NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
619105 |
5go0   |
36012 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5go0
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 737
_Distance_constraint_stats_list.Viol_count 2161
_Distance_constraint_stats_list.Viol_total 1240.627
_Distance_constraint_stats_list.Viol_max 0.314
_Distance_constraint_stats_list.Viol_rms 0.0170
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0042
_Distance_constraint_stats_list.Viol_average_violations_only 0.0287
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 9 MET 0.500 0.039 2 0 "[ . 1 . 2]"
1 10 LEU 1.496 0.091 18 0 "[ . 1 . 2]"
1 11 LEU 1.213 0.058 10 0 "[ . 1 . 2]"
1 12 LYS 2.004 0.065 1 0 "[ . 1 . 2]"
1 13 VAL 1.115 0.069 18 0 "[ . 1 . 2]"
1 14 LYS 2.527 0.050 3 0 "[ . 1 . 2]"
1 15 THR 0.011 0.005 7 0 "[ . 1 . 2]"
1 16 VAL 1.111 0.075 15 0 "[ . 1 . 2]"
1 17 SER 0.005 0.005 7 0 "[ . 1 . 2]"
1 18 ASN 0.003 0.002 1 0 "[ . 1 . 2]"
1 19 LYS 3.687 0.160 14 0 "[ . 1 . 2]"
1 20 VAL 3.646 0.160 14 0 "[ . 1 . 2]"
1 21 ILE 2.479 0.288 20 0 "[ . 1 . 2]"
1 22 GLN 4.498 0.314 17 0 "[ . 1 . 2]"
1 23 ILE 0.625 0.045 16 0 "[ . 1 . 2]"
1 24 THR 1.057 0.091 18 0 "[ . 1 . 2]"
1 25 SER 0.349 0.031 10 0 "[ . 1 . 2]"
1 26 LEU 0.296 0.141 18 0 "[ . 1 . 2]"
1 27 THR 0.361 0.139 18 0 "[ . 1 . 2]"
1 28 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ASP 2.463 0.072 19 0 "[ . 1 . 2]"
1 30 ASN 1.679 0.141 18 0 "[ . 1 . 2]"
1 31 THR 0.303 0.034 18 0 "[ . 1 . 2]"
1 32 ILE 4.215 0.116 4 0 "[ . 1 . 2]"
1 33 ALA 0.030 0.009 8 0 "[ . 1 . 2]"
1 34 GLU 0.662 0.040 2 0 "[ . 1 . 2]"
1 35 LEU 0.720 0.078 13 0 "[ . 1 . 2]"
1 36 LYS 2.245 0.098 10 0 "[ . 1 . 2]"
1 37 GLY 0.676 0.078 13 0 "[ . 1 . 2]"
1 38 LYS 0.088 0.023 8 0 "[ . 1 . 2]"
1 39 LEU 0.213 0.020 16 0 "[ . 1 . 2]"
1 40 GLU 0.406 0.033 15 0 "[ . 1 . 2]"
1 41 GLU 0.291 0.027 20 0 "[ . 1 . 2]"
1 42 SER 0.053 0.012 10 0 "[ . 1 . 2]"
1 43 GLU 0.440 0.028 20 0 "[ . 1 . 2]"
1 44 GLY 0.213 0.027 20 0 "[ . 1 . 2]"
1 45 ILE 0.773 0.303 15 0 "[ . 1 . 2]"
1 46 PRO 0.093 0.061 15 0 "[ . 1 . 2]"
1 47 GLY 3.793 0.303 15 0 "[ . 1 . 2]"
1 48 ASN 0.703 0.279 18 0 "[ . 1 . 2]"
1 49 MET 4.892 0.279 18 0 "[ . 1 . 2]"
1 50 ILE 1.652 0.058 18 0 "[ . 1 . 2]"
1 51 ARG 1.876 0.058 18 0 "[ . 1 . 2]"
1 52 LEU 1.853 0.069 17 0 "[ . 1 . 2]"
1 53 VAL 1.680 0.068 7 0 "[ . 1 . 2]"
1 54 TYR 1.002 0.199 7 0 "[ . 1 . 2]"
1 55 GLN 5.479 0.199 7 0 "[ . 1 . 2]"
1 56 GLY 3.694 0.139 8 0 "[ . 1 . 2]"
1 57 LYS 1.335 0.060 7 0 "[ . 1 . 2]"
1 58 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LEU 0.349 0.026 15 0 "[ . 1 . 2]"
1 60 GLU 0.993 0.039 6 0 "[ . 1 . 2]"
1 61 ASP 0.531 0.036 7 0 "[ . 1 . 2]"
1 62 GLU 1.445 0.086 18 0 "[ . 1 . 2]"
1 63 LYS 3.332 0.116 4 0 "[ . 1 . 2]"
1 64 ARG 3.856 0.091 8 0 "[ . 1 . 2]"
1 65 LEU 3.430 0.072 19 0 "[ . 1 . 2]"
1 66 LYS 2.280 0.091 8 0 "[ . 1 . 2]"
1 67 ASP 1.088 0.053 16 0 "[ . 1 . 2]"
1 68 TYR 2.247 0.124 5 0 "[ . 1 . 2]"
1 69 GLN 2.547 0.124 5 0 "[ . 1 . 2]"
1 70 MET 3.134 0.119 16 0 "[ . 1 . 2]"
1 71 SER 4.693 0.144 19 0 "[ . 1 . 2]"
1 72 ALA 3.349 0.144 19 0 "[ . 1 . 2]"
1 73 GLY 0.288 0.048 16 0 "[ . 1 . 2]"
1 74 ALA 1.341 0.065 1 0 "[ . 1 . 2]"
1 75 THR 0.812 0.039 9 0 "[ . 1 . 2]"
1 76 PHE 2.385 0.069 17 0 "[ . 1 . 2]"
1 77 HIS 1.189 0.069 18 0 "[ . 1 . 2]"
1 78 MET 3.408 0.075 15 0 "[ . 1 . 2]"
1 79 VAL 1.613 0.053 18 0 "[ . 1 . 2]"
1 80 VAL 1.138 0.084 8 0 "[ . 1 . 2]"
1 81 ALA 0.796 0.040 12 0 "[ . 1 . 2]"
1 82 LEU 0.266 0.037 6 0 "[ . 1 . 2]"
1 83 ARG 0.062 0.038 6 0 "[ . 1 . 2]"
1 84 ALA 0.038 0.038 6 0 "[ . 1 . 2]"
1 85 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 MET H 1 9 MET HB2 1.800 . 3.000 2.220 2.180 2.400 . 0 0 "[ . 1 . 2]" 1
2 1 9 MET H 1 9 MET HB3 1.800 . 3.000 2.929 2.823 2.996 . 0 0 "[ . 1 . 2]" 1
3 1 9 MET HA 1 10 LEU H 1.800 . 3.600 3.569 3.564 3.571 . 0 0 "[ . 1 . 2]" 1
4 1 9 MET HA 1 71 SER H 1.800 . 5.300 5.315 5.257 5.339 0.039 2 0 "[ . 1 . 2]" 1
5 1 9 MET HB3 1 10 LEU H 1.800 . 3.000 1.984 1.945 2.023 . 0 0 "[ . 1 . 2]" 1
6 1 9 MET HB3 1 72 ALA H 1.800 . 6.000 5.997 5.900 6.015 0.015 2 0 "[ . 1 . 2]" 1
7 1 10 LEU H 1 10 LEU HB2 1.800 . 3.300 2.989 2.929 3.151 . 0 0 "[ . 1 . 2]" 1
8 1 10 LEU H 1 10 LEU HB3 1.800 . 3.000 2.417 2.304 2.469 . 0 0 "[ . 1 . 2]" 1
9 1 10 LEU H 1 10 LEU QD 1.800 . 4.300 3.619 3.449 3.695 . 0 0 "[ . 1 . 2]" 1
10 1 10 LEU H 1 11 LEU H 1.800 . 4.500 4.428 4.413 4.459 . 0 0 "[ . 1 . 2]" 1
11 1 10 LEU H 1 24 THR HA 1.800 . 4.200 4.247 4.231 4.291 0.091 18 0 "[ . 1 . 2]" 1
12 1 10 LEU H 1 71 SER HA 1.800 . 3.000 2.134 2.039 2.312 . 0 0 "[ . 1 . 2]" 1
13 1 10 LEU HA 1 11 LEU H 1.800 . 3.000 2.150 2.145 2.157 . 0 0 "[ . 1 . 2]" 1
14 1 10 LEU HB2 1 25 SER H 1.800 . 4.700 4.700 4.603 4.731 0.031 10 0 "[ . 1 . 2]" 1
15 1 10 LEU HB3 1 11 LEU H 1.800 . 4.300 4.268 4.223 4.358 0.058 10 0 "[ . 1 . 2]" 1
16 1 10 LEU HB3 1 72 ALA H 1.800 . 5.300 5.310 5.301 5.322 0.022 13 0 "[ . 1 . 2]" 1
17 1 10 LEU QD 1 11 LEU H 1.800 . 4.000 3.278 3.169 3.402 . 0 0 "[ . 1 . 2]" 1
18 1 10 LEU QD 1 23 ILE H 1.800 . 4.600 4.131 3.981 4.360 . 0 0 "[ . 1 . 2]" 1
19 1 10 LEU QD 1 73 GLY H 1.800 . 6.500 4.337 3.981 4.508 . 0 0 "[ . 1 . 2]" 1
20 1 10 LEU HG 1 11 LEU H 1.800 . 3.000 2.743 2.616 2.846 . 0 0 "[ . 1 . 2]" 1
21 1 11 LEU H 1 11 LEU HA 1.800 . 3.000 2.928 2.927 2.929 . 0 0 "[ . 1 . 2]" 1
22 1 11 LEU H 1 23 ILE H 1.800 . 3.300 3.305 3.184 3.325 0.025 9 0 "[ . 1 . 2]" 1
23 1 11 LEU H 1 23 ILE QG 1.800 . 3.100 2.937 2.841 3.093 . 0 0 "[ . 1 . 2]" 1
24 1 11 LEU HA 1 12 LYS H 1.800 . 3.000 2.263 2.261 2.270 . 0 0 "[ . 1 . 2]" 1
25 1 11 LEU HB2 1 12 LYS H 1.800 . 3.000 2.876 2.870 2.888 . 0 0 "[ . 1 . 2]" 1
26 1 11 LEU HB2 1 13 VAL H 1.800 . 5.500 5.487 5.464 5.530 0.030 14 0 "[ . 1 . 2]" 1
27 1 11 LEU HB2 1 72 ALA H 1.800 . 5.500 5.504 5.416 5.527 0.027 16 0 "[ . 1 . 2]" 1
28 1 11 LEU HB3 1 12 LYS H 1.800 . 4.100 4.123 4.117 4.132 0.032 16 0 "[ . 1 . 2]" 1
29 1 11 LEU HB3 1 23 ILE H 1.800 . 5.800 5.771 5.597 5.813 0.013 9 0 "[ . 1 . 2]" 1
30 1 11 LEU QD 1 24 THR H 1.800 . 5.800 5.088 5.011 5.199 . 0 0 "[ . 1 . 2]" 1
31 1 11 LEU QD 1 25 SER H 1.800 . 4.400 3.751 3.650 4.056 . 0 0 "[ . 1 . 2]" 1
32 1 12 LYS H 1 12 LYS HA 1.800 . 3.000 2.947 2.945 2.948 . 0 0 "[ . 1 . 2]" 1
33 1 12 LYS H 1 12 LYS HB2 1.800 . 3.300 3.074 3.003 3.152 . 0 0 "[ . 1 . 2]" 1
34 1 12 LYS H 1 12 LYS HB3 1.800 . 3.000 2.513 2.474 2.563 . 0 0 "[ . 1 . 2]" 1
35 1 12 LYS H 1 12 LYS QE 1.800 . 5.300 4.839 4.225 5.291 . 0 0 "[ . 1 . 2]" 1
36 1 12 LYS H 1 13 VAL H 1.800 . 4.300 4.235 4.219 4.249 . 0 0 "[ . 1 . 2]" 1
37 1 12 LYS H 1 13 VAL QG 1.800 . 4.500 4.057 3.974 4.174 . 0 0 "[ . 1 . 2]" 1
38 1 12 LYS H 1 22 GLN HA 1.800 . 4.800 4.782 4.631 4.833 0.033 14 0 "[ . 1 . 2]" 1
39 1 12 LYS H 1 74 ALA H 1.800 . 5.300 5.134 5.077 5.182 . 0 0 "[ . 1 . 2]" 1
40 1 12 LYS H 1 74 ALA HA 1.800 . 3.300 2.983 2.905 3.049 . 0 0 "[ . 1 . 2]" 1
41 1 12 LYS H 1 75 THR HB 1.800 . 5.400 5.401 5.343 5.420 0.020 19 0 "[ . 1 . 2]" 1
42 1 12 LYS H 1 75 THR MG 1.800 . 5.800 5.125 4.995 5.190 . 0 0 "[ . 1 . 2]" 1
43 1 12 LYS HA 1 13 VAL H 1.800 . 3.000 2.145 2.144 2.147 . 0 0 "[ . 1 . 2]" 1
44 1 12 LYS HA 1 21 ILE H 1.800 . 4.700 4.507 4.450 4.590 . 0 0 "[ . 1 . 2]" 1
45 1 12 LYS HA 1 22 GLN QE 1.800 . 6.000 5.754 5.474 5.956 . 0 0 "[ . 1 . 2]" 1
46 1 12 LYS HA 1 23 ILE H 1.800 . 3.600 3.595 3.515 3.645 0.045 16 0 "[ . 1 . 2]" 1
47 1 12 LYS HB2 1 13 VAL H 1.800 . 4.400 4.333 4.292 4.369 . 0 0 "[ . 1 . 2]" 1
48 1 12 LYS HB3 1 74 ALA H 1.800 . 5.400 5.448 5.436 5.465 0.065 1 0 "[ . 1 . 2]" 1
49 1 12 LYS QE 1 22 GLN QE 1.800 . 6.300 5.635 4.112 6.303 0.003 2 0 "[ . 1 . 2]" 1
50 1 12 LYS QG 1 22 GLN QE 1.800 . 5.800 5.736 5.245 5.811 0.011 2 0 "[ . 1 . 2]" 1
51 1 13 VAL H 1 13 VAL HA 1.800 . 3.000 2.938 2.936 2.942 . 0 0 "[ . 1 . 2]" 1
52 1 13 VAL H 1 13 VAL HB 1.800 . 3.800 3.706 3.699 3.715 . 0 0 "[ . 1 . 2]" 1
53 1 13 VAL H 1 13 VAL QG 1.800 . 3.000 1.898 1.869 1.938 . 0 0 "[ . 1 . 2]" 1
54 1 13 VAL H 1 14 LYS HA 1.800 . 5.300 5.114 5.073 5.139 . 0 0 "[ . 1 . 2]" 1
55 1 13 VAL H 1 14 LYS HB3 1.800 . 5.500 5.464 5.346 5.522 0.022 14 0 "[ . 1 . 2]" 1
56 1 13 VAL H 1 21 ILE H 1.800 . 3.300 3.225 3.183 3.312 0.012 17 0 "[ . 1 . 2]" 1
57 1 13 VAL H 1 21 ILE HA 1.800 . 5.100 5.041 5.019 5.064 . 0 0 "[ . 1 . 2]" 1
58 1 13 VAL H 1 21 ILE MG 1.800 . 4.600 4.432 4.331 4.581 . 0 0 "[ . 1 . 2]" 1
59 1 13 VAL H 1 22 GLN H 1.800 . 5.100 5.053 4.836 5.108 0.008 19 0 "[ . 1 . 2]" 1
60 1 13 VAL HA 1 14 LYS H 1.800 . 3.000 2.153 2.146 2.164 . 0 0 "[ . 1 . 2]" 1
61 1 13 VAL HA 1 76 PHE H 1.800 . 4.800 4.684 4.666 4.710 . 0 0 "[ . 1 . 2]" 1
62 1 13 VAL HA 1 77 HIS H 1.800 . 4.400 4.434 4.409 4.469 0.069 18 0 "[ . 1 . 2]" 1
63 1 13 VAL HB 1 14 LYS H 1.800 . 3.300 3.240 3.151 3.293 . 0 0 "[ . 1 . 2]" 1
64 1 13 VAL HB 1 76 PHE H 1.800 . 5.800 5.812 5.726 5.823 0.023 4 0 "[ . 1 . 2]" 1
65 1 13 VAL QG 1 14 LYS H 1.800 . 4.600 3.539 3.503 3.562 . 0 0 "[ . 1 . 2]" 1
66 1 13 VAL QG 1 75 THR H 1.800 . 4.800 3.942 3.827 3.994 . 0 0 "[ . 1 . 2]" 1
67 1 13 VAL QG 1 76 PHE H 1.800 . 5.300 4.796 4.735 4.861 . 0 0 "[ . 1 . 2]" 1
68 1 13 VAL QG 1 77 HIS H 1.800 . 5.300 4.543 4.514 4.587 . 0 0 "[ . 1 . 2]" 1
69 1 14 LYS H 1 14 LYS HA 1.800 . 3.000 2.945 2.943 2.947 . 0 0 "[ . 1 . 2]" 1
70 1 14 LYS H 1 14 LYS HB2 1.800 . 3.800 3.742 3.712 3.813 0.013 17 0 "[ . 1 . 2]" 1
71 1 14 LYS H 1 14 LYS HB3 1.800 . 3.300 3.308 3.163 3.342 0.042 2 0 "[ . 1 . 2]" 1
72 1 14 LYS H 1 14 LYS QD 1.800 . 4.000 3.504 2.910 4.043 0.043 11 0 "[ . 1 . 2]" 1
73 1 14 LYS H 1 21 ILE H 1.800 . 4.900 4.905 4.886 4.924 0.024 18 0 "[ . 1 . 2]" 1
74 1 14 LYS H 1 75 THR H 1.800 . 4.400 4.395 4.368 4.435 0.035 17 0 "[ . 1 . 2]" 1
75 1 14 LYS H 1 75 THR MG 1.800 . 5.800 5.118 5.062 5.163 . 0 0 "[ . 1 . 2]" 1
76 1 14 LYS H 1 76 PHE H 1.800 . 4.500 4.487 4.467 4.519 0.019 7 0 "[ . 1 . 2]" 1
77 1 14 LYS H 1 76 PHE HA 1.800 . 3.000 2.356 2.338 2.375 . 0 0 "[ . 1 . 2]" 1
78 1 14 LYS H 1 76 PHE HB3 1.800 . 5.300 5.286 5.260 5.350 0.050 3 0 "[ . 1 . 2]" 1
79 1 14 LYS H 1 77 HIS H 1.800 . 3.000 2.973 2.886 3.004 0.004 1 0 "[ . 1 . 2]" 1
80 1 14 LYS H 1 77 HIS HA 1.800 . 5.700 5.646 5.553 5.690 . 0 0 "[ . 1 . 2]" 1
81 1 14 LYS HA 1 15 THR H 1.800 . 3.000 2.141 2.140 2.142 . 0 0 "[ . 1 . 2]" 1
82 1 14 LYS HA 1 16 VAL H 1.800 . 6.500 6.386 6.383 6.390 . 0 0 "[ . 1 . 2]" 1
83 1 14 LYS HA 1 17 SER H 1.800 . 6.500 6.384 6.365 6.403 . 0 0 "[ . 1 . 2]" 1
84 1 14 LYS HA 1 18 ASN H 1.800 . 6.100 6.036 6.015 6.062 . 0 0 "[ . 1 . 2]" 1
85 1 14 LYS HA 1 19 LYS H 1.800 . 4.400 4.428 4.411 4.448 0.048 17 0 "[ . 1 . 2]" 1
86 1 14 LYS HA 1 20 VAL H 1.800 . 4.400 4.408 4.398 4.423 0.023 17 0 "[ . 1 . 2]" 1
87 1 14 LYS HA 1 21 ILE H 1.800 . 3.600 3.514 3.445 3.547 . 0 0 "[ . 1 . 2]" 1
88 1 14 LYS HB2 1 77 HIS H 1.800 . 5.200 4.954 4.872 5.101 . 0 0 "[ . 1 . 2]" 1
89 1 14 LYS HB3 1 77 HIS H 1.800 . 5.500 5.503 5.367 5.534 0.034 2 0 "[ . 1 . 2]" 1
90 1 14 LYS QG 1 15 THR H 1.800 . 4.800 4.365 4.180 4.431 . 0 0 "[ . 1 . 2]" 1
91 1 14 LYS QG 1 19 LYS H 1.800 . 6.500 6.144 5.859 6.342 . 0 0 "[ . 1 . 2]" 1
92 1 14 LYS QG 1 75 THR H 1.800 . 4.500 4.363 4.010 4.536 0.036 9 0 "[ . 1 . 2]" 1
93 1 15 THR H 1 19 LYS H 1.800 . 3.100 3.075 3.034 3.102 0.002 7 0 "[ . 1 . 2]" 1
94 1 15 THR H 1 20 VAL HA 1.800 . 3.800 3.678 3.652 3.704 . 0 0 "[ . 1 . 2]" 1
95 1 15 THR HA 1 16 VAL H 1.800 . 3.000 2.482 2.471 2.498 . 0 0 "[ . 1 . 2]" 1
96 1 15 THR HA 1 17 SER H 1.800 . 4.000 3.992 3.982 4.005 0.005 7 0 "[ . 1 . 2]" 1
97 1 15 THR HA 1 18 ASN H 1.800 . 5.200 5.192 5.175 5.202 0.002 1 0 "[ . 1 . 2]" 1
98 1 15 THR HA 1 19 LYS H 1.800 . 5.000 4.963 4.930 4.996 . 0 0 "[ . 1 . 2]" 1
99 1 15 THR HA 1 78 MET H 1.800 . 5.000 4.858 4.794 4.899 . 0 0 "[ . 1 . 2]" 1
100 1 15 THR MG 1 18 ASN H 1.800 . 5.800 5.201 4.884 5.431 . 0 0 "[ . 1 . 2]" 1
101 1 16 VAL H 1 16 VAL HA 1.800 . 3.000 2.840 2.839 2.842 . 0 0 "[ . 1 . 2]" 1
102 1 16 VAL H 1 16 VAL HB 1.800 . 3.000 2.518 2.505 2.524 . 0 0 "[ . 1 . 2]" 1
103 1 16 VAL H 1 16 VAL QG 1.800 . 3.000 2.105 2.078 2.165 . 0 0 "[ . 1 . 2]" 1
104 1 16 VAL H 1 17 SER H 1.800 . 3.000 2.585 2.579 2.589 . 0 0 "[ . 1 . 2]" 1
105 1 16 VAL H 1 17 SER HA 1.800 . 5.300 5.126 5.119 5.131 . 0 0 "[ . 1 . 2]" 1
106 1 16 VAL H 1 17 SER HB2 1.800 . 4.500 4.392 4.328 4.470 . 0 0 "[ . 1 . 2]" 1
107 1 16 VAL H 1 18 ASN H 1.800 . 4.400 4.383 4.378 4.386 . 0 0 "[ . 1 . 2]" 1
108 1 16 VAL H 1 19 LYS HB2 1.800 . 5.900 5.873 5.834 5.900 0.000 20 0 "[ . 1 . 2]" 1
109 1 16 VAL H 1 78 MET H 1.800 . 5.300 5.243 5.143 5.305 0.005 11 0 "[ . 1 . 2]" 1
110 1 16 VAL H 1 78 MET HB3 1.800 . 6.300 6.181 6.130 6.221 . 0 0 "[ . 1 . 2]" 1
111 1 16 VAL H 1 78 MET HG3 1.800 . 5.100 5.155 5.136 5.175 0.075 15 0 "[ . 1 . 2]" 1
112 1 16 VAL HA 1 17 SER H 1.800 . 3.400 3.354 3.352 3.356 . 0 0 "[ . 1 . 2]" 1
113 1 16 VAL HA 1 79 VAL H 1.800 . 5.500 5.317 5.121 5.481 . 0 0 "[ . 1 . 2]" 1
114 1 16 VAL HB 1 17 SER H 1.800 . 4.300 4.214 4.205 4.218 . 0 0 "[ . 1 . 2]" 1
115 1 16 VAL HB 1 18 ASN H 1.800 . 5.400 5.380 5.376 5.388 . 0 0 "[ . 1 . 2]" 1
116 1 16 VAL QG 1 17 SER H 1.800 . 3.000 2.621 2.507 2.699 . 0 0 "[ . 1 . 2]" 1
117 1 16 VAL QG 1 79 VAL H 1.800 . 3.000 2.236 2.087 2.384 . 0 0 "[ . 1 . 2]" 1
118 1 17 SER H 1 17 SER HA 1.800 . 3.000 2.902 2.900 2.904 . 0 0 "[ . 1 . 2]" 1
119 1 17 SER H 1 17 SER HB2 1.800 . 3.000 2.178 2.156 2.220 . 0 0 "[ . 1 . 2]" 1
120 1 17 SER H 1 18 ASN H 1.800 . 3.000 2.631 2.624 2.635 . 0 0 "[ . 1 . 2]" 1
121 1 17 SER H 1 18 ASN HB2 1.800 . 5.300 5.293 5.287 5.299 . 0 0 "[ . 1 . 2]" 1
122 1 17 SER H 1 19 LYS H 1.800 . 3.500 3.408 3.402 3.412 . 0 0 "[ . 1 . 2]" 1
123 1 17 SER H 1 19 LYS HB2 1.800 . 4.300 4.279 4.256 4.292 . 0 0 "[ . 1 . 2]" 1
124 1 17 SER HA 1 18 ASN H 1.800 . 3.300 3.127 3.124 3.129 . 0 0 "[ . 1 . 2]" 1
125 1 17 SER HA 1 18 ASN QD 1.800 . 5.300 5.051 4.932 5.202 . 0 0 "[ . 1 . 2]" 1
126 1 17 SER HA 1 19 LYS H 1.800 . 4.800 4.650 4.639 4.661 . 0 0 "[ . 1 . 2]" 1
127 1 17 SER HB2 1 19 LYS H 1.800 . 4.000 3.841 3.695 3.970 . 0 0 "[ . 1 . 2]" 1
128 1 18 ASN H 1 18 ASN HA 1.800 . 3.000 2.277 2.276 2.277 . 0 0 "[ . 1 . 2]" 1
129 1 18 ASN H 1 18 ASN HB2 1.800 . 3.300 3.132 3.127 3.138 . 0 0 "[ . 1 . 2]" 1
130 1 18 ASN H 1 19 LYS H 1.800 . 3.000 2.559 2.553 2.564 . 0 0 "[ . 1 . 2]" 1
131 1 18 ASN H 1 19 LYS HG3 1.800 . 4.500 4.441 4.378 4.487 . 0 0 "[ . 1 . 2]" 1
132 1 18 ASN HA 1 18 ASN QD 1.800 . 3.800 2.881 2.107 3.511 . 0 0 "[ . 1 . 2]" 1
133 1 18 ASN HB2 1 18 ASN QD 1.800 . 3.000 2.261 2.096 2.582 . 0 0 "[ . 1 . 2]" 1
134 1 18 ASN HB2 1 19 LYS H 1.800 . 4.400 4.373 4.361 4.391 . 0 0 "[ . 1 . 2]" 1
135 1 19 LYS H 1 19 LYS HA 1.800 . 3.000 2.942 2.942 2.943 . 0 0 "[ . 1 . 2]" 1
136 1 19 LYS H 1 19 LYS HB2 1.800 . 3.000 2.475 2.461 2.494 . 0 0 "[ . 1 . 2]" 1
137 1 19 LYS H 1 19 LYS QD 1.800 . 4.800 4.140 3.919 4.218 . 0 0 "[ . 1 . 2]" 1
138 1 19 LYS H 1 20 VAL H 1.800 . 4.000 4.156 4.151 4.160 0.160 14 0 "[ . 1 . 2]" 1
139 1 19 LYS H 1 20 VAL MG2 1.800 . 4.100 3.948 3.893 4.024 . 0 0 "[ . 1 . 2]" 1
140 1 19 LYS HB3 1 20 VAL H 1.800 . 3.900 3.784 3.779 3.788 . 0 0 "[ . 1 . 2]" 1
141 1 19 LYS QD 1 20 VAL H 1.800 . 6.200 5.657 5.546 5.874 . 0 0 "[ . 1 . 2]" 1
142 1 19 LYS QG 1 20 VAL H 1.800 . 4.600 4.269 4.250 4.290 . 0 0 "[ . 1 . 2]" 1
143 1 20 VAL H 1 21 ILE H 1.800 . 4.400 4.419 4.405 4.438 0.038 15 0 "[ . 1 . 2]" 1
144 1 20 VAL HA 1 21 ILE H 1.800 . 3.000 2.150 2.145 2.156 . 0 0 "[ . 1 . 2]" 1
145 1 20 VAL HB 1 21 ILE H 1.800 . 4.300 4.116 4.081 4.167 . 0 0 "[ . 1 . 2]" 1
146 1 20 VAL MG2 1 21 ILE H 1.800 . 4.800 4.124 4.078 4.146 . 0 0 "[ . 1 . 2]" 1
147 1 21 ILE H 1 21 ILE HA 1.800 . 3.000 2.945 2.939 2.947 . 0 0 "[ . 1 . 2]" 1
148 1 21 ILE H 1 21 ILE HB 1.800 . 3.000 2.687 2.635 2.751 . 0 0 "[ . 1 . 2]" 1
149 1 21 ILE H 1 21 ILE MD 1.800 . 4.600 3.763 3.718 3.863 . 0 0 "[ . 1 . 2]" 1
150 1 21 ILE H 1 21 ILE QG 1.800 . 3.300 2.927 2.863 3.001 . 0 0 "[ . 1 . 2]" 1
151 1 21 ILE H 1 22 GLN H 1.800 . 4.300 4.188 4.139 4.218 . 0 0 "[ . 1 . 2]" 1
152 1 21 ILE HA 1 22 GLN H 1.800 . 3.000 2.141 2.140 2.142 . 0 0 "[ . 1 . 2]" 1
153 1 21 ILE HA 1 22 GLN QE 1.800 . 5.500 5.580 5.507 5.788 0.288 20 0 "[ . 1 . 2]" 1
154 1 21 ILE HB 1 22 GLN H 1.800 . 4.400 4.317 4.309 4.344 . 0 0 "[ . 1 . 2]" 1
155 1 21 ILE MD 1 22 GLN H 1.800 . 3.500 3.502 3.453 3.515 0.015 2 0 "[ . 1 . 2]" 1
156 1 21 ILE MD 1 22 GLN QE 1.800 . 6.100 6.019 5.902 6.138 0.038 20 0 "[ . 1 . 2]" 1
157 1 21 ILE QG 1 22 GLN H 1.800 . 5.000 4.722 4.693 4.729 . 0 0 "[ . 1 . 2]" 1
158 1 21 ILE MG 1 22 GLN H 1.800 . 3.300 2.791 2.652 2.900 . 0 0 "[ . 1 . 2]" 1
159 1 21 ILE MG 1 23 ILE H 1.800 . 4.300 3.944 3.842 4.161 . 0 0 "[ . 1 . 2]" 1
160 1 22 GLN H 1 22 GLN HA 1.800 . 3.000 2.937 2.934 2.941 . 0 0 "[ . 1 . 2]" 1
161 1 22 GLN H 1 22 GLN HB2 1.800 . 3.500 3.173 2.983 3.637 0.137 20 0 "[ . 1 . 2]" 1
162 1 22 GLN H 1 22 GLN HB3 1.800 . 3.000 2.609 2.353 3.314 0.314 17 0 "[ . 1 . 2]" 1
163 1 22 GLN H 1 23 ILE H 1.800 . 4.400 4.333 4.297 4.419 0.019 17 0 "[ . 1 . 2]" 1
164 1 22 GLN HA 1 23 ILE H 1.800 . 3.000 2.141 2.139 2.151 . 0 0 "[ . 1 . 2]" 1
165 1 22 GLN HB2 1 22 GLN QE 1.800 . 3.600 3.106 2.006 3.474 . 0 0 "[ . 1 . 2]" 1
166 1 22 GLN HB3 1 22 GLN QE 1.800 . 3.300 2.406 1.881 3.521 0.221 19 0 "[ . 1 . 2]" 1
167 1 22 GLN HB3 1 23 ILE H 1.800 . 4.400 4.330 3.925 4.415 0.015 6 0 "[ . 1 . 2]" 1
168 1 22 GLN QE 1 24 THR HA 1.800 . 6.500 5.830 5.433 6.518 0.018 18 0 "[ . 1 . 2]" 1
169 1 22 GLN QE 1 24 THR MG 1.800 . 5.000 4.169 3.359 4.716 . 0 0 "[ . 1 . 2]" 1
170 1 23 ILE H 1 23 ILE HA 1.800 . 3.000 2.948 2.947 2.949 . 0 0 "[ . 1 . 2]" 1
171 1 23 ILE H 1 23 ILE HB 1.800 . 3.800 3.754 3.731 3.773 . 0 0 "[ . 1 . 2]" 1
172 1 23 ILE HA 1 24 THR H 1.800 . 3.000 2.296 2.267 2.299 . 0 0 "[ . 1 . 2]" 1
173 1 23 ILE HA 1 25 SER H 1.800 . 4.800 4.670 4.656 4.704 . 0 0 "[ . 1 . 2]" 1
174 1 23 ILE HB 1 25 SER H 1.800 . 3.300 3.273 3.182 3.319 0.019 20 0 "[ . 1 . 2]" 1
175 1 23 ILE MG 1 25 SER H 1.800 . 5.600 4.763 4.708 4.786 . 0 0 "[ . 1 . 2]" 1
176 1 24 THR H 1 24 THR HA 1.800 . 3.000 2.949 2.947 2.949 . 0 0 "[ . 1 . 2]" 1
177 1 24 THR H 1 24 THR MG 1.800 . 3.000 2.155 1.924 2.770 . 0 0 "[ . 1 . 2]" 1
178 1 24 THR H 1 25 SER H 1.800 . 3.300 3.229 3.142 3.310 0.010 17 0 "[ . 1 . 2]" 1
179 1 24 THR HA 1 25 SER H 1.800 . 3.000 2.570 2.548 2.578 . 0 0 "[ . 1 . 2]" 1
180 1 24 THR MG 1 25 SER H 1.800 . 4.300 4.002 3.928 4.324 0.024 16 0 "[ . 1 . 2]" 1
181 1 25 SER H 1 25 SER HA 1.800 . 3.000 2.831 2.825 2.846 . 0 0 "[ . 1 . 2]" 1
182 1 25 SER H 1 25 SER HB2 1.800 . 3.800 3.664 3.574 3.712 . 0 0 "[ . 1 . 2]" 1
183 1 25 SER H 1 25 SER HB3 1.800 . 3.100 3.040 2.988 3.081 . 0 0 "[ . 1 . 2]" 1
184 1 25 SER H 1 26 LEU H 1.800 . 3.300 3.167 3.120 3.208 . 0 0 "[ . 1 . 2]" 1
185 1 25 SER H 1 26 LEU HA 1.800 . 4.400 4.332 4.328 4.344 . 0 0 "[ . 1 . 2]" 1
186 1 26 LEU H 1 26 LEU HA 1.800 . 3.000 2.941 2.940 2.942 . 0 0 "[ . 1 . 2]" 1
187 1 26 LEU H 1 26 LEU HB2 1.800 . 3.000 2.317 2.278 2.434 . 0 0 "[ . 1 . 2]" 1
188 1 26 LEU H 1 27 THR H 1.800 . 4.600 4.533 4.529 4.535 . 0 0 "[ . 1 . 2]" 1
189 1 26 LEU HA 1 27 THR H 1.800 . 3.000 2.298 2.295 2.314 . 0 0 "[ . 1 . 2]" 1
190 1 26 LEU HB2 1 27 THR H 1.800 . 4.200 4.162 4.070 4.180 . 0 0 "[ . 1 . 2]" 1
191 1 26 LEU HB3 1 27 THR H 1.800 . 3.100 3.042 2.787 3.239 0.139 18 0 "[ . 1 . 2]" 1
192 1 26 LEU QD 1 27 THR H 1.800 . 3.000 2.029 1.855 3.003 0.003 18 0 "[ . 1 . 2]" 1
193 1 26 LEU QD 1 30 ASN H 1.800 . 6.000 5.293 5.091 6.141 0.141 18 0 "[ . 1 . 2]" 1
194 1 26 LEU QD 1 31 THR H 1.800 . 6.300 3.820 3.625 4.749 . 0 0 "[ . 1 . 2]" 1
195 1 27 THR H 1 27 THR HB 1.800 . 3.000 3.004 2.996 3.010 0.010 14 0 "[ . 1 . 2]" 1
196 1 27 THR H 1 27 THR MG 1.800 . 4.300 3.675 3.665 3.689 . 0 0 "[ . 1 . 2]" 1
197 1 27 THR H 1 28 ASP H 1.800 . 4.600 4.540 4.528 4.551 . 0 0 "[ . 1 . 2]" 1
198 1 27 THR H 1 29 ASP H 1.800 . 5.300 5.280 5.234 5.308 0.008 13 0 "[ . 1 . 2]" 1
199 1 27 THR H 1 30 ASN H 1.800 . 5.400 5.396 5.335 5.422 0.022 13 0 "[ . 1 . 2]" 1
200 1 27 THR HA 1 28 ASP H 1.800 . 3.000 2.561 2.538 2.572 . 0 0 "[ . 1 . 2]" 1
201 1 27 THR HB 1 28 ASP H 1.800 . 3.000 2.697 2.667 2.751 . 0 0 "[ . 1 . 2]" 1
202 1 27 THR MG 1 28 ASP H 1.800 . 3.000 1.995 1.918 2.068 . 0 0 "[ . 1 . 2]" 1
203 1 27 THR MG 1 29 ASP H 1.800 . 3.000 2.312 2.131 2.442 . 0 0 "[ . 1 . 2]" 1
204 1 28 ASP H 1 28 ASP QB 1.800 . 3.500 3.087 2.728 3.153 . 0 0 "[ . 1 . 2]" 1
205 1 28 ASP H 1 29 ASP H 1.800 . 3.000 1.905 1.894 1.930 . 0 0 "[ . 1 . 2]" 1
206 1 28 ASP H 1 30 ASN H 1.800 . 4.000 3.959 3.933 3.999 . 0 0 "[ . 1 . 2]" 1
207 1 28 ASP H 1 31 THR H 1.800 . 4.800 4.710 4.654 4.769 . 0 0 "[ . 1 . 2]" 1
208 1 28 ASP HA 1 29 ASP H 1.800 . 3.300 3.275 3.264 3.284 . 0 0 "[ . 1 . 2]" 1
209 1 28 ASP HA 1 30 ASN H 1.800 . 4.800 4.651 4.600 4.691 . 0 0 "[ . 1 . 2]" 1
210 1 28 ASP QB 1 29 ASP H 1.800 . 4.100 3.763 3.737 3.816 . 0 0 "[ . 1 . 2]" 1
211 1 29 ASP H 1 29 ASP HA 1.800 . 3.000 2.918 2.916 2.920 . 0 0 "[ . 1 . 2]" 1
212 1 29 ASP H 1 29 ASP HB2 1.800 . 3.000 2.526 2.419 2.556 . 0 0 "[ . 1 . 2]" 1
213 1 29 ASP H 1 29 ASP HB3 1.800 . 3.800 3.657 3.632 3.663 . 0 0 "[ . 1 . 2]" 1
214 1 29 ASP H 1 30 ASN H 1.800 . 3.000 2.344 2.328 2.352 . 0 0 "[ . 1 . 2]" 1
215 1 29 ASP H 1 30 ASN HA 1.800 . 5.000 4.944 4.934 4.954 . 0 0 "[ . 1 . 2]" 1
216 1 29 ASP H 1 30 ASN HB2 1.800 . 4.800 4.633 4.622 4.652 . 0 0 "[ . 1 . 2]" 1
217 1 29 ASP H 1 65 LEU HB2 1.800 . 5.400 5.455 5.437 5.472 0.072 19 0 "[ . 1 . 2]" 1
218 1 29 ASP H 1 65 LEU HG 1.800 . 5.100 5.153 5.143 5.165 0.065 18 0 "[ . 1 . 2]" 1
219 1 29 ASP HA 1 30 ASN H 1.800 . 3.600 3.555 3.551 3.557 . 0 0 "[ . 1 . 2]" 1
220 1 29 ASP HB2 1 30 ASN H 1.800 . 3.000 2.448 2.423 2.487 . 0 0 "[ . 1 . 2]" 1
221 1 29 ASP HB2 1 30 ASN QD 1.800 . 6.300 4.450 3.076 5.653 . 0 0 "[ . 1 . 2]" 1
222 1 29 ASP HB2 1 31 THR H 1.800 . 4.400 4.412 4.381 4.434 0.034 18 0 "[ . 1 . 2]" 1
223 1 29 ASP HB3 1 30 ASN H 1.800 . 3.600 3.585 3.456 3.604 0.004 9 0 "[ . 1 . 2]" 1
224 1 30 ASN H 1 30 ASN HA 1.800 . 3.000 2.947 2.947 2.948 . 0 0 "[ . 1 . 2]" 1
225 1 30 ASN H 1 30 ASN HB2 1.800 . 3.000 2.426 2.410 2.448 . 0 0 "[ . 1 . 2]" 1
226 1 30 ASN H 1 31 THR H 1.800 . 3.000 2.139 2.104 2.164 . 0 0 "[ . 1 . 2]" 1
227 1 30 ASN H 1 31 THR HA 1.800 . 4.300 4.258 4.227 4.283 . 0 0 "[ . 1 . 2]" 1
228 1 30 ASN H 1 33 ALA MB 1.800 . 6.000 5.355 5.292 5.406 . 0 0 "[ . 1 . 2]" 1
229 1 30 ASN H 1 34 GLU HB2 1.800 . 3.800 3.812 3.798 3.840 0.040 15 0 "[ . 1 . 2]" 1
230 1 30 ASN H 1 64 ARG HB3 1.800 . 4.400 4.418 4.363 4.443 0.043 11 0 "[ . 1 . 2]" 1
231 1 30 ASN H 1 64 ARG HG3 1.800 . 5.000 5.000 4.984 5.013 0.013 14 0 "[ . 1 . 2]" 1
232 1 30 ASN H 1 65 LEU HA 1.800 . 5.800 5.730 5.639 5.783 . 0 0 "[ . 1 . 2]" 1
233 1 30 ASN H 1 65 LEU HB2 1.800 . 6.200 6.193 6.138 6.222 0.022 17 0 "[ . 1 . 2]" 1
234 1 30 ASN HA 1 30 ASN QD 1.800 . 3.000 2.271 2.121 2.409 . 0 0 "[ . 1 . 2]" 1
235 1 30 ASN HA 1 31 THR H 1.800 . 3.800 3.560 3.557 3.562 . 0 0 "[ . 1 . 2]" 1
236 1 30 ASN HA 1 34 GLU H 1.800 . 4.400 4.361 4.303 4.410 0.010 6 0 "[ . 1 . 2]" 1
237 1 30 ASN HB2 1 31 THR H 1.800 . 3.000 2.705 2.665 2.775 . 0 0 "[ . 1 . 2]" 1
238 1 30 ASN HB2 1 34 GLU H 1.800 . 3.600 3.401 3.333 3.481 . 0 0 "[ . 1 . 2]" 1
239 1 30 ASN QD 1 34 GLU HA 1.800 . 5.800 5.534 5.236 5.840 0.040 2 0 "[ . 1 . 2]" 1
240 1 30 ASN QD 1 34 GLU HB3 1.800 . 6.000 5.963 5.921 5.998 . 0 0 "[ . 1 . 2]" 1
241 1 30 ASN QD 1 64 ARG HG2 1.800 . 5.600 5.557 5.369 5.648 0.048 2 0 "[ . 1 . 2]" 1
242 1 31 THR H 1 31 THR HA 1.800 . 3.000 2.277 2.276 2.277 . 0 0 "[ . 1 . 2]" 1
243 1 31 THR H 1 31 THR MG 1.800 . 4.600 4.047 4.045 4.049 . 0 0 "[ . 1 . 2]" 1
244 1 31 THR H 1 32 ILE H 1.800 . 4.100 4.075 4.062 4.090 . 0 0 "[ . 1 . 2]" 1
245 1 31 THR H 1 33 ALA MB 1.800 . 5.500 4.919 4.866 4.965 . 0 0 "[ . 1 . 2]" 1
246 1 31 THR H 1 34 GLU H 1.800 . 3.800 3.563 3.542 3.584 . 0 0 "[ . 1 . 2]" 1
247 1 31 THR H 1 34 GLU HB2 1.800 . 3.000 2.705 2.609 2.811 . 0 0 "[ . 1 . 2]" 1
248 1 31 THR H 1 34 GLU HB3 1.800 . 3.300 3.158 2.961 3.305 0.005 1 0 "[ . 1 . 2]" 1
249 1 31 THR H 1 35 LEU H 1.800 . 4.800 4.770 4.726 4.808 0.008 18 0 "[ . 1 . 2]" 1
250 1 31 THR H 1 64 ARG HB3 1.800 . 4.800 4.692 4.639 4.721 . 0 0 "[ . 1 . 2]" 1
251 1 31 THR H 1 64 ARG HG3 1.800 . 6.300 6.185 6.170 6.195 . 0 0 "[ . 1 . 2]" 1
252 1 31 THR H 1 65 LEU HA 1.800 . 6.300 6.195 6.161 6.244 . 0 0 "[ . 1 . 2]" 1
253 1 31 THR HA 1 32 ILE H 1.800 . 3.600 3.524 3.520 3.527 . 0 0 "[ . 1 . 2]" 1
254 1 31 THR HA 1 33 ALA H 1.800 . 5.400 5.365 5.305 5.390 . 0 0 "[ . 1 . 2]" 1
255 1 31 THR HB 1 33 ALA H 1.800 . 4.500 4.456 4.414 4.484 . 0 0 "[ . 1 . 2]" 1
256 1 32 ILE H 1 32 ILE HA 1.800 . 3.000 2.803 2.801 2.805 . 0 0 "[ . 1 . 2]" 1
257 1 32 ILE H 1 32 ILE HB 1.800 . 3.000 2.526 2.512 2.544 . 0 0 "[ . 1 . 2]" 1
258 1 32 ILE H 1 32 ILE MD 1.800 . 3.000 2.026 1.980 2.048 . 0 0 "[ . 1 . 2]" 1
259 1 32 ILE H 1 32 ILE HG13 1.800 . 3.000 2.846 2.784 2.897 . 0 0 "[ . 1 . 2]" 1
260 1 32 ILE H 1 32 ILE MG 1.800 . 4.400 3.762 3.760 3.763 . 0 0 "[ . 1 . 2]" 1
261 1 32 ILE H 1 33 ALA H 1.800 . 3.000 2.913 2.878 2.926 . 0 0 "[ . 1 . 2]" 1
262 1 32 ILE H 1 33 ALA HA 1.800 . 5.500 5.441 5.419 5.450 . 0 0 "[ . 1 . 2]" 1
263 1 32 ILE H 1 34 GLU H 1.800 . 4.000 3.970 3.943 4.004 0.004 20 0 "[ . 1 . 2]" 1
264 1 32 ILE H 1 34 GLU HB2 1.800 . 5.500 5.346 5.203 5.495 . 0 0 "[ . 1 . 2]" 1
265 1 32 ILE H 1 35 LEU H 1.800 . 4.800 4.576 4.553 4.606 . 0 0 "[ . 1 . 2]" 1
266 1 32 ILE H 1 35 LEU HB2 1.800 . 5.100 4.770 4.691 4.858 . 0 0 "[ . 1 . 2]" 1
267 1 32 ILE H 1 36 LYS H 1.800 . 6.000 5.999 5.975 6.031 0.031 18 0 "[ . 1 . 2]" 1
268 1 32 ILE H 1 36 LYS HD2 1.800 . 6.500 6.515 6.508 6.521 0.021 5 0 "[ . 1 . 2]" 1
269 1 32 ILE H 1 61 ASP HA 1.800 . 4.500 4.380 4.249 4.488 . 0 0 "[ . 1 . 2]" 1
270 1 32 ILE H 1 63 LYS HB2 1.800 . 6.500 6.323 6.212 6.383 . 0 0 "[ . 1 . 2]" 1
271 1 32 ILE HA 1 33 ALA H 1.800 . 3.600 3.571 3.570 3.572 . 0 0 "[ . 1 . 2]" 1
272 1 32 ILE HA 1 34 GLU H 1.800 . 4.400 4.329 4.297 4.372 . 0 0 "[ . 1 . 2]" 1
273 1 32 ILE HA 1 35 LEU H 1.800 . 3.600 3.475 3.452 3.498 . 0 0 "[ . 1 . 2]" 1
274 1 32 ILE HB 1 33 ALA H 1.800 . 3.000 2.170 2.149 2.207 . 0 0 "[ . 1 . 2]" 1
275 1 32 ILE HB 1 36 LYS H 1.800 . 5.600 5.675 5.658 5.698 0.098 10 0 "[ . 1 . 2]" 1
276 1 32 ILE HB 1 60 GLU H 1.800 . 5.000 5.016 4.990 5.039 0.039 6 0 "[ . 1 . 2]" 1
277 1 32 ILE HB 1 63 LYS H 1.800 . 5.000 5.099 5.086 5.116 0.116 4 0 "[ . 1 . 2]" 1
278 1 32 ILE MD 1 33 ALA H 1.800 . 3.800 3.489 3.433 3.562 . 0 0 "[ . 1 . 2]" 1
279 1 32 ILE MD 1 60 GLU H 1.800 . 5.500 4.771 4.692 4.819 . 0 0 "[ . 1 . 2]" 1
280 1 32 ILE MD 1 61 ASP H 1.800 . 5.000 4.326 4.259 4.372 . 0 0 "[ . 1 . 2]" 1
281 1 32 ILE MD 1 63 LYS H 1.800 . 4.000 3.398 3.359 3.439 . 0 0 "[ . 1 . 2]" 1
282 1 32 ILE MG 1 33 ALA H 1.800 . 3.800 2.968 2.923 3.076 . 0 0 "[ . 1 . 2]" 1
283 1 32 ILE MG 1 34 GLU H 1.800 . 5.300 4.731 4.697 4.811 . 0 0 "[ . 1 . 2]" 1
284 1 32 ILE MG 1 35 LEU H 1.800 . 5.000 4.595 4.547 4.640 . 0 0 "[ . 1 . 2]" 1
285 1 32 ILE MG 1 36 LYS H 1.800 . 4.000 3.839 3.755 3.887 . 0 0 "[ . 1 . 2]" 1
286 1 32 ILE MG 1 60 GLU H 1.800 . 4.000 3.364 3.245 3.527 . 0 0 "[ . 1 . 2]" 1
287 1 32 ILE MG 1 61 ASP H 1.800 . 3.800 3.473 3.398 3.565 . 0 0 "[ . 1 . 2]" 1
288 1 32 ILE MG 1 63 LYS H 1.800 . 6.000 5.415 5.370 5.479 . 0 0 "[ . 1 . 2]" 1
289 1 33 ALA H 1 33 ALA HA 1.800 . 3.000 2.767 2.765 2.772 . 0 0 "[ . 1 . 2]" 1
290 1 33 ALA H 1 33 ALA MB 1.800 . 3.300 2.069 2.049 2.190 . 0 0 "[ . 1 . 2]" 1
291 1 33 ALA H 1 34 GLU H 1.800 . 3.000 2.777 2.766 2.790 . 0 0 "[ . 1 . 2]" 1
292 1 33 ALA H 1 34 GLU HB2 1.800 . 5.000 4.899 4.802 5.005 0.005 11 0 "[ . 1 . 2]" 1
293 1 33 ALA H 1 35 LEU H 1.800 . 4.300 4.275 4.221 4.309 0.009 8 0 "[ . 1 . 2]" 1
294 1 33 ALA H 1 35 LEU HB2 1.800 . 5.400 5.263 5.133 5.382 . 0 0 "[ . 1 . 2]" 1
295 1 33 ALA H 1 35 LEU HB3 1.800 . 6.500 6.341 6.213 6.464 . 0 0 "[ . 1 . 2]" 1
296 1 33 ALA H 1 36 LYS HB3 1.800 . 6.000 5.845 5.763 5.930 . 0 0 "[ . 1 . 2]" 1
297 1 33 ALA H 1 36 LYS HD3 1.800 . 4.500 4.394 4.311 4.448 . 0 0 "[ . 1 . 2]" 1
298 1 33 ALA H 1 37 GLY H 1.800 . 5.800 5.759 5.690 5.802 0.002 20 0 "[ . 1 . 2]" 1
299 1 33 ALA H 1 61 ASP HA 1.800 . 3.300 3.140 3.081 3.202 . 0 0 "[ . 1 . 2]" 1
300 1 33 ALA HA 1 35 LEU H 1.800 . 4.500 4.465 4.420 4.495 . 0 0 "[ . 1 . 2]" 1
301 1 33 ALA HA 1 36 LYS H 1.800 . 3.800 3.718 3.703 3.727 . 0 0 "[ . 1 . 2]" 1
302 1 33 ALA MB 1 34 GLU H 1.800 . 3.000 2.689 2.635 2.728 . 0 0 "[ . 1 . 2]" 1
303 1 33 ALA MB 1 36 LYS H 1.800 . 5.800 4.868 4.858 4.877 . 0 0 "[ . 1 . 2]" 1
304 1 33 ALA MB 1 37 GLY H 1.800 . 5.300 4.450 4.340 4.494 . 0 0 "[ . 1 . 2]" 1
305 1 34 GLU H 1 34 GLU HB3 1.800 . 3.000 2.779 2.651 2.896 . 0 0 "[ . 1 . 2]" 1
306 1 34 GLU H 1 34 GLU HG3 1.800 . 4.500 4.419 4.242 4.501 0.001 10 0 "[ . 1 . 2]" 1
307 1 34 GLU H 1 35 LEU HA 1.800 . 5.300 5.214 5.201 5.226 . 0 0 "[ . 1 . 2]" 1
308 1 34 GLU H 1 35 LEU HB2 1.800 . 4.400 4.394 4.366 4.430 0.030 18 0 "[ . 1 . 2]" 1
309 1 34 GLU H 1 36 LYS H 1.800 . 4.300 4.271 4.256 4.296 . 0 0 "[ . 1 . 2]" 1
310 1 34 GLU H 1 38 LYS H 1.800 . 6.000 5.827 5.693 5.929 . 0 0 "[ . 1 . 2]" 1
311 1 34 GLU HA 1 38 LYS H 1.800 . 4.100 3.965 3.817 4.095 . 0 0 "[ . 1 . 2]" 1
312 1 34 GLU HB2 1 35 LEU H 1.800 . 3.800 3.665 3.563 3.766 . 0 0 "[ . 1 . 2]" 1
313 1 34 GLU HB3 1 35 LEU H 1.800 . 3.000 2.634 2.578 2.714 . 0 0 "[ . 1 . 2]" 1
314 1 35 LEU H 1 35 LEU HA 1.800 . 3.000 2.829 2.828 2.830 . 0 0 "[ . 1 . 2]" 1
315 1 35 LEU H 1 35 LEU HB2 1.800 . 3.000 2.054 2.048 2.062 . 0 0 "[ . 1 . 2]" 1
316 1 35 LEU H 1 35 LEU HB3 1.800 . 3.300 3.239 3.150 3.313 0.013 16 0 "[ . 1 . 2]" 1
317 1 35 LEU H 1 36 LYS H 1.800 . 3.000 2.701 2.698 2.707 . 0 0 "[ . 1 . 2]" 1
318 1 35 LEU H 1 37 GLY H 1.800 . 4.000 3.972 3.925 4.015 0.015 15 0 "[ . 1 . 2]" 1
319 1 35 LEU H 1 38 LYS H 1.800 . 4.800 4.613 4.539 4.679 . 0 0 "[ . 1 . 2]" 1
320 1 35 LEU H 1 38 LYS QG 1.800 . 5.100 4.953 4.757 5.068 . 0 0 "[ . 1 . 2]" 1
321 1 35 LEU HA 1 36 LYS H 1.800 . 3.600 3.559 3.559 3.560 . 0 0 "[ . 1 . 2]" 1
322 1 35 LEU HA 1 39 LEU H 1.800 . 4.500 4.310 4.168 4.472 . 0 0 "[ . 1 . 2]" 1
323 1 35 LEU HB2 1 36 LYS H 1.800 . 3.100 3.012 2.910 3.127 0.027 18 0 "[ . 1 . 2]" 1
324 1 35 LEU HB2 1 37 GLY H 1.800 . 5.300 5.196 5.132 5.306 0.006 18 0 "[ . 1 . 2]" 1
325 1 35 LEU HB3 1 36 LYS H 1.800 . 3.000 2.672 2.567 2.763 . 0 0 "[ . 1 . 2]" 1
326 1 35 LEU MD1 1 37 GLY H 1.800 . 6.300 5.880 5.526 6.378 0.078 13 0 "[ . 1 . 2]" 1
327 1 35 LEU MD2 1 38 LYS H 1.800 . 5.800 4.979 4.508 5.815 0.015 12 0 "[ . 1 . 2]" 1
328 1 36 LYS H 1 36 LYS HB2 1.800 . 3.600 3.592 3.590 3.594 . 0 0 "[ . 1 . 2]" 1
329 1 36 LYS H 1 36 LYS HB3 1.800 . 3.000 2.538 2.492 2.577 . 0 0 "[ . 1 . 2]" 1
330 1 36 LYS H 1 37 GLY H 1.800 . 3.000 2.630 2.617 2.647 . 0 0 "[ . 1 . 2]" 1
331 1 36 LYS H 1 38 LYS H 1.800 . 4.100 4.076 4.034 4.123 0.023 8 0 "[ . 1 . 2]" 1
332 1 36 LYS H 1 38 LYS QG 1.800 . 6.300 5.767 5.541 5.890 . 0 0 "[ . 1 . 2]" 1
333 1 36 LYS H 1 39 LEU H 1.800 . 5.000 4.800 4.729 4.879 . 0 0 "[ . 1 . 2]" 1
334 1 36 LYS HA 1 39 LEU H 1.800 . 3.500 3.480 3.442 3.520 0.020 16 0 "[ . 1 . 2]" 1
335 1 36 LYS HB2 1 37 GLY H 1.800 . 4.000 3.763 3.678 3.851 . 0 0 "[ . 1 . 2]" 1
336 1 36 LYS HB2 1 39 LEU H 1.800 . 5.400 5.355 5.316 5.409 0.009 10 0 "[ . 1 . 2]" 1
337 1 36 LYS HB3 1 37 GLY H 1.800 . 3.900 3.905 3.888 3.913 0.013 4 0 "[ . 1 . 2]" 1
338 1 37 GLY H 1 37 GLY HA2 1.800 . 3.000 2.837 2.835 2.839 . 0 0 "[ . 1 . 2]" 1
339 1 37 GLY H 1 38 LYS H 1.800 . 3.000 2.607 2.603 2.612 . 0 0 "[ . 1 . 2]" 1
340 1 37 GLY H 1 38 LYS HA 1.800 . 5.300 5.228 5.225 5.231 . 0 0 "[ . 1 . 2]" 1
341 1 37 GLY H 1 41 GLU H 1.800 . 6.100 6.071 5.887 6.123 0.023 5 0 "[ . 1 . 2]" 1
342 1 37 GLY HA2 1 38 LYS H 1.800 . 3.600 3.511 3.507 3.512 . 0 0 "[ . 1 . 2]" 1
343 1 37 GLY HA2 1 40 GLU H 1.800 . 3.800 3.648 3.570 3.702 . 0 0 "[ . 1 . 2]" 1
344 1 38 LYS H 1 38 LYS HA 1.800 . 3.000 2.861 2.849 2.866 . 0 0 "[ . 1 . 2]" 1
345 1 38 LYS H 1 38 LYS HB2 1.800 . 3.000 2.234 2.180 2.336 . 0 0 "[ . 1 . 2]" 1
346 1 38 LYS H 1 38 LYS HB3 1.800 . 3.600 3.523 3.488 3.573 . 0 0 "[ . 1 . 2]" 1
347 1 38 LYS H 1 38 LYS QD 1.800 . 5.000 4.378 4.073 4.582 . 0 0 "[ . 1 . 2]" 1
348 1 38 LYS H 1 38 LYS QG 1.800 . 3.300 2.846 2.646 2.976 . 0 0 "[ . 1 . 2]" 1
349 1 38 LYS H 1 39 LEU H 1.800 . 3.000 2.479 2.466 2.528 . 0 0 "[ . 1 . 2]" 1
350 1 38 LYS H 1 39 LEU HB2 1.800 . 4.600 4.463 4.338 4.552 . 0 0 "[ . 1 . 2]" 1
351 1 38 LYS H 1 40 GLU H 1.800 . 4.300 4.165 4.111 4.224 . 0 0 "[ . 1 . 2]" 1
352 1 38 LYS H 1 40 GLU QG 1.800 . 4.300 4.029 3.961 4.103 . 0 0 "[ . 1 . 2]" 1
353 1 38 LYS H 1 41 GLU H 1.800 . 4.800 4.750 4.634 4.803 0.003 15 0 "[ . 1 . 2]" 1
354 1 38 LYS HB2 1 39 LEU H 1.800 . 3.000 2.910 2.762 2.970 . 0 0 "[ . 1 . 2]" 1
355 1 38 LYS HB3 1 40 GLU H 1.800 . 5.800 5.603 5.548 5.689 . 0 0 "[ . 1 . 2]" 1
356 1 38 LYS QD 1 39 LEU H 1.800 . 5.600 5.065 4.867 5.271 . 0 0 "[ . 1 . 2]" 1
357 1 38 LYS QD 1 41 GLU H 1.800 . 6.500 5.667 5.074 6.137 . 0 0 "[ . 1 . 2]" 1
358 1 38 LYS QD 1 42 SER H 1.800 . 5.800 5.193 4.837 5.580 . 0 0 "[ . 1 . 2]" 1
359 1 39 LEU H 1 39 LEU HA 1.800 . 3.000 2.838 2.829 2.840 . 0 0 "[ . 1 . 2]" 1
360 1 39 LEU H 1 39 LEU HB2 1.800 . 3.000 2.230 2.128 2.280 . 0 0 "[ . 1 . 2]" 1
361 1 39 LEU H 1 39 LEU HB3 1.800 . 3.000 2.845 2.774 3.002 0.002 20 0 "[ . 1 . 2]" 1
362 1 39 LEU H 1 39 LEU QD 1.800 . 4.000 3.561 3.312 3.745 . 0 0 "[ . 1 . 2]" 1
363 1 39 LEU H 1 40 GLU H 1.800 . 3.000 2.611 2.605 2.638 . 0 0 "[ . 1 . 2]" 1
364 1 39 LEU H 1 40 GLU QG 1.800 . 3.800 3.665 3.657 3.696 . 0 0 "[ . 1 . 2]" 1
365 1 39 LEU H 1 41 GLU H 1.800 . 4.100 4.052 4.009 4.086 . 0 0 "[ . 1 . 2]" 1
366 1 39 LEU HB2 1 40 GLU H 1.800 . 3.600 3.543 3.373 3.602 0.002 9 0 "[ . 1 . 2]" 1
367 1 39 LEU HB2 1 41 GLU H 1.800 . 5.800 5.628 5.481 5.719 . 0 0 "[ . 1 . 2]" 1
368 1 39 LEU HB2 1 43 GLU H 1.800 . 6.500 6.508 6.501 6.517 0.017 20 0 "[ . 1 . 2]" 1
369 1 39 LEU QD 1 40 GLU H 1.800 . 3.700 3.502 3.394 3.671 . 0 0 "[ . 1 . 2]" 1
370 1 39 LEU QD 1 41 GLU H 1.800 . 5.500 4.899 4.759 5.159 . 0 0 "[ . 1 . 2]" 1
371 1 39 LEU QD 1 42 SER H 1.800 . 5.200 4.430 4.176 4.851 . 0 0 "[ . 1 . 2]" 1
372 1 39 LEU QD 1 43 GLU H 1.800 . 4.300 3.847 3.619 4.234 . 0 0 "[ . 1 . 2]" 1
373 1 39 LEU QD 1 47 GLY H 1.800 . 5.200 4.716 4.229 5.123 . 0 0 "[ . 1 . 2]" 1
374 1 40 GLU H 1 40 GLU HA 1.800 . 3.000 2.835 2.834 2.837 . 0 0 "[ . 1 . 2]" 1
375 1 40 GLU H 1 40 GLU HB2 1.800 . 3.600 3.592 3.592 3.593 . 0 0 "[ . 1 . 2]" 1
376 1 40 GLU H 1 41 GLU H 1.800 . 3.000 2.607 2.593 2.620 . 0 0 "[ . 1 . 2]" 1
377 1 40 GLU H 1 42 SER H 1.800 . 4.000 3.978 3.918 4.010 0.010 20 0 "[ . 1 . 2]" 1
378 1 40 GLU H 1 47 GLY H 1.800 . 6.500 6.518 6.509 6.533 0.033 15 0 "[ . 1 . 2]" 1
379 1 40 GLU HA 1 43 GLU H 1.800 . 3.800 3.641 3.617 3.664 . 0 0 "[ . 1 . 2]" 1
380 1 40 GLU HA 1 47 GLY H 1.800 . 4.500 4.440 4.385 4.511 0.011 4 0 "[ . 1 . 2]" 1
381 1 40 GLU HB2 1 47 GLY H 1.800 . 5.300 5.061 4.821 5.302 0.002 14 0 "[ . 1 . 2]" 1
382 1 41 GLU H 1 41 GLU HA 1.800 . 3.000 2.835 2.834 2.836 . 0 0 "[ . 1 . 2]" 1
383 1 41 GLU H 1 41 GLU HB2 1.800 . 3.000 2.265 2.187 2.387 . 0 0 "[ . 1 . 2]" 1
384 1 41 GLU H 1 41 GLU HB3 1.800 . 3.000 2.841 2.686 2.950 . 0 0 "[ . 1 . 2]" 1
385 1 41 GLU H 1 42 SER H 1.800 . 3.000 2.565 2.555 2.570 . 0 0 "[ . 1 . 2]" 1
386 1 41 GLU H 1 42 SER HB3 1.800 . 5.000 4.736 4.595 4.856 . 0 0 "[ . 1 . 2]" 1
387 1 41 GLU H 1 43 GLU H 1.800 . 4.300 4.280 4.229 4.302 0.002 8 0 "[ . 1 . 2]" 1
388 1 41 GLU H 1 44 GLY H 1.800 . 4.800 4.764 4.687 4.827 0.027 20 0 "[ . 1 . 2]" 1
389 1 41 GLU HA 1 42 SER H 1.800 . 3.600 3.507 3.501 3.514 . 0 0 "[ . 1 . 2]" 1
390 1 41 GLU HB2 1 42 SER H 1.800 . 3.800 3.696 3.590 3.812 0.012 10 0 "[ . 1 . 2]" 1
391 1 41 GLU HB3 1 42 SER H 1.800 . 3.000 2.808 2.728 2.852 . 0 0 "[ . 1 . 2]" 1
392 1 41 GLU HB3 1 43 GLU H 1.800 . 5.300 5.207 5.148 5.236 . 0 0 "[ . 1 . 2]" 1
393 1 42 SER H 1 42 SER HB3 1.800 . 3.000 2.419 2.317 2.562 . 0 0 "[ . 1 . 2]" 1
394 1 42 SER H 1 43 GLU H 1.800 . 3.000 2.685 2.672 2.691 . 0 0 "[ . 1 . 2]" 1
395 1 42 SER H 1 43 GLU HB2 1.800 . 4.800 4.739 4.673 4.775 . 0 0 "[ . 1 . 2]" 1
396 1 42 SER HB2 1 43 GLU H 1.800 . 4.000 3.849 3.771 3.981 . 0 0 "[ . 1 . 2]" 1
397 1 43 GLU H 1 43 GLU HB2 1.800 . 3.000 2.275 2.230 2.312 . 0 0 "[ . 1 . 2]" 1
398 1 43 GLU H 1 43 GLU HB3 1.800 . 3.600 3.550 3.522 3.568 . 0 0 "[ . 1 . 2]" 1
399 1 43 GLU H 1 43 GLU HG2 1.800 . 3.000 2.865 2.763 2.983 . 0 0 "[ . 1 . 2]" 1
400 1 43 GLU H 1 44 GLY H 1.800 . 3.000 2.463 2.409 2.496 . 0 0 "[ . 1 . 2]" 1
401 1 43 GLU HA 1 44 GLY H 1.800 . 3.400 3.314 3.303 3.412 0.012 15 0 "[ . 1 . 2]" 1
402 1 43 GLU HA 1 45 ILE H 1.800 . 4.400 4.394 4.272 4.428 0.028 20 0 "[ . 1 . 2]" 1
403 1 43 GLU HB2 1 44 GLY H 1.800 . 3.500 3.487 3.209 3.513 0.013 17 0 "[ . 1 . 2]" 1
404 1 43 GLU HB3 1 44 GLY H 1.800 . 4.100 4.062 3.929 4.094 . 0 0 "[ . 1 . 2]" 1
405 1 43 GLU HB3 1 45 ILE H 1.800 . 3.200 3.182 2.994 3.203 0.003 7 0 "[ . 1 . 2]" 1
406 1 43 GLU HG2 1 44 GLY H 1.800 . 4.900 4.821 4.699 4.884 . 0 0 "[ . 1 . 2]" 1
407 1 44 GLY H 1 45 ILE H 1.800 . 3.300 3.225 2.949 3.268 . 0 0 "[ . 1 . 2]" 1
408 1 44 GLY QA 1 45 ILE H 1.800 . 3.000 2.675 2.653 2.787 . 0 0 "[ . 1 . 2]" 1
409 1 45 ILE H 1 46 PRO QD 1.800 . 5.000 4.326 4.189 4.334 . 0 0 "[ . 1 . 2]" 1
410 1 45 ILE H 1 47 GLY HA2 1.800 . 6.500 6.526 6.482 6.803 0.303 15 0 "[ . 1 . 2]" 1
411 1 46 PRO HA 1 47 GLY H 1.800 . 3.000 2.179 2.165 2.189 . 0 0 "[ . 1 . 2]" 1
412 1 46 PRO HA 1 48 ASN H 1.800 . 4.300 4.193 4.160 4.225 . 0 0 "[ . 1 . 2]" 1
413 1 46 PRO HB2 1 47 GLY H 1.800 . 3.400 3.367 3.314 3.461 0.061 15 0 "[ . 1 . 2]" 1
414 1 46 PRO HB2 1 48 ASN H 1.800 . 3.300 3.049 2.976 3.146 . 0 0 "[ . 1 . 2]" 1
415 1 46 PRO HB3 1 47 GLY H 1.800 . 4.000 3.893 3.859 3.954 . 0 0 "[ . 1 . 2]" 1
416 1 46 PRO HB3 1 48 ASN H 1.800 . 4.600 4.538 4.505 4.584 . 0 0 "[ . 1 . 2]" 1
417 1 47 GLY H 1 47 GLY HA2 1.800 . 3.000 2.767 2.749 2.793 . 0 0 "[ . 1 . 2]" 1
418 1 47 GLY H 1 47 GLY HA3 1.800 . 3.000 2.297 2.294 2.300 . 0 0 "[ . 1 . 2]" 1
419 1 47 GLY H 1 48 ASN H 1.800 . 3.000 2.876 2.811 2.928 . 0 0 "[ . 1 . 2]" 1
420 1 47 GLY H 1 48 ASN HB2 1.800 . 5.500 5.394 5.356 5.430 . 0 0 "[ . 1 . 2]" 1
421 1 47 GLY H 1 49 MET H 1.800 . 5.400 5.471 5.415 5.508 0.108 8 0 "[ . 1 . 2]" 1
422 1 47 GLY H 1 50 ILE H 1.800 . 5.300 5.082 4.991 5.119 . 0 0 "[ . 1 . 2]" 1
423 1 47 GLY HA2 1 48 ASN H 1.800 . 3.600 3.554 3.553 3.556 . 0 0 "[ . 1 . 2]" 1
424 1 47 GLY HA2 1 49 MET H 1.800 . 5.800 5.812 5.772 5.830 0.030 7 0 "[ . 1 . 2]" 1
425 1 47 GLY HA2 1 50 ILE H 1.800 . 6.400 6.261 6.195 6.302 . 0 0 "[ . 1 . 2]" 1
426 1 47 GLY HA3 1 48 ASN H 1.800 . 3.000 2.753 2.739 2.758 . 0 0 "[ . 1 . 2]" 1
427 1 47 GLY HA3 1 49 MET H 1.800 . 4.600 4.651 4.605 4.676 0.076 7 0 "[ . 1 . 2]" 1
428 1 47 GLY HA3 1 50 ILE H 1.800 . 4.800 4.748 4.670 4.793 . 0 0 "[ . 1 . 2]" 1
429 1 48 ASN H 1 48 ASN HB2 1.800 . 3.300 3.157 3.148 3.178 . 0 0 "[ . 1 . 2]" 1
430 1 48 ASN H 1 48 ASN HB3 1.800 . 3.800 3.740 3.687 3.769 . 0 0 "[ . 1 . 2]" 1
431 1 48 ASN H 1 49 MET HA 1.800 . 4.600 4.521 4.508 4.535 . 0 0 "[ . 1 . 2]" 1
432 1 48 ASN H 1 49 MET HG3 1.800 . 6.000 6.031 5.977 6.279 0.279 18 0 "[ . 1 . 2]" 1
433 1 48 ASN H 1 79 VAL QG 1.800 . 3.000 2.709 2.447 3.023 0.023 6 0 "[ . 1 . 2]" 1
434 1 48 ASN HB2 1 49 MET H 1.800 . 3.000 2.770 2.709 2.857 . 0 0 "[ . 1 . 2]" 1
435 1 48 ASN HB3 1 49 MET H 1.800 . 3.000 2.153 2.141 2.168 . 0 0 "[ . 1 . 2]" 1
436 1 48 ASN QD 1 49 MET HA 1.800 . 5.000 4.683 4.524 4.771 . 0 0 "[ . 1 . 2]" 1
437 1 49 MET H 1 49 MET HA 1.800 . 3.000 2.936 2.934 2.936 . 0 0 "[ . 1 . 2]" 1
438 1 49 MET H 1 49 MET HB2 1.800 . 3.000 2.364 2.263 3.116 0.116 16 0 "[ . 1 . 2]" 1
439 1 49 MET H 1 49 MET HB3 1.800 . 3.500 3.381 2.346 3.529 0.029 8 0 "[ . 1 . 2]" 1
440 1 49 MET H 1 50 ILE H 1.800 . 3.000 2.128 2.120 2.145 . 0 0 "[ . 1 . 2]" 1
441 1 49 MET H 1 50 ILE HA 1.800 . 4.500 4.386 4.378 4.402 . 0 0 "[ . 1 . 2]" 1
442 1 49 MET H 1 50 ILE MD 1.800 . 3.600 3.467 3.272 3.604 0.004 6 0 "[ . 1 . 2]" 1
443 1 49 MET H 1 51 ARG H 1.800 . 4.800 4.708 4.613 4.765 . 0 0 "[ . 1 . 2]" 1
444 1 49 MET H 1 79 VAL QG 1.800 . 3.000 2.624 2.202 3.005 0.005 15 0 "[ . 1 . 2]" 1
445 1 49 MET H 1 80 VAL H 1.800 . 3.100 2.861 2.714 2.990 . 0 0 "[ . 1 . 2]" 1
446 1 49 MET H 1 80 VAL QG 1.800 . 3.800 3.580 3.308 3.884 0.084 8 0 "[ . 1 . 2]" 1
447 1 49 MET H 1 81 ALA H 1.800 . 6.000 6.014 5.933 6.040 0.040 12 0 "[ . 1 . 2]" 1
448 1 49 MET H 1 81 ALA MB 1.800 . 5.800 5.048 4.889 5.163 . 0 0 "[ . 1 . 2]" 1
449 1 49 MET HA 1 50 ILE H 1.800 . 3.600 3.523 3.517 3.529 . 0 0 "[ . 1 . 2]" 1
450 1 49 MET HB2 1 81 ALA H 1.800 . 6.500 6.406 6.234 6.535 0.035 3 0 "[ . 1 . 2]" 1
451 1 50 ILE H 1 50 ILE HA 1.800 . 3.000 2.283 2.280 2.285 . 0 0 "[ . 1 . 2]" 1
452 1 50 ILE H 1 50 ILE MD 1.800 . 3.000 2.722 2.607 3.002 0.002 5 0 "[ . 1 . 2]" 1
453 1 50 ILE H 1 50 ILE QG 1.800 . 3.000 2.617 2.425 2.704 . 0 0 "[ . 1 . 2]" 1
454 1 50 ILE H 1 51 ARG H 1.800 . 3.000 2.986 2.931 3.009 0.009 13 0 "[ . 1 . 2]" 1
455 1 50 ILE H 1 78 MET HB3 1.800 . 5.800 5.810 5.795 5.823 0.023 17 0 "[ . 1 . 2]" 1
456 1 50 ILE H 1 78 MET HG3 1.800 . 6.100 6.128 6.118 6.136 0.036 9 0 "[ . 1 . 2]" 1
457 1 50 ILE H 1 79 VAL HA 1.800 . 3.000 2.588 2.553 2.622 . 0 0 "[ . 1 . 2]" 1
458 1 50 ILE HA 1 51 ARG H 1.800 . 3.000 2.613 2.597 2.652 . 0 0 "[ . 1 . 2]" 1
459 1 50 ILE HA 1 52 LEU H 1.800 . 5.800 5.542 5.427 5.655 . 0 0 "[ . 1 . 2]" 1
460 1 50 ILE HA 1 78 MET H 1.800 . 4.300 4.165 4.093 4.246 . 0 0 "[ . 1 . 2]" 1
461 1 50 ILE HB 1 51 ARG H 1.800 . 4.300 4.341 4.310 4.358 0.058 18 0 "[ . 1 . 2]" 1
462 1 50 ILE MD 1 51 ARG H 1.800 . 5.600 4.368 4.231 4.768 . 0 0 "[ . 1 . 2]" 1
463 1 50 ILE MG 1 51 ARG H 1.800 . 4.300 3.932 3.881 4.010 . 0 0 "[ . 1 . 2]" 1
464 1 51 ARG H 1 51 ARG HA 1.800 . 3.000 2.947 2.946 2.948 . 0 0 "[ . 1 . 2]" 1
465 1 51 ARG H 1 51 ARG HB2 1.800 . 3.000 2.580 2.449 3.003 0.003 16 0 "[ . 1 . 2]" 1
466 1 51 ARG H 1 51 ARG QD 1.800 . 5.000 4.575 4.112 4.809 . 0 0 "[ . 1 . 2]" 1
467 1 51 ARG H 1 52 LEU H 1.800 . 4.300 4.265 4.198 4.328 0.028 15 0 "[ . 1 . 2]" 1
468 1 51 ARG H 1 52 LEU HA 1.800 . 4.900 4.836 4.791 4.879 . 0 0 "[ . 1 . 2]" 1
469 1 51 ARG H 1 78 MET HA 1.800 . 5.000 5.014 4.978 5.044 0.044 1 0 "[ . 1 . 2]" 1
470 1 51 ARG H 1 78 MET HG3 1.800 . 5.300 5.295 5.247 5.316 0.016 15 0 "[ . 1 . 2]" 1
471 1 51 ARG H 1 79 VAL HA 1.800 . 3.800 3.826 3.772 3.852 0.052 10 0 "[ . 1 . 2]" 1
472 1 51 ARG HA 1 52 LEU H 1.800 . 3.000 2.142 2.140 2.145 . 0 0 "[ . 1 . 2]" 1
473 1 52 LEU H 1 52 LEU HA 1.800 . 3.000 2.939 2.938 2.940 . 0 0 "[ . 1 . 2]" 1
474 1 52 LEU H 1 52 LEU HB2 1.800 . 3.800 3.684 3.669 3.695 . 0 0 "[ . 1 . 2]" 1
475 1 52 LEU H 1 52 LEU HB3 1.800 . 3.000 2.967 2.918 3.009 0.009 7 0 "[ . 1 . 2]" 1
476 1 52 LEU H 1 53 VAL H 1.800 . 4.600 4.541 4.539 4.542 . 0 0 "[ . 1 . 2]" 1
477 1 52 LEU H 1 76 PHE H 1.800 . 6.500 6.556 6.541 6.569 0.069 17 0 "[ . 1 . 2]" 1
478 1 52 LEU H 1 77 HIS HB3 1.800 . 5.400 5.406 5.325 5.424 0.024 19 0 "[ . 1 . 2]" 1
479 1 52 LEU HA 1 53 VAL H 1.800 . 3.000 2.331 2.328 2.333 . 0 0 "[ . 1 . 2]" 1
480 1 52 LEU HB2 1 53 VAL H 1.800 . 3.000 2.591 2.585 2.597 . 0 0 "[ . 1 . 2]" 1
481 1 52 LEU HB3 1 53 VAL H 1.800 . 3.800 3.824 3.786 3.859 0.059 16 0 "[ . 1 . 2]" 1
482 1 53 VAL H 1 53 VAL HA 1.800 . 3.000 2.948 2.947 2.950 . 0 0 "[ . 1 . 2]" 1
483 1 53 VAL H 1 53 VAL HB 1.800 . 3.000 2.793 2.614 3.043 0.043 6 0 "[ . 1 . 2]" 1
484 1 53 VAL H 1 53 VAL QG 1.800 . 3.000 2.387 1.928 2.743 . 0 0 "[ . 1 . 2]" 1
485 1 53 VAL H 1 55 GLN H 1.800 . 6.300 6.289 6.240 6.329 0.029 10 0 "[ . 1 . 2]" 1
486 1 53 VAL H 1 76 PHE HB3 1.800 . 3.300 3.279 3.127 3.326 0.026 12 0 "[ . 1 . 2]" 1
487 1 53 VAL HA 1 54 TYR H 1.800 . 3.000 2.145 2.139 2.156 . 0 0 "[ . 1 . 2]" 1
488 1 53 VAL HA 1 56 GLY H 1.800 . 5.000 4.951 4.894 5.035 0.035 7 0 "[ . 1 . 2]" 1
489 1 53 VAL HA 1 76 PHE H 1.800 . 5.300 5.328 5.313 5.368 0.068 7 0 "[ . 1 . 2]" 1
490 1 53 VAL HB 1 54 TYR H 1.800 . 4.300 4.221 4.120 4.291 . 0 0 "[ . 1 . 2]" 1
491 1 53 VAL QG 1 54 TYR H 1.800 . 3.000 2.645 2.366 2.822 . 0 0 "[ . 1 . 2]" 1
492 1 53 VAL QG 1 55 GLN H 1.800 . 4.300 3.882 3.653 4.113 . 0 0 "[ . 1 . 2]" 1
493 1 53 VAL QG 1 56 GLY H 1.800 . 3.000 2.232 2.067 2.416 . 0 0 "[ . 1 . 2]" 1
494 1 53 VAL QG 1 57 LYS H 1.800 . 3.000 2.442 2.328 2.514 . 0 0 "[ . 1 . 2]" 1
495 1 54 TYR H 1 54 TYR HA 1.800 . 3.000 2.935 2.929 2.942 . 0 0 "[ . 1 . 2]" 1
496 1 54 TYR H 1 54 TYR HB3 1.800 . 3.000 2.989 2.609 3.067 0.067 16 0 "[ . 1 . 2]" 1
497 1 54 TYR H 1 55 GLN H 1.800 . 4.400 4.327 4.297 4.399 . 0 0 "[ . 1 . 2]" 1
498 1 54 TYR H 1 56 GLY H 1.800 . 4.300 4.171 4.094 4.300 0.000 7 0 "[ . 1 . 2]" 1
499 1 54 TYR H 1 57 LYS H 1.800 . 3.300 3.251 3.171 3.315 0.015 7 0 "[ . 1 . 2]" 1
500 1 54 TYR HA 1 55 GLN H 1.800 . 3.000 2.140 2.139 2.141 . 0 0 "[ . 1 . 2]" 1
501 1 54 TYR HA 1 55 GLN QE 1.800 . 6.300 5.708 4.597 6.284 . 0 0 "[ . 1 . 2]" 1
502 1 54 TYR HA 1 56 GLY H 1.800 . 3.800 3.794 3.723 3.802 0.002 11 0 "[ . 1 . 2]" 1
503 1 54 TYR HA 1 57 LYS H 1.800 . 4.300 4.306 4.272 4.320 0.020 18 0 "[ . 1 . 2]" 1
504 1 54 TYR HB3 1 55 GLN H 1.800 . 4.000 4.005 3.958 4.199 0.199 7 0 "[ . 1 . 2]" 1
505 1 54 TYR HB3 1 57 LYS H 1.800 . 4.300 4.111 4.053 4.170 . 0 0 "[ . 1 . 2]" 1
506 1 55 GLN H 1 55 GLN HA 1.800 . 3.000 2.276 2.275 2.276 . 0 0 "[ . 1 . 2]" 1
507 1 55 GLN H 1 55 GLN HB2 1.800 . 3.000 3.001 2.997 3.004 0.004 18 0 "[ . 1 . 2]" 1
508 1 55 GLN H 1 55 GLN HB3 1.800 . 3.800 3.893 3.891 3.895 0.095 18 0 "[ . 1 . 2]" 1
509 1 55 GLN H 1 55 GLN QG 1.800 . 4.300 3.927 3.697 4.249 . 0 0 "[ . 1 . 2]" 1
510 1 55 GLN H 1 56 GLY H 1.800 . 3.000 2.736 2.732 2.741 . 0 0 "[ . 1 . 2]" 1
511 1 55 GLN H 1 56 GLY HA2 1.800 . 5.300 5.049 5.045 5.054 . 0 0 "[ . 1 . 2]" 1
512 1 55 GLN H 1 56 GLY HA3 1.800 . 5.400 5.341 5.339 5.345 . 0 0 "[ . 1 . 2]" 1
513 1 55 GLN H 1 57 LYS H 1.800 . 4.000 4.012 4.004 4.028 0.028 7 0 "[ . 1 . 2]" 1
514 1 55 GLN HA 1 56 GLY H 1.800 . 3.000 2.871 2.869 2.877 . 0 0 "[ . 1 . 2]" 1
515 1 55 GLN HA 1 57 LYS H 1.800 . 4.300 4.286 4.278 4.302 0.002 7 0 "[ . 1 . 2]" 1
516 1 55 GLN HB2 1 55 GLN QE 1.800 . 5.300 2.815 2.011 3.883 . 0 0 "[ . 1 . 2]" 1
517 1 55 GLN HB2 1 56 GLY H 1.800 . 4.300 4.437 4.433 4.439 0.139 8 0 "[ . 1 . 2]" 1
518 1 55 GLN HB3 1 55 GLN QE 1.800 . 6.300 3.574 2.848 4.220 . 0 0 "[ . 1 . 2]" 1
519 1 55 GLN HB3 1 56 GLY H 1.800 . 4.300 4.168 4.164 4.170 . 0 0 "[ . 1 . 2]" 1
520 1 55 GLN QG 1 56 GLY H 1.800 . 4.800 4.583 4.512 4.796 . 0 0 "[ . 1 . 2]" 1
521 1 56 GLY H 1 56 GLY HA2 1.800 . 3.000 2.314 2.312 2.318 . 0 0 "[ . 1 . 2]" 1
522 1 56 GLY H 1 56 GLY HA3 1.800 . 3.000 2.876 2.872 2.881 . 0 0 "[ . 1 . 2]" 1
523 1 56 GLY H 1 57 LYS H 1.800 . 3.000 2.536 2.531 2.548 . 0 0 "[ . 1 . 2]" 1
524 1 56 GLY H 1 57 LYS QE 1.800 . 5.000 4.696 4.485 4.823 . 0 0 "[ . 1 . 2]" 1
525 1 56 GLY HA2 1 57 LYS H 1.800 . 3.300 3.201 3.182 3.217 . 0 0 "[ . 1 . 2]" 1
526 1 56 GLY HA3 1 57 LYS H 1.800 . 3.300 3.345 3.331 3.360 0.060 7 0 "[ . 1 . 2]" 1
527 1 57 LYS H 1 57 LYS HA 1.800 . 3.000 2.947 2.946 2.948 . 0 0 "[ . 1 . 2]" 1
528 1 57 LYS H 1 57 LYS HB2 1.800 . 3.000 2.417 2.373 2.452 . 0 0 "[ . 1 . 2]" 1
529 1 57 LYS H 1 57 LYS HB3 1.800 . 3.300 3.283 3.227 3.299 . 0 0 "[ . 1 . 2]" 1
530 1 57 LYS H 1 57 LYS HE2 1.800 . 3.300 3.195 2.918 3.295 . 0 0 "[ . 1 . 2]" 1
531 1 57 LYS H 1 58 GLN H 1.800 . 4.600 4.506 4.497 4.517 . 0 0 "[ . 1 . 2]" 1
532 1 57 LYS HA 1 58 GLN H 1.800 . 3.000 2.396 2.370 2.400 . 0 0 "[ . 1 . 2]" 1
533 1 57 LYS HB3 1 58 GLN H 1.800 . 3.000 2.812 2.783 2.872 . 0 0 "[ . 1 . 2]" 1
534 1 58 GLN H 1 58 GLN HB2 1.800 . 3.000 2.620 2.531 2.761 . 0 0 "[ . 1 . 2]" 1
535 1 58 GLN H 1 58 GLN HB3 1.800 . 3.800 3.753 3.713 3.799 . 0 0 "[ . 1 . 2]" 1
536 1 58 GLN H 1 59 LEU H 1.800 . 4.500 4.473 4.456 4.488 . 0 0 "[ . 1 . 2]" 1
537 1 58 GLN HA 1 59 LEU H 1.800 . 3.000 2.499 2.434 2.567 . 0 0 "[ . 1 . 2]" 1
538 1 58 GLN HB2 1 59 LEU H 1.800 . 3.500 3.397 3.178 3.499 . 0 0 "[ . 1 . 2]" 1
539 1 58 GLN HB3 1 59 LEU H 1.800 . 3.000 2.247 2.144 2.397 . 0 0 "[ . 1 . 2]" 1
540 1 59 LEU H 1 59 LEU HB2 1.800 . 3.800 3.750 3.734 3.766 . 0 0 "[ . 1 . 2]" 1
541 1 59 LEU H 1 59 LEU HG 1.800 . 3.000 2.832 2.559 2.996 . 0 0 "[ . 1 . 2]" 1
542 1 59 LEU H 1 60 GLU H 1.800 . 3.600 3.423 3.359 3.461 . 0 0 "[ . 1 . 2]" 1
543 1 59 LEU H 1 61 ASP HB2 1.800 . 6.500 6.438 6.339 6.496 . 0 0 "[ . 1 . 2]" 1
544 1 59 LEU HA 1 60 GLU H 1.800 . 3.000 2.229 2.227 2.242 . 0 0 "[ . 1 . 2]" 1
545 1 59 LEU HB2 1 60 GLU H 1.800 . 4.300 4.317 4.315 4.326 0.026 15 0 "[ . 1 . 2]" 1
546 1 59 LEU HB3 1 60 GLU H 1.800 . 4.000 3.988 3.984 4.016 0.016 15 0 "[ . 1 . 2]" 1
547 1 60 GLU H 1 60 GLU HA 1.800 . 3.000 2.947 2.946 2.948 . 0 0 "[ . 1 . 2]" 1
548 1 60 GLU H 1 60 GLU HB2 1.800 . 3.000 2.656 2.578 2.786 . 0 0 "[ . 1 . 2]" 1
549 1 60 GLU H 1 60 GLU QG 1.800 . 3.000 2.953 2.666 3.009 0.009 15 0 "[ . 1 . 2]" 1
550 1 60 GLU H 1 61 ASP H 1.800 . 3.000 1.936 1.894 2.006 . 0 0 "[ . 1 . 2]" 1
551 1 60 GLU H 1 63 LYS H 1.800 . 5.100 5.092 5.039 5.117 0.017 7 0 "[ . 1 . 2]" 1
552 1 60 GLU HA 1 61 ASP H 1.800 . 3.300 3.286 3.276 3.317 0.017 19 0 "[ . 1 . 2]" 1
553 1 60 GLU HA 1 62 GLU H 1.800 . 3.800 3.696 3.637 3.783 . 0 0 "[ . 1 . 2]" 1
554 1 60 GLU HB2 1 61 ASP H 1.800 . 3.500 3.491 3.415 3.517 0.017 18 0 "[ . 1 . 2]" 1
555 1 60 GLU QG 1 61 ASP H 1.800 . 4.500 4.418 4.180 4.513 0.013 4 0 "[ . 1 . 2]" 1
556 1 61 ASP H 1 61 ASP HA 1.800 . 3.000 2.776 2.772 2.779 . 0 0 "[ . 1 . 2]" 1
557 1 61 ASP H 1 61 ASP QB 1.800 . 3.000 2.181 2.123 2.213 . 0 0 "[ . 1 . 2]" 1
558 1 61 ASP H 1 62 GLU H 1.800 . 3.000 2.749 2.731 2.782 . 0 0 "[ . 1 . 2]" 1
559 1 61 ASP H 1 63 LYS H 1.800 . 4.000 4.009 3.987 4.036 0.036 7 0 "[ . 1 . 2]" 1
560 1 61 ASP H 1 63 LYS QD 1.800 . 4.800 4.695 4.571 4.792 . 0 0 "[ . 1 . 2]" 1
561 1 61 ASP HA 1 62 GLU H 1.800 . 3.600 3.518 3.508 3.532 . 0 0 "[ . 1 . 2]" 1
562 1 61 ASP QB 1 62 GLU H 1.800 . 3.000 2.667 2.584 2.715 . 0 0 "[ . 1 . 2]" 1
563 1 61 ASP HB3 1 63 LYS H 1.800 . 4.800 4.795 4.742 4.828 0.028 11 0 "[ . 1 . 2]" 1
564 1 62 GLU H 1 62 GLU HA 1.800 . 3.000 2.842 2.831 2.856 . 0 0 "[ . 1 . 2]" 1
565 1 62 GLU H 1 62 GLU HB2 1.800 . 3.000 2.136 2.088 2.727 . 0 0 "[ . 1 . 2]" 1
566 1 62 GLU H 1 62 GLU HB3 1.800 . 3.300 3.091 2.359 3.156 . 0 0 "[ . 1 . 2]" 1
567 1 62 GLU H 1 63 LYS H 1.800 . 3.000 2.529 2.484 2.564 . 0 0 "[ . 1 . 2]" 1
568 1 62 GLU H 1 63 LYS HB3 1.800 . 6.100 6.060 6.009 6.103 0.003 5 0 "[ . 1 . 2]" 1
569 1 62 GLU H 1 63 LYS QD 1.800 . 3.800 3.462 3.296 3.558 . 0 0 "[ . 1 . 2]" 1
570 1 62 GLU H 1 64 ARG HB3 1.800 . 6.300 6.113 6.063 6.147 . 0 0 "[ . 1 . 2]" 1
571 1 62 GLU H 1 64 ARG HG2 1.800 . 6.500 6.220 6.159 6.273 . 0 0 "[ . 1 . 2]" 1
572 1 62 GLU HA 1 63 LYS H 1.800 . 3.500 3.421 3.416 3.428 . 0 0 "[ . 1 . 2]" 1
573 1 62 GLU HB2 1 64 ARG H 1.800 . 5.500 5.550 5.536 5.586 0.086 18 0 "[ . 1 . 2]" 1
574 1 62 GLU HB3 1 63 LYS H 1.800 . 3.300 3.313 3.124 3.329 0.029 1 0 "[ . 1 . 2]" 1
575 1 63 LYS H 1 63 LYS HA 1.800 . 3.000 2.932 2.925 2.935 . 0 0 "[ . 1 . 2]" 1
576 1 63 LYS H 1 63 LYS HB2 1.800 . 3.000 2.362 2.349 2.427 . 0 0 "[ . 1 . 2]" 1
577 1 63 LYS H 1 63 LYS HB3 1.800 . 3.600 3.607 3.599 3.646 0.046 19 0 "[ . 1 . 2]" 1
578 1 63 LYS H 1 63 LYS HG2 1.800 . 4.300 4.311 4.300 4.322 0.022 19 0 "[ . 1 . 2]" 1
579 1 63 LYS H 1 64 ARG H 1.800 . 3.300 2.933 2.890 2.959 . 0 0 "[ . 1 . 2]" 1
580 1 63 LYS H 1 64 ARG HB3 1.800 . 5.300 5.155 5.104 5.184 . 0 0 "[ . 1 . 2]" 1
581 1 63 LYS HA 1 64 ARG H 1.800 . 3.000 2.848 2.836 2.868 . 0 0 "[ . 1 . 2]" 1
582 1 63 LYS HA 1 67 ASP H 1.800 . 4.300 4.233 4.200 4.278 . 0 0 "[ . 1 . 2]" 1
583 1 63 LYS HB2 1 64 ARG H 1.800 . 4.300 4.211 4.171 4.227 . 0 0 "[ . 1 . 2]" 1
584 1 63 LYS HB3 1 64 ARG H 1.800 . 4.500 4.389 4.382 4.421 . 0 0 "[ . 1 . 2]" 1
585 1 63 LYS QD 1 64 ARG H 1.800 . 5.000 4.657 4.568 5.004 0.004 19 0 "[ . 1 . 2]" 1
586 1 63 LYS HG2 1 67 ASP H 1.800 . 5.500 5.505 5.477 5.512 0.012 7 0 "[ . 1 . 2]" 1
587 1 64 ARG H 1 64 ARG HB3 1.800 . 3.600 2.823 2.809 2.834 . 0 0 "[ . 1 . 2]" 1
588 1 64 ARG H 1 64 ARG HD2 1.800 . 3.100 3.043 2.799 3.128 0.028 6 0 "[ . 1 . 2]" 1
589 1 64 ARG H 1 64 ARG HD3 1.800 . 3.100 2.422 2.257 2.735 . 0 0 "[ . 1 . 2]" 1
590 1 64 ARG HA 1 66 LYS H 1.800 . 4.600 4.620 4.609 4.630 0.030 13 0 "[ . 1 . 2]" 1
591 1 64 ARG HD2 1 65 LEU H 1.800 . 4.600 4.456 4.405 4.482 . 0 0 "[ . 1 . 2]" 1
592 1 64 ARG HG3 1 66 LYS H 1.800 . 4.800 4.866 4.838 4.891 0.091 8 0 "[ . 1 . 2]" 1
593 1 65 LEU H 1 65 LEU HA 1.800 . 3.000 2.842 2.841 2.845 . 0 0 "[ . 1 . 2]" 1
594 1 65 LEU H 1 65 LEU HB3 1.800 . 3.100 2.798 2.777 2.814 . 0 0 "[ . 1 . 2]" 1
595 1 65 LEU H 1 66 LYS H 1.800 . 3.000 2.544 2.536 2.550 . 0 0 "[ . 1 . 2]" 1
596 1 65 LEU H 1 66 LYS HB2 1.800 . 4.500 4.320 4.311 4.327 . 0 0 "[ . 1 . 2]" 1
597 1 65 LEU H 1 67 ASP H 1.800 . 4.300 4.057 4.047 4.070 . 0 0 "[ . 1 . 2]" 1
598 1 65 LEU H 1 67 ASP HB2 1.800 . 5.300 5.201 5.173 5.237 . 0 0 "[ . 1 . 2]" 1
599 1 65 LEU H 1 68 TYR H 1.800 . 5.100 4.973 4.930 5.032 . 0 0 "[ . 1 . 2]" 1
600 1 65 LEU HA 1 66 LYS H 1.800 . 3.500 3.511 3.510 3.513 0.013 13 0 "[ . 1 . 2]" 1
601 1 65 LEU HA 1 67 ASP H 1.800 . 3.800 3.825 3.800 3.853 0.053 16 0 "[ . 1 . 2]" 1
602 1 65 LEU HA 1 68 TYR H 1.800 . 3.300 3.178 3.148 3.214 . 0 0 "[ . 1 . 2]" 1
603 1 65 LEU HB2 1 66 LYS H 1.800 . 3.800 3.689 3.674 3.706 . 0 0 "[ . 1 . 2]" 1
604 1 65 LEU HB2 1 68 TYR H 1.800 . 5.500 5.500 5.480 5.514 0.014 19 0 "[ . 1 . 2]" 1
605 1 65 LEU QD 1 67 ASP H 1.800 . 5.300 4.653 4.611 4.701 . 0 0 "[ . 1 . 2]" 1
606 1 65 LEU HG 1 68 TYR H 1.800 . 4.800 4.816 4.739 4.845 0.045 9 0 "[ . 1 . 2]" 1
607 1 66 LYS H 1 66 LYS HA 1.800 . 3.000 2.794 2.789 2.796 . 0 0 "[ . 1 . 2]" 1
608 1 66 LYS H 1 66 LYS HB2 1.800 . 3.100 2.060 2.058 2.062 . 0 0 "[ . 1 . 2]" 1
609 1 66 LYS H 1 66 LYS HB3 1.800 . 3.300 3.289 3.268 3.299 . 0 0 "[ . 1 . 2]" 1
610 1 66 LYS H 1 66 LYS HG2 1.800 . 3.800 3.765 3.727 3.794 . 0 0 "[ . 1 . 2]" 1
611 1 66 LYS H 1 67 ASP H 1.800 . 3.000 2.669 2.664 2.679 . 0 0 "[ . 1 . 2]" 1
612 1 66 LYS H 1 67 ASP HB2 1.800 . 4.600 4.586 4.556 4.600 0.000 13 0 "[ . 1 . 2]" 1
613 1 66 LYS H 1 68 TYR H 1.800 . 4.000 4.015 3.980 4.041 0.041 5 0 "[ . 1 . 2]" 1
614 1 66 LYS HA 1 67 ASP H 1.800 . 3.500 3.467 3.463 3.474 . 0 0 "[ . 1 . 2]" 1
615 1 66 LYS HB2 1 67 ASP H 1.800 . 3.400 3.390 3.370 3.399 . 0 0 "[ . 1 . 2]" 1
616 1 66 LYS HB3 1 67 ASP H 1.800 . 3.300 3.274 3.225 3.300 . 0 0 "[ . 1 . 2]" 1
617 1 66 LYS HG2 1 67 ASP H 1.800 . 5.000 4.998 4.994 5.001 0.001 4 0 "[ . 1 . 2]" 1
618 1 67 ASP H 1 67 ASP HB2 1.800 . 3.000 2.172 2.155 2.188 . 0 0 "[ . 1 . 2]" 1
619 1 67 ASP H 1 67 ASP HB3 1.800 . 3.500 3.456 3.429 3.474 . 0 0 "[ . 1 . 2]" 1
620 1 67 ASP H 1 68 TYR H 1.800 . 3.000 2.360 2.343 2.377 . 0 0 "[ . 1 . 2]" 1
621 1 67 ASP H 1 68 TYR HB3 1.800 . 4.800 4.626 4.566 4.691 . 0 0 "[ . 1 . 2]" 1
622 1 67 ASP H 1 69 GLN H 1.800 . 4.100 4.040 3.974 4.133 0.033 19 0 "[ . 1 . 2]" 1
623 1 67 ASP HA 1 68 TYR H 1.800 . 3.400 3.404 3.383 3.427 0.027 5 0 "[ . 1 . 2]" 1
624 1 67 ASP HA 1 69 GLN H 1.800 . 3.800 3.805 3.741 3.835 0.035 17 0 "[ . 1 . 2]" 1
625 1 67 ASP HA 1 69 GLN QE 1.800 . 6.300 5.062 4.911 5.156 . 0 0 "[ . 1 . 2]" 1
626 1 67 ASP HB3 1 68 TYR H 1.800 . 3.800 3.731 3.641 3.793 . 0 0 "[ . 1 . 2]" 1
627 1 68 TYR H 1 68 TYR HA 1.800 . 3.000 2.875 2.863 2.887 . 0 0 "[ . 1 . 2]" 1
628 1 68 TYR H 1 68 TYR HB2 1.800 . 3.000 2.645 2.589 2.696 . 0 0 "[ . 1 . 2]" 1
629 1 68 TYR H 1 68 TYR HB3 1.800 . 3.000 2.489 2.435 2.542 . 0 0 "[ . 1 . 2]" 1
630 1 68 TYR H 1 69 GLN H 1.800 . 3.000 2.412 2.366 2.453 . 0 0 "[ . 1 . 2]" 1
631 1 68 TYR H 1 70 MET H 1.800 . 4.100 3.966 3.921 4.002 . 0 0 "[ . 1 . 2]" 1
632 1 68 TYR H 1 70 MET HB2 1.800 . 5.800 5.702 5.567 5.806 0.006 17 0 "[ . 1 . 2]" 1
633 1 68 TYR H 1 70 MET HG2 1.800 . 4.300 4.300 4.221 4.336 0.036 17 0 "[ . 1 . 2]" 1
634 1 68 TYR HA 1 69 GLN H 1.800 . 3.500 3.427 3.413 3.442 . 0 0 "[ . 1 . 2]" 1
635 1 68 TYR HA 1 69 GLN QE 1.800 . 6.300 6.270 5.440 6.424 0.124 5 0 "[ . 1 . 2]" 1
636 1 68 TYR HB2 1 69 GLN H 1.800 . 4.200 4.139 4.112 4.170 . 0 0 "[ . 1 . 2]" 1
637 1 68 TYR HB3 1 69 GLN H 1.800 . 3.300 3.103 3.053 3.148 . 0 0 "[ . 1 . 2]" 1
638 1 68 TYR HB3 1 70 MET H 1.800 . 5.000 4.994 4.945 5.018 0.018 8 0 "[ . 1 . 2]" 1
639 1 69 GLN H 1 69 GLN HA 1.800 . 3.000 2.889 2.877 2.898 . 0 0 "[ . 1 . 2]" 1
640 1 69 GLN H 1 70 MET H 1.800 . 3.000 2.400 2.362 2.428 . 0 0 "[ . 1 . 2]" 1
641 1 69 GLN H 1 70 MET HB2 1.800 . 5.000 4.917 4.849 4.990 . 0 0 "[ . 1 . 2]" 1
642 1 69 GLN H 1 70 MET HG2 1.800 . 3.500 3.301 3.250 3.354 . 0 0 "[ . 1 . 2]" 1
643 1 69 GLN H 1 70 MET HG3 1.800 . 5.300 4.993 4.788 5.089 . 0 0 "[ . 1 . 2]" 1
644 1 69 GLN HA 1 69 GLN QE 1.800 . 6.300 4.166 3.721 4.425 . 0 0 "[ . 1 . 2]" 1
645 1 69 GLN HA 1 70 MET H 1.800 . 3.300 3.356 3.315 3.382 0.082 17 0 "[ . 1 . 2]" 1
646 1 69 GLN QE 1 70 MET HG2 1.800 . 6.000 4.187 2.862 4.709 . 0 0 "[ . 1 . 2]" 1
647 1 69 GLN QE 1 70 MET HG3 1.800 . 6.000 5.433 4.050 6.100 0.100 19 0 "[ . 1 . 2]" 1
648 1 70 MET H 1 70 MET HA 1.800 . 3.000 2.884 2.874 2.885 . 0 0 "[ . 1 . 2]" 1
649 1 70 MET H 1 70 MET HB3 1.800 . 3.800 3.618 3.612 3.622 . 0 0 "[ . 1 . 2]" 1
650 1 70 MET H 1 70 MET HG3 1.800 . 3.600 3.473 3.359 3.494 . 0 0 "[ . 1 . 2]" 1
651 1 70 MET HB2 1 71 SER H 1.800 . 3.000 2.183 2.161 2.199 . 0 0 "[ . 1 . 2]" 1
652 1 70 MET HG2 1 71 SER H 1.800 . 3.800 3.755 3.666 3.919 0.119 16 0 "[ . 1 . 2]" 1
653 1 70 MET HG2 1 72 ALA H 1.800 . 5.300 5.192 5.131 5.301 0.001 16 0 "[ . 1 . 2]" 1
654 1 70 MET HG3 1 71 SER H 1.800 . 4.300 4.367 4.291 4.385 0.085 2 0 "[ . 1 . 2]" 1
655 1 71 SER H 1 71 SER HB2 1.800 . 3.800 3.663 3.647 3.690 . 0 0 "[ . 1 . 2]" 1
656 1 71 SER H 1 72 ALA H 1.800 . 3.000 2.764 2.754 2.780 . 0 0 "[ . 1 . 2]" 1
657 1 71 SER HA 1 72 ALA H 1.800 . 3.000 2.875 2.869 2.883 . 0 0 "[ . 1 . 2]" 1
658 1 71 SER HA 1 73 GLY H 1.800 . 4.400 4.324 4.298 4.404 0.004 9 0 "[ . 1 . 2]" 1
659 1 71 SER HB2 1 72 ALA H 1.800 . 4.000 4.139 4.131 4.144 0.144 19 0 "[ . 1 . 2]" 1
660 1 72 ALA H 1 72 ALA HA 1.800 . 3.000 2.798 2.796 2.799 . 0 0 "[ . 1 . 2]" 1
661 1 72 ALA H 1 72 ALA MB 1.800 . 3.300 2.896 2.882 2.919 . 0 0 "[ . 1 . 2]" 1
662 1 72 ALA HA 1 73 GLY H 1.800 . 3.000 2.734 2.667 2.751 . 0 0 "[ . 1 . 2]" 1
663 1 72 ALA MB 1 73 GLY H 1.800 . 4.400 3.707 3.702 3.720 . 0 0 "[ . 1 . 2]" 1
664 1 73 GLY H 1 73 GLY HA2 1.800 . 3.000 2.956 2.954 2.957 . 0 0 "[ . 1 . 2]" 1
665 1 73 GLY H 1 74 ALA H 1.800 . 4.300 4.229 4.204 4.256 . 0 0 "[ . 1 . 2]" 1
666 1 73 GLY HA2 1 74 ALA H 1.800 . 3.000 2.144 2.140 2.152 . 0 0 "[ . 1 . 2]" 1
667 1 73 GLY HA3 1 74 ALA H 1.800 . 3.300 3.313 3.296 3.348 0.048 16 0 "[ . 1 . 2]" 1
668 1 74 ALA H 1 74 ALA HA 1.800 . 3.000 2.811 2.809 2.816 . 0 0 "[ . 1 . 2]" 1
669 1 74 ALA H 1 74 ALA MB 1.800 . 3.000 2.100 2.027 2.234 . 0 0 "[ . 1 . 2]" 1
670 1 74 ALA H 1 75 THR H 1.800 . 4.800 4.591 4.585 4.596 . 0 0 "[ . 1 . 2]" 1
671 1 74 ALA H 1 75 THR HA 1.800 . 5.500 5.504 5.496 5.507 0.007 17 0 "[ . 1 . 2]" 1
672 1 74 ALA HA 1 75 THR H 1.800 . 3.000 2.180 2.175 2.187 . 0 0 "[ . 1 . 2]" 1
673 1 74 ALA HA 1 76 PHE H 1.800 . 6.300 6.203 6.193 6.212 . 0 0 "[ . 1 . 2]" 1
674 1 74 ALA MB 1 75 THR H 1.800 . 3.300 3.003 2.951 3.031 . 0 0 "[ . 1 . 2]" 1
675 1 75 THR H 1 75 THR HA 1.800 . 3.000 2.948 2.947 2.949 . 0 0 "[ . 1 . 2]" 1
676 1 75 THR H 1 75 THR HB 1.800 . 3.400 3.364 3.321 3.398 . 0 0 "[ . 1 . 2]" 1
677 1 75 THR H 1 75 THR MG 1.800 . 4.200 3.726 3.691 3.770 . 0 0 "[ . 1 . 2]" 1
678 1 75 THR HA 1 76 PHE H 1.800 . 3.000 2.206 2.203 2.207 . 0 0 "[ . 1 . 2]" 1
679 1 75 THR HB 1 76 PHE H 1.800 . 3.300 3.300 3.264 3.339 0.039 9 0 "[ . 1 . 2]" 1
680 1 75 THR MG 1 76 PHE H 1.800 . 3.000 2.819 2.748 2.976 . 0 0 "[ . 1 . 2]" 1
681 1 75 THR MG 1 77 HIS H 1.800 . 5.800 5.307 5.236 5.388 . 0 0 "[ . 1 . 2]" 1
682 1 76 PHE H 1 76 PHE HA 1.800 . 3.000 2.942 2.941 2.943 . 0 0 "[ . 1 . 2]" 1
683 1 76 PHE H 1 76 PHE HB3 1.800 . 3.000 2.665 2.587 2.966 . 0 0 "[ . 1 . 2]" 1
684 1 76 PHE H 1 77 HIS H 1.800 . 4.200 4.131 4.119 4.138 . 0 0 "[ . 1 . 2]" 1
685 1 76 PHE HA 1 77 HIS H 1.800 . 3.000 2.142 2.142 2.144 . 0 0 "[ . 1 . 2]" 1
686 1 76 PHE HB3 1 77 HIS H 1.800 . 4.500 4.386 4.138 4.460 . 0 0 "[ . 1 . 2]" 1
687 1 77 HIS H 1 77 HIS HA 1.800 . 3.000 2.909 2.907 2.911 . 0 0 "[ . 1 . 2]" 1
688 1 77 HIS H 1 78 MET H 1.800 . 4.600 4.575 4.569 4.579 . 0 0 "[ . 1 . 2]" 1
689 1 77 HIS H 1 78 MET HA 1.800 . 5.300 5.252 5.242 5.260 . 0 0 "[ . 1 . 2]" 1
690 1 77 HIS HA 1 78 MET H 1.800 . 3.000 2.232 2.222 2.240 . 0 0 "[ . 1 . 2]" 1
691 1 77 HIS HB2 1 78 MET H 1.800 . 4.100 4.020 3.993 4.059 . 0 0 "[ . 1 . 2]" 1
692 1 77 HIS HB3 1 78 MET H 1.800 . 3.000 2.912 2.891 2.944 . 0 0 "[ . 1 . 2]" 1
693 1 78 MET H 1 78 MET HB2 1.800 . 3.300 3.171 3.163 3.180 . 0 0 "[ . 1 . 2]" 1
694 1 78 MET H 1 78 MET HB3 1.800 . 3.000 2.663 2.655 2.669 . 0 0 "[ . 1 . 2]" 1
695 1 78 MET H 1 78 MET HG2 1.800 . 4.600 4.612 4.605 4.617 0.017 15 0 "[ . 1 . 2]" 1
696 1 78 MET H 1 78 MET HG3 1.800 . 4.500 4.473 4.463 4.481 . 0 0 "[ . 1 . 2]" 1
697 1 78 MET H 1 79 VAL H 1.800 . 4.300 4.335 4.314 4.353 0.053 18 0 "[ . 1 . 2]" 1
698 1 78 MET H 1 79 VAL HA 1.800 . 5.000 4.885 4.850 4.928 . 0 0 "[ . 1 . 2]" 1
699 1 78 MET HA 1 79 VAL H 1.800 . 3.000 2.165 2.157 2.174 . 0 0 "[ . 1 . 2]" 1
700 1 78 MET HA 1 80 VAL H 1.800 . 5.700 5.699 5.682 5.715 0.015 8 0 "[ . 1 . 2]" 1
701 1 78 MET HB2 1 79 VAL H 1.800 . 4.300 4.169 4.140 4.201 . 0 0 "[ . 1 . 2]" 1
702 1 78 MET HB3 1 79 VAL H 1.800 . 4.300 4.172 4.140 4.201 . 0 0 "[ . 1 . 2]" 1
703 1 78 MET HG2 1 79 VAL H 1.800 . 4.300 3.927 3.866 3.991 . 0 0 "[ . 1 . 2]" 1
704 1 78 MET HG3 1 79 VAL H 1.800 . 3.000 2.414 2.338 2.492 . 0 0 "[ . 1 . 2]" 1
705 1 78 MET HG3 1 80 VAL H 1.800 . 4.300 4.284 4.248 4.316 0.016 8 0 "[ . 1 . 2]" 1
706 1 79 VAL H 1 79 VAL HA 1.800 . 3.000 2.943 2.934 2.949 . 0 0 "[ . 1 . 2]" 1
707 1 79 VAL H 1 79 VAL QG 1.800 . 3.300 2.441 2.012 2.833 . 0 0 "[ . 1 . 2]" 1
708 1 79 VAL H 1 80 VAL H 1.800 . 4.100 4.094 4.030 4.148 0.048 19 0 "[ . 1 . 2]" 1
709 1 79 VAL HA 1 80 VAL H 1.800 . 3.000 2.150 2.148 2.151 . 0 0 "[ . 1 . 2]" 1
710 1 80 VAL H 1 80 VAL HA 1.800 . 3.000 2.927 2.914 2.940 . 0 0 "[ . 1 . 2]" 1
711 1 80 VAL H 1 80 VAL HB 1.800 . 3.300 2.919 2.780 3.045 . 0 0 "[ . 1 . 2]" 1
712 1 80 VAL H 1 80 VAL QG 1.800 . 3.000 1.921 1.895 1.965 . 0 0 "[ . 1 . 2]" 1
713 1 80 VAL H 1 81 ALA H 1.800 . 4.300 4.259 4.231 4.322 0.022 18 0 "[ . 1 . 2]" 1
714 1 80 VAL HA 1 81 ALA H 1.800 . 3.000 2.161 2.145 2.169 . 0 0 "[ . 1 . 2]" 1
715 1 80 VAL HA 1 82 LEU H 1.800 . 5.500 5.298 5.279 5.335 . 0 0 "[ . 1 . 2]" 1
716 1 80 VAL HB 1 81 ALA H 1.800 . 4.400 4.301 4.227 4.369 . 0 0 "[ . 1 . 2]" 1
717 1 80 VAL HB 1 82 LEU H 1.800 . 6.400 5.808 5.072 6.272 . 0 0 "[ . 1 . 2]" 1
718 1 80 VAL QG 1 81 ALA H 1.800 . 3.500 2.972 2.860 3.147 . 0 0 "[ . 1 . 2]" 1
719 1 81 ALA H 1 81 ALA HA 1.800 . 3.000 2.948 2.947 2.950 . 0 0 "[ . 1 . 2]" 1
720 1 81 ALA H 1 81 ALA MB 1.800 . 3.000 2.482 2.411 2.525 . 0 0 "[ . 1 . 2]" 1
721 1 81 ALA H 1 82 LEU H 1.800 . 4.000 4.011 3.984 4.037 0.037 6 0 "[ . 1 . 2]" 1
722 1 81 ALA HA 1 82 LEU H 1.800 . 3.000 2.191 2.187 2.193 . 0 0 "[ . 1 . 2]" 1
723 1 81 ALA MB 1 82 LEU H 1.800 . 4.000 3.485 3.472 3.492 . 0 0 "[ . 1 . 2]" 1
724 1 82 LEU H 1 82 LEU QD 1.800 . 3.000 2.731 1.994 2.967 . 0 0 "[ . 1 . 2]" 1
725 1 82 LEU H 1 83 ARG HB2 1.800 . 4.500 3.848 3.757 3.952 . 0 0 "[ . 1 . 2]" 1
726 1 83 ARG H 1 83 ARG HA 1.800 . 3.000 2.881 2.860 2.901 . 0 0 "[ . 1 . 2]" 1
727 1 83 ARG H 1 83 ARG HB2 1.800 . 3.300 2.168 2.112 2.274 . 0 0 "[ . 1 . 2]" 1
728 1 83 ARG H 1 83 ARG QD 1.800 . 3.800 3.529 2.783 3.824 0.024 6 0 "[ . 1 . 2]" 1
729 1 83 ARG HA 1 84 ALA H 1.800 . 3.800 3.568 3.565 3.571 . 0 0 "[ . 1 . 2]" 1
730 1 83 ARG HB2 1 84 ALA H 1.800 . 3.300 2.918 2.368 3.280 . 0 0 "[ . 1 . 2]" 1
731 1 83 ARG HB3 1 84 ALA H 1.800 . 3.000 2.580 2.247 3.038 0.038 6 0 "[ . 1 . 2]" 1
732 1 84 ALA H 1 84 ALA MB 1.800 . 3.800 2.765 2.690 2.839 . 0 0 "[ . 1 . 2]" 1
733 1 84 ALA HA 1 85 GLY H 1.800 . 3.000 2.363 2.313 2.399 . 0 0 "[ . 1 . 2]" 1
734 1 84 ALA MB 1 85 GLY H 1.800 . 3.000 2.538 2.402 2.690 . 0 0 "[ . 1 . 2]" 1
735 1 85 GLY H 1 85 GLY HA2 1.800 . 3.000 2.623 2.351 2.908 . 0 0 "[ . 1 . 2]" 1
736 1 85 GLY H 1 86 CYS H 1.800 . 3.000 2.496 1.929 2.970 . 0 0 "[ . 1 . 2]" 1
737 1 85 GLY HA2 1 86 CYS H 1.800 . 3.000 2.621 2.339 2.983 . 0 0 "[ . 1 . 2]" 1
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