NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
393541 |
1qqi   |
4421 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1qqi
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 1549
_Distance_constraint_stats_list.Viol_count 28
_Distance_constraint_stats_list.Viol_total 0.888
_Distance_constraint_stats_list.Viol_max 0.110
_Distance_constraint_stats_list.Viol_rms 0.0056
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0317
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 VAL 0.000 0.000 . 0 "[ ]"
1 4 GLU 0.000 0.000 . 0 "[ ]"
1 5 GLU 0.004 0.004 1 0 "[ ]"
1 6 VAL 0.004 0.004 1 0 "[ ]"
1 7 ILE 0.000 0.000 . 0 "[ ]"
1 8 GLU 0.000 0.000 . 0 "[ ]"
1 9 MET 0.000 0.000 . 0 "[ ]"
1 10 GLN 0.004 0.004 1 0 "[ ]"
1 11 GLY 0.031 0.031 1 0 "[ ]"
1 12 LEU 0.031 0.031 1 0 "[ ]"
1 13 SER 0.013 0.013 1 0 "[ ]"
1 14 LEU 0.000 0.000 . 0 "[ ]"
1 15 ASP 0.000 0.000 . 0 "[ ]"
1 16 PRO 0.000 0.000 . 0 "[ ]"
1 17 THR 0.000 0.000 . 0 "[ ]"
1 18 SER 0.000 0.000 . 0 "[ ]"
1 19 HIS 0.000 0.000 . 0 "[ ]"
1 20 ARG 0.000 0.000 . 0 "[ ]"
1 21 VAL 0.013 0.013 1 0 "[ ]"
1 22 MET 0.003 0.003 1 0 "[ ]"
1 23 ALA 0.000 0.000 . 0 "[ ]"
1 24 GLY 0.027 0.027 1 0 "[ ]"
1 25 GLU 0.083 0.083 1 0 "[ ]"
1 26 GLU 0.113 0.083 1 0 "[ ]"
1 27 PRO 0.000 0.000 . 0 "[ ]"
1 28 LEU 0.000 0.000 . 0 "[ ]"
1 29 GLU 0.000 0.000 . 0 "[ ]"
1 30 MET 0.000 0.000 . 0 "[ ]"
1 31 GLY 0.000 0.000 . 0 "[ ]"
1 32 PRO 0.000 0.000 . 0 "[ ]"
1 33 THR 0.008 0.008 1 0 "[ ]"
1 34 GLU 0.021 0.021 1 0 "[ ]"
1 35 PHE 0.021 0.021 1 0 "[ ]"
1 36 LYS 0.000 0.000 . 0 "[ ]"
1 37 LEU 0.000 0.000 . 0 "[ ]"
1 38 LEU 0.025 0.020 1 0 "[ ]"
1 39 HIS 0.025 0.020 1 0 "[ ]"
1 40 PHE 0.034 0.034 1 0 "[ ]"
1 41 PHE 0.000 0.000 . 0 "[ ]"
1 42 MET 0.000 0.000 . 0 "[ ]"
1 43 THR 0.051 0.051 1 0 "[ ]"
1 44 HIS 0.084 0.051 1 0 "[ ]"
1 45 PRO 0.000 0.000 . 0 "[ ]"
1 46 GLU 0.000 0.000 . 0 "[ ]"
1 47 ARG 0.000 0.000 . 0 "[ ]"
1 48 VAL 0.000 0.000 . 0 "[ ]"
1 49 TYR 0.000 0.000 . 0 "[ ]"
1 50 SER 0.000 0.000 . 0 "[ ]"
1 51 ARG 0.000 0.000 . 0 "[ ]"
1 52 GLU 0.043 0.043 1 0 "[ ]"
1 53 GLN 0.000 0.000 . 0 "[ ]"
1 54 LEU 0.000 0.000 . 0 "[ ]"
1 55 LEU 0.220 0.110 1 0 "[ ]"
1 56 ASN 0.052 0.036 1 0 "[ ]"
1 57 HIS 0.120 0.068 1 0 "[ ]"
1 58 VAL 0.000 0.000 . 0 "[ ]"
1 59 TRP 0.147 0.110 1 0 "[ ]"
1 60 GLY 0.000 0.000 . 0 "[ ]"
1 61 THR 0.032 0.032 1 0 "[ ]"
1 62 ASN 0.000 0.000 . 0 "[ ]"
1 63 VAL 0.000 0.000 . 0 "[ ]"
1 64 TYR 0.000 0.000 . 0 "[ ]"
1 65 VAL 0.097 0.097 1 0 "[ ]"
1 66 GLU 0.000 0.000 . 0 "[ ]"
1 67 ASP 0.000 0.000 . 0 "[ ]"
1 68 ARG 0.000 0.000 . 0 "[ ]"
1 69 THR 0.033 0.033 1 0 "[ ]"
1 70 VAL 0.000 0.000 . 0 "[ ]"
1 71 ASP 0.000 0.000 . 0 "[ ]"
1 72 VAL 0.033 0.033 1 0 "[ ]"
1 73 HIS 0.046 0.037 1 0 "[ ]"
1 74 ILE 0.000 0.000 . 0 "[ ]"
1 75 ARG 0.000 0.000 . 0 "[ ]"
1 76 ARG 0.000 0.000 . 0 "[ ]"
1 77 LEU 0.000 0.000 . 0 "[ ]"
1 78 ARG 0.000 0.000 . 0 "[ ]"
1 79 LYS 0.000 0.000 . 0 "[ ]"
1 80 ALA 0.000 0.000 . 0 "[ ]"
1 81 LEU 0.018 0.018 1 0 "[ ]"
1 82 GLU 0.000 0.000 . 0 "[ ]"
1 83 PRO 0.000 0.000 . 0 "[ ]"
1 84 GLY 0.000 0.000 . 0 "[ ]"
1 85 GLY 0.000 0.000 . 0 "[ ]"
1 86 HIS 0.004 0.004 1 0 "[ ]"
1 87 ASP 0.018 0.018 1 0 "[ ]"
1 88 ARG 0.000 0.000 . 0 "[ ]"
1 89 MET 0.014 0.014 1 0 "[ ]"
1 90 VAL 0.027 0.027 1 0 "[ ]"
1 91 GLN 0.045 0.045 1 0 "[ ]"
1 92 THR 0.011 0.011 1 0 "[ ]"
1 93 VAL 0.000 0.000 . 0 "[ ]"
1 94 ARG 0.000 0.000 . 0 "[ ]"
1 95 GLY 0.000 0.000 . 0 "[ ]"
1 96 THR 0.000 0.000 . 0 "[ ]"
1 97 GLY 0.000 0.000 . 0 "[ ]"
1 98 TYR 0.056 0.045 1 0 "[ ]"
1 99 ARG 0.000 0.000 . 0 "[ ]"
1 100 PHE 0.027 0.027 1 0 "[ ]"
1 101 SER 0.014 0.014 1 0 "[ ]"
1 102 THR 0.000 0.000 . 0 "[ ]"
1 103 ARG 0.000 0.000 . 0 "[ ]"
1 104 PHE 0.000 0.000 . 0 "[ ]"
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 4 GLU H 1 4 GLU QB . . 5.000 3.299 3.299 3.299 . 0 0 "[ ]" 1
2 1 4 GLU H 1 4 GLU QG . . 5.000 2.573 2.573 2.573 . 0 0 "[ ]" 1
3 1 6 VAL H 1 6 VAL HB . . 4.000 2.521 2.521 2.521 . 0 0 "[ ]" 1
4 1 6 VAL H 1 6 VAL QG . . 7.900 2.174 2.174 2.174 . 0 0 "[ ]" 1
5 1 7 ILE H 1 7 ILE HB . . 3.000 2.417 2.417 2.417 . 0 0 "[ ]" 1
6 1 7 ILE H 1 7 ILE QG . . 5.000 2.414 2.414 2.414 . 0 0 "[ ]" 1
7 1 8 GLU H 1 8 GLU QB . . 5.000 2.400 2.400 2.400 . 0 0 "[ ]" 1
8 1 8 GLU H 1 8 GLU QG . . 6.000 2.534 2.534 2.534 . 0 0 "[ ]" 1
9 1 9 MET H 1 9 MET QB . . 6.000 2.511 2.511 2.511 . 0 0 "[ ]" 1
10 1 9 MET H 1 9 MET QG . . 6.000 3.061 3.061 3.061 . 0 0 "[ ]" 1
11 1 10 GLN H 1 10 GLN HA . . 3.000 2.282 2.282 2.282 . 0 0 "[ ]" 1
12 1 10 GLN H 1 10 GLN QG . . 6.000 4.149 4.149 4.149 . 0 0 "[ ]" 1
13 1 12 LEU H 1 12 LEU HB2 . . 4.000 2.375 2.375 2.375 . 0 0 "[ ]" 1
14 1 12 LEU H 1 12 LEU HB3 . . 3.000 2.628 2.628 2.628 . 0 0 "[ ]" 1
15 1 12 LEU H 1 12 LEU HG . . 5.000 4.512 4.512 4.512 . 0 0 "[ ]" 1
16 1 12 LEU H 1 12 LEU MD1 . . 6.500 3.890 3.890 3.890 . 0 0 "[ ]" 1
17 1 12 LEU H 1 12 LEU MD2 . . 6.500 4.233 4.233 4.233 . 0 0 "[ ]" 1
18 1 13 SER H 1 13 SER QB . . 6.000 2.482 2.482 2.482 . 0 0 "[ ]" 1
19 1 14 LEU H 1 14 LEU MD1 . . 6.500 4.401 4.401 4.401 . 0 0 "[ ]" 1
20 1 14 LEU H 1 14 LEU MD2 . . 6.500 4.040 4.040 4.040 . 0 0 "[ ]" 1
21 1 14 LEU H 1 14 LEU HG . . 5.000 4.450 4.450 4.450 . 0 0 "[ ]" 1
22 1 14 LEU H 1 14 LEU HB3 . . 4.000 2.472 2.472 2.472 . 0 0 "[ ]" 1
23 1 15 ASP H 1 15 ASP HB2 . . 4.000 3.137 3.137 3.137 . 0 0 "[ ]" 1
24 1 15 ASP H 1 15 ASP HB3 . . 4.000 2.499 2.499 2.499 . 0 0 "[ ]" 1
25 1 17 THR H 1 17 THR MG . . 5.500 3.650 3.650 3.650 . 0 0 "[ ]" 1
26 1 17 THR H 1 17 THR HB . . 4.000 2.828 2.828 2.828 . 0 0 "[ ]" 1
27 1 18 SER H 1 18 SER QB . . 5.000 2.626 2.626 2.626 . 0 0 "[ ]" 1
28 1 19 HIS H 1 19 HIS HD2 . . 4.000 2.787 2.787 2.787 . 0 0 "[ ]" 1
29 1 20 ARG H 1 20 ARG QG . . 6.000 3.852 3.852 3.852 . 0 0 "[ ]" 1
30 1 20 ARG H 1 20 ARG QB . . 5.000 2.361 2.361 2.361 . 0 0 "[ ]" 1
31 1 20 ARG H 1 20 ARG QD . . 6.000 5.021 5.021 5.021 . 0 0 "[ ]" 1
32 1 21 VAL H 1 21 VAL MG1 . . 6.500 3.889 3.889 3.889 . 0 0 "[ ]" 1
33 1 21 VAL H 1 21 VAL MG2 . . 4.500 2.816 2.816 2.816 . 0 0 "[ ]" 1
34 1 21 VAL H 1 21 VAL HB . . 3.000 2.712 2.712 2.712 . 0 0 "[ ]" 1
35 1 22 MET H 1 22 MET QG . . 6.000 3.037 3.037 3.037 . 0 0 "[ ]" 1
36 1 22 MET H 1 22 MET QB . . 5.000 2.569 2.569 2.569 . 0 0 "[ ]" 1
37 1 23 ALA H 1 23 ALA MB . . 5.500 2.201 2.201 2.201 . 0 0 "[ ]" 1
38 1 25 GLU H 1 25 GLU HB2 . . 4.000 3.349 3.349 3.349 . 0 0 "[ ]" 1
39 1 25 GLU H 1 25 GLU HB3 . . 3.000 2.988 2.988 2.988 . 0 0 "[ ]" 1
40 1 25 GLU H 1 25 GLU QG . . 6.000 4.155 4.155 4.155 . 0 0 "[ ]" 1
41 1 26 GLU H 1 26 GLU QB . . 4.000 2.398 2.398 2.398 . 0 0 "[ ]" 1
42 1 26 GLU H 1 26 GLU QG . . 5.000 2.086 2.086 2.086 . 0 0 "[ ]" 1
43 1 28 LEU H 1 28 LEU MD1 . . 6.500 3.982 3.982 3.982 . 0 0 "[ ]" 1
44 1 28 LEU H 1 28 LEU MD2 . . 6.500 3.869 3.869 3.869 . 0 0 "[ ]" 1
45 1 28 LEU H 1 28 LEU HG . . 4.000 2.949 2.949 2.949 . 0 0 "[ ]" 1
46 1 28 LEU H 1 28 LEU HB3 . . 4.000 3.773 3.773 3.773 . 0 0 "[ ]" 1
47 1 28 LEU H 1 28 LEU HB2 . . 4.000 2.602 2.602 2.602 . 0 0 "[ ]" 1
48 1 29 GLU H 1 29 GLU QB . . 6.000 2.380 2.380 2.380 . 0 0 "[ ]" 1
49 1 29 GLU H 1 29 GLU QG . . 6.000 2.440 2.440 2.440 . 0 0 "[ ]" 1
50 1 30 MET H 1 30 MET ME . . 6.500 4.434 4.434 4.434 . 0 0 "[ ]" 1
51 1 30 MET H 1 30 MET QG . . 5.000 2.562 2.562 2.562 . 0 0 "[ ]" 1
52 1 33 THR H 1 33 THR MG . . 6.500 3.713 3.713 3.713 . 0 0 "[ ]" 1
53 1 33 THR H 1 33 THR HB . . 4.000 2.586 2.586 2.586 . 0 0 "[ ]" 1
54 1 34 GLU H 1 34 GLU HB2 . . 3.000 2.423 2.423 2.423 . 0 0 "[ ]" 1
55 1 35 PHE H 1 35 PHE HB2 . . 3.000 2.481 2.481 2.481 . 0 0 "[ ]" 1
56 1 35 PHE H 1 35 PHE HB3 . . 3.000 2.535 2.535 2.535 . 0 0 "[ ]" 1
57 1 35 PHE H 1 35 PHE QD . . 6.000 4.190 4.190 4.190 . 0 0 "[ ]" 1
58 1 36 LYS H 1 36 LYS QG . . 4.000 2.513 2.513 2.513 . 0 0 "[ ]" 1
59 1 36 LYS H 1 36 LYS QD . . 6.000 3.916 3.916 3.916 . 0 0 "[ ]" 1
60 1 36 LYS H 1 36 LYS HB2 . . 3.000 2.273 2.273 2.273 . 0 0 "[ ]" 1
61 1 37 LEU H 1 37 LEU MD1 . . 5.500 3.402 3.402 3.402 . 0 0 "[ ]" 1
62 1 37 LEU H 1 37 LEU MD2 . . 5.500 3.571 3.571 3.571 . 0 0 "[ ]" 1
63 1 37 LEU H 1 37 LEU QB . . 5.000 2.375 2.375 2.375 . 0 0 "[ ]" 1
64 1 37 LEU H 1 37 LEU HG . . 3.000 2.259 2.259 2.259 . 0 0 "[ ]" 1
65 1 38 LEU H 1 38 LEU HG . . 5.000 4.471 4.471 4.471 . 0 0 "[ ]" 1
66 1 38 LEU H 1 38 LEU QD . . 7.900 3.634 3.634 3.634 . 0 0 "[ ]" 1
67 1 38 LEU H 1 38 LEU QB . . 4.000 2.208 2.208 2.208 . 0 0 "[ ]" 1
68 1 39 HIS H 1 39 HIS HB3 . . 3.000 2.573 2.573 2.573 . 0 0 "[ ]" 1
69 1 39 HIS H 1 39 HIS HB2 . . 3.000 2.369 2.369 2.369 . 0 0 "[ ]" 1
70 1 40 PHE H 1 40 PHE HB2 . . 3.000 2.476 2.476 2.476 . 0 0 "[ ]" 1
71 1 40 PHE H 1 40 PHE HB3 . . 3.000 2.456 2.456 2.456 . 0 0 "[ ]" 1
72 1 40 PHE H 1 40 PHE QD . . 7.000 4.162 4.162 4.162 . 0 0 "[ ]" 1
73 1 41 PHE H 1 41 PHE QB . . 5.000 2.180 2.180 2.180 . 0 0 "[ ]" 1
74 1 41 PHE H 1 41 PHE QD . . 6.000 3.386 3.386 3.386 . 0 0 "[ ]" 1
75 1 42 MET H 1 42 MET QG . . 5.000 2.613 2.613 2.613 . 0 0 "[ ]" 1
76 1 42 MET H 1 42 MET HB2 . . 3.000 2.212 2.212 2.212 . 0 0 "[ ]" 1
77 1 43 THR H 1 43 THR MG . . 5.500 2.577 2.577 2.577 . 0 0 "[ ]" 1
78 1 44 HIS H 1 44 HIS HB2 . . 3.000 2.792 2.792 2.792 . 0 0 "[ ]" 1
79 1 46 GLU H 1 46 GLU QB . . 6.000 3.054 3.054 3.054 . 0 0 "[ ]" 1
80 1 46 GLU H 1 46 GLU QG . . 6.000 2.754 2.754 2.754 . 0 0 "[ ]" 1
81 1 47 ARG H 1 47 ARG QG . . 6.000 4.093 4.093 4.093 . 0 0 "[ ]" 1
82 1 47 ARG H 1 47 ARG QB . . 5.000 2.755 2.755 2.755 . 0 0 "[ ]" 1
83 1 47 ARG H 1 47 ARG QD . . 6.000 4.974 4.974 4.974 . 0 0 "[ ]" 1
84 1 48 VAL H 1 48 VAL MG1 . . 5.500 3.752 3.752 3.752 . 0 0 "[ ]" 1
85 1 48 VAL H 1 48 VAL MG2 . . 4.500 2.015 2.015 2.015 . 0 0 "[ ]" 1
86 1 48 VAL H 1 48 VAL HB . . 3.000 2.534 2.534 2.534 . 0 0 "[ ]" 1
87 1 49 TYR H 1 49 TYR QD . . 7.000 3.645 3.645 3.645 . 0 0 "[ ]" 1
88 1 49 TYR H 1 49 TYR QE . . 7.000 5.557 5.557 5.557 . 0 0 "[ ]" 1
89 1 50 SER H 1 50 SER HB3 . . 3.000 2.685 2.685 2.685 . 0 0 "[ ]" 1
90 1 51 ARG H 1 51 ARG QB . . 5.000 2.337 2.337 2.337 . 0 0 "[ ]" 1
91 1 51 ARG H 1 51 ARG QD . . 6.000 3.496 3.496 3.496 . 0 0 "[ ]" 1
92 1 52 GLU H 1 52 GLU QB . . 5.000 2.429 2.429 2.429 . 0 0 "[ ]" 1
93 1 52 GLU H 1 52 GLU QG . . 5.000 1.991 1.991 1.991 . 0 0 "[ ]" 1
94 1 53 GLN H 1 53 GLN HB2 . . 3.000 2.289 2.289 2.289 . 0 0 "[ ]" 1
95 1 54 LEU H 1 54 LEU MD1 . . 6.500 3.503 3.503 3.503 . 0 0 "[ ]" 1
96 1 54 LEU H 1 54 LEU MD2 . . 6.500 3.315 3.315 3.315 . 0 0 "[ ]" 1
97 1 54 LEU H 1 54 LEU HG . . 3.000 2.135 2.135 2.135 . 0 0 "[ ]" 1
98 1 54 LEU H 1 54 LEU HB2 . . 3.000 2.439 2.439 2.439 . 0 0 "[ ]" 1
99 1 54 LEU H 1 54 LEU HB3 . . 4.000 3.569 3.569 3.569 . 0 0 "[ ]" 1
100 1 55 LEU H 1 55 LEU MD2 . . 6.500 3.547 3.547 3.547 . 0 0 "[ ]" 1
101 1 55 LEU H 1 55 LEU MD1 . . 6.500 3.478 3.478 3.478 . 0 0 "[ ]" 1
102 1 55 LEU H 1 55 LEU HG . . 3.000 2.305 2.305 2.305 . 0 0 "[ ]" 1
103 1 55 LEU H 1 55 LEU HB3 . . 4.000 3.564 3.564 3.564 . 0 0 "[ ]" 1
104 1 55 LEU H 1 55 LEU HB2 . . 3.000 2.362 2.362 2.362 . 0 0 "[ ]" 1
105 1 56 ASN H 1 56 ASN HB2 . . 3.000 2.140 2.140 2.140 . 0 0 "[ ]" 1
106 1 56 ASN H 1 56 ASN HB3 . . 4.000 3.472 3.472 3.472 . 0 0 "[ ]" 1
107 1 56 ASN H 1 56 ASN QD . . 6.000 2.472 2.472 2.472 . 0 0 "[ ]" 1
108 1 57 HIS H 1 57 HIS HB2 . . 3.000 2.453 2.453 2.453 . 0 0 "[ ]" 1
109 1 57 HIS H 1 57 HIS HB3 . . 4.000 3.674 3.674 3.674 . 0 0 "[ ]" 1
110 1 58 VAL H 1 58 VAL MG1 . . 6.500 3.687 3.687 3.687 . 0 0 "[ ]" 1
111 1 58 VAL H 1 58 VAL MG2 . . 4.500 2.238 2.238 2.238 . 0 0 "[ ]" 1
112 1 58 VAL H 1 58 VAL HB . . 4.000 2.285 2.285 2.285 . 0 0 "[ ]" 1
113 1 59 TRP H 1 59 TRP HB2 . . 3.000 2.314 2.314 2.314 . 0 0 "[ ]" 1
114 1 59 TRP H 1 59 TRP HZ3 . . 6.000 4.220 4.220 4.220 . 0 0 "[ ]" 1
115 1 61 THR H 1 61 THR MG . . 5.500 2.530 2.530 2.530 . 0 0 "[ ]" 1
116 1 61 THR H 1 61 THR HB . . 4.000 4.032 4.032 4.032 0.032 1 0 "[ ]" 1
117 1 62 ASN H 1 62 ASN QB . . 5.000 2.222 2.222 2.222 . 0 0 "[ ]" 1
118 1 63 VAL H 1 63 VAL QG . . 7.900 2.124 2.124 2.124 . 0 0 "[ ]" 1
119 1 63 VAL H 1 63 VAL HB . . 4.000 3.727 3.727 3.727 . 0 0 "[ ]" 1
120 1 64 TYR H 1 64 TYR QB . . 5.000 2.244 2.244 2.244 . 0 0 "[ ]" 1
121 1 64 TYR H 1 64 TYR QD . . 7.000 4.208 4.208 4.208 . 0 0 "[ ]" 1
122 1 65 VAL H 1 65 VAL QG . . 7.900 1.803 1.803 1.803 0.097 1 0 "[ ]" 1
123 1 65 VAL H 1 65 VAL HB . . 4.000 3.610 3.610 3.610 . 0 0 "[ ]" 1
124 1 66 GLU H 1 66 GLU QB . . 5.000 2.363 2.363 2.363 . 0 0 "[ ]" 1
125 1 66 GLU H 1 66 GLU QG . . 5.000 2.230 2.230 2.230 . 0 0 "[ ]" 1
126 1 67 ASP H 1 67 ASP QB . . 5.000 2.025 2.025 2.025 . 0 0 "[ ]" 1
127 1 68 ARG H 1 68 ARG QG . . 5.000 3.926 3.926 3.926 . 0 0 "[ ]" 1
128 1 68 ARG H 1 68 ARG QB . . 5.000 2.181 2.181 2.181 . 0 0 "[ ]" 1
129 1 68 ARG H 1 68 ARG QD . . 6.000 4.564 4.564 4.564 . 0 0 "[ ]" 1
130 1 69 THR H 1 69 THR MG . . 5.500 3.720 3.720 3.720 . 0 0 "[ ]" 1
131 1 70 VAL H 1 70 VAL MG1 . . 5.500 3.757 3.757 3.757 . 0 0 "[ ]" 1
132 1 70 VAL H 1 70 VAL MG2 . . 4.500 2.013 2.013 2.013 . 0 0 "[ ]" 1
133 1 70 VAL H 1 70 VAL HB . . 4.000 2.543 2.543 2.543 . 0 0 "[ ]" 1
134 1 71 ASP H 1 71 ASP HB2 . . 3.000 2.567 2.567 2.567 . 0 0 "[ ]" 1
135 1 72 VAL H 1 72 VAL MG1 . . 5.500 3.721 3.721 3.721 . 0 0 "[ ]" 1
136 1 72 VAL H 1 72 VAL MG2 . . 4.500 2.281 2.281 2.281 . 0 0 "[ ]" 1
137 1 72 VAL H 1 72 VAL HB . . 4.000 2.338 2.338 2.338 . 0 0 "[ ]" 1
138 1 73 HIS H 1 73 HIS HB2 . . 4.000 2.292 2.292 2.292 . 0 0 "[ ]" 1
139 1 74 ILE H 1 74 ILE HB . . 4.000 2.282 2.282 2.282 . 0 0 "[ ]" 1
140 1 74 ILE H 1 74 ILE QG . . 5.000 2.473 2.473 2.473 . 0 0 "[ ]" 1
141 1 74 ILE H 1 74 ILE MG . . 6.500 3.704 3.704 3.704 . 0 0 "[ ]" 1
142 1 74 ILE H 1 74 ILE MD . . 6.500 3.870 3.870 3.870 . 0 0 "[ ]" 1
143 1 75 ARG H 1 75 ARG QG . . 5.000 3.939 3.939 3.939 . 0 0 "[ ]" 1
144 1 75 ARG H 1 75 ARG QB . . 5.000 2.220 2.220 2.220 . 0 0 "[ ]" 1
145 1 75 ARG H 1 75 ARG QD . . 6.000 4.354 4.354 4.354 . 0 0 "[ ]" 1
146 1 76 ARG H 1 76 ARG HB2 . . 3.000 2.316 2.316 2.316 . 0 0 "[ ]" 1
147 1 76 ARG H 1 76 ARG QD . . 6.000 3.537 3.537 3.537 . 0 0 "[ ]" 1
148 1 76 ARG H 1 76 ARG QG . . 4.000 2.403 2.403 2.403 . 0 0 "[ ]" 1
149 1 77 LEU H 1 77 LEU MD1 . . 6.500 4.112 4.112 4.112 . 0 0 "[ ]" 1
150 1 77 LEU H 1 77 LEU MD2 . . 6.500 4.233 4.233 4.233 . 0 0 "[ ]" 1
151 1 77 LEU H 1 77 LEU HG . . 5.000 4.371 4.371 4.371 . 0 0 "[ ]" 1
152 1 77 LEU H 1 77 LEU HB2 . . 4.000 2.602 2.602 2.602 . 0 0 "[ ]" 1
153 1 77 LEU H 1 77 LEU HB3 . . 3.000 2.375 2.375 2.375 . 0 0 "[ ]" 1
154 1 78 ARG H 1 78 ARG QG . . 4.000 2.424 2.424 2.424 . 0 0 "[ ]" 1
155 1 78 ARG H 1 78 ARG HB2 . . 3.000 2.320 2.320 2.320 . 0 0 "[ ]" 1
156 1 78 ARG H 1 78 ARG HB3 . . 4.000 3.561 3.561 3.561 . 0 0 "[ ]" 1
157 1 78 ARG H 1 78 ARG QD . . 6.000 4.071 4.071 4.071 . 0 0 "[ ]" 1
158 1 79 LYS H 1 79 LYS QG . . 6.000 3.969 3.969 3.969 . 0 0 "[ ]" 1
159 1 79 LYS H 1 79 LYS QD . . 6.000 4.352 4.352 4.352 . 0 0 "[ ]" 1
160 1 79 LYS H 1 79 LYS QB . . 5.000 2.258 2.258 2.258 . 0 0 "[ ]" 1
161 1 80 ALA H 1 80 ALA MB . . 5.500 2.222 2.222 2.222 . 0 0 "[ ]" 1
162 1 81 LEU H 1 81 LEU QD . . 7.900 3.245 3.245 3.245 . 0 0 "[ ]" 1
163 1 81 LEU H 1 81 LEU HG . . 4.000 2.590 2.590 2.590 . 0 0 "[ ]" 1
164 1 81 LEU H 1 81 LEU HB3 . . 4.000 3.632 3.632 3.632 . 0 0 "[ ]" 1
165 1 82 GLU H 1 82 GLU HB3 . . 3.000 2.569 2.569 2.569 . 0 0 "[ ]" 1
166 1 82 GLU H 1 82 GLU HB2 . . 3.000 2.407 2.407 2.407 . 0 0 "[ ]" 1
167 1 82 GLU H 1 82 GLU QG . . 6.000 3.941 3.941 3.941 . 0 0 "[ ]" 1
168 1 87 ASP H 1 87 ASP HB3 . . 4.000 2.306 2.306 2.306 . 0 0 "[ ]" 1
169 1 87 ASP H 1 87 ASP HB2 . . 4.000 3.536 3.536 3.536 . 0 0 "[ ]" 1
170 1 88 ARG H 1 88 ARG QG . . 5.000 2.311 2.311 2.311 . 0 0 "[ ]" 1
171 1 88 ARG H 1 88 ARG QB . . 4.000 2.295 2.295 2.295 . 0 0 "[ ]" 1
172 1 88 ARG H 1 88 ARG QD . . 6.000 3.286 3.286 3.286 . 0 0 "[ ]" 1
173 1 89 MET H 1 89 MET QG . . 6.000 2.243 2.243 2.243 . 0 0 "[ ]" 1
174 1 89 MET H 1 89 MET HB2 . . 3.000 2.411 2.411 2.411 . 0 0 "[ ]" 1
175 1 89 MET H 1 89 MET ME . . 5.500 4.276 4.276 4.276 . 0 0 "[ ]" 1
176 1 90 VAL H 1 90 VAL MG1 . . 6.500 3.760 3.760 3.760 . 0 0 "[ ]" 1
177 1 90 VAL H 1 90 VAL MG2 . . 5.500 2.210 2.210 2.210 . 0 0 "[ ]" 1
178 1 90 VAL H 1 90 VAL HB . . 3.000 2.443 2.443 2.443 . 0 0 "[ ]" 1
179 1 91 GLN H 1 91 GLN QB . . 5.000 2.313 2.313 2.313 . 0 0 "[ ]" 1
180 1 91 GLN H 1 91 GLN QG . . 5.000 2.364 2.364 2.364 . 0 0 "[ ]" 1
181 1 92 THR H 1 92 THR MG . . 6.500 3.787 3.787 3.787 . 0 0 "[ ]" 1
182 1 92 THR H 1 92 THR HB . . 4.000 2.510 2.510 2.510 . 0 0 "[ ]" 1
183 1 93 VAL H 1 93 VAL MG2 . . 5.500 2.049 2.049 2.049 . 0 0 "[ ]" 1
184 1 93 VAL H 1 93 VAL MG1 . . 6.500 3.770 3.770 3.770 . 0 0 "[ ]" 1
185 1 93 VAL H 1 93 VAL HB . . 3.000 2.561 2.561 2.561 . 0 0 "[ ]" 1
186 1 96 THR H 1 96 THR MG . . 5.500 3.770 3.770 3.770 . 0 0 "[ ]" 1
187 1 96 THR H 1 96 THR HB . . 4.000 2.467 2.467 2.467 . 0 0 "[ ]" 1
188 1 98 TYR H 1 98 TYR HB3 . . 4.000 3.928 3.928 3.928 . 0 0 "[ ]" 1
189 1 98 TYR H 1 98 TYR QD . . 6.000 2.721 2.721 2.721 . 0 0 "[ ]" 1
190 1 98 TYR H 1 98 TYR QE . . 7.000 4.576 4.576 4.576 . 0 0 "[ ]" 1
191 1 99 ARG H 1 99 ARG QG . . 6.000 4.129 4.129 4.129 . 0 0 "[ ]" 1
192 1 99 ARG H 1 99 ARG QB . . 6.000 2.886 2.886 2.886 . 0 0 "[ ]" 1
193 1 100 PHE H 1 100 PHE HB2 . . 4.000 2.593 2.593 2.593 . 0 0 "[ ]" 1
194 1 100 PHE H 1 100 PHE QD . . 7.000 4.258 4.258 4.258 . 0 0 "[ ]" 1
195 1 101 SER H 1 101 SER QB . . 5.000 2.325 2.325 2.325 . 0 0 "[ ]" 1
196 1 102 THR H 1 102 THR MG . . 5.500 2.329 2.329 2.329 . 0 0 "[ ]" 1
197 1 103 ARG H 1 103 ARG QG . . 6.000 4.204 4.204 4.204 . 0 0 "[ ]" 1
198 1 103 ARG H 1 103 ARG QB . . 5.000 2.887 2.887 2.887 . 0 0 "[ ]" 1
199 1 104 PHE H 1 104 PHE QB . . 5.000 2.946 2.946 2.946 . 0 0 "[ ]" 1
200 1 12 LEU HA 1 12 LEU MD1 . . 4.500 1.996 1.996 1.996 . 0 0 "[ ]" 1
201 1 12 LEU HA 1 12 LEU MD2 . . 6.500 3.768 3.768 3.768 . 0 0 "[ ]" 1
202 1 14 LEU HA 1 14 LEU MD1 . . 6.500 3.265 3.265 3.265 . 0 0 "[ ]" 1
203 1 14 LEU HA 1 14 LEU MD2 . . 6.500 3.520 3.520 3.520 . 0 0 "[ ]" 1
204 1 14 LEU HA 1 14 LEU HG . . 3.000 2.339 2.339 2.339 . 0 0 "[ ]" 1
205 1 28 LEU HA 1 28 LEU MD1 . . 6.500 3.834 3.834 3.834 . 0 0 "[ ]" 1
206 1 28 LEU HA 1 28 LEU MD2 . . 4.500 2.087 2.087 2.087 . 0 0 "[ ]" 1
207 1 37 LEU HA 1 37 LEU MD1 . . 6.500 3.828 3.828 3.828 . 0 0 "[ ]" 1
208 1 37 LEU HA 1 37 LEU MD2 . . 4.500 2.169 2.169 2.169 . 0 0 "[ ]" 1
209 1 37 LEU HA 1 37 LEU HG . . 4.000 2.800 2.800 2.800 . 0 0 "[ ]" 1
210 1 54 LEU HA 1 54 LEU MD1 . . 6.500 3.819 3.819 3.819 . 0 0 "[ ]" 1
211 1 54 LEU HA 1 54 LEU MD2 . . 4.500 2.005 2.005 2.005 . 0 0 "[ ]" 1
212 1 55 LEU HA 1 55 LEU MD1 . . 6.500 3.832 3.832 3.832 . 0 0 "[ ]" 1
213 1 55 LEU HA 1 55 LEU MD2 . . 4.500 2.063 2.063 2.063 . 0 0 "[ ]" 1
214 1 77 LEU HA 1 77 LEU MD1 . . 4.500 2.101 2.101 2.101 . 0 0 "[ ]" 1
215 1 77 LEU HA 1 77 LEU MD2 . . 6.500 3.857 3.857 3.857 . 0 0 "[ ]" 1
216 1 77 LEU HA 1 77 LEU HB2 . . 3.000 2.418 2.418 2.418 . 0 0 "[ ]" 1
217 1 81 LEU HA 1 81 LEU MD1 . . 6.500 3.872 3.872 3.872 . 0 0 "[ ]" 1
218 1 81 LEU HA 1 81 LEU MD2 . . 4.500 2.093 2.093 2.093 . 0 0 "[ ]" 1
219 1 74 ILE HA 1 74 ILE MD . . 4.500 2.120 2.120 2.120 . 0 0 "[ ]" 1
220 1 4 GLU H 1 5 GLU H . . 5.000 4.553 4.553 4.553 . 0 0 "[ ]" 1
221 1 5 GLU H 1 6 VAL H . . 4.000 4.004 4.004 4.004 0.004 1 0 "[ ]" 1
222 1 6 VAL H 1 7 ILE H . . 5.000 4.400 4.400 4.400 . 0 0 "[ ]" 1
223 1 7 ILE H 1 8 GLU H . . 5.000 4.248 4.248 4.248 . 0 0 "[ ]" 1
224 1 8 GLU H 1 9 MET H . . 5.000 4.199 4.199 4.199 . 0 0 "[ ]" 1
225 1 9 MET H 1 10 GLN H . . 5.000 4.287 4.287 4.287 . 0 0 "[ ]" 1
226 1 10 GLN H 1 11 GLY H . . 5.000 2.692 2.692 2.692 . 0 0 "[ ]" 1
227 1 11 GLY H 1 12 LEU H . . 3.000 2.703 2.703 2.703 . 0 0 "[ ]" 1
228 1 12 LEU H 1 13 SER H . . 5.000 4.214 4.214 4.214 . 0 0 "[ ]" 1
229 1 13 SER H 1 14 LEU H . . 5.000 4.354 4.354 4.354 . 0 0 "[ ]" 1
230 1 14 LEU H 1 15 ASP H . . 5.000 4.522 4.522 4.522 . 0 0 "[ ]" 1
231 1 17 THR H 1 18 SER H . . 4.000 2.742 2.742 2.742 . 0 0 "[ ]" 1
232 1 18 SER H 1 19 HIS H . . 3.000 2.534 2.534 2.534 . 0 0 "[ ]" 1
233 1 19 HIS H 1 20 ARG H . . 3.000 2.871 2.871 2.871 . 0 0 "[ ]" 1
234 1 20 ARG H 1 21 VAL H . . 5.000 4.468 4.468 4.468 . 0 0 "[ ]" 1
235 1 21 VAL H 1 22 MET H . . 5.000 4.358 4.358 4.358 . 0 0 "[ ]" 1
236 1 24 GLY H 1 25 GLU H . . 5.000 3.418 3.418 3.418 . 0 0 "[ ]" 1
237 1 25 GLU H 1 26 GLU H . . 3.000 1.817 1.817 1.817 0.083 1 0 "[ ]" 1
238 1 30 MET H 1 31 GLY H . . 5.000 4.384 4.384 4.384 . 0 0 "[ ]" 1
239 1 34 GLU H 1 35 PHE H . . 3.000 2.675 2.675 2.675 . 0 0 "[ ]" 1
240 1 35 PHE H 1 36 LYS H . . 3.000 2.698 2.698 2.698 . 0 0 "[ ]" 1
241 1 36 LYS H 1 37 LEU H . . 3.000 2.856 2.856 2.856 . 0 0 "[ ]" 1
242 1 37 LEU H 1 38 LEU H . . 3.000 2.964 2.964 2.964 . 0 0 "[ ]" 1
243 1 38 LEU H 1 39 HIS H . . 3.000 2.790 2.790 2.790 . 0 0 "[ ]" 1
244 1 39 HIS H 1 40 PHE H . . 3.000 2.770 2.770 2.770 . 0 0 "[ ]" 1
245 1 40 PHE H 1 41 PHE H . . 3.000 2.675 2.675 2.675 . 0 0 "[ ]" 1
246 1 42 MET H 1 43 THR H . . 5.000 2.666 2.666 2.666 . 0 0 "[ ]" 1
247 1 43 THR H 1 44 HIS H . . 4.000 2.587 2.587 2.587 . 0 0 "[ ]" 1
248 1 46 GLU H 1 47 ARG H . . 4.000 3.188 3.188 3.188 . 0 0 "[ ]" 1
249 1 47 ARG H 1 48 VAL H . . 5.000 4.080 4.080 4.080 . 0 0 "[ ]" 1
250 1 48 VAL H 1 49 TYR H . . 5.000 4.566 4.566 4.566 . 0 0 "[ ]" 1
251 1 49 TYR H 1 50 SER H . . 5.000 4.348 4.348 4.348 . 0 0 "[ ]" 1
252 1 51 ARG H 1 52 GLU H . . 4.000 2.735 2.735 2.735 . 0 0 "[ ]" 1
253 1 52 GLU H 1 53 GLN H . . 3.000 2.886 2.886 2.886 . 0 0 "[ ]" 1
254 1 53 GLN H 1 54 LEU H . . 4.000 2.713 2.713 2.713 . 0 0 "[ ]" 1
255 1 54 LEU H 1 55 LEU H . . 4.000 2.825 2.825 2.825 . 0 0 "[ ]" 1
256 1 55 LEU H 1 56 ASN H . . 3.000 2.747 2.747 2.747 . 0 0 "[ ]" 1
257 1 56 ASN H 1 57 HIS H . . 3.000 2.637 2.637 2.637 . 0 0 "[ ]" 1
258 1 57 HIS H 1 58 VAL H . . 3.000 2.490 2.490 2.490 . 0 0 "[ ]" 1
259 1 58 VAL H 1 59 TRP H . . 4.000 2.809 2.809 2.809 . 0 0 "[ ]" 1
260 1 59 TRP H 1 60 GLY H . . 5.000 2.419 2.419 2.419 . 0 0 "[ ]" 1
261 1 60 GLY H 1 61 THR H . . 5.000 2.695 2.695 2.695 . 0 0 "[ ]" 1
262 1 62 ASN H 1 63 VAL H . . 5.000 2.547 2.547 2.547 . 0 0 "[ ]" 1
263 1 63 VAL H 1 64 TYR H . . 5.000 4.389 4.389 4.389 . 0 0 "[ ]" 1
264 1 64 TYR H 1 65 VAL H . . 5.000 3.851 3.851 3.851 . 0 0 "[ ]" 1
265 1 65 VAL H 1 66 GLU H . . 5.000 4.641 4.641 4.641 . 0 0 "[ ]" 1
266 1 68 ARG H 1 69 THR H . . 4.000 2.784 2.784 2.784 . 0 0 "[ ]" 1
267 1 70 VAL H 1 71 ASP H . . 4.000 2.696 2.696 2.696 . 0 0 "[ ]" 1
268 1 71 ASP H 1 72 VAL H . . 3.000 2.704 2.704 2.704 . 0 0 "[ ]" 1
269 1 72 VAL H 1 73 HIS H . . 3.000 2.869 2.869 2.869 . 0 0 "[ ]" 1
270 1 73 HIS H 1 74 ILE H . . 3.000 2.651 2.651 2.651 . 0 0 "[ ]" 1
271 1 74 ILE H 1 75 ARG H . . 3.000 2.658 2.658 2.658 . 0 0 "[ ]" 1
272 1 75 ARG H 1 76 ARG H . . 3.000 2.679 2.679 2.679 . 0 0 "[ ]" 1
273 1 76 ARG H 1 77 LEU H . . 3.000 2.741 2.741 2.741 . 0 0 "[ ]" 1
274 1 77 LEU H 1 78 ARG H . . 3.000 2.832 2.832 2.832 . 0 0 "[ ]" 1
275 1 78 ARG H 1 79 LYS H . . 3.000 2.803 2.803 2.803 . 0 0 "[ ]" 1
276 1 79 LYS H 1 80 ALA H . . 4.000 2.695 2.695 2.695 . 0 0 "[ ]" 1
277 1 80 ALA H 1 81 LEU H . . 3.000 2.585 2.585 2.585 . 0 0 "[ ]" 1
278 1 81 LEU H 1 82 GLU H . . 3.000 2.309 2.309 2.309 . 0 0 "[ ]" 1
279 1 84 GLY H 1 85 GLY H . . 5.000 2.526 2.526 2.526 . 0 0 "[ ]" 1
280 1 85 GLY H 1 86 HIS H . . 4.000 2.559 2.559 2.559 . 0 0 "[ ]" 1
281 1 86 HIS H 1 87 ASP H . . 4.000 2.441 2.441 2.441 . 0 0 "[ ]" 1
282 1 87 ASP H 1 88 ARG H . . 3.000 2.799 2.799 2.799 . 0 0 "[ ]" 1
283 1 88 ARG H 1 89 MET H . . 4.000 2.746 2.746 2.746 . 0 0 "[ ]" 1
284 1 89 MET H 1 90 VAL H . . 3.000 2.726 2.726 2.726 . 0 0 "[ ]" 1
285 1 90 VAL H 1 91 GLN H . . 5.000 4.135 4.135 4.135 . 0 0 "[ ]" 1
286 1 92 THR H 1 93 VAL H . . 5.000 4.186 4.186 4.186 . 0 0 "[ ]" 1
287 1 96 THR H 1 97 GLY H . . 3.000 2.399 2.399 2.399 . 0 0 "[ ]" 1
288 1 97 GLY H 1 98 TYR H . . 5.000 4.269 4.269 4.269 . 0 0 "[ ]" 1
289 1 98 TYR H 1 99 ARG H . . 5.000 4.393 4.393 4.393 . 0 0 "[ ]" 1
290 1 99 ARG H 1 100 PHE H . . 5.000 4.276 4.276 4.276 . 0 0 "[ ]" 1
291 1 100 PHE H 1 101 SER H . . 5.000 4.019 4.019 4.019 . 0 0 "[ ]" 1
292 1 101 SER H 1 102 THR H . . 5.000 4.111 4.111 4.111 . 0 0 "[ ]" 1
293 1 102 THR H 1 103 ARG H . . 4.000 2.712 2.712 2.712 . 0 0 "[ ]" 1
294 1 103 ARG H 1 104 PHE H . . 4.000 2.198 2.198 2.198 . 0 0 "[ ]" 1
295 1 10 GLN H 1 12 LEU H . . 5.000 4.181 4.181 4.181 . 0 0 "[ ]" 1
296 1 17 THR H 1 19 HIS H . . 4.000 3.635 3.635 3.635 . 0 0 "[ ]" 1
297 1 18 SER H 1 20 ARG H . . 5.000 3.822 3.822 3.822 . 0 0 "[ ]" 1
298 1 24 GLY H 1 26 GLU H . . 5.000 5.027 5.027 5.027 0.027 1 0 "[ ]" 1
299 1 36 LYS H 1 38 LEU H . . 5.000 4.315 4.315 4.315 . 0 0 "[ ]" 1
300 1 37 LEU H 1 39 HIS H . . 5.000 4.417 4.417 4.417 . 0 0 "[ ]" 1
301 1 38 LEU H 1 40 PHE H . . 5.000 4.279 4.279 4.279 . 0 0 "[ ]" 1
302 1 39 HIS H 1 41 PHE H . . 5.000 4.097 4.097 4.097 . 0 0 "[ ]" 1
303 1 40 PHE H 1 42 MET H . . 5.000 4.079 4.079 4.079 . 0 0 "[ ]" 1
304 1 42 MET H 1 44 HIS H . . 5.000 3.810 3.810 3.810 . 0 0 "[ ]" 1
305 1 52 GLU H 1 54 LEU H . . 5.000 4.525 4.525 4.525 . 0 0 "[ ]" 1
306 1 53 GLN H 1 55 LEU H . . 5.000 4.113 4.113 4.113 . 0 0 "[ ]" 1
307 1 54 LEU H 1 56 ASN H . . 5.000 4.162 4.162 4.162 . 0 0 "[ ]" 1
308 1 55 LEU H 1 57 HIS H . . 5.000 3.992 3.992 3.992 . 0 0 "[ ]" 1
309 1 56 ASN H 1 58 VAL H . . 5.000 4.853 4.853 4.853 . 0 0 "[ ]" 1
310 1 58 VAL H 1 60 GLY H . . 5.000 3.643 3.643 3.643 . 0 0 "[ ]" 1
311 1 71 ASP H 1 73 HIS H . . 5.000 4.568 4.568 4.568 . 0 0 "[ ]" 1
312 1 72 VAL H 1 74 ILE H . . 5.000 3.993 3.993 3.993 . 0 0 "[ ]" 1
313 1 74 ILE H 1 76 ARG H . . 5.000 4.078 4.078 4.078 . 0 0 "[ ]" 1
314 1 76 ARG H 1 78 ARG H . . 5.000 4.286 4.286 4.286 . 0 0 "[ ]" 1
315 1 77 LEU H 1 79 LYS H . . 5.000 4.224 4.224 4.224 . 0 0 "[ ]" 1
316 1 78 ARG H 1 80 ALA H . . 5.000 4.108 4.108 4.108 . 0 0 "[ ]" 1
317 1 79 LYS H 1 81 LEU H . . 5.000 3.980 3.980 3.980 . 0 0 "[ ]" 1
318 1 84 GLY H 1 86 HIS H . . 5.000 3.705 3.705 3.705 . 0 0 "[ ]" 1
319 1 85 GLY H 1 87 ASP H . . 5.000 3.845 3.845 3.845 . 0 0 "[ ]" 1
320 1 86 HIS H 1 88 ARG H . . 5.000 4.570 4.570 4.570 . 0 0 "[ ]" 1
321 1 87 ASP H 1 89 MET H . . 5.000 4.419 4.419 4.419 . 0 0 "[ ]" 1
322 1 7 ILE H 1 14 LEU H . . 4.000 3.519 3.519 3.519 . 0 0 "[ ]" 1
323 1 9 MET H 1 12 LEU H . . 4.000 3.463 3.463 3.463 . 0 0 "[ ]" 1
324 1 13 SER H 1 22 MET H . . 4.000 3.214 3.214 3.214 . 0 0 "[ ]" 1
325 1 13 SER H 1 24 GLY H . . 5.000 2.864 2.864 2.864 . 0 0 "[ ]" 1
326 1 15 ASP H 1 20 ARG H . . 4.000 3.075 3.075 3.075 . 0 0 "[ ]" 1
327 1 21 VAL H 1 28 LEU H . . 5.000 3.473 3.473 3.473 . 0 0 "[ ]" 1
328 1 23 ALA H 1 26 GLU H . . 4.000 3.981 3.981 3.981 . 0 0 "[ ]" 1
329 1 91 GLN H 1 99 ARG H . . 4.000 3.096 3.096 3.096 . 0 0 "[ ]" 1
330 1 91 GLN H 1 101 SER H . . 5.000 3.350 3.350 3.350 . 0 0 "[ ]" 1
331 1 93 VAL H 1 97 GLY H . . 4.000 3.811 3.811 3.811 . 0 0 "[ ]" 1
332 1 93 VAL H 1 98 TYR H . . 5.000 4.482 4.482 4.482 . 0 0 "[ ]" 1
333 1 93 VAL H 1 99 ARG H . . 5.000 4.459 4.459 4.459 . 0 0 "[ ]" 1
334 1 49 TYR H 1 98 TYR H . . 4.000 2.623 2.623 2.623 . 0 0 "[ ]" 1
335 1 46 GLU H 1 100 PHE H . . 5.000 3.562 3.562 3.562 . 0 0 "[ ]" 1
336 1 46 GLU H 1 102 THR H . . 5.000 3.897 3.897 3.897 . 0 0 "[ ]" 1
337 1 50 SER H 1 53 GLN H . . 5.000 3.557 3.557 3.557 . 0 0 "[ ]" 1
338 1 81 LEU H 1 87 ASP H . . 5.000 5.018 5.018 5.018 0.018 1 0 "[ ]" 1
339 1 82 GLU H 1 87 ASP H . . 5.000 4.644 4.644 4.644 . 0 0 "[ ]" 1
340 1 3 VAL HA 1 4 GLU H . . 4.000 2.153 2.153 2.153 . 0 0 "[ ]" 1
341 1 3 VAL QG 1 4 GLU H . . 7.900 3.092 3.092 3.092 . 0 0 "[ ]" 1
342 1 5 GLU QB 1 6 VAL H . . 6.000 4.022 4.022 4.022 . 0 0 "[ ]" 1
343 1 5 GLU QG 1 6 VAL H . . 7.000 4.037 4.037 4.037 . 0 0 "[ ]" 1
344 1 5 GLU HA 1 6 VAL H . . 4.000 2.255 2.255 2.255 . 0 0 "[ ]" 1
345 1 7 ILE H 1 14 LEU MD1 . . 6.500 5.430 5.430 5.430 . 0 0 "[ ]" 1
346 1 7 ILE H 1 14 LEU MD2 . . 5.500 3.348 3.348 3.348 . 0 0 "[ ]" 1
347 1 7 ILE H 1 14 LEU HB3 . . 5.000 3.356 3.356 3.356 . 0 0 "[ ]" 1
348 1 6 VAL HB 1 7 ILE H . . 5.000 4.408 4.408 4.408 . 0 0 "[ ]" 1
349 1 6 VAL QG 1 7 ILE H . . 8.900 3.061 3.061 3.061 . 0 0 "[ ]" 1
350 1 7 ILE H 1 16 PRO QD . . 6.000 2.977 2.977 2.977 . 0 0 "[ ]" 1
351 1 6 VAL HA 1 7 ILE H . . 3.000 2.203 2.203 2.203 . 0 0 "[ ]" 1
352 1 7 ILE H 1 15 ASP HA . . 5.000 3.747 3.747 3.747 . 0 0 "[ ]" 1
353 1 7 ILE H 1 13 SER HA . . 5.000 4.930 4.930 4.930 . 0 0 "[ ]" 1
354 1 7 ILE MG 1 8 GLU H . . 4.500 3.281 3.281 3.281 . 0 0 "[ ]" 1
355 1 7 ILE MD 1 8 GLU H . . 6.500 5.454 5.454 5.454 . 0 0 "[ ]" 1
356 1 7 ILE QG 1 8 GLU H . . 5.000 4.302 4.302 4.302 . 0 0 "[ ]" 1
357 1 7 ILE HA 1 8 GLU H . . 3.000 2.167 2.167 2.167 . 0 0 "[ ]" 1
358 1 7 ILE MG 1 9 MET H . . 4.500 3.536 3.536 3.536 . 0 0 "[ ]" 1
359 1 8 GLU QB 1 9 MET H . . 6.000 3.705 3.705 3.705 . 0 0 "[ ]" 1
360 1 8 GLU HA 1 9 MET H . . 3.000 2.212 2.212 2.212 . 0 0 "[ ]" 1
361 1 9 MET H 1 12 LEU MD2 . . 6.500 5.105 5.105 5.105 . 0 0 "[ ]" 1
362 1 9 MET H 1 12 LEU HB2 . . 5.000 4.766 4.766 4.766 . 0 0 "[ ]" 1
363 1 9 MET H 1 12 LEU HB3 . . 4.000 3.428 3.428 3.428 . 0 0 "[ ]" 1
364 1 9 MET H 1 13 SER QB . . 6.000 5.358 5.358 5.358 . 0 0 "[ ]" 1
365 1 9 MET H 1 13 SER HA . . 5.000 3.515 3.515 3.515 . 0 0 "[ ]" 1
366 1 9 MET H 1 42 MET ME . . 4.500 3.292 3.292 3.292 . 0 0 "[ ]" 1
367 1 9 MET QG 1 10 GLN H . . 6.000 4.029 4.029 4.029 . 0 0 "[ ]" 1
368 1 9 MET QB 1 10 GLN H . . 6.000 3.388 3.388 3.388 . 0 0 "[ ]" 1
369 1 9 MET HA 1 10 GLN H . . 3.000 2.156 2.156 2.156 . 0 0 "[ ]" 1
370 1 10 GLN H 1 102 THR MG . . 6.500 4.716 4.716 4.716 . 0 0 "[ ]" 1
371 1 10 GLN QE 1 102 THR MG . . 7.500 3.900 3.900 3.900 . 0 0 "[ ]" 1
372 1 10 GLN QE 1 102 THR HB . . 6.000 3.729 3.729 3.729 . 0 0 "[ ]" 1
373 1 10 GLN HA 1 11 GLY H . . 3.000 2.996 2.996 2.996 . 0 0 "[ ]" 1
374 1 10 GLN HB2 1 11 GLY H . . 5.000 4.563 4.563 4.563 . 0 0 "[ ]" 1
375 1 10 GLN HB3 1 11 GLY H . . 5.000 4.134 4.134 4.134 . 0 0 "[ ]" 1
376 1 10 GLN QG 1 11 GLY H . . 6.000 4.395 4.395 4.395 . 0 0 "[ ]" 1
377 1 11 GLY H 1 12 LEU HB2 . . 5.000 5.031 5.031 5.031 0.031 1 0 "[ ]" 1
378 1 12 LEU H 1 86 HIS HD2 . . 5.000 3.919 3.919 3.919 . 0 0 "[ ]" 1
379 1 11 GLY QA 1 12 LEU H . . 6.000 2.948 2.948 2.948 . 0 0 "[ ]" 1
380 1 10 GLN HA 1 12 LEU H . . 5.000 4.195 4.195 4.195 . 0 0 "[ ]" 1
381 1 10 GLN HB3 1 12 LEU H . . 5.000 3.100 3.100 3.100 . 0 0 "[ ]" 1
382 1 8 GLU HA 1 12 LEU H . . 5.000 4.713 4.713 4.713 . 0 0 "[ ]" 1
383 1 12 LEU HB2 1 13 SER H . . 5.000 4.642 4.642 4.642 . 0 0 "[ ]" 1
384 1 12 LEU HB3 1 13 SER H . . 5.000 4.421 4.421 4.421 . 0 0 "[ ]" 1
385 1 12 LEU HG 1 13 SER H . . 5.000 3.939 3.939 3.939 . 0 0 "[ ]" 1
386 1 12 LEU MD1 1 13 SER H . . 4.500 3.261 3.261 3.261 . 0 0 "[ ]" 1
387 1 12 LEU MD2 1 13 SER H . . 6.500 5.164 5.164 5.164 . 0 0 "[ ]" 1
388 1 13 SER H 1 23 ALA MB . . 6.500 4.942 4.942 4.942 . 0 0 "[ ]" 1
389 1 12 LEU HA 1 13 SER H . . 3.000 2.230 2.230 2.230 . 0 0 "[ ]" 1
390 1 13 SER H 1 23 ALA HA . . 5.000 3.506 3.506 3.506 . 0 0 "[ ]" 1
391 1 8 GLU HA 1 13 SER H . . 5.000 4.373 4.373 4.373 . 0 0 "[ ]" 1
392 1 13 SER H 1 21 VAL HA . . 5.000 5.013 5.013 5.013 0.013 1 0 "[ ]" 1
393 1 13 SER H 1 21 VAL MG1 . . 6.500 4.002 4.002 4.002 . 0 0 "[ ]" 1
394 1 13 SER QB 1 14 LEU H . . 5.000 3.584 3.584 3.584 . 0 0 "[ ]" 1
395 1 13 SER HA 1 14 LEU H . . 3.000 2.170 2.170 2.170 . 0 0 "[ ]" 1
396 1 7 ILE HB 1 14 LEU H . . 5.000 3.346 3.346 3.346 . 0 0 "[ ]" 1
397 1 7 ILE MD 1 14 LEU H . . 6.500 4.736 4.736 4.736 . 0 0 "[ ]" 1
398 1 6 VAL HA 1 14 LEU H . . 5.000 4.832 4.832 4.832 . 0 0 "[ ]" 1
399 1 8 GLU HA 1 14 LEU H . . 4.000 3.333 3.333 3.333 . 0 0 "[ ]" 1
400 1 14 LEU MD1 1 15 ASP H . . 6.500 4.042 4.042 4.042 . 0 0 "[ ]" 1
401 1 14 LEU MD2 1 15 ASP H . . 5.500 3.249 3.249 3.249 . 0 0 "[ ]" 1
402 1 14 LEU HB2 1 15 ASP H . . 5.000 4.221 4.221 4.221 . 0 0 "[ ]" 1
403 1 14 LEU HB3 1 15 ASP H . . 5.000 4.138 4.138 4.138 . 0 0 "[ ]" 1
404 1 14 LEU HG 1 15 ASP H . . 4.000 2.380 2.380 2.380 . 0 0 "[ ]" 1
405 1 14 LEU HA 1 15 ASP H . . 3.000 2.182 2.182 2.182 . 0 0 "[ ]" 1
406 1 15 ASP H 1 21 VAL HA . . 4.000 3.452 3.452 3.452 . 0 0 "[ ]" 1
407 1 15 ASP H 1 21 VAL MG2 . . 6.500 3.395 3.395 3.395 . 0 0 "[ ]" 1
408 1 15 ASP H 1 16 PRO QD . . 6.000 3.733 3.733 3.733 . 0 0 "[ ]" 1
409 1 15 ASP H 1 16 PRO QG . . 6.000 5.365 5.365 5.365 . 0 0 "[ ]" 1
410 1 7 ILE MD 1 15 ASP H . . 6.500 5.425 5.425 5.425 . 0 0 "[ ]" 1
411 1 15 ASP H 1 35 PHE QE . . 7.000 3.011 3.011 3.011 . 0 0 "[ ]" 1
412 1 15 ASP H 1 35 PHE HZ . . 5.000 3.282 3.282 3.282 . 0 0 "[ ]" 1
413 1 6 VAL QG 1 17 THR H . . 8.900 4.816 4.816 4.816 . 0 0 "[ ]" 1
414 1 16 PRO QB 1 17 THR H . . 5.000 3.278 3.278 3.278 . 0 0 "[ ]" 1
415 1 16 PRO QG 1 17 THR H . . 6.000 3.624 3.624 3.624 . 0 0 "[ ]" 1
416 1 16 PRO HA 1 17 THR H . . 5.000 3.507 3.507 3.507 . 0 0 "[ ]" 1
417 1 14 LEU MD2 1 17 THR H . . 6.500 4.894 4.894 4.894 . 0 0 "[ ]" 1
418 1 15 ASP HA 1 17 THR H . . 5.000 3.447 3.447 3.447 . 0 0 "[ ]" 1
419 1 17 THR MG 1 18 SER H . . 6.500 3.695 3.695 3.695 . 0 0 "[ ]" 1
420 1 17 THR HB 1 18 SER H . . 4.000 2.267 2.267 2.267 . 0 0 "[ ]" 1
421 1 17 THR HA 1 18 SER H . . 4.000 3.620 3.620 3.620 . 0 0 "[ ]" 1
422 1 15 ASP HB2 1 18 SER H . . 5.000 4.499 4.499 4.499 . 0 0 "[ ]" 1
423 1 15 ASP HB3 1 18 SER H . . 5.000 3.598 3.598 3.598 . 0 0 "[ ]" 1
424 1 17 THR MG 1 19 HIS H . . 6.500 5.019 5.019 5.019 . 0 0 "[ ]" 1
425 1 18 SER HA 1 19 HIS H . . 5.000 3.301 3.301 3.301 . 0 0 "[ ]" 1
426 1 14 LEU MD2 1 19 HIS H . . 6.500 5.418 5.418 5.418 . 0 0 "[ ]" 1
427 1 19 HIS H 1 35 PHE QE . . 6.000 4.299 4.299 4.299 . 0 0 "[ ]" 1
428 1 19 HIS H 1 35 PHE HZ . . 4.000 3.954 3.954 3.954 . 0 0 "[ ]" 1
429 1 14 LEU MD2 1 20 ARG H . . 6.500 4.914 4.914 4.914 . 0 0 "[ ]" 1
430 1 19 HIS HA 1 20 ARG H . . 4.000 2.601 2.601 2.601 . 0 0 "[ ]" 1
431 1 19 HIS HB3 1 20 ARG H . . 5.000 4.402 4.402 4.402 . 0 0 "[ ]" 1
432 1 19 HIS HB2 1 20 ARG H . . 5.000 4.468 4.468 4.468 . 0 0 "[ ]" 1
433 1 15 ASP HB2 1 20 ARG H . . 5.000 4.332 4.332 4.332 . 0 0 "[ ]" 1
434 1 15 ASP HB3 1 20 ARG H . . 4.000 2.589 2.589 2.589 . 0 0 "[ ]" 1
435 1 20 ARG H 1 35 PHE QE . . 6.000 2.937 2.937 2.937 . 0 0 "[ ]" 1
436 1 20 ARG H 1 35 PHE HZ . . 4.000 3.484 3.484 3.484 . 0 0 "[ ]" 1
437 1 20 ARG QD 1 21 VAL H . . 6.000 4.349 4.349 4.349 . 0 0 "[ ]" 1
438 1 20 ARG QB 1 21 VAL H . . 6.000 3.604 3.604 3.604 . 0 0 "[ ]" 1
439 1 20 ARG QG 1 21 VAL H . . 6.000 2.407 2.407 2.407 . 0 0 "[ ]" 1
440 1 20 ARG HA 1 21 VAL H . . 3.000 2.261 2.261 2.261 . 0 0 "[ ]" 1
441 1 13 SER QB 1 22 MET H . . 6.000 3.056 3.056 3.056 . 0 0 "[ ]" 1
442 1 14 LEU HA 1 22 MET H . . 5.000 3.731 3.731 3.731 . 0 0 "[ ]" 1
443 1 21 VAL MG2 1 22 MET H . . 6.500 4.040 4.040 4.040 . 0 0 "[ ]" 1
444 1 21 VAL MG1 1 22 MET H . . 4.500 2.578 2.578 2.578 . 0 0 "[ ]" 1
445 1 21 VAL HB 1 22 MET H . . 5.000 4.154 4.154 4.154 . 0 0 "[ ]" 1
446 1 21 VAL HA 1 22 MET H . . 3.000 2.205 2.205 2.205 . 0 0 "[ ]" 1
447 1 12 LEU MD1 1 22 MET H . . 6.500 3.554 3.554 3.554 . 0 0 "[ ]" 1
448 1 12 LEU MD1 1 23 ALA H . . 6.500 3.443 3.443 3.443 . 0 0 "[ ]" 1
449 1 23 ALA H 1 28 LEU MD1 . . 6.500 2.875 2.875 2.875 . 0 0 "[ ]" 1
450 1 23 ALA H 1 28 LEU MD2 . . 6.500 4.197 4.197 4.197 . 0 0 "[ ]" 1
451 1 23 ALA H 1 28 LEU HG . . 6.000 2.831 2.831 2.831 . 0 0 "[ ]" 1
452 1 23 ALA H 1 27 PRO HA . . 4.000 3.909 3.909 3.909 . 0 0 "[ ]" 1
453 1 22 MET QB 1 23 ALA H . . 6.000 3.486 3.486 3.486 . 0 0 "[ ]" 1
454 1 22 MET QG 1 23 ALA H . . 6.000 4.168 4.168 4.168 . 0 0 "[ ]" 1
455 1 22 MET HA 1 23 ALA H . . 3.000 2.181 2.181 2.181 . 0 0 "[ ]" 1
456 1 12 LEU MD1 1 24 GLY H . . 6.500 3.823 3.823 3.823 . 0 0 "[ ]" 1
457 1 24 GLY H 1 28 LEU MD1 . . 6.500 5.429 5.429 5.429 . 0 0 "[ ]" 1
458 1 23 ALA MB 1 24 GLY H . . 6.500 3.694 3.694 3.694 . 0 0 "[ ]" 1
459 1 23 ALA HA 1 24 GLY H . . 3.000 2.351 2.351 2.351 . 0 0 "[ ]" 1
460 1 22 MET QB 1 24 GLY H . . 6.000 3.694 3.694 3.694 . 0 0 "[ ]" 1
461 1 24 GLY QA 1 25 GLU H . . 4.000 2.620 2.620 2.620 . 0 0 "[ ]" 1
462 1 23 ALA MB 1 26 GLU H . . 6.500 3.683 3.683 3.683 . 0 0 "[ ]" 1
463 1 24 GLY QA 1 26 GLU H . . 6.000 4.113 4.113 4.113 . 0 0 "[ ]" 1
464 1 26 GLU H 1 27 PRO QD . . 6.000 4.163 4.163 4.163 . 0 0 "[ ]" 1
465 1 25 GLU HA 1 26 GLU H . . 4.000 3.588 3.588 3.588 . 0 0 "[ ]" 1
466 1 22 MET HA 1 26 GLU H . . 5.000 5.003 5.003 5.003 0.003 1 0 "[ ]" 1
467 1 22 MET ME 1 26 GLU H . . 6.500 4.793 4.793 4.793 . 0 0 "[ ]" 1
468 1 22 MET QB 1 28 LEU H . . 6.000 5.001 5.001 5.001 . 0 0 "[ ]" 1
469 1 22 MET HA 1 28 LEU H . . 4.000 3.169 3.169 3.169 . 0 0 "[ ]" 1
470 1 27 PRO QB 1 28 LEU H . . 6.000 3.204 3.204 3.204 . 0 0 "[ ]" 1
471 1 27 PRO HA 1 28 LEU H . . 3.000 2.227 2.227 2.227 . 0 0 "[ ]" 1
472 1 28 LEU HB3 1 29 GLU H . . 5.000 3.828 3.828 3.828 . 0 0 "[ ]" 1
473 1 28 LEU HB2 1 29 GLU H . . 5.000 4.478 4.478 4.478 . 0 0 "[ ]" 1
474 1 28 LEU MD1 1 29 GLU H . . 6.500 5.417 5.417 5.417 . 0 0 "[ ]" 1
475 1 28 LEU MD2 1 29 GLU H . . 6.500 3.782 3.782 3.782 . 0 0 "[ ]" 1
476 1 29 GLU HA 1 30 MET H . . 3.000 2.284 2.284 2.284 . 0 0 "[ ]" 1
477 1 31 GLY H 1 32 PRO HD3 . . 5.000 4.941 4.941 4.941 . 0 0 "[ ]" 1
478 1 31 GLY H 1 32 PRO HD2 . . 5.000 4.758 4.758 4.758 . 0 0 "[ ]" 1
479 1 30 MET QG 1 31 GLY H . . 6.000 3.507 3.507 3.507 . 0 0 "[ ]" 1
480 1 30 MET HB2 1 31 GLY H . . 3.000 2.139 2.139 2.139 . 0 0 "[ ]" 1
481 1 30 MET HB3 1 31 GLY H . . 5.000 3.569 3.569 3.569 . 0 0 "[ ]" 1
482 1 30 MET HA 1 31 GLY H . . 3.000 2.640 2.640 2.640 . 0 0 "[ ]" 1
483 1 31 GLY H 1 34 GLU HB2 . . 5.000 2.885 2.885 2.885 . 0 0 "[ ]" 1
484 1 31 GLY H 1 77 LEU QD . . 8.900 5.728 5.728 5.728 . 0 0 "[ ]" 1
485 1 31 GLY H 1 80 ALA MB . . 6.500 4.982 4.982 4.982 . 0 0 "[ ]" 1
486 1 32 PRO HA 1 33 THR H . . 5.000 3.596 3.596 3.596 . 0 0 "[ ]" 1
487 1 32 PRO QB 1 33 THR H . . 6.000 2.921 2.921 2.921 . 0 0 "[ ]" 1
488 1 32 PRO QG 1 33 THR H . . 6.000 2.896 2.896 2.896 . 0 0 "[ ]" 1
489 1 33 THR MG 1 34 GLU H . . 6.500 3.628 3.628 3.628 . 0 0 "[ ]" 1
490 1 33 THR HA 1 34 GLU H . . 5.000 3.613 3.613 3.613 . 0 0 "[ ]" 1
491 1 34 GLU H 1 35 PHE HB2 . . 5.000 5.021 5.021 5.021 0.021 1 0 "[ ]" 1
492 1 34 GLU H 1 35 PHE HB3 . . 5.000 4.895 4.895 4.895 . 0 0 "[ ]" 1
493 1 34 GLU HB2 1 35 PHE H . . 5.000 2.637 2.637 2.637 . 0 0 "[ ]" 1
494 1 34 GLU HB3 1 35 PHE H . . 5.000 3.640 3.640 3.640 . 0 0 "[ ]" 1
495 1 34 GLU HA 1 35 PHE H . . 5.000 3.589 3.589 3.589 . 0 0 "[ ]" 1
496 1 32 PRO HA 1 35 PHE H . . 4.000 3.370 3.370 3.370 . 0 0 "[ ]" 1
497 1 36 LYS H 1 58 VAL MG1 . . 6.500 3.836 3.836 3.836 . 0 0 "[ ]" 1
498 1 36 LYS H 1 58 VAL MG2 . . 6.500 4.762 4.762 4.762 . 0 0 "[ ]" 1
499 1 36 LYS H 1 77 LEU QD . . 8.900 5.209 5.209 5.209 . 0 0 "[ ]" 1
500 1 35 PHE QD 1 36 LYS H . . 6.000 3.488 3.488 3.488 . 0 0 "[ ]" 1
501 1 35 PHE QE 1 36 LYS H . . 7.000 5.664 5.664 5.664 . 0 0 "[ ]" 1
502 1 35 PHE HB2 1 36 LYS H . . 4.000 3.891 3.891 3.891 . 0 0 "[ ]" 1
503 1 35 PHE HB3 1 36 LYS H . . 3.000 2.600 2.600 2.600 . 0 0 "[ ]" 1
504 1 33 THR HA 1 36 LYS H . . 4.000 3.313 3.313 3.313 . 0 0 "[ ]" 1
505 1 32 PRO HA 1 36 LYS H . . 5.000 4.109 4.109 4.109 . 0 0 "[ ]" 1
506 1 37 LEU H 1 58 VAL MG1 . . 5.500 2.651 2.651 2.651 . 0 0 "[ ]" 1
507 1 37 LEU H 1 58 VAL MG2 . . 6.500 3.086 3.086 3.086 . 0 0 "[ ]" 1
508 1 37 LEU H 1 54 LEU MD2 . . 6.500 5.466 5.466 5.466 . 0 0 "[ ]" 1
509 1 37 LEU H 1 77 LEU QD . . 8.900 4.123 4.123 4.123 . 0 0 "[ ]" 1
510 1 36 LYS HB2 1 37 LEU H . . 4.000 2.608 2.608 2.608 . 0 0 "[ ]" 1
511 1 36 LYS HB3 1 37 LEU H . . 5.000 3.291 3.291 3.291 . 0 0 "[ ]" 1
512 1 36 LYS HA 1 37 LEU H . . 5.000 3.648 3.648 3.648 . 0 0 "[ ]" 1
513 1 34 GLU HA 1 37 LEU H . . 4.000 3.521 3.521 3.521 . 0 0 "[ ]" 1
514 1 35 PHE QD 1 37 LEU H . . 7.000 5.642 5.642 5.642 . 0 0 "[ ]" 1
515 1 34 GLU HA 1 38 LEU H . . 5.000 4.215 4.215 4.215 . 0 0 "[ ]" 1
516 1 35 PHE HA 1 38 LEU H . . 5.000 3.557 3.557 3.557 . 0 0 "[ ]" 1
517 1 37 LEU MD1 1 38 LEU H . . 6.500 4.260 4.260 4.260 . 0 0 "[ ]" 1
518 1 37 LEU MD2 1 38 LEU H . . 6.500 4.662 4.662 4.662 . 0 0 "[ ]" 1
519 1 37 LEU HA 1 38 LEU H . . 5.000 3.616 3.616 3.616 . 0 0 "[ ]" 1
520 1 37 LEU QB 1 38 LEU H . . 4.000 2.346 2.346 2.346 . 0 0 "[ ]" 1
521 1 14 LEU MD1 1 38 LEU H . . 6.500 4.717 4.717 4.717 . 0 0 "[ ]" 1
522 1 38 LEU H 1 58 VAL MG1 . . 6.500 5.227 5.227 5.227 . 0 0 "[ ]" 1
523 1 38 LEU H 1 58 VAL MG2 . . 6.500 4.850 4.850 4.850 . 0 0 "[ ]" 1
524 1 38 LEU H 1 77 LEU MD1 . . 5.500 3.465 3.465 3.465 . 0 0 "[ ]" 1
525 1 38 LEU H 1 77 LEU MD2 . . 5.500 2.804 2.804 2.804 . 0 0 "[ ]" 1
526 1 38 LEU H 1 39 HIS HB3 . . 5.000 5.005 5.005 5.005 0.005 1 0 "[ ]" 1
527 1 38 LEU H 1 39 HIS HB2 . . 5.000 5.020 5.020 5.020 0.020 1 0 "[ ]" 1
528 1 35 PHE QD 1 38 LEU H . . 7.000 5.478 5.478 5.478 . 0 0 "[ ]" 1
529 1 14 LEU MD1 1 39 HIS H . . 5.500 3.100 3.100 3.100 . 0 0 "[ ]" 1
530 1 14 LEU MD2 1 39 HIS H . . 6.500 4.469 4.469 4.469 . 0 0 "[ ]" 1
531 1 38 LEU QD 1 39 HIS H . . 8.900 3.874 3.874 3.874 . 0 0 "[ ]" 1
532 1 39 HIS H 1 77 LEU QD . . 8.900 4.563 4.563 4.563 . 0 0 "[ ]" 1
533 1 38 LEU HG 1 39 HIS H . . 5.000 3.739 3.739 3.739 . 0 0 "[ ]" 1
534 1 35 PHE QD 1 39 HIS H . . 7.000 4.483 4.483 4.483 . 0 0 "[ ]" 1
535 1 38 LEU HB3 1 39 HIS H . . 5.000 2.470 2.470 2.470 . 0 0 "[ ]" 1
536 1 38 LEU HB2 1 39 HIS H . . 5.000 3.811 3.811 3.811 . 0 0 "[ ]" 1
537 1 38 LEU HA 1 39 HIS H . . 5.000 3.604 3.604 3.604 . 0 0 "[ ]" 1
538 1 36 LYS HA 1 39 HIS H . . 4.000 3.431 3.431 3.431 . 0 0 "[ ]" 1
539 1 39 HIS HB3 1 40 PHE H . . 5.000 2.445 2.445 2.445 . 0 0 "[ ]" 1
540 1 39 HIS HB2 1 40 PHE H . . 4.000 3.758 3.758 3.758 . 0 0 "[ ]" 1
541 1 39 HIS HA 1 40 PHE H . . 5.000 3.597 3.597 3.597 . 0 0 "[ ]" 1
542 1 36 LYS HA 1 40 PHE H . . 5.000 3.718 3.718 3.718 . 0 0 "[ ]" 1
543 1 37 LEU HA 1 40 PHE H . . 5.000 3.826 3.826 3.826 . 0 0 "[ ]" 1
544 1 14 LEU MD1 1 40 PHE H . . 6.500 4.979 4.979 4.979 . 0 0 "[ ]" 1
545 1 40 PHE H 1 58 VAL MG2 . . 6.500 3.839 3.839 3.839 . 0 0 "[ ]" 1
546 1 40 PHE H 1 58 VAL MG1 . . 6.500 5.434 5.434 5.434 . 0 0 "[ ]" 1
547 1 41 PHE H 1 58 VAL MG2 . . 6.500 4.833 4.833 4.833 . 0 0 "[ ]" 1
548 1 38 LEU QD 1 41 PHE H . . 8.900 4.383 4.383 4.383 . 0 0 "[ ]" 1
549 1 38 LEU QB 1 41 PHE H . . 6.000 4.919 4.919 4.919 . 0 0 "[ ]" 1
550 1 38 LEU HA 1 41 PHE H . . 4.000 3.426 3.426 3.426 . 0 0 "[ ]" 1
551 1 37 LEU HA 1 41 PHE H . . 5.000 4.026 4.026 4.026 . 0 0 "[ ]" 1
552 1 40 PHE HA 1 41 PHE H . . 5.000 3.586 3.586 3.586 . 0 0 "[ ]" 1
553 1 40 PHE HB2 1 41 PHE H . . 5.000 3.893 3.893 3.893 . 0 0 "[ ]" 1
554 1 40 PHE HB3 1 41 PHE H . . 3.000 2.586 2.586 2.586 . 0 0 "[ ]" 1
555 1 40 PHE QD 1 41 PHE H . . 6.000 3.790 3.790 3.790 . 0 0 "[ ]" 1
556 1 40 PHE QE 1 41 PHE H . . 7.000 5.759 5.759 5.759 . 0 0 "[ ]" 1
557 1 41 PHE H 1 77 LEU QD . . 8.900 5.045 5.045 5.045 . 0 0 "[ ]" 1
558 1 41 PHE H 1 100 PHE QD . . 7.000 5.619 5.619 5.619 . 0 0 "[ ]" 1
559 1 42 MET H 1 43 THR MG . . 6.500 4.597 4.597 4.597 . 0 0 "[ ]" 1
560 1 38 LEU QD 1 42 MET H . . 8.900 3.949 3.949 3.949 . 0 0 "[ ]" 1
561 1 38 LEU HG 1 42 MET H . . 5.000 4.391 4.391 4.391 . 0 0 "[ ]" 1
562 1 41 PHE QB 1 42 MET H . . 5.000 2.693 2.693 2.693 . 0 0 "[ ]" 1
563 1 41 PHE HA 1 42 MET H . . 5.000 3.582 3.582 3.582 . 0 0 "[ ]" 1
564 1 39 HIS HA 1 42 MET H . . 5.000 3.418 3.418 3.418 . 0 0 "[ ]" 1
565 1 38 LEU HA 1 42 MET H . . 5.000 4.090 4.090 4.090 . 0 0 "[ ]" 1
566 1 42 MET H 1 100 PHE QD . . 7.000 4.705 4.705 4.705 . 0 0 "[ ]" 1
567 1 7 ILE MG 1 42 MET H . . 6.500 5.183 5.183 5.183 . 0 0 "[ ]" 1
568 1 14 LEU MD1 1 42 MET H . . 6.500 4.598 4.598 4.598 . 0 0 "[ ]" 1
569 1 42 MET HB2 1 43 THR H . . 5.000 2.777 2.777 2.777 . 0 0 "[ ]" 1
570 1 42 MET HB3 1 43 THR H . . 5.000 3.426 3.426 3.426 . 0 0 "[ ]" 1
571 1 42 MET QG 1 43 THR H . . 6.000 4.306 4.306 4.306 . 0 0 "[ ]" 1
572 1 42 MET HA 1 43 THR H . . 5.000 3.613 3.613 3.613 . 0 0 "[ ]" 1
573 1 7 ILE MD 1 43 THR H . . 6.500 4.490 4.490 4.490 . 0 0 "[ ]" 1
574 1 43 THR H 1 45 PRO QD . . 6.000 4.460 4.460 4.460 . 0 0 "[ ]" 1
575 1 40 PHE HA 1 43 THR H . . 5.000 3.425 3.425 3.425 . 0 0 "[ ]" 1
576 1 43 THR MG 1 44 HIS H . . 6.500 4.304 4.304 4.304 . 0 0 "[ ]" 1
577 1 43 THR HA 1 44 HIS H . . 5.000 3.436 3.436 3.436 . 0 0 "[ ]" 1
578 1 42 MET HB2 1 44 HIS H . . 5.000 4.793 4.793 4.793 . 0 0 "[ ]" 1
579 1 44 HIS H 1 45 PRO QD . . 6.000 2.799 2.799 2.799 . 0 0 "[ ]" 1
580 1 44 HIS H 1 45 PRO QG . . 5.000 4.472 4.472 4.472 . 0 0 "[ ]" 1
581 1 45 PRO QG 1 46 GLU H . . 6.000 4.623 4.623 4.623 . 0 0 "[ ]" 1
582 1 45 PRO HA 1 46 GLU H . . 5.000 2.325 2.325 2.325 . 0 0 "[ ]" 1
583 1 46 GLU H 1 100 PHE HB2 . . 5.000 4.499 4.499 4.499 . 0 0 "[ ]" 1
584 1 46 GLU H 1 99 ARG QG . . 6.000 3.634 3.634 3.634 . 0 0 "[ ]" 1
585 1 46 GLU H 1 100 PHE QD . . 7.000 3.989 3.989 3.989 . 0 0 "[ ]" 1
586 1 47 ARG H 1 99 ARG QG . . 6.000 2.063 2.063 2.063 . 0 0 "[ ]" 1
587 1 45 PRO HA 1 47 ARG H . . 5.000 4.240 4.240 4.240 . 0 0 "[ ]" 1
588 1 46 GLU QG 1 47 ARG H . . 6.000 4.711 4.711 4.711 . 0 0 "[ ]" 1
589 1 46 GLU QB 1 47 ARG H . . 6.000 3.979 3.979 3.979 . 0 0 "[ ]" 1
590 1 46 GLU HA 1 47 ARG H . . 4.000 2.500 2.500 2.500 . 0 0 "[ ]" 1
591 1 47 ARG QG 1 48 VAL H . . 6.000 2.814 2.814 2.814 . 0 0 "[ ]" 1
592 1 47 ARG QB 1 48 VAL H . . 6.000 3.856 3.856 3.856 . 0 0 "[ ]" 1
593 1 47 ARG QD 1 48 VAL H . . 6.000 4.866 4.866 4.866 . 0 0 "[ ]" 1
594 1 47 ARG HA 1 48 VAL H . . 3.000 2.169 2.169 2.169 . 0 0 "[ ]" 1
595 1 48 VAL MG2 1 49 TYR H . . 6.500 4.117 4.117 4.117 . 0 0 "[ ]" 1
596 1 48 VAL MG1 1 49 TYR H . . 4.500 2.754 2.754 2.754 . 0 0 "[ ]" 1
597 1 48 VAL HB 1 49 TYR H . . 5.000 4.236 4.236 4.236 . 0 0 "[ ]" 1
598 1 48 VAL HA 1 49 TYR H . . 3.000 2.173 2.173 2.173 . 0 0 "[ ]" 1
599 1 49 TYR H 1 54 LEU MD2 . . 6.500 5.314 5.314 5.314 . 0 0 "[ ]" 1
600 1 49 TYR H 1 99 ARG HA . . 5.000 3.646 3.646 3.646 . 0 0 "[ ]" 1
601 1 49 TYR H 1 99 ARG QB . . 6.000 3.720 3.720 3.720 . 0 0 "[ ]" 1
602 1 48 VAL MG1 1 50 SER H . . 6.500 4.287 4.287 4.287 . 0 0 "[ ]" 1
603 1 49 TYR HB3 1 50 SER H . . 5.000 3.373 3.373 3.373 . 0 0 "[ ]" 1
604 1 49 TYR HB2 1 50 SER H . . 5.000 4.389 4.389 4.389 . 0 0 "[ ]" 1
605 1 49 TYR HA 1 50 SER H . . 3.000 2.162 2.162 2.162 . 0 0 "[ ]" 1
606 1 49 TYR QD 1 50 SER H . . 6.000 3.404 3.404 3.404 . 0 0 "[ ]" 1
607 1 50 SER H 1 53 GLN HB2 . . 5.000 2.529 2.529 2.529 . 0 0 "[ ]" 1
608 1 50 SER H 1 53 GLN HB3 . . 5.000 3.948 3.948 3.948 . 0 0 "[ ]" 1
609 1 50 SER H 1 54 LEU MD1 . . 6.500 5.174 5.174 5.174 . 0 0 "[ ]" 1
610 1 50 SER H 1 54 LEU MD2 . . 6.500 5.424 5.424 5.424 . 0 0 "[ ]" 1
611 1 50 SER H 1 54 LEU HG . . 5.000 4.564 4.564 4.564 . 0 0 "[ ]" 1
612 1 51 ARG H 1 70 VAL MG2 . . 6.500 4.934 4.934 4.934 . 0 0 "[ ]" 1
613 1 51 ARG H 1 70 VAL MG1 . . 6.500 4.534 4.534 4.534 . 0 0 "[ ]" 1
614 1 51 ARG H 1 97 GLY HA3 . . 5.000 4.354 4.354 4.354 . 0 0 "[ ]" 1
615 1 51 ARG H 1 97 GLY HA2 . . 5.000 3.254 3.254 3.254 . 0 0 "[ ]" 1
616 1 51 ARG H 1 98 TYR QE . . 7.000 3.597 3.597 3.597 . 0 0 "[ ]" 1
617 1 51 ARG H 1 96 THR MG . . 6.500 5.367 5.367 5.367 . 0 0 "[ ]" 1
618 1 50 SER HB2 1 51 ARG H . . 3.000 2.433 2.433 2.433 . 0 0 "[ ]" 1
619 1 50 SER HB3 1 51 ARG H . . 5.000 3.805 3.805 3.805 . 0 0 "[ ]" 1
620 1 50 SER HA 1 51 ARG H . . 3.000 2.458 2.458 2.458 . 0 0 "[ ]" 1
621 1 51 ARG HE 1 98 TYR QE . . 7.000 3.463 3.463 3.463 . 0 0 "[ ]" 1
622 1 52 GLU H 1 55 LEU MD1 . . 6.500 3.909 3.909 3.909 . 0 0 "[ ]" 1
623 1 50 SER HB2 1 52 GLU H . . 5.000 2.963 2.963 2.963 . 0 0 "[ ]" 1
624 1 50 SER HA 1 52 GLU H . . 5.000 4.461 4.461 4.461 . 0 0 "[ ]" 1
625 1 51 ARG HA 1 52 GLU H . . 5.000 3.576 3.576 3.576 . 0 0 "[ ]" 1
626 1 52 GLU H 1 55 LEU HG . . 5.000 5.043 5.043 5.043 0.043 1 0 "[ ]" 1
627 1 52 GLU QG 1 53 GLN H . . 6.000 4.105 4.105 4.105 . 0 0 "[ ]" 1
628 1 52 GLU HA 1 53 GLN H . . 5.000 3.624 3.624 3.624 . 0 0 "[ ]" 1
629 1 50 SER HB2 1 53 GLN H . . 5.000 3.776 3.776 3.776 . 0 0 "[ ]" 1
630 1 53 GLN H 1 54 LEU MD2 . . 6.500 5.448 5.448 5.448 . 0 0 "[ ]" 1
631 1 53 GLN H 1 54 LEU HG . . 5.000 4.447 4.447 4.447 . 0 0 "[ ]" 1
632 1 49 TYR QD 1 53 GLN H . . 6.000 4.911 4.911 4.911 . 0 0 "[ ]" 1
633 1 49 TYR QD 1 53 GLN QE . . 8.000 2.713 2.713 2.713 . 0 0 "[ ]" 1
634 1 50 SER H 1 53 GLN QE . . 6.000 4.886 4.886 4.886 . 0 0 "[ ]" 1
635 1 53 GLN HB2 1 54 LEU H . . 4.000 2.480 2.480 2.480 . 0 0 "[ ]" 1
636 1 53 GLN HB3 1 54 LEU H . . 5.000 3.285 3.285 3.285 . 0 0 "[ ]" 1
637 1 54 LEU H 1 55 LEU MD1 . . 6.500 5.336 5.336 5.336 . 0 0 "[ ]" 1
638 1 54 LEU H 1 55 LEU HG . . 5.000 4.734 4.734 4.734 . 0 0 "[ ]" 1
639 1 53 GLN HA 1 54 LEU H . . 5.000 3.606 3.606 3.606 . 0 0 "[ ]" 1
640 1 51 ARG HA 1 54 LEU H . . 5.000 3.620 3.620 3.620 . 0 0 "[ ]" 1
641 1 54 LEU H 1 70 VAL MG2 . . 6.500 4.916 4.916 4.916 . 0 0 "[ ]" 1
642 1 55 LEU H 1 70 VAL MG2 . . 5.500 3.566 3.566 3.566 . 0 0 "[ ]" 1
643 1 55 LEU H 1 70 VAL MG1 . . 6.500 4.271 4.271 4.271 . 0 0 "[ ]" 1
644 1 52 GLU HA 1 55 LEU H . . 4.000 3.660 3.660 3.660 . 0 0 "[ ]" 1
645 1 54 LEU MD1 1 55 LEU H . . 6.500 4.537 4.537 4.537 . 0 0 "[ ]" 1
646 1 54 LEU HB2 1 55 LEU H . . 4.000 2.598 2.598 2.598 . 0 0 "[ ]" 1
647 1 54 LEU HB3 1 55 LEU H . . 5.000 3.587 3.587 3.587 . 0 0 "[ ]" 1
648 1 54 LEU HA 1 55 LEU H . . 5.000 3.608 3.608 3.608 . 0 0 "[ ]" 1
649 1 51 ARG HA 1 55 LEU H . . 5.000 3.957 3.957 3.957 . 0 0 "[ ]" 1
650 1 55 LEU H 1 59 TRP HZ3 . . 7.000 4.506 4.506 4.506 . 0 0 "[ ]" 1
651 1 56 ASN H 1 61 THR MG . . 6.500 3.884 3.884 3.884 . 0 0 "[ ]" 1
652 1 55 LEU HG 1 56 ASN H . . 5.000 4.486 4.486 4.486 . 0 0 "[ ]" 1
653 1 55 LEU MD2 1 56 ASN H . . 6.500 4.739 4.739 4.739 . 0 0 "[ ]" 1
654 1 55 LEU MD1 1 56 ASN H . . 6.500 4.550 4.550 4.550 . 0 0 "[ ]" 1
655 1 55 LEU HB3 1 56 ASN H . . 5.000 3.563 3.563 3.563 . 0 0 "[ ]" 1
656 1 55 LEU HB2 1 56 ASN H . . 4.000 2.661 2.661 2.661 . 0 0 "[ ]" 1
657 1 55 LEU HA 1 56 ASN H . . 5.000 3.607 3.607 3.607 . 0 0 "[ ]" 1
658 1 53 GLN HA 1 56 ASN H . . 5.000 3.368 3.368 3.368 . 0 0 "[ ]" 1
659 1 52 GLU HA 1 56 ASN H . . 5.000 4.077 4.077 4.077 . 0 0 "[ ]" 1
660 1 56 ASN H 1 57 HIS HB2 . . 5.000 4.510 4.510 4.510 . 0 0 "[ ]" 1
661 1 55 LEU MD2 1 56 ASN QD . . 7.500 5.186 5.186 5.186 . 0 0 "[ ]" 1
662 1 56 ASN QD 1 61 THR MG . . 6.500 2.718 2.718 2.718 . 0 0 "[ ]" 1
663 1 52 GLU QG 1 56 ASN QD . . 7.000 4.215 4.215 4.215 . 0 0 "[ ]" 1
664 1 56 ASN HB2 1 57 HIS H . . 4.000 3.628 3.628 3.628 . 0 0 "[ ]" 1
665 1 56 ASN HB3 1 57 HIS H . . 4.000 4.036 4.036 4.036 0.036 1 0 "[ ]" 1
666 1 56 ASN HA 1 57 HIS H . . 5.000 3.373 3.373 3.373 . 0 0 "[ ]" 1
667 1 57 HIS H 1 58 VAL HB . . 5.000 4.267 4.267 4.267 . 0 0 "[ ]" 1
668 1 57 HIS H 1 58 VAL MG2 . . 6.500 4.358 4.358 4.358 . 0 0 "[ ]" 1
669 1 57 HIS H 1 58 VAL MG1 . . 6.500 5.406 5.406 5.406 . 0 0 "[ ]" 1
670 1 54 LEU MD2 1 57 HIS H . . 6.500 4.892 4.892 4.892 . 0 0 "[ ]" 1
671 1 55 LEU HB3 1 57 HIS H . . 5.000 5.068 5.068 5.068 0.068 1 0 "[ ]" 1
672 1 54 LEU HA 1 57 HIS H . . 4.000 3.465 3.465 3.465 . 0 0 "[ ]" 1
673 1 57 HIS HB2 1 58 VAL H . . 5.000 2.165 2.165 2.165 . 0 0 "[ ]" 1
674 1 57 HIS HB3 1 58 VAL H . . 5.000 2.826 2.826 2.826 . 0 0 "[ ]" 1
675 1 57 HIS HA 1 58 VAL H . . 5.000 3.590 3.590 3.590 . 0 0 "[ ]" 1
676 1 58 VAL H 1 59 TRP HZ3 . . 7.000 4.534 4.534 4.534 . 0 0 "[ ]" 1
677 1 58 VAL MG2 1 59 TRP H . . 6.500 3.914 3.914 3.914 . 0 0 "[ ]" 1
678 1 58 VAL MG1 1 59 TRP H . . 6.500 3.036 3.036 3.036 . 0 0 "[ ]" 1
679 1 58 VAL HB 1 59 TRP H . . 4.000 2.462 2.462 2.462 . 0 0 "[ ]" 1
680 1 55 LEU MD2 1 59 TRP H . . 6.500 3.987 3.987 3.987 . 0 0 "[ ]" 1
681 1 55 LEU HA 1 59 TRP H . . 5.000 2.839 2.839 2.839 . 0 0 "[ ]" 1
682 1 58 VAL MG1 1 59 TRP HE1 . . 6.500 5.013 5.013 5.013 . 0 0 "[ ]" 1
683 1 33 THR MG 1 59 TRP HE1 . . 5.500 2.944 2.944 2.944 . 0 0 "[ ]" 1
684 1 59 TRP HE1 1 65 VAL MG2 . . 6.500 3.188 3.188 3.188 . 0 0 "[ ]" 1
685 1 59 TRP HE1 1 65 VAL MG1 . . 6.500 3.614 3.614 3.614 . 0 0 "[ ]" 1
686 1 59 TRP HE1 1 69 THR MG . . 5.500 2.538 2.538 2.538 . 0 0 "[ ]" 1
687 1 59 TRP HE1 1 63 VAL QG . . 8.900 4.656 4.656 4.656 . 0 0 "[ ]" 1
688 1 59 TRP HB2 1 60 GLY H . . 5.000 3.041 3.041 3.041 . 0 0 "[ ]" 1
689 1 59 TRP HB3 1 60 GLY H . . 5.000 3.868 3.868 3.868 . 0 0 "[ ]" 1
690 1 59 TRP HA 1 60 GLY H . . 5.000 3.516 3.516 3.516 . 0 0 "[ ]" 1
691 1 58 VAL HB 1 60 GLY H . . 5.000 4.527 4.527 4.527 . 0 0 "[ ]" 1
692 1 58 VAL MG2 1 60 GLY H . . 6.500 5.101 5.101 5.101 . 0 0 "[ ]" 1
693 1 58 VAL MG1 1 60 GLY H . . 6.500 4.697 4.697 4.697 . 0 0 "[ ]" 1
694 1 55 LEU MD2 1 60 GLY H . . 6.500 5.144 5.144 5.144 . 0 0 "[ ]" 1
695 1 55 LEU MD2 1 61 THR H . . 6.500 4.495 4.495 4.495 . 0 0 "[ ]" 1
696 1 59 TRP HB2 1 61 THR H . . 5.000 2.956 2.956 2.956 . 0 0 "[ ]" 1
697 1 59 TRP HB3 1 61 THR H . . 5.000 3.263 3.263 3.263 . 0 0 "[ ]" 1
698 1 60 GLY QA 1 61 THR H . . 6.000 2.810 2.810 2.810 . 0 0 "[ ]" 1
699 1 61 THR H 1 63 VAL QG . . 8.900 5.410 5.410 5.410 . 0 0 "[ ]" 1
700 1 61 THR HB 1 62 ASN H . . 5.000 4.485 4.485 4.485 . 0 0 "[ ]" 1
701 1 61 THR MG 1 62 ASN H . . 6.500 4.406 4.406 4.406 . 0 0 "[ ]" 1
702 1 61 THR HA 1 62 ASN H . . 4.000 2.875 2.875 2.875 . 0 0 "[ ]" 1
703 1 62 ASN H 1 63 VAL QG . . 8.900 3.701 3.701 3.701 . 0 0 "[ ]" 1
704 1 62 ASN QD 1 65 VAL QG . . 9.900 4.910 4.910 4.910 . 0 0 "[ ]" 1
705 1 62 ASN QB 1 63 VAL H . . 6.000 2.645 2.645 2.645 . 0 0 "[ ]" 1
706 1 62 ASN HA 1 63 VAL H . . 4.000 3.554 3.554 3.554 . 0 0 "[ ]" 1
707 1 61 THR MG 1 63 VAL H . . 6.500 5.078 5.078 5.078 . 0 0 "[ ]" 1
708 1 61 THR HA 1 63 VAL H . . 5.000 3.423 3.423 3.423 . 0 0 "[ ]" 1
709 1 63 VAL H 1 65 VAL QG . . 8.900 3.591 3.591 3.591 . 0 0 "[ ]" 1
710 1 63 VAL QG 1 64 TYR H . . 7.900 3.339 3.339 3.339 . 0 0 "[ ]" 1
711 1 63 VAL HA 1 64 TYR H . . 3.000 2.272 2.272 2.272 . 0 0 "[ ]" 1
712 1 63 VAL HB 1 64 TYR H . . 4.000 3.013 3.013 3.013 . 0 0 "[ ]" 1
713 1 64 TYR H 1 65 VAL QG . . 8.900 3.990 3.990 3.990 . 0 0 "[ ]" 1
714 1 55 LEU MD2 1 65 VAL H . . 6.500 3.954 3.954 3.954 . 0 0 "[ ]" 1
715 1 64 TYR QD 1 65 VAL H . . 7.000 4.477 4.477 4.477 . 0 0 "[ ]" 1
716 1 64 TYR QB 1 65 VAL H . . 6.000 4.079 4.079 4.079 . 0 0 "[ ]" 1
717 1 64 TYR HA 1 65 VAL H . . 3.000 2.439 2.439 2.439 . 0 0 "[ ]" 1
718 1 63 VAL QG 1 65 VAL H . . 8.900 3.407 3.407 3.407 . 0 0 "[ ]" 1
719 1 63 VAL HA 1 65 VAL H . . 5.000 4.789 4.789 4.789 . 0 0 "[ ]" 1
720 1 65 VAL HB 1 66 GLU H . . 4.000 2.570 2.570 2.570 . 0 0 "[ ]" 1
721 1 65 VAL QG 1 66 GLU H . . 7.900 3.264 3.264 3.264 . 0 0 "[ ]" 1
722 1 65 VAL HA 1 66 GLU H . . 3.000 2.383 2.383 2.383 . 0 0 "[ ]" 1
723 1 66 GLU H 1 69 THR MG . . 6.500 4.237 4.237 4.237 . 0 0 "[ ]" 1
724 1 66 GLU HA 1 67 ASP H . . 3.000 2.343 2.343 2.343 . 0 0 "[ ]" 1
725 1 66 GLU QB 1 67 ASP H . . 6.000 2.616 2.616 2.616 . 0 0 "[ ]" 1
726 1 66 GLU QG 1 67 ASP H . . 6.000 3.901 3.901 3.901 . 0 0 "[ ]" 1
727 1 55 LEU MD1 1 67 ASP H . . 6.500 4.310 4.310 4.310 . 0 0 "[ ]" 1
728 1 67 ASP HB3 1 68 ARG H . . 5.000 3.196 3.196 3.196 . 0 0 "[ ]" 1
729 1 67 ASP HB2 1 68 ARG H . . 5.000 3.049 3.049 3.049 . 0 0 "[ ]" 1
730 1 67 ASP HA 1 68 ARG H . . 4.000 3.534 3.534 3.534 . 0 0 "[ ]" 1
731 1 66 GLU QB 1 68 ARG H . . 6.000 2.469 2.469 2.469 . 0 0 "[ ]" 1
732 1 66 GLU QG 1 68 ARG H . . 6.000 4.604 4.604 4.604 . 0 0 "[ ]" 1
733 1 68 ARG H 1 69 THR HB . . 6.000 5.074 5.074 5.074 . 0 0 "[ ]" 1
734 1 55 LEU MD1 1 68 ARG H . . 6.500 5.433 5.433 5.433 . 0 0 "[ ]" 1
735 1 66 GLU QB 1 69 THR H . . 6.000 2.756 2.756 2.756 . 0 0 "[ ]" 1
736 1 66 GLU QG 1 69 THR H . . 6.000 4.791 4.791 4.791 . 0 0 "[ ]" 1
737 1 68 ARG QB 1 69 THR H . . 6.000 2.671 2.671 2.671 . 0 0 "[ ]" 1
738 1 68 ARG QG 1 69 THR H . . 6.000 3.811 3.811 3.811 . 0 0 "[ ]" 1
739 1 68 ARG QD 1 69 THR H . . 6.000 5.258 5.258 5.258 . 0 0 "[ ]" 1
740 1 68 ARG HA 1 69 THR H . . 4.000 3.581 3.581 3.581 . 0 0 "[ ]" 1
741 1 69 THR H 1 70 VAL MG2 . . 6.500 4.030 4.030 4.030 . 0 0 "[ ]" 1
742 1 55 LEU MD2 1 69 THR H . . 6.500 4.990 4.990 4.990 . 0 0 "[ ]" 1
743 1 65 VAL QG 1 69 THR H . . 8.900 4.452 4.452 4.452 . 0 0 "[ ]" 1
744 1 55 LEU MD2 1 70 VAL H . . 6.500 3.844 3.844 3.844 . 0 0 "[ ]" 1
745 1 55 LEU MD1 1 70 VAL H . . 6.500 4.227 4.227 4.227 . 0 0 "[ ]" 1
746 1 68 ARG HA 1 70 VAL H . . 5.000 4.066 4.066 4.066 . 0 0 "[ ]" 1
747 1 69 THR HA 1 70 VAL H . . 5.000 3.584 3.584 3.584 . 0 0 "[ ]" 1
748 1 69 THR MG 1 70 VAL H . . 6.500 3.772 3.772 3.772 . 0 0 "[ ]" 1
749 1 59 TRP HZ2 1 70 VAL H . . 5.000 4.897 4.897 4.897 . 0 0 "[ ]" 1
750 1 70 VAL MG2 1 71 ASP H . . 6.500 3.762 3.762 3.762 . 0 0 "[ ]" 1
751 1 70 VAL MG1 1 71 ASP H . . 6.500 3.458 3.458 3.458 . 0 0 "[ ]" 1
752 1 70 VAL HB 1 71 ASP H . . 4.000 2.492 2.492 2.492 . 0 0 "[ ]" 1
753 1 71 ASP H 1 72 VAL MG2 . . 6.500 4.294 4.294 4.294 . 0 0 "[ ]" 1
754 1 68 ARG QB 1 71 ASP H . . 6.000 5.016 5.016 5.016 . 0 0 "[ ]" 1
755 1 70 VAL HA 1 71 ASP H . . 5.000 3.609 3.609 3.609 . 0 0 "[ ]" 1
756 1 69 THR HA 1 71 ASP H . . 5.000 4.506 4.506 4.506 . 0 0 "[ ]" 1
757 1 68 ARG HA 1 71 ASP H . . 5.000 3.330 3.330 3.330 . 0 0 "[ ]" 1
758 1 71 ASP HB2 1 72 VAL H . . 3.000 2.710 2.710 2.710 . 0 0 "[ ]" 1
759 1 71 ASP HB3 1 72 VAL H . . 5.000 3.850 3.850 3.850 . 0 0 "[ ]" 1
760 1 71 ASP HA 1 72 VAL H . . 5.000 3.583 3.583 3.583 . 0 0 "[ ]" 1
761 1 69 THR HA 1 72 VAL H . . 5.000 3.235 3.235 3.235 . 0 0 "[ ]" 1
762 1 72 VAL H 1 73 HIS HB2 . . 5.000 4.871 4.871 4.871 . 0 0 "[ ]" 1
763 1 33 THR MG 1 73 HIS H . . 6.500 4.940 4.940 4.940 . 0 0 "[ ]" 1
764 1 72 VAL MG2 1 73 HIS H . . 6.500 3.945 3.945 3.945 . 0 0 "[ ]" 1
765 1 72 VAL MG1 1 73 HIS H . . 5.500 2.955 2.955 2.955 . 0 0 "[ ]" 1
766 1 72 VAL HB 1 73 HIS H . . 3.000 2.479 2.479 2.479 . 0 0 "[ ]" 1
767 1 70 VAL MG2 1 73 HIS H . . 6.500 5.333 5.333 5.333 . 0 0 "[ ]" 1
768 1 70 VAL MG1 1 73 HIS H . . 6.500 4.840 4.840 4.840 . 0 0 "[ ]" 1
769 1 70 VAL HA 1 73 HIS H . . 5.000 3.612 3.612 3.612 . 0 0 "[ ]" 1
770 1 72 VAL HA 1 73 HIS H . . 5.000 3.636 3.636 3.636 . 0 0 "[ ]" 1
771 1 69 THR HA 1 73 HIS H . . 5.000 4.132 4.132 4.132 . 0 0 "[ ]" 1
772 1 59 TRP HZ2 1 73 HIS H . . 4.000 3.762 3.762 3.762 . 0 0 "[ ]" 1
773 1 70 VAL HA 1 74 ILE H . . 5.000 4.012 4.012 4.012 . 0 0 "[ ]" 1
774 1 71 ASP HA 1 74 ILE H . . 5.000 3.449 3.449 3.449 . 0 0 "[ ]" 1
775 1 73 HIS HA 1 74 ILE H . . 5.000 3.586 3.586 3.586 . 0 0 "[ ]" 1
776 1 73 HIS HB2 1 74 ILE H . . 5.000 2.881 2.881 2.881 . 0 0 "[ ]" 1
777 1 73 HIS HB3 1 74 ILE H . . 5.000 3.675 3.675 3.675 . 0 0 "[ ]" 1
778 1 72 VAL HA 1 74 ILE H . . 5.000 4.501 4.501 4.501 . 0 0 "[ ]" 1
779 1 59 TRP HZ2 1 74 ILE H . . 5.000 4.947 4.947 4.947 . 0 0 "[ ]" 1
780 1 74 ILE HB 1 75 ARG H . . 4.000 2.712 2.712 2.712 . 0 0 "[ ]" 1
781 1 74 ILE MD 1 75 ARG H . . 6.500 4.815 4.815 4.815 . 0 0 "[ ]" 1
782 1 74 ILE MG 1 75 ARG H . . 5.500 3.155 3.155 3.155 . 0 0 "[ ]" 1
783 1 74 ILE QG 1 75 ARG H . . 6.500 4.234 4.234 4.234 . 0 0 "[ ]" 1
784 1 74 ILE HA 1 75 ARG H . . 5.000 3.596 3.596 3.596 . 0 0 "[ ]" 1
785 1 72 VAL HA 1 75 ARG H . . 5.000 3.600 3.600 3.600 . 0 0 "[ ]" 1
786 1 71 ASP HA 1 75 ARG H . . 5.000 3.849 3.849 3.849 . 0 0 "[ ]" 1
787 1 72 VAL MG1 1 76 ARG H . . 6.500 4.266 4.266 4.266 . 0 0 "[ ]" 1
788 1 76 ARG H 1 77 LEU QD . . 8.900 5.633 5.633 5.633 . 0 0 "[ ]" 1
789 1 75 ARG QD 1 76 ARG H . . 6.000 4.672 4.672 4.672 . 0 0 "[ ]" 1
790 1 75 ARG HA 1 76 ARG H . . 5.000 3.601 3.601 3.601 . 0 0 "[ ]" 1
791 1 73 HIS HA 1 76 ARG H . . 4.000 3.143 3.143 3.143 . 0 0 "[ ]" 1
792 1 72 VAL HA 1 76 ARG H . . 5.000 4.378 4.378 4.378 . 0 0 "[ ]" 1
793 1 38 LEU QD 1 77 LEU H . . 8.900 6.605 6.605 6.605 . 0 0 "[ ]" 1
794 1 76 ARG HB2 1 77 LEU H . . 4.000 2.540 2.540 2.540 . 0 0 "[ ]" 1
795 1 76 ARG HB3 1 77 LEU H . . 5.000 3.383 3.383 3.383 . 0 0 "[ ]" 1
796 1 76 ARG HA 1 77 LEU H . . 5.000 3.613 3.613 3.613 . 0 0 "[ ]" 1
797 1 74 ILE MD 1 77 LEU H . . 6.500 4.963 4.963 4.963 . 0 0 "[ ]" 1
798 1 74 ILE MG 1 77 LEU H . . 6.500 4.688 4.688 4.688 . 0 0 "[ ]" 1
799 1 74 ILE HA 1 77 LEU H . . 4.000 3.385 3.385 3.385 . 0 0 "[ ]" 1
800 1 73 HIS HA 1 77 LEU H . . 5.000 3.986 3.986 3.986 . 0 0 "[ ]" 1
801 1 77 LEU QD 1 78 ARG H . . 8.900 3.685 3.685 3.685 . 0 0 "[ ]" 1
802 1 77 LEU HB2 1 78 ARG H . . 5.000 3.890 3.890 3.890 . 0 0 "[ ]" 1
803 1 77 LEU HB3 1 78 ARG H . . 3.000 2.464 2.464 2.464 . 0 0 "[ ]" 1
804 1 77 LEU HA 1 78 ARG H . . 5.000 3.619 3.619 3.619 . 0 0 "[ ]" 1
805 1 38 LEU QD 1 78 ARG H . . 8.900 6.236 6.236 6.236 . 0 0 "[ ]" 1
806 1 74 ILE MD 1 78 ARG H . . 6.500 4.795 4.795 4.795 . 0 0 "[ ]" 1
807 1 74 ILE MG 1 78 ARG H . . 6.500 3.767 3.767 3.767 . 0 0 "[ ]" 1
808 1 74 ILE HA 1 78 ARG H . . 5.000 3.909 3.909 3.909 . 0 0 "[ ]" 1
809 1 75 ARG HA 1 78 ARG H . . 4.000 3.522 3.522 3.522 . 0 0 "[ ]" 1
810 1 78 ARG H 1 81 LEU QD . . 8.900 4.194 4.194 4.194 . 0 0 "[ ]" 1
811 1 78 ARG HE 1 90 VAL MG1 . . 5.500 4.497 4.497 4.497 . 0 0 "[ ]" 1
812 1 78 ARG HE 1 90 VAL MG2 . . 6.500 4.968 4.968 4.968 . 0 0 "[ ]" 1
813 1 78 ARG HE 1 90 VAL HB . . 5.000 3.720 3.720 3.720 . 0 0 "[ ]" 1
814 1 78 ARG HE 1 90 VAL H . . 5.000 4.764 4.764 4.764 . 0 0 "[ ]" 1
815 1 78 ARG HA 1 79 LYS H . . 5.000 3.620 3.620 3.620 . 0 0 "[ ]" 1
816 1 78 ARG HB2 1 79 LYS H . . 3.000 2.680 2.680 2.680 . 0 0 "[ ]" 1
817 1 78 ARG HB3 1 79 LYS H . . 5.000 3.475 3.475 3.475 . 0 0 "[ ]" 1
818 1 76 ARG HA 1 79 LYS H . . 4.000 3.565 3.565 3.565 . 0 0 "[ ]" 1
819 1 77 LEU QD 1 80 ALA H . . 8.900 4.238 4.238 4.238 . 0 0 "[ ]" 1
820 1 77 LEU HA 1 80 ALA H . . 5.000 3.442 3.442 3.442 . 0 0 "[ ]" 1
821 1 76 ARG HA 1 80 ALA H . . 5.000 4.107 4.107 4.107 . 0 0 "[ ]" 1
822 1 79 LYS HA 1 80 ALA H . . 5.000 3.581 3.581 3.581 . 0 0 "[ ]" 1
823 1 79 LYS QG 1 80 ALA H . . 6.000 3.856 3.856 3.856 . 0 0 "[ ]" 1
824 1 79 LYS QB 1 80 ALA H . . 6.000 2.745 2.745 2.745 . 0 0 "[ ]" 1
825 1 80 ALA H 1 81 LEU QD . . 8.900 4.579 4.579 4.579 . 0 0 "[ ]" 1
826 1 78 ARG HA 1 80 ALA H . . 5.000 4.298 4.298 4.298 . 0 0 "[ ]" 1
827 1 77 LEU QD 1 81 LEU H . . 8.900 4.162 4.162 4.162 . 0 0 "[ ]" 1
828 1 81 LEU H 1 87 ASP HA . . 5.000 4.551 4.551 4.551 . 0 0 "[ ]" 1
829 1 80 ALA HA 1 81 LEU H . . 4.000 3.523 3.523 3.523 . 0 0 "[ ]" 1
830 1 80 ALA MB 1 81 LEU H . . 4.500 2.898 2.898 2.898 . 0 0 "[ ]" 1
831 1 79 LYS HA 1 81 LEU H . . 5.000 3.899 3.899 3.899 . 0 0 "[ ]" 1
832 1 78 ARG HA 1 81 LEU H . . 5.000 3.295 3.295 3.295 . 0 0 "[ ]" 1
833 1 81 LEU QD 1 82 GLU H . . 8.900 4.422 4.422 4.422 . 0 0 "[ ]" 1
834 1 81 LEU HG 1 82 GLU H . . 5.000 4.585 4.585 4.585 . 0 0 "[ ]" 1
835 1 81 LEU HB3 1 82 GLU H . . 5.000 4.301 4.301 4.301 . 0 0 "[ ]" 1
836 1 81 LEU HB2 1 82 GLU H . . 5.000 3.526 3.526 3.526 . 0 0 "[ ]" 1
837 1 82 GLU H 1 87 ASP HB2 . . 5.000 4.830 4.830 4.830 . 0 0 "[ ]" 1
838 1 79 LYS HA 1 82 GLU H . . 5.000 3.126 3.126 3.126 . 0 0 "[ ]" 1
839 1 82 GLU H 1 83 PRO QD . . 5.000 2.296 2.296 2.296 . 0 0 "[ ]" 1
840 1 83 PRO HB3 1 84 GLY H . . 5.000 4.016 4.016 4.016 . 0 0 "[ ]" 1
841 1 83 PRO HB2 1 84 GLY H . . 5.000 2.668 2.668 2.668 . 0 0 "[ ]" 1
842 1 83 PRO QG 1 84 GLY H . . 6.000 3.260 3.260 3.260 . 0 0 "[ ]" 1
843 1 83 PRO QD 1 84 GLY H . . 6.000 2.654 2.654 2.654 . 0 0 "[ ]" 1
844 1 83 PRO HA 1 84 GLY H . . 5.000 3.612 3.612 3.612 . 0 0 "[ ]" 1
845 1 84 GLY H 1 85 GLY QA . . 6.000 4.429 4.429 4.429 . 0 0 "[ ]" 1
846 1 23 ALA MB 1 84 GLY H . . 6.500 4.279 4.279 4.279 . 0 0 "[ ]" 1
847 1 28 LEU MD2 1 84 GLY H . . 6.500 3.630 3.630 3.630 . 0 0 "[ ]" 1
848 1 84 GLY QA 1 85 GLY H . . 6.000 2.960 2.960 2.960 . 0 0 "[ ]" 1
849 1 85 GLY QA 1 86 HIS H . . 5.000 2.913 2.913 2.913 . 0 0 "[ ]" 1
850 1 82 GLU HA 1 86 HIS H . . 5.000 4.293 4.293 4.293 . 0 0 "[ ]" 1
851 1 81 LEU QD 1 86 HIS H . . 8.900 3.890 3.890 3.890 . 0 0 "[ ]" 1
852 1 81 LEU HB3 1 86 HIS H . . 5.000 3.036 3.036 3.036 . 0 0 "[ ]" 1
853 1 81 LEU HB2 1 86 HIS H . . 5.000 4.368 4.368 4.368 . 0 0 "[ ]" 1
854 1 81 LEU QD 1 87 ASP H . . 8.900 3.837 3.837 3.837 . 0 0 "[ ]" 1
855 1 81 LEU HB3 1 87 ASP H . . 5.000 2.730 2.730 2.730 . 0 0 "[ ]" 1
856 1 81 LEU HB2 1 87 ASP H . . 5.000 3.156 3.156 3.156 . 0 0 "[ ]" 1
857 1 87 ASP H 1 88 ARG QG . . 6.000 4.467 4.467 4.467 . 0 0 "[ ]" 1
858 1 82 GLU HA 1 87 ASP H . . 5.000 3.468 3.468 3.468 . 0 0 "[ ]" 1
859 1 86 HIS HA 1 87 ASP H . . 5.000 3.405 3.405 3.405 . 0 0 "[ ]" 1
860 1 78 ARG HA 1 87 ASP H . . 5.000 4.923 4.923 4.923 . 0 0 "[ ]" 1
861 1 88 ARG H 1 89 MET QB . . 6.000 4.741 4.741 4.741 . 0 0 "[ ]" 1
862 1 88 ARG H 1 89 MET QG . . 6.000 4.372 4.372 4.372 . 0 0 "[ ]" 1
863 1 86 HIS HA 1 88 ARG H . . 5.000 3.576 3.576 3.576 . 0 0 "[ ]" 1
864 1 87 ASP HA 1 88 ARG H . . 5.000 3.548 3.548 3.548 . 0 0 "[ ]" 1
865 1 81 LEU QD 1 88 ARG H . . 8.900 5.013 5.013 5.013 . 0 0 "[ ]" 1
866 1 81 LEU QD 1 89 MET H . . 8.900 4.511 4.511 4.511 . 0 0 "[ ]" 1
867 1 88 ARG QB 1 89 MET H . . 6.000 2.837 2.837 2.837 . 0 0 "[ ]" 1
868 1 88 ARG QD 1 89 MET H . . 6.000 4.740 4.740 4.740 . 0 0 "[ ]" 1
869 1 88 ARG HA 1 89 MET H . . 5.000 3.566 3.566 3.566 . 0 0 "[ ]" 1
870 1 89 MET H 1 90 VAL MG2 . . 6.500 4.245 4.245 4.245 . 0 0 "[ ]" 1
871 1 89 MET HB2 1 90 VAL H . . 4.000 2.618 2.618 2.618 . 0 0 "[ ]" 1
872 1 89 MET HB3 1 90 VAL H . . 5.000 3.611 3.611 3.611 . 0 0 "[ ]" 1
873 1 89 MET QG 1 90 VAL H . . 6.000 4.182 4.182 4.182 . 0 0 "[ ]" 1
874 1 89 MET ME 1 90 VAL H . . 6.500 4.626 4.626 4.626 . 0 0 "[ ]" 1
875 1 89 MET HA 1 90 VAL H . . 5.000 3.597 3.597 3.597 . 0 0 "[ ]" 1
876 1 90 VAL H 1 100 PHE HA . . 5.000 4.700 4.700 4.700 . 0 0 "[ ]" 1
877 1 90 VAL H 1 100 PHE QD . . 7.000 4.150 4.150 4.150 . 0 0 "[ ]" 1
878 1 90 VAL MG2 1 91 GLN H . . 6.500 4.303 4.303 4.303 . 0 0 "[ ]" 1
879 1 90 VAL MG1 1 91 GLN H . . 5.500 3.547 3.547 3.547 . 0 0 "[ ]" 1
880 1 90 VAL HB 1 91 GLN H . . 5.000 4.530 4.530 4.530 . 0 0 "[ ]" 1
881 1 90 VAL HA 1 91 GLN H . . 3.000 2.279 2.279 2.279 . 0 0 "[ ]" 1
882 1 91 GLN H 1 98 TYR HA . . 5.000 5.045 5.045 5.045 0.045 1 0 "[ ]" 1
883 1 91 GLN H 1 99 ARG QB . . 6.000 3.716 3.716 3.716 . 0 0 "[ ]" 1
884 1 91 GLN H 1 99 ARG QG . . 6.000 4.331 4.331 4.331 . 0 0 "[ ]" 1
885 1 91 GLN H 1 100 PHE HA . . 4.000 3.502 3.502 3.502 . 0 0 "[ ]" 1
886 1 91 GLN H 1 100 PHE QD . . 7.000 4.707 4.707 4.707 . 0 0 "[ ]" 1
887 1 91 GLN QE 1 99 ARG QD . . 7.000 5.367 5.367 5.367 . 0 0 "[ ]" 1
888 1 91 GLN QE 1 99 ARG QB . . 7.000 5.084 5.084 5.084 . 0 0 "[ ]" 1
889 1 91 GLN QE 1 101 SER QB . . 7.000 2.360 2.360 2.360 . 0 0 "[ ]" 1
890 1 91 GLN QE 1 101 SER H . . 6.000 4.345 4.345 4.345 . 0 0 "[ ]" 1
891 1 89 MET HA 1 91 GLN QE . . 6.000 4.221 4.221 4.221 . 0 0 "[ ]" 1
892 1 91 GLN QB 1 92 THR H . . 5.000 3.186 3.186 3.186 . 0 0 "[ ]" 1
893 1 91 GLN QG 1 92 THR H . . 5.000 4.016 4.016 4.016 . 0 0 "[ ]" 1
894 1 91 GLN HA 1 92 THR H . . 3.000 2.165 2.165 2.165 . 0 0 "[ ]" 1
895 1 92 THR H 1 93 VAL MG2 . . 6.500 4.515 4.515 4.515 . 0 0 "[ ]" 1
896 1 92 THR MG 1 93 VAL H . . 5.500 3.407 3.407 3.407 . 0 0 "[ ]" 1
897 1 92 THR HA 1 93 VAL H . . 3.000 2.242 2.242 2.242 . 0 0 "[ ]" 1
898 1 93 VAL H 1 98 TYR HA . . 4.000 2.239 2.239 2.239 . 0 0 "[ ]" 1
899 1 93 VAL H 1 98 TYR QD . . 6.000 3.686 3.686 3.686 . 0 0 "[ ]" 1
900 1 93 VAL HA 1 94 ARG H . . 5.000 2.399 2.399 2.399 . 0 0 "[ ]" 1
901 1 93 VAL MG1 1 96 THR H . . 6.500 3.794 3.794 3.794 . 0 0 "[ ]" 1
902 1 93 VAL MG2 1 96 THR H . . 6.500 5.415 5.415 5.415 . 0 0 "[ ]" 1
903 1 93 VAL HB 1 96 THR H . . 5.000 4.070 4.070 4.070 . 0 0 "[ ]" 1
904 1 95 GLY QA 1 96 THR H . . 6.000 2.903 2.903 2.903 . 0 0 "[ ]" 1
905 1 96 THR MG 1 97 GLY H . . 6.500 3.359 3.359 3.359 . 0 0 "[ ]" 1
906 1 96 THR HB 1 97 GLY H . . 5.000 2.364 2.364 2.364 . 0 0 "[ ]" 1
907 1 96 THR HA 1 97 GLY H . . 5.000 3.626 3.626 3.626 . 0 0 "[ ]" 1
908 1 93 VAL MG1 1 97 GLY H . . 6.500 3.363 3.363 3.363 . 0 0 "[ ]" 1
909 1 93 VAL MG2 1 97 GLY H . . 5.500 4.024 4.024 4.024 . 0 0 "[ ]" 1
910 1 93 VAL HB 1 97 GLY H . . 4.000 2.383 2.383 2.383 . 0 0 "[ ]" 1
911 1 48 VAL MG1 1 98 TYR H . . 5.500 3.380 3.380 3.380 . 0 0 "[ ]" 1
912 1 48 VAL MG2 1 98 TYR H . . 6.500 5.294 5.294 5.294 . 0 0 "[ ]" 1
913 1 96 THR MG 1 98 TYR H . . 6.500 5.418 5.418 5.418 . 0 0 "[ ]" 1
914 1 97 GLY QA 1 98 TYR H . . 4.000 2.216 2.216 2.216 . 0 0 "[ ]" 1
915 1 50 SER HA 1 98 TYR H . . 5.000 3.657 3.657 3.657 . 0 0 "[ ]" 1
916 1 54 LEU MD1 1 98 TYR H . . 6.500 4.072 4.072 4.072 . 0 0 "[ ]" 1
917 1 54 LEU MD1 1 99 ARG H . . 6.500 5.448 5.448 5.448 . 0 0 "[ ]" 1
918 1 93 VAL MG2 1 99 ARG H . . 6.500 3.663 3.663 3.663 . 0 0 "[ ]" 1
919 1 98 TYR HB3 1 99 ARG H . . 5.000 2.348 2.348 2.348 . 0 0 "[ ]" 1
920 1 98 TYR HB2 1 99 ARG H . . 4.000 3.066 3.066 3.066 . 0 0 "[ ]" 1
921 1 91 GLN QB 1 99 ARG H . . 6.000 3.298 3.298 3.298 . 0 0 "[ ]" 1
922 1 91 GLN QG 1 99 ARG H . . 6.000 4.852 4.852 4.852 . 0 0 "[ ]" 1
923 1 90 VAL HA 1 99 ARG H . . 5.000 3.884 3.884 3.884 . 0 0 "[ ]" 1
924 1 92 THR HA 1 99 ARG H . . 5.000 4.429 4.429 4.429 . 0 0 "[ ]" 1
925 1 98 TYR HA 1 99 ARG H . . 3.000 2.606 2.606 2.606 . 0 0 "[ ]" 1
926 1 98 TYR QD 1 99 ARG H . . 6.000 4.220 4.220 4.220 . 0 0 "[ ]" 1
927 1 48 VAL MG2 1 99 ARG HE . . 6.500 4.038 4.038 4.038 . 0 0 "[ ]" 1
928 1 48 VAL MG1 1 99 ARG HE . . 6.500 5.419 5.419 5.419 . 0 0 "[ ]" 1
929 1 91 GLN QG 1 99 ARG HE . . 6.000 4.150 4.150 4.150 . 0 0 "[ ]" 1
930 1 91 GLN QB 1 99 ARG HE . . 6.000 3.025 3.025 3.025 . 0 0 "[ ]" 1
931 1 99 ARG HE 1 101 SER QB . . 6.000 3.171 3.171 3.171 . 0 0 "[ ]" 1
932 1 99 ARG QB 1 100 PHE H . . 6.000 3.585 3.585 3.585 . 0 0 "[ ]" 1
933 1 99 ARG QG 1 100 PHE H . . 6.000 2.247 2.247 2.247 . 0 0 "[ ]" 1
934 1 90 VAL HA 1 100 PHE H . . 5.000 5.027 5.027 5.027 0.027 1 0 "[ ]" 1
935 1 100 PHE H 1 101 SER HA . . 5.000 4.854 4.854 4.854 . 0 0 "[ ]" 1
936 1 99 ARG HA 1 100 PHE H . . 3.000 2.261 2.261 2.261 . 0 0 "[ ]" 1
937 1 41 PHE QD 1 100 PHE H . . 7.000 3.495 3.495 3.495 . 0 0 "[ ]" 1
938 1 100 PHE HB3 1 101 SER H . . 5.000 4.426 4.426 4.426 . 0 0 "[ ]" 1
939 1 100 PHE HB2 1 101 SER H . . 5.000 4.652 4.652 4.652 . 0 0 "[ ]" 1
940 1 89 MET HA 1 101 SER H . . 5.000 3.303 3.303 3.303 . 0 0 "[ ]" 1
941 1 89 MET HB2 1 101 SER H . . 5.000 5.014 5.014 5.014 0.014 1 0 "[ ]" 1
942 1 89 MET HB3 1 101 SER H . . 5.000 3.724 3.724 3.724 . 0 0 "[ ]" 1
943 1 90 VAL MG2 1 101 SER H . . 6.500 4.993 4.993 4.993 . 0 0 "[ ]" 1
944 1 90 VAL HA 1 101 SER H . . 5.000 3.860 3.860 3.860 . 0 0 "[ ]" 1
945 1 91 GLN QG 1 101 SER H . . 6.000 3.117 3.117 3.117 . 0 0 "[ ]" 1
946 1 91 GLN QB 1 101 SER H . . 6.000 4.162 4.162 4.162 . 0 0 "[ ]" 1
947 1 100 PHE HA 1 101 SER H . . 3.000 2.273 2.273 2.273 . 0 0 "[ ]" 1
948 1 100 PHE QD 1 101 SER H . . 7.000 4.113 4.113 4.113 . 0 0 "[ ]" 1
949 1 100 PHE QE 1 101 SER H . . 7.000 5.590 5.590 5.590 . 0 0 "[ ]" 1
950 1 101 SER QB 1 102 THR H . . 6.000 4.045 4.045 4.045 . 0 0 "[ ]" 1
951 1 101 SER HA 1 102 THR H . . 3.000 2.256 2.256 2.256 . 0 0 "[ ]" 1
952 1 89 MET QG 1 102 THR H . . 6.000 4.681 4.681 4.681 . 0 0 "[ ]" 1
953 1 89 MET ME 1 102 THR H . . 6.500 4.914 4.914 4.914 . 0 0 "[ ]" 1
954 1 102 THR MG 1 103 ARG H . . 6.500 3.761 3.761 3.761 . 0 0 "[ ]" 1
955 1 101 SER QB 1 103 ARG H . . 6.000 5.363 5.363 5.363 . 0 0 "[ ]" 1
956 1 101 SER HA 1 103 ARG H . . 5.000 4.151 4.151 4.151 . 0 0 "[ ]" 1
957 1 103 ARG QB 1 104 PHE H . . 5.000 2.353 2.353 2.353 . 0 0 "[ ]" 1
958 1 103 ARG QG 1 104 PHE H . . 6.000 3.158 3.158 3.158 . 0 0 "[ ]" 1
959 1 6 VAL HA 1 15 ASP HA . . 4.000 2.864 2.864 2.864 . 0 0 "[ ]" 1
960 1 6 VAL HA 1 15 ASP HB2 . . 5.000 4.237 4.237 4.237 . 0 0 "[ ]" 1
961 1 6 VAL HA 1 16 PRO QD . . 5.000 2.904 2.904 2.904 . 0 0 "[ ]" 1
962 1 6 VAL HA 1 16 PRO QG . . 6.000 4.345 4.345 4.345 . 0 0 "[ ]" 1
963 1 8 GLU HA 1 13 SER HA . . 4.000 2.134 2.134 2.134 . 0 0 "[ ]" 1
964 1 8 GLU HA 1 13 SER QB . . 5.000 3.845 3.845 3.845 . 0 0 "[ ]" 1
965 1 8 GLU HA 1 42 MET ME . . 5.500 4.594 4.594 4.594 . 0 0 "[ ]" 1
966 1 6 VAL QG 1 8 GLU HA . . 8.900 3.948 3.948 3.948 . 0 0 "[ ]" 1
967 1 12 LEU HA 1 23 ALA HA . . 5.000 2.374 2.374 2.374 . 0 0 "[ ]" 1
968 1 12 LEU HA 1 23 ALA MB . . 6.500 3.847 3.847 3.847 . 0 0 "[ ]" 1
969 1 13 SER HA 1 42 MET ME . . 5.500 4.407 4.407 4.407 . 0 0 "[ ]" 1
970 1 8 GLU QB 1 13 SER HA . . 6.000 3.832 3.832 3.832 . 0 0 "[ ]" 1
971 1 8 GLU QG 1 13 SER HA . . 6.000 2.521 2.521 2.521 . 0 0 "[ ]" 1
972 1 6 VAL QG 1 13 SER HA . . 8.900 3.333 3.333 3.333 . 0 0 "[ ]" 1
973 1 14 LEU HA 1 21 VAL MG2 . . 6.500 2.641 2.641 2.641 . 0 0 "[ ]" 1
974 1 14 LEU HA 1 21 VAL MG1 . . 6.500 3.137 3.137 3.137 . 0 0 "[ ]" 1
975 1 14 LEU HA 1 21 VAL HA . . 4.000 2.461 2.461 2.461 . 0 0 "[ ]" 1
976 1 14 LEU HA 1 35 PHE QE . . 7.000 3.713 3.713 3.713 . 0 0 "[ ]" 1
977 1 15 ASP HA 1 16 PRO QD . . 4.000 1.967 1.967 1.967 . 0 0 "[ ]" 1
978 1 15 ASP HA 1 16 PRO QG . . 5.000 3.893 3.893 3.893 . 0 0 "[ ]" 1
979 1 6 VAL QG 1 15 ASP HA . . 8.900 2.948 2.948 2.948 . 0 0 "[ ]" 1
980 1 14 LEU MD2 1 15 ASP HA . . 5.500 3.425 3.425 3.425 . 0 0 "[ ]" 1
981 1 14 LEU MD2 1 16 PRO HA . . 6.500 3.015 3.015 3.015 . 0 0 "[ ]" 1
982 1 16 PRO HA 1 19 HIS HA . . 5.000 3.398 3.398 3.398 . 0 0 "[ ]" 1
983 1 16 PRO HA 1 19 HIS HD2 . . 5.000 4.231 4.231 4.231 . 0 0 "[ ]" 1
984 1 16 PRO HA 1 35 PHE HZ . . 3.000 2.221 2.221 2.221 . 0 0 "[ ]" 1
985 1 16 PRO HA 1 35 PHE QE . . 5.000 2.500 2.500 2.500 . 0 0 "[ ]" 1
986 1 16 PRO HA 1 35 PHE QD . . 7.000 4.736 4.736 4.736 . 0 0 "[ ]" 1
987 1 17 THR MG 1 18 SER HA . . 6.500 4.146 4.146 4.146 . 0 0 "[ ]" 1
988 1 19 HIS HA 1 35 PHE QD . . 7.000 3.719 3.719 3.719 . 0 0 "[ ]" 1
989 1 19 HIS HA 1 35 PHE QE . . 5.000 2.923 2.923 2.923 . 0 0 "[ ]" 1
990 1 19 HIS HA 1 35 PHE HZ . . 3.000 2.761 2.761 2.761 . 0 0 "[ ]" 1
991 1 20 ARG HA 1 21 VAL MG2 . . 6.500 3.413 3.413 3.413 . 0 0 "[ ]" 1
992 1 14 LEU HB2 1 21 VAL HA . . 5.000 4.336 4.336 4.336 . 0 0 "[ ]" 1
993 1 14 LEU HG 1 21 VAL HA . . 5.000 4.075 4.075 4.075 . 0 0 "[ ]" 1
994 1 14 LEU MD1 1 21 VAL HA . . 6.500 4.322 4.322 4.322 . 0 0 "[ ]" 1
995 1 21 VAL HA 1 35 PHE QE . . 7.000 3.979 3.979 3.979 . 0 0 "[ ]" 1
996 1 22 MET HA 1 28 LEU HG . . 5.000 3.549 3.549 3.549 . 0 0 "[ ]" 1
997 1 22 MET HA 1 28 LEU MD1 . . 6.500 3.943 3.943 3.943 . 0 0 "[ ]" 1
998 1 12 LEU MD1 1 23 ALA HA . . 5.500 2.206 2.206 2.206 . 0 0 "[ ]" 1
999 1 22 MET ME 1 25 GLU HA . . 6.500 2.349 2.349 2.349 . 0 0 "[ ]" 1
1000 1 22 MET ME 1 26 GLU HA . . 6.500 4.810 4.810 4.810 . 0 0 "[ ]" 1
1001 1 26 GLU HA 1 27 PRO QD . . 5.000 1.954 1.954 1.954 . 0 0 "[ ]" 1
1002 1 26 GLU HA 1 27 PRO QG . . 6.000 3.887 3.887 3.887 . 0 0 "[ ]" 1
1003 1 22 MET QB 1 27 PRO HA . . 6.000 3.823 3.823 3.823 . 0 0 "[ ]" 1
1004 1 22 MET QG 1 27 PRO HA . . 6.000 2.312 2.312 2.312 . 0 0 "[ ]" 1
1005 1 22 MET ME 1 27 PRO HA . . 6.500 4.054 4.054 4.054 . 0 0 "[ ]" 1
1006 1 30 MET HA 1 80 ALA MB . . 6.500 4.113 4.113 4.113 . 0 0 "[ ]" 1
1007 1 31 GLY QA 1 32 PRO QD . . 6.000 1.974 1.974 1.974 . 0 0 "[ ]" 1
1008 1 31 GLY QA 1 32 PRO QG . . 7.000 3.732 3.732 3.732 . 0 0 "[ ]" 1
1009 1 32 PRO HA 1 35 PHE HB2 . . 4.000 3.292 3.292 3.292 . 0 0 "[ ]" 1
1010 1 32 PRO HA 1 35 PHE HB3 . . 4.000 2.668 2.668 2.668 . 0 0 "[ ]" 1
1011 1 32 PRO HA 1 35 PHE QD . . 7.000 4.391 4.391 4.391 . 0 0 "[ ]" 1
1012 1 33 THR HA 1 36 LYS HB2 . . 3.000 2.503 2.503 2.503 . 0 0 "[ ]" 1
1013 1 33 THR HA 1 36 LYS HB3 . . 5.000 4.120 4.120 4.120 . 0 0 "[ ]" 1
1014 1 33 THR HA 1 36 LYS QD . . 6.000 2.806 2.806 2.806 . 0 0 "[ ]" 1
1015 1 34 GLU HA 1 37 LEU MD1 . . 6.500 2.135 2.135 2.135 . 0 0 "[ ]" 1
1016 1 34 GLU HA 1 37 LEU MD2 . . 6.500 4.725 4.725 4.725 . 0 0 "[ ]" 1
1017 1 34 GLU HA 1 37 LEU QB . . 5.000 2.753 2.753 2.753 . 0 0 "[ ]" 1
1018 1 34 GLU HA 1 37 LEU HG . . 5.000 3.636 3.636 3.636 . 0 0 "[ ]" 1
1019 1 33 THR MG 1 34 GLU HA . . 6.500 3.803 3.803 3.803 . 0 0 "[ ]" 1
1020 1 34 GLU HA 1 77 LEU MD1 . . 6.500 3.664 3.664 3.664 . 0 0 "[ ]" 1
1021 1 35 PHE HA 1 38 LEU QB . . 6.000 2.791 2.791 2.791 . 0 0 "[ ]" 1
1022 1 35 PHE HA 1 38 LEU QD . . 8.900 3.590 3.590 3.590 . 0 0 "[ ]" 1
1023 1 36 LYS HA 1 39 HIS HB3 . . 4.000 2.622 2.622 2.622 . 0 0 "[ ]" 1
1024 1 36 LYS HA 1 39 HIS HB2 . . 4.000 3.401 3.401 3.401 . 0 0 "[ ]" 1
1025 1 35 PHE QD 1 36 LYS HA . . 7.000 3.175 3.175 3.175 . 0 0 "[ ]" 1
1026 1 35 PHE QE 1 36 LYS HA . . 7.000 4.615 4.615 4.615 . 0 0 "[ ]" 1
1027 1 37 LEU HA 1 40 PHE HB2 . . 5.000 3.958 3.958 3.958 . 0 0 "[ ]" 1
1028 1 37 LEU HA 1 40 PHE HB3 . . 5.000 2.902 2.902 2.902 . 0 0 "[ ]" 1
1029 1 37 LEU HA 1 58 VAL MG2 . . 6.500 2.099 2.099 2.099 . 0 0 "[ ]" 1
1030 1 37 LEU HA 1 58 VAL MG1 . . 6.500 3.464 3.464 3.464 . 0 0 "[ ]" 1
1031 1 38 LEU HA 1 41 PHE QB . . 6.000 2.343 2.343 2.343 . 0 0 "[ ]" 1
1032 1 38 LEU HA 1 41 PHE QD . . 5.000 2.310 2.310 2.310 . 0 0 "[ ]" 1
1033 1 38 LEU HA 1 41 PHE QE . . 7.000 4.526 4.526 4.526 . 0 0 "[ ]" 1
1034 1 38 LEU HA 1 77 LEU MD2 . . 6.500 2.871 2.871 2.871 . 0 0 "[ ]" 1
1035 1 14 LEU MD1 1 39 HIS HA . . 6.500 2.408 2.408 2.408 . 0 0 "[ ]" 1
1036 1 14 LEU MD2 1 39 HIS HA . . 6.500 2.884 2.884 2.884 . 0 0 "[ ]" 1
1037 1 38 LEU QD 1 39 HIS HA . . 8.900 4.290 4.290 4.290 . 0 0 "[ ]" 1
1038 1 40 PHE HA 1 58 VAL MG2 . . 6.500 4.751 4.751 4.751 . 0 0 "[ ]" 1
1039 1 40 PHE HA 1 44 HIS HE1 . . 5.000 3.719 3.719 3.719 . 0 0 "[ ]" 1
1040 1 40 PHE QD 1 41 PHE HA . . 6.000 3.977 3.977 3.977 . 0 0 "[ ]" 1
1041 1 40 PHE QE 1 41 PHE HA . . 7.000 5.108 5.108 5.108 . 0 0 "[ ]" 1
1042 1 7 ILE MG 1 42 MET HA . . 6.500 4.202 4.202 4.202 . 0 0 "[ ]" 1
1043 1 9 MET ME 1 42 MET HA . . 6.500 2.418 2.418 2.418 . 0 0 "[ ]" 1
1044 1 42 MET HA 1 100 PHE QE . . 7.000 3.022 3.022 3.022 . 0 0 "[ ]" 1
1045 1 42 MET HA 1 100 PHE QD . . 7.000 3.037 3.037 3.037 . 0 0 "[ ]" 1
1046 1 7 ILE MD 1 43 THR HA . . 6.500 4.638 4.638 4.638 . 0 0 "[ ]" 1
1047 1 43 THR HA 1 45 PRO QD . . 6.000 3.457 3.457 3.457 . 0 0 "[ ]" 1
1048 1 44 HIS HA 1 45 PRO QD . . 5.000 2.205 2.205 2.205 . 0 0 "[ ]" 1
1049 1 9 MET ME 1 45 PRO HA . . 6.500 3.941 3.941 3.941 . 0 0 "[ ]" 1
1050 1 45 PRO HA 1 100 PHE HB2 . . 5.000 3.915 3.915 3.915 . 0 0 "[ ]" 1
1051 1 46 GLU HA 1 99 ARG QD . . 6.000 2.500 2.500 2.500 . 0 0 "[ ]" 1
1052 1 46 GLU HA 1 101 SER HA . . 5.000 3.566 3.566 3.566 . 0 0 "[ ]" 1
1053 1 46 GLU HA 1 101 SER QB . . 5.000 4.425 4.425 4.425 . 0 0 "[ ]" 1
1054 1 47 ARG HA 1 48 VAL MG2 . . 6.500 3.527 3.527 3.527 . 0 0 "[ ]" 1
1055 1 48 VAL HA 1 99 ARG HA . . 5.000 3.371 3.371 3.371 . 0 0 "[ ]" 1
1056 1 48 VAL HA 1 99 ARG QB . . 6.000 2.440 2.440 2.440 . 0 0 "[ ]" 1
1057 1 48 VAL HA 1 99 ARG QG . . 6.000 3.615 3.615 3.615 . 0 0 "[ ]" 1
1058 1 48 VAL HA 1 49 TYR QD . . 7.000 4.490 4.490 4.490 . 0 0 "[ ]" 1
1059 1 48 VAL MG1 1 49 TYR HA . . 6.500 3.782 3.782 3.782 . 0 0 "[ ]" 1
1060 1 50 SER HA 1 97 GLY QA . . 5.000 2.141 2.141 2.141 . 0 0 "[ ]" 1
1061 1 50 SER HA 1 96 THR MG . . 6.500 4.303 4.303 4.303 . 0 0 "[ ]" 1
1062 1 51 ARG HA 1 54 LEU MD2 . . 6.500 5.078 5.078 5.078 . 0 0 "[ ]" 1
1063 1 51 ARG HA 1 54 LEU HB2 . . 5.000 2.846 2.846 2.846 . 0 0 "[ ]" 1
1064 1 51 ARG HA 1 54 LEU HB3 . . 5.000 4.505 4.505 4.505 . 0 0 "[ ]" 1
1065 1 51 ARG HA 1 70 VAL MG2 . . 6.500 2.821 2.821 2.821 . 0 0 "[ ]" 1
1066 1 51 ARG HA 1 70 VAL MG1 . . 6.500 2.229 2.229 2.229 . 0 0 "[ ]" 1
1067 1 51 ARG HA 1 98 TYR QD . . 7.000 4.036 4.036 4.036 . 0 0 "[ ]" 1
1068 1 51 ARG HA 1 98 TYR QE . . 7.000 2.545 2.545 2.545 . 0 0 "[ ]" 1
1069 1 52 GLU HA 1 55 LEU HB3 . . 5.000 4.122 4.122 4.122 . 0 0 "[ ]" 1
1070 1 52 GLU HA 1 55 LEU HB2 . . 4.000 2.571 2.571 2.571 . 0 0 "[ ]" 1
1071 1 52 GLU HA 1 55 LEU HG . . 5.000 3.911 3.911 3.911 . 0 0 "[ ]" 1
1072 1 52 GLU HA 1 55 LEU MD2 . . 6.500 4.861 4.861 4.861 . 0 0 "[ ]" 1
1073 1 52 GLU HA 1 55 LEU MD1 . . 6.500 2.420 2.420 2.420 . 0 0 "[ ]" 1
1074 1 53 GLN HA 1 56 ASN HB2 . . 4.000 2.569 2.569 2.569 . 0 0 "[ ]" 1
1075 1 53 GLN HA 1 56 ASN HB3 . . 5.000 4.003 4.003 4.003 . 0 0 "[ ]" 1
1076 1 53 GLN HA 1 57 HIS HD2 . . 5.000 3.508 3.508 3.508 . 0 0 "[ ]" 1
1077 1 49 TYR QD 1 53 GLN HA . . 7.000 4.721 4.721 4.721 . 0 0 "[ ]" 1
1078 1 54 LEU HA 1 57 HIS HD2 . . 5.000 3.561 3.561 3.561 . 0 0 "[ ]" 1
1079 1 54 LEU HA 1 57 HIS HB3 . . 5.000 4.163 4.163 4.163 . 0 0 "[ ]" 1
1080 1 55 LEU HA 1 58 VAL HB . . 5.000 4.208 4.208 4.208 . 0 0 "[ ]" 1
1081 1 55 LEU HA 1 59 TRP HB2 . . 5.000 2.092 2.092 2.092 . 0 0 "[ ]" 1
1082 1 55 LEU HA 1 59 TRP HB3 . . 5.000 3.749 3.749 3.749 . 0 0 "[ ]" 1
1083 1 55 LEU HA 1 59 TRP HE3 . . 3.000 2.304 2.304 2.304 . 0 0 "[ ]" 1
1084 1 55 LEU HA 1 59 TRP HZ3 . . 6.000 4.193 4.193 4.193 . 0 0 "[ ]" 1
1085 1 55 LEU HA 1 59 TRP HD1 . . 5.000 5.110 5.110 5.110 0.110 1 0 "[ ]" 1
1086 1 55 LEU HA 1 70 VAL MG2 . . 6.500 3.868 3.868 3.868 . 0 0 "[ ]" 1
1087 1 55 LEU HA 1 58 VAL MG2 . . 6.500 5.417 5.417 5.417 . 0 0 "[ ]" 1
1088 1 57 HIS HA 1 58 VAL MG2 . . 6.500 4.847 4.847 4.847 . 0 0 "[ ]" 1
1089 1 36 LYS QD 1 58 VAL HA . . 6.000 2.627 2.627 2.627 . 0 0 "[ ]" 1
1090 1 36 LYS QE 1 58 VAL HA . . 6.000 4.617 4.617 4.617 . 0 0 "[ ]" 1
1091 1 58 VAL MG1 1 59 TRP HA . . 6.500 3.427 3.427 3.427 . 0 0 "[ ]" 1
1092 1 60 GLY QA 1 61 THR MG . . 7.500 3.918 3.918 3.918 . 0 0 "[ ]" 1
1093 1 61 THR HA 1 63 VAL QG . . 8.900 4.575 4.575 4.575 . 0 0 "[ ]" 1
1094 1 61 THR HA 1 65 VAL QG . . 8.900 4.348 4.348 4.348 . 0 0 "[ ]" 1
1095 1 63 VAL QG 1 64 TYR HA . . 8.900 4.482 4.482 4.482 . 0 0 "[ ]" 1
1096 1 64 TYR HA 1 65 VAL QG . . 8.900 3.578 3.578 3.578 . 0 0 "[ ]" 1
1097 1 55 LEU MD2 1 65 VAL HA . . 6.500 5.341 5.341 5.341 . 0 0 "[ ]" 1
1098 1 65 VAL HA 1 66 GLU QG . . 6.000 3.622 3.622 3.622 . 0 0 "[ ]" 1
1099 1 65 VAL QG 1 66 GLU HA . . 8.900 4.311 4.311 4.311 . 0 0 "[ ]" 1
1100 1 55 LEU MD2 1 67 ASP HA . . 6.500 3.910 3.910 3.910 . 0 0 "[ ]" 1
1101 1 55 LEU MD1 1 67 ASP HA . . 6.500 2.467 2.467 2.467 . 0 0 "[ ]" 1
1102 1 67 ASP HA 1 70 VAL MG2 . . 6.500 2.716 2.716 2.716 . 0 0 "[ ]" 1
1103 1 67 ASP HA 1 70 VAL HB . . 5.000 4.031 4.031 4.031 . 0 0 "[ ]" 1
1104 1 68 ARG HA 1 71 ASP HB2 . . 4.000 3.164 3.164 3.164 . 0 0 "[ ]" 1
1105 1 68 ARG HA 1 71 ASP HB3 . . 5.000 4.684 4.684 4.684 . 0 0 "[ ]" 1
1106 1 69 THR HA 1 72 VAL HB . . 4.000 2.405 2.405 2.405 . 0 0 "[ ]" 1
1107 1 69 THR HA 1 72 VAL MG2 . . 6.500 2.721 2.721 2.721 . 0 0 "[ ]" 1
1108 1 69 THR HA 1 72 VAL MG1 . . 6.500 3.752 3.752 3.752 . 0 0 "[ ]" 1
1109 1 69 THR HA 1 73 HIS HD2 . . 5.000 3.873 3.873 3.873 . 0 0 "[ ]" 1
1110 1 70 VAL HA 1 73 HIS HB2 . . 5.000 3.175 3.175 3.175 . 0 0 "[ ]" 1
1111 1 70 VAL HA 1 73 HIS HB3 . . 5.000 4.851 4.851 4.851 . 0 0 "[ ]" 1
1112 1 55 LEU MD2 1 70 VAL HA . . 6.500 4.000 4.000 4.000 . 0 0 "[ ]" 1
1113 1 59 TRP HH2 1 70 VAL HA . . 6.000 2.558 2.558 2.558 . 0 0 "[ ]" 1
1114 1 59 TRP HZ2 1 70 VAL HA . . 3.000 2.802 2.802 2.802 . 0 0 "[ ]" 1
1115 1 71 ASP HA 1 74 ILE HB . . 3.000 2.230 2.230 2.230 . 0 0 "[ ]" 1
1116 1 71 ASP HA 1 74 ILE QG . . 5.000 3.157 3.157 3.157 . 0 0 "[ ]" 1
1117 1 71 ASP HA 1 74 ILE MG . . 4.500 3.468 3.468 3.468 . 0 0 "[ ]" 1
1118 1 71 ASP HA 1 74 ILE MD . . 6.500 4.636 4.636 4.636 . 0 0 "[ ]" 1
1119 1 72 VAL HA 1 75 ARG QB . . 5.000 2.913 2.913 2.913 . 0 0 "[ ]" 1
1120 1 72 VAL HA 1 75 ARG QG . . 6.000 4.958 4.958 4.958 . 0 0 "[ ]" 1
1121 1 72 VAL HA 1 75 ARG QD . . 6.000 3.846 3.846 3.846 . 0 0 "[ ]" 1
1122 1 33 THR MG 1 73 HIS HA . . 6.500 4.688 4.688 4.688 . 0 0 "[ ]" 1
1123 1 72 VAL MG1 1 73 HIS HA . . 6.500 3.168 3.168 3.168 . 0 0 "[ ]" 1
1124 1 73 HIS HA 1 76 ARG HB2 . . 4.000 2.395 2.395 2.395 . 0 0 "[ ]" 1
1125 1 73 HIS HA 1 76 ARG HB3 . . 5.000 4.007 4.007 4.007 . 0 0 "[ ]" 1
1126 1 73 HIS HA 1 76 ARG QD . . 6.000 2.365 2.365 2.365 . 0 0 "[ ]" 1
1127 1 59 TRP HZ2 1 73 HIS HA . . 5.000 5.000 5.000 5.000 0.000 1 0 "[ ]" 1
1128 1 74 ILE HA 1 77 LEU HB2 . . 5.000 3.589 3.589 3.589 . 0 0 "[ ]" 1
1129 1 74 ILE HA 1 77 LEU HB3 . . 4.000 2.573 2.573 2.573 . 0 0 "[ ]" 1
1130 1 74 ILE HA 1 77 LEU MD2 . . 5.500 3.371 3.371 3.371 . 0 0 "[ ]" 1
1131 1 37 LEU MD1 1 74 ILE HA . . 6.500 2.527 2.527 2.527 . 0 0 "[ ]" 1
1132 1 74 ILE MG 1 75 ARG HA . . 6.500 3.236 3.236 3.236 . 0 0 "[ ]" 1
1133 1 75 ARG HA 1 78 ARG HB2 . . 5.000 2.588 2.588 2.588 . 0 0 "[ ]" 1
1134 1 76 ARG HA 1 79 LYS QG . . 6.000 4.611 4.611 4.611 . 0 0 "[ ]" 1
1135 1 76 ARG HA 1 79 LYS QB . . 6.000 2.721 2.721 2.721 . 0 0 "[ ]" 1
1136 1 77 LEU HA 1 80 ALA MB . . 5.500 2.641 2.641 2.641 . 0 0 "[ ]" 1
1137 1 78 ARG HA 1 81 LEU MD1 . . 5.500 2.579 2.579 2.579 . 0 0 "[ ]" 1
1138 1 78 ARG HA 1 87 ASP HA . . 5.000 2.816 2.816 2.816 . 0 0 "[ ]" 1
1139 1 78 ARG HA 1 87 ASP HB3 . . 5.000 3.319 3.319 3.319 . 0 0 "[ ]" 1
1140 1 78 ARG HA 1 87 ASP HB2 . . 5.000 2.810 2.810 2.810 . 0 0 "[ ]" 1
1141 1 81 LEU HA 1 83 PRO QD . . 6.000 2.968 2.968 2.968 . 0 0 "[ ]" 1
1142 1 12 LEU MD1 1 81 LEU HA . . 6.500 4.518 4.518 4.518 . 0 0 "[ ]" 1
1143 1 12 LEU MD2 1 81 LEU HA . . 6.500 4.988 4.988 4.988 . 0 0 "[ ]" 1
1144 1 28 LEU MD1 1 81 LEU HA . . 6.500 2.723 2.723 2.723 . 0 0 "[ ]" 1
1145 1 23 ALA MB 1 84 GLY QA . . 7.500 2.989 2.989 2.989 . 0 0 "[ ]" 1
1146 1 81 LEU QD 1 87 ASP HA . . 7.900 2.639 2.639 2.639 . 0 0 "[ ]" 1
1147 1 81 LEU HG 1 87 ASP HA . . 5.000 4.579 4.579 4.579 . 0 0 "[ ]" 1
1148 1 81 LEU HB3 1 87 ASP HA . . 5.000 3.042 3.042 3.042 . 0 0 "[ ]" 1
1149 1 81 LEU HB2 1 87 ASP HA . . 5.000 2.365 2.365 2.365 . 0 0 "[ ]" 1
1150 1 81 LEU QD 1 88 ARG HA . . 8.900 6.249 6.249 6.249 . 0 0 "[ ]" 1
1151 1 90 VAL HA 1 100 PHE HA . . 5.000 2.807 2.807 2.807 . 0 0 "[ ]" 1
1152 1 92 THR HA 1 98 TYR HA . . 4.000 2.953 2.953 2.953 . 0 0 "[ ]" 1
1153 1 92 THR HA 1 98 TYR HB2 . . 5.000 5.011 5.011 5.011 0.011 1 0 "[ ]" 1
1154 1 92 THR HA 1 98 TYR QD . . 6.000 2.270 2.270 2.270 . 0 0 "[ ]" 1
1155 1 92 THR HA 1 98 TYR QE . . 7.000 3.887 3.887 3.887 . 0 0 "[ ]" 1
1156 1 92 THR HA 1 93 VAL MG2 . . 6.500 3.715 3.715 3.715 . 0 0 "[ ]" 1
1157 1 93 VAL MG1 1 94 ARG HA . . 6.500 5.045 5.045 5.045 . 0 0 "[ ]" 1
1158 1 92 THR MG 1 94 ARG HA . . 5.500 3.517 3.517 3.517 . 0 0 "[ ]" 1
1159 1 95 GLY QA 1 96 THR MG . . 7.500 5.313 5.313 5.313 . 0 0 "[ ]" 1
1160 1 93 VAL MG2 1 97 GLY QA . . 7.500 4.059 4.059 4.059 . 0 0 "[ ]" 1
1161 1 92 THR MG 1 98 TYR HA . . 6.500 4.456 4.456 4.456 . 0 0 "[ ]" 1
1162 1 93 VAL MG1 1 98 TYR HA . . 6.500 4.830 4.830 4.830 . 0 0 "[ ]" 1
1163 1 93 VAL MG2 1 98 TYR HA . . 5.500 2.333 2.333 2.333 . 0 0 "[ ]" 1
1164 1 48 VAL MG2 1 99 ARG HA . . 6.500 4.624 4.624 4.624 . 0 0 "[ ]" 1
1165 1 48 VAL MG1 1 99 ARG HA . . 6.500 4.797 4.797 4.797 . 0 0 "[ ]" 1
1166 1 49 TYR QD 1 99 ARG HA . . 7.000 3.808 3.808 3.808 . 0 0 "[ ]" 1
1167 1 90 VAL MG2 1 100 PHE HA . . 6.500 3.678 3.678 3.678 . 0 0 "[ ]" 1
1168 1 90 VAL MG1 1 100 PHE HA . . 6.500 4.378 4.378 4.378 . 0 0 "[ ]" 1
1169 1 101 SER HA 1 102 THR MG . . 6.500 4.062 4.062 4.062 . 0 0 "[ ]" 1
1170 1 89 MET ME 1 102 THR HA . . 6.500 2.973 2.973 2.973 . 0 0 "[ ]" 1
1171 1 74 ILE MD 1 98 TYR HB3 . . 6.500 3.133 3.133 3.133 . 0 0 "[ ]" 1
1172 1 74 ILE MD 1 98 TYR HB2 . . 6.500 3.444 3.444 3.444 . 0 0 "[ ]" 1
1173 1 74 ILE MD 1 77 LEU MD2 . . 8.000 2.767 2.767 2.767 . 0 0 "[ ]" 1
1174 1 74 ILE MD 1 90 VAL MG2 . . 8.000 4.065 4.065 4.065 . 0 0 "[ ]" 1
1175 1 74 ILE MD 1 90 VAL MG1 . . 8.000 2.553 2.553 2.553 . 0 0 "[ ]" 1
1176 1 70 VAL MG1 1 74 ILE MD . . 8.000 3.342 3.342 3.342 . 0 0 "[ ]" 1
1177 1 74 ILE MD 1 98 TYR QD . . 8.500 2.996 2.996 2.996 . 0 0 "[ ]" 1
1178 1 74 ILE MD 1 98 TYR QE . . 8.500 3.678 3.678 3.678 . 0 0 "[ ]" 1
1179 1 41 PHE HZ 1 74 ILE MD . . 6.500 2.535 2.535 2.535 . 0 0 "[ ]" 1
1180 1 41 PHE QE 1 74 ILE MD . . 6.500 2.342 2.342 2.342 . 0 0 "[ ]" 1
1181 1 41 PHE QD 1 74 ILE MD . . 8.500 4.221 4.221 4.221 . 0 0 "[ ]" 1
1182 1 37 LEU MD1 1 74 ILE MD . . 8.000 2.253 2.253 2.253 . 0 0 "[ ]" 1
1183 1 37 LEU MD2 1 74 ILE MD . . 8.000 2.367 2.367 2.367 . 0 0 "[ ]" 1
1184 1 7 ILE MD 1 14 LEU MD1 . . 8.000 3.748 3.748 3.748 . 0 0 "[ ]" 1
1185 1 7 ILE MD 1 14 LEU MD2 . . 7.000 2.031 2.031 2.031 . 0 0 "[ ]" 1
1186 1 7 ILE MD 1 43 THR MG . . 10.400 2.920 2.920 2.920 . 0 0 "[ ]" 1
1187 1 7 ILE MD 1 42 MET QG . . 7.500 4.506 4.506 4.506 . 0 0 "[ ]" 1
1188 1 7 ILE MD 1 42 MET HB2 . . 6.500 3.399 3.399 3.399 . 0 0 "[ ]" 1
1189 1 7 ILE MD 1 42 MET HB3 . . 6.500 3.137 3.137 3.137 . 0 0 "[ ]" 1
1190 1 7 ILE MD 1 39 HIS HD2 . . 5.500 2.352 2.352 2.352 . 0 0 "[ ]" 1
1191 1 74 ILE MG 1 78 ARG QD . . 6.500 2.818 2.818 2.818 . 0 0 "[ ]" 1
1192 1 74 ILE MG 1 78 ARG QG . . 7.500 2.521 2.521 2.521 . 0 0 "[ ]" 1
1193 1 74 ILE MG 1 98 TYR QD . . 7.500 2.557 2.557 2.557 . 0 0 "[ ]" 1
1194 1 74 ILE MG 1 98 TYR QE . . 6.500 2.628 2.628 2.628 . 0 0 "[ ]" 1
1195 1 7 ILE MG 1 14 LEU MD2 . . 8.000 3.730 3.730 3.730 . 0 0 "[ ]" 1
1196 1 7 ILE MG 1 42 MET HB2 . . 6.500 3.414 3.414 3.414 . 0 0 "[ ]" 1
1197 1 7 ILE MG 1 42 MET HB3 . . 5.500 2.149 2.149 2.149 . 0 0 "[ ]" 1
1198 1 7 ILE MG 1 42 MET QG . . 6.500 3.270 3.270 3.270 . 0 0 "[ ]" 1
1199 1 7 ILE MG 1 9 MET QG . . 7.500 2.225 2.225 2.225 . 0 0 "[ ]" 1
1200 1 7 ILE MG 1 39 HIS HD2 . . 6.500 4.239 4.239 4.239 . 0 0 "[ ]" 1
1201 1 30 MET HB2 1 80 ALA MB . . 5.500 3.400 3.400 3.400 . 0 0 "[ ]" 1
1202 1 30 MET HB3 1 80 ALA MB . . 5.500 2.372 2.372 2.372 . 0 0 "[ ]" 1
1203 1 30 MET QG 1 80 ALA MB . . 7.500 3.409 3.409 3.409 . 0 0 "[ ]" 1
1204 1 30 MET ME 1 80 ALA MB . . 8.000 3.620 3.620 3.620 . 0 0 "[ ]" 1
1205 1 77 LEU MD1 1 80 ALA MB . . 6.500 2.766 2.766 2.766 . 0 0 "[ ]" 1
1206 1 12 LEU MD1 1 23 ALA MB . . 5.500 2.406 2.406 2.406 . 0 0 "[ ]" 1
1207 1 23 ALA MB 1 28 LEU MD1 . . 6.500 1.943 1.943 1.943 . 0 0 "[ ]" 1
1208 1 23 ALA MB 1 28 LEU MD2 . . 6.500 3.330 3.330 3.330 . 0 0 "[ ]" 1
1209 1 23 ALA MB 1 26 GLU QB . . 7.500 2.473 2.473 2.473 . 0 0 "[ ]" 1
1210 1 23 ALA MB 1 26 GLU QG . . 7.500 4.096 4.096 4.096 . 0 0 "[ ]" 1
1211 1 23 ALA MB 1 86 HIS HD2 . . 5.500 4.445 4.445 4.445 . 0 0 "[ ]" 1
1212 1 62 ASN QB 1 63 VAL QG . . 9.900 2.504 2.504 2.504 . 0 0 "[ ]" 1
1213 1 59 TRP HB2 1 63 VAL QG . . 8.900 5.020 5.020 5.020 . 0 0 "[ ]" 1
1214 1 59 TRP HB3 1 63 VAL QG . . 8.900 3.668 3.668 3.668 . 0 0 "[ ]" 1
1215 1 59 TRP HD1 1 63 VAL QG . . 7.900 3.065 3.065 3.065 . 0 0 "[ ]" 1
1216 1 65 VAL QG 1 69 THR HB . . 8.900 2.819 2.819 2.819 . 0 0 "[ ]" 1
1217 1 59 TRP HB2 1 65 VAL QG . . 8.900 3.964 3.964 3.964 . 0 0 "[ ]" 1
1218 1 59 TRP HB3 1 65 VAL QG . . 8.900 3.480 3.480 3.480 . 0 0 "[ ]" 1
1219 1 65 VAL QG 1 66 GLU QB . . 9.900 4.458 4.458 4.458 . 0 0 "[ ]" 1
1220 1 65 VAL QG 1 66 GLU QG . . 9.900 4.459 4.459 4.459 . 0 0 "[ ]" 1
1221 1 59 TRP HD1 1 65 VAL QG . . 7.900 2.673 2.673 2.673 . 0 0 "[ ]" 1
1222 1 63 VAL HB 1 65 VAL QG . . 8.900 2.567 2.567 2.567 . 0 0 "[ ]" 1
1223 1 91 GLN QB 1 93 VAL MG2 . . 7.500 2.992 2.992 2.992 . 0 0 "[ ]" 1
1224 1 93 VAL MG2 1 99 ARG QD . . 7.500 4.189 4.189 4.189 . 0 0 "[ ]" 1
1225 1 93 VAL MG2 1 99 ARG QG . . 7.500 4.655 4.655 4.655 . 0 0 "[ ]" 1
1226 1 93 VAL MG2 1 99 ARG QB . . 7.500 2.878 2.878 2.878 . 0 0 "[ ]" 1
1227 1 93 VAL MG2 1 96 THR HB . . 6.500 4.575 4.575 4.575 . 0 0 "[ ]" 1
1228 1 93 VAL MG1 1 96 THR HB . . 6.500 2.507 2.507 2.507 . 0 0 "[ ]" 1
1229 1 72 VAL MG1 1 76 ARG QG . . 7.500 3.291 3.291 3.291 . 0 0 "[ ]" 1
1230 1 72 VAL MG1 1 76 ARG QD . . 6.500 2.443 2.443 2.443 . 0 0 "[ ]" 1
1231 1 72 VAL MG1 1 73 HIS HD2 . . 5.500 3.629 3.629 3.629 . 0 0 "[ ]" 1
1232 1 72 VAL MG1 1 73 HIS HE1 . . 6.500 4.859 4.859 4.859 . 0 0 "[ ]" 1
1233 1 59 TRP HZ2 1 72 VAL MG1 . . 6.500 5.415 5.415 5.415 . 0 0 "[ ]" 1
1234 1 71 ASP HB2 1 72 VAL MG2 . . 6.500 3.370 3.370 3.370 . 0 0 "[ ]" 1
1235 1 33 THR MG 1 58 VAL MG1 . . 8.000 2.168 2.168 2.168 . 0 0 "[ ]" 1
1236 1 37 LEU MD1 1 58 VAL MG1 . . 7.000 3.666 3.666 3.666 . 0 0 "[ ]" 1
1237 1 37 LEU MD2 1 58 VAL MG1 . . 7.000 3.016 3.016 3.016 . 0 0 "[ ]" 1
1238 1 37 LEU HG 1 58 VAL MG1 . . 6.500 2.358 2.358 2.358 . 0 0 "[ ]" 1
1239 1 37 LEU QB 1 58 VAL MG1 . . 7.500 4.016 4.016 4.016 . 0 0 "[ ]" 1
1240 1 36 LYS QE 1 58 VAL MG1 . . 7.500 4.056 4.056 4.056 . 0 0 "[ ]" 1
1241 1 36 LYS QD 1 58 VAL MG1 . . 7.500 2.131 2.131 2.131 . 0 0 "[ ]" 1
1242 1 36 LYS QG 1 58 VAL MG1 . . 7.500 3.345 3.345 3.345 . 0 0 "[ ]" 1
1243 1 36 LYS HB2 1 58 VAL MG1 . . 6.500 2.042 2.042 2.042 . 0 0 "[ ]" 1
1244 1 36 LYS HB3 1 58 VAL MG1 . . 6.500 2.056 2.056 2.056 . 0 0 "[ ]" 1
1245 1 58 VAL MG1 1 59 TRP HE3 . . 5.500 2.943 2.943 2.943 . 0 0 "[ ]" 1
1246 1 58 VAL MG1 1 59 TRP HZ2 . . 6.500 4.561 4.561 4.561 . 0 0 "[ ]" 1
1247 1 58 VAL MG1 1 59 TRP HH2 . . 6.500 4.095 4.095 4.095 . 0 0 "[ ]" 1
1248 1 58 VAL MG1 1 59 TRP HD1 . . 6.500 5.110 5.110 5.110 . 0 0 "[ ]" 1
1249 1 40 PHE QD 1 58 VAL MG1 . . 8.500 5.546 5.546 5.546 . 0 0 "[ ]" 1
1250 1 90 VAL MG2 1 100 PHE HB2 . . 6.500 4.258 4.258 4.258 . 0 0 "[ ]" 1
1251 1 90 VAL MG2 1 100 PHE QD . . 6.500 2.170 2.170 2.170 . 0 0 "[ ]" 1
1252 1 90 VAL MG2 1 100 PHE QE . . 7.500 2.461 2.461 2.461 . 0 0 "[ ]" 1
1253 1 90 VAL MG2 1 100 PHE HZ . . 6.500 4.530 4.530 4.530 . 0 0 "[ ]" 1
1254 1 78 ARG QG 1 90 VAL MG2 . . 7.500 3.154 3.154 3.154 . 0 0 "[ ]" 1
1255 1 78 ARG QD 1 90 VAL MG2 . . 7.500 4.384 4.384 4.384 . 0 0 "[ ]" 1
1256 1 6 VAL QG 1 13 SER QB . . 8.900 2.536 2.536 2.536 . 0 0 "[ ]" 1
1257 1 6 VAL QG 1 15 ASP HB2 . . 8.900 2.862 2.862 2.862 . 0 0 "[ ]" 1
1258 1 6 VAL QG 1 15 ASP HB3 . . 8.900 4.171 4.171 4.171 . 0 0 "[ ]" 1
1259 1 65 VAL QG 1 69 THR MG . . 10.400 2.513 2.513 2.513 . 0 0 "[ ]" 1
1260 1 59 TRP HZ2 1 65 VAL QG . . 8.900 4.570 4.570 4.570 . 0 0 "[ ]" 1
1261 1 48 VAL MG1 1 99 ARG QD . . 7.500 4.138 4.138 4.138 . 0 0 "[ ]" 1
1262 1 48 VAL MG1 1 96 THR MG . . 8.000 3.587 3.587 3.587 . 0 0 "[ ]" 1
1263 1 90 VAL MG1 1 100 PHE QD . . 8.500 3.781 3.781 3.781 . 0 0 "[ ]" 1
1264 1 90 VAL MG1 1 100 PHE QE . . 8.500 4.843 4.843 4.843 . 0 0 "[ ]" 1
1265 1 90 VAL MG1 1 98 TYR QD . . 8.500 3.659 3.659 3.659 . 0 0 "[ ]" 1
1266 1 78 ARG QD 1 90 VAL MG1 . . 7.500 2.602 2.602 2.602 . 0 0 "[ ]" 1
1267 1 90 VAL MG1 1 98 TYR HB2 . . 6.500 4.109 4.109 4.109 . 0 0 "[ ]" 1
1268 1 69 THR MG 1 73 HIS HD2 . . 4.500 2.076 2.076 2.076 . 0 0 "[ ]" 1
1269 1 69 THR MG 1 73 HIS HE1 . . 6.500 4.827 4.827 4.827 . 0 0 "[ ]" 1
1270 1 59 TRP HD1 1 69 THR MG . . 6.500 4.229 4.229 4.229 . 0 0 "[ ]" 1
1271 1 59 TRP HZ2 1 69 THR MG . . 4.500 2.951 2.951 2.951 . 0 0 "[ ]" 1
1272 1 56 ASN HB2 1 61 THR MG . . 6.500 4.206 4.206 4.206 . 0 0 "[ ]" 1
1273 1 56 ASN HB3 1 61 THR MG . . 6.500 4.107 4.107 4.107 . 0 0 "[ ]" 1
1274 1 17 THR MG 1 18 SER QB . . 7.500 4.791 4.791 4.791 . 0 0 "[ ]" 1
1275 1 17 THR MG 1 19 HIS HD2 . . 6.500 5.418 5.418 5.418 . 0 0 "[ ]" 1
1276 1 33 THR MG 1 73 HIS HB2 . . 6.500 3.266 3.266 3.266 . 0 0 "[ ]" 1
1277 1 33 THR MG 1 73 HIS HB3 . . 6.500 2.786 2.786 2.786 . 0 0 "[ ]" 1
1278 1 33 THR MG 1 36 LYS QG . . 7.500 4.844 4.844 4.844 . 0 0 "[ ]" 1
1279 1 33 THR MG 1 36 LYS HB2 . . 6.500 3.600 3.600 3.600 . 0 0 "[ ]" 1
1280 1 33 THR HG1 1 36 LYS HB3 . . 6.500 6.192 6.192 6.192 . 0 0 "[ ]" 1
1281 1 33 THR MG 1 59 TRP HZ2 . . 4.500 2.558 2.558 2.558 . 0 0 "[ ]" 1
1282 1 33 THR MG 1 59 TRP HD1 . . 5.500 4.214 4.214 4.214 . 0 0 "[ ]" 1
1283 1 33 THR MG 1 73 HIS HD2 . . 4.500 3.505 3.505 3.505 . 0 0 "[ ]" 1
1284 1 33 THR MG 1 73 HIS HE1 . . 6.500 3.554 3.554 3.554 . 0 0 "[ ]" 1
1285 1 59 TRP HZ2 1 70 VAL MG1 . . 6.500 4.173 4.173 4.173 . 0 0 "[ ]" 1
1286 1 59 TRP HH2 1 70 VAL MG1 . . 7.500 2.559 2.559 2.559 . 0 0 "[ ]" 1
1287 1 70 VAL MG1 1 98 TYR QD . . 7.500 3.701 3.701 3.701 . 0 0 "[ ]" 1
1288 1 70 VAL MG1 1 98 TYR QE . . 6.500 2.318 2.318 2.318 . 0 0 "[ ]" 1
1289 1 14 LEU MD1 1 21 VAL MG1 . . 7.000 3.278 3.278 3.278 . 0 0 "[ ]" 1
1290 1 14 LEU MD2 1 21 VAL MG1 . . 8.000 5.086 5.086 5.086 . 0 0 "[ ]" 1
1291 1 21 VAL MG1 1 35 PHE QD . . 8.500 4.779 4.779 4.779 . 0 0 "[ ]" 1
1292 1 21 VAL MG1 1 35 PHE QE . . 8.500 4.471 4.471 4.471 . 0 0 "[ ]" 1
1293 1 36 LYS QD 1 58 VAL MG2 . . 7.500 3.468 3.468 3.468 . 0 0 "[ ]" 1
1294 1 36 LYS QG 1 58 VAL MG2 . . 7.500 3.960 3.960 3.960 . 0 0 "[ ]" 1
1295 1 37 LEU MD1 1 58 VAL MG2 . . 7.000 4.116 4.116 4.116 . 0 0 "[ ]" 1
1296 1 37 LEU MD2 1 58 VAL MG2 . . 6.000 2.101 2.101 2.101 . 0 0 "[ ]" 1
1297 1 40 PHE HB2 1 58 VAL MG2 . . 6.500 2.709 2.709 2.709 . 0 0 "[ ]" 1
1298 1 40 PHE HB3 1 58 VAL MG2 . . 6.500 2.958 2.958 2.958 . 0 0 "[ ]" 1
1299 1 40 PHE QD 1 58 VAL MG2 . . 7.500 3.322 3.322 3.322 . 0 0 "[ ]" 1
1300 1 40 PHE QE 1 58 VAL MG2 . . 8.500 4.465 4.465 4.465 . 0 0 "[ ]" 1
1301 1 57 HIS HB2 1 58 VAL MG2 . . 6.500 3.138 3.138 3.138 . 0 0 "[ ]" 1
1302 1 57 HIS HB3 1 58 VAL MG2 . . 6.500 3.232 3.232 3.232 . 0 0 "[ ]" 1
1303 1 57 HIS HD2 1 58 VAL MG2 . . 6.500 5.199 5.199 5.199 . 0 0 "[ ]" 1
1304 1 58 VAL MG2 1 59 TRP HE3 . . 6.500 3.833 3.833 3.833 . 0 0 "[ ]" 1
1305 1 58 VAL MG2 1 59 TRP HH2 . . 7.500 4.999 4.999 4.999 . 0 0 "[ ]" 1
1306 1 89 MET QG 1 102 THR MG . . 7.500 3.474 3.474 3.474 . 0 0 "[ ]" 1
1307 1 9 MET QG 1 102 THR MG . . 7.500 4.151 4.151 4.151 . 0 0 "[ ]" 1
1308 1 10 GLN HB2 1 102 THR MG . . 6.500 3.059 3.059 3.059 . 0 0 "[ ]" 1
1309 1 10 GLN HB3 1 102 THR MG . . 6.500 3.903 3.903 3.903 . 0 0 "[ ]" 1
1310 1 10 GLN QG 1 102 THR MG . . 6.500 4.461 4.461 4.461 . 0 0 "[ ]" 1
1311 1 100 PHE QD 1 102 THR MG . . 8.500 2.635 2.635 2.635 . 0 0 "[ ]" 1
1312 1 100 PHE QE 1 102 THR MG . . 8.500 2.574 2.574 2.574 . 0 0 "[ ]" 1
1313 1 100 PHE HZ 1 102 THR MG . . 6.500 3.642 3.642 3.642 . 0 0 "[ ]" 1
1314 1 14 LEU MD1 1 21 VAL MG2 . . 8.000 2.290 2.290 2.290 . 0 0 "[ ]" 1
1315 1 14 LEU MD2 1 21 VAL MG2 . . 8.000 3.977 3.977 3.977 . 0 0 "[ ]" 1
1316 1 21 VAL MG2 1 35 PHE QD . . 6.500 2.230 2.230 2.230 . 0 0 "[ ]" 1
1317 1 21 VAL MG2 1 35 PHE QE . . 6.500 2.133 2.133 2.133 . 0 0 "[ ]" 1
1318 1 21 VAL MG2 1 35 PHE HZ . . 5.500 4.000 4.000 4.000 . 0 0 "[ ]" 1
1319 1 39 HIS HD2 1 43 THR MG . . 4.500 2.850 2.850 2.850 . 0 0 "[ ]" 1
1320 1 39 HIS HE1 1 43 THR MG . . 6.500 4.360 4.360 4.360 . 0 0 "[ ]" 1
1321 1 43 THR MG 1 44 HIS HE1 . . 5.500 3.970 3.970 3.970 . 0 0 "[ ]" 1
1322 1 92 THR MG 1 98 TYR QD . . 7.500 2.685 2.685 2.685 . 0 0 "[ ]" 1
1323 1 92 THR MG 1 98 TYR QE . . 6.500 2.366 2.366 2.366 . 0 0 "[ ]" 1
1324 1 92 THR MG 1 98 TYR HB2 . . 6.500 5.816 5.816 5.816 . 0 0 "[ ]" 1
1325 1 55 LEU MD2 1 70 VAL MG2 . . 8.000 2.105 2.105 2.105 . 0 0 "[ ]" 1
1326 1 55 LEU MD1 1 70 VAL MG2 . . 8.000 2.331 2.331 2.331 . 0 0 "[ ]" 1
1327 1 55 LEU HG 1 70 VAL MG2 . . 8.900 2.098 2.098 2.098 . 0 0 "[ ]" 1
1328 1 55 LEU HB3 1 70 VAL MG2 . . 6.500 4.433 4.433 4.433 . 0 0 "[ ]" 1
1329 1 55 LEU HB2 1 70 VAL MG2 . . 6.500 4.156 4.156 4.156 . 0 0 "[ ]" 1
1330 1 51 ARG QB 1 70 VAL MG2 . . 7.500 2.251 2.251 2.251 . 0 0 "[ ]" 1
1331 1 59 TRP HE3 1 70 VAL MG2 . . 6.500 4.123 4.123 4.123 . 0 0 "[ ]" 1
1332 1 59 TRP HZ2 1 70 VAL MG2 . . 5.500 3.844 3.844 3.844 . 0 0 "[ ]" 1
1333 1 59 TRP HH2 1 70 VAL MG2 . . 6.500 3.489 3.489 3.489 . 0 0 "[ ]" 1
1334 1 48 VAL MG2 1 99 ARG QG . . 6.500 3.728 3.728 3.728 . 0 0 "[ ]" 1
1335 1 48 VAL MG2 1 99 ARG QD . . 7.500 2.262 2.262 2.262 . 0 0 "[ ]" 1
1336 1 12 LEU MD2 1 86 HIS HB3 . . 6.500 3.029 3.029 3.029 . 0 0 "[ ]" 1
1337 1 12 LEU MD2 1 86 HIS HB2 . . 6.500 3.709 3.709 3.709 . 0 0 "[ ]" 1
1338 1 12 LEU MD2 1 86 HIS HD2 . . 6.500 2.746 2.746 2.746 . 0 0 "[ ]" 1
1339 1 12 LEU MD2 1 100 PHE HZ . . 6.500 2.681 2.681 2.681 . 0 0 "[ ]" 1
1340 1 12 LEU MD2 1 100 PHE QE . . 8.500 3.540 3.540 3.540 . 0 0 "[ ]" 1
1341 1 12 LEU MD1 1 86 HIS HB2 . . 6.500 3.807 3.807 3.807 . 0 0 "[ ]" 1
1342 1 12 LEU MD1 1 81 LEU MD2 . . 7.000 2.394 2.394 2.394 . 0 0 "[ ]" 1
1343 1 12 LEU MD1 1 86 HIS HD2 . . 5.500 2.906 2.906 2.906 . 0 0 "[ ]" 1
1344 1 14 LEU MD2 1 39 HIS HB3 . . 5.500 4.247 4.247 4.247 . 0 0 "[ ]" 1
1345 1 14 LEU MD2 1 39 HIS HB2 . . 6.500 2.955 2.955 2.955 . 0 0 "[ ]" 1
1346 1 7 ILE HB 1 14 LEU MD2 . . 6.500 2.818 2.818 2.818 . 0 0 "[ ]" 1
1347 1 14 LEU MD2 1 16 PRO QD . . 7.500 2.099 2.099 2.099 . 0 0 "[ ]" 1
1348 1 14 LEU MD2 1 16 PRO QG . . 7.500 2.634 2.634 2.634 . 0 0 "[ ]" 1
1349 1 14 LEU MD2 1 35 PHE QD . . 8.500 4.430 4.430 4.430 . 0 0 "[ ]" 1
1350 1 14 LEU MD2 1 35 PHE QE . . 6.500 2.981 2.981 2.981 . 0 0 "[ ]" 1
1351 1 14 LEU MD2 1 35 PHE HZ . . 4.500 2.285 2.285 2.285 . 0 0 "[ ]" 1
1352 1 14 LEU MD2 1 39 HIS HD2 . . 4.500 2.555 2.555 2.555 . 0 0 "[ ]" 1
1353 1 14 LEU MD2 1 39 HIS HE1 . . 6.500 4.498 4.498 4.498 . 0 0 "[ ]" 1
1354 1 14 LEU MD1 1 39 HIS HB3 . . 5.500 4.024 4.024 4.024 . 0 0 "[ ]" 1
1355 1 14 LEU MD1 1 39 HIS HB2 . . 6.500 2.594 2.594 2.594 . 0 0 "[ ]" 1
1356 1 14 LEU MD1 1 35 PHE QD . . 7.500 3.566 3.566 3.566 . 0 0 "[ ]" 1
1357 1 14 LEU MD1 1 35 PHE QE . . 6.500 2.991 2.991 2.991 . 0 0 "[ ]" 1
1358 1 14 LEU MD1 1 35 PHE HZ . . 5.500 3.215 3.215 3.215 . 0 0 "[ ]" 1
1359 1 14 LEU MD1 1 39 HIS HD2 . . 5.500 3.652 3.652 3.652 . 0 0 "[ ]" 1
1360 1 12 LEU MD1 1 28 LEU MD1 . . 8.000 2.364 2.364 2.364 . 0 0 "[ ]" 1
1361 1 28 LEU MD1 1 86 HIS HD2 . . 6.500 5.399 5.399 5.399 . 0 0 "[ ]" 1
1362 1 37 LEU MD1 1 41 PHE QD . . 8.500 4.811 4.811 4.811 . 0 0 "[ ]" 1
1363 1 37 LEU MD2 1 41 PHE QD . . 8.500 4.163 4.163 4.163 . 0 0 "[ ]" 1
1364 1 37 LEU MD1 1 41 PHE QE . . 7.500 3.510 3.510 3.510 . 0 0 "[ ]" 1
1365 1 37 LEU MD2 1 41 PHE QE . . 7.500 2.935 2.935 2.935 . 0 0 "[ ]" 1
1366 1 37 LEU MD1 1 41 PHE HZ . . 6.500 4.776 4.776 4.776 . 0 0 "[ ]" 1
1367 1 37 LEU MD2 1 41 PHE HZ . . 6.500 3.447 3.447 3.447 . 0 0 "[ ]" 1
1368 1 37 LEU MD1 1 40 PHE QD . . 8.500 6.318 6.318 6.318 . 0 0 "[ ]" 1
1369 1 37 LEU MD2 1 40 PHE QD . . 7.500 3.977 3.977 3.977 . 0 0 "[ ]" 1
1370 1 37 LEU MD1 1 73 HIS HB2 . . 6.500 2.716 2.716 2.716 . 0 0 "[ ]" 1
1371 1 37 LEU MD2 1 73 HIS HB2 . . 6.500 4.397 4.397 4.397 . 0 0 "[ ]" 1
1372 1 37 LEU MD1 1 73 HIS HB3 . . 6.500 2.371 2.371 2.371 . 0 0 "[ ]" 1
1373 1 37 LEU MD2 1 73 HIS HB3 . . 6.500 4.534 4.534 4.534 . 0 0 "[ ]" 1
1374 1 37 LEU MD1 1 54 LEU MD2 . . 7.000 4.425 4.425 4.425 . 0 0 "[ ]" 1
1375 1 37 LEU MD2 1 54 LEU MD2 . . 6.000 2.145 2.145 2.145 . 0 0 "[ ]" 1
1376 1 37 LEU MD2 1 77 LEU MD2 . . 8.000 3.855 3.855 3.855 . 0 0 "[ ]" 1
1377 1 37 LEU MD1 1 77 LEU MD2 . . 8.000 2.888 2.888 2.888 . 0 0 "[ ]" 1
1378 1 37 LEU MD1 1 77 LEU MD1 . . 8.000 4.208 4.208 4.208 . 0 0 "[ ]" 1
1379 1 37 LEU MD1 1 59 TRP HZ2 . . 5.500 3.731 3.731 3.731 . 0 0 "[ ]" 1
1380 1 37 LEU MD2 1 59 TRP HZ2 . . 5.500 4.608 4.608 4.608 . 0 0 "[ ]" 1
1381 1 37 LEU MD1 1 59 TRP HZ3 . . 5.500 3.524 3.524 3.524 . 0 0 "[ ]" 1
1382 1 37 LEU MD2 1 59 TRP HZ3 . . 5.500 2.082 2.082 2.082 . 0 0 "[ ]" 1
1383 1 35 PHE QD 1 38 LEU QD . . 10.900 3.990 3.990 3.990 . 0 0 "[ ]" 1
1384 1 35 PHE QE 1 38 LEU QD . . 10.900 4.317 4.317 4.317 . 0 0 "[ ]" 1
1385 1 54 LEU MD1 1 98 TYR HB3 . . 5.500 4.102 4.102 4.102 . 0 0 "[ ]" 1
1386 1 54 LEU MD1 1 98 TYR HB2 . . 6.500 2.828 2.828 2.828 . 0 0 "[ ]" 1
1387 1 54 LEU MD1 1 98 TYR QD . . 8.500 2.103 2.103 2.103 . 0 0 "[ ]" 1
1388 1 54 LEU MD1 1 98 TYR QE . . 8.500 2.560 2.560 2.560 . 0 0 "[ ]" 1
1389 1 49 TYR QD 1 54 LEU MD1 . . 8.500 4.620 4.620 4.620 . 0 0 "[ ]" 1
1390 1 49 TYR QE 1 54 LEU MD1 . . 8.500 6.174 6.174 6.174 . 0 0 "[ ]" 1
1391 1 41 PHE QD 1 54 LEU MD1 . . 8.500 4.793 4.793 4.793 . 0 0 "[ ]" 1
1392 1 41 PHE QE 1 54 LEU MD1 . . 7.500 3.232 3.232 3.232 . 0 0 "[ ]" 1
1393 1 41 PHE HZ 1 54 LEU MD1 . . 6.500 2.539 2.539 2.539 . 0 0 "[ ]" 1
1394 1 40 PHE QD 1 54 LEU MD1 . . 8.500 4.434 4.434 4.434 . 0 0 "[ ]" 1
1395 1 40 PHE QE 1 54 LEU MD1 . . 8.500 4.741 4.741 4.741 . 0 0 "[ ]" 1
1396 1 54 LEU MD1 1 59 TRP HH2 . . 7.500 4.137 4.137 4.137 . 0 0 "[ ]" 1
1397 1 49 TYR HB3 1 54 LEU MD2 . . 5.500 2.830 2.830 2.830 . 0 0 "[ ]" 1
1398 1 49 TYR HB2 1 54 LEU MD2 . . 6.500 3.247 3.247 3.247 . 0 0 "[ ]" 1
1399 1 40 PHE QD 1 54 LEU MD2 . . 6.500 2.267 2.267 2.267 . 0 0 "[ ]" 1
1400 1 40 PHE QE 1 54 LEU MD2 . . 6.500 2.345 2.345 2.345 . 0 0 "[ ]" 1
1401 1 40 PHE HZ 1 54 LEU MD2 . . 6.500 4.264 4.264 4.264 . 0 0 "[ ]" 1
1402 1 49 TYR QD 1 54 LEU MD2 . . 7.500 3.609 3.609 3.609 . 0 0 "[ ]" 1
1403 1 49 TYR QE 1 54 LEU MD2 . . 8.500 4.616 4.616 4.616 . 0 0 "[ ]" 1
1404 1 41 PHE QD 1 54 LEU MD2 . . 8.500 4.062 4.062 4.062 . 0 0 "[ ]" 1
1405 1 41 PHE QE 1 54 LEU MD2 . . 7.500 3.144 3.144 3.144 . 0 0 "[ ]" 1
1406 1 41 PHE HZ 1 54 LEU MD2 . . 5.500 3.327 3.327 3.327 . 0 0 "[ ]" 1
1407 1 54 LEU MD2 1 59 TRP HH2 . . 7.500 5.181 5.181 5.181 . 0 0 "[ ]" 1
1408 1 54 LEU MD2 1 57 HIS HD2 . . 6.500 3.864 3.864 3.864 . 0 0 "[ ]" 1
1409 1 55 LEU MD2 1 59 TRP HB2 . . 6.500 2.743 2.743 2.743 . 0 0 "[ ]" 1
1410 1 55 LEU MD2 1 59 TRP HB3 . . 6.500 3.385 3.385 3.385 . 0 0 "[ ]" 1
1411 1 55 LEU MD2 1 65 VAL HB . . 6.500 4.024 4.024 4.024 . 0 0 "[ ]" 1
1412 1 55 LEU MD2 1 59 TRP HE3 . . 6.500 3.004 3.004 3.004 . 0 0 "[ ]" 1
1413 1 55 LEU MD2 1 59 TRP HH2 . . 6.500 4.505 4.505 4.505 . 0 0 "[ ]" 1
1414 1 55 LEU MD2 1 59 TRP HZ2 . . 6.500 4.216 4.216 4.216 . 0 0 "[ ]" 1
1415 1 55 LEU MD2 1 59 TRP HZ3 . . 6.500 4.002 4.002 4.002 . 0 0 "[ ]" 1
1416 1 55 LEU MD2 1 69 THR HB . . 6.500 3.426 3.426 3.426 . 0 0 "[ ]" 1
1417 1 55 LEU MD2 1 64 TYR QD . . 8.500 6.223 6.223 6.223 . 0 0 "[ ]" 1
1418 1 55 LEU MD1 1 59 TRP HB2 . . 6.500 4.889 4.889 4.889 . 0 0 "[ ]" 1
1419 1 55 LEU MD1 1 59 TRP HE3 . . 6.500 5.356 5.356 5.356 . 0 0 "[ ]" 1
1420 1 55 LEU MD1 1 64 TYR QD . . 8.500 5.549 5.549 5.549 . 0 0 "[ ]" 1
1421 1 55 LEU MD1 1 64 TYR QE . . 8.500 5.589 5.589 5.589 . 0 0 "[ ]" 1
1422 1 41 PHE QD 1 77 LEU MD2 . . 6.500 2.694 2.694 2.694 . 0 0 "[ ]" 1
1423 1 41 PHE QE 1 77 LEU MD2 . . 6.500 2.697 2.697 2.697 . 0 0 "[ ]" 1
1424 1 41 PHE HZ 1 77 LEU MD2 . . 6.500 4.733 4.733 4.733 . 0 0 "[ ]" 1
1425 1 37 LEU HG 1 77 LEU MD2 . . 6.500 4.436 4.436 4.436 . 0 0 "[ ]" 1
1426 1 34 GLU HB2 1 77 LEU MD1 . . 6.500 3.962 3.962 3.962 . 0 0 "[ ]" 1
1427 1 34 GLU HB3 1 77 LEU MD1 . . 6.500 2.594 2.594 2.594 . 0 0 "[ ]" 1
1428 1 81 LEU MD1 1 87 ASP HB3 . . 6.500 4.131 4.131 4.131 . 0 0 "[ ]" 1
1429 1 81 LEU MD1 1 87 ASP HB2 . . 6.500 4.268 4.268 4.268 . 0 0 "[ ]" 1
1430 1 81 LEU MD1 1 100 PHE QE . . 8.500 3.423 3.423 3.423 . 0 0 "[ ]" 1
1431 1 81 LEU MD1 1 100 PHE HZ . . 6.500 4.713 4.713 4.713 . 0 0 "[ ]" 1
1432 1 81 LEU MD2 1 86 HIS HB3 . . 6.500 2.672 2.672 2.672 . 0 0 "[ ]" 1
1433 1 81 LEU MD2 1 86 HIS HB2 . . 6.500 2.411 2.411 2.411 . 0 0 "[ ]" 1
1434 1 81 LEU MD2 1 100 PHE QE . . 8.500 4.622 4.622 4.622 . 0 0 "[ ]" 1
1435 1 9 MET ME 1 102 THR MG . . 7.000 2.223 2.223 2.223 . 0 0 "[ ]" 1
1436 1 7 ILE MG 1 9 MET ME . . 8.000 3.670 3.670 3.670 . 0 0 "[ ]" 1
1437 1 7 ILE MD 1 9 MET ME . . 8.000 5.551 5.551 5.551 . 0 0 "[ ]" 1
1438 1 9 MET ME 1 45 PRO QD . . 7.500 3.492 3.492 3.492 . 0 0 "[ ]" 1
1439 1 9 MET ME 1 100 PHE QD . . 6.500 2.966 2.966 2.966 . 0 0 "[ ]" 1
1440 1 9 MET ME 1 100 PHE QE . . 6.500 2.293 2.293 2.293 . 0 0 "[ ]" 1
1441 1 9 MET ME 1 100 PHE HZ . . 5.500 4.403 4.403 4.403 . 0 0 "[ ]" 1
1442 1 22 MET ME 1 27 PRO QD . . 7.500 3.742 3.742 3.742 . 0 0 "[ ]" 1
1443 1 20 ARG QD 1 22 MET ME . . 7.500 3.952 3.952 3.952 . 0 0 "[ ]" 1
1444 1 21 VAL MG2 1 30 MET ME . . 8.000 2.017 2.017 2.017 . 0 0 "[ ]" 1
1445 1 21 VAL MG1 1 30 MET ME . . 8.000 2.984 2.984 2.984 . 0 0 "[ ]" 1
1446 1 21 VAL HB 1 30 MET ME . . 6.500 2.779 2.779 2.779 . 0 0 "[ ]" 1
1447 1 28 LEU MD1 1 30 MET ME . . 8.000 4.470 4.470 4.470 . 0 0 "[ ]" 1
1448 1 28 LEU HB2 1 30 MET ME . . 6.500 3.906 3.906 3.906 . 0 0 "[ ]" 1
1449 1 14 LEU MD1 1 30 MET ME . . 8.000 3.611 3.611 3.611 . 0 0 "[ ]" 1
1450 1 12 LEU MD1 1 30 MET ME . . 8.000 4.771 4.771 4.771 . 0 0 "[ ]" 1
1451 1 30 MET ME 1 35 PHE QD . . 8.500 2.339 2.339 2.339 . 0 0 "[ ]" 1
1452 1 30 MET ME 1 35 PHE QE . . 8.500 4.029 4.029 4.029 . 0 0 "[ ]" 1
1453 1 14 LEU MD1 1 42 MET ME . . 8.000 3.026 3.026 3.026 . 0 0 "[ ]" 1
1454 1 14 LEU MD2 1 42 MET ME . . 8.000 4.313 4.313 4.313 . 0 0 "[ ]" 1
1455 1 7 ILE MG 1 42 MET ME . . 8.000 3.436 3.436 3.436 . 0 0 "[ ]" 1
1456 1 7 ILE MD 1 42 MET ME . . 8.000 4.855 4.855 4.855 . 0 0 "[ ]" 1
1457 1 42 MET ME 1 100 PHE QD . . 6.500 4.836 4.836 4.836 . 0 0 "[ ]" 1
1458 1 42 MET ME 1 100 PHE QE . . 6.500 3.092 3.092 3.092 . 0 0 "[ ]" 1
1459 1 42 MET ME 1 100 PHE HZ . . 6.500 2.582 2.582 2.582 . 0 0 "[ ]" 1
1460 1 10 GLN HB2 1 89 MET ME . . 5.500 2.895 2.895 2.895 . 0 0 "[ ]" 1
1461 1 10 GLN HB3 1 89 MET ME . . 5.500 2.405 2.405 2.405 . 0 0 "[ ]" 1
1462 1 10 GLN QG 1 89 MET ME . . 6.500 3.072 3.072 3.072 . 0 0 "[ ]" 1
1463 1 12 LEU MD1 1 89 MET ME . . 8.000 4.147 4.147 4.147 . 0 0 "[ ]" 1
1464 1 12 LEU MD2 1 89 MET ME . . 8.000 2.607 2.607 2.607 . 0 0 "[ ]" 1
1465 1 12 LEU HB2 1 89 MET ME . . 6.500 3.004 3.004 3.004 . 0 0 "[ ]" 1
1466 1 89 MET ME 1 102 THR MG . . 7.000 2.225 2.225 2.225 . 0 0 "[ ]" 1
1467 1 89 MET ME 1 102 THR HB . . 6.500 3.899 3.899 3.899 . 0 0 "[ ]" 1
1468 1 86 HIS HB2 1 89 MET ME . . 6.500 4.609 4.609 4.609 . 0 0 "[ ]" 1
1469 1 86 HIS HD2 1 89 MET ME . . 5.500 2.642 2.642 2.642 . 0 0 "[ ]" 1
1470 1 89 MET ME 1 100 PHE HZ . . 6.500 2.301 2.301 2.301 . 0 0 "[ ]" 1
1471 1 89 MET ME 1 100 PHE QE . . 8.500 2.607 2.607 2.607 . 0 0 "[ ]" 1
1472 1 93 VAL HB 1 96 THR MG . . 6.500 4.152 4.152 4.152 . 0 0 "[ ]" 1
1473 1 19 HIS HD2 1 35 PHE QD . . 6.000 5.355 5.355 5.355 . 0 0 "[ ]" 1
1474 1 19 HIS HD2 1 35 PHE QE . . 6.000 4.549 4.549 4.549 . 0 0 "[ ]" 1
1475 1 19 HIS HE1 1 35 PHE QD . . 6.000 3.210 3.210 3.210 . 0 0 "[ ]" 1
1476 1 19 HIS HE1 1 35 PHE QE . . 7.000 4.123 4.123 4.123 . 0 0 "[ ]" 1
1477 1 35 PHE QE 1 39 HIS HE1 . . 7.000 4.740 4.740 4.740 . 0 0 "[ ]" 1
1478 1 49 TYR QD 1 57 HIS HD2 . . 6.000 3.907 3.907 3.907 . 0 0 "[ ]" 1
1479 1 49 TYR QE 1 57 HIS HD2 . . 6.000 3.869 3.869 3.869 . 0 0 "[ ]" 1
1480 1 59 TRP HZ2 1 73 HIS HD2 . . 4.000 2.307 2.307 2.307 . 0 0 "[ ]" 1
1481 1 59 TRP HE1 1 73 HIS HD2 . . 5.000 3.339 3.339 3.339 . 0 0 "[ ]" 1
1482 1 59 TRP HE1 1 73 HIS HE1 . . 5.000 5.037 5.037 5.037 0.037 1 0 "[ ]" 1
1483 1 41 PHE QD 1 100 PHE QD . . 8.000 3.772 3.772 3.772 . 0 0 "[ ]" 1
1484 1 40 PHE QD 1 44 HIS HE1 . . 6.000 2.757 2.757 2.757 . 0 0 "[ ]" 1
1485 1 40 PHE QE 1 44 HIS HE1 . . 6.000 2.884 2.884 2.884 . 0 0 "[ ]" 1
1486 1 40 PHE HZ 1 44 HIS HE1 . . 5.000 4.976 4.976 4.976 . 0 0 "[ ]" 1
1487 1 40 PHE QD 1 44 HIS HD2 . . 7.000 5.870 5.870 5.870 . 0 0 "[ ]" 1
1488 1 40 PHE QE 1 44 HIS HD2 . . 7.000 4.633 4.633 4.633 . 0 0 "[ ]" 1
1489 1 40 PHE HZ 1 44 HIS HD2 . . 5.000 5.034 5.034 5.034 0.034 1 0 "[ ]" 1
1490 1 40 PHE QD 1 57 HIS HD2 . . 7.000 4.926 4.926 4.926 . 0 0 "[ ]" 1
1491 1 40 PHE QE 1 57 HIS HD2 . . 6.000 3.387 3.387 3.387 . 0 0 "[ ]" 1
1492 1 40 PHE HZ 1 57 HIS HD2 . . 4.000 2.903 2.903 2.903 . 0 0 "[ ]" 1
1493 1 40 PHE QD 1 57 HIS HE1 . . 7.000 6.239 6.239 6.239 . 0 0 "[ ]" 1
1494 1 40 PHE QE 1 57 HIS HE1 . . 7.000 4.336 4.336 4.336 . 0 0 "[ ]" 1
1495 1 40 PHE QD 1 41 PHE QD . . 8.000 4.146 4.146 4.146 . 0 0 "[ ]" 1
1496 1 40 PHE QE 1 41 PHE QD . . 8.000 5.007 5.007 5.007 . 0 0 "[ ]" 1
1497 1 40 PHE QD 1 49 TYR QD . . 9.000 4.353 4.353 4.353 . 0 0 "[ ]" 1
1498 1 40 PHE QE 1 49 TYR QD . . 8.000 3.132 3.132 3.132 . 0 0 "[ ]" 1
1499 1 40 PHE HZ 1 49 TYR QD . . 6.000 3.886 3.886 3.886 . 0 0 "[ ]" 1
1500 1 40 PHE QE 1 49 TYR QE . . 8.000 3.293 3.293 3.293 . 0 0 "[ ]" 1
1501 1 40 PHE HZ 1 49 TYR QE . . 6.000 2.642 2.642 2.642 . 0 0 "[ ]" 1
1502 1 21 VAL HB 1 28 LEU HB3 . . 4.000 3.900 3.900 3.900 . 0 0 "[ ]" 1
1503 1 21 VAL HB 1 28 LEU HB2 . . 5.000 2.546 2.546 2.546 . 0 0 "[ ]" 1
1504 1 93 VAL HB 1 96 THR HB . . 5.000 3.197 3.197 3.197 . 0 0 "[ ]" 1
1505 1 14 LEU HG 1 35 PHE QD . . 7.000 4.385 4.385 4.385 . 0 0 "[ ]" 1
1506 1 14 LEU HG 1 35 PHE QE . . 5.000 2.467 2.467 2.467 . 0 0 "[ ]" 1
1507 1 14 LEU HG 1 35 PHE HZ . . 5.000 2.547 2.547 2.547 . 0 0 "[ ]" 1
1508 1 49 TYR HB3 1 54 LEU HG . . 5.000 2.432 2.432 2.432 . 0 0 "[ ]" 1
1509 1 49 TYR HB2 1 54 LEU HG . . 5.000 3.718 3.718 3.718 . 0 0 "[ ]" 1
1510 1 78 ARG QG 1 90 VAL HB . . 6.000 2.168 2.168 2.168 . 0 0 "[ ]" 1
1511 1 78 ARG QD 1 90 VAL HB . . 6.000 3.108 3.108 3.108 . 0 0 "[ ]" 1
1512 1 10 GLN QG 1 102 THR HB . . 6.000 4.628 4.628 4.628 . 0 0 "[ ]" 1
1513 1 65 VAL HB 1 69 THR HB . . 5.000 2.731 2.731 2.731 . 0 0 "[ ]" 1
1514 1 69 THR HB 1 72 VAL HB . . 5.000 5.033 5.033 5.033 0.033 1 0 "[ ]" 1
1515 1 49 TYR QD 1 53 GLN HB2 . . 7.000 2.688 2.688 2.688 . 0 0 "[ ]" 1
1516 1 49 TYR QD 1 53 GLN HB3 . . 5.000 2.226 2.226 2.226 . 0 0 "[ ]" 1
1517 1 49 TYR QE 1 53 GLN HB2 . . 7.000 4.768 4.768 4.768 . 0 0 "[ ]" 1
1518 1 12 LEU HB2 1 86 HIS HD2 . . 5.000 2.284 2.284 2.284 . 0 0 "[ ]" 1
1519 1 12 LEU HB3 1 86 HIS HD2 . . 4.000 3.903 3.903 3.903 . 0 0 "[ ]" 1
1520 1 10 GLN HB2 1 86 HIS HD2 . . 5.000 5.004 5.004 5.004 0.004 1 0 "[ ]" 1
1521 1 10 GLN HB3 1 86 HIS HD2 . . 4.000 3.323 3.323 3.323 . 0 0 "[ ]" 1
1522 1 33 THR HB 1 73 HIS HD2 . . 5.000 5.008 5.008 5.008 0.008 1 0 "[ ]" 1
1523 1 33 THR HB 1 73 HIS HE1 . . 5.000 2.996 2.996 2.996 . 0 0 "[ ]" 1
1524 1 72 VAL HB 1 73 HIS HD2 . . 5.000 3.419 3.419 3.419 . 0 0 "[ ]" 1
1525 1 43 THR HB 1 44 HIS HD2 . . 5.000 5.051 5.051 5.051 0.051 1 0 "[ ]" 1
1526 1 43 THR HB 1 44 HIS HE1 . . 5.000 3.004 3.004 3.004 . 0 0 "[ ]" 1
1527 1 44 HIS HD2 1 47 ARG QD . . 6.000 3.604 3.604 3.604 . 0 0 "[ ]" 1
1528 1 53 GLN HB2 1 57 HIS HD2 . . 5.000 4.118 4.118 4.118 . 0 0 "[ ]" 1
1529 1 53 GLN HB3 1 57 HIS HD2 . . 4.000 2.528 2.528 2.528 . 0 0 "[ ]" 1
1530 1 56 ASN HB2 1 57 HIS HD2 . . 5.000 4.478 4.478 4.478 . 0 0 "[ ]" 1
1531 1 56 ASN HB3 1 57 HIS HD2 . . 5.000 5.016 5.016 5.016 0.016 1 0 "[ ]" 1
1532 1 40 PHE QD 1 57 HIS HB2 . . 7.000 4.413 4.413 4.413 . 0 0 "[ ]" 1
1533 1 40 PHE QD 1 57 HIS HB3 . . 7.000 3.766 3.766 3.766 . 0 0 "[ ]" 1
1534 1 40 PHE QE 1 57 HIS HB2 . . 7.000 4.072 4.072 4.072 . 0 0 "[ ]" 1
1535 1 40 PHE QE 1 57 HIS HB3 . . 7.000 3.721 3.721 3.721 . 0 0 "[ ]" 1
1536 1 40 PHE HZ 1 57 HIS HB3 . . 5.000 4.397 4.397 4.397 . 0 0 "[ ]" 1
1537 1 41 PHE QD 1 100 PHE HB3 . . 6.000 3.741 3.741 3.741 . 0 0 "[ ]" 1
1538 1 41 PHE QD 1 100 PHE HB2 . . 7.000 2.554 2.554 2.554 . 0 0 "[ ]" 1
1539 1 37 LEU QB 1 41 PHE QD . . 8.000 2.999 2.999 2.999 . 0 0 "[ ]" 1
1540 1 37 LEU HG 1 41 PHE QD . . 7.000 5.888 5.888 5.888 . 0 0 "[ ]" 1
1541 1 37 LEU HG 1 41 PHE QE . . 7.000 5.217 5.217 5.217 . 0 0 "[ ]" 1
1542 1 38 LEU QB 1 41 PHE QD . . 8.000 4.021 4.021 4.021 . 0 0 "[ ]" 1
1543 1 89 MET HB2 1 100 PHE QE . . 7.000 3.227 3.227 3.227 . 0 0 "[ ]" 1
1544 1 89 MET HB3 1 100 PHE QE . . 7.000 3.367 3.367 3.367 . 0 0 "[ ]" 1
1545 1 89 MET HB3 1 100 PHE HZ . . 5.000 4.248 4.248 4.248 . 0 0 "[ ]" 1
1546 1 54 LEU HB2 1 59 TRP HZ3 . . 6.000 3.282 3.282 3.282 . 0 0 "[ ]" 1
1547 1 54 LEU HB3 1 59 TRP HZ3 . . 5.000 2.026 2.026 2.026 . 0 0 "[ ]" 1
1548 1 58 VAL HB 1 59 TRP HZ3 . . 5.000 2.788 2.788 2.788 . 0 0 "[ ]" 1
1549 1 58 VAL HB 1 59 TRP HE3 . . 5.000 2.143 2.143 2.143 . 0 0 "[ ]" 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 52
_Distance_constraint_stats_list.Viol_count 4
_Distance_constraint_stats_list.Viol_total 0.229
_Distance_constraint_stats_list.Viol_max 0.106
_Distance_constraint_stats_list.Viol_rms 0.0186
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0044
_Distance_constraint_stats_list.Viol_average_violations_only 0.0572
_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 13 SER 0.000 0.000 . 0 "[ ]"
1 15 ASP 0.000 0.000 . 0 "[ ]"
1 20 ARG 0.000 0.000 . 0 "[ ]"
1 21 VAL 0.000 0.000 . 0 "[ ]"
1 22 MET 0.000 0.000 . 0 "[ ]"
1 28 LEU 0.000 0.000 . 0 "[ ]"
1 31 GLY 0.000 0.000 . 0 "[ ]"
1 32 PRO 0.000 0.000 . 0 "[ ]"
1 33 THR 0.000 0.000 . 0 "[ ]"
1 34 GLU 0.000 0.000 . 0 "[ ]"
1 35 PHE 0.000 0.000 . 0 "[ ]"
1 36 LYS 0.000 0.000 . 0 "[ ]"
1 37 LEU 0.000 0.000 . 0 "[ ]"
1 38 LEU 0.000 0.000 . 0 "[ ]"
1 39 HIS 0.000 0.000 . 0 "[ ]"
1 40 PHE 0.000 0.000 . 0 "[ ]"
1 41 PHE 0.000 0.000 . 0 "[ ]"
1 42 MET 0.000 0.000 . 0 "[ ]"
1 43 THR 0.000 0.000 . 0 "[ ]"
1 49 TYR 0.000 0.000 . 0 "[ ]"
1 50 SER 0.000 0.000 . 0 "[ ]"
1 51 ARG 0.000 0.000 . 0 "[ ]"
1 54 LEU 0.000 0.000 . 0 "[ ]"
1 55 LEU 0.000 0.000 . 0 "[ ]"
1 72 VAL 0.000 0.000 . 0 "[ ]"
1 73 HIS 0.000 0.000 . 0 "[ ]"
1 74 ILE 0.000 0.000 . 0 "[ ]"
1 75 ARG 0.000 0.000 . 0 "[ ]"
1 76 ARG 0.000 0.000 . 0 "[ ]"
1 77 LEU 0.003 0.003 1 0 "[ ]"
1 78 ARG 0.106 0.106 1 0 "[ ]"
1 79 LYS 0.000 0.000 . 0 "[ ]"
1 80 ALA 0.000 0.000 . 0 "[ ]"
1 81 LEU 0.003 0.003 1 0 "[ ]"
1 82 GLU 0.106 0.106 1 0 "[ ]"
1 87 ASP 0.053 0.053 1 0 "[ ]"
1 90 VAL 0.053 0.053 1 0 "[ ]"
1 91 GLN 0.067 0.067 1 0 "[ ]"
1 98 TYR 0.000 0.000 . 0 "[ ]"
1 99 ARG 0.067 0.067 1 0 "[ ]"
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 39 HIS O 1 43 THR H . . 2.300 2.010 2.010 2.010 . 0 0 "[ ]" 2
2 1 38 LEU O 1 42 MET H . . 2.300 1.907 1.907 1.907 . 0 0 "[ ]" 2
3 1 37 LEU O 1 41 PHE H . . 2.300 1.848 1.848 1.848 . 0 0 "[ ]" 2
4 1 36 LYS O 1 40 PHE H . . 2.300 1.755 1.755 1.755 . 0 0 "[ ]" 2
5 1 35 PHE O 1 39 HIS H . . 2.300 1.822 1.822 1.822 . 0 0 "[ ]" 2
6 1 34 GLU O 1 38 LEU H . . 2.300 2.113 2.113 2.113 . 0 0 "[ ]" 2
7 1 33 THR O 1 37 LEU H . . 2.300 1.956 1.956 1.956 . 0 0 "[ ]" 2
8 1 78 ARG O 1 82 GLU H . . 2.300 2.406 2.406 2.406 0.106 1 0 "[ ]" 2
9 1 77 LEU O 1 81 LEU H . . 2.300 2.303 2.303 2.303 0.003 1 0 "[ ]" 2
10 1 76 ARG O 1 80 ALA H . . 2.300 1.923 1.923 1.923 . 0 0 "[ ]" 2
11 1 75 ARG O 1 79 LYS H . . 2.300 1.844 1.844 1.844 . 0 0 "[ ]" 2
12 1 74 ILE O 1 78 ARG H . . 2.300 1.841 1.841 1.841 . 0 0 "[ ]" 2
13 1 73 HIS O 1 77 LEU H . . 2.300 1.877 1.877 1.877 . 0 0 "[ ]" 2
14 1 51 ARG O 1 55 LEU H . . 2.300 1.812 1.812 1.812 . 0 0 "[ ]" 2
15 1 50 SER O 1 54 LEU H . . 2.300 2.097 2.097 2.097 . 0 0 "[ ]" 2
16 1 72 VAL O 1 76 ARG H . . 2.300 2.102 2.102 2.102 . 0 0 "[ ]" 2
17 1 32 PRO O 1 36 LYS H . . 2.300 1.883 1.883 1.883 . 0 0 "[ ]" 2
18 1 31 GLY O 1 35 PHE H . . 2.300 2.050 2.050 2.050 . 0 0 "[ ]" 2
19 1 87 ASP O 1 90 VAL H . . 2.300 2.353 2.353 2.353 0.053 1 0 "[ ]" 2
20 1 15 ASP H 1 20 ARG O . . 2.300 1.862 1.862 1.862 . 0 0 "[ ]" 2
21 1 13 SER O 1 22 MET H . . 2.300 1.961 1.961 1.961 . 0 0 "[ ]" 2
22 1 21 VAL O 1 28 LEU H . . 2.300 1.846 1.846 1.846 . 0 0 "[ ]" 2
23 1 91 GLN H 1 99 ARG O . . 2.300 1.865 1.865 1.865 . 0 0 "[ ]" 2
24 1 91 GLN O 1 99 ARG H . . 2.300 2.367 2.367 2.367 0.067 1 0 "[ ]" 2
25 1 49 TYR O 1 98 TYR H . . 2.300 1.850 1.850 1.850 . 0 0 "[ ]" 2
26 1 49 TYR H 1 98 TYR O . . 2.300 1.906 1.906 1.906 . 0 0 "[ ]" 2
27 1 39 HIS O 1 43 THR N . 2.500 3.300 2.978 2.978 2.978 . 0 0 "[ ]" 2
28 1 38 LEU O 1 42 MET N . 2.500 3.300 2.815 2.815 2.815 . 0 0 "[ ]" 2
29 1 37 LEU O 1 41 PHE N . 2.500 3.300 2.792 2.792 2.792 . 0 0 "[ ]" 2
30 1 36 LYS O 1 40 PHE N . 2.500 3.300 2.757 2.757 2.757 . 0 0 "[ ]" 2
31 1 35 PHE O 1 39 HIS N . 2.500 3.300 2.816 2.816 2.816 . 0 0 "[ ]" 2
32 1 34 GLU O 1 38 LEU N . 2.500 3.300 3.113 3.113 3.113 . 0 0 "[ ]" 2
33 1 33 THR O 1 37 LEU N . 2.500 3.300 2.954 2.954 2.954 . 0 0 "[ ]" 2
34 1 78 ARG O 1 82 GLU N . 2.500 3.300 2.848 2.848 2.848 . 0 0 "[ ]" 2
35 1 77 LEU O 1 81 LEU N . 2.500 3.300 3.044 3.044 3.044 . 0 0 "[ ]" 2
36 1 76 ARG O 1 80 ALA N . 2.500 3.300 2.833 2.833 2.833 . 0 0 "[ ]" 2
37 1 75 ARG O 1 79 LYS N . 2.500 3.300 2.819 2.819 2.819 . 0 0 "[ ]" 2
38 1 74 ILE O 1 78 ARG N . 2.500 3.300 2.845 2.845 2.845 . 0 0 "[ ]" 2
39 1 73 HIS O 1 77 LEU N . 2.500 3.300 2.868 2.868 2.868 . 0 0 "[ ]" 2
40 1 51 ARG O 1 55 LEU N . 2.500 3.300 2.811 2.811 2.811 . 0 0 "[ ]" 2
41 1 50 SER O 1 54 LEU N . 2.500 3.300 3.105 3.105 3.105 . 0 0 "[ ]" 2
42 1 72 VAL O 1 76 ARG N . 2.500 3.300 3.040 3.040 3.040 . 0 0 "[ ]" 2
43 1 32 PRO O 1 36 LYS N . 2.500 3.300 2.825 2.825 2.825 . 0 0 "[ ]" 2
44 1 31 GLY O 1 35 PHE N . 2.500 3.300 3.003 3.003 3.003 . 0 0 "[ ]" 2
45 1 87 ASP O 1 90 VAL N . 2.500 3.300 3.035 3.035 3.035 . 0 0 "[ ]" 2
46 1 15 ASP N 1 20 ARG O . 2.500 3.300 2.816 2.816 2.816 . 0 0 "[ ]" 2
47 1 13 SER O 1 22 MET N . 2.500 3.300 2.909 2.909 2.909 . 0 0 "[ ]" 2
48 1 21 VAL O 1 28 LEU N . 2.500 3.300 2.822 2.822 2.822 . 0 0 "[ ]" 2
49 1 91 GLN N 1 99 ARG O . 2.500 3.300 2.789 2.789 2.789 . 0 0 "[ ]" 2
50 1 91 GLN O 1 99 ARG N . 2.500 3.300 3.110 3.110 3.110 . 0 0 "[ ]" 2
51 1 49 TYR O 1 98 TYR N . 2.500 3.300 2.774 2.774 2.774 . 0 0 "[ ]" 2
52 1 49 TYR N 1 98 TYR O . 2.500 3.300 2.907 2.907 2.907 . 0 0 "[ ]" 2
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