NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
557212 |
2lyb   |
18716 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lyb
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 816
_Distance_constraint_stats_list.Viol_count 581
_Distance_constraint_stats_list.Viol_total 149.832
_Distance_constraint_stats_list.Viol_max 1.844
_Distance_constraint_stats_list.Viol_rms 0.0238
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0129
_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 6 VAL 0.006 0.001 20 0 "[ . 1 . 2]"
1 7 LEU 0.022 0.016 18 0 "[ . 1 . 2]"
1 8 SER 0.020 0.007 18 0 "[ . 1 . 2]"
1 9 GLY 0.128 0.035 18 0 "[ . 1 . 2]"
1 10 GLY 0.063 0.032 18 0 "[ . 1 . 2]"
1 11 GLU 0.028 0.007 18 0 "[ . 1 . 2]"
1 12 LEU 0.087 0.035 18 0 "[ . 1 . 2]"
1 13 ASP 0.004 0.001 18 0 "[ . 1 . 2]"
1 14 LYS 0.002 0.001 10 0 "[ . 1 . 2]"
1 15 TRP 0.029 0.002 2 0 "[ . 1 . 2]"
1 16 GLU 0.015 0.002 2 0 "[ . 1 . 2]"
1 17 LYS 0.011 0.002 16 0 "[ . 1 . 2]"
1 18 ILE 0.010 0.002 16 0 "[ . 1 . 2]"
1 19 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LEU 0.004 0.001 19 0 "[ . 1 . 2]"
1 21 ARG 0.001 0.001 3 0 "[ . 1 . 2]"
1 22 PRO 0.001 0.000 11 0 "[ . 1 . 2]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LYS 0.001 0.001 14 0 "[ . 1 . 2]"
1 26 LYS 0.001 0.000 2 0 "[ . 1 . 2]"
1 27 GLN 0.004 0.001 2 0 "[ . 1 . 2]"
1 28 TYR 0.033 0.002 18 0 "[ . 1 . 2]"
1 29 LYS 0.016 0.004 18 0 "[ . 1 . 2]"
1 30 LEU 0.017 0.002 14 0 "[ . 1 . 2]"
1 31 LYS 0.006 0.001 7 0 "[ . 1 . 2]"
1 32 HIS 0.011 0.004 18 0 "[ . 1 . 2]"
1 33 ILE 0.018 0.002 14 0 "[ . 1 . 2]"
1 34 VAL 0.008 0.001 7 0 "[ . 1 . 2]"
1 35 TRP 0.008 0.001 11 0 "[ . 1 . 2]"
1 36 ALA 0.004 0.001 14 0 "[ . 1 . 2]"
1 37 SER 0.006 0.001 17 0 "[ . 1 . 2]"
1 38 ARG 0.008 0.001 11 0 "[ . 1 . 2]"
1 39 GLU 0.018 0.003 19 0 "[ . 1 . 2]"
1 40 LEU 0.016 0.002 20 0 "[ . 1 . 2]"
1 41 GLU 0.032 0.003 11 0 "[ . 1 . 2]"
1 42 ARG 0.014 0.003 19 0 "[ . 1 . 2]"
1 43 PHE 0.014 0.002 20 0 "[ . 1 . 2]"
1 44 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 VAL 0.163 0.007 17 0 "[ . 1 . 2]"
1 46 ASN 0.006 0.002 19 0 "[ . 1 . 2]"
1 47 PRO 0.030 0.003 11 0 "[ . 1 . 2]"
1 48 GLY 0.006 0.002 16 0 "[ . 1 . 2]"
1 49 LEU 0.087 0.007 17 0 "[ . 1 . 2]"
1 50 LEU 0.013 0.001 5 0 "[ . 1 . 2]"
1 51 GLU 0.114 0.011 16 0 "[ . 1 . 2]"
1 52 THR 0.189 0.011 16 0 "[ . 1 . 2]"
1 53 SER 0.008 0.001 13 0 "[ . 1 . 2]"
1 54 GLU 0.052 0.005 12 0 "[ . 1 . 2]"
1 55 GLY 0.009 0.003 12 0 "[ . 1 . 2]"
1 56 CYS 0.001 0.001 18 0 "[ . 1 . 2]"
1 57 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ILE 0.004 0.001 19 0 "[ . 1 . 2]"
1 60 LEU 0.001 0.001 19 0 "[ . 1 . 2]"
1 61 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLN 0.001 0.000 8 0 "[ . 1 . 2]"
1 63 LEU 0.000 0.000 20 0 "[ . 1 . 2]"
1 64 GLN 0.000 0.000 16 0 "[ . 1 . 2]"
1 65 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 LEU 0.004 0.001 20 0 "[ . 1 . 2]"
1 68 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 SER 0.010 0.004 12 0 "[ . 1 . 2]"
1 72 GLU 0.008 0.003 12 0 "[ . 1 . 2]"
1 73 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 LEU 0.002 0.001 12 0 "[ . 1 . 2]"
1 75 ARG 0.004 0.003 12 0 "[ . 1 . 2]"
1 76 SER 0.000 0.000 19 0 "[ . 1 . 2]"
1 77 LEU 0.008 0.001 11 0 "[ . 1 . 2]"
1 78 TYR 0.009 0.001 11 0 "[ . 1 . 2]"
1 79 ASN 0.000 0.000 19 0 "[ . 1 . 2]"
1 80 THR 0.003 0.001 18 0 "[ . 1 . 2]"
1 81 ILE 0.002 0.001 11 0 "[ . 1 . 2]"
1 82 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 VAL 0.012 0.001 2 0 "[ . 1 . 2]"
1 84 LEU 0.001 0.000 12 0 "[ . 1 . 2]"
1 85 TYR 0.004 0.001 15 0 "[ . 1 . 2]"
1 86 CYS 0.002 0.001 18 0 "[ . 1 . 2]"
1 87 VAL 0.002 0.002 18 0 "[ . 1 . 2]"
1 88 HIS 0.026 0.004 18 0 "[ . 1 . 2]"
1 89 GLN 0.001 0.001 20 0 "[ . 1 . 2]"
1 90 ARG 0.005 0.004 18 0 "[ . 1 . 2]"
1 91 ILE 0.004 0.004 18 0 "[ . 1 . 2]"
1 92 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 VAL 0.001 0.001 18 0 "[ . 1 . 2]"
1 94 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ASP 5.888 1.844 9 2 "[- . +1 . 2]"
1 96 THR 0.005 0.001 7 0 "[ . 1 . 2]"
1 97 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 GLU 5.886 1.844 9 2 "[- . +1 . 2]"
1 99 ALA 0.001 0.001 2 0 "[ . 1 . 2]"
1 100 LEU 0.008 0.008 16 0 "[ . 1 . 2]"
1 101 ASP 0.006 0.004 16 0 "[ . 1 . 2]"
1 102 LYS 0.002 0.002 16 0 "[ . 1 . 2]"
1 103 ILE 0.008 0.008 16 0 "[ . 1 . 2]"
1 104 GLU 0.006 0.004 16 0 "[ . 1 . 2]"
1 105 GLU 0.002 0.002 16 0 "[ . 1 . 2]"
1 106 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 GLN 0.101 0.047 20 0 "[ . 1 . 2]"
1 116 GLN 0.683 0.255 20 0 "[ . 1 . 2]"
1 117 ALA 0.000 0.000 7 0 "[ . 1 . 2]"
1 118 ALA 0.101 0.047 20 0 "[ . 1 . 2]"
1 119 ALA 0.683 0.255 20 0 "[ . 1 . 2]"
1 120 ASP 0.000 0.000 7 0 "[ . 1 . 2]"
1 121 THR 0.000 0.000 7 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 VAL H 1 6 VAL HB . . 2.700 2.581 2.505 2.665 . 0 0 "[ . 1 . 2]" 1
2 1 6 VAL H 1 7 LEU H . . 2.700 2.636 2.466 2.701 0.001 3 0 "[ . 1 . 2]" 1
3 1 6 VAL HA 1 51 GLU HA . . 2.700 2.681 2.513 2.701 0.001 20 0 "[ . 1 . 2]" 1
4 1 6 VAL HB 1 7 LEU H . . 2.700 2.121 1.951 2.463 . 0 0 "[ . 1 . 2]" 1
5 1 6 VAL HB 1 33 ILE MD . . 5.000 3.346 3.042 3.832 . 0 0 "[ . 1 . 2]" 1
6 1 6 VAL HB 1 33 ILE MG . . 3.300 2.782 2.381 3.301 0.001 19 0 "[ . 1 . 2]" 1
7 1 6 VAL MG1 1 33 ILE MG . . 3.300 2.379 1.926 2.867 . 0 0 "[ . 1 . 2]" 1
8 1 6 VAL MG1 1 50 LEU MD1 . . 5.000 3.533 3.293 3.903 . 0 0 "[ . 1 . 2]" 1
9 1 6 VAL MG1 1 84 LEU MD1 . . 5.000 2.338 2.042 3.278 . 0 0 "[ . 1 . 2]" 1
10 1 6 VAL MG1 1 84 LEU MD2 . . 3.300 2.014 1.813 2.369 . 0 0 "[ . 1 . 2]" 1
11 1 6 VAL MG1 1 88 HIS HE1 . . 3.300 3.244 2.940 3.300 0.000 11 0 "[ . 1 . 2]" 1
12 1 6 VAL MG2 1 33 ILE MG . . 3.300 2.409 2.067 2.849 . 0 0 "[ . 1 . 2]" 1
13 1 6 VAL MG2 1 50 LEU MD1 . . 5.000 3.376 2.862 3.774 . 0 0 "[ . 1 . 2]" 1
14 1 7 LEU H 1 7 LEU HG . . 3.300 2.906 2.600 3.153 . 0 0 "[ . 1 . 2]" 1
15 1 7 LEU H 1 33 ILE MD . . 5.000 3.867 3.439 4.253 . 0 0 "[ . 1 . 2]" 1
16 1 7 LEU H 1 88 HIS HE1 . . 5.000 4.908 4.658 5.000 . 0 0 "[ . 1 . 2]" 1
17 1 7 LEU HA 1 7 LEU MD2 . . 2.700 2.048 1.954 2.221 . 0 0 "[ . 1 . 2]" 1
18 1 7 LEU HA 1 8 SER H . . 2.700 2.150 2.139 2.201 . 0 0 "[ . 1 . 2]" 1
19 1 7 LEU QB 1 12 LEU QD . . 5.000 2.715 2.292 3.828 . 0 0 "[ . 1 . 2]" 1
20 1 7 LEU HB3 1 12 LEU H . . 3.300 3.249 2.979 3.302 0.002 11 0 "[ . 1 . 2]" 1
21 1 7 LEU MD1 1 11 GLU QB . . 5.000 3.180 2.981 3.311 . 0 0 "[ . 1 . 2]" 1
22 1 7 LEU MD1 1 12 LEU H . . 5.000 4.343 4.078 4.487 . 0 0 "[ . 1 . 2]" 1
23 1 7 LEU MD1 1 12 LEU HA . . 2.700 2.697 2.671 2.716 0.016 18 0 "[ . 1 . 2]" 1
24 1 7 LEU MD1 1 15 TRP H . . 5.000 3.854 3.770 4.063 . 0 0 "[ . 1 . 2]" 1
25 1 7 LEU MD1 1 15 TRP HB2 . . 2.700 1.945 1.915 2.172 . 0 0 "[ . 1 . 2]" 1
26 1 7 LEU MD1 1 15 TRP HB3 . . 2.700 2.619 2.536 2.701 0.001 12 0 "[ . 1 . 2]" 1
27 1 7 LEU MD1 1 15 TRP HD1 . . 5.000 3.605 3.462 3.786 . 0 0 "[ . 1 . 2]" 1
28 1 7 LEU MD1 1 33 ILE MD . . 3.300 1.934 1.844 2.034 . 0 0 "[ . 1 . 2]" 1
29 1 7 LEU MD2 1 8 SER H . . 5.000 3.427 2.992 3.766 . 0 0 "[ . 1 . 2]" 1
30 1 7 LEU MD2 1 11 GLU QB . . 5.000 1.939 1.830 2.194 . 0 0 "[ . 1 . 2]" 1
31 1 7 LEU MD2 1 84 LEU MD1 . . 5.000 2.699 1.817 4.276 . 0 0 "[ . 1 . 2]" 1
32 1 7 LEU MD2 1 84 LEU MD2 . . 5.000 3.191 2.402 3.684 . 0 0 "[ . 1 . 2]" 1
33 1 7 LEU MD2 1 87 VAL MG1 . . 5.000 2.343 1.886 2.957 . 0 0 "[ . 1 . 2]" 1
34 1 7 LEU MD2 1 88 HIS HE1 . . 2.700 2.036 1.886 2.457 . 0 0 "[ . 1 . 2]" 1
35 1 7 LEU HG 1 33 ILE MD . . 3.300 2.795 2.405 3.300 . 0 0 "[ . 1 . 2]" 1
36 1 7 LEU HG 1 88 HIS HE1 . . 5.000 3.947 3.504 4.349 . 0 0 "[ . 1 . 2]" 1
37 1 8 SER H 1 8 SER HB3 . . 3.300 2.295 2.213 2.443 . 0 0 "[ . 1 . 2]" 1
38 1 8 SER H 1 11 GLU H . . 5.000 3.685 3.556 3.777 . 0 0 "[ . 1 . 2]" 1
39 1 8 SER H 1 11 GLU HB2 . . 2.700 2.429 2.232 2.605 . 0 0 "[ . 1 . 2]" 1
40 1 8 SER H 1 11 GLU HG3 . . 2.700 2.698 2.677 2.706 0.006 18 0 "[ . 1 . 2]" 1
41 1 8 SER H 1 11 GLU OE1 . . 2.000 1.990 1.935 2.007 0.007 18 0 "[ . 1 . 2]" 1
42 1 8 SER H 1 12 LEU H . . 5.000 4.277 4.119 4.436 . 0 0 "[ . 1 . 2]" 1
43 1 8 SER H 1 88 HIS HE1 . . 5.000 4.337 3.981 4.637 . 0 0 "[ . 1 . 2]" 1
44 1 8 SER HA 1 8 SER HB2 . . 2.700 2.318 2.288 2.379 . 0 0 "[ . 1 . 2]" 1
45 1 8 SER HA 1 8 SER HB3 . . 2.700 2.634 2.547 2.684 . 0 0 "[ . 1 . 2]" 1
46 1 8 SER HA 1 9 GLY H . . 2.700 2.679 2.602 2.701 0.001 19 0 "[ . 1 . 2]" 1
47 1 8 SER HA 1 12 LEU H . . 5.000 4.857 4.747 4.923 . 0 0 "[ . 1 . 2]" 1
48 1 8 SER HB2 1 9 GLY H . . 3.300 2.255 2.067 2.391 . 0 0 "[ . 1 . 2]" 1
49 1 8 SER HB2 1 11 GLU H . . 5.000 4.575 4.483 4.705 . 0 0 "[ . 1 . 2]" 1
50 1 8 SER HB3 1 11 GLU H . . 5.000 4.281 4.175 4.490 . 0 0 "[ . 1 . 2]" 1
51 1 8 SER N 1 11 GLU OE1 . . 3.000 2.959 2.887 2.978 . 0 0 "[ . 1 . 2]" 1
52 1 9 GLY H 1 10 GLY H . . 2.900 2.881 2.830 2.919 0.019 18 0 "[ . 1 . 2]" 1
53 1 9 GLY H 1 11 GLU H . . 5.000 4.292 4.140 4.497 . 0 0 "[ . 1 . 2]" 1
54 1 9 GLY H 1 12 LEU HB2 . . 5.500 4.936 4.779 4.983 . 0 0 "[ . 1 . 2]" 1
55 1 9 GLY H 1 12 LEU HB3 . . 5.500 5.499 5.468 5.535 0.035 18 0 "[ . 1 . 2]" 1
56 1 9 GLY H 1 12 LEU QD . . 5.500 5.075 4.974 5.520 0.020 18 0 "[ . 1 . 2]" 1
57 1 9 GLY HA2 1 12 LEU H . . 5.000 3.726 3.631 3.799 . 0 0 "[ . 1 . 2]" 1
58 1 9 GLY HA2 1 12 LEU HB2 . . 3.300 3.293 3.210 3.301 0.001 7 0 "[ . 1 . 2]" 1
59 1 9 GLY HA2 1 12 LEU HB3 . . 3.300 3.177 3.110 3.219 . 0 0 "[ . 1 . 2]" 1
60 1 9 GLY HA2 1 13 ASP H . . 5.000 4.423 4.250 4.558 . 0 0 "[ . 1 . 2]" 1
61 1 9 GLY HA3 1 10 GLY H . . 2.700 2.699 2.673 2.732 0.032 18 0 "[ . 1 . 2]" 1
62 1 10 GLY H 1 11 GLU H . . 2.900 2.708 2.679 2.790 . 0 0 "[ . 1 . 2]" 1
63 1 10 GLY H 1 12 LEU H . . 5.000 4.036 3.936 4.221 . 0 0 "[ . 1 . 2]" 1
64 1 10 GLY HA2 1 13 ASP H . . 5.000 3.680 3.498 3.835 . 0 0 "[ . 1 . 2]" 1
65 1 10 GLY HA2 1 13 ASP QB . . 3.300 3.123 2.865 3.300 . 0 0 "[ . 1 . 2]" 1
66 1 11 GLU H 1 11 GLU HB2 . . 2.700 2.690 2.665 2.702 0.002 18 0 "[ . 1 . 2]" 1
67 1 11 GLU H 1 11 GLU HG3 . . 2.700 1.968 1.931 2.005 . 0 0 "[ . 1 . 2]" 1
68 1 11 GLU H 1 12 LEU H . . 2.900 2.622 2.540 2.721 . 0 0 "[ . 1 . 2]" 1
69 1 11 GLU H 1 13 ASP H . . 5.000 4.441 4.139 4.650 . 0 0 "[ . 1 . 2]" 1
70 1 11 GLU HA 1 13 ASP H . . 5.000 4.567 4.072 4.815 . 0 0 "[ . 1 . 2]" 1
71 1 11 GLU HA 1 14 LYS H . . 5.000 3.669 3.516 3.763 . 0 0 "[ . 1 . 2]" 1
72 1 11 GLU HA 1 14 LYS QB . . 3.300 2.969 2.668 3.243 . 0 0 "[ . 1 . 2]" 1
73 1 11 GLU HA 1 15 TRP H . . 5.000 3.971 3.851 4.105 . 0 0 "[ . 1 . 2]" 1
74 1 11 GLU HA 1 87 VAL MG1 . . 3.300 2.630 2.182 2.917 . 0 0 "[ . 1 . 2]" 1
75 1 11 GLU OE2 1 88 HIS HD1 . . 2.000 1.996 1.937 2.002 0.002 18 0 "[ . 1 . 2]" 1
76 1 11 GLU OE2 1 88 HIS ND1 . . 3.000 2.835 2.799 2.874 . 0 0 "[ . 1 . 2]" 1
77 1 12 LEU H 1 13 ASP H . . 2.900 2.750 2.601 2.858 . 0 0 "[ . 1 . 2]" 1
78 1 12 LEU H 1 14 LYS H . . 5.000 4.347 4.132 4.769 . 0 0 "[ . 1 . 2]" 1
79 1 12 LEU H 1 15 TRP H . . 5.000 4.602 4.484 4.767 . 0 0 "[ . 1 . 2]" 1
80 1 12 LEU HA 1 14 LYS H . . 5.000 4.639 4.325 4.887 . 0 0 "[ . 1 . 2]" 1
81 1 12 LEU HA 1 15 TRP H . . 5.000 3.471 3.342 3.583 . 0 0 "[ . 1 . 2]" 1
82 1 12 LEU HA 1 15 TRP HB2 . . 3.300 3.275 3.201 3.301 0.001 8 0 "[ . 1 . 2]" 1
83 1 12 LEU HA 1 15 TRP HB3 . . 2.700 2.416 2.229 2.570 . 0 0 "[ . 1 . 2]" 1
84 1 12 LEU HA 1 15 TRP HD1 . . 5.000 4.157 3.850 4.357 . 0 0 "[ . 1 . 2]" 1
85 1 12 LEU HA 1 16 GLU H . . 5.000 3.975 3.732 4.393 . 0 0 "[ . 1 . 2]" 1
86 1 12 LEU QD 1 15 TRP HD1 . . 3.300 3.120 2.663 3.300 0.000 13 0 "[ . 1 . 2]" 1
87 1 12 LEU QD 1 16 GLU H . . 5.000 3.993 3.071 4.477 . 0 0 "[ . 1 . 2]" 1
88 1 12 LEU QD 1 33 ILE MD . . 5.000 3.331 2.905 4.036 . 0 0 "[ . 1 . 2]" 1
89 1 12 LEU HG 1 13 ASP H . . 5.000 4.082 3.772 5.000 0.000 12 0 "[ . 1 . 2]" 1
90 1 13 ASP H 1 14 LYS H . . 2.900 2.880 2.789 2.901 0.001 10 0 "[ . 1 . 2]" 1
91 1 13 ASP H 1 15 TRP H . . 5.000 4.125 3.976 4.221 . 0 0 "[ . 1 . 2]" 1
92 1 13 ASP H 1 16 GLU H . . 5.000 4.936 4.840 5.001 0.001 14 0 "[ . 1 . 2]" 1
93 1 13 ASP HA 1 15 TRP H . . 5.000 4.539 4.432 4.663 . 0 0 "[ . 1 . 2]" 1
94 1 13 ASP HA 1 16 GLU H . . 5.000 3.891 3.713 3.995 . 0 0 "[ . 1 . 2]" 1
95 1 13 ASP HA 1 16 GLU QB . . 3.300 3.261 3.224 3.301 0.001 18 0 "[ . 1 . 2]" 1
96 1 14 LYS H 1 15 TRP H . . 2.900 2.638 2.557 2.678 . 0 0 "[ . 1 . 2]" 1
97 1 14 LYS H 1 16 GLU H . . 5.000 4.436 4.134 4.616 . 0 0 "[ . 1 . 2]" 1
98 1 14 LYS HA 1 16 GLU H . . 5.000 4.581 4.161 4.869 . 0 0 "[ . 1 . 2]" 1
99 1 14 LYS HA 1 17 LYS H . . 5.000 3.364 3.238 3.508 . 0 0 "[ . 1 . 2]" 1
100 1 15 TRP H 1 16 GLU H . . 2.900 2.875 2.763 2.902 0.002 2 0 "[ . 1 . 2]" 1
101 1 15 TRP H 1 87 VAL MG1 . . 5.000 4.187 3.628 4.555 . 0 0 "[ . 1 . 2]" 1
102 1 15 TRP H 1 87 VAL MG2 . . 5.000 4.210 3.923 4.465 . 0 0 "[ . 1 . 2]" 1
103 1 15 TRP HA 1 15 TRP HE3 . . 3.300 2.856 2.733 3.017 . 0 0 "[ . 1 . 2]" 1
104 1 15 TRP HA 1 17 LYS H . . 5.000 3.997 3.874 4.062 . 0 0 "[ . 1 . 2]" 1
105 1 15 TRP HA 1 18 ILE H . . 5.000 3.664 3.473 4.553 . 0 0 "[ . 1 . 2]" 1
106 1 15 TRP HA 1 18 ILE MD . . 3.300 1.929 1.882 2.239 . 0 0 "[ . 1 . 2]" 1
107 1 15 TRP HA 1 87 VAL MG1 . . 5.000 4.649 3.938 5.000 . 0 0 "[ . 1 . 2]" 1
108 1 15 TRP HA 1 87 VAL MG2 . . 5.000 3.551 3.064 3.847 . 0 0 "[ . 1 . 2]" 1
109 1 15 TRP HB2 1 15 TRP HE3 . . 3.300 2.675 2.611 2.726 . 0 0 "[ . 1 . 2]" 1
110 1 15 TRP HB3 1 15 TRP HD1 . . 3.300 2.610 2.588 2.641 . 0 0 "[ . 1 . 2]" 1
111 1 15 TRP HB3 1 16 GLU H . . 2.700 2.421 2.251 2.701 0.001 13 0 "[ . 1 . 2]" 1
112 1 15 TRP HD1 1 16 GLU HA . . 5.000 3.292 3.152 3.618 . 0 0 "[ . 1 . 2]" 1
113 1 15 TRP HD1 1 16 GLU HG2 . . 3.300 3.156 2.952 3.301 0.001 18 0 "[ . 1 . 2]" 1
114 1 15 TRP HD1 1 16 GLU HG3 . . 3.300 3.150 2.800 3.301 0.001 18 0 "[ . 1 . 2]" 1
115 1 15 TRP HD1 1 29 LYS H . . 5.000 4.780 4.669 4.897 . 0 0 "[ . 1 . 2]" 1
116 1 15 TRP HD1 1 29 LYS HA . . 3.300 3.298 3.283 3.301 0.001 18 0 "[ . 1 . 2]" 1
117 1 15 TRP HD1 1 33 ILE MD . . 5.000 3.276 2.883 3.510 . 0 0 "[ . 1 . 2]" 1
118 1 15 TRP HE1 1 29 LYS H . . 5.000 3.007 2.935 3.080 . 0 0 "[ . 1 . 2]" 1
119 1 15 TRP HE1 1 29 LYS HA . . 5.000 2.958 2.768 3.225 . 0 0 "[ . 1 . 2]" 1
120 1 15 TRP HE1 1 30 LEU H . . 5.000 3.736 3.615 3.885 . 0 0 "[ . 1 . 2]" 1
121 1 15 TRP HE1 1 30 LEU HA . . 3.300 3.298 3.287 3.301 0.001 18 0 "[ . 1 . 2]" 1
122 1 15 TRP HE1 1 33 ILE H . . 5.000 3.937 3.458 4.191 . 0 0 "[ . 1 . 2]" 1
123 1 15 TRP HE1 1 33 ILE MD . . 3.300 2.738 2.626 2.845 . 0 0 "[ . 1 . 2]" 1
124 1 15 TRP HE1 1 33 ILE HG12 . . 5.000 3.980 3.687 4.285 . 0 0 "[ . 1 . 2]" 1
125 1 15 TRP HE1 1 33 ILE HG13 . . 3.300 2.789 2.447 3.033 . 0 0 "[ . 1 . 2]" 1
126 1 15 TRP HE3 1 18 ILE MD . . 5.000 2.994 2.693 3.165 . 0 0 "[ . 1 . 2]" 1
127 1 15 TRP HE3 1 84 LEU HA . . 5.000 3.193 3.031 3.605 . 0 0 "[ . 1 . 2]" 1
128 1 15 TRP HE3 1 87 VAL MG1 . . 5.000 4.182 3.546 4.649 . 0 0 "[ . 1 . 2]" 1
129 1 15 TRP HE3 1 87 VAL MG2 . . 3.300 2.645 2.309 2.960 . 0 0 "[ . 1 . 2]" 1
130 1 15 TRP HH2 1 80 THR HA . . 5.000 3.334 2.649 3.798 . 0 0 "[ . 1 . 2]" 1
131 1 15 TRP HH2 1 80 THR MG . . 2.700 1.919 1.882 2.032 . 0 0 "[ . 1 . 2]" 1
132 1 15 TRP HZ2 1 33 ILE H . . 3.300 3.298 3.278 3.301 0.001 7 0 "[ . 1 . 2]" 1
133 1 15 TRP HZ2 1 33 ILE MD . . 5.000 3.513 3.330 3.786 . 0 0 "[ . 1 . 2]" 1
134 1 15 TRP HZ3 1 83 VAL HB . . 2.700 2.613 2.086 2.701 0.001 2 0 "[ . 1 . 2]" 1
135 1 15 TRP HZ3 1 83 VAL MG1 . . 2.700 2.568 2.361 2.694 . 0 0 "[ . 1 . 2]" 1
136 1 15 TRP HZ3 1 84 LEU HA . . 3.300 2.473 2.207 2.855 . 0 0 "[ . 1 . 2]" 1
137 1 15 TRP HZ3 1 84 LEU MD1 . . 3.300 2.622 2.308 3.108 . 0 0 "[ . 1 . 2]" 1
138 1 16 GLU H 1 17 LYS H . . 2.900 2.630 2.484 2.704 . 0 0 "[ . 1 . 2]" 1
139 1 16 GLU HA 1 18 ILE H . . 5.000 4.525 3.482 4.800 . 0 0 "[ . 1 . 2]" 1
140 1 16 GLU HA 1 28 TYR H . . 5.000 3.651 3.325 3.856 . 0 0 "[ . 1 . 2]" 1
141 1 16 GLU HA 1 28 TYR HA . . 5.000 4.952 4.821 5.001 0.001 18 0 "[ . 1 . 2]" 1
142 1 16 GLU HA 1 28 TYR HB2 . . 5.000 3.632 3.466 3.733 . 0 0 "[ . 1 . 2]" 1
143 1 16 GLU HA 1 28 TYR HB3 . . 5.000 3.763 3.508 3.910 . 0 0 "[ . 1 . 2]" 1
144 1 16 GLU HA 1 29 LYS HA . . 5.000 3.707 3.547 3.946 . 0 0 "[ . 1 . 2]" 1
145 1 16 GLU QB 1 17 LYS H . . 3.300 2.943 2.901 3.090 . 0 0 "[ . 1 . 2]" 1
146 1 17 LYS H 1 18 ILE H . . 2.900 2.621 2.498 2.902 0.002 16 0 "[ . 1 . 2]" 1
147 1 17 LYS HA 1 27 GLN HB3 . . 5.000 3.848 3.634 4.367 . 0 0 "[ . 1 . 2]" 1
148 1 17 LYS HA 1 27 GLN HG2 . . 5.000 4.129 2.739 5.000 . 0 0 "[ . 1 . 2]" 1
149 1 17 LYS HA 1 28 TYR H . . 5.000 5.000 4.992 5.001 0.001 19 0 "[ . 1 . 2]" 1
150 1 18 ILE H 1 27 GLN QB . . 5.000 4.579 2.988 5.001 0.001 2 0 "[ . 1 . 2]" 1
151 1 18 ILE H 1 28 TYR H . . 5.000 4.353 2.833 4.659 . 0 0 "[ . 1 . 2]" 1
152 1 18 ILE H 1 28 TYR HD2 . . 5.000 4.598 4.025 4.749 . 0 0 "[ . 1 . 2]" 1
153 1 18 ILE HA 1 19 ARG H . . 2.700 2.199 2.144 2.228 . 0 0 "[ . 1 . 2]" 1
154 1 18 ILE HA 1 94 LYS HA . . 5.000 3.366 2.767 3.919 . 0 0 "[ . 1 . 2]" 1
155 1 18 ILE HB 1 28 TYR HD2 . . 2.700 2.631 2.223 2.702 0.002 19 0 "[ . 1 . 2]" 1
156 1 18 ILE MD 1 83 VAL MG1 . . 3.300 2.030 1.823 2.204 . 0 0 "[ . 1 . 2]" 1
157 1 18 ILE MD 1 93 VAL QG . . 5.000 3.087 2.689 3.568 . 0 0 "[ . 1 . 2]" 1
158 1 18 ILE HG12 1 93 VAL MG2 . . 3.300 2.685 2.072 3.300 . 0 0 "[ . 1 . 2]" 1
159 1 18 ILE MG 1 28 TYR HD2 . . 2.700 2.057 1.966 2.112 . 0 0 "[ . 1 . 2]" 1
160 1 18 ILE MG 1 28 TYR HE2 . . 3.300 2.392 2.312 2.484 . 0 0 "[ . 1 . 2]" 1
161 1 18 ILE MG 1 83 VAL MG1 . . 5.000 1.805 1.739 2.144 . 0 0 "[ . 1 . 2]" 1
162 1 18 ILE MG 1 83 VAL MG2 . . 5.000 2.185 2.043 2.526 . 0 0 "[ . 1 . 2]" 1
163 1 18 ILE MG 1 95 ASP H . . 5.000 3.751 3.456 4.179 . 0 0 "[ . 1 . 2]" 1
164 1 18 ILE MG 1 95 ASP HA . . 2.700 2.323 1.974 2.635 . 0 0 "[ . 1 . 2]" 1
165 1 18 ILE MG 1 96 THR H . . 5.000 3.640 3.327 4.010 . 0 0 "[ . 1 . 2]" 1
166 1 19 ARG H 1 95 ASP H . . 5.000 4.534 4.245 4.999 . 0 0 "[ . 1 . 2]" 1
167 1 19 ARG H 1 95 ASP HA . . 2.700 2.329 1.953 2.690 . 0 0 "[ . 1 . 2]" 1
168 1 19 ARG H 1 96 THR H . . 5.000 4.459 4.061 4.947 . 0 0 "[ . 1 . 2]" 1
169 1 19 ARG HA 1 20 LEU H . . 2.700 2.315 2.196 2.381 . 0 0 "[ . 1 . 2]" 1
170 1 19 ARG HA 1 27 GLN HA . . 2.700 2.040 1.999 2.351 . 0 0 "[ . 1 . 2]" 1
171 1 19 ARG HA 1 28 TYR H . . 5.000 3.218 2.930 4.084 . 0 0 "[ . 1 . 2]" 1
172 1 19 ARG HA 1 95 ASP HA . . 5.000 4.510 4.263 4.855 . 0 0 "[ . 1 . 2]" 1
173 1 19 ARG QB 1 21 ARG H . . 3.300 2.714 2.352 3.103 . 0 0 "[ . 1 . 2]" 1
174 1 20 LEU H 1 20 LEU HG . . 2.700 2.224 2.008 2.661 . 0 0 "[ . 1 . 2]" 1
175 1 20 LEU H 1 21 ARG H . . 2.700 2.544 2.423 2.675 . 0 0 "[ . 1 . 2]" 1
176 1 20 LEU H 1 26 LYS H . . 5.000 4.810 3.750 5.000 0.000 2 0 "[ . 1 . 2]" 1
177 1 20 LEU H 1 27 GLN HA . . 3.300 3.299 3.292 3.301 0.001 19 0 "[ . 1 . 2]" 1
178 1 20 LEU HA 1 20 LEU MD2 . . 2.700 2.581 2.167 2.700 0.000 18 0 "[ . 1 . 2]" 1
179 1 20 LEU HA 1 96 THR H . . 5.000 3.833 3.408 4.444 . 0 0 "[ . 1 . 2]" 1
180 1 20 LEU MD1 1 32 HIS HE1 . . 5.000 2.667 2.341 3.148 . 0 0 "[ . 1 . 2]" 1
181 1 20 LEU MD2 1 28 TYR H . . 5.000 4.818 3.894 5.000 0.000 15 0 "[ . 1 . 2]" 1
182 1 20 LEU MD2 1 28 TYR HA . . 3.300 2.782 2.136 3.023 . 0 0 "[ . 1 . 2]" 1
183 1 20 LEU MD2 1 28 TYR QD . . 3.300 2.824 2.655 3.033 . 0 0 "[ . 1 . 2]" 1
184 1 20 LEU MD2 1 28 TYR QE . . 3.300 2.594 2.499 2.822 . 0 0 "[ . 1 . 2]" 1
185 1 20 LEU MD2 1 32 HIS HE1 . . 5.000 2.847 2.525 3.074 . 0 0 "[ . 1 . 2]" 1
186 1 20 LEU HG 1 27 GLN HA . . 5.000 3.991 3.418 4.187 . 0 0 "[ . 1 . 2]" 1
187 1 21 ARG H 1 24 GLY H . . 5.000 4.427 3.973 4.952 . 0 0 "[ . 1 . 2]" 1
188 1 21 ARG H 1 24 GLY HA3 . . 5.000 4.041 3.681 4.458 . 0 0 "[ . 1 . 2]" 1
189 1 21 ARG H 1 95 ASP HB2 . . 5.000 4.536 4.160 4.905 . 0 0 "[ . 1 . 2]" 1
190 1 21 ARG H 1 95 ASP HB3 . . 5.000 4.864 4.467 5.001 0.001 3 0 "[ . 1 . 2]" 1
191 1 21 ARG H 1 96 THR H . . 5.000 4.408 4.053 4.807 . 0 0 "[ . 1 . 2]" 1
192 1 21 ARG HA 1 22 PRO HD2 . . 2.900 2.461 2.360 2.498 . 0 0 "[ . 1 . 2]" 1
193 1 21 ARG HA 1 22 PRO HD3 . . 2.900 2.325 2.284 2.341 . 0 0 "[ . 1 . 2]" 1
194 1 21 ARG HA 1 96 THR H . . 5.000 3.752 3.278 4.194 . 0 0 "[ . 1 . 2]" 1
195 1 21 ARG HA 1 96 THR HB . . 5.000 3.533 3.112 3.830 . 0 0 "[ . 1 . 2]" 1
196 1 21 ARG HA 1 97 LYS H . . 5.000 3.918 3.499 4.635 . 0 0 "[ . 1 . 2]" 1
197 1 22 PRO HA 1 24 GLY H . . 5.000 4.266 4.028 4.719 . 0 0 "[ . 1 . 2]" 1
198 1 22 PRO HA 1 95 ASP HB2 . . 3.300 2.954 2.616 3.145 . 0 0 "[ . 1 . 2]" 1
199 1 22 PRO HA 1 95 ASP HB3 . . 3.300 2.768 2.345 3.221 . 0 0 "[ . 1 . 2]" 1
200 1 22 PRO HA 1 96 THR H . . 5.000 4.940 4.627 5.000 0.000 11 0 "[ . 1 . 2]" 1
201 1 22 PRO HA 1 97 LYS H . . 5.000 4.641 3.903 4.991 . 0 0 "[ . 1 . 2]" 1
202 1 22 PRO HB2 1 23 GLY H . . 3.300 3.219 2.956 3.300 . 0 0 "[ . 1 . 2]" 1
203 1 22 PRO HD2 1 23 GLY H . . 5.000 2.660 2.648 2.733 . 0 0 "[ . 1 . 2]" 1
204 1 22 PRO HD3 1 96 THR H . . 5.000 4.365 3.901 4.849 . 0 0 "[ . 1 . 2]" 1
205 1 22 PRO HD3 1 96 THR HB . . 5.000 4.246 3.646 4.533 . 0 0 "[ . 1 . 2]" 1
206 1 23 GLY H 1 24 GLY H . . 3.300 2.860 2.066 3.300 . 0 0 "[ . 1 . 2]" 1
207 1 24 GLY HA2 1 25 LYS H . . 2.700 2.577 2.431 2.696 . 0 0 "[ . 1 . 2]" 1
208 1 24 GLY HA3 1 25 LYS H . . 2.700 2.550 2.436 2.700 . 0 0 "[ . 1 . 2]" 1
209 1 25 LYS H 1 25 LYS QB . . 2.700 2.560 2.395 2.701 0.001 14 0 "[ . 1 . 2]" 1
210 1 25 LYS H 1 26 LYS H . . 2.700 2.341 1.899 2.690 . 0 0 "[ . 1 . 2]" 1
211 1 26 LYS H 1 26 LYS QB . . 2.700 2.565 2.356 2.699 . 0 0 "[ . 1 . 2]" 1
212 1 26 LYS HA 1 27 GLN H . . 2.700 2.269 2.150 2.678 . 0 0 "[ . 1 . 2]" 1
213 1 27 GLN HA 1 28 TYR H . . 2.700 2.582 2.445 2.675 . 0 0 "[ . 1 . 2]" 1
214 1 28 TYR H 1 28 TYR HD2 . . 3.300 3.300 3.293 3.302 0.002 18 0 "[ . 1 . 2]" 1
215 1 28 TYR HA 1 29 LYS H . . 2.700 2.277 2.270 2.296 . 0 0 "[ . 1 . 2]" 1
216 1 28 TYR HA 1 32 HIS QB . . 5.000 4.420 4.320 4.528 . 0 0 "[ . 1 . 2]" 1
217 1 28 TYR HA 1 32 HIS HE1 . . 3.300 2.253 2.056 2.575 . 0 0 "[ . 1 . 2]" 1
218 1 28 TYR HD1 1 32 HIS QB . . 2.700 2.403 2.280 2.515 . 0 0 "[ . 1 . 2]" 1
219 1 28 TYR HD1 1 32 HIS HE1 . . 5.000 3.954 3.874 4.054 . 0 0 "[ . 1 . 2]" 1
220 1 28 TYR HD1 1 80 THR MG . . 5.000 3.582 3.383 3.974 . 0 0 "[ . 1 . 2]" 1
221 1 28 TYR HD2 1 83 VAL HB . . 5.000 4.992 4.940 5.001 0.001 11 0 "[ . 1 . 2]" 1
222 1 28 TYR HE1 1 80 THR HA . . 3.300 2.781 2.550 3.300 . 13 0 "[ . 1 . 2]" 1
223 1 28 TYR HE1 1 80 THR MG . . 3.300 2.430 2.031 3.173 . 0 0 "[ . 1 . 2]" 1
224 1 28 TYR HE2 1 83 VAL HB . . 5.000 4.072 3.956 4.268 . 0 0 "[ . 1 . 2]" 1
225 1 28 TYR HE2 1 83 VAL MG1 . . 5.000 3.187 3.054 3.527 . 0 0 "[ . 1 . 2]" 1
226 1 28 TYR HE2 1 83 VAL MG2 . . 5.000 2.118 1.994 2.436 . 0 0 "[ . 1 . 2]" 1
227 1 28 TYR HE2 1 96 THR H . . 5.000 3.654 3.315 3.881 . 0 0 "[ . 1 . 2]" 1
228 1 28 TYR HE2 1 96 THR HA . . 5.000 3.888 3.528 4.095 . 0 0 "[ . 1 . 2]" 1
229 1 28 TYR HE2 1 96 THR MG . . 5.000 3.933 3.746 4.107 . 0 0 "[ . 1 . 2]" 1
230 1 28 TYR OH 1 96 THR HG1 . . 2.000 1.990 1.951 2.001 0.001 7 0 "[ . 1 . 2]" 1
231 1 28 TYR OH 1 96 THR OG1 . . 3.000 2.756 2.703 2.817 . 0 0 "[ . 1 . 2]" 1
232 1 29 LYS H 1 32 HIS H . . 5.000 3.471 3.405 3.504 . 0 0 "[ . 1 . 2]" 1
233 1 29 LYS H 1 32 HIS HE1 . . 2.700 2.622 2.532 2.700 0.000 13 0 "[ . 1 . 2]" 1
234 1 29 LYS H 1 32 HIS ND1 . . 2.000 2.000 1.999 2.004 0.004 18 0 "[ . 1 . 2]" 1
235 1 29 LYS HA 1 30 LEU H . . 2.700 2.444 2.383 2.478 . 0 0 "[ . 1 . 2]" 1
236 1 29 LYS QB 1 32 HIS HE1 . . 3.300 3.094 2.880 3.259 . 0 0 "[ . 1 . 2]" 1
237 1 29 LYS N 1 32 HIS ND1 . . 3.000 2.950 2.944 2.953 . 0 0 "[ . 1 . 2]" 1
238 1 30 LEU H 1 30 LEU QD . . 3.300 2.807 1.941 3.220 . 0 0 "[ . 1 . 2]" 1
239 1 30 LEU H 1 31 LYS H . . 2.900 2.736 2.715 2.763 . 0 0 "[ . 1 . 2]" 1
240 1 30 LEU H 1 32 HIS H . . 5.000 4.406 4.374 4.451 . 0 0 "[ . 1 . 2]" 1
241 1 30 LEU H 1 33 ILE H . . 5.000 5.000 4.999 5.002 0.002 14 0 "[ . 1 . 2]" 1
242 1 30 LEU HA 1 30 LEU QD . . 2.700 2.317 1.864 2.662 . 0 0 "[ . 1 . 2]" 1
243 1 30 LEU HA 1 33 ILE H . . 5.000 2.924 2.872 3.019 . 0 0 "[ . 1 . 2]" 1
244 1 30 LEU HA 1 33 ILE HB . . 3.300 2.810 2.710 2.872 . 0 0 "[ . 1 . 2]" 1
245 1 30 LEU HA 1 33 ILE MD . . 3.300 2.365 1.992 2.564 . 0 0 "[ . 1 . 2]" 1
246 1 30 LEU QD 1 33 ILE MD . . 5.000 2.160 1.841 2.809 . 0 0 "[ . 1 . 2]" 1
247 1 31 LYS H 1 32 HIS H . . 2.900 2.770 2.761 2.782 . 0 0 "[ . 1 . 2]" 1
248 1 31 LYS H 1 33 ILE H . . 5.000 4.222 4.167 4.341 . 0 0 "[ . 1 . 2]" 1
249 1 31 LYS H 1 34 VAL H . . 5.000 4.930 4.885 4.970 . 0 0 "[ . 1 . 2]" 1
250 1 31 LYS HA 1 34 VAL H . . 5.000 3.858 3.810 3.924 . 0 0 "[ . 1 . 2]" 1
251 1 31 LYS HA 1 34 VAL HB . . 3.300 3.297 3.273 3.301 0.001 7 0 "[ . 1 . 2]" 1
252 1 31 LYS HA 1 35 TRP H . . 5.000 4.173 3.962 4.439 . 0 0 "[ . 1 . 2]" 1
253 1 32 HIS H 1 32 HIS HD2 . . 5.000 4.072 3.680 4.236 . 0 0 "[ . 1 . 2]" 1
254 1 32 HIS H 1 33 ILE H . . 2.900 2.476 2.424 2.560 . 0 0 "[ . 1 . 2]" 1
255 1 32 HIS H 1 34 VAL H . . 5.000 4.046 3.991 4.096 . 0 0 "[ . 1 . 2]" 1
256 1 32 HIS HA 1 32 HIS HD2 . . 2.900 2.847 2.702 2.900 0.000 6 0 "[ . 1 . 2]" 1
257 1 32 HIS HA 1 35 TRP H . . 5.000 3.476 3.336 3.589 . 0 0 "[ . 1 . 2]" 1
258 1 32 HIS HA 1 35 TRP QB . . 3.300 2.587 2.498 2.732 . 0 0 "[ . 1 . 2]" 1
259 1 32 HIS HA 1 35 TRP HE3 . . 5.000 3.849 3.465 4.255 . 0 0 "[ . 1 . 2]" 1
260 1 32 HIS HA 1 36 ALA H . . 5.000 3.972 3.633 4.376 . 0 0 "[ . 1 . 2]" 1
261 1 33 ILE H 1 33 ILE HB . . 2.700 2.589 2.519 2.632 . 0 0 "[ . 1 . 2]" 1
262 1 33 ILE H 1 34 VAL H . . 2.900 2.552 2.502 2.676 . 0 0 "[ . 1 . 2]" 1
263 1 33 ILE H 1 35 TRP H . . 5.000 4.061 3.978 4.216 . 0 0 "[ . 1 . 2]" 1
264 1 33 ILE HA 1 36 ALA H . . 5.000 3.871 3.635 4.070 . 0 0 "[ . 1 . 2]" 1
265 1 33 ILE HA 1 36 ALA MB . . 3.300 3.120 2.792 3.261 . 0 0 "[ . 1 . 2]" 1
266 1 33 ILE HA 1 80 THR MG . . 5.000 3.068 2.522 3.523 . 0 0 "[ . 1 . 2]" 1
267 1 33 ILE HB 1 34 VAL H . . 2.700 2.697 2.681 2.700 0.000 11 0 "[ . 1 . 2]" 1
268 1 33 ILE MD 1 84 LEU MD1 . . 5.000 2.924 2.649 3.215 . 0 0 "[ . 1 . 2]" 1
269 1 33 ILE MG 1 34 VAL MG2 . . 5.000 3.588 3.420 3.746 . 0 0 "[ . 1 . 2]" 1
270 1 33 ILE MG 1 84 LEU MD1 . . 5.000 2.721 1.997 3.523 . 0 0 "[ . 1 . 2]" 1
271 1 34 VAL H 1 34 VAL HB . . 2.700 2.510 2.501 2.519 . 0 0 "[ . 1 . 2]" 1
272 1 34 VAL H 1 34 VAL MG2 . . 2.700 2.282 2.095 2.403 . 0 0 "[ . 1 . 2]" 1
273 1 34 VAL H 1 35 TRP H . . 2.900 2.528 2.478 2.591 . 0 0 "[ . 1 . 2]" 1
274 1 34 VAL H 1 36 ALA H . . 5.000 4.300 3.894 4.452 . 0 0 "[ . 1 . 2]" 1
275 1 34 VAL H 1 37 SER H . . 5.000 4.857 4.681 5.000 . 0 0 "[ . 1 . 2]" 1
276 1 34 VAL HA 1 34 VAL MG1 . . 2.700 2.329 2.305 2.381 . 0 0 "[ . 1 . 2]" 1
277 1 34 VAL HA 1 34 VAL MG2 . . 2.700 2.332 2.279 2.426 . 0 0 "[ . 1 . 2]" 1
278 1 34 VAL HA 1 37 SER H . . 5.000 3.516 3.129 3.667 . 0 0 "[ . 1 . 2]" 1
279 1 34 VAL HA 1 37 SER QB . . 3.300 2.656 2.339 3.012 . 0 0 "[ . 1 . 2]" 1
280 1 34 VAL HB 1 35 TRP H . . 2.700 2.647 2.464 2.700 0.000 17 0 "[ . 1 . 2]" 1
281 1 35 TRP H 1 36 ALA H . . 2.900 2.798 2.570 2.900 . 0 0 "[ . 1 . 2]" 1
282 1 35 TRP H 1 37 SER H . . 5.000 4.063 3.856 4.278 . 0 0 "[ . 1 . 2]" 1
283 1 35 TRP H 1 38 ARG H . . 5.000 4.999 4.991 5.001 0.001 11 0 "[ . 1 . 2]" 1
284 1 35 TRP HA 1 38 ARG H . . 5.000 3.572 3.442 3.724 . 0 0 "[ . 1 . 2]" 1
285 1 35 TRP HA 1 38 ARG QB . . 3.300 3.081 2.872 3.296 . 0 0 "[ . 1 . 2]" 1
286 1 35 TRP HE3 1 36 ALA H . . 3.300 2.810 2.488 3.284 . 0 0 "[ . 1 . 2]" 1
287 1 35 TRP HH2 1 77 LEU H . . 3.300 3.232 3.096 3.294 . 0 0 "[ . 1 . 2]" 1
288 1 35 TRP HZ2 1 73 GLU HA . . 5.000 3.293 2.739 4.461 . 0 0 "[ . 1 . 2]" 1
289 1 35 TRP HZ2 1 73 GLU QG . . 5.000 3.017 1.990 4.997 . 0 0 "[ . 1 . 2]" 1
290 1 35 TRP HZ3 1 77 LEU HA . . 2.700 2.679 2.599 2.701 0.001 11 0 "[ . 1 . 2]" 1
291 1 35 TRP HZ3 1 77 LEU MD1 . . 5.000 2.978 2.130 3.341 . 0 0 "[ . 1 . 2]" 1
292 1 35 TRP HZ3 1 80 THR H . . 5.000 4.741 4.625 4.912 . 0 0 "[ . 1 . 2]" 1
293 1 36 ALA H 1 37 SER H . . 2.900 2.721 2.342 2.852 . 0 0 "[ . 1 . 2]" 1
294 1 36 ALA H 1 38 ARG H . . 5.000 4.379 4.148 4.490 . 0 0 "[ . 1 . 2]" 1
295 1 36 ALA H 1 39 GLU H . . 5.000 4.898 4.686 5.001 0.001 5 0 "[ . 1 . 2]" 1
296 1 36 ALA HA 1 39 GLU H . . 5.000 3.438 3.255 3.657 . 0 0 "[ . 1 . 2]" 1
297 1 36 ALA HA 1 39 GLU HB2 . . 3.300 3.141 2.567 3.301 0.001 17 0 "[ . 1 . 2]" 1
298 1 36 ALA HA 1 39 GLU HB3 . . 3.300 3.158 2.737 3.301 0.001 14 0 "[ . 1 . 2]" 1
299 1 36 ALA HA 1 77 LEU MD1 . . 2.700 2.423 2.087 2.700 . 0 0 "[ . 1 . 2]" 1
300 1 36 ALA MB 1 37 SER H . . 3.300 2.732 2.469 2.964 . 0 0 "[ . 1 . 2]" 1
301 1 36 ALA MB 1 77 LEU MD1 . . 3.300 2.386 1.939 3.295 . 0 0 "[ . 1 . 2]" 1
302 1 36 ALA MB 1 80 THR HB . . 5.000 3.080 2.805 3.559 . 0 0 "[ . 1 . 2]" 1
303 1 36 ALA MB 1 80 THR MG . . 3.300 2.568 2.349 2.756 . 0 0 "[ . 1 . 2]" 1
304 1 37 SER H 1 38 ARG H . . 2.900 2.715 2.522 2.850 . 0 0 "[ . 1 . 2]" 1
305 1 37 SER H 1 39 GLU H . . 5.000 4.148 3.749 4.573 . 0 0 "[ . 1 . 2]" 1
306 1 37 SER H 1 40 LEU H . . 5.000 4.627 4.485 4.741 . 0 0 "[ . 1 . 2]" 1
307 1 37 SER H 1 50 LEU MD1 . . 3.300 3.271 3.138 3.301 0.001 17 0 "[ . 1 . 2]" 1
308 1 37 SER HA 1 40 LEU H . . 5.000 3.527 3.278 3.829 . 0 0 "[ . 1 . 2]" 1
309 1 37 SER HA 1 40 LEU QB . . 3.300 2.508 2.279 2.702 . 0 0 "[ . 1 . 2]" 1
310 1 37 SER HA 1 50 LEU MD1 . . 2.700 2.481 2.058 2.701 0.001 6 0 "[ . 1 . 2]" 1
311 1 38 ARG H 1 39 GLU H . . 2.900 2.627 2.433 2.790 . 0 0 "[ . 1 . 2]" 1
312 1 38 ARG H 1 40 LEU H . . 5.000 3.894 3.778 4.056 . 0 0 "[ . 1 . 2]" 1
313 1 38 ARG HA 1 41 GLU H . . 5.000 3.810 3.729 3.914 . 0 0 "[ . 1 . 2]" 1
314 1 38 ARG HA 1 41 GLU QB . . 3.300 3.295 3.216 3.301 0.001 18 0 "[ . 1 . 2]" 1
315 1 39 GLU H 1 40 LEU H . . 2.900 2.505 2.290 2.733 . 0 0 "[ . 1 . 2]" 1
316 1 39 GLU H 1 41 GLU H . . 5.000 4.526 4.216 4.813 . 0 0 "[ . 1 . 2]" 1
317 1 39 GLU H 1 42 ARG H . . 5.000 4.987 4.862 5.003 0.003 16 0 "[ . 1 . 2]" 1
318 1 39 GLU HA 1 42 ARG H . . 5.000 3.560 3.407 3.841 . 0 0 "[ . 1 . 2]" 1
319 1 39 GLU HA 1 42 ARG QB . . 3.300 2.617 2.320 3.303 0.003 19 0 "[ . 1 . 2]" 1
320 1 39 GLU QB 1 77 LEU MD1 . . 3.300 2.697 1.986 3.222 . 0 0 "[ . 1 . 2]" 1
321 1 40 LEU H 1 41 GLU H . . 2.900 2.741 2.418 2.901 0.001 9 0 "[ . 1 . 2]" 1
322 1 40 LEU H 1 42 ARG H . . 5.000 3.833 3.584 3.963 . 0 0 "[ . 1 . 2]" 1
323 1 40 LEU H 1 43 PHE H . . 5.000 4.997 4.932 5.002 0.002 20 0 "[ . 1 . 2]" 1
324 1 40 LEU H 1 77 LEU MD1 . . 5.000 4.244 3.868 4.595 . 0 0 "[ . 1 . 2]" 1
325 1 40 LEU HA 1 43 PHE H . . 5.000 3.454 3.325 3.556 . 0 0 "[ . 1 . 2]" 1
326 1 40 LEU HA 1 43 PHE HB2 . . 5.000 3.275 3.014 3.534 . 0 0 "[ . 1 . 2]" 1
327 1 40 LEU HA 1 45 VAL HB . . 3.300 3.202 3.092 3.301 0.001 19 0 "[ . 1 . 2]" 1
328 1 40 LEU HA 1 45 VAL MG2 . . 5.000 4.276 4.171 4.360 . 0 0 "[ . 1 . 2]" 1
329 1 40 LEU MD1 1 47 PRO HA . . 2.700 2.226 1.944 2.694 . 0 0 "[ . 1 . 2]" 1
330 1 40 LEU MD1 1 47 PRO HB3 . . 5.000 3.565 3.159 4.033 . 0 0 "[ . 1 . 2]" 1
331 1 40 LEU MD1 1 50 LEU MD2 . . 3.300 2.051 1.826 2.567 . 0 0 "[ . 1 . 2]" 1
332 1 40 LEU MD1 1 50 LEU HG . . 2.700 2.041 1.935 2.324 . 0 0 "[ . 1 . 2]" 1
333 1 40 LEU MD1 1 59 ILE MD . . 3.300 2.199 1.970 2.929 . 0 0 "[ . 1 . 2]" 1
334 1 40 LEU MD1 1 59 ILE MG . . 5.000 3.266 2.857 4.073 . 0 0 "[ . 1 . 2]" 1
335 1 40 LEU MD2 1 45 VAL HB . . 2.700 2.087 1.968 2.315 . 0 0 "[ . 1 . 2]" 1
336 1 40 LEU MD2 1 63 LEU MD1 . . 5.000 3.947 3.005 4.276 . 0 0 "[ . 1 . 2]" 1
337 1 40 LEU MD2 1 77 LEU MD1 . . 5.000 3.277 2.431 4.808 . 0 0 "[ . 1 . 2]" 1
338 1 40 LEU MD2 1 77 LEU MD2 . . 5.000 4.413 3.069 5.001 0.001 10 0 "[ . 1 . 2]" 1
339 1 41 GLU H 1 42 ARG H . . 2.900 2.720 2.673 2.747 . 0 0 "[ . 1 . 2]" 1
340 1 41 GLU H 1 43 PHE H . . 5.000 4.250 4.187 4.318 . 0 0 "[ . 1 . 2]" 1
341 1 41 GLU H 1 47 PRO HB3 . . 5.000 4.217 4.086 4.309 . 0 0 "[ . 1 . 2]" 1
342 1 41 GLU H 1 47 PRO HD3 . . 5.000 3.755 3.707 3.806 . 0 0 "[ . 1 . 2]" 1
343 1 41 GLU H 1 47 PRO HG3 . . 5.000 5.001 5.000 5.003 0.003 11 0 "[ . 1 . 2]" 1
344 1 41 GLU HA 1 44 ALA H . . 5.000 3.968 3.872 4.093 . 0 0 "[ . 1 . 2]" 1
345 1 42 ARG H 1 43 PHE H . . 2.900 2.550 2.481 2.636 . 0 0 "[ . 1 . 2]" 1
346 1 42 ARG H 1 44 ALA H . . 5.000 4.279 4.224 4.343 . 0 0 "[ . 1 . 2]" 1
347 1 42 ARG HA 1 44 ALA H . . 5.000 3.595 3.565 3.629 . 0 0 "[ . 1 . 2]" 1
348 1 43 PHE H 1 43 PHE HB2 . . 2.700 2.441 2.285 2.540 . 0 0 "[ . 1 . 2]" 1
349 1 43 PHE H 1 44 ALA H . . 2.900 2.794 2.752 2.813 . 0 0 "[ . 1 . 2]" 1
350 1 43 PHE H 1 45 VAL H . . 5.000 3.108 3.021 3.129 . 0 0 "[ . 1 . 2]" 1
351 1 43 PHE HB2 1 45 VAL MG2 . . 5.000 2.983 2.801 3.268 . 0 0 "[ . 1 . 2]" 1
352 1 43 PHE HB3 1 45 VAL MG2 . . 5.000 3.190 2.952 3.357 . 0 0 "[ . 1 . 2]" 1
353 1 43 PHE HZ 1 74 LEU HA . . 5.000 4.799 4.229 5.000 0.000 19 0 "[ . 1 . 2]" 1
354 1 43 PHE HZ 1 74 LEU MD1 . . 5.000 4.331 3.612 5.000 0.000 12 0 "[ . 1 . 2]" 1
355 1 44 ALA HA 1 45 VAL H . . 3.300 3.024 2.996 3.044 . 0 0 "[ . 1 . 2]" 1
356 1 45 VAL H 1 45 VAL HB . . 2.700 2.622 2.611 2.627 . 0 0 "[ . 1 . 2]" 1
357 1 45 VAL H 1 45 VAL MG2 . . 2.700 2.704 2.701 2.707 0.007 8 0 "[ . 1 . 2]" 1
358 1 45 VAL HA 1 45 VAL MG1 . . 2.700 2.354 2.351 2.356 . 0 0 "[ . 1 . 2]" 1
359 1 45 VAL HA 1 45 VAL MG2 . . 2.700 2.432 2.429 2.434 . 0 0 "[ . 1 . 2]" 1
360 1 45 VAL HA 1 46 ASN H . . 2.700 2.147 2.142 2.160 . 0 0 "[ . 1 . 2]" 1
361 1 45 VAL MG1 1 46 ASN H . . 2.700 2.579 2.270 2.702 0.002 19 0 "[ . 1 . 2]" 1
362 1 45 VAL MG1 1 59 ILE HA . . 5.000 4.066 3.593 4.425 . 0 0 "[ . 1 . 2]" 1
363 1 45 VAL MG1 1 59 ILE MG . . 5.000 3.498 3.037 4.029 . 0 0 "[ . 1 . 2]" 1
364 1 45 VAL MG2 1 49 LEU MD1 . . 3.300 3.303 3.299 3.307 0.007 17 0 "[ . 1 . 2]" 1
365 1 45 VAL MG2 1 62 GLN QB . . 5.000 4.481 4.093 4.854 . 0 0 "[ . 1 . 2]" 1
366 1 46 ASN H 1 49 LEU MD1 . . 5.000 3.016 2.631 3.404 . 0 0 "[ . 1 . 2]" 1
367 1 46 ASN HA 1 47 PRO HD2 . . 2.700 2.255 2.229 2.270 . 0 0 "[ . 1 . 2]" 1
368 1 46 ASN HA 1 47 PRO HD3 . . 2.700 2.259 2.255 2.262 . 0 0 "[ . 1 . 2]" 1
369 1 46 ASN HA 1 48 GLY H . . 5.000 3.811 3.766 3.848 . 0 0 "[ . 1 . 2]" 1
370 1 46 ASN QB 1 48 GLY H . . 5.000 2.317 2.203 2.762 . 0 0 "[ . 1 . 2]" 1
371 1 46 ASN QB 1 49 LEU H . . 5.000 3.676 3.212 4.102 . 0 0 "[ . 1 . 2]" 1
372 1 46 ASN QB 1 49 LEU MD1 . . 5.000 3.521 3.196 4.408 . 0 0 "[ . 1 . 2]" 1
373 1 47 PRO HA 1 49 LEU H . . 5.000 3.496 3.310 3.814 . 0 0 "[ . 1 . 2]" 1
374 1 47 PRO HA 1 50 LEU QB . . 5.000 4.290 3.862 5.001 0.001 14 0 "[ . 1 . 2]" 1
375 1 47 PRO HD2 1 48 GLY H . . 2.900 2.794 2.732 2.840 . 0 0 "[ . 1 . 2]" 1
376 1 48 GLY H 1 49 LEU H . . 2.700 2.663 2.619 2.702 0.002 16 0 "[ . 1 . 2]" 1
377 1 48 GLY H 1 50 LEU H . . 5.000 4.431 4.291 4.801 . 0 0 "[ . 1 . 2]" 1
378 1 49 LEU H 1 49 LEU HB2 . . 2.700 2.503 2.398 2.567 . 0 0 "[ . 1 . 2]" 1
379 1 49 LEU H 1 49 LEU HG . . 2.700 2.425 2.217 2.702 0.002 11 0 "[ . 1 . 2]" 1
380 1 49 LEU H 1 50 LEU H . . 2.700 2.471 2.153 2.701 0.001 5 0 "[ . 1 . 2]" 1
381 1 49 LEU H 1 51 GLU H . . 5.000 4.140 3.836 4.461 . 0 0 "[ . 1 . 2]" 1
382 1 49 LEU HA 1 49 LEU MD2 . . 2.700 2.089 1.962 2.200 . 0 0 "[ . 1 . 2]" 1
383 1 49 LEU HA 1 49 LEU HG . . 3.300 3.243 3.082 3.301 0.001 2 0 "[ . 1 . 2]" 1
384 1 49 LEU HA 1 52 THR H . . 5.000 3.805 3.614 4.212 . 0 0 "[ . 1 . 2]" 1
385 1 49 LEU HA 1 55 GLY HA3 . . 3.300 2.856 2.300 3.094 . 0 0 "[ . 1 . 2]" 1
386 1 49 LEU MD2 1 55 GLY HA2 . . 3.300 2.992 2.254 3.293 . 0 0 "[ . 1 . 2]" 1
387 1 49 LEU MD2 1 55 GLY HA3 . . 3.300 2.686 2.041 2.981 . 0 0 "[ . 1 . 2]" 1
388 1 50 LEU H 1 50 LEU HG . . 2.700 2.461 2.163 2.700 0.000 14 0 "[ . 1 . 2]" 1
389 1 50 LEU H 1 51 GLU H . . 2.700 2.466 1.900 2.646 . 0 0 "[ . 1 . 2]" 1
390 1 50 LEU H 1 52 THR H . . 5.000 4.084 3.469 4.306 . 0 0 "[ . 1 . 2]" 1
391 1 50 LEU HA 1 50 LEU MD2 . . 2.700 2.281 2.055 2.525 . 0 0 "[ . 1 . 2]" 1
392 1 50 LEU HA 1 50 LEU HG . . 3.300 2.967 2.562 3.181 . 0 0 "[ . 1 . 2]" 1
393 1 50 LEU HA 1 56 CYS HA . . 5.000 3.921 3.580 4.409 . 0 0 "[ . 1 . 2]" 1
394 1 50 LEU HA 1 59 ILE MD . . 3.300 3.296 3.281 3.301 0.001 2 0 "[ . 1 . 2]" 1
395 1 50 LEU MD1 1 84 LEU MD2 . . 5.000 3.415 3.128 3.712 . 0 0 "[ . 1 . 2]" 1
396 1 50 LEU MD2 1 56 CYS HA . . 5.000 3.699 3.020 4.430 . 0 0 "[ . 1 . 2]" 1
397 1 50 LEU MD2 1 59 ILE MD . . 3.300 2.287 1.891 3.283 . 0 0 "[ . 1 . 2]" 1
398 1 50 LEU MD2 1 84 LEU MD2 . . 3.300 2.363 1.877 2.921 . 0 0 "[ . 1 . 2]" 1
399 1 50 LEU HG 1 59 ILE MD . . 5.000 3.118 2.638 3.588 . 0 0 "[ . 1 . 2]" 1
400 1 50 LEU O 1 88 HIS HE2 . . 2.000 1.991 1.903 2.001 0.001 6 0 "[ . 1 . 2]" 1
401 1 50 LEU O 1 88 HIS NE2 . . 3.000 2.803 2.798 2.814 . 0 0 "[ . 1 . 2]" 1
402 1 51 GLU H 1 52 THR H . . 2.700 2.622 2.514 2.706 0.006 12 0 "[ . 1 . 2]" 1
403 1 51 GLU HA 1 52 THR H . . 3.300 3.132 2.973 3.311 0.011 16 0 "[ . 1 . 2]" 1
404 1 51 GLU QG 1 52 THR MG . . 3.300 2.318 1.959 3.300 0.000 4 0 "[ . 1 . 2]" 1
405 1 52 THR H 1 52 THR MG . . 2.700 2.661 2.271 2.705 0.005 18 0 "[ . 1 . 2]" 1
406 1 52 THR H 1 54 GLU H . . 5.000 5.002 4.998 5.005 0.005 12 0 "[ . 1 . 2]" 1
407 1 52 THR H 1 55 GLY H . . 5.000 4.351 4.135 4.915 . 0 0 "[ . 1 . 2]" 1
408 1 52 THR H 1 56 CYS H . . 5.000 4.055 3.626 4.432 . 0 0 "[ . 1 . 2]" 1
409 1 52 THR HA 1 53 SER H . . 2.700 2.151 2.141 2.163 . 0 0 "[ . 1 . 2]" 1
410 1 52 THR HA 1 88 HIS HD2 . . 5.000 4.561 4.154 4.967 . 0 0 "[ . 1 . 2]" 1
411 1 52 THR MG 1 55 GLY H . . 5.000 3.746 2.247 3.919 . 0 0 "[ . 1 . 2]" 1
412 1 52 THR OG1 1 55 GLY H . . 2.000 1.993 1.939 2.003 0.003 12 0 "[ . 1 . 2]" 1
413 1 52 THR OG1 1 55 GLY N . . 3.000 2.794 2.749 2.974 . 0 0 "[ . 1 . 2]" 1
414 1 53 SER H 1 54 GLU H . . 2.900 2.694 2.661 2.713 . 0 0 "[ . 1 . 2]" 1
415 1 53 SER H 1 55 GLY H . . 5.000 4.457 4.354 4.615 . 0 0 "[ . 1 . 2]" 1
416 1 53 SER H 1 88 HIS HB3 . . 3.300 3.298 3.286 3.301 0.001 13 0 "[ . 1 . 2]" 1
417 1 53 SER H 1 88 HIS HD2 . . 5.000 4.174 3.710 4.605 . 0 0 "[ . 1 . 2]" 1
418 1 53 SER HA 1 56 CYS H . . 5.000 3.952 3.696 4.129 . 0 0 "[ . 1 . 2]" 1
419 1 53 SER HA 1 85 TYR QD . . 3.300 3.275 3.176 3.296 . 0 0 "[ . 1 . 2]" 1
420 1 53 SER HA 1 85 TYR QE . . 5.000 3.981 3.839 4.281 . 0 0 "[ . 1 . 2]" 1
421 1 53 SER HA 1 88 HIS HB2 . . 3.300 2.642 2.372 3.022 . 0 0 "[ . 1 . 2]" 1
422 1 53 SER HA 1 88 HIS HB3 . . 5.000 2.844 2.216 3.565 . 0 0 "[ . 1 . 2]" 1
423 1 53 SER HA 1 88 HIS HD2 . . 3.300 3.011 2.583 3.300 . 0 0 "[ . 1 . 2]" 1
424 1 53 SER QB 1 85 TYR QD . . 5.000 4.312 3.930 4.945 . 0 0 "[ . 1 . 2]" 1
425 1 53 SER QB 1 85 TYR QE . . 5.000 3.933 3.594 4.536 . 0 0 "[ . 1 . 2]" 1
426 1 54 GLU H 1 55 GLY H . . 2.900 2.482 2.405 2.566 . 0 0 "[ . 1 . 2]" 1
427 1 54 GLU H 1 56 CYS H . . 5.000 4.058 3.541 4.254 . 0 0 "[ . 1 . 2]" 1
428 1 54 GLU HA 1 57 ARG H . . 5.000 3.594 3.280 3.807 . 0 0 "[ . 1 . 2]" 1
429 1 54 GLU HA 1 57 ARG QB . . 3.300 2.950 2.608 3.300 . 0 0 "[ . 1 . 2]" 1
430 1 55 GLY H 1 56 CYS H . . 2.900 2.831 2.703 2.901 0.001 18 0 "[ . 1 . 2]" 1
431 1 55 GLY H 1 57 ARG H . . 5.000 4.262 4.040 4.569 . 0 0 "[ . 1 . 2]" 1
432 1 55 GLY HA2 1 58 GLN H . . 5.000 3.503 3.275 3.776 . 0 0 "[ . 1 . 2]" 1
433 1 55 GLY HA2 1 58 GLN QB . . 3.300 2.921 2.606 3.297 . 0 0 "[ . 1 . 2]" 1
434 1 56 CYS H 1 57 ARG H . . 2.900 2.746 2.534 2.853 . 0 0 "[ . 1 . 2]" 1
435 1 56 CYS H 1 58 GLN H . . 5.000 4.336 4.049 4.571 . 0 0 "[ . 1 . 2]" 1
436 1 56 CYS HA 1 59 ILE H . . 5.000 3.460 3.254 3.848 . 0 0 "[ . 1 . 2]" 1
437 1 56 CYS HA 1 59 ILE HB . . 5.000 2.844 2.518 3.440 . 0 0 "[ . 1 . 2]" 1
438 1 56 CYS HB2 1 85 TYR QD . . 2.700 2.379 2.005 2.698 . 0 0 "[ . 1 . 2]" 1
439 1 56 CYS HB2 1 88 HIS HD2 . . 5.000 3.471 2.785 4.149 . 0 0 "[ . 1 . 2]" 1
440 1 56 CYS HB3 1 85 TYR H . . 5.000 4.178 3.730 4.716 . 0 0 "[ . 1 . 2]" 1
441 1 57 ARG H 1 58 GLN H . . 2.900 2.725 2.536 2.887 . 0 0 "[ . 1 . 2]" 1
442 1 57 ARG H 1 59 ILE H . . 5.000 4.130 3.976 4.357 . 0 0 "[ . 1 . 2]" 1
443 1 57 ARG H 1 85 TYR QD . . 3.300 3.268 3.135 3.295 . 0 0 "[ . 1 . 2]" 1
444 1 57 ARG H 1 85 TYR QE . . 5.000 3.491 3.365 3.622 . 0 0 "[ . 1 . 2]" 1
445 1 57 ARG HA 1 60 LEU H . . 5.000 3.604 3.414 3.880 . 0 0 "[ . 1 . 2]" 1
446 1 57 ARG HA 1 60 LEU HB3 . . 5.000 4.704 4.498 4.988 . 0 0 "[ . 1 . 2]" 1
447 1 57 ARG HA 1 61 GLY H . . 5.000 4.381 3.842 4.883 . 0 0 "[ . 1 . 2]" 1
448 1 57 ARG HA 1 85 TYR QD . . 5.000 3.969 3.511 4.357 . 0 0 "[ . 1 . 2]" 1
449 1 57 ARG HA 1 85 TYR QE . . 5.000 3.848 3.477 4.255 . 0 0 "[ . 1 . 2]" 1
450 1 58 GLN H 1 59 ILE H . . 2.900 2.639 2.539 2.793 . 0 0 "[ . 1 . 2]" 1
451 1 58 GLN H 1 60 LEU H . . 5.000 4.191 3.957 4.652 . 0 0 "[ . 1 . 2]" 1
452 1 58 GLN HA 1 61 GLY H . . 5.000 3.376 3.188 3.689 . 0 0 "[ . 1 . 2]" 1
453 1 59 ILE H 1 59 ILE HB . . 2.700 2.562 2.510 2.607 . 0 0 "[ . 1 . 2]" 1
454 1 59 ILE H 1 59 ILE MD . . 5.000 3.341 3.281 3.497 . 0 0 "[ . 1 . 2]" 1
455 1 59 ILE H 1 60 LEU H . . 2.900 2.674 2.497 2.876 . 0 0 "[ . 1 . 2]" 1
456 1 59 ILE H 1 61 GLY H . . 5.000 3.935 3.765 4.095 . 0 0 "[ . 1 . 2]" 1
457 1 59 ILE HA 1 62 GLN H . . 5.000 3.717 3.565 3.903 . 0 0 "[ . 1 . 2]" 1
458 1 59 ILE HA 1 62 GLN QB . . 3.300 3.296 3.290 3.300 0.000 8 0 "[ . 1 . 2]" 1
459 1 59 ILE HB 1 60 LEU H . . 2.700 2.621 2.100 2.701 0.001 19 0 "[ . 1 . 2]" 1
460 1 59 ILE MG 1 60 LEU H . . 5.000 3.474 3.041 3.576 . 0 0 "[ . 1 . 2]" 1
461 1 59 ILE MG 1 63 LEU MD1 . . 3.300 2.188 1.896 2.530 . 0 0 "[ . 1 . 2]" 1
462 1 59 ILE MG 1 63 LEU HG . . 3.300 3.037 2.742 3.294 . 0 0 "[ . 1 . 2]" 1
463 1 60 LEU H 1 60 LEU HG . . 2.700 2.410 2.003 2.602 . 0 0 "[ . 1 . 2]" 1
464 1 60 LEU H 1 61 GLY H . . 2.900 2.504 2.420 2.754 . 0 0 "[ . 1 . 2]" 1
465 1 60 LEU H 1 62 GLN H . . 5.000 4.188 3.997 4.338 . 0 0 "[ . 1 . 2]" 1
466 1 60 LEU H 1 81 ILE MG . . 5.000 3.420 3.254 3.808 . 0 0 "[ . 1 . 2]" 1
467 1 60 LEU HA 1 60 LEU MD2 . . 2.700 2.378 2.184 2.698 . 0 0 "[ . 1 . 2]" 1
468 1 60 LEU HA 1 63 LEU H . . 5.000 3.215 3.046 3.387 . 0 0 "[ . 1 . 2]" 1
469 1 60 LEU HA 1 63 LEU HB3 . . 5.000 4.200 3.550 4.592 . 0 0 "[ . 1 . 2]" 1
470 1 60 LEU HA 1 63 LEU MD1 . . 3.300 2.995 2.549 3.300 . 20 0 "[ . 1 . 2]" 1
471 1 60 LEU HA 1 78 TYR HD1 . . 3.300 2.901 2.358 3.210 . 0 0 "[ . 1 . 2]" 1
472 1 60 LEU HA 1 78 TYR HE1 . . 3.300 2.784 2.262 3.174 . 0 0 "[ . 1 . 2]" 1
473 1 60 LEU HB2 1 61 GLY H . . 3.300 2.902 2.604 2.974 . 0 0 "[ . 1 . 2]" 1
474 1 60 LEU MD1 1 82 ALA HA . . 3.300 2.805 2.128 3.280 . 0 0 "[ . 1 . 2]" 1
475 1 60 LEU MD1 1 82 ALA MB . . 5.000 3.711 3.241 4.321 . 0 0 "[ . 1 . 2]" 1
476 1 60 LEU MD1 1 85 TYR HB2 . . 5.000 2.536 2.182 2.890 . 0 0 "[ . 1 . 2]" 1
477 1 60 LEU MD1 1 85 TYR HB3 . . 5.000 2.808 2.498 3.249 . 0 0 "[ . 1 . 2]" 1
478 1 60 LEU MD1 1 103 ILE MD . . 5.000 2.352 1.966 2.936 . 0 0 "[ . 1 . 2]" 1
479 1 60 LEU MD2 1 78 TYR HA . . 5.000 2.647 2.267 3.106 . 0 0 "[ . 1 . 2]" 1
480 1 60 LEU MD2 1 78 TYR HD1 . . 5.000 2.556 2.362 3.047 . 0 0 "[ . 1 . 2]" 1
481 1 60 LEU MD2 1 78 TYR HE1 . . 5.000 2.674 2.489 3.039 . 0 0 "[ . 1 . 2]" 1
482 1 60 LEU MD2 1 81 ILE HB . . 3.300 2.347 2.077 2.681 . 0 0 "[ . 1 . 2]" 1
483 1 60 LEU MD2 1 81 ILE MG . . 3.300 2.146 1.921 2.618 . 0 0 "[ . 1 . 2]" 1
484 1 60 LEU MD2 1 82 ALA H . . 3.300 3.101 2.691 3.300 . 0 0 "[ . 1 . 2]" 1
485 1 60 LEU MD2 1 82 ALA HA . . 5.000 2.659 2.089 3.042 . 0 0 "[ . 1 . 2]" 1
486 1 60 LEU MD2 1 82 ALA MB . . 5.000 2.806 2.216 3.159 . 0 0 "[ . 1 . 2]" 1
487 1 61 GLY H 1 62 GLN H . . 2.900 2.629 2.580 2.769 . 0 0 "[ . 1 . 2]" 1
488 1 61 GLY H 1 63 LEU H . . 5.000 4.002 3.889 4.177 . 0 0 "[ . 1 . 2]" 1
489 1 61 GLY QA 1 64 GLN H . . 5.000 3.541 3.426 3.825 . 0 0 "[ . 1 . 2]" 1
490 1 61 GLY QA 1 64 GLN HB2 . . 5.000 2.700 2.556 3.116 . 0 0 "[ . 1 . 2]" 1
491 1 62 GLN H 1 63 LEU H . . 2.900 2.303 2.116 2.412 . 0 0 "[ . 1 . 2]" 1
492 1 62 GLN H 1 64 GLN H . . 5.000 3.740 3.521 3.899 . 0 0 "[ . 1 . 2]" 1
493 1 63 LEU H 1 64 GLN H . . 2.900 2.335 2.238 2.423 . 0 0 "[ . 1 . 2]" 1
494 1 63 LEU HA 1 63 LEU MD2 . . 2.700 2.067 1.972 2.154 . 0 0 "[ . 1 . 2]" 1
495 1 63 LEU HA 1 63 LEU HG . . 3.300 3.053 2.735 3.295 . 0 0 "[ . 1 . 2]" 1
496 1 63 LEU HA 1 66 SER H . . 5.000 3.224 3.222 3.226 . 0 0 "[ . 1 . 2]" 1
497 1 63 LEU HA 1 74 LEU MD1 . . 5.000 3.338 2.649 4.173 . 0 0 "[ . 1 . 2]" 1
498 1 63 LEU MD1 1 77 LEU MD2 . . 5.000 3.640 2.092 4.258 . 0 0 "[ . 1 . 2]" 1
499 1 63 LEU MD1 1 77 LEU HG . . 3.300 3.102 2.914 3.300 . 0 0 "[ . 1 . 2]" 1
500 1 63 LEU MD1 1 78 TYR H . . 5.000 2.764 2.539 3.220 . 0 0 "[ . 1 . 2]" 1
501 1 63 LEU MD1 1 78 TYR HA . . 3.300 2.646 2.273 2.903 . 0 0 "[ . 1 . 2]" 1
502 1 63 LEU MD1 1 78 TYR HD1 . . 3.300 2.567 2.290 2.915 . 0 0 "[ . 1 . 2]" 1
503 1 63 LEU MD1 1 81 ILE MD . . 3.300 1.937 1.782 2.243 . 0 0 "[ . 1 . 2]" 1
504 1 63 LEU MD2 1 74 LEU MD1 . . 5.000 2.340 1.894 2.842 . 0 0 "[ . 1 . 2]" 1
505 1 63 LEU MD2 1 77 LEU MD2 . . 5.000 3.870 2.090 4.736 . 0 0 "[ . 1 . 2]" 1
506 1 64 GLN H 1 65 PRO HD2 . . 3.300 2.210 2.209 2.211 . 0 0 "[ . 1 . 2]" 1
507 1 64 GLN H 1 65 PRO HD3 . . 3.300 3.263 3.261 3.264 . 0 0 "[ . 1 . 2]" 1
508 1 64 GLN H 1 78 TYR HD1 . . 5.000 4.206 3.695 4.642 . 0 0 "[ . 1 . 2]" 1
509 1 64 GLN H 1 78 TYR HE1 . . 5.000 3.298 3.119 3.486 . 0 0 "[ . 1 . 2]" 1
510 1 64 GLN HA 1 66 SER H . . 5.000 4.113 4.108 4.144 . 0 0 "[ . 1 . 2]" 1
511 1 64 GLN HA 1 67 LEU H . . 5.000 3.986 3.778 4.397 . 0 0 "[ . 1 . 2]" 1
512 1 64 GLN HA 1 78 TYR HD1 . . 5.000 4.392 3.828 4.691 . 0 0 "[ . 1 . 2]" 1
513 1 64 GLN HA 1 78 TYR HE1 . . 3.300 3.238 2.974 3.300 0.000 16 0 "[ . 1 . 2]" 1
514 1 64 GLN QB 1 78 TYR HE1 . . 5.000 3.761 3.498 3.990 . 0 0 "[ . 1 . 2]" 1
515 1 64 GLN QG 1 78 TYR HE1 . . 5.000 2.375 1.998 2.893 . 0 0 "[ . 1 . 2]" 1
516 1 65 PRO HA 1 67 LEU H . . 5.000 3.961 3.632 4.137 . 0 0 "[ . 1 . 2]" 1
517 1 65 PRO HA 1 68 GLN H . . 5.000 4.373 3.994 5.000 . 0 0 "[ . 1 . 2]" 1
518 1 65 PRO HD2 1 66 SER H . . 3.300 2.728 2.715 2.731 . 0 0 "[ . 1 . 2]" 1
519 1 66 SER H 1 67 LEU H . . 2.900 2.467 2.341 2.717 . 0 0 "[ . 1 . 2]" 1
520 1 66 SER H 1 68 GLN H . . 5.000 4.447 4.116 4.979 . 0 0 "[ . 1 . 2]" 1
521 1 66 SER HA 1 68 GLN H . . 5.000 3.745 3.661 3.879 . 0 0 "[ . 1 . 2]" 1
522 1 66 SER HA 1 69 THR H . . 5.000 3.361 2.874 3.561 . 0 0 "[ . 1 . 2]" 1
523 1 66 SER QB 1 74 LEU MD1 . . 5.000 2.061 1.886 2.640 . 0 0 "[ . 1 . 2]" 1
524 1 66 SER QB 1 74 LEU MD2 . . 5.000 2.401 1.768 4.251 . 0 0 "[ . 1 . 2]" 1
525 1 67 LEU H 1 67 LEU HB2 . . 2.700 2.270 2.126 2.367 . 0 0 "[ . 1 . 2]" 1
526 1 67 LEU H 1 67 LEU HG . . 3.300 2.842 2.577 3.300 . 0 0 "[ . 1 . 2]" 1
527 1 67 LEU H 1 68 GLN H . . 2.900 2.638 2.401 2.783 . 0 0 "[ . 1 . 2]" 1
528 1 67 LEU H 1 69 THR H . . 5.000 4.366 3.864 4.777 . 0 0 "[ . 1 . 2]" 1
529 1 67 LEU HA 1 67 LEU MD2 . . 2.700 2.416 2.082 2.689 . 0 0 "[ . 1 . 2]" 1
530 1 67 LEU HA 1 69 THR H . . 5.000 4.514 4.221 4.956 . 0 0 "[ . 1 . 2]" 1
531 1 67 LEU HA 1 70 GLY H . . 5.000 3.648 3.263 4.293 . 0 0 "[ . 1 . 2]" 1
532 1 67 LEU HA 1 74 LEU MD2 . . 2.700 2.274 1.981 2.662 . 0 0 "[ . 1 . 2]" 1
533 1 67 LEU HB2 1 68 GLN H . . 3.300 2.928 2.823 3.005 . 0 0 "[ . 1 . 2]" 1
534 1 67 LEU MD1 1 78 TYR QE . . 2.700 2.672 2.581 2.700 0.000 19 0 "[ . 1 . 2]" 1
535 1 67 LEU MD2 1 74 LEU MD2 . . 3.300 2.634 2.259 3.288 . 0 0 "[ . 1 . 2]" 1
536 1 67 LEU MD2 1 75 ARG HA . . 3.300 2.944 2.284 3.254 . 0 0 "[ . 1 . 2]" 1
537 1 67 LEU MD2 1 75 ARG QG . . 3.300 2.996 2.590 3.248 . 0 0 "[ . 1 . 2]" 1
538 1 67 LEU MD2 1 78 TYR HB2 . . 3.300 2.865 2.298 3.205 . 0 0 "[ . 1 . 2]" 1
539 1 67 LEU MD2 1 78 TYR HB3 . . 3.300 2.748 2.147 3.147 . 0 0 "[ . 1 . 2]" 1
540 1 67 LEU MD2 1 78 TYR QD . . 2.700 2.678 2.570 2.701 0.001 20 0 "[ . 1 . 2]" 1
541 1 67 LEU HG 1 78 TYR HD1 . . 5.000 4.333 3.930 4.636 . 0 0 "[ . 1 . 2]" 1
542 1 67 LEU HG 1 78 TYR HE1 . . 5.000 4.949 4.830 5.001 0.001 8 0 "[ . 1 . 2]" 1
543 1 68 GLN H 1 69 THR H . . 2.900 2.681 2.298 2.889 . 0 0 "[ . 1 . 2]" 1
544 1 68 GLN H 1 70 GLY H . . 5.000 4.141 3.622 4.321 . 0 0 "[ . 1 . 2]" 1
545 1 68 GLN HA 1 70 GLY H . . 5.000 4.208 3.714 4.875 . 0 0 "[ . 1 . 2]" 1
546 1 68 GLN HB3 1 69 THR H . . 2.700 2.536 2.218 2.698 . 0 0 "[ . 1 . 2]" 1
547 1 69 THR H 1 70 GLY H . . 2.900 2.788 2.492 2.891 . 0 0 "[ . 1 . 2]" 1
548 1 70 GLY HA2 1 71 SER H . . 2.700 2.396 2.185 2.687 . 0 0 "[ . 1 . 2]" 1
549 1 70 GLY HA2 1 74 LEU MD2 . . 5.000 3.536 2.789 4.033 . 0 0 "[ . 1 . 2]" 1
550 1 70 GLY HA3 1 71 SER H . . 3.300 2.757 2.445 3.062 . 0 0 "[ . 1 . 2]" 1
551 1 70 GLY HA3 1 74 LEU MD2 . . 3.300 2.371 1.910 2.901 . 0 0 "[ . 1 . 2]" 1
552 1 71 SER H 1 71 SER HB3 . . 3.300 2.793 2.441 3.304 0.004 12 0 "[ . 1 . 2]" 1
553 1 71 SER H 1 74 LEU H . . 5.000 3.146 2.893 4.068 . 0 0 "[ . 1 . 2]" 1
554 1 71 SER H 1 74 LEU QB . . 5.000 2.424 1.911 5.001 0.001 12 0 "[ . 1 . 2]" 1
555 1 71 SER H 1 74 LEU MD2 . . 5.000 3.957 3.024 4.559 . 0 0 "[ . 1 . 2]" 1
556 1 71 SER HA 1 72 GLU H . . 2.700 2.644 2.362 2.702 0.002 19 0 "[ . 1 . 2]" 1
557 1 71 SER HB2 1 72 GLU H . . 2.700 2.187 1.962 2.703 0.003 12 0 "[ . 1 . 2]" 1
558 1 71 SER HB2 1 73 GLU H . . 5.000 3.500 2.340 4.956 . 0 0 "[ . 1 . 2]" 1
559 1 72 GLU H 1 73 GLU H . . 2.900 2.760 2.673 2.867 . 0 0 "[ . 1 . 2]" 1
560 1 72 GLU H 1 74 LEU H . . 5.000 4.415 4.144 4.669 . 0 0 "[ . 1 . 2]" 1
561 1 72 GLU H 1 75 ARG H . . 5.000 4.826 3.640 4.999 . 0 0 "[ . 1 . 2]" 1
562 1 72 GLU HA 1 75 ARG H . . 5.000 3.564 3.217 4.378 . 0 0 "[ . 1 . 2]" 1
563 1 72 GLU HA 1 75 ARG QB . . 3.300 2.628 2.331 3.303 0.003 12 0 "[ . 1 . 2]" 1
564 1 73 GLU H 1 74 LEU H . . 2.900 2.648 1.896 2.860 . 0 0 "[ . 1 . 2]" 1
565 1 73 GLU H 1 75 ARG H . . 5.000 3.958 2.436 4.389 . 0 0 "[ . 1 . 2]" 1
566 1 73 GLU HA 1 76 SER H . . 5.000 3.802 3.512 4.991 . 0 0 "[ . 1 . 2]" 1
567 1 73 GLU HA 1 76 SER QB . . 5.000 3.194 2.717 4.825 . 0 0 "[ . 1 . 2]" 1
568 1 74 LEU H 1 74 LEU QB . . 2.700 2.174 2.039 2.611 . 0 0 "[ . 1 . 2]" 1
569 1 74 LEU H 1 75 ARG H . . 2.900 2.620 1.972 2.835 . 0 0 "[ . 1 . 2]" 1
570 1 74 LEU H 1 76 SER H . . 5.000 4.478 4.227 4.716 . 0 0 "[ . 1 . 2]" 1
571 1 74 LEU H 1 77 LEU H . . 5.000 4.916 4.786 4.996 . 0 0 "[ . 1 . 2]" 1
572 1 74 LEU HA 1 77 LEU H . . 5.000 3.569 3.128 3.836 . 0 0 "[ . 1 . 2]" 1
573 1 74 LEU HA 1 77 LEU QB . . 3.300 2.563 2.325 2.811 . 0 0 "[ . 1 . 2]" 1
574 1 74 LEU HA 1 78 TYR H . . 5.000 4.179 3.925 4.536 . 0 0 "[ . 1 . 2]" 1
575 1 74 LEU HG 1 78 TYR H . . 5.000 4.652 3.990 5.000 . 0 0 "[ . 1 . 2]" 1
576 1 75 ARG H 1 76 SER H . . 2.900 2.799 2.572 2.895 . 0 0 "[ . 1 . 2]" 1
577 1 75 ARG H 1 77 LEU H . . 5.000 4.042 3.795 4.233 . 0 0 "[ . 1 . 2]" 1
578 1 75 ARG H 1 78 TYR H . . 5.000 4.987 4.963 5.000 0.000 19 0 "[ . 1 . 2]" 1
579 1 75 ARG HA 1 78 TYR H . . 5.000 3.741 3.602 3.891 . 0 0 "[ . 1 . 2]" 1
580 1 75 ARG HA 1 78 TYR QB . . 3.300 3.193 3.003 3.289 . 0 0 "[ . 1 . 2]" 1
581 1 75 ARG HA 1 79 ASN H . . 5.000 4.386 3.971 4.668 . 0 0 "[ . 1 . 2]" 1
582 1 76 SER H 1 77 LEU H . . 2.900 2.763 2.633 2.831 . 0 0 "[ . 1 . 2]" 1
583 1 76 SER H 1 78 TYR H . . 5.000 4.706 4.585 4.976 . 0 0 "[ . 1 . 2]" 1
584 1 76 SER H 1 79 ASN H . . 5.000 4.885 4.786 5.000 0.000 19 0 "[ . 1 . 2]" 1
585 1 76 SER HA 1 79 ASN H . . 5.000 3.615 3.536 3.796 . 0 0 "[ . 1 . 2]" 1
586 1 76 SER HA 1 79 ASN QB . . 3.300 2.478 2.365 2.564 . 0 0 "[ . 1 . 2]" 1
587 1 77 LEU H 1 78 TYR H . . 2.900 2.869 2.813 2.901 0.001 16 0 "[ . 1 . 2]" 1
588 1 77 LEU H 1 79 ASN H . . 5.000 3.867 3.694 3.955 . 0 0 "[ . 1 . 2]" 1
589 1 77 LEU HA 1 77 LEU MD1 . . 2.700 2.117 2.034 2.313 . 0 0 "[ . 1 . 2]" 1
590 1 77 LEU HA 1 80 THR H . . 5.000 3.599 3.316 3.885 . 0 0 "[ . 1 . 2]" 1
591 1 77 LEU HA 1 80 THR HB . . 3.300 3.222 3.115 3.299 . 0 0 "[ . 1 . 2]" 1
592 1 77 LEU HB2 1 78 TYR H . . 2.700 2.694 2.658 2.701 0.001 11 0 "[ . 1 . 2]" 1
593 1 77 LEU HB3 1 78 TYR H . . 2.700 2.605 2.271 2.700 0.000 6 0 "[ . 1 . 2]" 1
594 1 77 LEU MD1 1 81 ILE MD . . 3.300 2.231 1.855 3.301 0.001 11 0 "[ . 1 . 2]" 1
595 1 77 LEU HG 1 81 ILE MD . . 3.300 2.975 1.965 3.301 0.001 20 0 "[ . 1 . 2]" 1
596 1 78 TYR H 1 79 ASN H . . 2.900 2.752 2.709 2.761 . 0 0 "[ . 1 . 2]" 1
597 1 78 TYR H 1 80 THR H . . 5.000 4.682 4.286 4.874 . 0 0 "[ . 1 . 2]" 1
598 1 78 TYR HA 1 81 ILE H . . 5.000 4.052 3.856 4.272 . 0 0 "[ . 1 . 2]" 1
599 1 78 TYR HA 1 81 ILE HB . . 5.000 2.849 2.739 2.963 . 0 0 "[ . 1 . 2]" 1
600 1 78 TYR HD2 1 82 ALA MB . . 5.000 4.215 4.010 4.434 . 0 0 "[ . 1 . 2]" 1
601 1 78 TYR HD2 1 100 LEU MD2 . . 3.300 2.192 1.899 2.830 . 0 0 "[ . 1 . 2]" 1
602 1 78 TYR HE2 1 82 ALA MB . . 5.000 4.503 4.036 4.782 . 0 0 "[ . 1 . 2]" 1
603 1 78 TYR HE2 1 100 LEU MD2 . . 3.300 2.281 1.954 3.157 . 0 0 "[ . 1 . 2]" 1
604 1 79 ASN H 1 80 THR H . . 2.900 2.706 2.524 2.793 . 0 0 "[ . 1 . 2]" 1
605 1 79 ASN H 1 81 ILE H . . 5.000 4.178 4.065 4.399 . 0 0 "[ . 1 . 2]" 1
606 1 79 ASN HA 1 82 ALA H . . 5.000 3.813 3.739 3.958 . 0 0 "[ . 1 . 2]" 1
607 1 79 ASN HA 1 82 ALA MB . . 3.300 2.719 2.617 2.816 . 0 0 "[ . 1 . 2]" 1
608 1 79 ASN HA 1 83 VAL H . . 5.000 4.472 4.222 4.997 . 0 0 "[ . 1 . 2]" 1
609 1 79 ASN HA 1 96 THR MG . . 5.000 2.170 1.941 2.603 . 0 0 "[ . 1 . 2]" 1
610 1 79 ASN HA 1 100 LEU MD2 . . 3.300 3.065 2.452 3.300 0.000 2 0 "[ . 1 . 2]" 1
611 1 79 ASN QB 1 96 THR MG . . 3.300 2.183 1.947 2.668 . 0 0 "[ . 1 . 2]" 1
612 1 80 THR H 1 80 THR HB . . 2.700 2.614 2.568 2.668 . 0 0 "[ . 1 . 2]" 1
613 1 80 THR H 1 81 ILE H . . 2.900 2.801 2.654 2.892 . 0 0 "[ . 1 . 2]" 1
614 1 80 THR H 1 82 ALA H . . 5.000 3.984 3.724 4.224 . 0 0 "[ . 1 . 2]" 1
615 1 80 THR HA 1 80 THR MG . . 2.700 2.391 2.315 2.404 . 0 0 "[ . 1 . 2]" 1
616 1 80 THR HA 1 83 VAL H . . 5.000 3.592 3.414 3.737 . 0 0 "[ . 1 . 2]" 1
617 1 80 THR HA 1 83 VAL HB . . 3.300 3.278 3.121 3.301 0.001 18 0 "[ . 1 . 2]" 1
618 1 80 THR HB 1 81 ILE H . . 2.700 2.300 2.183 2.375 . 0 0 "[ . 1 . 2]" 1
619 1 81 ILE H 1 81 ILE HB . . 2.700 2.604 2.588 2.610 . 0 0 "[ . 1 . 2]" 1
620 1 81 ILE H 1 82 ALA H . . 2.900 2.766 2.699 2.833 . 0 0 "[ . 1 . 2]" 1
621 1 81 ILE HA 1 81 ILE MG . . 2.700 2.372 2.316 2.391 . 0 0 "[ . 1 . 2]" 1
622 1 81 ILE HA 1 84 LEU H . . 5.000 3.595 3.289 3.824 . 0 0 "[ . 1 . 2]" 1
623 1 81 ILE HA 1 84 LEU QB . . 3.300 2.736 2.526 2.905 . 0 0 "[ . 1 . 2]" 1
624 1 81 ILE HA 1 85 TYR H . . 5.000 3.800 3.361 4.062 . 0 0 "[ . 1 . 2]" 1
625 1 81 ILE HB 1 82 ALA H . . 3.300 2.814 2.562 2.989 . 0 0 "[ . 1 . 2]" 1
626 1 82 ALA H 1 83 VAL H . . 2.900 2.768 2.509 2.898 . 0 0 "[ . 1 . 2]" 1
627 1 82 ALA H 1 84 LEU H . . 5.000 3.998 3.821 4.242 . 0 0 "[ . 1 . 2]" 1
628 1 82 ALA HA 1 85 TYR H . . 5.000 3.706 3.490 4.054 . 0 0 "[ . 1 . 2]" 1
629 1 82 ALA HA 1 85 TYR QB . . 3.300 2.841 2.584 3.121 . 0 0 "[ . 1 . 2]" 1
630 1 82 ALA HA 1 103 ILE MD . . 2.700 2.561 2.396 2.699 . 0 0 "[ . 1 . 2]" 1
631 1 82 ALA MB 1 99 ALA MB . . 5.000 2.276 1.937 2.715 . 0 0 "[ . 1 . 2]" 1
632 1 82 ALA MB 1 100 LEU HA . . 5.000 3.402 3.027 3.692 . 0 0 "[ . 1 . 2]" 1
633 1 82 ALA MB 1 100 LEU MD2 . . 2.700 2.231 1.853 2.696 . 0 0 "[ . 1 . 2]" 1
634 1 82 ALA MB 1 103 ILE MD . . 3.300 2.505 2.251 3.086 . 0 0 "[ . 1 . 2]" 1
635 1 83 VAL H 1 83 VAL HB . . 2.700 2.580 2.501 2.640 . 0 0 "[ . 1 . 2]" 1
636 1 83 VAL H 1 83 VAL MG2 . . 3.300 2.265 2.165 2.528 . 0 0 "[ . 1 . 2]" 1
637 1 83 VAL H 1 84 LEU H . . 2.900 2.701 2.327 2.851 . 0 0 "[ . 1 . 2]" 1
638 1 83 VAL H 1 85 TYR H . . 5.000 4.402 4.014 4.618 . 0 0 "[ . 1 . 2]" 1
639 1 83 VAL H 1 99 ALA MB . . 5.000 3.656 3.395 3.996 . 0 0 "[ . 1 . 2]" 1
640 1 83 VAL HA 1 83 VAL MG1 . . 2.700 2.382 2.345 2.401 . 0 0 "[ . 1 . 2]" 1
641 1 83 VAL HA 1 83 VAL MG2 . . 2.700 2.299 2.282 2.365 . 0 0 "[ . 1 . 2]" 1
642 1 83 VAL HA 1 86 CYS H . . 5.000 3.825 3.625 3.957 . 0 0 "[ . 1 . 2]" 1
643 1 83 VAL HA 1 86 CYS QB . . 3.300 2.894 2.601 3.161 . 0 0 "[ . 1 . 2]" 1
644 1 83 VAL HA 1 93 VAL MG2 . . 5.000 3.147 2.879 3.509 . 0 0 "[ . 1 . 2]" 1
645 1 83 VAL HA 1 99 ALA MB . . 2.700 2.641 2.534 2.701 0.001 2 0 "[ . 1 . 2]" 1
646 1 83 VAL HB 1 84 LEU H . . 2.700 2.668 2.400 2.700 0.000 7 0 "[ . 1 . 2]" 1
647 1 83 VAL MG1 1 87 VAL MG2 . . 5.000 2.799 2.319 3.062 . 0 0 "[ . 1 . 2]" 1
648 1 83 VAL MG1 1 93 VAL MG2 . . 5.000 2.857 2.325 3.098 . 0 0 "[ . 1 . 2]" 1
649 1 83 VAL MG2 1 96 THR HA . . 2.700 2.128 1.951 2.513 . 0 0 "[ . 1 . 2]" 1
650 1 83 VAL MG2 1 99 ALA MB . . 3.300 2.610 2.417 2.799 . 0 0 "[ . 1 . 2]" 1
651 1 84 LEU H 1 84 LEU HB2 . . 2.700 2.214 2.042 2.398 . 0 0 "[ . 1 . 2]" 1
652 1 84 LEU H 1 85 TYR H . . 2.900 2.705 2.588 2.834 . 0 0 "[ . 1 . 2]" 1
653 1 84 LEU H 1 86 CYS H . . 5.000 4.243 4.051 4.618 . 0 0 "[ . 1 . 2]" 1
654 1 84 LEU HA 1 84 LEU MD1 . . 3.300 2.650 1.968 3.285 . 0 0 "[ . 1 . 2]" 1
655 1 84 LEU HA 1 87 VAL H . . 5.000 3.532 3.383 3.641 . 0 0 "[ . 1 . 2]" 1
656 1 84 LEU HA 1 87 VAL HB . . 3.300 3.131 2.834 3.300 . 0 0 "[ . 1 . 2]" 1
657 1 84 LEU HA 1 88 HIS H . . 5.000 4.621 4.061 4.944 . 0 0 "[ . 1 . 2]" 1
658 1 84 LEU HB3 1 85 TYR H . . 3.300 2.399 2.231 2.683 . 0 0 "[ . 1 . 2]" 1
659 1 84 LEU MD2 1 88 HIS HD2 . . 5.000 3.287 2.617 4.219 . 0 0 "[ . 1 . 2]" 1
660 1 84 LEU MD2 1 88 HIS HE1 . . 5.000 4.011 3.432 4.456 . 0 0 "[ . 1 . 2]" 1
661 1 84 LEU HG 1 87 VAL MG1 . . 5.000 4.733 4.405 4.984 . 0 0 "[ . 1 . 2]" 1
662 1 84 LEU HG 1 88 HIS HD2 . . 5.000 4.328 3.361 5.000 0.000 12 0 "[ . 1 . 2]" 1
663 1 85 TYR H 1 85 TYR HB2 . . 2.700 2.607 2.477 2.656 . 0 0 "[ . 1 . 2]" 1
664 1 85 TYR H 1 85 TYR HB3 . . 2.700 2.457 2.407 2.588 . 0 0 "[ . 1 . 2]" 1
665 1 85 TYR H 1 86 CYS H . . 2.900 2.867 2.802 2.900 0.000 15 0 "[ . 1 . 2]" 1
666 1 85 TYR H 1 87 VAL H . . 5.000 4.175 3.960 4.500 . 0 0 "[ . 1 . 2]" 1
667 1 85 TYR HA 1 88 HIS H . . 5.000 3.380 3.214 3.602 . 0 0 "[ . 1 . 2]" 1
668 1 85 TYR HA 1 88 HIS QB . . 3.300 2.930 2.407 3.256 . 0 0 "[ . 1 . 2]" 1
669 1 85 TYR HA 1 88 HIS HD2 . . 3.300 3.259 3.063 3.301 0.001 15 0 "[ . 1 . 2]" 1
670 1 85 TYR HA 1 89 GLN H . . 5.000 4.531 4.098 4.914 . 0 0 "[ . 1 . 2]" 1
671 1 85 TYR HB3 1 86 CYS H . . 2.700 2.479 2.319 2.698 . 0 0 "[ . 1 . 2]" 1
672 1 85 TYR QD 1 86 CYS H . . 3.300 3.186 2.963 3.270 . 0 0 "[ . 1 . 2]" 1
673 1 85 TYR QD 1 89 GLN H . . 5.000 4.933 4.703 5.001 0.001 20 0 "[ . 1 . 2]" 1
674 1 85 TYR QD 1 103 ILE MD . . 2.700 2.290 1.997 2.686 . 0 0 "[ . 1 . 2]" 1
675 1 86 CYS H 1 87 VAL H . . 2.900 2.774 2.617 2.900 0.000 18 0 "[ . 1 . 2]" 1
676 1 86 CYS H 1 88 HIS H . . 5.000 4.307 4.093 4.398 . 0 0 "[ . 1 . 2]" 1
677 1 86 CYS H 1 103 ILE MD . . 5.000 3.824 3.353 4.415 . 0 0 "[ . 1 . 2]" 1
678 1 86 CYS HA 1 89 GLN H . . 5.000 3.376 3.166 3.718 . 0 0 "[ . 1 . 2]" 1
679 1 86 CYS HA 1 89 GLN QB . . 3.300 2.720 2.473 3.075 . 0 0 "[ . 1 . 2]" 1
680 1 86 CYS HA 1 91 ILE H . . 5.000 3.866 3.571 4.247 . 0 0 "[ . 1 . 2]" 1
681 1 86 CYS HA 1 91 ILE HB . . 2.700 2.669 2.603 2.700 0.000 18 0 "[ . 1 . 2]" 1
682 1 86 CYS HA 1 91 ILE MD . . 3.300 2.293 1.980 2.783 . 0 0 "[ . 1 . 2]" 1
683 1 86 CYS HA 1 103 ILE MD . . 5.000 4.578 4.016 4.992 . 0 0 "[ . 1 . 2]" 1
684 1 86 CYS HB2 1 99 ALA MB . . 5.000 3.174 2.648 3.677 . 0 0 "[ . 1 . 2]" 1
685 1 86 CYS HB3 1 91 ILE H . . 5.000 4.145 3.755 4.325 . 0 0 "[ . 1 . 2]" 1
686 1 86 CYS HB3 1 91 ILE HB . . 2.700 2.075 1.998 2.342 . 0 0 "[ . 1 . 2]" 1
687 1 86 CYS HB3 1 91 ILE MD . . 5.000 3.381 3.099 3.672 . 0 0 "[ . 1 . 2]" 1
688 1 86 CYS HB3 1 91 ILE MG . . 5.000 2.626 2.374 2.899 . 0 0 "[ . 1 . 2]" 1
689 1 86 CYS HB3 1 93 VAL MG1 . . 3.300 3.201 2.714 3.301 0.001 18 0 "[ . 1 . 2]" 1
690 1 87 VAL H 1 87 VAL HB . . 2.700 2.575 2.516 2.646 . 0 0 "[ . 1 . 2]" 1
691 1 87 VAL H 1 87 VAL MG2 . . 2.700 2.208 2.106 2.324 . 0 0 "[ . 1 . 2]" 1
692 1 87 VAL H 1 88 HIS H . . 2.900 2.639 2.486 2.785 . 0 0 "[ . 1 . 2]" 1
693 1 87 VAL H 1 89 GLN H . . 5.000 3.931 3.789 4.227 . 0 0 "[ . 1 . 2]" 1
694 1 87 VAL HA 1 87 VAL MG1 . . 2.700 2.281 2.211 2.372 . 0 0 "[ . 1 . 2]" 1
695 1 87 VAL HA 1 87 VAL MG2 . . 2.700 2.378 2.338 2.409 . 0 0 "[ . 1 . 2]" 1
696 1 87 VAL HA 1 90 ARG H . . 5.000 4.448 4.233 4.592 . 0 0 "[ . 1 . 2]" 1
697 1 87 VAL HB 1 88 HIS H . . 2.700 2.619 2.444 2.702 0.002 18 0 "[ . 1 . 2]" 1
698 1 88 HIS H 1 89 GLN H . . 2.900 2.590 2.476 2.876 . 0 0 "[ . 1 . 2]" 1
699 1 88 HIS H 1 90 ARG H . . 5.000 4.705 4.387 5.004 0.004 18 0 "[ . 1 . 2]" 1
700 1 88 HIS HB2 1 88 HIS HD2 . . 3.300 2.799 2.740 2.830 . 0 0 "[ . 1 . 2]" 1
701 1 89 GLN H 1 90 ARG H . . 2.900 2.754 2.663 2.900 0.000 6 0 "[ . 1 . 2]" 1
702 1 89 GLN H 1 91 ILE H . . 5.000 3.827 3.083 4.610 . 0 0 "[ . 1 . 2]" 1
703 1 89 GLN HB3 1 91 ILE MD . . 3.300 2.580 2.256 3.150 . 0 0 "[ . 1 . 2]" 1
704 1 90 ARG H 1 91 ILE H . . 2.700 2.301 1.898 2.700 . 0 0 "[ . 1 . 2]" 1
705 1 91 ILE H 1 91 ILE HB . . 2.700 2.644 2.531 2.704 0.004 18 0 "[ . 1 . 2]" 1
706 1 91 ILE H 1 91 ILE MD . . 5.000 3.200 2.104 4.117 . 0 0 "[ . 1 . 2]" 1
707 1 91 ILE HA 1 92 ASP H . . 2.700 2.173 2.138 2.251 . 0 0 "[ . 1 . 2]" 1
708 1 91 ILE MG 1 92 ASP H . . 2.700 2.446 2.064 2.698 . 0 0 "[ . 1 . 2]" 1
709 1 91 ILE MG 1 93 VAL QG . . 5.000 1.969 1.768 2.330 . 0 0 "[ . 1 . 2]" 1
710 1 91 ILE MG 1 102 LYS QB . . 5.000 2.983 2.369 3.810 . 0 0 "[ . 1 . 2]" 1
711 1 92 ASP HA 1 93 VAL H . . 2.700 2.390 2.141 2.631 . 0 0 "[ . 1 . 2]" 1
712 1 93 VAL H 1 93 VAL MG1 . . 3.300 2.548 2.095 3.078 . 0 0 "[ . 1 . 2]" 1
713 1 93 VAL H 1 93 VAL MG2 . . 3.300 2.200 1.968 2.403 . 0 0 "[ . 1 . 2]" 1
714 1 93 VAL HA 1 93 VAL HB . . 2.700 2.459 2.418 2.501 . 0 0 "[ . 1 . 2]" 1
715 1 93 VAL HA 1 94 LYS H . . 2.700 2.433 2.236 2.613 . 0 0 "[ . 1 . 2]" 1
716 1 93 VAL HA 1 95 ASP H . . 5.000 4.262 3.929 4.709 . 0 0 "[ . 1 . 2]" 1
717 1 93 VAL HB 1 94 LYS H . . 3.300 2.341 1.972 2.838 . 0 0 "[ . 1 . 2]" 1
718 1 93 VAL HB 1 95 ASP H . . 3.300 2.777 2.546 3.232 . 0 0 "[ . 1 . 2]" 1
719 1 93 VAL HB 1 99 ALA H . . 3.300 3.199 2.934 3.300 . 0 0 "[ . 1 . 2]" 1
720 1 93 VAL HB 1 99 ALA HA . . 5.000 3.986 3.721 4.357 . 0 0 "[ . 1 . 2]" 1
721 1 93 VAL HB 1 99 ALA MB . . 5.000 3.506 3.203 3.804 . 0 0 "[ . 1 . 2]" 1
722 1 93 VAL MG1 1 99 ALA HA . . 2.700 2.093 1.903 2.277 . 0 0 "[ . 1 . 2]" 1
723 1 94 LYS H 1 95 ASP H . . 2.700 2.159 1.900 2.463 . 0 0 "[ . 1 . 2]" 1
724 1 95 ASP H 1 99 ALA H . . 5.000 4.233 3.972 4.474 . 0 0 "[ . 1 . 2]" 1
725 1 95 ASP HA 1 95 ASP HB2 . . 2.700 2.578 2.490 2.629 . 0 0 "[ . 1 . 2]" 1
726 1 95 ASP HA 1 95 ASP HB3 . . 2.700 2.347 2.310 2.419 . 0 0 "[ . 1 . 2]" 1
727 1 95 ASP HA 1 96 THR H . . 2.700 2.546 2.358 2.639 . 0 0 "[ . 1 . 2]" 1
728 1 95 ASP HB2 1 97 LYS H . . 3.300 2.595 2.404 3.058 . 0 0 "[ . 1 . 2]" 1
729 1 95 ASP HB2 1 98 GLU H . . 5.000 3.818 3.570 4.212 . 0 0 "[ . 1 . 2]" 1
730 1 95 ASP OD1 1 98 GLU H . . 2.000 2.081 1.819 3.844 1.844 9 2 "[- . +1 . 2]" 1
731 1 95 ASP OD1 1 98 GLU N . . 3.000 2.974 2.750 4.731 1.731 9 2 "[- . +1 . 2]" 1
732 1 96 THR H 1 96 THR HB . . 3.300 2.565 2.488 2.680 . 0 0 "[ . 1 . 2]" 1
733 1 96 THR H 1 97 LYS H . . 2.900 2.518 2.342 2.705 . 0 0 "[ . 1 . 2]" 1
734 1 96 THR H 1 98 GLU H . . 5.000 4.358 4.150 4.705 . 0 0 "[ . 1 . 2]" 1
735 1 96 THR HA 1 99 ALA H . . 5.000 3.436 3.187 3.712 . 0 0 "[ . 1 . 2]" 1
736 1 96 THR HA 1 99 ALA MB . . 3.300 2.543 2.234 3.056 . 0 0 "[ . 1 . 2]" 1
737 1 96 THR HB 1 97 LYS H . . 3.300 2.831 2.506 3.004 . 0 0 "[ . 1 . 2]" 1
738 1 97 LYS H 1 98 GLU H . . 2.900 2.756 2.604 2.894 . 0 0 "[ . 1 . 2]" 1
739 1 97 LYS H 1 99 ALA H . . 5.000 4.204 3.975 4.426 . 0 0 "[ . 1 . 2]" 1
740 1 97 LYS H 1 100 LEU H . . 5.000 4.883 4.703 4.970 . 0 0 "[ . 1 . 2]" 1
741 1 97 LYS HA 1 100 LEU H . . 5.000 3.626 3.361 3.903 . 0 0 "[ . 1 . 2]" 1
742 1 97 LYS HA 1 100 LEU QB . . 3.300 2.948 2.333 3.227 . 0 0 "[ . 1 . 2]" 1
743 1 97 LYS HA 1 101 ASP H . . 5.000 4.599 4.348 4.996 . 0 0 "[ . 1 . 2]" 1
744 1 98 GLU H 1 99 ALA H . . 2.900 2.694 2.479 2.868 . 0 0 "[ . 1 . 2]" 1
745 1 98 GLU H 1 100 LEU H . . 5.000 4.078 3.832 4.422 . 0 0 "[ . 1 . 2]" 1
746 1 98 GLU H 1 101 ASP H . . 5.000 4.911 4.702 4.999 . 0 0 "[ . 1 . 2]" 1
747 1 98 GLU HA 1 101 ASP H . . 5.000 3.379 3.185 3.663 . 0 0 "[ . 1 . 2]" 1
748 1 98 GLU HA 1 101 ASP QB . . 3.300 2.834 2.570 3.268 . 0 0 "[ . 1 . 2]" 1
749 1 99 ALA H 1 100 LEU H . . 2.900 2.714 2.574 2.855 . 0 0 "[ . 1 . 2]" 1
750 1 99 ALA H 1 101 ASP H . . 5.000 4.298 3.970 4.511 . 0 0 "[ . 1 . 2]" 1
751 1 99 ALA H 1 102 LYS H . . 5.000 4.909 4.731 4.995 . 0 0 "[ . 1 . 2]" 1
752 1 99 ALA HA 1 102 LYS H . . 5.000 3.559 3.319 3.723 . 0 0 "[ . 1 . 2]" 1
753 1 99 ALA HA 1 102 LYS QB . . 3.300 2.758 2.354 3.119 . 0 0 "[ . 1 . 2]" 1
754 1 100 LEU H 1 101 ASP H . . 2.900 2.578 2.445 2.839 . 0 0 "[ . 1 . 2]" 1
755 1 100 LEU H 1 102 LYS H . . 5.000 4.012 3.765 4.328 . 0 0 "[ . 1 . 2]" 1
756 1 100 LEU HA 1 100 LEU MD2 . . 2.700 2.189 2.013 2.467 . 0 0 "[ . 1 . 2]" 1
757 1 100 LEU HA 1 103 ILE H . . 5.000 3.624 3.123 3.920 . 0 0 "[ . 1 . 2]" 1
758 1 100 LEU HA 1 103 ILE HB . . 3.300 3.145 2.741 3.308 0.008 16 0 "[ . 1 . 2]" 1
759 1 100 LEU HA 1 104 GLU H . . 5.000 4.156 3.885 4.995 . 0 0 "[ . 1 . 2]" 1
760 1 101 ASP H 1 102 LYS H . . 2.900 2.615 2.308 2.733 . 0 0 "[ . 1 . 2]" 1
761 1 101 ASP H 1 103 ILE H . . 5.000 4.338 3.590 4.766 . 0 0 "[ . 1 . 2]" 1
762 1 101 ASP H 1 104 GLU H . . 5.000 4.746 4.594 5.002 0.002 16 0 "[ . 1 . 2]" 1
763 1 101 ASP HA 1 104 GLU H . . 5.000 3.554 3.342 3.805 . 0 0 "[ . 1 . 2]" 1
764 1 101 ASP HA 1 104 GLU QB . . 3.300 2.565 2.251 3.304 0.004 16 0 "[ . 1 . 2]" 1
765 1 102 LYS H 1 103 ILE H . . 2.900 2.695 2.382 2.891 . 0 0 "[ . 1 . 2]" 1
766 1 102 LYS H 1 104 GLU H . . 5.000 3.936 3.628 4.448 . 0 0 "[ . 1 . 2]" 1
767 1 102 LYS H 1 105 GLU H . . 5.000 4.755 4.512 5.002 0.002 16 0 "[ . 1 . 2]" 1
768 1 102 LYS HA 1 105 GLU H . . 5.000 3.591 3.136 3.859 . 0 0 "[ . 1 . 2]" 1
769 1 102 LYS HA 1 105 GLU QB . . 3.300 2.936 2.590 3.221 . 0 0 "[ . 1 . 2]" 1
770 1 103 ILE H 1 104 GLU H . . 2.900 2.614 2.431 2.775 . 0 0 "[ . 1 . 2]" 1
771 1 103 ILE H 1 105 GLU H . . 5.000 4.189 3.775 4.733 . 0 0 "[ . 1 . 2]" 1
772 1 103 ILE H 1 106 GLU H . . 5.000 4.883 4.709 4.996 . 0 0 "[ . 1 . 2]" 1
773 1 103 ILE HA 1 106 GLU H . . 5.000 3.522 3.282 3.804 . 0 0 "[ . 1 . 2]" 1
774 1 103 ILE HA 1 106 GLU QB . . 3.300 2.769 2.367 3.204 . 0 0 "[ . 1 . 2]" 1
775 1 104 GLU H 1 105 GLU H . . 2.900 2.583 2.374 2.766 . 0 0 "[ . 1 . 2]" 1
776 1 104 GLU H 1 106 GLU H . . 5.000 4.090 3.845 4.326 . 0 0 "[ . 1 . 2]" 1
777 1 104 GLU H 1 107 GLN H . . 5.000 4.856 4.702 4.957 . 0 0 "[ . 1 . 2]" 1
778 1 104 GLU HA 1 107 GLN H . . 5.000 3.580 3.323 3.802 . 0 0 "[ . 1 . 2]" 1
779 1 104 GLU HA 1 107 GLN QB . . 3.300 2.890 2.404 3.109 . 0 0 "[ . 1 . 2]" 1
780 1 105 GLU H 1 106 GLU H . . 2.900 2.588 2.406 2.774 . 0 0 "[ . 1 . 2]" 1
781 1 105 GLU H 1 107 GLN H . . 5.000 4.043 3.771 4.362 . 0 0 "[ . 1 . 2]" 1
782 1 105 GLU H 1 108 ASN H . . 5.000 4.744 4.534 4.953 . 0 0 "[ . 1 . 2]" 1
783 1 105 GLU HA 1 108 ASN H . . 5.000 3.385 3.106 3.752 . 0 0 "[ . 1 . 2]" 1
784 1 105 GLU HA 1 108 ASN QB . . 3.300 2.611 2.214 3.211 . 0 0 "[ . 1 . 2]" 1
785 1 106 GLU H 1 107 GLN H . . 2.900 2.619 2.336 2.777 . 0 0 "[ . 1 . 2]" 1
786 1 106 GLU H 1 108 ASN H . . 5.000 4.084 3.834 4.308 . 0 0 "[ . 1 . 2]" 1
787 1 107 GLN H 1 108 ASN H . . 2.900 2.485 2.269 2.703 . 0 0 "[ . 1 . 2]" 1
788 1 107 GLN H 1 109 LYS H . . 5.000 4.127 3.848 4.443 . 0 0 "[ . 1 . 2]" 1
789 1 107 GLN HA 1 110 SER QB . . 3.300 2.870 2.110 3.231 . 0 0 "[ . 1 . 2]" 1
790 1 108 ASN H 1 109 LYS H . . 2.900 2.694 2.504 2.855 . 0 0 "[ . 1 . 2]" 1
791 1 108 ASN H 1 110 SER H . . 5.000 4.139 3.790 4.324 . 0 0 "[ . 1 . 2]" 1
792 1 108 ASN HA 1 111 LYS QB . . 3.300 2.693 2.022 3.200 . 0 0 "[ . 1 . 2]" 1
793 1 109 LYS H 1 110 SER H . . 2.900 2.591 2.291 2.767 . 0 0 "[ . 1 . 2]" 1
794 1 109 LYS H 1 111 LYS H . . 5.000 4.091 3.897 4.397 . 0 0 "[ . 1 . 2]" 1
795 1 110 SER H 1 111 LYS H . . 2.900 2.596 2.271 2.839 . 0 0 "[ . 1 . 2]" 1
796 1 110 SER H 1 112 LYS H . . 5.000 4.281 3.891 4.968 . 0 0 "[ . 1 . 2]" 1
797 1 110 SER HA 1 113 LYS QB . . 3.300 3.004 2.282 3.285 . 0 0 "[ . 1 . 2]" 1
798 1 111 LYS H 1 112 LYS H . . 2.900 2.539 2.020 2.790 . 0 0 "[ . 1 . 2]" 1
799 1 111 LYS H 1 113 LYS H . . 5.000 3.980 3.088 4.455 . 0 0 "[ . 1 . 2]" 1
800 1 111 LYS HA 1 114 ALA MB . . 3.300 2.820 2.198 3.284 . 0 0 "[ . 1 . 2]" 1
801 1 112 LYS H 1 113 LYS H . . 2.900 2.585 2.391 2.875 . 0 0 "[ . 1 . 2]" 1
802 1 112 LYS H 1 114 ALA H . . 5.000 4.234 3.844 4.835 . 0 0 "[ . 1 . 2]" 1
803 1 113 LYS H 1 114 ALA H . . 2.900 2.654 2.064 2.888 . 0 0 "[ . 1 . 2]" 1
804 1 113 LYS H 1 115 GLN H . . 5.000 4.382 3.763 4.973 . 0 0 "[ . 1 . 2]" 1
805 1 114 ALA H 1 115 GLN H . . 2.900 2.432 1.921 2.891 . 0 0 "[ . 1 . 2]" 1
806 1 114 ALA H 1 116 GLN H . . 5.000 4.345 2.882 4.877 . 0 0 "[ . 1 . 2]" 1
807 1 115 GLN H 1 116 GLN H . . 2.900 2.548 1.944 2.838 . 0 0 "[ . 1 . 2]" 1
808 1 115 GLN H 1 117 ALA H . . 5.000 4.521 3.556 4.983 . 0 0 "[ . 1 . 2]" 1
809 1 115 GLN HA 1 118 ALA MB . . 3.800 3.365 2.106 3.847 0.047 20 0 "[ . 1 . 2]" 1
810 1 116 GLN H 1 117 ALA H . . 2.900 2.581 2.143 2.894 . 0 0 "[ . 1 . 2]" 1
811 1 116 GLN H 1 118 ALA H . . 5.000 4.100 3.045 4.618 . 0 0 "[ . 1 . 2]" 1
812 1 116 GLN HA 1 119 ALA MB . . 3.800 3.459 2.397 4.055 0.255 20 0 "[ . 1 . 2]" 1
813 1 117 ALA H 1 118 ALA H . . 2.900 2.518 1.917 2.876 . 0 0 "[ . 1 . 2]" 1
814 1 117 ALA HA 1 120 ASP QB . . 5.000 4.339 2.586 5.000 0.000 7 0 "[ . 1 . 2]" 1
815 1 118 ALA HA 1 121 THR MG . . 5.000 4.232 2.906 5.000 . 7 0 "[ . 1 . 2]" 1
816 1 119 ALA H 1 121 THR H . . 5.000 4.302 3.109 4.970 . 0 0 "[ . 1 . 2]" 1
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