NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
521429 |
2l6k   |
17314 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l6k
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 824
_Distance_constraint_stats_list.Viol_count 1481
_Distance_constraint_stats_list.Viol_total 1425.647
_Distance_constraint_stats_list.Viol_max 0.261
_Distance_constraint_stats_list.Viol_rms 0.0196
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0043
_Distance_constraint_stats_list.Viol_average_violations_only 0.0481
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 SER 0.376 0.142 17 0 "[ . 1 . 2]"
1 5 LYS 0.064 0.012 12 0 "[ . 1 . 2]"
1 6 PHE 0.028 0.028 5 0 "[ . 1 . 2]"
1 7 TRP 0.007 0.003 13 0 "[ . 1 . 2]"
1 8 TYR 0.488 0.142 17 0 "[ . 1 . 2]"
1 9 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 HIS 1.676 0.108 17 0 "[ . 1 . 2]"
1 12 LEU 0.044 0.008 11 0 "[ . 1 . 2]"
1 13 SER 0.075 0.026 16 0 "[ . 1 . 2]"
1 14 ARG 1.960 0.073 15 0 "[ . 1 . 2]"
1 15 ASP 2.915 0.119 20 0 "[ . 1 . 2]"
1 16 GLN 3.882 0.139 9 0 "[ . 1 . 2]"
1 17 ALA 5.795 0.128 13 0 "[ . 1 . 2]"
1 18 ILE 4.010 0.119 20 0 "[ . 1 . 2]"
1 19 ALA 7.424 0.160 9 0 "[ . 1 . 2]"
1 20 LEU 2.140 0.128 13 0 "[ . 1 . 2]"
1 21 LEU 2.839 0.067 19 0 "[ . 1 . 2]"
1 22 LYS 2.500 0.160 9 0 "[ . 1 . 2]"
1 23 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LYS 3.356 0.143 3 0 "[ . 1 . 2]"
1 25 ASP 1.034 0.172 13 0 "[ . 1 . 2]"
1 26 PRO 2.677 0.143 3 0 "[ . 1 . 2]"
1 27 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ALA 1.060 0.172 13 0 "[ . 1 . 2]"
1 29 PHE 0.688 0.041 10 0 "[ . 1 . 2]"
1 30 LEU 0.980 0.050 20 0 "[ . 1 . 2]"
1 31 ILE 0.038 0.010 18 0 "[ . 1 . 2]"
1 32 ARG 0.704 0.060 11 0 "[ . 1 . 2]"
1 33 ASP 1.706 0.108 17 0 "[ . 1 . 2]"
1 34 SER 0.421 0.039 13 0 "[ . 1 . 2]"
1 35 HIS 3.283 0.165 13 0 "[ . 1 . 2]"
1 36 SER 3.283 0.165 13 0 "[ . 1 . 2]"
1 37 PHE 0.000 0.000 3 0 "[ . 1 . 2]"
1 38 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ALA 1.058 0.064 9 0 "[ . 1 . 2]"
1 41 TYR 1.250 0.064 9 0 "[ . 1 . 2]"
1 42 GLY 1.088 0.060 11 0 "[ . 1 . 2]"
1 43 LEU 1.219 0.057 13 0 "[ . 1 . 2]"
1 44 ALA 1.113 0.064 5 0 "[ . 1 . 2]"
1 45 LEU 1.531 0.064 5 0 "[ . 1 . 2]"
1 46 LYS 2.608 0.112 18 0 "[ . 1 . 2]"
1 47 VAL 2.449 0.112 18 0 "[ . 1 . 2]"
1 48 ALA 0.369 0.096 6 0 "[ . 1 . 2]"
1 49 THR 0.747 0.256 13 0 "[ . 1 . 2]"
1 50 PRO 0.751 0.256 13 0 "[ . 1 . 2]"
1 52 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 SER 0.282 0.209 2 0 "[ . 1 . 2]"
1 54 ALA 0.317 0.209 2 0 "[ . 1 . 2]"
1 55 GLN 0.167 0.095 2 0 "[ . 1 . 2]"
1 56 PRO 0.095 0.095 2 0 "[ . 1 . 2]"
1 57 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ASP 0.055 0.055 12 0 "[ . 1 . 2]"
1 61 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 VAL 0.032 0.014 10 0 "[ . 1 . 2]"
1 63 GLU 0.002 0.002 8 0 "[ . 1 . 2]"
1 64 GLN 0.016 0.012 11 0 "[ . 1 . 2]"
1 65 LEU 0.019 0.014 10 0 "[ . 1 . 2]"
1 66 VAL 0.396 0.027 8 0 "[ . 1 . 2]"
1 67 ARG 0.585 0.062 15 0 "[ . 1 . 2]"
1 68 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 PHE 0.944 0.057 13 0 "[ . 1 . 2]"
1 70 LEU 0.958 0.067 12 0 "[ . 1 . 2]"
1 71 ILE 3.508 0.118 15 0 "[ . 1 . 2]"
1 72 GLU 3.778 0.126 14 0 "[ . 1 . 2]"
1 73 THR 0.298 0.021 12 0 "[ . 1 . 2]"
1 74 GLY 0.021 0.014 13 0 "[ . 1 . 2]"
1 75 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 GLY 1.040 0.096 18 0 "[ . 1 . 2]"
1 78 VAL 2.938 0.148 14 0 "[ . 1 . 2]"
1 79 LYS 3.982 0.258 18 0 "[ . 1 . 2]"
1 80 ILE 1.324 0.157 15 0 "[ . 1 . 2]"
1 81 LYS 0.894 0.157 15 0 "[ . 1 . 2]"
1 82 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 CYS 0.127 0.063 11 0 "[ . 1 . 2]"
1 85 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 GLU 0.063 0.063 11 0 "[ . 1 . 2]"
1 87 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 TYR 2.613 0.258 18 0 "[ . 1 . 2]"
1 89 PHE 2.942 0.148 14 0 "[ . 1 . 2]"
1 90 GLY 2.777 0.140 8 0 "[ . 1 . 2]"
1 91 SER 0.671 0.047 11 0 "[ . 1 . 2]"
1 92 LEU 1.432 0.261 7 0 "[ . 1 . 2]"
1 93 SER 6.411 0.157 13 0 "[ . 1 . 2]"
1 94 ALA 2.198 0.112 18 0 "[ . 1 . 2]"
1 95 LEU 9.389 0.179 7 0 "[ . 1 . 2]"
1 96 VAL 2.733 0.144 7 0 "[ . 1 . 2]"
1 97 SER 3.014 0.112 18 0 "[ . 1 . 2]"
1 98 GLN 3.613 0.128 18 0 "[ . 1 . 2]"
1 99 HIS 1.636 0.112 11 0 "[ . 1 . 2]"
1 100 SER 0.302 0.083 15 0 "[ . 1 . 2]"
1 101 ILE 1.570 0.128 18 0 "[ . 1 . 2]"
1 102 SER 0.951 0.076 10 0 "[ . 1 . 2]"
1 103 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 ILE 0.391 0.053 12 0 "[ . 1 . 2]"
1 105 SER 0.015 0.015 20 0 "[ . 1 . 2]"
1 106 LEU 0.191 0.021 14 0 "[ . 1 . 2]"
1 107 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 CYS 0.248 0.047 18 0 "[ . 1 . 2]"
1 109 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 LEU 1.076 0.116 11 0 "[ . 1 . 2]"
1 111 ARG 0.014 0.014 13 0 "[ . 1 . 2]"
1 112 ILE 1.150 0.231 14 0 "[ . 1 . 2]"
1 113 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 SER 0.514 0.154 20 0 "[ . 1 . 2]"
1 115 LYS 0.500 0.154 20 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 2 ASP HA 1 3 THR MG 1.800 . 5.600 4.683 3.587 5.454 . 0 0 "[ . 1 . 2]" 1
2 1 2 ASP HA 1 3 THR H 1.800 . 4.000 2.323 2.141 2.951 . 0 0 "[ . 1 . 2]" 1
3 1 2 ASP HB3 1 3 THR H 1.800 . 5.000 3.911 2.074 4.595 . 0 0 "[ . 1 . 2]" 1
4 1 3 THR H 1 3 THR MG 1.800 . 4.000 3.292 1.930 3.859 . 0 0 "[ . 1 . 2]" 1
5 1 3 THR H 1 4 SER H 1.800 . 6.000 4.510 4.419 4.633 . 0 0 "[ . 1 . 2]" 1
6 1 3 THR HA 1 4 SER H 1.800 . 4.000 2.391 2.181 2.494 . 0 0 "[ . 1 . 2]" 1
7 1 3 THR MG 1 4 SER H 1.800 . 5.000 2.945 2.016 3.919 . 0 0 "[ . 1 . 2]" 1
8 1 4 SER H 1 4 SER HB3 1.800 . 3.600 2.806 2.145 3.592 . 0 0 "[ . 1 . 2]" 1
9 1 4 SER H 1 5 LYS H 1.800 . 3.600 2.647 2.576 2.703 . 0 0 "[ . 1 . 2]" 1
10 1 3 THR HA 1 5 LYS H 1.800 . 4.400 4.125 3.870 4.259 . 0 0 "[ . 1 . 2]" 1
11 1 4 SER HA 1 5 LYS H 1.800 . 3.600 3.473 3.414 3.531 . 0 0 "[ . 1 . 2]" 1
12 1 4 SER HB3 1 5 LYS H 1.800 . 4.600 3.949 2.940 4.306 . 0 0 "[ . 1 . 2]" 1
13 1 5 LYS H 1 5 LYS HB3 1.800 . 3.600 3.232 2.465 3.594 . 0 0 "[ . 1 . 2]" 1
14 1 5 LYS H 1 5 LYS HG3 1.800 . 4.000 3.056 2.212 3.864 . 0 0 "[ . 1 . 2]" 1
15 1 5 LYS H 1 6 PHE H 1.800 . 3.200 2.588 2.564 2.687 . 0 0 "[ . 1 . 2]" 1
16 1 5 LYS H 1 6 PHE HA 1.800 . 6.000 5.213 5.197 5.257 . 0 0 "[ . 1 . 2]" 1
17 1 5 LYS H 1 7 TRP H 1.800 . 4.600 4.038 3.945 4.457 . 0 0 "[ . 1 . 2]" 1
18 1 4 SER HA 1 6 PHE H 1.800 . 4.400 3.856 3.471 4.063 . 0 0 "[ . 1 . 2]" 1
19 1 5 LYS HA 1 6 PHE H 1.800 . 3.600 3.466 3.429 3.512 . 0 0 "[ . 1 . 2]" 1
20 1 5 LYS HB3 1 6 PHE H 1.800 . 5.000 3.849 3.352 4.142 . 0 0 "[ . 1 . 2]" 1
21 1 5 LYS HG3 1 6 PHE H 1.800 . 5.600 4.236 2.132 5.451 . 0 0 "[ . 1 . 2]" 1
22 1 6 PHE H 1 7 TRP HA 1.800 . 5.600 5.010 4.949 5.261 . 0 0 "[ . 1 . 2]" 1
23 1 5 LYS HA 1 7 TRP H 1.800 . 4.400 4.278 4.057 4.403 0.003 13 0 "[ . 1 . 2]" 1
24 1 6 PHE H 1 7 TRP H 1.800 . 3.200 2.318 2.247 2.630 . 0 0 "[ . 1 . 2]" 1
25 1 6 PHE HA 1 7 TRP H 1.800 . 3.600 3.478 3.453 3.517 . 0 0 "[ . 1 . 2]" 1
26 1 7 TRP H 1 30 LEU HA 1.800 . 6.000 5.824 5.712 5.945 . 0 0 "[ . 1 . 2]" 1
27 1 4 SER HA 1 8 TYR H 1.800 . 4.200 4.211 4.099 4.342 0.142 17 0 "[ . 1 . 2]" 1
28 1 5 LYS HA 1 8 TYR H 1.800 . 3.600 3.531 2.939 3.612 0.012 12 0 "[ . 1 . 2]" 1
29 1 6 PHE H 1 8 TYR H 1.800 . 4.600 3.639 3.562 3.727 . 0 0 "[ . 1 . 2]" 1
30 1 6 PHE HA 1 8 TYR H 1.800 . 4.400 3.895 3.807 4.428 0.028 5 0 "[ . 1 . 2]" 1
31 1 7 TRP H 1 8 TYR H 1.800 . 3.600 2.289 2.001 2.393 . 0 0 "[ . 1 . 2]" 1
32 1 7 TRP HA 1 8 TYR H 1.800 . 3.600 3.315 3.290 3.392 . 0 0 "[ . 1 . 2]" 1
33 1 8 TYR H 1 8 TYR HB3 1.800 . 3.200 2.518 2.451 2.707 . 0 0 "[ . 1 . 2]" 1
34 1 8 TYR H 1 9 LYS H 1.800 . 4.400 4.210 4.191 4.278 . 0 0 "[ . 1 . 2]" 1
35 1 8 TYR H 1 31 ILE HB 1.800 . 5.600 5.391 4.759 5.610 0.010 18 0 "[ . 1 . 2]" 1
36 1 7 TRP HA 1 9 LYS H 1.800 . 6.000 5.362 5.322 5.393 . 0 0 "[ . 1 . 2]" 1
37 1 8 TYR HA 1 9 LYS H 1.800 . 3.200 2.148 2.146 2.150 . 0 0 "[ . 1 . 2]" 1
38 1 8 TYR HB3 1 9 LYS H 1.800 . 5.000 4.413 4.283 4.445 . 0 0 "[ . 1 . 2]" 1
39 1 9 LYS H 1 9 LYS HG3 1.800 . 4.600 3.964 3.225 4.584 . 0 0 "[ . 1 . 2]" 1
40 1 9 LYS H 1 10 PRO HA 1.800 . 5.000 4.688 4.679 4.696 . 0 0 "[ . 1 . 2]" 1
41 1 9 LYS H 1 30 LEU HA 1.800 . 6.000 5.688 5.505 5.930 . 0 0 "[ . 1 . 2]" 1
42 1 9 LYS H 1 31 ILE H 1.800 . 4.000 3.713 3.585 3.812 . 0 0 "[ . 1 . 2]" 1
43 1 9 LYS H 1 31 ILE HB 1.800 . 5.000 3.964 3.274 4.255 . 0 0 "[ . 1 . 2]" 1
44 1 9 LYS H 1 32 ARG HA 1.800 . 4.000 3.303 3.142 3.554 . 0 0 "[ . 1 . 2]" 1
45 1 9 LYS HA 1 11 HIS H 1.800 . 4.600 3.754 3.744 3.766 . 0 0 "[ . 1 . 2]" 1
46 1 10 PRO HA 1 11 HIS H 1.800 . 3.600 3.541 3.538 3.543 . 0 0 "[ . 1 . 2]" 1
47 1 10 PRO HB3 1 11 HIS H 1.800 . 5.000 4.084 4.076 4.093 . 0 0 "[ . 1 . 2]" 1
48 1 11 HIS H 1 11 HIS HB3 1.800 . 3.600 3.325 2.624 3.595 . 0 0 "[ . 1 . 2]" 1
49 1 11 HIS H 1 12 LEU HA 1.800 . 5.600 4.990 4.912 5.065 . 0 0 "[ . 1 . 2]" 1
50 1 11 HIS H 1 32 ARG HA 1.800 . 5.600 5.408 5.333 5.467 . 0 0 "[ . 1 . 2]" 1
51 1 11 HIS H 1 33 ASP H 1.800 . 5.600 4.802 4.769 4.895 . 0 0 "[ . 1 . 2]" 1
52 1 9 LYS HA 1 12 LEU H 1.800 . 5.000 4.186 4.026 4.331 . 0 0 "[ . 1 . 2]" 1
53 1 10 PRO HA 1 12 LEU H 1.800 . 4.600 3.944 3.680 4.221 . 0 0 "[ . 1 . 2]" 1
54 1 11 HIS H 1 12 LEU H 1.800 . 3.200 2.476 2.364 2.546 . 0 0 "[ . 1 . 2]" 1
55 1 11 HIS HA 1 12 LEU H 1.800 . 3.600 3.388 3.278 3.457 . 0 0 "[ . 1 . 2]" 1
56 1 11 HIS HB3 1 12 LEU H 1.800 . 5.000 3.689 3.155 4.150 . 0 0 "[ . 1 . 2]" 1
57 1 12 LEU H 1 12 LEU HG 1.800 . 5.000 4.524 4.442 4.594 . 0 0 "[ . 1 . 2]" 1
58 1 12 LEU H 1 12 LEU MD1 1.800 . 5.000 3.927 3.401 4.302 . 0 0 "[ . 1 . 2]" 1
59 1 12 LEU H 1 12 LEU MD2 1.800 . 5.000 4.124 3.881 4.219 . 0 0 "[ . 1 . 2]" 1
60 1 12 LEU H 1 13 SER H 1.800 . 5.000 4.585 4.470 4.633 . 0 0 "[ . 1 . 2]" 1
61 1 12 LEU H 1 32 ARG HA 1.800 . 5.000 4.503 4.019 4.891 . 0 0 "[ . 1 . 2]" 1
62 1 12 LEU HA 1 12 LEU QD 1.800 . 4.600 2.461 1.997 3.177 . 0 0 "[ . 1 . 2]" 1
63 1 12 LEU MD2 1 17 ALA HA 1.800 . 4.000 2.718 2.107 3.210 . 0 0 "[ . 1 . 2]" 1
64 1 12 LEU HA 1 13 SER H 1.800 . 3.200 2.201 2.140 2.305 . 0 0 "[ . 1 . 2]" 1
65 1 12 LEU QD 1 13 SER H 1.800 . 4.600 2.956 2.262 3.509 . 0 0 "[ . 1 . 2]" 1
66 1 12 LEU HG 1 13 SER H 1.800 . 4.600 2.630 2.292 3.111 . 0 0 "[ . 1 . 2]" 1
67 1 13 SER H 1 13 SER HB3 1.800 . 3.600 3.205 2.405 3.592 . 0 0 "[ . 1 . 2]" 1
68 1 13 SER H 1 14 ARG H 1.800 . 5.000 4.564 4.525 4.613 . 0 0 "[ . 1 . 2]" 1
69 1 13 SER H 1 16 GLN H 1.800 . 4.600 3.774 3.565 3.987 . 0 0 "[ . 1 . 2]" 1
70 1 13 SER H 1 16 GLN HB3 1.800 . 4.600 3.631 3.371 3.978 . 0 0 "[ . 1 . 2]" 1
71 1 13 SER H 1 17 ALA H 1.800 . 5.000 4.419 4.223 4.681 . 0 0 "[ . 1 . 2]" 1
72 1 13 SER HA 1 14 ARG H 1.800 . 3.600 2.394 2.363 2.468 . 0 0 "[ . 1 . 2]" 1
73 1 13 SER HB3 1 14 ARG H 1.800 . 3.600 3.269 2.912 3.626 0.026 16 0 "[ . 1 . 2]" 1
74 1 14 ARG H 1 16 GLN H 1.800 . 4.200 4.229 4.203 4.243 0.043 13 0 "[ . 1 . 2]" 1
75 1 13 SER H 1 15 ASP H 1.800 . 5.600 5.338 5.168 5.492 . 0 0 "[ . 1 . 2]" 1
76 1 13 SER HA 1 15 ASP H 1.800 . 5.000 4.549 4.472 4.671 . 0 0 "[ . 1 . 2]" 1
77 1 14 ARG H 1 15 ASP H 1.800 . 3.200 2.833 2.792 2.868 . 0 0 "[ . 1 . 2]" 1
78 1 14 ARG HA 1 15 ASP H 1.800 . 3.600 3.555 3.550 3.560 . 0 0 "[ . 1 . 2]" 1
79 1 14 ARG HD3 1 15 ASP H 1.800 . 5.000 4.354 2.576 4.831 . 0 0 "[ . 1 . 2]" 1
80 1 15 ASP H 1 15 ASP HB3 1.800 . 3.200 2.921 2.390 3.192 . 0 0 "[ . 1 . 2]" 1
81 1 15 ASP H 1 16 GLN H 1.800 . 3.200 2.765 2.745 2.804 . 0 0 "[ . 1 . 2]" 1
82 1 15 ASP H 1 17 ALA MB 1.800 . 6.300 4.887 4.797 4.954 . 0 0 "[ . 1 . 2]" 1
83 1 15 ASP H 1 18 ILE MD 1.800 . 5.600 4.039 3.549 5.711 0.111 16 0 "[ . 1 . 2]" 1
84 1 12 LEU QD 1 16 GLN H 1.800 . 6.300 4.258 3.950 4.718 . 0 0 "[ . 1 . 2]" 1
85 1 13 SER HA 1 16 GLN H 1.800 . 5.000 4.657 4.635 4.697 . 0 0 "[ . 1 . 2]" 1
86 1 14 ARG HA 1 16 GLN H 1.800 . 4.400 4.406 4.391 4.420 0.020 20 0 "[ . 1 . 2]" 1
87 1 15 ASP HA 1 16 GLN H 1.800 . 3.600 3.539 3.537 3.542 . 0 0 "[ . 1 . 2]" 1
88 1 16 GLN H 1 16 GLN HB3 1.800 . 4.000 3.531 3.426 3.591 . 0 0 "[ . 1 . 2]" 1
89 1 16 GLN H 1 16 GLN HG3 1.800 . 4.000 3.441 2.679 3.890 . 0 0 "[ . 1 . 2]" 1
90 1 16 GLN H 1 17 ALA MB 1.800 . 6.000 4.316 4.230 4.353 . 0 0 "[ . 1 . 2]" 1
91 1 16 GLN H 1 18 ILE H 1.800 . 4.200 4.173 4.158 4.220 0.020 13 0 "[ . 1 . 2]" 1
92 1 12 LEU QD 1 17 ALA H 1.800 . 5.600 3.130 2.424 3.753 . 0 0 "[ . 1 . 2]" 1
93 1 12 LEU HG 1 17 ALA H 1.800 . 3.600 3.365 3.014 3.608 0.008 5 0 "[ . 1 . 2]" 1
94 1 14 ARG H 1 17 ALA H 1.800 . 5.000 4.814 4.797 4.829 . 0 0 "[ . 1 . 2]" 1
95 1 14 ARG HA 1 17 ALA H 1.800 . 3.400 3.458 3.414 3.473 0.073 15 0 "[ . 1 . 2]" 1
96 1 15 ASP HA 1 17 ALA H 1.800 . 4.400 4.419 4.326 4.435 0.035 17 0 "[ . 1 . 2]" 1
97 1 16 GLN H 1 17 ALA H 1.800 . 3.200 2.674 2.660 2.678 . 0 0 "[ . 1 . 2]" 1
98 1 17 ALA H 1 17 ALA MB 1.800 . 3.600 2.174 2.029 2.237 . 0 0 "[ . 1 . 2]" 1
99 1 17 ALA H 1 19 ALA H 1.800 . 4.200 4.179 4.167 4.186 . 0 0 "[ . 1 . 2]" 1
100 1 14 ARG HA 1 17 ALA MB 1.800 . 4.600 2.714 2.562 2.838 . 0 0 "[ . 1 . 2]" 1
101 1 15 ASP HA 1 18 ILE H 1.800 . 3.400 3.510 3.494 3.519 0.119 20 0 "[ . 1 . 2]" 1
102 1 16 GLN HA 1 18 ILE H 1.800 . 4.400 4.421 4.414 4.430 0.030 3 0 "[ . 1 . 2]" 1
103 1 17 ALA H 1 18 ILE H 1.800 . 3.200 2.658 2.648 2.663 . 0 0 "[ . 1 . 2]" 1
104 1 17 ALA HA 1 18 ILE H 1.800 . 3.600 3.536 3.535 3.538 . 0 0 "[ . 1 . 2]" 1
105 1 17 ALA MB 1 18 ILE H 1.800 . 4.000 2.597 2.546 2.699 . 0 0 "[ . 1 . 2]" 1
106 1 18 ILE H 1 18 ILE HB 1.800 . 3.600 2.541 2.530 2.588 . 0 0 "[ . 1 . 2]" 1
107 1 18 ILE H 1 18 ILE MG 1.800 . 4.600 3.765 3.764 3.767 . 0 0 "[ . 1 . 2]" 1
108 1 18 ILE H 1 18 ILE MD 1.800 . 5.600 3.243 2.844 3.354 . 0 0 "[ . 1 . 2]" 1
109 1 18 ILE H 1 19 ALA H 1.800 . 3.200 2.648 2.644 2.654 . 0 0 "[ . 1 . 2]" 1
110 1 15 ASP HA 1 18 ILE MG 1.800 . 5.600 4.272 4.245 4.392 . 0 0 "[ . 1 . 2]" 1
111 1 18 ILE HA 1 18 ILE MG 1.800 . 3.600 2.329 2.259 2.388 . 0 0 "[ . 1 . 2]" 1
112 1 18 ILE MG 1 19 ALA HA 1.800 . 5.600 3.558 3.420 3.678 . 0 0 "[ . 1 . 2]" 1
113 1 18 ILE MG 1 66 VAL MG1 1.800 . 5.600 2.654 2.260 3.152 . 0 0 "[ . 1 . 2]" 1
114 1 16 GLN HA 1 19 ALA H 1.800 . 3.400 3.535 3.527 3.539 0.139 9 0 "[ . 1 . 2]" 1
115 1 17 ALA HA 1 19 ALA H 1.800 . 4.400 4.483 4.478 4.497 0.097 13 0 "[ . 1 . 2]" 1
116 1 18 ILE HA 1 19 ALA H 1.800 . 3.600 3.539 3.538 3.540 . 0 0 "[ . 1 . 2]" 1
117 1 18 ILE HB 1 19 ALA H 1.800 . 3.200 2.595 2.579 2.601 . 0 0 "[ . 1 . 2]" 1
118 1 18 ILE MG 1 19 ALA H 1.800 . 5.000 3.485 3.434 3.557 . 0 0 "[ . 1 . 2]" 1
119 1 18 ILE MD 1 19 ALA H 1.800 . 6.000 4.379 4.105 4.482 . 0 0 "[ . 1 . 2]" 1
120 1 19 ALA H 1 19 ALA MB 1.800 . 3.200 2.160 2.032 2.241 . 0 0 "[ . 1 . 2]" 1
121 1 19 ALA H 1 21 LEU H 1.800 . 4.200 3.994 3.979 4.003 . 0 0 "[ . 1 . 2]" 1
122 1 19 ALA MB 1 20 LEU MD2 1.800 . 5.600 5.394 5.039 5.601 0.001 17 0 "[ . 1 . 2]" 1
123 1 17 ALA H 1 20 LEU H 1.800 . 5.000 4.736 4.723 4.745 . 0 0 "[ . 1 . 2]" 1
124 1 17 ALA HA 1 20 LEU H 1.800 . 3.400 3.507 3.496 3.528 0.128 13 0 "[ . 1 . 2]" 1
125 1 18 ILE H 1 20 LEU H 1.800 . 4.200 4.043 4.027 4.058 . 0 0 "[ . 1 . 2]" 1
126 1 18 ILE HA 1 20 LEU H 1.800 . 4.400 4.349 4.331 4.382 . 0 0 "[ . 1 . 2]" 1
127 1 19 ALA HA 1 20 LEU H 1.800 . 3.600 3.519 3.516 3.524 . 0 0 "[ . 1 . 2]" 1
128 1 19 ALA MB 1 20 LEU H 1.800 . 4.000 2.684 2.640 2.786 . 0 0 "[ . 1 . 2]" 1
129 1 20 LEU H 1 20 LEU HB3 1.800 . 3.200 2.938 2.466 3.199 . 0 0 "[ . 1 . 2]" 1
130 1 20 LEU H 1 20 LEU QD 1.800 . 6.000 3.405 2.898 3.739 . 0 0 "[ . 1 . 2]" 1
131 1 20 LEU H 1 21 LEU H 1.800 . 3.200 2.495 2.493 2.498 . 0 0 "[ . 1 . 2]" 1
132 1 20 LEU H 1 22 LYS H 1.800 . 4.200 4.111 4.055 4.165 . 0 0 "[ . 1 . 2]" 1
133 1 20 LEU HA 1 20 LEU MD2 1.800 . 4.000 3.612 2.415 3.894 . 0 0 "[ . 1 . 2]" 1
134 1 12 LEU HG 1 20 LEU QD 1.800 . 6.500 4.746 4.074 5.175 . 0 0 "[ . 1 . 2]" 1
135 1 17 ALA HA 1 20 LEU QD 1.800 . 6.000 3.477 3.351 3.596 . 0 0 "[ . 1 . 2]" 1
136 1 17 ALA HA 1 21 LEU H 1.800 . 4.400 4.202 4.167 4.218 . 0 0 "[ . 1 . 2]" 1
137 1 18 ILE HA 1 21 LEU H 1.800 . 3.400 3.456 3.453 3.463 0.063 9 0 "[ . 1 . 2]" 1
138 1 19 ALA HA 1 21 LEU H 1.800 . 4.200 4.228 4.222 4.237 0.037 19 0 "[ . 1 . 2]" 1
139 1 20 LEU HA 1 21 LEU H 1.800 . 3.600 3.491 3.490 3.493 . 0 0 "[ . 1 . 2]" 1
140 1 20 LEU HG 1 21 LEU H 1.800 . 5.200 4.781 4.192 5.171 . 0 0 "[ . 1 . 2]" 1
141 1 21 LEU H 1 21 LEU MD1 1.800 . 5.600 3.775 3.329 3.870 . 0 0 "[ . 1 . 2]" 1
142 1 21 LEU H 1 21 LEU MD2 1.800 . 5.600 3.843 3.654 3.938 . 0 0 "[ . 1 . 2]" 1
143 1 21 LEU H 1 22 LYS H 1.800 . 3.200 2.490 2.464 2.514 . 0 0 "[ . 1 . 2]" 1
144 1 21 LEU H 1 22 LYS HA 1.800 . 5.600 5.143 5.127 5.155 . 0 0 "[ . 1 . 2]" 1
145 1 21 LEU H 1 23 ASP H 1.800 . 4.200 3.715 3.699 3.757 . 0 0 "[ . 1 . 2]" 1
146 1 21 LEU H 1 66 VAL QG 1.800 . 6.000 3.757 3.224 4.400 . 0 0 "[ . 1 . 2]" 1
147 1 20 LEU QD 1 21 LEU QD 1.800 . 6.300 4.088 2.974 4.521 . 0 0 "[ . 1 . 2]" 1
148 1 20 LEU HG 1 21 LEU QD 1.800 . 6.300 5.417 4.455 6.254 . 0 0 "[ . 1 . 2]" 1
149 1 21 LEU QD 1 28 ALA MB 1.800 . 5.600 2.607 2.343 3.004 . 0 0 "[ . 1 . 2]" 1
150 1 18 ILE HA 1 22 LYS H 1.800 . 4.200 4.060 4.022 4.095 . 0 0 "[ . 1 . 2]" 1
151 1 18 ILE MG 1 22 LYS H 1.800 . 5.600 3.909 3.813 4.004 . 0 0 "[ . 1 . 2]" 1
152 1 19 ALA HA 1 22 LYS H 1.800 . 3.400 3.525 3.496 3.560 0.160 9 0 "[ . 1 . 2]" 1
153 1 19 ALA MB 1 22 LYS H 1.800 . 6.000 4.698 4.652 4.748 . 0 0 "[ . 1 . 2]" 1
154 1 21 LEU HA 1 22 LYS H 1.800 . 3.600 3.532 3.518 3.543 . 0 0 "[ . 1 . 2]" 1
155 1 21 LEU MD1 1 22 LYS H 1.800 . 6.300 4.611 4.266 4.674 . 0 0 "[ . 1 . 2]" 1
156 1 21 LEU MD2 1 22 LYS H 1.800 . 6.300 4.642 4.580 4.806 . 0 0 "[ . 1 . 2]" 1
157 1 22 LYS H 1 23 ASP H 1.800 . 3.200 2.526 2.477 2.585 . 0 0 "[ . 1 . 2]" 1
158 1 22 LYS H 1 62 VAL QG 1.800 . 6.300 4.372 3.893 5.128 . 0 0 "[ . 1 . 2]" 1
159 1 22 LYS H 1 66 VAL QG 1.800 . 6.000 3.143 2.552 4.042 . 0 0 "[ . 1 . 2]" 1
160 1 19 ALA HA 1 23 ASP H 1.800 . 5.000 4.569 4.459 4.764 . 0 0 "[ . 1 . 2]" 1
161 1 21 LEU HA 1 23 ASP H 1.800 . 4.200 3.737 3.623 3.802 . 0 0 "[ . 1 . 2]" 1
162 1 22 LYS HA 1 23 ASP H 1.800 . 3.600 3.350 3.268 3.377 . 0 0 "[ . 1 . 2]" 1
163 1 22 LYS HG3 1 23 ASP H 1.800 . 3.600 3.285 3.163 3.597 . 0 0 "[ . 1 . 2]" 1
164 1 23 ASP H 1 23 ASP HB3 1.800 . 3.200 2.797 2.626 2.955 . 0 0 "[ . 1 . 2]" 1
165 1 23 ASP H 1 24 LYS H 1.800 . 3.200 2.176 2.030 2.264 . 0 0 "[ . 1 . 2]" 1
166 1 21 LEU HA 1 24 LYS H 1.800 . 3.400 3.457 3.438 3.467 0.067 19 0 "[ . 1 . 2]" 1
167 1 21 LEU MD2 1 24 LYS H 1.800 . 6.300 4.718 4.567 5.147 . 0 0 "[ . 1 . 2]" 1
168 1 22 LYS H 1 24 LYS H 1.800 . 4.200 4.037 3.977 4.099 . 0 0 "[ . 1 . 2]" 1
169 1 22 LYS HA 1 24 LYS H 1.800 . 4.400 3.779 3.735 3.884 . 0 0 "[ . 1 . 2]" 1
170 1 23 ASP HA 1 24 LYS H 1.800 . 3.600 3.228 3.168 3.352 . 0 0 "[ . 1 . 2]" 1
171 1 23 ASP HB3 1 24 LYS H 1.800 . 5.000 3.643 3.328 3.796 . 0 0 "[ . 1 . 2]" 1
172 1 24 LYS H 1 25 ASP H 1.800 . 5.000 4.371 2.499 4.495 . 0 0 "[ . 1 . 2]" 1
173 1 24 LYS H 1 26 PRO HA 1.800 . 6.300 6.411 6.341 6.443 0.143 3 0 "[ . 1 . 2]" 1
174 1 21 LEU MD2 1 25 ASP H 1.800 . 6.300 5.938 5.577 6.296 . 0 0 "[ . 1 . 2]" 1
175 1 24 LYS HA 1 25 ASP H 1.800 . 3.200 2.504 2.344 3.010 . 0 0 "[ . 1 . 2]" 1
176 1 25 ASP H 1 25 ASP HB3 1.800 . 4.000 3.423 2.759 4.068 0.068 13 0 "[ . 1 . 2]" 1
177 1 25 ASP H 1 26 PRO HA 1.800 . 6.000 5.797 5.520 5.875 . 0 0 "[ . 1 . 2]" 1
178 1 25 ASP H 1 28 ALA MB 1.800 . 5.000 3.932 3.831 4.348 . 0 0 "[ . 1 . 2]" 1
179 1 25 ASP H 1 28 ALA H 1.800 . 5.600 5.648 5.635 5.772 0.172 13 0 "[ . 1 . 2]" 1
180 1 26 PRO HA 1 27 GLY H 1.800 . 3.200 2.232 2.155 2.280 . 0 0 "[ . 1 . 2]" 1
181 1 26 PRO HB3 1 27 GLY H 1.800 . 4.600 3.754 3.645 4.074 . 0 0 "[ . 1 . 2]" 1
182 1 27 GLY H 1 28 ALA H 1.800 . 3.200 2.643 2.339 2.713 . 0 0 "[ . 1 . 2]" 1
183 1 27 GLY H 1 28 ALA MB 1.800 . 5.600 4.294 4.013 4.367 . 0 0 "[ . 1 . 2]" 1
184 1 27 GLY H 1 45 LEU MD1 1.800 . 4.600 3.261 2.832 4.313 . 0 0 "[ . 1 . 2]" 1
185 1 27 GLY H 1 46 LYS H 1.800 . 4.000 3.788 3.607 3.978 . 0 0 "[ . 1 . 2]" 1
186 1 27 GLY H 1 47 VAL HA 1.800 . 4.600 3.634 3.273 3.843 . 0 0 "[ . 1 . 2]" 1
187 1 27 GLY H 1 48 ALA H 1.800 . 6.300 4.908 4.347 5.505 . 0 0 "[ . 1 . 2]" 1
188 1 26 PRO HA 1 28 ALA H 1.800 . 4.000 3.315 3.222 3.531 . 0 0 "[ . 1 . 2]" 1
189 1 27 GLY HA2 1 28 ALA H 1.800 . 3.600 3.410 3.377 3.429 . 0 0 "[ . 1 . 2]" 1
190 1 27 GLY HA3 1 28 ALA H 1.800 . 3.600 3.113 3.084 3.160 . 0 0 "[ . 1 . 2]" 1
191 1 28 ALA H 1 28 ALA MB 1.800 . 3.200 2.141 2.041 2.246 . 0 0 "[ . 1 . 2]" 1
192 1 28 ALA H 1 29 PHE HB3 1.800 . 6.000 5.703 5.601 5.772 . 0 0 "[ . 1 . 2]" 1
193 1 28 ALA H 1 45 LEU HA 1.800 . 6.000 5.626 5.563 5.678 . 0 0 "[ . 1 . 2]" 1
194 1 28 ALA H 1 45 LEU QD 1.800 . 5.600 3.615 3.293 4.356 . 0 0 "[ . 1 . 2]" 1
195 1 28 ALA H 1 46 LYS H 1.800 . 4.600 3.995 3.901 4.055 . 0 0 "[ . 1 . 2]" 1
196 1 28 ALA H 1 47 VAL HA 1.800 . 6.300 6.192 5.834 6.338 0.038 9 0 "[ . 1 . 2]" 1
197 1 21 LEU MD2 1 29 PHE H 1.800 . 5.000 3.786 3.382 4.176 . 0 0 "[ . 1 . 2]" 1
198 1 28 ALA HA 1 29 PHE H 1.800 . 3.200 2.272 2.267 2.276 . 0 0 "[ . 1 . 2]" 1
199 1 28 ALA MB 1 29 PHE H 1.800 . 4.000 2.743 2.672 2.807 . 0 0 "[ . 1 . 2]" 1
200 1 29 PHE H 1 30 LEU H 1.800 . 4.400 4.431 4.412 4.441 0.041 10 0 "[ . 1 . 2]" 1
201 1 29 PHE H 1 45 LEU HA 1.800 . 5.600 4.817 4.690 5.048 . 0 0 "[ . 1 . 2]" 1
202 1 29 PHE H 1 46 LYS H 1.800 . 5.600 5.132 5.115 5.151 . 0 0 "[ . 1 . 2]" 1
203 1 29 PHE HA 1 30 LEU H 1.800 . 3.200 2.451 2.372 2.466 . 0 0 "[ . 1 . 2]" 1
204 1 29 PHE HB3 1 30 LEU H 1.800 . 4.600 3.824 3.766 3.941 . 0 0 "[ . 1 . 2]" 1
205 1 30 LEU H 1 30 LEU MD1 1.800 . 6.000 4.296 3.892 4.847 . 0 0 "[ . 1 . 2]" 1
206 1 30 LEU H 1 30 LEU MD2 1.800 . 4.600 3.810 3.484 4.126 . 0 0 "[ . 1 . 2]" 1
207 1 30 LEU H 1 31 ILE H 1.800 . 4.400 4.360 4.305 4.406 0.006 20 0 "[ . 1 . 2]" 1
208 1 30 LEU H 1 43 LEU HA 1.800 . 4.600 4.396 4.304 4.501 . 0 0 "[ . 1 . 2]" 1
209 1 30 LEU H 1 44 ALA H 1.800 . 3.600 2.784 2.737 2.851 . 0 0 "[ . 1 . 2]" 1
210 1 30 LEU H 1 44 ALA MB 1.800 . 5.600 3.167 2.959 3.456 . 0 0 "[ . 1 . 2]" 1
211 1 30 LEU H 1 45 LEU HA 1.800 . 4.600 3.983 3.933 4.071 . 0 0 "[ . 1 . 2]" 1
212 1 17 ALA MB 1 30 LEU QD 1.800 . 5.600 1.787 1.750 1.850 0.050 20 0 "[ . 1 . 2]" 1
213 1 20 LEU HG 1 30 LEU QD 1.800 . 5.600 4.558 4.022 5.302 . 0 0 "[ . 1 . 2]" 1
214 1 21 LEU MD2 1 30 LEU QD 1.800 . 6.000 3.289 2.318 4.279 . 0 0 "[ . 1 . 2]" 1
215 1 7 TRP HA 1 31 ILE H 1.800 . 5.000 4.568 4.401 4.637 . 0 0 "[ . 1 . 2]" 1
216 1 8 TYR HA 1 31 ILE H 1.800 . 3.200 2.750 2.633 2.900 . 0 0 "[ . 1 . 2]" 1
217 1 30 LEU HA 1 31 ILE H 1.800 . 3.200 2.318 2.233 2.402 . 0 0 "[ . 1 . 2]" 1
218 1 30 LEU QD 1 31 ILE H 1.800 . 6.000 2.777 2.443 3.107 . 0 0 "[ . 1 . 2]" 1
219 1 31 ILE H 1 31 ILE HB 1.800 . 3.600 2.643 2.586 2.717 . 0 0 "[ . 1 . 2]" 1
220 1 31 ILE H 1 31 ILE MG 1.800 . 5.600 3.851 3.827 3.879 . 0 0 "[ . 1 . 2]" 1
221 1 31 ILE H 1 31 ILE MD 1.800 . 6.000 3.708 3.148 3.954 . 0 0 "[ . 1 . 2]" 1
222 1 31 ILE H 1 43 LEU HA 1.800 . 5.600 5.202 4.981 5.302 . 0 0 "[ . 1 . 2]" 1
223 1 31 ILE MG 1 42 GLY QA 1.800 . 6.300 4.322 4.181 4.544 . 0 0 "[ . 1 . 2]" 1
224 1 31 ILE MG 1 92 LEU MD1 1.800 . 5.000 3.593 2.537 5.004 0.004 10 0 "[ . 1 . 2]" 1
225 1 31 ILE MG 1 92 LEU MD2 1.800 . 6.000 3.416 2.612 4.880 . 0 0 "[ . 1 . 2]" 1
226 1 31 ILE MD 1 43 LEU HA 1.800 . 5.600 4.373 2.012 5.085 . 0 0 "[ . 1 . 2]" 1
227 1 31 ILE MD 1 92 LEU HA 1.800 . 6.300 5.643 5.011 6.302 0.002 9 0 "[ . 1 . 2]" 1
228 1 31 ILE MD 1 92 LEU HB3 1.800 . 5.000 3.831 3.234 4.556 . 0 0 "[ . 1 . 2]" 1
229 1 31 ILE MD 1 92 LEU MD1 1.800 . 5.600 3.982 2.723 5.263 . 0 0 "[ . 1 . 2]" 1
230 1 31 ILE MD 1 92 LEU MD2 1.800 . 5.600 3.361 2.355 5.439 . 0 0 "[ . 1 . 2]" 1
231 1 31 ILE MD 1 96 VAL MG2 1.800 . 5.600 3.036 2.513 3.292 . 0 0 "[ . 1 . 2]" 1
232 1 30 LEU HG 1 32 ARG H 1.800 . 5.600 5.431 5.023 5.613 0.013 5 0 "[ . 1 . 2]" 1
233 1 31 ILE HA 1 32 ARG H 1.800 . 3.200 2.202 2.169 2.208 . 0 0 "[ . 1 . 2]" 1
234 1 31 ILE HB 1 32 ARG H 1.800 . 4.600 4.001 3.970 4.099 . 0 0 "[ . 1 . 2]" 1
235 1 31 ILE MG 1 32 ARG H 1.800 . 4.000 2.240 2.057 2.514 . 0 0 "[ . 1 . 2]" 1
236 1 31 ILE MD 1 32 ARG H 1.800 . 6.300 4.717 3.359 5.128 . 0 0 "[ . 1 . 2]" 1
237 1 32 ARG H 1 32 ARG HG3 1.800 . 5.000 3.413 2.084 4.091 . 0 0 "[ . 1 . 2]" 1
238 1 32 ARG H 1 41 TYR HA 1.800 . 5.000 4.829 4.696 4.955 . 0 0 "[ . 1 . 2]" 1
239 1 32 ARG H 1 42 GLY QA 1.800 . 4.600 3.551 3.431 3.661 . 0 0 "[ . 1 . 2]" 1
240 1 32 ARG H 1 43 LEU HA 1.800 . 4.600 3.931 3.832 4.024 . 0 0 "[ . 1 . 2]" 1
241 1 10 PRO HA 1 33 ASP H 1.800 . 3.200 1.966 1.937 2.198 . 0 0 "[ . 1 . 2]" 1
242 1 11 HIS HA 1 33 ASP H 1.800 . 5.000 5.084 5.063 5.108 0.108 17 0 "[ . 1 . 2]" 1
243 1 12 LEU H 1 33 ASP H 1.800 . 4.600 4.290 3.887 4.608 0.008 11 0 "[ . 1 . 2]" 1
244 1 32 ARG HA 1 33 ASP H 1.800 . 3.200 2.408 2.345 2.421 . 0 0 "[ . 1 . 2]" 1
245 1 33 ASP H 1 33 ASP HB3 1.800 . 3.200 2.681 2.508 2.863 . 0 0 "[ . 1 . 2]" 1
246 1 33 ASP H 1 34 SER H 1.800 . 4.600 4.480 4.472 4.484 . 0 0 "[ . 1 . 2]" 1
247 1 33 ASP H 1 34 SER HA 1.800 . 5.600 5.379 5.320 5.422 . 0 0 "[ . 1 . 2]" 1
248 1 33 ASP HA 1 34 SER H 1.800 . 3.200 2.139 2.137 2.139 . 0 0 "[ . 1 . 2]" 1
249 1 33 ASP HB3 1 34 SER H 1.800 . 5.000 4.174 4.055 4.277 . 0 0 "[ . 1 . 2]" 1
250 1 34 SER H 1 34 SER HB3 1.800 . 3.200 2.775 2.641 2.914 . 0 0 "[ . 1 . 2]" 1
251 1 34 SER H 1 40 ALA H 1.800 . 5.000 4.916 4.787 5.010 0.010 9 0 "[ . 1 . 2]" 1
252 1 34 SER H 1 40 ALA MB 1.800 . 5.000 4.400 4.298 4.636 . 0 0 "[ . 1 . 2]" 1
253 1 34 SER H 1 41 TYR H 1.800 . 5.000 5.020 5.000 5.039 0.039 13 0 "[ . 1 . 2]" 1
254 1 34 SER H 1 41 TYR HA 1.800 . 3.200 2.569 2.416 2.669 . 0 0 "[ . 1 . 2]" 1
255 1 35 HIS HA 1 36 SER H 1.800 . 3.200 3.364 3.363 3.365 0.165 13 0 "[ . 1 . 2]" 1
256 1 35 HIS HB3 1 36 SER H 1.800 . 5.000 3.657 3.325 4.272 . 0 0 "[ . 1 . 2]" 1
257 1 36 SER H 1 37 PHE H 1.800 . 3.200 3.054 2.836 3.200 0.000 3 0 "[ . 1 . 2]" 1
258 1 36 SER HA 1 37 PHE H 1.800 . 4.000 3.560 3.553 3.570 . 0 0 "[ . 1 . 2]" 1
259 1 37 PHE H 1 37 PHE HB3 1.800 . 4.000 3.544 3.322 3.825 . 0 0 "[ . 1 . 2]" 1
260 1 37 PHE H 1 38 GLN H 1.800 . 4.600 4.436 4.391 4.562 . 0 0 "[ . 1 . 2]" 1
261 1 37 PHE H 1 40 ALA MB 1.800 . 5.600 2.849 2.685 3.229 . 0 0 "[ . 1 . 2]" 1
262 1 37 PHE HA 1 38 GLN H 1.800 . 3.200 2.319 2.219 2.361 . 0 0 "[ . 1 . 2]" 1
263 1 37 PHE HB3 1 38 GLN H 1.800 . 4.600 2.849 2.601 3.136 . 0 0 "[ . 1 . 2]" 1
264 1 37 PHE HA 1 39 GLY H 1.800 . 6.300 6.194 5.985 6.248 . 0 0 "[ . 1 . 2]" 1
265 1 38 GLN H 1 39 GLY H 1.800 . 5.000 4.616 4.542 4.632 . 0 0 "[ . 1 . 2]" 1
266 1 38 GLN HA 1 39 GLY H 1.800 . 3.200 2.228 2.156 2.247 . 0 0 "[ . 1 . 2]" 1
267 1 39 GLY H 1 40 ALA MB 1.800 . 5.600 4.384 4.184 4.469 . 0 0 "[ . 1 . 2]" 1
268 1 37 PHE HA 1 40 ALA H 1.800 . 6.300 6.022 5.818 6.108 . 0 0 "[ . 1 . 2]" 1
269 1 37 PHE HB3 1 40 ALA H 1.800 . 6.000 5.174 4.683 5.638 . 0 0 "[ . 1 . 2]" 1
270 1 38 GLN HA 1 40 ALA H 1.800 . 4.000 3.587 3.382 3.859 . 0 0 "[ . 1 . 2]" 1
271 1 39 GLY H 1 40 ALA H 1.800 . 3.200 2.637 2.397 2.807 . 0 0 "[ . 1 . 2]" 1
272 1 39 GLY HA2 1 40 ALA H 1.800 . 4.000 2.892 2.763 3.018 . 0 0 "[ . 1 . 2]" 1
273 1 39 GLY HA3 1 40 ALA H 1.800 . 4.000 3.514 3.464 3.552 . 0 0 "[ . 1 . 2]" 1
274 1 40 ALA H 1 40 ALA MB 1.800 . 4.000 2.518 2.441 2.545 . 0 0 "[ . 1 . 2]" 1
275 1 40 ALA H 1 73 THR H 1.800 . 5.600 5.441 5.293 5.608 0.008 15 0 "[ . 1 . 2]" 1
276 1 34 SER HB3 1 40 ALA MB 1.800 . 5.000 2.146 2.016 2.392 . 0 0 "[ . 1 . 2]" 1
277 1 37 PHE HB3 1 40 ALA MB 1.800 . 5.600 3.230 2.583 3.906 . 0 0 "[ . 1 . 2]" 1
278 1 40 ALA MB 1 70 LEU MD1 1.800 . 5.000 3.210 2.541 3.494 . 0 0 "[ . 1 . 2]" 1
279 1 31 ILE MG 1 41 TYR H 1.800 . 6.300 5.578 5.188 5.813 . 0 0 "[ . 1 . 2]" 1
280 1 40 ALA H 1 41 TYR H 1.800 . 4.400 4.442 4.408 4.464 0.064 9 0 "[ . 1 . 2]" 1
281 1 40 ALA HA 1 41 TYR H 1.800 . 3.200 2.281 2.215 2.408 . 0 0 "[ . 1 . 2]" 1
282 1 40 ALA MB 1 41 TYR H 1.800 . 4.600 2.678 2.469 2.837 . 0 0 "[ . 1 . 2]" 1
283 1 41 TYR H 1 71 ILE HB 1.800 . 4.600 3.340 3.188 3.550 . 0 0 "[ . 1 . 2]" 1
284 1 41 TYR H 1 71 ILE MD 1.800 . 6.000 3.887 3.401 5.081 . 0 0 "[ . 1 . 2]" 1
285 1 41 TYR H 1 72 GLU HA 1.800 . 4.600 3.940 3.809 4.000 . 0 0 "[ . 1 . 2]" 1
286 1 31 ILE HA 1 42 GLY H 1.800 . 5.000 4.941 4.897 4.989 . 0 0 "[ . 1 . 2]" 1
287 1 31 ILE MG 1 42 GLY H 1.800 . 5.600 3.615 3.473 3.825 . 0 0 "[ . 1 . 2]" 1
288 1 32 ARG H 1 42 GLY H 1.800 . 3.200 3.234 3.212 3.260 0.060 11 0 "[ . 1 . 2]" 1
289 1 33 ASP HA 1 42 GLY H 1.800 . 4.000 3.916 3.847 3.997 . 0 0 "[ . 1 . 2]" 1
290 1 34 SER H 1 42 GLY H 1.800 . 4.000 3.158 3.087 3.295 . 0 0 "[ . 1 . 2]" 1
291 1 41 TYR H 1 42 GLY H 1.800 . 4.400 4.350 4.323 4.393 . 0 0 "[ . 1 . 2]" 1
292 1 41 TYR HA 1 42 GLY H 1.800 . 3.200 2.179 2.167 2.218 . 0 0 "[ . 1 . 2]" 1
293 1 41 TYR HB3 1 42 GLY H 1.800 . 4.600 3.195 3.073 3.301 . 0 0 "[ . 1 . 2]" 1
294 1 42 GLY H 1 71 ILE HB 1.800 . 6.300 6.269 6.149 6.323 0.023 5 0 "[ . 1 . 2]" 1
295 1 42 GLY H 1 71 ILE MD 1.800 . 6.300 4.845 4.404 6.232 . 0 0 "[ . 1 . 2]" 1
296 1 42 GLY H 1 43 LEU H 1.800 . 4.400 4.406 4.350 4.430 0.030 12 0 "[ . 1 . 2]" 1
297 1 42 GLY HA2 1 43 LEU H 1.800 . 3.600 2.143 2.139 2.154 . 0 0 "[ . 1 . 2]" 1
298 1 42 GLY HA3 1 43 LEU H 1.800 . 3.600 3.309 3.282 3.350 . 0 0 "[ . 1 . 2]" 1
299 1 43 LEU H 1 43 LEU HB3 1.800 . 3.200 2.455 2.342 2.496 . 0 0 "[ . 1 . 2]" 1
300 1 43 LEU H 1 43 LEU HG 1.800 . 5.000 4.382 4.288 4.411 . 0 0 "[ . 1 . 2]" 1
301 1 43 LEU H 1 43 LEU MD1 1.800 . 6.000 4.384 4.219 4.540 . 0 0 "[ . 1 . 2]" 1
302 1 43 LEU H 1 43 LEU MD2 1.800 . 6.000 4.244 3.875 4.344 . 0 0 "[ . 1 . 2]" 1
303 1 43 LEU H 1 68 HIS HA 1.800 . 5.600 4.824 4.767 4.951 . 0 0 "[ . 1 . 2]" 1
304 1 43 LEU H 1 69 PHE H 1.800 . 3.600 3.421 3.386 3.475 . 0 0 "[ . 1 . 2]" 1
305 1 43 LEU H 1 69 PHE HB3 1.800 . 5.600 5.329 4.723 5.614 0.014 11 0 "[ . 1 . 2]" 1
306 1 43 LEU H 1 70 LEU HA 1.800 . 3.200 3.216 3.194 3.237 0.037 14 0 "[ . 1 . 2]" 1
307 1 43 LEU H 1 71 ILE H 1.800 . 4.600 3.852 3.701 3.985 . 0 0 "[ . 1 . 2]" 1
308 1 43 LEU H 1 71 ILE MD 1.800 . 4.600 2.722 2.316 4.173 . 0 0 "[ . 1 . 2]" 1
309 1 31 ILE MG 1 43 LEU MD2 1.800 . 6.500 5.467 4.901 5.867 . 0 0 "[ . 1 . 2]" 1
310 1 43 LEU MD2 1 45 LEU HA 1.800 . 6.500 5.585 5.073 5.792 . 0 0 "[ . 1 . 2]" 1
311 1 43 LEU MD2 1 69 PHE HA 1.800 . 6.500 6.228 5.203 6.503 0.003 18 0 "[ . 1 . 2]" 1
312 1 43 LEU MD2 1 69 PHE HB3 1.800 . 6.000 5.173 4.247 5.640 . 0 0 "[ . 1 . 2]" 1
313 1 43 LEU MD2 1 110 LEU QD 1.800 . 6.000 3.346 2.068 4.943 . 0 0 "[ . 1 . 2]" 1
314 1 43 LEU MD1 1 44 ALA MB 1.800 . 6.300 4.482 4.081 5.127 . 0 0 "[ . 1 . 2]" 1
315 1 29 PHE HA 1 44 ALA H 1.800 . 5.000 4.690 4.621 4.733 . 0 0 "[ . 1 . 2]" 1
316 1 30 LEU HA 1 44 ALA H 1.800 . 5.600 4.862 4.804 4.918 . 0 0 "[ . 1 . 2]" 1
317 1 30 LEU MD2 1 44 ALA H 1.800 . 5.000 4.250 3.564 4.732 . 0 0 "[ . 1 . 2]" 1
318 1 31 ILE HA 1 44 ALA H 1.800 . 4.600 3.665 3.576 3.763 . 0 0 "[ . 1 . 2]" 1
319 1 43 LEU HA 1 44 ALA H 1.800 . 3.200 2.148 2.139 2.166 . 0 0 "[ . 1 . 2]" 1
320 1 43 LEU HG 1 44 ALA H 1.800 . 3.200 3.002 2.637 3.201 0.001 19 0 "[ . 1 . 2]" 1
321 1 43 LEU MD1 1 44 ALA H 1.800 . 4.600 2.862 2.472 3.727 . 0 0 "[ . 1 . 2]" 1
322 1 43 LEU MD2 1 44 ALA H 1.800 . 6.000 4.484 4.041 4.636 . 0 0 "[ . 1 . 2]" 1
323 1 44 ALA H 1 44 ALA MB 1.800 . 3.600 2.463 2.393 2.493 . 0 0 "[ . 1 . 2]" 1
324 1 17 ALA MB 1 44 ALA MB 1.800 . 5.600 2.439 2.223 2.592 . 0 0 "[ . 1 . 2]" 1
325 1 43 LEU HA 1 44 ALA MB 1.800 . 5.600 3.941 3.889 3.999 . 0 0 "[ . 1 . 2]" 1
326 1 44 ALA MB 1 68 HIS HA 1.800 . 5.600 3.350 3.213 3.506 . 0 0 "[ . 1 . 2]" 1
327 1 29 PHE HA 1 45 LEU H 1.800 . 5.600 4.735 4.696 4.833 . 0 0 "[ . 1 . 2]" 1
328 1 44 ALA H 1 45 LEU H 1.800 . 4.400 4.441 4.425 4.464 0.064 5 0 "[ . 1 . 2]" 1
329 1 44 ALA HA 1 45 LEU H 1.800 . 3.200 2.196 2.181 2.209 . 0 0 "[ . 1 . 2]" 1
330 1 44 ALA MB 1 45 LEU H 1.800 . 4.600 2.937 2.893 3.010 . 0 0 "[ . 1 . 2]" 1
331 1 45 LEU H 1 45 LEU HB3 1.800 . 3.600 2.651 2.571 2.740 . 0 0 "[ . 1 . 2]" 1
332 1 45 LEU H 1 45 LEU HG 1.800 . 5.000 4.393 4.209 4.976 . 0 0 "[ . 1 . 2]" 1
333 1 45 LEU H 1 45 LEU MD1 1.800 . 6.000 4.333 4.002 4.581 . 0 0 "[ . 1 . 2]" 1
334 1 45 LEU H 1 45 LEU MD2 1.800 . 6.000 4.528 4.211 4.635 . 0 0 "[ . 1 . 2]" 1
335 1 45 LEU H 1 66 VAL HA 1.800 . 4.600 4.618 4.605 4.627 0.027 8 0 "[ . 1 . 2]" 1
336 1 45 LEU H 1 66 VAL MG1 1.800 . 5.000 3.206 3.049 3.422 . 0 0 "[ . 1 . 2]" 1
337 1 45 LEU H 1 68 HIS HA 1.800 . 4.600 3.481 3.434 3.536 . 0 0 "[ . 1 . 2]" 1
338 1 45 LEU H 1 69 PHE H 1.800 . 5.600 5.072 4.956 5.127 . 0 0 "[ . 1 . 2]" 1
339 1 21 LEU MD1 1 46 LYS H 1.800 . 5.600 3.301 2.773 3.967 . 0 0 "[ . 1 . 2]" 1
340 1 21 LEU MD2 1 46 LYS H 1.800 . 5.600 2.495 2.163 2.960 . 0 0 "[ . 1 . 2]" 1
341 1 26 PRO HA 1 46 LYS H 1.800 . 5.000 5.011 4.980 5.049 0.049 20 0 "[ . 1 . 2]" 1
342 1 27 GLY QA 1 46 LYS H 1.800 . 6.000 4.266 4.171 4.416 . 0 0 "[ . 1 . 2]" 1
343 1 28 ALA MB 1 46 LYS H 1.800 . 5.600 4.161 3.993 4.276 . 0 0 "[ . 1 . 2]" 1
344 1 29 PHE HA 1 46 LYS H 1.800 . 3.600 3.571 3.516 3.618 0.018 9 0 "[ . 1 . 2]" 1
345 1 29 PHE HB3 1 46 LYS H 1.800 . 5.600 4.322 4.033 4.636 . 0 0 "[ . 1 . 2]" 1
346 1 45 LEU H 1 46 LYS H 1.800 . 4.400 4.374 4.329 4.405 0.005 18 0 "[ . 1 . 2]" 1
347 1 45 LEU HA 1 46 LYS H 1.800 . 3.200 2.214 2.165 2.239 . 0 0 "[ . 1 . 2]" 1
348 1 45 LEU HB3 1 46 LYS H 1.800 . 5.000 4.080 3.977 4.179 . 0 0 "[ . 1 . 2]" 1
349 1 45 LEU MD1 1 46 LYS H 1.800 . 4.000 2.075 1.881 3.062 . 0 0 "[ . 1 . 2]" 1
350 1 46 LYS H 1 46 LYS HB3 1.800 . 4.000 2.667 2.405 3.036 . 0 0 "[ . 1 . 2]" 1
351 1 46 LYS H 1 66 VAL HA 1.800 . 5.600 5.156 5.106 5.222 . 0 0 "[ . 1 . 2]" 1
352 1 46 LYS H 1 66 VAL MG1 1.800 . 6.000 4.787 4.535 5.075 . 0 0 "[ . 1 . 2]" 1
353 1 46 LYS H 1 66 VAL MG2 1.800 . 6.000 5.265 5.022 5.501 . 0 0 "[ . 1 . 2]" 1
354 1 26 PRO HA 1 47 VAL H 1.800 . 5.000 4.981 4.714 5.027 0.027 18 0 "[ . 1 . 2]" 1
355 1 46 LYS H 1 47 VAL H 1.800 . 4.400 4.490 4.451 4.512 0.112 18 0 "[ . 1 . 2]" 1
356 1 46 LYS HA 1 47 VAL H 1.800 . 3.200 2.172 2.150 2.188 . 0 0 "[ . 1 . 2]" 1
357 1 46 LYS HE3 1 47 VAL H 1.800 . 5.000 4.313 2.850 4.946 . 0 0 "[ . 1 . 2]" 1
358 1 47 VAL H 1 65 LEU HA 1.800 . 5.000 4.019 3.799 4.445 . 0 0 "[ . 1 . 2]" 1
359 1 47 VAL H 1 65 LEU MD2 1.800 . 6.000 4.516 3.705 5.486 . 0 0 "[ . 1 . 2]" 1
360 1 47 VAL H 1 66 VAL HA 1.800 . 3.600 3.336 3.230 3.464 . 0 0 "[ . 1 . 2]" 1
361 1 47 VAL H 1 66 VAL MG1 1.800 . 6.300 4.884 4.706 5.074 . 0 0 "[ . 1 . 2]" 1
362 1 47 VAL H 1 66 VAL MG2 1.800 . 6.300 3.882 3.681 4.088 . 0 0 "[ . 1 . 2]" 1
363 1 26 PRO HA 1 48 ALA H 1.800 . 5.600 5.221 4.875 5.566 . 0 0 "[ . 1 . 2]" 1
364 1 47 VAL H 1 48 ALA H 1.800 . 4.600 4.525 4.424 4.577 . 0 0 "[ . 1 . 2]" 1
365 1 47 VAL HA 1 48 ALA H 1.800 . 3.200 2.334 2.229 2.393 . 0 0 "[ . 1 . 2]" 1
366 1 47 VAL HB 1 48 ALA H 1.800 . 3.200 2.750 2.432 3.296 0.096 6 0 "[ . 1 . 2]" 1
367 1 47 VAL MG1 1 48 ALA H 1.800 . 5.600 3.397 1.889 3.920 . 0 0 "[ . 1 . 2]" 1
368 1 47 VAL MG2 1 48 ALA H 1.800 . 5.600 3.648 3.330 3.994 . 0 0 "[ . 1 . 2]" 1
369 1 48 ALA H 1 48 ALA MB 1.800 . 3.600 2.251 2.035 2.533 . 0 0 "[ . 1 . 2]" 1
370 1 48 ALA H 1 49 THR MG 1.800 . 6.300 4.536 2.985 5.670 . 0 0 "[ . 1 . 2]" 1
371 1 26 PRO HA 1 48 ALA MB 1.800 . 6.300 4.644 3.703 5.694 . 0 0 "[ . 1 . 2]" 1
372 1 47 VAL HA 1 48 ALA MB 1.800 . 6.000 3.972 3.757 4.146 . 0 0 "[ . 1 . 2]" 1
373 1 47 VAL HB 1 48 ALA MB 1.800 . 6.000 4.377 3.884 4.932 . 0 0 "[ . 1 . 2]" 1
374 1 47 VAL HA 1 49 THR H 1.800 . 5.600 4.282 3.860 4.898 . 0 0 "[ . 1 . 2]" 1
375 1 47 VAL HB 1 49 THR H 1.800 . 4.000 2.948 2.526 3.597 . 0 0 "[ . 1 . 2]" 1
376 1 47 VAL MG2 1 49 THR H 1.800 . 5.000 3.205 1.947 4.739 . 0 0 "[ . 1 . 2]" 1
377 1 48 ALA H 1 49 THR H 1.800 . 3.200 2.627 1.906 3.070 . 0 0 "[ . 1 . 2]" 1
378 1 48 ALA HA 1 49 THR H 1.800 . 4.000 3.314 2.862 3.570 . 0 0 "[ . 1 . 2]" 1
379 1 48 ALA MB 1 49 THR H 1.800 . 4.000 2.944 2.223 3.657 . 0 0 "[ . 1 . 2]" 1
380 1 49 THR H 1 49 THR MG 1.800 . 5.000 3.233 2.023 3.844 . 0 0 "[ . 1 . 2]" 1
381 1 49 THR H 1 50 PRO HD3 1.800 . 5.600 4.621 3.455 5.087 . 0 0 "[ . 1 . 2]" 1
382 1 49 THR H 1 65 LEU QD 1.800 . 6.300 3.884 2.528 5.136 . 0 0 "[ . 1 . 2]" 1
383 1 49 THR HB 1 50 PRO HD3 1.800 . 4.600 3.963 3.605 4.856 0.256 13 0 "[ . 1 . 2]" 1
384 1 49 THR HB 1 65 LEU MD2 1.800 . 6.300 4.946 3.326 5.821 . 0 0 "[ . 1 . 2]" 1
385 1 49 THR MG 1 50 PRO HD3 1.800 . 5.600 3.711 2.810 4.720 . 0 0 "[ . 1 . 2]" 1
386 1 49 THR MG 1 65 LEU MD2 1.800 . 5.000 4.139 1.925 4.996 . 0 0 "[ . 1 . 2]" 1
387 1 52 PRO HA 1 53 SER H 1.800 . 3.600 3.077 2.294 3.569 . 0 0 "[ . 1 . 2]" 1
388 1 52 PRO HB3 1 53 SER H 1.800 . 4.600 4.175 3.162 4.555 . 0 0 "[ . 1 . 2]" 1
389 1 53 SER H 1 54 ALA HA 1.800 . 4.600 4.424 3.860 4.809 0.209 2 0 "[ . 1 . 2]" 1
390 1 53 SER H 1 54 ALA MB 1.800 . 5.600 3.967 3.200 4.831 . 0 0 "[ . 1 . 2]" 1
391 1 53 SER H 1 54 ALA H 1.800 . 3.600 2.508 1.838 3.591 . 0 0 "[ . 1 . 2]" 1
392 1 53 SER HA 1 54 ALA H 1.800 . 3.600 3.202 2.196 3.569 . 0 0 "[ . 1 . 2]" 1
393 1 53 SER HB3 1 54 ALA H 1.800 . 4.600 3.575 2.102 4.447 . 0 0 "[ . 1 . 2]" 1
394 1 54 ALA H 1 54 ALA MB 1.800 . 4.600 2.721 2.090 2.944 . 0 0 "[ . 1 . 2]" 1
395 1 54 ALA H 1 55 GLN H 1.800 . 3.600 2.890 2.459 3.654 0.054 17 0 "[ . 1 . 2]" 1
396 1 53 SER HA 1 55 GLN H 1.800 . 5.600 4.671 3.321 5.608 0.008 10 0 "[ . 1 . 2]" 1
397 1 54 ALA HA 1 55 GLN H 1.800 . 3.600 2.852 2.376 3.573 . 0 0 "[ . 1 . 2]" 1
398 1 54 ALA MB 1 55 GLN H 1.800 . 5.600 3.436 2.210 3.718 . 0 0 "[ . 1 . 2]" 1
399 1 55 GLN H 1 56 PRO HD3 1.800 . 4.600 3.213 2.527 4.695 0.095 2 0 "[ . 1 . 2]" 1
400 1 56 PRO HA 1 57 TRP H 1.800 . 3.600 2.236 2.171 2.298 . 0 0 "[ . 1 . 2]" 1
401 1 56 PRO HB3 1 57 TRP H 1.800 . 4.600 3.737 3.604 3.900 . 0 0 "[ . 1 . 2]" 1
402 1 57 TRP H 1 58 LYS H 1.800 . 5.000 3.898 1.899 4.604 . 0 0 "[ . 1 . 2]" 1
403 1 57 TRP HA 1 58 LYS H 1.800 . 3.600 2.618 2.146 3.538 . 0 0 "[ . 1 . 2]" 1
404 1 57 TRP HB3 1 58 LYS H 1.800 . 4.600 3.128 1.973 4.516 . 0 0 "[ . 1 . 2]" 1
405 1 58 LYS H 1 58 LYS HG3 1.800 . 5.000 4.138 3.301 4.775 . 0 0 "[ . 1 . 2]" 1
406 1 57 TRP HA 1 59 GLY H 1.800 . 4.600 4.146 3.391 4.590 . 0 0 "[ . 1 . 2]" 1
407 1 58 LYS H 1 59 GLY H 1.800 . 5.000 2.760 2.119 3.662 . 0 0 "[ . 1 . 2]" 1
408 1 58 LYS HA 1 59 GLY H 1.800 . 3.600 2.980 2.422 3.562 . 0 0 "[ . 1 . 2]" 1
409 1 58 LYS HB3 1 59 GLY H 1.800 . 5.000 3.912 2.610 4.418 . 0 0 "[ . 1 . 2]" 1
410 1 59 GLY H 1 60 ASP H 1.800 . 5.000 3.695 1.984 4.611 . 0 0 "[ . 1 . 2]" 1
411 1 59 GLY HA2 1 60 ASP H 1.800 . 3.600 2.855 2.139 3.569 . 0 0 "[ . 1 . 2]" 1
412 1 59 GLY HA3 1 60 ASP H 1.800 . 3.600 2.689 2.138 3.530 . 0 0 "[ . 1 . 2]" 1
413 1 60 ASP H 1 60 ASP HB3 1.800 . 4.000 3.753 3.474 4.055 0.055 12 0 "[ . 1 . 2]" 1
414 1 61 PRO HA 1 62 VAL H 1.800 . 3.600 2.832 2.151 3.569 . 0 0 "[ . 1 . 2]" 1
415 1 61 PRO HB3 1 62 VAL H 1.800 . 4.600 4.057 3.210 4.561 . 0 0 "[ . 1 . 2]" 1
416 1 62 VAL H 1 62 VAL MG1 1.800 . 5.600 2.562 1.920 3.778 . 0 0 "[ . 1 . 2]" 1
417 1 62 VAL H 1 62 VAL MG2 1.800 . 5.600 2.922 1.928 3.776 . 0 0 "[ . 1 . 2]" 1
418 1 62 VAL H 1 63 GLU H 1.800 . 3.600 2.619 2.393 2.769 . 0 0 "[ . 1 . 2]" 1
419 1 62 VAL H 1 64 GLN H 1.800 . 4.600 4.289 4.034 4.534 . 0 0 "[ . 1 . 2]" 1
420 1 62 VAL MG2 1 63 GLU HA 1.800 . 6.000 4.123 3.217 5.430 . 0 0 "[ . 1 . 2]" 1
421 1 22 LYS HA 1 62 VAL MG2 1.800 . 6.000 4.405 3.393 4.803 . 0 0 "[ . 1 . 2]" 1
422 1 62 VAL MG1 1 63 GLU HA 1.800 . 6.000 3.887 3.057 5.451 . 0 0 "[ . 1 . 2]" 1
423 1 61 PRO HA 1 63 GLU H 1.800 . 4.600 3.804 3.209 4.362 . 0 0 "[ . 1 . 2]" 1
424 1 62 VAL HA 1 63 GLU H 1.800 . 3.600 3.472 3.457 3.522 . 0 0 "[ . 1 . 2]" 1
425 1 62 VAL HB 1 63 GLU H 1.800 . 5.600 3.750 2.934 4.137 . 0 0 "[ . 1 . 2]" 1
426 1 62 VAL QG 1 63 GLU H 1.800 . 5.600 2.478 1.968 3.439 . 0 0 "[ . 1 . 2]" 1
427 1 61 PRO HA 1 64 GLN H 1.800 . 5.600 4.249 3.303 5.001 . 0 0 "[ . 1 . 2]" 1
428 1 62 VAL HA 1 64 GLN H 1.800 . 5.000 3.785 3.633 4.135 . 0 0 "[ . 1 . 2]" 1
429 1 62 VAL HB 1 64 GLN H 1.800 . 6.000 5.396 4.991 5.687 . 0 0 "[ . 1 . 2]" 1
430 1 63 GLU H 1 64 GLN H 1.800 . 3.200 2.692 2.510 2.777 . 0 0 "[ . 1 . 2]" 1
431 1 63 GLU HA 1 64 GLN H 1.800 . 4.000 3.477 3.447 3.531 . 0 0 "[ . 1 . 2]" 1
432 1 64 GLN H 1 65 LEU QD 1.800 . 6.300 4.264 3.073 4.939 . 0 0 "[ . 1 . 2]" 1
433 1 64 GLN H 1 66 VAL H 1.800 . 4.200 4.012 3.719 4.212 0.012 11 0 "[ . 1 . 2]" 1
434 1 63 GLU HA 1 65 LEU H 1.800 . 4.400 4.087 3.820 4.402 0.002 8 0 "[ . 1 . 2]" 1
435 1 62 VAL HA 1 65 LEU H 1.800 . 3.400 3.111 2.798 3.414 0.014 10 0 "[ . 1 . 2]" 1
436 1 65 LEU H 1 65 LEU MD1 1.800 . 5.600 3.495 1.915 3.857 . 0 0 "[ . 1 . 2]" 1
437 1 65 LEU H 1 65 LEU MD2 1.800 . 5.600 3.649 2.748 4.417 . 0 0 "[ . 1 . 2]" 1
438 1 49 THR HA 1 65 LEU MD2 1.800 . 4.600 3.333 2.093 4.103 . 0 0 "[ . 1 . 2]" 1
439 1 50 PRO HD3 1 65 LEU MD2 1.800 . 4.000 2.974 1.918 4.004 0.004 18 0 "[ . 1 . 2]" 1
440 1 62 VAL HB 1 65 LEU MD1 1.800 . 5.600 4.046 3.064 4.872 . 0 0 "[ . 1 . 2]" 1
441 1 62 VAL HA 1 65 LEU MD1 1.800 . 4.600 2.435 1.952 3.157 . 0 0 "[ . 1 . 2]" 1
442 1 21 LEU QD 1 66 VAL H 1.800 . 6.000 5.546 5.274 5.952 . 0 0 "[ . 1 . 2]" 1
443 1 62 VAL HA 1 66 VAL H 1.800 . 5.600 4.883 3.875 5.613 0.013 17 0 "[ . 1 . 2]" 1
444 1 64 GLN HA 1 66 VAL H 1.800 . 4.600 3.720 3.321 4.400 . 0 0 "[ . 1 . 2]" 1
445 1 65 LEU H 1 66 VAL H 1.800 . 3.200 2.523 2.246 2.708 . 0 0 "[ . 1 . 2]" 1
446 1 65 LEU HA 1 66 VAL H 1.800 . 3.600 3.303 3.018 3.489 . 0 0 "[ . 1 . 2]" 1
447 1 65 LEU MD2 1 66 VAL H 1.800 . 6.300 4.759 4.485 5.436 . 0 0 "[ . 1 . 2]" 1
448 1 66 VAL H 1 66 VAL HB 1.800 . 3.200 2.688 2.620 2.765 . 0 0 "[ . 1 . 2]" 1
449 1 66 VAL H 1 66 VAL MG1 1.800 . 4.600 3.871 3.844 3.908 . 0 0 "[ . 1 . 2]" 1
450 1 66 VAL H 1 66 VAL MG2 1.800 . 5.600 2.852 2.626 2.950 . 0 0 "[ . 1 . 2]" 1
451 1 66 VAL H 1 67 ARG H 1.800 . 4.400 4.286 4.212 4.360 . 0 0 "[ . 1 . 2]" 1
452 1 18 ILE HA 1 66 VAL MG2 1.800 . 5.600 2.833 2.514 3.244 . 0 0 "[ . 1 . 2]" 1
453 1 62 VAL MG1 1 66 VAL MG2 1.800 . 6.300 3.837 1.894 5.155 . 0 0 "[ . 1 . 2]" 1
454 1 66 VAL HA 1 66 VAL MG2 1.800 . 3.200 2.329 2.279 2.400 . 0 0 "[ . 1 . 2]" 1
455 1 44 ALA HA 1 67 ARG H 1.800 . 5.000 4.895 4.870 4.942 . 0 0 "[ . 1 . 2]" 1
456 1 45 LEU H 1 67 ARG H 1.800 . 3.200 3.202 3.163 3.214 0.014 2 0 "[ . 1 . 2]" 1
457 1 46 LYS HA 1 67 ARG H 1.800 . 3.600 3.622 3.583 3.662 0.062 15 0 "[ . 1 . 2]" 1
458 1 47 VAL H 1 67 ARG H 1.800 . 4.600 4.365 4.160 4.504 . 0 0 "[ . 1 . 2]" 1
459 1 66 VAL HA 1 67 ARG H 1.800 . 3.200 2.144 2.141 2.151 . 0 0 "[ . 1 . 2]" 1
460 1 66 VAL HB 1 67 ARG H 1.800 . 5.000 4.224 4.159 4.270 . 0 0 "[ . 1 . 2]" 1
461 1 66 VAL MG1 1 67 ARG H 1.800 . 5.600 2.561 2.430 2.785 . 0 0 "[ . 1 . 2]" 1
462 1 66 VAL MG2 1 67 ARG H 1.800 . 5.600 4.064 4.018 4.131 . 0 0 "[ . 1 . 2]" 1
463 1 67 ARG H 1 67 ARG HB3 1.800 . 3.600 3.360 2.843 3.599 . 0 0 "[ . 1 . 2]" 1
464 1 67 ARG H 1 68 HIS HA 1.800 . 5.600 4.990 4.963 5.010 . 0 0 "[ . 1 . 2]" 1
465 1 44 ALA HA 1 68 HIS H 1.800 . 5.600 4.677 4.586 4.852 . 0 0 "[ . 1 . 2]" 1
466 1 67 ARG H 1 68 HIS H 1.800 . 4.400 4.300 4.275 4.349 . 0 0 "[ . 1 . 2]" 1
467 1 67 ARG HA 1 68 HIS H 1.800 . 3.200 2.141 2.140 2.142 . 0 0 "[ . 1 . 2]" 1
468 1 68 HIS H 1 69 PHE H 1.800 . 4.400 4.337 4.322 4.367 . 0 0 "[ . 1 . 2]" 1
469 1 42 GLY QA 1 69 PHE H 1.800 . 5.000 4.624 4.529 4.694 . 0 0 "[ . 1 . 2]" 1
470 1 43 LEU HB3 1 69 PHE H 1.800 . 3.600 3.622 3.605 3.641 0.041 8 0 "[ . 1 . 2]" 1
471 1 43 LEU QD 1 69 PHE H 1.800 . 6.300 4.220 3.132 4.543 . 0 0 "[ . 1 . 2]" 1
472 1 43 LEU HG 1 69 PHE H 1.800 . 4.600 4.578 4.261 4.657 0.057 13 0 "[ . 1 . 2]" 1
473 1 44 ALA HA 1 69 PHE H 1.800 . 3.600 3.613 3.577 3.638 0.038 13 0 "[ . 1 . 2]" 1
474 1 44 ALA MB 1 69 PHE H 1.800 . 6.300 4.627 4.564 4.729 . 0 0 "[ . 1 . 2]" 1
475 1 68 HIS HA 1 69 PHE H 1.800 . 3.200 2.146 2.145 2.147 . 0 0 "[ . 1 . 2]" 1
476 1 68 HIS HB3 1 69 PHE H 1.800 . 5.000 4.193 4.120 4.271 . 0 0 "[ . 1 . 2]" 1
477 1 69 PHE HA 1 70 LEU H 1.800 . 3.200 2.296 2.249 2.332 . 0 0 "[ . 1 . 2]" 1
478 1 69 PHE HB3 1 70 LEU H 1.800 . 4.400 2.755 2.610 3.134 . 0 0 "[ . 1 . 2]" 1
479 1 70 LEU H 1 70 LEU MD1 1.800 . 5.600 3.742 3.646 3.855 . 0 0 "[ . 1 . 2]" 1
480 1 70 LEU H 1 70 LEU MD2 1.800 . 5.600 2.428 1.918 3.051 . 0 0 "[ . 1 . 2]" 1
481 1 70 LEU H 1 80 ILE MG 1.800 . 5.600 3.835 3.426 4.282 . 0 0 "[ . 1 . 2]" 1
482 1 70 LEU HA 1 70 LEU MD1 1.800 . 5.600 3.954 3.672 4.090 . 0 0 "[ . 1 . 2]" 1
483 1 42 GLY QA 1 70 LEU QD 1.800 . 6.300 4.475 4.337 4.664 . 0 0 "[ . 1 . 2]" 1
484 1 70 LEU QD 1 72 GLU HA 1.800 . 6.300 4.975 4.139 5.461 . 0 0 "[ . 1 . 2]" 1
485 1 40 ALA HA 1 71 ILE H 1.800 . 5.600 4.732 4.583 4.918 . 0 0 "[ . 1 . 2]" 1
486 1 40 ALA MB 1 71 ILE H 1.800 . 6.000 3.907 3.652 4.042 . 0 0 "[ . 1 . 2]" 1
487 1 41 TYR H 1 71 ILE H 1.800 . 3.200 2.970 2.878 3.083 . 0 0 "[ . 1 . 2]" 1
488 1 42 GLY HA2 1 71 ILE H 1.800 . 3.600 3.592 3.537 3.624 0.024 14 0 "[ . 1 . 2]" 1
489 1 70 LEU H 1 71 ILE H 1.800 . 4.400 4.432 4.417 4.467 0.067 12 0 "[ . 1 . 2]" 1
490 1 70 LEU HA 1 71 ILE H 1.800 . 3.200 2.145 2.141 2.155 . 0 0 "[ . 1 . 2]" 1
491 1 70 LEU MD1 1 71 ILE H 1.800 . 6.300 4.430 3.691 4.836 . 0 0 "[ . 1 . 2]" 1
492 1 70 LEU MD2 1 71 ILE H 1.800 . 6.300 5.185 5.077 5.301 . 0 0 "[ . 1 . 2]" 1
493 1 71 ILE H 1 71 ILE HB 1.800 . 3.200 2.701 2.653 2.761 . 0 0 "[ . 1 . 2]" 1
494 1 71 ILE H 1 71 ILE MD 1.800 . 5.000 2.551 1.998 3.757 . 0 0 "[ . 1 . 2]" 1
495 1 71 ILE H 1 71 ILE MG 1.800 . 4.600 3.842 3.831 3.859 . 0 0 "[ . 1 . 2]" 1
496 1 71 ILE H 1 80 ILE HA 1.800 . 5.000 4.538 4.416 5.024 0.024 13 0 "[ . 1 . 2]" 1
497 1 71 ILE H 1 92 LEU MD2 1.800 . 6.300 4.848 4.234 5.529 . 0 0 "[ . 1 . 2]" 1
498 1 31 ILE MG 1 71 ILE MD 1.800 . 5.000 4.288 3.653 4.966 . 0 0 "[ . 1 . 2]" 1
499 1 42 GLY QA 1 71 ILE MD 1.800 . 5.600 3.678 3.246 5.096 . 0 0 "[ . 1 . 2]" 1
500 1 70 LEU HA 1 71 ILE MD 1.800 . 5.000 3.524 3.018 5.000 . 0 0 "[ . 1 . 2]" 1
501 1 71 ILE HA 1 71 ILE MD 1.800 . 5.000 3.690 3.475 3.874 . 0 0 "[ . 1 . 2]" 1
502 1 71 ILE HB 1 71 ILE MD 1.800 . 3.200 2.122 2.022 2.450 . 0 0 "[ . 1 . 2]" 1
503 1 71 ILE MD 1 71 ILE MG 1.800 . 4.600 2.856 1.922 3.152 . 0 0 "[ . 1 . 2]" 1
504 1 71 ILE MD 1 80 ILE HA 1.800 . 5.600 4.119 3.598 4.652 . 0 0 "[ . 1 . 2]" 1
505 1 71 ILE MD 1 92 LEU MD1 1.800 . 6.300 4.282 2.596 5.032 . 0 0 "[ . 1 . 2]" 1
506 1 71 ILE MD 1 92 LEU MD2 1.800 . 5.600 2.829 2.044 3.950 . 0 0 "[ . 1 . 2]" 1
507 1 41 TYR HB3 1 71 ILE MG 1.800 . 6.300 5.666 5.445 5.990 . 0 0 "[ . 1 . 2]" 1
508 1 71 ILE HA 1 71 ILE MG 1.800 . 4.600 2.325 2.294 2.375 . 0 0 "[ . 1 . 2]" 1
509 1 71 ILE MG 1 72 GLU HA 0.800 . 5.300 3.861 3.768 3.985 . 0 0 "[ . 1 . 2]" 1
510 1 71 ILE MG 1 73 THR HA 1.800 . 6.300 4.417 4.331 4.507 . 0 0 "[ . 1 . 2]" 1
511 1 71 ILE MG 1 73 THR HB 1.800 . 5.600 4.200 3.923 4.615 . 0 0 "[ . 1 . 2]" 1
512 1 71 ILE MG 1 78 VAL HA 1.800 . 5.600 3.819 3.687 3.947 . 0 0 "[ . 1 . 2]" 1
513 1 71 ILE MG 1 78 VAL MG2 1.800 . 4.600 1.770 1.710 1.827 0.090 12 0 "[ . 1 . 2]" 1
514 1 71 ILE MG 1 92 LEU MD1 1.800 . 6.300 4.412 3.148 5.077 . 0 0 "[ . 1 . 2]" 1
515 1 71 ILE MG 1 92 LEU MD2 1.800 . 5.000 3.108 2.168 4.306 . 0 0 "[ . 1 . 2]" 1
516 1 71 ILE H 1 72 GLU H 1.800 . 4.400 4.501 4.483 4.518 0.118 15 0 "[ . 1 . 2]" 1
517 1 71 ILE HA 1 72 GLU H 1.800 . 3.200 2.182 2.179 2.189 . 0 0 "[ . 1 . 2]" 1
518 1 71 ILE MG 1 72 GLU H 1.800 . 4.600 2.319 2.220 2.414 . 0 0 "[ . 1 . 2]" 1
519 1 72 GLU H 1 78 VAL HA 1.800 . 5.600 4.743 4.677 4.999 . 0 0 "[ . 1 . 2]" 1
520 1 72 GLU H 1 80 ILE HA 1.800 . 3.600 3.443 3.208 3.551 . 0 0 "[ . 1 . 2]" 1
521 1 40 ALA MB 1 72 GLU HA 1.800 . 4.600 3.096 2.430 3.329 . 0 0 "[ . 1 . 2]" 1
522 1 40 ALA HA 1 73 THR H 1.800 . 3.600 3.607 3.563 3.621 0.021 12 0 "[ . 1 . 2]" 1
523 1 41 TYR H 1 73 THR H 1.800 . 6.000 5.268 5.000 5.536 . 0 0 "[ . 1 . 2]" 1
524 1 72 GLU H 1 73 THR H 1.800 . 5.000 4.447 4.401 4.486 . 0 0 "[ . 1 . 2]" 1
525 1 72 GLU HA 1 73 THR H 1.800 . 3.200 2.186 2.165 2.232 . 0 0 "[ . 1 . 2]" 1
526 1 73 THR H 1 73 THR HB 1.800 . 3.600 3.180 3.083 3.251 . 0 0 "[ . 1 . 2]" 1
527 1 73 THR H 1 73 THR MG 1.800 . 3.600 1.949 1.918 1.996 . 0 0 "[ . 1 . 2]" 1
528 1 73 THR HA 1 78 VAL HA 1.800 . 3.200 2.018 1.976 2.149 . 0 0 "[ . 1 . 2]" 1
529 1 40 ALA HA 1 73 THR HB 1.800 . 6.000 5.540 5.243 5.865 . 0 0 "[ . 1 . 2]" 1
530 1 73 THR HB 1 78 VAL HA 1.800 . 3.600 3.487 3.334 3.604 0.004 4 0 "[ . 1 . 2]" 1
531 1 40 ALA HA 1 73 THR MG 1.800 . 5.600 3.720 3.314 4.042 . 0 0 "[ . 1 . 2]" 1
532 1 73 THR HA 1 73 THR MG 1.800 . 4.600 3.191 3.182 3.204 . 0 0 "[ . 1 . 2]" 1
533 1 73 THR MG 1 74 GLY QA 1.800 . 6.300 3.946 3.738 4.048 . 0 0 "[ . 1 . 2]" 1
534 1 73 THR MG 1 78 VAL HA 1.800 . 6.000 4.641 4.564 4.707 . 0 0 "[ . 1 . 2]" 1
535 1 73 THR MG 1 78 VAL HB 1.800 . 6.300 4.008 3.825 4.642 . 0 0 "[ . 1 . 2]" 1
536 1 73 THR MG 1 78 VAL QG 1.800 . 6.000 3.363 3.111 3.606 . 0 0 "[ . 1 . 2]" 1
537 1 73 THR H 1 74 GLY H 1.800 . 4.400 4.329 4.283 4.402 0.002 8 0 "[ . 1 . 2]" 1
538 1 73 THR HA 1 74 GLY H 1.800 . 3.200 2.150 2.146 2.174 . 0 0 "[ . 1 . 2]" 1
539 1 73 THR HB 1 74 GLY H 1.800 . 4.600 4.185 4.083 4.223 . 0 0 "[ . 1 . 2]" 1
540 1 73 THR MG 1 74 GLY H 1.800 . 6.000 4.127 3.934 4.179 . 0 0 "[ . 1 . 2]" 1
541 1 74 GLY H 1 75 PRO HA 1.800 . 6.000 5.324 5.204 5.388 . 0 0 "[ . 1 . 2]" 1
542 1 74 GLY H 1 77 GLY H 1.800 . 3.200 3.166 3.046 3.214 0.014 13 0 "[ . 1 . 2]" 1
543 1 74 GLY H 1 78 VAL H 1.800 . 5.600 4.660 4.552 4.906 . 0 0 "[ . 1 . 2]" 1
544 1 74 GLY H 1 78 VAL HA 1.800 . 4.600 3.199 3.095 3.426 . 0 0 "[ . 1 . 2]" 1
545 1 74 GLY H 1 78 VAL MG1 1.800 . 6.300 5.196 5.005 5.613 . 0 0 "[ . 1 . 2]" 1
546 1 74 GLY H 1 78 VAL MG2 1.800 . 6.300 4.558 4.410 4.830 . 0 0 "[ . 1 . 2]" 1
547 1 75 PRO HB3 1 76 LYS H 1.800 . 5.000 4.420 4.417 4.428 . 0 0 "[ . 1 . 2]" 1
548 1 76 LYS H 1 76 LYS HG3 1.800 . 4.600 3.488 2.335 4.302 . 0 0 "[ . 1 . 2]" 1
549 1 76 LYS H 1 77 GLY H 1.800 . 3.200 2.185 2.156 2.199 . 0 0 "[ . 1 . 2]" 1
550 1 73 THR HA 1 77 GLY H 1.800 . 5.000 4.918 4.750 4.985 . 0 0 "[ . 1 . 2]" 1
551 1 75 PRO HA 1 77 GLY H 1.800 . 4.600 3.810 3.792 3.842 . 0 0 "[ . 1 . 2]" 1
552 1 76 LYS HA 1 77 GLY H 1.800 . 3.600 3.253 3.236 3.301 . 0 0 "[ . 1 . 2]" 1
553 1 76 LYS HB3 1 77 GLY H 1.800 . 5.000 4.214 3.655 4.466 . 0 0 "[ . 1 . 2]" 1
554 1 76 LYS HG3 1 77 GLY H 1.800 . 6.000 4.886 2.761 5.708 . 0 0 "[ . 1 . 2]" 1
555 1 77 GLY H 1 78 VAL HA 1.800 . 5.600 4.955 4.907 4.985 . 0 0 "[ . 1 . 2]" 1
556 1 77 GLY H 1 88 TYR HA 1.800 . 6.500 6.175 5.794 6.508 0.008 16 0 "[ . 1 . 2]" 1
557 1 77 GLY H 1 88 TYR HB3 1.800 . 6.500 5.468 4.829 6.510 0.010 18 0 "[ . 1 . 2]" 1
558 1 73 THR HA 1 78 VAL H 1.800 . 5.000 4.392 4.287 4.685 . 0 0 "[ . 1 . 2]" 1
559 1 73 THR MG 1 78 VAL H 1.800 . 6.500 6.239 6.114 6.516 0.016 18 0 "[ . 1 . 2]" 1
560 1 77 GLY H 1 78 VAL H 1.800 . 4.400 4.450 4.425 4.496 0.096 18 0 "[ . 1 . 2]" 1
561 1 77 GLY HA2 1 78 VAL H 1.800 . 3.200 2.614 2.523 3.086 . 0 0 "[ . 1 . 2]" 1
562 1 77 GLY HA3 1 78 VAL H 1.800 . 3.200 2.524 2.175 2.604 . 0 0 "[ . 1 . 2]" 1
563 1 78 VAL H 1 78 VAL HB 1.800 . 3.200 3.048 2.994 3.230 0.030 14 0 "[ . 1 . 2]" 1
564 1 78 VAL H 1 78 VAL MG1 1.800 . 4.600 1.958 1.907 2.236 . 0 0 "[ . 1 . 2]" 1
565 1 78 VAL H 1 78 VAL MG2 1.800 . 5.600 3.853 3.816 3.940 . 0 0 "[ . 1 . 2]" 1
566 1 78 VAL H 1 88 TYR HA 1.800 . 3.600 3.500 3.234 3.608 0.008 11 0 "[ . 1 . 2]" 1
567 1 78 VAL H 1 88 TYR HB3 1.800 . 5.000 4.524 3.906 5.077 0.077 14 0 "[ . 1 . 2]" 1
568 1 78 VAL H 1 89 PHE H 1.800 . 3.200 3.223 3.113 3.348 0.148 14 0 "[ . 1 . 2]" 1
569 1 78 VAL H 1 90 GLY QA 1.800 . 5.000 4.068 3.813 4.211 . 0 0 "[ . 1 . 2]" 1
570 1 78 VAL H 1 91 SER H 1.800 . 6.000 5.363 5.185 5.542 . 0 0 "[ . 1 . 2]" 1
571 1 78 VAL H 1 92 LEU QD 1.800 . 6.500 6.436 5.194 6.533 0.033 20 0 "[ . 1 . 2]" 1
572 1 73 THR HA 1 78 VAL HB 1.800 . 4.600 2.824 2.561 3.644 . 0 0 "[ . 1 . 2]" 1
573 1 78 VAL HB 1 92 LEU QD 1.800 . 6.300 4.369 3.258 4.836 . 0 0 "[ . 1 . 2]" 1
574 1 73 THR HA 1 78 VAL MG1 1.800 . 6.300 4.252 4.080 4.698 . 0 0 "[ . 1 . 2]" 1
575 1 73 THR HB 1 78 VAL MG1 1.800 . 5.600 3.855 3.611 4.540 . 0 0 "[ . 1 . 2]" 1
576 1 78 VAL HA 1 78 VAL MG1 1.800 . 4.600 3.201 3.199 3.203 . 0 0 "[ . 1 . 2]" 1
577 1 78 VAL MG1 1 79 LYS HA 1.800 . 6.000 3.885 3.529 3.986 . 0 0 "[ . 1 . 2]" 1
578 1 78 VAL MG1 1 89 PHE HB3 1.800 . 4.600 3.518 2.792 4.037 . 0 0 "[ . 1 . 2]" 1
579 1 78 VAL MG1 1 92 LEU HA 1.800 . 4.600 3.216 3.072 3.392 . 0 0 "[ . 1 . 2]" 1
580 1 78 VAL MG1 1 92 LEU QD 1.800 . 6.000 3.738 2.482 4.170 . 0 0 "[ . 1 . 2]" 1
581 1 78 VAL MG1 1 95 LEU QD 1.800 . 6.000 1.822 1.744 1.906 0.056 18 0 "[ . 1 . 2]" 1
582 1 72 GLU HA 1 78 VAL MG2 1.800 . 6.000 4.008 3.840 4.307 . 0 0 "[ . 1 . 2]" 1
583 1 73 THR HA 1 78 VAL MG2 1.800 . 5.600 2.779 2.597 3.060 . 0 0 "[ . 1 . 2]" 1
584 1 73 THR HB 1 78 VAL MG2 1.800 . 3.600 2.286 1.978 2.534 . 0 0 "[ . 1 . 2]" 1
585 1 73 THR MG 1 78 VAL MG2 1.800 . 5.600 3.430 3.159 3.683 . 0 0 "[ . 1 . 2]" 1
586 1 78 VAL MG2 1 91 SER HA 1.800 . 6.000 3.929 3.492 4.225 . 0 0 "[ . 1 . 2]" 1
587 1 78 VAL MG2 1 92 LEU HA 1.800 . 5.000 3.260 2.870 3.440 . 0 0 "[ . 1 . 2]" 1
588 1 78 VAL MG2 1 92 LEU QD 1.800 . 4.600 2.736 1.815 3.145 . 0 0 "[ . 1 . 2]" 1
589 1 72 GLU H 1 79 LYS H 1.800 . 3.200 3.288 3.263 3.326 0.126 14 0 "[ . 1 . 2]" 1
590 1 73 THR HA 1 79 LYS H 1.800 . 3.600 3.579 3.356 3.617 0.017 18 0 "[ . 1 . 2]" 1
591 1 78 VAL H 1 79 LYS H 1.800 . 4.400 4.385 4.266 4.411 0.011 13 0 "[ . 1 . 2]" 1
592 1 78 VAL HA 1 79 LYS H 1.800 . 3.200 2.155 2.147 2.226 . 0 0 "[ . 1 . 2]" 1
593 1 78 VAL MG1 1 79 LYS H 1.800 . 6.000 3.977 3.601 4.059 . 0 0 "[ . 1 . 2]" 1
594 1 78 VAL MG2 1 79 LYS H 1.800 . 3.600 2.553 2.298 2.692 . 0 0 "[ . 1 . 2]" 1
595 1 79 LYS H 1 89 PHE H 1.800 . 5.600 4.980 4.860 5.113 . 0 0 "[ . 1 . 2]" 1
596 1 79 LYS H 1 80 ILE H 1.800 . 4.400 4.413 4.336 4.446 0.046 8 0 "[ . 1 . 2]" 1
597 1 79 LYS HA 1 80 ILE H 1.800 . 3.200 2.299 2.200 2.368 . 0 0 "[ . 1 . 2]" 1
598 1 80 ILE H 1 80 ILE HB 1.800 . 3.200 2.569 2.437 2.642 . 0 0 "[ . 1 . 2]" 1
599 1 80 ILE H 1 80 ILE MD 1.800 . 5.000 2.661 1.911 3.631 . 0 0 "[ . 1 . 2]" 1
600 1 80 ILE H 1 81 LYS H 1.800 . 4.400 4.441 4.380 4.557 0.157 15 0 "[ . 1 . 2]" 1
601 1 80 ILE H 1 88 TYR HA 1.800 . 6.000 5.558 5.413 5.958 . 0 0 "[ . 1 . 2]" 1
602 1 43 LEU MD2 1 80 ILE MG 1.800 . 6.300 3.553 2.830 4.405 . 0 0 "[ . 1 . 2]" 1
603 1 69 PHE HA 1 80 ILE MG 1.800 . 6.300 4.295 3.967 4.695 . 0 0 "[ . 1 . 2]" 1
604 1 69 PHE HB3 1 80 ILE MG 1.800 . 5.000 2.291 1.926 2.824 . 0 0 "[ . 1 . 2]" 1
605 1 80 ILE HA 1 80 ILE MG 1.800 . 3.600 2.289 2.194 2.382 . 0 0 "[ . 1 . 2]" 1
606 1 80 ILE HG13 1 80 ILE MG 1.800 . 4.600 2.899 2.310 3.203 . 0 0 "[ . 1 . 2]" 1
607 1 80 ILE MD 1 80 ILE MG 1.800 . 3.600 2.646 1.907 3.155 . 0 0 "[ . 1 . 2]" 1
608 1 43 LEU MD2 1 80 ILE MD 1.800 . 6.300 3.556 2.630 4.475 . 0 0 "[ . 1 . 2]" 1
609 1 71 ILE HA 1 80 ILE MD 1.800 . 6.500 4.967 3.031 5.378 . 0 0 "[ . 1 . 2]" 1
610 1 80 ILE MD 1 96 VAL QG 1.800 . 6.500 5.081 4.489 5.521 . 0 0 "[ . 1 . 2]" 1
611 1 80 ILE MD 1 106 LEU QD 1.800 . 6.300 3.725 2.011 5.072 . 0 0 "[ . 1 . 2]" 1
612 1 70 LEU H 1 81 LYS H 1.800 . 5.000 4.352 4.045 4.682 . 0 0 "[ . 1 . 2]" 1
613 1 71 ILE H 1 81 LYS H 1.800 . 5.600 4.631 4.489 4.841 . 0 0 "[ . 1 . 2]" 1
614 1 71 ILE HA 1 81 LYS H 1.800 . 3.600 2.461 2.252 2.732 . 0 0 "[ . 1 . 2]" 1
615 1 72 GLU H 1 81 LYS H 1.800 . 5.000 3.559 3.137 3.920 . 0 0 "[ . 1 . 2]" 1
616 1 79 LYS HA 1 81 LYS H 1.800 . 6.300 5.888 5.783 6.080 . 0 0 "[ . 1 . 2]" 1
617 1 80 ILE HA 1 81 LYS H 1.800 . 3.200 2.142 2.138 2.165 . 0 0 "[ . 1 . 2]" 1
618 1 80 ILE HB 1 81 LYS H 1.800 . 5.000 4.224 4.121 4.297 . 0 0 "[ . 1 . 2]" 1
619 1 80 ILE MG 1 81 LYS H 1.800 . 5.600 2.636 2.221 2.892 . 0 0 "[ . 1 . 2]" 1
620 1 80 ILE MD 1 81 LYS H 1.800 . 6.300 5.106 3.724 5.342 . 0 0 "[ . 1 . 2]" 1
621 1 81 LYS H 1 81 LYS HB3 1.800 . 4.000 2.796 2.399 3.445 . 0 0 "[ . 1 . 2]" 1
622 1 80 ILE MG 1 82 GLY H 1.800 . 6.000 3.948 1.875 4.827 . 0 0 "[ . 1 . 2]" 1
623 1 81 LYS H 1 82 GLY H 1.800 . 5.000 4.143 2.829 4.611 . 0 0 "[ . 1 . 2]" 1
624 1 81 LYS HA 1 82 GLY H 1.800 . 3.600 2.347 2.144 3.530 . 0 0 "[ . 1 . 2]" 1
625 1 81 LYS HD3 1 82 GLY H 1.800 . 6.000 4.669 3.174 5.736 . 0 0 "[ . 1 . 2]" 1
626 1 80 ILE MG 1 83 CYS H 1.800 . 5.600 4.174 3.626 4.904 . 0 0 "[ . 1 . 2]" 1
627 1 80 ILE HB 1 83 CYS H 1.800 . 5.000 4.545 4.025 5.003 0.003 8 0 "[ . 1 . 2]" 1
628 1 81 LYS HA 1 83 CYS H 1.800 . 4.000 3.795 3.327 4.018 0.018 13 0 "[ . 1 . 2]" 1
629 1 82 GLY H 1 83 CYS H 1.800 . 3.600 2.134 1.893 3.506 . 0 0 "[ . 1 . 2]" 1
630 1 82 GLY HA2 1 83 CYS H 1.800 . 3.600 3.406 2.593 3.536 . 0 0 "[ . 1 . 2]" 1
631 1 82 GLY HA3 1 83 CYS H 1.800 . 3.600 3.018 2.833 3.569 . 0 0 "[ . 1 . 2]" 1
632 1 83 CYS HA 1 86 GLU H 1.800 . 6.300 5.650 3.885 6.363 0.063 11 0 "[ . 1 . 2]" 1
633 1 85 SER H 1 86 GLU H 1.800 . 3.600 3.003 2.054 3.232 . 0 0 "[ . 1 . 2]" 1
634 1 85 SER HA 1 86 GLU H 1.800 . 3.600 3.551 3.377 3.570 . 0 0 "[ . 1 . 2]" 1
635 1 85 SER HB3 1 86 GLU H 1.800 . 3.600 2.540 1.945 3.600 . 0 0 "[ . 1 . 2]" 1
636 1 86 GLU H 1 87 PRO HA 1.800 . 5.600 5.171 4.170 5.385 . 0 0 "[ . 1 . 2]" 1
637 1 86 GLU H 1 104 ILE MG 1.800 . 5.000 3.933 2.968 4.408 . 0 0 "[ . 1 . 2]" 1
638 1 79 LYS HA 1 88 TYR H 1.800 . 3.600 3.624 3.456 3.858 0.258 18 0 "[ . 1 . 2]" 1
639 1 79 LYS HB3 1 88 TYR H 1.800 . 3.600 2.831 1.949 3.728 0.128 14 0 "[ . 1 . 2]" 1
640 1 87 PRO HA 1 88 TYR H 1.800 . 3.600 3.360 2.741 3.571 . 0 0 "[ . 1 . 2]" 1
641 1 87 PRO HB3 1 88 TYR H 1.800 . 5.000 4.159 3.127 4.528 . 0 0 "[ . 1 . 2]" 1
642 1 88 TYR H 1 89 PHE H 1.800 . 3.600 3.262 2.370 3.443 . 0 0 "[ . 1 . 2]" 1
643 1 77 GLY QA 1 89 PHE H 1.800 . 5.000 4.317 4.119 4.671 . 0 0 "[ . 1 . 2]" 1
644 1 78 VAL HB 1 89 PHE H 1.800 . 6.000 5.370 5.155 5.553 . 0 0 "[ . 1 . 2]" 1
645 1 78 VAL MG1 1 89 PHE H 1.800 . 5.000 2.961 2.671 3.152 . 0 0 "[ . 1 . 2]" 1
646 1 79 LYS HA 1 89 PHE H 1.800 . 3.600 3.628 3.499 3.671 0.071 8 0 "[ . 1 . 2]" 1
647 1 88 TYR HA 1 89 PHE H 1.800 . 3.200 2.337 2.244 2.584 . 0 0 "[ . 1 . 2]" 1
648 1 88 TYR HB3 1 89 PHE H 1.800 . 5.000 4.275 4.007 4.635 . 0 0 "[ . 1 . 2]" 1
649 1 89 PHE H 1 90 GLY QA 1.800 . 6.000 5.195 5.136 5.286 . 0 0 "[ . 1 . 2]" 1
650 1 78 VAL MG1 1 90 GLY H 1.800 . 5.000 3.743 3.415 4.079 . 0 0 "[ . 1 . 2]" 1
651 1 88 TYR HA 1 90 GLY H 1.800 . 6.300 6.367 6.355 6.391 0.091 8 0 "[ . 1 . 2]" 1
652 1 89 PHE H 1 90 GLY H 1.800 . 4.400 4.472 4.427 4.540 0.140 8 0 "[ . 1 . 2]" 1
653 1 89 PHE HA 1 90 GLY H 1.800 . 3.200 2.672 2.612 2.747 . 0 0 "[ . 1 . 2]" 1
654 1 89 PHE HB3 1 90 GLY H 1.800 . 3.600 1.945 1.890 2.002 . 0 0 "[ . 1 . 2]" 1
655 1 90 GLY H 1 91 SER H 1.800 . 3.200 2.890 2.562 3.147 . 0 0 "[ . 1 . 2]" 1
656 1 90 GLY H 1 94 ALA MB 1.800 . 5.000 2.351 2.121 2.640 . 0 0 "[ . 1 . 2]" 1
657 1 78 VAL MG1 1 91 SER H 1.800 . 4.600 3.249 3.050 3.464 . 0 0 "[ . 1 . 2]" 1
658 1 89 PHE H 1 91 SER H 1.800 . 6.000 6.010 5.999 6.026 0.026 11 0 "[ . 1 . 2]" 1
659 1 89 PHE HA 1 91 SER H 1.800 . 5.600 5.314 5.014 5.508 . 0 0 "[ . 1 . 2]" 1
660 1 89 PHE HB3 1 91 SER H 1.800 . 4.600 3.658 3.109 4.025 . 0 0 "[ . 1 . 2]" 1
661 1 90 GLY HA2 1 91 SER H 1.800 . 3.600 3.559 3.542 3.570 . 0 0 "[ . 1 . 2]" 1
662 1 90 GLY HA3 1 91 SER H 1.800 . 3.200 2.489 2.387 2.634 . 0 0 "[ . 1 . 2]" 1
663 1 91 SER H 1 93 SER H 1.800 . 5.600 4.490 4.284 4.639 . 0 0 "[ . 1 . 2]" 1
664 1 91 SER H 1 94 ALA H 1.800 . 3.400 2.918 2.736 3.049 . 0 0 "[ . 1 . 2]" 1
665 1 91 SER H 1 94 ALA MB 1.800 . 4.600 1.853 1.822 1.879 . 0 0 "[ . 1 . 2]" 1
666 1 91 SER H 1 95 LEU MD1 1.800 . 6.300 6.143 6.010 6.222 . 0 0 "[ . 1 . 2]" 1
667 1 78 VAL MG1 1 91 SER HA 1.800 . 4.400 2.297 1.977 2.635 . 0 0 "[ . 1 . 2]" 1
668 1 78 VAL MG1 1 92 LEU H 1.800 . 3.600 3.293 2.987 3.612 0.012 20 0 "[ . 1 . 2]" 1
669 1 91 SER H 1 92 LEU H 1.800 . 4.400 4.404 4.371 4.434 0.034 12 0 "[ . 1 . 2]" 1
670 1 91 SER HA 1 92 LEU H 1.800 . 3.200 2.560 2.500 2.650 . 0 0 "[ . 1 . 2]" 1
671 1 92 LEU H 1 92 LEU HB3 1.800 . 3.600 3.528 3.515 3.545 . 0 0 "[ . 1 . 2]" 1
672 1 92 LEU H 1 92 LEU HG 1.800 . 3.200 3.006 2.714 3.461 0.261 7 0 "[ . 1 . 2]" 1
673 1 92 LEU H 1 92 LEU QD 1.800 . 5.600 2.899 1.953 3.371 . 0 0 "[ . 1 . 2]" 1
674 1 92 LEU H 1 93 SER HA 1.800 . 5.400 5.367 5.350 5.378 . 0 0 "[ . 1 . 2]" 1
675 1 78 VAL MG1 1 93 SER H 1.800 . 6.500 4.851 4.722 5.053 . 0 0 "[ . 1 . 2]" 1
676 1 91 SER HA 1 93 SER H 1.800 . 4.400 4.415 4.383 4.447 0.047 11 0 "[ . 1 . 2]" 1
677 1 92 LEU H 1 93 SER H 1.800 . 3.200 2.777 2.756 2.791 . 0 0 "[ . 1 . 2]" 1
678 1 92 LEU HA 1 93 SER H 1.800 . 3.600 3.517 3.513 3.523 . 0 0 "[ . 1 . 2]" 1
679 1 92 LEU HB3 1 93 SER H 1.800 . 3.400 3.422 3.362 3.458 0.058 7 0 "[ . 1 . 2]" 1
680 1 92 LEU HG 1 93 SER H 1.800 . 5.000 4.866 4.774 4.999 . 0 0 "[ . 1 . 2]" 1
681 1 92 LEU MD1 1 93 SER H 1.800 . 6.000 4.510 4.090 4.837 . 0 0 "[ . 1 . 2]" 1
682 1 92 LEU MD2 1 93 SER H 1.800 . 6.000 4.741 4.133 4.895 . 0 0 "[ . 1 . 2]" 1
683 1 93 SER H 1 94 ALA MB 1.800 . 5.200 4.222 4.191 4.241 . 0 0 "[ . 1 . 2]" 1
684 1 93 SER H 1 95 LEU H 1.800 . 4.400 4.260 4.250 4.273 . 0 0 "[ . 1 . 2]" 1
685 1 93 SER H 1 96 VAL HB 1.800 . 5.600 4.711 4.684 4.767 . 0 0 "[ . 1 . 2]" 1
686 1 78 VAL MG1 1 94 ALA H 1.800 . 6.300 4.459 4.254 4.735 . 0 0 "[ . 1 . 2]" 1
687 1 91 SER HA 1 94 ALA H 1.800 . 5.000 4.468 4.447 4.495 . 0 0 "[ . 1 . 2]" 1
688 1 92 LEU H 1 94 ALA H 1.800 . 4.200 4.177 4.146 4.201 0.001 20 0 "[ . 1 . 2]" 1
689 1 92 LEU HA 1 94 ALA H 1.800 . 5.000 4.283 4.271 4.300 . 0 0 "[ . 1 . 2]" 1
690 1 93 SER H 1 94 ALA H 1.800 . 3.200 2.542 2.536 2.549 . 0 0 "[ . 1 . 2]" 1
691 1 93 SER HA 1 94 ALA H 1.800 . 3.600 3.508 3.505 3.510 . 0 0 "[ . 1 . 2]" 1
692 1 94 ALA H 1 94 ALA MB 1.800 . 3.600 2.204 2.147 2.239 . 0 0 "[ . 1 . 2]" 1
693 1 94 ALA H 1 95 LEU H 1.800 . 3.200 2.662 2.657 2.668 . 0 0 "[ . 1 . 2]" 1
694 1 94 ALA H 1 95 LEU MD1 1.800 . 5.600 4.894 4.886 4.908 . 0 0 "[ . 1 . 2]" 1
695 1 94 ALA H 1 96 VAL HB 1.800 . 4.800 4.780 4.755 4.823 0.023 1 0 "[ . 1 . 2]" 1
696 1 94 ALA H 1 97 SER H 1.800 . 4.800 4.723 4.700 4.745 . 0 0 "[ . 1 . 2]" 1
697 1 89 PHE HB3 1 94 ALA MB 1.800 . 5.600 2.253 1.931 2.508 . 0 0 "[ . 1 . 2]" 1
698 1 89 PHE HA 1 94 ALA MB 1.800 . 6.300 4.146 3.775 4.515 . 0 0 "[ . 1 . 2]" 1
699 1 94 ALA MB 1 95 LEU HA 1.800 . 5.600 3.795 3.755 3.827 . 0 0 "[ . 1 . 2]" 1
700 1 94 ALA MB 1 95 LEU MD1 1.800 . 6.000 4.948 4.940 4.959 . 0 0 "[ . 1 . 2]" 1
701 1 89 PHE HB3 1 95 LEU H 1.800 . 4.600 3.670 3.358 3.963 . 0 0 "[ . 1 . 2]" 1
702 1 91 SER HA 1 95 LEU H 1.800 . 6.000 5.109 5.060 5.138 . 0 0 "[ . 1 . 2]" 1
703 1 92 LEU H 1 95 LEU H 1.800 . 5.400 4.964 4.943 4.978 . 0 0 "[ . 1 . 2]" 1
704 1 92 LEU HA 1 95 LEU H 1.800 . 3.600 3.605 3.591 3.630 0.030 12 0 "[ . 1 . 2]" 1
705 1 92 LEU HB3 1 95 LEU H 1.800 . 6.000 5.519 5.507 5.536 . 0 0 "[ . 1 . 2]" 1
706 1 93 SER HA 1 95 LEU H 1.800 . 4.400 4.549 4.538 4.557 0.157 13 0 "[ . 1 . 2]" 1
707 1 94 ALA HA 1 95 LEU H 1.800 . 3.600 3.552 3.551 3.553 . 0 0 "[ . 1 . 2]" 1
708 1 94 ALA MB 1 95 LEU H 1.800 . 4.600 2.448 2.436 2.476 . 0 0 "[ . 1 . 2]" 1
709 1 95 LEU H 1 95 LEU MD1 1.800 . 3.200 3.359 3.346 3.379 0.179 7 0 "[ . 1 . 2]" 1
710 1 95 LEU H 1 95 LEU MD2 1.800 . 3.200 3.174 3.144 3.217 0.017 18 0 "[ . 1 . 2]" 1
711 1 95 LEU H 1 96 VAL H 1.800 . 3.200 2.499 2.495 2.509 . 0 0 "[ . 1 . 2]" 1
712 1 95 LEU H 1 96 VAL HB 1.800 . 5.000 4.504 4.484 4.556 . 0 0 "[ . 1 . 2]" 1
713 1 95 LEU H 1 99 HIS H 1.800 . 6.500 5.854 5.732 6.058 . 0 0 "[ . 1 . 2]" 1
714 1 95 LEU MD2 1 96 VAL MG2 1.800 . 4.600 4.028 3.967 4.060 . 0 0 "[ . 1 . 2]" 1
715 1 92 LEU HA 1 96 VAL H 1.800 . 4.200 4.094 4.071 4.119 . 0 0 "[ . 1 . 2]" 1
716 1 93 SER HA 1 96 VAL H 1.800 . 3.300 3.431 3.421 3.444 0.144 7 0 "[ . 1 . 2]" 1
717 1 94 ALA H 1 96 VAL H 1.800 . 4.600 3.866 3.854 3.888 . 0 0 "[ . 1 . 2]" 1
718 1 94 ALA HA 1 96 VAL H 1.800 . 4.400 4.332 4.306 4.377 . 0 0 "[ . 1 . 2]" 1
719 1 94 ALA MB 1 96 VAL H 1.800 . 5.800 4.343 4.329 4.361 . 0 0 "[ . 1 . 2]" 1
720 1 95 LEU QD 1 96 VAL H 1.800 . 4.600 2.299 2.241 2.442 . 0 0 "[ . 1 . 2]" 1
721 1 96 VAL H 1 96 VAL HB 1.800 . 3.200 2.271 2.252 2.315 . 0 0 "[ . 1 . 2]" 1
722 1 96 VAL H 1 96 VAL MG1 1.800 . 5.600 3.662 3.646 3.696 . 0 0 "[ . 1 . 2]" 1
723 1 96 VAL H 1 96 VAL MG2 1.800 . 4.600 2.761 2.658 2.803 . 0 0 "[ . 1 . 2]" 1
724 1 96 VAL H 1 98 GLN H 1.800 . 4.200 4.006 3.975 4.044 . 0 0 "[ . 1 . 2]" 1
725 1 96 VAL H 1 99 HIS H 1.900 . 5.700 4.576 4.515 4.715 . 0 0 "[ . 1 . 2]" 1
726 1 93 SER HA 1 97 SER H 1.800 . 4.200 3.897 3.869 3.930 . 0 0 "[ . 1 . 2]" 1
727 1 94 ALA HA 1 97 SER H 1.800 . 3.600 3.705 3.696 3.712 0.112 18 0 "[ . 1 . 2]" 1
728 1 95 LEU H 1 97 SER H 1.800 . 4.400 4.199 4.174 4.223 . 0 0 "[ . 1 . 2]" 1
729 1 95 LEU HA 1 97 SER H 1.800 . 4.400 4.446 4.429 4.461 0.061 11 0 "[ . 1 . 2]" 1
730 1 95 LEU QD 1 97 SER H 1.800 . 6.300 4.327 4.299 4.372 . 0 0 "[ . 1 . 2]" 1
731 1 96 VAL HB 1 97 SER H 1.800 . 3.200 2.738 2.694 2.757 . 0 0 "[ . 1 . 2]" 1
732 1 96 VAL MG1 1 97 SER H 1.800 . 4.400 2.985 2.908 3.115 . 0 0 "[ . 1 . 2]" 1
733 1 96 VAL MG2 1 97 SER H 1.800 . 5.600 4.066 4.028 4.080 . 0 0 "[ . 1 . 2]" 1
734 1 97 SER H 1 98 GLN HB3 1.800 . 6.300 5.970 5.812 6.097 . 0 0 "[ . 1 . 2]" 1
735 1 97 SER H 1 99 HIS H 1.800 . 4.200 3.893 3.863 3.987 . 0 0 "[ . 1 . 2]" 1
736 1 95 LEU HA 1 98 GLN H 1.800 . 3.400 3.501 3.483 3.515 0.115 5 0 "[ . 1 . 2]" 1
737 1 96 VAL HB 1 98 GLN H 1.800 . 5.600 5.065 5.022 5.084 . 0 0 "[ . 1 . 2]" 1
738 1 96 VAL MG1 1 98 GLN H 1.800 . 5.300 4.770 4.707 4.858 . 0 0 "[ . 1 . 2]" 1
739 1 97 SER H 1 98 GLN H 1.800 . 3.200 2.540 2.527 2.552 . 0 0 "[ . 1 . 2]" 1
740 1 97 SER HA 1 98 GLN H 1.800 . 3.600 3.528 3.522 3.532 . 0 0 "[ . 1 . 2]" 1
741 1 98 GLN H 1 98 GLN HB3 1.800 . 3.600 3.500 3.380 3.590 . 0 0 "[ . 1 . 2]" 1
742 1 98 GLN H 1 99 HIS H 1.800 . 3.200 2.515 2.482 2.570 . 0 0 "[ . 1 . 2]" 1
743 1 97 SER HA 1 100 SER H 1.800 . 4.600 3.789 3.655 3.890 . 0 0 "[ . 1 . 2]" 1
744 1 98 GLN HA 1 100 SER H 1.800 . 3.600 3.567 3.493 3.651 0.051 14 0 "[ . 1 . 2]" 1
745 1 99 HIS H 1 100 SER H 1.800 . 3.200 2.600 2.514 2.667 . 0 0 "[ . 1 . 2]" 1
746 1 99 HIS HA 1 100 SER H 1.800 . 3.400 3.376 3.297 3.430 0.030 16 0 "[ . 1 . 2]" 1
747 1 99 HIS HB3 1 100 SER H 1.800 . 4.200 3.819 3.595 4.048 . 0 0 "[ . 1 . 2]" 1
748 1 100 SER H 1 100 SER HB3 1.800 . 3.600 2.471 2.288 3.683 0.083 15 0 "[ . 1 . 2]" 1
749 1 100 SER H 1 101 ILE H 1.800 . 3.200 2.410 2.280 2.522 . 0 0 "[ . 1 . 2]" 1
750 1 98 GLN HA 1 101 ILE H 1.800 . 3.600 3.674 3.638 3.728 0.128 18 0 "[ . 1 . 2]" 1
751 1 99 HIS H 1 101 ILE H 1.800 . 4.200 4.186 4.133 4.225 0.025 19 0 "[ . 1 . 2]" 1
752 1 99 HIS HA 1 101 ILE H 1.800 . 3.600 3.534 3.469 3.615 0.015 2 0 "[ . 1 . 2]" 1
753 1 101 ILE H 1 101 ILE HB 1.800 . 3.200 2.754 2.707 2.817 . 0 0 "[ . 1 . 2]" 1
754 1 101 ILE H 1 101 ILE MG 1.800 . 5.000 3.896 3.878 3.924 . 0 0 "[ . 1 . 2]" 1
755 1 101 ILE H 1 101 ILE MD 1.800 . 5.000 3.794 2.334 4.135 . 0 0 "[ . 1 . 2]" 1
756 1 101 ILE H 1 110 LEU H 1.800 . 5.400 4.729 4.564 5.112 . 0 0 "[ . 1 . 2]" 1
757 1 101 ILE MG 1 102 SER HA 1.800 . 6.500 4.004 3.783 4.199 . 0 0 "[ . 1 . 2]" 1
758 1 98 GLN HA 1 101 ILE MD 1.800 . 5.600 3.165 2.385 5.086 . 0 0 "[ . 1 . 2]" 1
759 1 101 ILE HA 1 101 ILE MD 1.800 . 5.600 3.741 1.971 3.881 . 0 0 "[ . 1 . 2]" 1
760 1 101 ILE HB 1 101 ILE MD 1.800 . 3.600 2.296 2.016 3.217 . 0 0 "[ . 1 . 2]" 1
761 1 98 GLN HA 1 102 SER H 1.800 . 4.200 3.923 3.758 4.050 . 0 0 "[ . 1 . 2]" 1
762 1 98 GLN HB3 1 102 SER H 1.800 . 4.400 4.222 4.094 4.395 . 0 0 "[ . 1 . 2]" 1
763 1 99 HIS HA 1 102 SER H 1.800 . 3.400 3.434 3.364 3.476 0.076 10 0 "[ . 1 . 2]" 1
764 1 100 SER H 1 102 SER H 1.800 . 4.600 3.910 3.673 4.062 . 0 0 "[ . 1 . 2]" 1
765 1 101 ILE H 1 102 SER H 1.800 . 3.200 1.891 1.853 1.994 . 0 0 "[ . 1 . 2]" 1
766 1 101 ILE HA 1 102 SER H 1.800 . 3.600 3.527 3.516 3.547 . 0 0 "[ . 1 . 2]" 1
767 1 101 ILE HB 1 102 SER H 1.800 . 3.200 2.663 2.524 2.732 . 0 0 "[ . 1 . 2]" 1
768 1 101 ILE MG 1 102 SER H 1.800 . 5.000 3.576 3.489 3.696 . 0 0 "[ . 1 . 2]" 1
769 1 102 SER H 1 104 ILE MD 1.800 . 6.500 6.180 5.090 6.523 0.023 14 0 "[ . 1 . 2]" 1
770 1 102 SER HA 1 104 ILE H 1.800 . 6.000 5.837 4.833 6.029 0.029 3 0 "[ . 1 . 2]" 1
771 1 103 PRO HA 1 104 ILE H 1.800 . 3.200 2.184 2.154 2.387 . 0 0 "[ . 1 . 2]" 1
772 1 103 PRO HB3 1 104 ILE H 1.800 . 5.000 4.060 3.952 4.532 . 0 0 "[ . 1 . 2]" 1
773 1 104 ILE H 1 104 ILE HB 1.800 . 3.200 2.537 2.487 2.616 . 0 0 "[ . 1 . 2]" 1
774 1 104 ILE H 1 104 ILE MG 1.800 . 5.600 3.798 3.760 3.839 . 0 0 "[ . 1 . 2]" 1
775 1 104 ILE H 1 104 ILE MD 1.800 . 5.600 3.461 1.934 4.039 . 0 0 "[ . 1 . 2]" 1
776 1 104 ILE H 1 105 SER HA 1.800 . 6.000 5.096 4.883 5.350 . 0 0 "[ . 1 . 2]" 1
777 1 104 ILE H 1 106 LEU H 1.800 . 3.600 3.385 2.866 3.621 0.021 14 0 "[ . 1 . 2]" 1
778 1 104 ILE H 1 106 LEU HG 1.800 . 5.600 3.696 2.453 5.453 . 0 0 "[ . 1 . 2]" 1
779 1 80 ILE HB 1 104 ILE MD 1.800 . 6.500 5.794 4.060 6.553 0.053 12 0 "[ . 1 . 2]" 1
780 1 104 ILE HA 1 105 SER H 1.800 . 3.600 3.562 3.555 3.572 . 0 0 "[ . 1 . 2]" 1
781 1 104 ILE MD 1 105 SER H 1.800 . 6.000 4.036 3.411 4.567 . 0 0 "[ . 1 . 2]" 1
782 1 104 ILE MG 1 105 SER H 1.800 . 4.600 2.831 2.588 3.164 . 0 0 "[ . 1 . 2]" 1
783 1 105 SER H 1 106 LEU HG 1.800 . 4.600 3.509 2.722 4.615 0.015 20 0 "[ . 1 . 2]" 1
784 1 104 ILE HB 1 106 LEU H 1.800 . 4.600 4.357 3.947 4.615 0.015 12 0 "[ . 1 . 2]" 1
785 1 105 SER H 1 106 LEU H 1.800 . 3.200 2.722 2.279 3.092 . 0 0 "[ . 1 . 2]" 1
786 1 105 SER HA 1 106 LEU H 1.800 . 3.600 3.101 2.796 3.532 . 0 0 "[ . 1 . 2]" 1
787 1 106 LEU H 1 106 LEU HG 1.800 . 3.200 2.545 1.939 3.218 0.018 13 0 "[ . 1 . 2]" 1
788 1 106 LEU H 1 106 LEU QD 1.800 . 5.600 3.039 1.975 3.622 . 0 0 "[ . 1 . 2]" 1
789 1 106 LEU H 1 108 CYS H 1.800 . 6.000 5.485 5.068 5.886 . 0 0 "[ . 1 . 2]" 1
790 1 45 LEU HG 1 108 CYS H 1.800 . 5.600 5.447 3.565 5.647 0.047 18 0 "[ . 1 . 2]" 1
791 1 45 LEU MD2 1 108 CYS H 1.800 . 4.300 3.581 2.866 4.344 0.044 20 0 "[ . 1 . 2]" 1
792 1 106 LEU HA 1 108 CYS H 1.800 . 4.600 4.346 4.024 4.538 . 0 0 "[ . 1 . 2]" 1
793 1 106 LEU QD 1 108 CYS H 1.800 . 6.300 4.035 3.664 4.368 . 0 0 "[ . 1 . 2]" 1
794 1 107 PRO HA 1 108 CYS H 1.800 . 3.600 3.547 3.475 3.571 . 0 0 "[ . 1 . 2]" 1
795 1 107 PRO HB3 1 108 CYS H 1.800 . 5.000 4.038 3.907 4.266 . 0 0 "[ . 1 . 2]" 1
796 1 108 CYS H 1 108 CYS HB3 1.800 . 3.600 3.333 3.023 3.558 . 0 0 "[ . 1 . 2]" 1
797 1 108 CYS H 1 109 CYS H 1.800 . 5.000 4.216 2.502 4.446 . 0 0 "[ . 1 . 2]" 1
798 1 108 CYS H 1 109 CYS HA 1.800 . 5.600 4.966 4.336 5.196 . 0 0 "[ . 1 . 2]" 1
799 1 108 CYS H 1 110 LEU H 1.800 . 6.300 5.855 5.225 6.304 0.004 2 0 "[ . 1 . 2]" 1
800 1 108 CYS HA 1 109 CYS H 1.800 . 5.000 2.437 2.265 2.594 . 0 0 "[ . 1 . 2]" 1
801 1 99 HIS H 1 110 LEU H 1.800 . 5.600 5.620 5.452 5.712 0.112 11 0 "[ . 1 . 2]" 1
802 1 100 SER HA 1 110 LEU H 1.800 . 3.200 2.276 2.073 2.770 . 0 0 "[ . 1 . 2]" 1
803 1 106 LEU QD 1 110 LEU H 1.800 . 6.000 3.309 2.449 3.646 . 0 0 "[ . 1 . 2]" 1
804 1 109 CYS H 1 110 LEU H 1.800 . 5.000 4.544 4.328 4.633 . 0 0 "[ . 1 . 2]" 1
805 1 109 CYS HA 1 110 LEU H 1.800 . 3.200 2.188 2.141 2.311 . 0 0 "[ . 1 . 2]" 1
806 1 109 CYS HB3 1 110 LEU H 1.800 . 4.600 3.750 2.755 4.256 . 0 0 "[ . 1 . 2]" 1
807 1 110 LEU H 1 110 LEU QD 1.800 . 5.600 3.215 1.864 3.716 . 0 0 "[ . 1 . 2]" 1
808 1 110 LEU H 1 111 ARG H 1.800 . 5.000 4.601 4.453 4.645 . 0 0 "[ . 1 . 2]" 1
809 1 110 LEU H 1 111 ARG HA 1.800 . 6.000 5.472 5.143 5.598 . 0 0 "[ . 1 . 2]" 1
810 1 27 GLY QA 1 111 ARG H 1.800 . 3.600 3.191 2.765 3.546 . 0 0 "[ . 1 . 2]" 1
811 1 29 PHE H 1 111 ARG H 1.800 . 5.600 5.158 4.702 5.614 0.014 13 0 "[ . 1 . 2]" 1
812 1 45 LEU QD 1 111 ARG H 1.800 . 6.000 3.101 2.739 3.718 . 0 0 "[ . 1 . 2]" 1
813 1 110 LEU HA 1 111 ARG H 1.800 . 3.200 2.233 2.149 2.351 . 0 0 "[ . 1 . 2]" 1
814 1 110 LEU QD 1 111 ARG H 1.800 . 5.600 2.822 1.874 4.130 . 0 0 "[ . 1 . 2]" 1
815 1 111 ARG H 1 112 ILE H 1.800 . 4.600 4.437 4.262 4.552 . 0 0 "[ . 1 . 2]" 1
816 1 110 LEU HA 1 112 ILE H 1.800 . 6.000 5.980 5.742 6.116 0.116 11 0 "[ . 1 . 2]" 1
817 1 111 ARG HA 1 112 ILE H 1.800 . 3.200 2.151 2.140 2.175 . 0 0 "[ . 1 . 2]" 1
818 1 112 ILE H 1 112 ILE HB 1.800 . 3.400 2.855 2.223 3.631 0.231 14 0 "[ . 1 . 2]" 1
819 1 112 ILE H 1 112 ILE MG 1.800 . 5.000 3.841 3.286 4.026 . 0 0 "[ . 1 . 2]" 1
820 1 112 ILE H 1 112 ILE MD 1.800 . 5.000 3.416 2.086 4.134 . 0 0 "[ . 1 . 2]" 1
821 1 113 PRO HA 1 114 SER H 1.800 . 3.600 2.694 2.154 3.570 . 0 0 "[ . 1 . 2]" 1
822 1 114 SER H 1 114 SER HB3 1.800 . 3.400 2.955 2.149 3.409 0.009 13 0 "[ . 1 . 2]" 1
823 1 114 SER H 1 115 LYS H 1.800 . 3.400 2.793 2.239 3.404 0.004 13 0 "[ . 1 . 2]" 1
824 1 114 SER HA 1 115 LYS H 1.800 . 3.400 3.013 2.211 3.554 0.154 20 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 66
_Distance_constraint_stats_list.Viol_count 1320
_Distance_constraint_stats_list.Viol_total 1220.663
_Distance_constraint_stats_list.Viol_max 0.262
_Distance_constraint_stats_list.Viol_rms 0.0328
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0462
_Distance_constraint_stats_list.Viol_average_violations_only 0.0462
_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 7 TRP 0.980 0.047 8 0 "[ . 1 . 2]"
1 9 LYS 0.928 0.044 2 0 "[ . 1 . 2]"
1 13 SER 1.655 0.120 16 0 "[ . 1 . 2]"
1 14 ARG 1.463 0.091 13 0 "[ . 1 . 2]"
1 15 ASP 2.080 0.110 13 0 "[ . 1 . 2]"
1 16 GLN 2.317 0.082 11 0 "[ . 1 . 2]"
1 17 ALA 5.242 0.131 9 0 "[ . 1 . 2]"
1 18 ILE 2.912 0.091 13 0 "[ . 1 . 2]"
1 19 ALA 2.080 0.110 13 0 "[ . 1 . 2]"
1 20 LEU 2.317 0.082 11 0 "[ . 1 . 2]"
1 21 LEU 3.587 0.131 9 0 "[ . 1 . 2]"
1 22 LYS 1.449 0.066 16 0 "[ . 1 . 2]"
1 27 GLY 3.909 0.133 13 0 "[ . 1 . 2]"
1 28 ALA 1.460 0.076 13 0 "[ . 1 . 2]"
1 30 LEU 2.999 0.100 20 0 "[ . 1 . 2]"
1 31 ILE 1.908 0.047 8 0 "[ . 1 . 2]"
1 32 ARG 4.007 0.084 13 0 "[ . 1 . 2]"
1 41 TYR 2.060 0.068 11 0 "[ . 1 . 2]"
1 42 GLY 4.007 0.084 13 0 "[ . 1 . 2]"
1 43 LEU 2.479 0.083 8 0 "[ . 1 . 2]"
1 44 ALA 2.999 0.100 20 0 "[ . 1 . 2]"
1 45 LEU 2.533 0.066 15 0 "[ . 1 . 2]"
1 46 LYS 3.386 0.133 13 0 "[ . 1 . 2]"
1 47 VAL 0.594 0.030 17 0 "[ . 1 . 2]"
1 65 LEU 0.594 0.030 17 0 "[ . 1 . 2]"
1 67 ARG 2.533 0.066 15 0 "[ . 1 . 2]"
1 69 PHE 2.479 0.083 8 0 "[ . 1 . 2]"
1 70 LEU 2.461 0.102 18 0 "[ . 1 . 2]"
1 71 ILE 2.060 0.068 11 0 "[ . 1 . 2]"
1 72 GLU 3.083 0.092 9 0 "[ . 1 . 2]"
1 74 GLY 4.476 0.145 12 0 "[ . 1 . 2]"
1 77 GLY 4.476 0.145 12 0 "[ . 1 . 2]"
1 78 VAL 3.980 0.262 14 0 "[ . 1 . 2]"
1 79 LYS 3.083 0.092 9 0 "[ . 1 . 2]"
1 81 LYS 2.461 0.102 18 0 "[ . 1 . 2]"
1 89 PHE 3.980 0.262 14 0 "[ . 1 . 2]"
1 91 SER 2.289 0.107 20 0 "[ . 1 . 2]"
1 92 LEU 3.358 0.109 12 0 "[ . 1 . 2]"
1 93 SER 1.675 0.064 9 0 "[ . 1 . 2]"
1 94 ALA 3.718 0.160 18 0 "[ . 1 . 2]"
1 95 LEU 2.289 0.107 20 0 "[ . 1 . 2]"
1 96 VAL 3.358 0.109 12 0 "[ . 1 . 2]"
1 97 SER 1.675 0.064 9 0 "[ . 1 . 2]"
1 98 GLN 3.718 0.160 18 0 "[ . 1 . 2]"
1 99 HIS 1.497 0.075 18 0 "[ . 1 . 2]"
1 110 LEU 1.497 0.075 18 0 "[ . 1 . 2]"
1 111 ARG 1.982 0.123 9 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 27 GLY H 1 46 LYS O 2.000 . 2.000 2.034 2.019 2.073 0.073 13 0 "[ . 1 . 2]" 2
2 1 27 GLY N 1 46 LYS O 3.000 3.000 3.000 2.938 2.867 2.956 0.133 13 0 "[ . 1 . 2]" 2
3 1 28 ALA O 1 46 LYS H 2.000 . 2.000 2.059 2.044 2.076 0.076 13 0 "[ . 1 . 2]" 2
4 1 28 ALA O 1 46 LYS N 3.000 3.000 3.000 2.994 2.964 3.033 0.036 2 0 "[ . 1 . 2]" 2
5 1 30 LEU H 1 44 ALA O 2.000 . 2.000 2.052 2.028 2.100 0.100 20 0 "[ . 1 . 2]" 2
6 1 30 LEU N 1 44 ALA O 3.000 3.000 3.000 2.936 2.913 3.001 0.087 13 0 "[ . 1 . 2]" 2
7 1 30 LEU O 1 44 ALA H 2.000 . 2.000 2.019 1.989 2.034 0.034 5 0 "[ . 1 . 2]" 2
8 1 30 LEU O 1 44 ALA N 3.000 3.000 3.000 2.988 2.958 3.006 0.042 15 0 "[ . 1 . 2]" 2
9 1 32 ARG H 1 42 GLY O 2.000 . 2.000 2.053 2.035 2.068 0.068 15 0 "[ . 1 . 2]" 2
10 1 32 ARG N 1 42 GLY O 3.000 3.000 3.000 2.947 2.931 2.964 0.069 11 0 "[ . 1 . 2]" 2
11 1 32 ARG O 1 42 GLY H 2.000 . 2.000 2.031 2.017 2.054 0.054 14 0 "[ . 1 . 2]" 2
12 1 32 ARG O 1 42 GLY N 3.000 3.000 3.000 2.937 2.916 2.957 0.084 13 0 "[ . 1 . 2]" 2
13 1 47 VAL H 1 65 LEU O 2.000 . 2.000 2.012 2.005 2.030 0.030 17 0 "[ . 1 . 2]" 2
14 1 47 VAL N 1 65 LEU O 3.000 3.000 3.000 2.982 2.970 2.991 0.030 17 0 "[ . 1 . 2]" 2
15 1 45 LEU H 1 67 ARG O 2.000 . 2.000 2.030 2.016 2.037 0.037 2 0 "[ . 1 . 2]" 2
16 1 45 LEU N 1 67 ARG O 3.000 3.000 3.000 2.952 2.934 2.967 0.066 15 0 "[ . 1 . 2]" 2
17 1 45 LEU O 1 67 ARG H 2.000 . 2.000 2.028 2.009 2.042 0.042 10 0 "[ . 1 . 2]" 2
18 1 45 LEU O 1 67 ARG N 3.000 3.000 3.000 2.979 2.969 2.993 0.031 18 0 "[ . 1 . 2]" 2
19 1 43 LEU H 1 69 PHE O 2.000 . 2.000 1.997 1.981 2.015 0.019 19 0 "[ . 1 . 2]" 2
20 1 43 LEU N 1 69 PHE O 3.000 3.000 3.000 2.947 2.917 2.973 0.083 8 0 "[ . 1 . 2]" 2
21 1 43 LEU O 1 69 PHE H 2.000 . 2.000 2.016 1.999 2.027 0.027 16 0 "[ . 1 . 2]" 2
22 1 43 LEU O 1 69 PHE N 3.000 3.000 3.000 2.953 2.922 2.975 0.078 13 0 "[ . 1 . 2]" 2
23 1 41 TYR H 1 71 ILE O 2.000 . 2.000 2.045 2.021 2.068 0.068 11 0 "[ . 1 . 2]" 2
24 1 41 TYR N 1 71 ILE O 3.000 3.000 3.000 2.979 2.959 2.992 0.041 12 0 "[ . 1 . 2]" 2
25 1 41 TYR O 1 71 ILE H 2.000 . 2.000 1.994 1.977 2.006 0.023 11 0 "[ . 1 . 2]" 2
26 1 41 TYR O 1 71 ILE N 3.000 3.000 3.000 2.971 2.955 2.982 0.045 11 0 "[ . 1 . 2]" 2
27 1 18 ILE O 1 22 LYS H 2.000 . 2.000 2.021 2.001 2.048 0.048 13 0 "[ . 1 . 2]" 2
28 1 18 ILE O 1 22 LYS N 3.000 3.000 3.000 2.949 2.934 2.968 0.066 16 0 "[ . 1 . 2]" 2
29 1 17 ALA O 1 21 LEU H 2.000 . 2.000 2.122 2.100 2.131 0.131 9 0 "[ . 1 . 2]" 2
30 1 17 ALA O 1 21 LEU N 3.000 3.000 3.000 2.943 2.917 2.954 0.083 13 0 "[ . 1 . 2]" 2
31 1 16 GLN O 1 20 LEU H 2.000 . 2.000 2.075 2.067 2.082 0.082 11 0 "[ . 1 . 2]" 2
32 1 16 GLN O 1 20 LEU N 3.000 3.000 3.000 2.959 2.949 2.967 0.051 20 0 "[ . 1 . 2]" 2
33 1 15 ASP O 1 19 ALA H 2.000 . 2.000 2.085 2.078 2.110 0.110 13 0 "[ . 1 . 2]" 2
34 1 15 ASP O 1 19 ALA N 3.000 3.000 3.000 3.019 3.010 3.052 0.052 13 0 "[ . 1 . 2]" 2
35 1 14 ARG O 1 18 ILE H 2.000 . 2.000 2.053 2.043 2.091 0.091 13 0 "[ . 1 . 2]" 2
36 1 14 ARG O 1 18 ILE N 3.000 3.000 3.000 2.982 2.972 3.015 0.028 14 0 "[ . 1 . 2]" 2
37 1 13 SER O 1 17 ALA H 2.000 . 2.000 2.066 2.049 2.120 0.120 16 0 "[ . 1 . 2]" 2
38 1 13 SER O 1 17 ALA N 3.000 3.000 3.000 2.985 2.970 3.018 0.030 20 0 "[ . 1 . 2]" 2
39 1 94 ALA O 1 98 GLN H 2.000 . 2.000 2.137 2.118 2.160 0.160 18 0 "[ . 1 . 2]" 2
40 1 94 ALA O 1 98 GLN N 3.000 3.000 3.000 3.049 3.030 3.073 0.073 18 0 "[ . 1 . 2]" 2
41 1 93 SER O 1 97 SER H 2.000 . 2.000 2.038 2.026 2.059 0.059 18 0 "[ . 1 . 2]" 2
42 1 93 SER O 1 97 SER N 3.000 3.000 3.000 2.954 2.936 2.976 0.064 9 0 "[ . 1 . 2]" 2
43 1 92 LEU O 1 96 VAL H 2.000 . 2.000 2.096 2.073 2.109 0.109 12 0 "[ . 1 . 2]" 2
44 1 92 LEU O 1 96 VAL N 3.000 3.000 3.000 2.928 2.916 2.945 0.084 13 0 "[ . 1 . 2]" 2
45 1 91 SER O 1 95 LEU H 2.000 . 2.000 2.082 2.043 2.107 0.107 20 0 "[ . 1 . 2]" 2
46 1 91 SER O 1 95 LEU N 3.000 3.000 3.000 3.032 2.995 3.057 0.057 20 0 "[ . 1 . 2]" 2
47 1 74 GLY O 1 77 GLY H 2.000 . 2.000 2.141 2.136 2.145 0.145 12 0 "[ . 1 . 2]" 2
48 1 74 GLY O 1 77 GLY N 3.000 3.000 3.000 3.083 3.079 3.087 0.087 12 0 "[ . 1 . 2]" 2
49 1 72 GLU O 1 79 LYS H 2.000 . 2.000 2.056 2.021 2.092 0.092 9 0 "[ . 1 . 2]" 2
50 1 72 GLU O 1 79 LYS N 3.000 3.000 3.000 2.978 2.957 2.998 0.043 20 0 "[ . 1 . 2]" 2
51 1 72 GLU H 1 79 LYS O 2.000 . 2.000 2.034 2.011 2.053 0.053 18 0 "[ . 1 . 2]" 2
52 1 72 GLU N 1 79 LYS O 3.000 3.000 3.000 2.959 2.932 3.010 0.068 17 0 "[ . 1 . 2]" 2
53 1 70 LEU O 1 81 LYS H 2.000 . 2.000 2.055 2.014 2.088 0.088 14 0 "[ . 1 . 2]" 2
54 1 70 LEU O 1 81 LYS N 3.000 3.000 3.000 2.932 2.898 2.985 0.102 18 0 "[ . 1 . 2]" 2
55 1 78 VAL H 1 89 PHE O 2.000 . 2.000 2.039 2.005 2.073 0.073 13 0 "[ . 1 . 2]" 2
56 1 78 VAL N 1 89 PHE O 3.000 3.000 3.000 2.993 2.938 3.023 0.062 14 0 "[ . 1 . 2]" 2
57 1 78 VAL O 1 89 PHE H 2.000 . 2.000 2.017 1.995 2.074 0.074 8 0 "[ . 1 . 2]" 2
58 1 78 VAL O 1 89 PHE N 3.000 3.000 3.000 2.872 2.738 2.928 0.262 14 0 "[ . 1 . 2]" 2
59 1 9 LYS H 1 31 ILE O 2.000 . 2.000 2.031 2.020 2.044 0.044 2 0 "[ . 1 . 2]" 2
60 1 9 LYS N 1 31 ILE O 3.000 3.000 3.000 2.985 2.972 2.999 0.028 8 0 "[ . 1 . 2]" 2
61 1 7 TRP O 1 31 ILE H 2.000 . 2.000 2.034 2.019 2.047 0.047 8 0 "[ . 1 . 2]" 2
62 1 7 TRP O 1 31 ILE N 3.000 3.000 3.000 2.985 2.968 3.002 0.032 16 0 "[ . 1 . 2]" 2
63 1 27 GLY O 1 111 ARG H 2.000 . 2.000 2.065 2.028 2.123 0.123 9 0 "[ . 1 . 2]" 2
64 1 27 GLY O 1 111 ARG N 3.000 3.000 3.000 2.966 2.935 2.994 0.065 9 0 "[ . 1 . 2]" 2
65 1 99 HIS O 1 110 LEU H 2.000 . 2.000 2.045 2.027 2.075 0.075 18 0 "[ . 1 . 2]" 2
66 1 99 HIS O 1 110 LEU N 3.000 3.000 3.000 2.971 2.949 2.992 0.051 16 0 "[ . 1 . 2]" 2
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