NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
425594 |
2gm2   |
7054 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2gm2
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 731
_Distance_constraint_stats_list.Viol_count 265
_Distance_constraint_stats_list.Viol_total 27.204
_Distance_constraint_stats_list.Viol_max 0.025
_Distance_constraint_stats_list.Viol_rms 0.0009
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0051
_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 12 TYR 0.004 0.004 19 0 "[ . 1 . 2]"
1 14 LEU 0.042 0.012 12 0 "[ . 1 . 2]"
1 16 ALA 0.022 0.008 20 0 "[ . 1 . 2]"
1 17 ALA 0.013 0.008 20 0 "[ . 1 . 2]"
1 18 ASP 0.013 0.013 18 0 "[ . 1 . 2]"
1 19 GLY 0.003 0.002 17 0 "[ . 1 . 2]"
1 20 ARG 0.009 0.009 2 0 "[ . 1 . 2]"
1 21 HIS 0.144 0.023 6 0 "[ . 1 . 2]"
1 22 ALA 0.124 0.023 6 0 "[ . 1 . 2]"
1 23 LYS 0.021 0.008 20 0 "[ . 1 . 2]"
1 24 VAL 0.006 0.006 20 0 "[ . 1 . 2]"
1 25 ASN 0.025 0.010 1 0 "[ . 1 . 2]"
1 26 GLU 0.088 0.011 8 0 "[ . 1 . 2]"
1 27 GLN 0.063 0.011 8 0 "[ . 1 . 2]"
1 28 ILE 0.020 0.007 12 0 "[ . 1 . 2]"
1 29 LEU 0.022 0.008 3 0 "[ . 1 . 2]"
1 30 GLN 0.015 0.008 11 0 "[ . 1 . 2]"
1 31 GLN 0.024 0.008 11 0 "[ . 1 . 2]"
1 32 SER 0.027 0.005 2 0 "[ . 1 . 2]"
1 33 PHE 0.015 0.008 13 0 "[ . 1 . 2]"
1 34 ILE 0.083 0.011 12 0 "[ . 1 . 2]"
1 35 LEU 0.011 0.004 19 0 "[ . 1 . 2]"
1 36 MET 0.014 0.010 15 0 "[ . 1 . 2]"
1 38 ASP 0.001 0.001 11 0 "[ . 1 . 2]"
1 39 GLU 0.001 0.001 11 0 "[ . 1 . 2]"
1 40 LEU 0.020 0.008 3 0 "[ . 1 . 2]"
1 41 VAL 0.064 0.011 12 0 "[ . 1 . 2]"
1 42 GLU 0.011 0.006 15 0 "[ . 1 . 2]"
1 43 HIS 0.055 0.016 16 0 "[ . 1 . 2]"
1 44 TRP 0.061 0.016 16 0 "[ . 1 . 2]"
1 45 PRO 0.002 0.002 7 0 "[ . 1 . 2]"
1 46 VAL 0.004 0.002 7 0 "[ . 1 . 2]"
1 47 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 SER 0.009 0.005 19 0 "[ . 1 . 2]"
1 49 LEU 0.059 0.016 4 0 "[ . 1 . 2]"
1 50 GLY 0.003 0.003 2 0 "[ . 1 . 2]"
1 51 GLN 0.003 0.003 2 0 "[ . 1 . 2]"
1 52 LEU 0.040 0.010 19 0 "[ . 1 . 2]"
1 53 GLN 0.013 0.010 19 0 "[ . 1 . 2]"
1 54 PRO 0.029 0.006 14 0 "[ . 1 . 2]"
1 55 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 HIS 0.027 0.009 19 0 "[ . 1 . 2]"
1 57 MET 0.020 0.010 4 0 "[ . 1 . 2]"
1 58 ASP 0.023 0.023 7 0 "[ . 1 . 2]"
1 59 ALA 0.008 0.006 4 0 "[ . 1 . 2]"
1 60 VAL 0.015 0.005 10 0 "[ . 1 . 2]"
1 61 LEU 0.000 0.000 4 0 "[ . 1 . 2]"
1 62 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 LEU 0.005 0.005 20 0 "[ . 1 . 2]"
1 64 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 PRO 0.019 0.010 15 0 "[ . 1 . 2]"
1 66 ALA 0.002 0.002 4 0 "[ . 1 . 2]"
1 67 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ILE 0.007 0.005 7 0 "[ . 1 . 2]"
1 69 LEU 0.050 0.006 12 0 "[ . 1 . 2]"
1 70 LEU 0.037 0.015 3 0 "[ . 1 . 2]"
1 71 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 THR 0.024 0.010 6 0 "[ . 1 . 2]"
1 73 GLY 0.002 0.002 3 0 "[ . 1 . 2]"
1 74 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ARG 0.016 0.015 2 0 "[ . 1 . 2]"
1 76 GLN 0.051 0.022 12 0 "[ . 1 . 2]"
1 77 GLN 0.060 0.022 12 0 "[ . 1 . 2]"
1 78 PHE 0.043 0.008 19 0 "[ . 1 . 2]"
1 79 PRO 0.041 0.005 20 0 "[ . 1 . 2]"
1 80 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 THR 0.090 0.018 3 0 "[ . 1 . 2]"
1 82 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 VAL 0.028 0.006 14 0 "[ . 1 . 2]"
1 84 LEU 0.007 0.004 3 0 "[ . 1 . 2]"
1 85 ALA 0.015 0.008 12 0 "[ . 1 . 2]"
1 86 ALA 0.002 0.002 16 0 "[ . 1 . 2]"
1 87 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 LEU 0.001 0.001 11 0 "[ . 1 . 2]"
1 89 THR 0.016 0.008 12 0 "[ . 1 . 2]"
1 90 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 ILE 0.008 0.002 4 0 "[ . 1 . 2]"
1 93 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 LEU 0.002 0.002 17 0 "[ . 1 . 2]"
1 95 GLU 0.038 0.006 12 0 "[ . 1 . 2]"
1 96 ALA 0.001 0.001 5 0 "[ . 1 . 2]"
1 97 MET 0.041 0.010 6 0 "[ . 1 . 2]"
1 98 THR 0.015 0.003 4 0 "[ . 1 . 2]"
1 99 ASN 0.003 0.002 17 0 "[ . 1 . 2]"
1 100 ALA 0.025 0.013 18 0 "[ . 1 . 2]"
1 101 ALA 0.009 0.003 19 0 "[ . 1 . 2]"
1 102 ALA 0.002 0.001 19 0 "[ . 1 . 2]"
1 103 ALA 0.005 0.005 18 0 "[ . 1 . 2]"
1 104 ARG 0.002 0.002 11 0 "[ . 1 . 2]"
1 105 THR 0.003 0.002 3 0 "[ . 1 . 2]"
1 106 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 ASN 0.031 0.011 3 0 "[ . 1 . 2]"
1 108 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 LEU 0.004 0.002 7 0 "[ . 1 . 2]"
1 110 ALA 0.001 0.001 14 0 "[ . 1 . 2]"
1 111 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 GLU 0.093 0.025 7 0 "[ . 1 . 2]"
1 113 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 ARG 0.001 0.001 14 0 "[ . 1 . 2]"
1 115 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 VAL 0.008 0.005 6 0 "[ . 1 . 2]"
1 117 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 LEU 0.045 0.012 12 0 "[ . 1 . 2]"
1 119 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 MET 0.050 0.011 2 0 "[ . 1 . 2]"
1 121 ILE 0.029 0.006 15 0 "[ . 1 . 2]"
1 122 VAL 0.047 0.011 2 0 "[ . 1 . 2]"
1 123 GLY 0.081 0.017 19 0 "[ . 1 . 2]"
1 124 GLY 0.072 0.017 19 0 "[ . 1 . 2]"
1 125 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 12 TYR QD 1 24 VAL MG1 1.800 . 5.000 3.367 1.897 4.994 . 0 0 "[ . 1 . 2]" 1
2 1 12 TYR QD 1 35 LEU MD1 1.800 . 5.000 3.656 2.605 5.004 0.004 19 0 "[ . 1 . 2]" 1
3 1 14 LEU HA 1 14 LEU MD1 1.800 . 3.200 2.016 1.855 2.130 . 0 0 "[ . 1 . 2]" 1
4 1 14 LEU HA 1 14 LEU MD2 1.800 . 5.000 3.624 2.762 3.907 . 0 0 "[ . 1 . 2]" 1
5 1 14 LEU HA 1 24 VAL HA 1.800 . 3.500 2.912 2.153 3.506 0.006 20 0 "[ . 1 . 2]" 1
6 1 14 LEU HA 1 24 VAL MG2 1.800 . 5.000 3.481 2.577 4.481 . 0 0 "[ . 1 . 2]" 1
7 1 14 LEU MD1 1 103 ALA MB 1.800 . 5.000 3.753 2.941 4.820 . 0 0 "[ . 1 . 2]" 1
8 1 14 LEU MD1 1 118 LEU MD2 1.800 . 5.000 3.611 2.451 4.414 . 0 0 "[ . 1 . 2]" 1
9 1 14 LEU MD1 1 120 MET ME 1.800 . 5.000 3.244 2.243 4.999 . 0 0 "[ . 1 . 2]" 1
10 1 14 LEU MD1 1 16 ALA H 1.800 . 5.000 3.594 2.880 5.003 0.003 14 0 "[ . 1 . 2]" 1
11 1 14 LEU MD1 1 17 ALA MB 1.800 . 5.000 3.157 1.864 4.119 . 0 0 "[ . 1 . 2]" 1
12 1 14 LEU MD1 1 22 ALA MB 1.800 . 5.000 2.899 2.123 3.855 . 0 0 "[ . 1 . 2]" 1
13 1 14 LEU MD1 1 23 LYS H 1.800 . 5.000 3.368 2.508 4.758 . 0 0 "[ . 1 . 2]" 1
14 1 14 LEU MD1 1 24 VAL MG2 1.800 . 5.000 2.342 1.815 3.289 . 0 0 "[ . 1 . 2]" 1
15 1 14 LEU MD1 1 35 LEU MD2 1.800 . 5.000 3.079 2.316 3.950 . 0 0 "[ . 1 . 2]" 1
16 1 14 LEU MD2 1 103 ALA HA 1.800 . 5.000 3.239 2.315 4.999 . 0 0 "[ . 1 . 2]" 1
17 1 14 LEU MD2 1 103 ALA MB 1.800 . 5.000 2.608 1.795 3.861 0.005 18 0 "[ . 1 . 2]" 1
18 1 14 LEU MD2 1 106 TYR QD 1.800 . 5.000 3.360 2.328 4.914 . 0 0 "[ . 1 . 2]" 1
19 1 14 LEU MD2 1 118 LEU MD2 1.800 . 5.000 2.615 2.096 3.759 . 0 0 "[ . 1 . 2]" 1
20 1 14 LEU MD2 1 120 MET ME 1.800 . 5.000 3.201 1.955 4.834 . 0 0 "[ . 1 . 2]" 1
21 1 14 LEU MD2 1 35 LEU MD2 1.800 . 5.000 2.693 1.798 3.534 0.002 2 0 "[ . 1 . 2]" 1
22 1 14 LEU HG 1 118 LEU MD2 1.800 . 5.000 4.629 3.559 5.012 0.012 12 0 "[ . 1 . 2]" 1
23 1 16 ALA HA 1 17 ALA H 1.800 . 2.700 2.205 2.103 2.487 . 0 0 "[ . 1 . 2]" 1
24 1 16 ALA MB 1 23 LYS HB3 1.800 . 5.000 3.072 1.798 5.002 0.002 10 0 "[ . 1 . 2]" 1
25 1 16 ALA MB 1 23 LYS HB2 1.800 . 5.000 2.778 1.828 3.669 . 0 0 "[ . 1 . 2]" 1
26 1 16 ALA H 1 23 LYS HB3 1.800 . 5.000 3.587 2.189 5.008 0.008 20 0 "[ . 1 . 2]" 1
27 1 16 ALA H 1 23 LYS QB 1.800 . 5.000 2.856 2.177 3.736 . 0 0 "[ . 1 . 2]" 1
28 1 16 ALA H 1 23 LYS HB2 1.800 . 5.000 3.679 2.228 5.003 0.003 2 0 "[ . 1 . 2]" 1
29 1 16 ALA H 1 23 LYS H 1.800 . 5.000 3.559 2.688 5.001 0.001 20 0 "[ . 1 . 2]" 1
30 1 17 ALA HA 1 18 ASP H 1.800 . 2.700 2.155 2.107 2.208 . 0 0 "[ . 1 . 2]" 1
31 1 17 ALA HA 1 22 ALA HA 1.800 . 5.000 2.739 2.074 3.397 . 0 0 "[ . 1 . 2]" 1
32 1 17 ALA HA 1 22 ALA MB 1.800 . 5.000 3.608 2.780 4.792 . 0 0 "[ . 1 . 2]" 1
33 1 17 ALA MB 1 100 ALA HA 1.800 . 5.000 2.870 1.797 5.008 0.008 20 0 "[ . 1 . 2]" 1
34 1 17 ALA MB 1 103 ALA MB 1.800 . 5.000 2.640 1.811 4.135 . 0 0 "[ . 1 . 2]" 1
35 1 17 ALA MB 1 120 MET ME 1.800 . 5.000 3.283 2.007 4.461 . 0 0 "[ . 1 . 2]" 1
36 1 17 ALA MB 1 22 ALA HA 1.800 . 5.000 3.812 2.395 4.780 . 0 0 "[ . 1 . 2]" 1
37 1 17 ALA MB 1 99 ASN QB 1.800 . 5.000 3.348 1.841 4.236 . 0 0 "[ . 1 . 2]" 1
38 1 18 ASP HA 1 100 ALA MB 1.800 . 5.000 4.121 2.751 5.013 0.013 18 0 "[ . 1 . 2]" 1
39 1 18 ASP HB3 1 19 GLY H 1.800 . 5.000 3.316 1.955 4.581 . 0 0 "[ . 1 . 2]" 1
40 1 18 ASP HB2 1 19 GLY H 1.800 . 5.000 3.751 2.391 4.632 . 0 0 "[ . 1 . 2]" 1
41 1 18 ASP H 1 21 HIS H 1.800 . 5.000 3.542 3.097 3.850 . 0 0 "[ . 1 . 2]" 1
42 1 19 GLY QA 1 99 ASN QD 1.800 . 5.000 3.382 1.798 5.001 0.002 17 0 "[ . 1 . 2]" 1
43 1 19 GLY H 1 20 ARG H 1.800 . 5.000 3.018 1.800 4.402 0.000 14 0 "[ . 1 . 2]" 1
44 1 20 ARG HA 1 122 VAL MG1 1.800 . 5.000 3.117 1.873 4.555 . 0 0 "[ . 1 . 2]" 1
45 1 20 ARG HA 1 123 GLY H 1.800 . 3.500 3.044 2.303 3.509 0.009 2 0 "[ . 1 . 2]" 1
46 1 20 ARG H 1 21 HIS H 1.800 . 2.700 2.232 1.921 2.700 . 7 0 "[ . 1 . 2]" 1
47 1 21 HIS HA 1 122 VAL MG1 1.800 . 5.000 2.872 1.797 4.209 0.003 13 0 "[ . 1 . 2]" 1
48 1 21 HIS HA 1 122 VAL MG2 1.800 . 5.000 3.792 1.960 4.827 . 0 0 "[ . 1 . 2]" 1
49 1 21 HIS HA 1 22 ALA H 1.800 . 2.700 2.265 2.154 2.520 . 0 0 "[ . 1 . 2]" 1
50 1 21 HIS HA 1 28 ILE MG 1.800 . 5.000 3.688 2.717 4.612 . 0 0 "[ . 1 . 2]" 1
51 1 21 HIS HA 1 30 GLN HA 1.800 . 5.000 3.647 2.365 4.911 . 0 0 "[ . 1 . 2]" 1
52 1 21 HIS HB3 1 22 ALA H 1.800 . 4.000 3.341 2.413 4.018 0.018 19 0 "[ . 1 . 2]" 1
53 1 21 HIS HB2 1 22 ALA H 1.800 . 4.000 3.604 2.162 4.023 0.023 6 0 "[ . 1 . 2]" 1
54 1 21 HIS QB 1 28 ILE MG 1.800 . 5.000 2.880 1.812 4.840 . 0 0 "[ . 1 . 2]" 1
55 1 21 HIS HD2 1 28 ILE MD 1.800 . 5.000 4.320 2.591 5.007 0.007 12 0 "[ . 1 . 2]" 1
56 1 21 HIS HD2 1 28 ILE MG 1.800 . 5.000 3.224 2.282 4.806 . 0 0 "[ . 1 . 2]" 1
57 1 21 HIS H 1 122 VAL MG1 1.800 . 5.000 3.373 2.360 4.162 . 0 0 "[ . 1 . 2]" 1
58 1 22 ALA HA 1 23 LYS H 1.800 . 2.700 2.217 2.141 2.389 . 0 0 "[ . 1 . 2]" 1
59 1 22 ALA MB 1 120 MET ME 1.800 . 5.000 3.555 2.008 4.552 . 0 0 "[ . 1 . 2]" 1
60 1 22 ALA MB 1 122 VAL MG1 1.800 . 5.000 2.965 1.929 4.420 . 0 0 "[ . 1 . 2]" 1
61 1 22 ALA MB 1 122 VAL MG2 1.800 . 5.000 2.441 1.816 3.513 . 0 0 "[ . 1 . 2]" 1
62 1 22 ALA MB 1 24 VAL MG2 1.800 . 5.000 3.150 2.714 3.567 . 0 0 "[ . 1 . 2]" 1
63 1 22 ALA MB 1 29 LEU MD1 1.800 . 5.000 4.073 3.257 5.001 0.001 3 0 "[ . 1 . 2]" 1
64 1 22 ALA MB 1 33 PHE QE 1.800 . 5.000 2.708 2.069 3.674 . 0 0 "[ . 1 . 2]" 1
65 1 22 ALA MB 1 33 PHE HZ 1.800 . 5.000 2.629 2.144 3.647 . 0 0 "[ . 1 . 2]" 1
66 1 22 ALA H 1 122 VAL QG 1.800 . 5.000 2.972 2.208 3.794 . 0 0 "[ . 1 . 2]" 1
67 1 22 ALA H 1 29 LEU H 1.800 . 5.000 3.664 3.005 5.000 0.000 7 0 "[ . 1 . 2]" 1
68 1 22 ALA H 1 30 GLN HA 1.800 . 5.000 4.099 3.245 4.965 . 0 0 "[ . 1 . 2]" 1
69 1 23 LYS HA 1 24 VAL H 1.800 . 2.700 2.165 2.113 2.228 . 0 0 "[ . 1 . 2]" 1
70 1 23 LYS HA 1 28 ILE HA 1.800 . 3.500 2.442 1.874 3.213 . 0 0 "[ . 1 . 2]" 1
71 1 23 LYS HA 1 28 ILE MD 1.800 . 5.000 4.663 1.997 5.001 0.001 19 0 "[ . 1 . 2]" 1
72 1 23 LYS HA 1 28 ILE QG 1.800 . 5.000 3.259 2.675 4.015 . 0 0 "[ . 1 . 2]" 1
73 1 24 VAL HB 1 29 LEU MD1 1.800 . 5.000 3.250 2.415 4.536 . 0 0 "[ . 1 . 2]" 1
74 1 24 VAL MG1 1 29 LEU MD1 1.800 . 5.000 3.627 3.159 4.471 . 0 0 "[ . 1 . 2]" 1
75 1 24 VAL MG1 1 35 LEU MD2 1.800 . 5.000 3.342 2.418 4.349 . 0 0 "[ . 1 . 2]" 1
76 1 24 VAL MG2 1 29 LEU MD1 1.800 . 5.000 2.372 1.801 3.832 . 0 0 "[ . 1 . 2]" 1
77 1 24 VAL MG2 1 35 LEU MD2 1.800 . 5.000 3.194 2.217 4.103 . 0 0 "[ . 1 . 2]" 1
78 1 25 ASN HB3 1 26 GLU H 1.800 . 3.500 2.205 1.798 2.952 0.002 18 0 "[ . 1 . 2]" 1
79 1 25 ASN HB2 1 26 GLU H 1.800 . 3.500 2.773 1.790 3.510 0.010 1 0 "[ . 1 . 2]" 1
80 1 26 GLU H 1 27 GLN H 1.800 . 3.500 1.866 1.789 2.159 0.011 8 0 "[ . 1 . 2]" 1
81 1 27 GLN HA 1 28 ILE H 1.800 . 2.700 2.145 2.108 2.178 . 0 0 "[ . 1 . 2]" 1
82 1 27 GLN QG 1 28 ILE H 1.800 . 5.000 3.894 2.722 4.675 . 0 0 "[ . 1 . 2]" 1
83 1 27 GLN H 1 27 GLN QG 1.800 . 5.000 3.077 2.119 4.071 . 0 0 "[ . 1 . 2]" 1
84 1 28 ILE HA 1 28 ILE MD 1.800 . 5.000 3.743 2.002 3.883 . 0 0 "[ . 1 . 2]" 1
85 1 28 ILE HA 1 28 ILE HG13 1.800 . 4.000 3.099 3.014 3.728 . 0 0 "[ . 1 . 2]" 1
86 1 28 ILE HA 1 28 ILE HG12 1.800 . 4.000 2.567 2.431 3.066 . 0 0 "[ . 1 . 2]" 1
87 1 28 ILE HA 1 29 LEU H 1.800 . 2.700 2.157 2.122 2.228 . 0 0 "[ . 1 . 2]" 1
88 1 28 ILE HG13 1 28 ILE MG 1.800 . 5.000 3.163 2.355 3.210 . 0 0 "[ . 1 . 2]" 1
89 1 28 ILE HG12 1 28 ILE MG 1.800 . 5.000 2.438 2.360 3.206 . 0 0 "[ . 1 . 2]" 1
90 1 28 ILE MG 1 29 LEU H 1.800 . 5.000 3.143 2.712 3.503 . 0 0 "[ . 1 . 2]" 1
91 1 28 ILE MG 1 30 GLN QG 1.800 . 5.000 3.030 1.897 4.750 . 0 0 "[ . 1 . 2]" 1
92 1 28 ILE H 1 28 ILE HB 1.800 . 4.000 2.535 2.462 2.582 . 0 0 "[ . 1 . 2]" 1
93 1 28 ILE H 1 28 ILE MD 1.800 . 5.000 3.731 3.438 3.907 . 0 0 "[ . 1 . 2]" 1
94 1 28 ILE H 1 28 ILE HG13 1.800 . 5.000 2.449 2.109 3.810 . 0 0 "[ . 1 . 2]" 1
95 1 28 ILE H 1 28 ILE HG12 1.800 . 5.000 3.517 2.419 3.741 . 0 0 "[ . 1 . 2]" 1
96 1 29 LEU HA 1 29 LEU MD2 1.800 . 3.200 2.081 1.912 3.206 0.006 2 0 "[ . 1 . 2]" 1
97 1 29 LEU HA 1 30 GLN H 1.800 . 2.700 2.157 2.100 2.347 . 0 0 "[ . 1 . 2]" 1
98 1 29 LEU QB 1 29 LEU MD1 1.800 . 4.000 2.111 2.096 2.271 . 0 0 "[ . 1 . 2]" 1
99 1 29 LEU QB 1 29 LEU MD2 1.800 . 5.000 2.305 2.065 2.368 . 0 0 "[ . 1 . 2]" 1
100 1 29 LEU QB 1 31 GLN H 1.800 . 4.500 3.000 2.529 3.448 . 0 0 "[ . 1 . 2]" 1
101 1 29 LEU QB 1 33 PHE QE 1.800 . 5.000 2.680 2.390 2.958 . 0 0 "[ . 1 . 2]" 1
102 1 29 LEU QB 1 33 PHE HZ 1.800 . 5.000 3.772 3.034 4.567 . 0 0 "[ . 1 . 2]" 1
103 1 29 LEU MD1 1 33 PHE QD 1.800 . 5.000 3.028 2.684 3.669 . 0 0 "[ . 1 . 2]" 1
104 1 29 LEU MD1 1 40 LEU MD2 1.800 . 5.000 2.814 1.824 5.008 0.008 3 0 "[ . 1 . 2]" 1
105 1 29 LEU MD2 1 30 GLN H 1.800 . 5.000 3.694 3.344 4.383 . 0 0 "[ . 1 . 2]" 1
106 1 29 LEU MD2 1 33 PHE QD 1.800 . 5.000 4.230 2.770 4.817 . 0 0 "[ . 1 . 2]" 1
107 1 29 LEU MD2 1 42 GLU QG 1.800 . 5.000 3.547 2.195 5.006 0.006 15 0 "[ . 1 . 2]" 1
108 1 29 LEU H 1 29 LEU HG 1.800 . 5.000 2.762 2.373 4.128 . 0 0 "[ . 1 . 2]" 1
109 1 30 GLN HA 1 122 VAL MG1 1.800 . 5.000 2.826 1.808 4.719 . 0 0 "[ . 1 . 2]" 1
110 1 30 GLN H 1 30 GLN QG 1.800 . 5.000 2.550 1.893 4.032 . 0 0 "[ . 1 . 2]" 1
111 1 30 GLN H 1 31 GLN H 1.800 . 3.500 2.771 2.271 3.508 0.008 11 0 "[ . 1 . 2]" 1
112 1 31 GLN HB3 1 32 SER H 1.800 . 5.000 2.501 1.795 3.709 0.005 2 0 "[ . 1 . 2]" 1
113 1 31 GLN HB2 1 32 SER H 1.800 . 5.000 2.603 1.801 3.673 . 0 0 "[ . 1 . 2]" 1
114 1 32 SER HA 1 122 VAL MG2 1.800 . 5.000 3.853 2.833 4.314 . 0 0 "[ . 1 . 2]" 1
115 1 32 SER HA 1 122 VAL H 1.800 . 5.000 2.982 2.360 3.563 . 0 0 "[ . 1 . 2]" 1
116 1 32 SER HA 1 33 PHE H 1.800 . 3.500 2.183 2.140 2.256 . 0 0 "[ . 1 . 2]" 1
117 1 32 SER HG 1 122 VAL H 1.800 . 5.000 4.391 2.659 5.005 0.005 1 0 "[ . 1 . 2]" 1
118 1 32 SER H 1 32 SER HG 1.800 . 5.000 3.431 2.210 4.690 . 0 0 "[ . 1 . 2]" 1
119 1 33 PHE HA 1 34 ILE H 1.800 . 2.700 2.330 2.168 2.521 . 0 0 "[ . 1 . 2]" 1
120 1 33 PHE HA 1 44 TRP H 1.800 . 5.000 3.974 2.872 5.001 0.001 12 0 "[ . 1 . 2]" 1
121 1 33 PHE QD 1 122 VAL MG2 1.800 . 5.000 3.499 2.790 4.124 . 0 0 "[ . 1 . 2]" 1
122 1 33 PHE QD 1 35 LEU MD1 1.800 . 5.000 3.962 3.665 4.394 . 0 0 "[ . 1 . 2]" 1
123 1 33 PHE QD 1 40 LEU MD1 1.800 . 5.000 2.235 1.798 2.977 0.002 4 0 "[ . 1 . 2]" 1
124 1 33 PHE QD 1 40 LEU MD2 1.800 . 5.000 4.196 3.692 5.003 0.003 12 0 "[ . 1 . 2]" 1
125 1 33 PHE QE 1 120 MET ME 1.800 . 5.000 4.268 2.748 5.002 0.002 5 0 "[ . 1 . 2]" 1
126 1 33 PHE QE 1 122 VAL MG2 1.800 . 5.000 2.451 1.938 3.165 . 0 0 "[ . 1 . 2]" 1
127 1 33 PHE H 1 122 VAL MG2 1.800 . 5.000 4.428 3.872 4.997 . 0 0 "[ . 1 . 2]" 1
128 1 33 PHE H 1 33 PHE QD 1.800 . 5.000 2.820 2.375 3.118 . 0 0 "[ . 1 . 2]" 1
129 1 33 PHE HZ 1 120 MET ME 1.800 . 5.000 3.872 1.959 5.008 0.008 13 0 "[ . 1 . 2]" 1
130 1 34 ILE HA 1 119 ALA HA 1.800 . 5.000 2.464 2.075 2.828 . 0 0 "[ . 1 . 2]" 1
131 1 34 ILE HA 1 120 MET H 1.800 . 5.000 3.258 2.823 3.688 . 0 0 "[ . 1 . 2]" 1
132 1 34 ILE HA 1 34 ILE MG 1.800 . 4.000 2.335 2.279 2.364 . 0 0 "[ . 1 . 2]" 1
133 1 34 ILE HA 1 35 LEU H 1.800 . 2.700 2.147 2.132 2.168 . 0 0 "[ . 1 . 2]" 1
134 1 34 ILE HB 1 41 VAL HB 1.800 . 5.000 1.972 1.789 4.112 0.011 12 0 "[ . 1 . 2]" 1
135 1 34 ILE MD 1 41 VAL HB 1.800 . 5.000 2.839 2.426 3.280 . 0 0 "[ . 1 . 2]" 1
136 1 34 ILE MD 1 41 VAL MG1 1.800 . 5.000 2.532 2.030 3.167 . 0 0 "[ . 1 . 2]" 1
137 1 34 ILE MD 1 41 VAL MG2 1.800 . 5.000 3.004 2.278 3.831 . 0 0 "[ . 1 . 2]" 1
138 1 34 ILE MD 1 44 TRP HE1 1.800 . 5.000 3.808 3.216 4.614 . 0 0 "[ . 1 . 2]" 1
139 1 34 ILE MD 1 59 ALA MB 1.800 . 4.000 3.474 2.778 4.006 0.006 4 0 "[ . 1 . 2]" 1
140 1 34 ILE MD 1 60 VAL HA 1.800 . 5.000 3.363 2.869 4.291 . 0 0 "[ . 1 . 2]" 1
141 1 34 ILE MD 1 60 VAL MG2 1.800 . 5.000 1.874 1.795 2.086 0.005 10 0 "[ . 1 . 2]" 1
142 1 34 ILE QG 1 60 VAL MG2 1.800 . 5.000 3.236 2.849 3.699 . 0 0 "[ . 1 . 2]" 1
143 1 34 ILE MG 1 117 ALA MB 1.800 . 5.000 2.635 2.159 3.817 . 0 0 "[ . 1 . 2]" 1
144 1 34 ILE MG 1 35 LEU H 1.800 . 5.000 2.980 2.576 3.795 . 0 0 "[ . 1 . 2]" 1
145 1 34 ILE MG 1 60 VAL HA 1.800 . 5.000 4.206 3.463 4.946 . 0 0 "[ . 1 . 2]" 1
146 1 34 ILE MG 1 60 VAL MG1 1.800 . 5.000 3.188 2.728 3.813 . 0 0 "[ . 1 . 2]" 1
147 1 34 ILE MG 1 60 VAL MG2 1.800 . 5.000 3.224 2.088 3.748 . 0 0 "[ . 1 . 2]" 1
148 1 34 ILE H 1 40 LEU MD1 1.800 . 5.000 3.696 3.326 4.397 . 0 0 "[ . 1 . 2]" 1
149 1 34 ILE H 1 41 VAL HB 1.800 . 5.000 2.842 2.150 3.637 . 0 0 "[ . 1 . 2]" 1
150 1 35 LEU HA 1 35 LEU MD1 1.800 . 3.200 2.088 2.048 2.131 . 0 0 "[ . 1 . 2]" 1
151 1 35 LEU HA 1 36 MET H 1.800 . 2.700 2.131 2.094 2.176 . 0 0 "[ . 1 . 2]" 1
152 1 35 LEU HA 1 40 LEU HA 1.800 . 5.000 2.765 2.475 2.997 . 0 0 "[ . 1 . 2]" 1
153 1 35 LEU HA 1 40 LEU MD1 1.800 . 5.000 2.392 2.145 2.862 . 0 0 "[ . 1 . 2]" 1
154 1 35 LEU MD1 1 36 MET H 1.800 . 5.000 2.434 2.092 2.805 . 0 0 "[ . 1 . 2]" 1
155 1 35 LEU MD1 1 40 LEU HA 1.800 . 5.000 3.003 2.445 3.378 . 0 0 "[ . 1 . 2]" 1
156 1 35 LEU MD1 1 40 LEU MD1 1.800 . 5.000 1.865 1.798 2.195 0.002 1 0 "[ . 1 . 2]" 1
157 1 35 LEU MD2 1 118 LEU MD1 1.800 . 5.000 4.437 4.226 4.879 . 0 0 "[ . 1 . 2]" 1
158 1 35 LEU MD2 1 118 LEU MD2 1.800 . 5.000 2.005 1.799 2.410 0.001 11 0 "[ . 1 . 2]" 1
159 1 35 LEU HG 1 36 MET H 1.800 . 5.000 3.368 3.026 3.680 . 0 0 "[ . 1 . 2]" 1
160 1 35 LEU H 1 119 ALA HA 1.800 . 5.000 3.643 3.310 4.057 . 0 0 "[ . 1 . 2]" 1
161 1 35 LEU H 1 35 LEU HB3 1.800 . 4.000 2.503 2.465 2.553 . 0 0 "[ . 1 . 2]" 1
162 1 35 LEU H 1 35 LEU HB2 1.800 . 4.000 2.935 2.898 3.046 . 0 0 "[ . 1 . 2]" 1
163 1 36 MET ME 1 117 ALA MB 1.800 . 5.000 2.814 1.931 4.583 . 0 0 "[ . 1 . 2]" 1
164 1 36 MET ME 1 65 PRO HA 1.800 . 5.000 3.748 2.727 5.010 0.010 15 0 "[ . 1 . 2]" 1
165 1 36 MET ME 1 36 MET HG3 1.800 . 5.000 3.134 2.483 3.407 . 0 0 "[ . 1 . 2]" 1
166 1 36 MET ME 1 36 MET HG2 1.800 . 5.000 2.535 2.456 3.401 . 0 0 "[ . 1 . 2]" 1
167 1 36 MET QG 1 117 ALA MB 1.800 . 5.000 3.089 2.556 4.204 . 0 0 "[ . 1 . 2]" 1
168 1 38 ASP H 1 39 GLU H 1.800 . 4.000 2.265 1.799 3.004 0.001 11 0 "[ . 1 . 2]" 1
169 1 39 GLU HA 1 40 LEU H 1.800 . 2.700 2.382 2.118 2.654 . 0 0 "[ . 1 . 2]" 1
170 1 40 LEU HA 1 40 LEU MD1 1.800 . 3.200 2.146 2.037 2.227 . 0 0 "[ . 1 . 2]" 1
171 1 40 LEU HA 1 41 VAL H 1.800 . 2.700 2.147 2.129 2.167 . 0 0 "[ . 1 . 2]" 1
172 1 40 LEU QB 1 40 LEU MD2 1.800 . 4.000 2.096 2.091 2.108 . 0 0 "[ . 1 . 2]" 1
173 1 40 LEU MD1 1 41 VAL H 1.800 . 4.000 2.458 2.242 2.810 . 0 0 "[ . 1 . 2]" 1
174 1 40 LEU MD1 1 42 GLU HA 1.800 . 5.000 3.975 3.360 4.777 . 0 0 "[ . 1 . 2]" 1
175 1 40 LEU MD1 1 42 GLU QG 1.800 . 5.000 4.130 3.089 5.004 0.004 15 0 "[ . 1 . 2]" 1
176 1 40 LEU MD2 1 42 GLU QG 1.800 . 5.000 3.336 2.349 4.425 . 0 0 "[ . 1 . 2]" 1
177 1 40 LEU H 1 40 LEU MD1 1.800 . 5.000 4.338 4.230 4.406 . 0 0 "[ . 1 . 2]" 1
178 1 40 LEU H 1 40 LEU MD2 1.800 . 5.000 4.433 4.324 4.588 . 0 0 "[ . 1 . 2]" 1
179 1 41 VAL HA 1 42 GLU H 1.800 . 2.700 2.180 2.136 2.285 . 0 0 "[ . 1 . 2]" 1
180 1 41 VAL MG1 1 42 GLU H 1.800 . 5.000 3.282 3.030 3.563 . 0 0 "[ . 1 . 2]" 1
181 1 41 VAL H 1 41 VAL MG2 1.800 . 5.000 2.414 2.217 2.707 . 0 0 "[ . 1 . 2]" 1
182 1 42 GLU H 1 42 GLU HB3 1.800 . 4.000 3.027 2.368 3.658 . 0 0 "[ . 1 . 2]" 1
183 1 42 GLU H 1 42 GLU HB2 1.800 . 4.000 2.974 2.370 3.741 . 0 0 "[ . 1 . 2]" 1
184 1 42 GLU H 1 42 GLU QG 1.800 . 5.000 2.959 1.873 4.103 . 0 0 "[ . 1 . 2]" 1
185 1 43 HIS HA 1 44 TRP H 1.800 . 2.700 2.432 2.145 2.716 0.016 16 0 "[ . 1 . 2]" 1
186 1 44 TRP HA 1 44 TRP HD1 1.800 . 5.000 2.376 2.119 2.803 . 0 0 "[ . 1 . 2]" 1
187 1 44 TRP HD1 1 45 PRO HD3 1.800 . 5.000 3.595 2.389 4.968 . 0 0 "[ . 1 . 2]" 1
188 1 44 TRP HD1 1 45 PRO QD 1.800 . 5.000 2.881 1.838 4.441 . 0 0 "[ . 1 . 2]" 1
189 1 44 TRP HD1 1 45 PRO HD2 1.800 . 5.000 3.084 1.879 5.002 0.002 7 0 "[ . 1 . 2]" 1
190 1 44 TRP HD1 1 59 ALA MB 1.800 . 5.000 3.684 2.978 4.264 . 0 0 "[ . 1 . 2]" 1
191 1 44 TRP HE1 1 56 HIS HA 1.800 . 5.000 4.078 3.254 4.862 . 0 0 "[ . 1 . 2]" 1
192 1 44 TRP HE1 1 56 HIS QB 1.800 . 5.000 3.487 2.520 4.447 . 0 0 "[ . 1 . 2]" 1
193 1 44 TRP HE1 1 59 ALA MB 1.800 . 5.000 3.395 2.648 4.291 . 0 0 "[ . 1 . 2]" 1
194 1 44 TRP HE1 1 60 VAL MG2 1.800 . 5.000 3.334 2.632 3.855 . 0 0 "[ . 1 . 2]" 1
195 1 44 TRP HE3 1 46 VAL HB 1.800 . 5.000 3.837 2.974 5.002 0.002 7 0 "[ . 1 . 2]" 1
196 1 44 TRP HH2 1 119 ALA MB 1.800 . 5.000 3.404 2.759 4.066 . 0 0 "[ . 1 . 2]" 1
197 1 44 TRP HH2 1 52 LEU MD1 1.800 . 5.000 2.599 2.248 3.058 . 0 0 "[ . 1 . 2]" 1
198 1 44 TRP HH2 1 70 LEU MD1 1.800 . 5.000 3.621 2.565 4.550 . 0 0 "[ . 1 . 2]" 1
199 1 44 TRP H 1 44 TRP HB3 1.800 . 4.000 2.788 2.590 3.066 . 0 0 "[ . 1 . 2]" 1
200 1 44 TRP H 1 44 TRP HB2 1.800 . 4.000 2.972 2.625 3.386 . 0 0 "[ . 1 . 2]" 1
201 1 44 TRP HZ2 1 46 VAL MG2 1.800 . 5.000 3.152 2.729 3.596 . 0 0 "[ . 1 . 2]" 1
202 1 44 TRP HZ2 1 52 LEU MD1 1.800 . 5.000 2.859 2.061 3.687 . 0 0 "[ . 1 . 2]" 1
203 1 44 TRP HZ2 1 60 VAL MG2 1.800 . 5.000 3.058 2.382 3.680 . 0 0 "[ . 1 . 2]" 1
204 1 45 PRO HA 1 46 VAL H 1.800 . 3.500 2.528 2.132 2.974 . 0 0 "[ . 1 . 2]" 1
205 1 46 VAL HA 1 46 VAL MG1 1.800 . 4.000 2.403 2.353 2.471 . 0 0 "[ . 1 . 2]" 1
206 1 46 VAL HA 1 46 VAL MG2 1.800 . 4.000 2.399 2.337 2.461 . 0 0 "[ . 1 . 2]" 1
207 1 46 VAL MG1 1 121 ILE MD 1.800 . 4.000 2.839 2.083 3.667 . 0 0 "[ . 1 . 2]" 1
208 1 46 VAL MG1 1 121 ILE MG 1.800 . 5.000 3.634 2.810 4.541 . 0 0 "[ . 1 . 2]" 1
209 1 46 VAL MG1 1 48 SER H 1.800 . 5.000 3.261 2.589 4.875 . 0 0 "[ . 1 . 2]" 1
210 1 46 VAL MG1 1 52 LEU HA 1.800 . 5.000 2.991 2.199 4.185 . 0 0 "[ . 1 . 2]" 1
211 1 46 VAL MG1 1 52 LEU MD1 1.800 . 4.000 2.469 1.800 3.743 . 0 0 "[ . 1 . 2]" 1
212 1 46 VAL MG2 1 52 LEU MD1 1.800 . 4.000 2.760 2.035 3.988 . 0 0 "[ . 1 . 2]" 1
213 1 46 VAL MG2 1 56 HIS QB 1.800 . 5.000 2.677 1.958 4.645 . 0 0 "[ . 1 . 2]" 1
214 1 46 VAL H 1 46 VAL HB 1.800 . 3.000 2.752 2.527 2.914 . 0 0 "[ . 1 . 2]" 1
215 1 46 VAL H 1 46 VAL MG1 1.800 . 5.000 3.893 3.788 3.961 . 0 0 "[ . 1 . 2]" 1
216 1 46 VAL H 1 46 VAL MG2 1.800 . 3.500 2.838 2.226 3.039 . 0 0 "[ . 1 . 2]" 1
217 1 47 PRO QD 1 48 SER H 1.800 . 5.000 3.383 1.937 4.914 . 0 0 "[ . 1 . 2]" 1
218 1 47 PRO QG 1 48 SER H 1.800 . 5.000 3.962 2.167 4.999 . 0 0 "[ . 1 . 2]" 1
219 1 48 SER HA 1 121 ILE MG 1.800 . 5.000 2.730 1.795 4.020 0.005 19 0 "[ . 1 . 2]" 1
220 1 49 LEU HA 1 121 ILE MD 1.800 . 5.000 3.644 2.787 4.567 . 0 0 "[ . 1 . 2]" 1
221 1 49 LEU HA 1 49 LEU MD2 1.800 . 4.000 2.956 1.945 4.007 0.007 1 0 "[ . 1 . 2]" 1
222 1 49 LEU HA 1 52 LEU H 1.800 . 5.000 3.636 2.965 4.056 . 0 0 "[ . 1 . 2]" 1
223 1 49 LEU MD1 1 121 ILE MD 1.800 . 5.000 3.543 1.973 5.006 0.006 15 0 "[ . 1 . 2]" 1
224 1 49 LEU MD1 1 52 LEU MD2 1.800 . 5.000 3.083 1.981 4.418 . 0 0 "[ . 1 . 2]" 1
225 1 49 LEU MD1 1 72 THR MG 1.800 . 5.000 3.010 1.950 4.373 . 0 0 "[ . 1 . 2]" 1
226 1 49 LEU MD1 1 79 PRO HA 1.800 . 5.000 3.444 1.955 5.001 0.001 7 0 "[ . 1 . 2]" 1
227 1 49 LEU MD2 1 121 ILE MD 1.800 . 5.000 3.231 1.804 4.936 . 0 0 "[ . 1 . 2]" 1
228 1 49 LEU MD2 1 72 THR HB 1.800 . 5.000 4.027 2.858 5.004 0.004 8 0 "[ . 1 . 2]" 1
229 1 49 LEU MD2 1 72 THR MG 1.800 . 4.000 2.449 1.797 3.869 0.003 18 0 "[ . 1 . 2]" 1
230 1 49 LEU MD2 1 77 GLN QB 1.800 . 5.000 2.776 1.799 4.295 0.001 1 0 "[ . 1 . 2]" 1
231 1 49 LEU MD2 1 79 PRO HA 1.800 . 5.000 3.432 1.989 5.000 . 0 0 "[ . 1 . 2]" 1
232 1 49 LEU H 1 121 ILE MG 1.800 . 5.000 3.912 2.611 4.552 . 0 0 "[ . 1 . 2]" 1
233 1 49 LEU H 1 49 LEU HB3 1.800 . 4.000 3.177 2.455 4.016 0.016 4 0 "[ . 1 . 2]" 1
234 1 49 LEU H 1 49 LEU HB2 1.800 . 4.000 2.685 2.295 3.627 . 0 0 "[ . 1 . 2]" 1
235 1 49 LEU H 1 49 LEU MD2 1.800 . 5.000 3.666 2.109 4.751 . 0 0 "[ . 1 . 2]" 1
236 1 50 GLY H 1 51 GLN H 1.800 . 5.000 2.801 1.797 4.508 0.003 2 0 "[ . 1 . 2]" 1
237 1 51 GLN H 1 51 GLN HG3 1.800 . 5.000 3.536 1.953 4.704 . 0 0 "[ . 1 . 2]" 1
238 1 51 GLN H 1 51 GLN HG2 1.800 . 5.000 3.814 2.366 4.940 . 0 0 "[ . 1 . 2]" 1
239 1 51 GLN H 1 52 LEU H 1.800 . 3.500 2.450 2.204 2.720 . 0 0 "[ . 1 . 2]" 1
240 1 52 LEU HA 1 52 LEU MD1 1.800 . 3.200 2.012 1.868 2.065 . 0 0 "[ . 1 . 2]" 1
241 1 52 LEU HA 1 53 GLN H 1.800 . 2.700 2.211 2.072 2.710 0.010 19 0 "[ . 1 . 2]" 1
242 1 52 LEU MD1 1 53 GLN H 1.800 . 5.000 3.050 2.415 4.158 . 0 0 "[ . 1 . 2]" 1
243 1 52 LEU MD1 1 56 HIS HB3 1.800 . 5.000 3.815 2.608 5.009 0.009 19 0 "[ . 1 . 2]" 1
244 1 52 LEU MD1 1 56 HIS HB2 1.800 . 5.000 3.814 2.602 5.009 0.009 7 0 "[ . 1 . 2]" 1
245 1 52 LEU MD2 1 121 ILE MD 1.800 . 5.000 3.105 2.255 4.455 . 0 0 "[ . 1 . 2]" 1
246 1 52 LEU MD2 1 70 LEU MD1 1.800 . 5.000 3.122 2.653 4.147 . 0 0 "[ . 1 . 2]" 1
247 1 52 LEU MD2 1 70 LEU MD2 1.800 . 5.000 2.903 2.304 4.095 . 0 0 "[ . 1 . 2]" 1
248 1 52 LEU MD2 1 79 PRO QB 1.800 . 5.000 2.468 1.797 3.551 0.003 1 0 "[ . 1 . 2]" 1
249 1 52 LEU MD2 1 83 VAL MG1 1.800 . 5.000 3.020 2.091 4.238 . 0 0 "[ . 1 . 2]" 1
250 1 52 LEU MD2 1 83 VAL MG2 1.800 . 5.000 3.205 2.443 4.093 . 0 0 "[ . 1 . 2]" 1
251 1 52 LEU HG 1 83 VAL MG2 1.800 . 4.000 2.450 1.821 3.407 . 0 0 "[ . 1 . 2]" 1
252 1 52 LEU H 1 52 LEU HB3 1.800 . 4.000 2.621 2.454 3.646 . 0 0 "[ . 1 . 2]" 1
253 1 52 LEU H 1 52 LEU HB2 1.800 . 4.000 2.681 2.476 3.121 . 0 0 "[ . 1 . 2]" 1
254 1 53 GLN HA 1 54 PRO HD3 1.800 . 4.000 2.160 1.985 2.765 . 0 0 "[ . 1 . 2]" 1
255 1 53 GLN HA 1 54 PRO HD2 1.800 . 4.000 2.786 2.358 3.054 . 0 0 "[ . 1 . 2]" 1
256 1 53 GLN HA 1 83 VAL MG2 1.800 . 5.000 2.686 1.803 4.637 . 0 0 "[ . 1 . 2]" 1
257 1 53 GLN QB 1 54 PRO HD3 1.800 . 5.000 3.216 2.799 4.033 . 0 0 "[ . 1 . 2]" 1
258 1 53 GLN QB 1 54 PRO HD2 1.800 . 5.000 2.356 1.798 3.589 0.002 18 0 "[ . 1 . 2]" 1
259 1 53 GLN QB 1 55 ALA H 1.800 . 5.000 2.767 2.360 3.495 . 0 0 "[ . 1 . 2]" 1
260 1 53 GLN QB 1 56 HIS H 1.800 . 5.000 3.157 2.460 4.268 . 0 0 "[ . 1 . 2]" 1
261 1 53 GLN H 1 53 GLN QG 1.800 . 5.000 2.930 2.030 4.156 . 0 0 "[ . 1 . 2]" 1
262 1 54 PRO HA 1 83 VAL HA 1.800 . 5.000 4.099 3.291 4.989 . 0 0 "[ . 1 . 2]" 1
263 1 54 PRO HA 1 83 VAL MG2 1.800 . 5.000 3.554 2.596 4.482 . 0 0 "[ . 1 . 2]" 1
264 1 54 PRO HB3 1 55 ALA H 1.800 . 5.000 4.086 3.832 4.421 . 0 0 "[ . 1 . 2]" 1
265 1 54 PRO HB2 1 55 ALA H 1.800 . 5.000 2.838 2.448 3.772 . 0 0 "[ . 1 . 2]" 1
266 1 54 PRO QB 1 86 ALA MB 1.800 . 5.000 3.214 2.373 4.289 . 0 0 "[ . 1 . 2]" 1
267 1 54 PRO HD3 1 83 VAL MG2 1.800 . 5.000 2.359 1.803 3.240 . 0 0 "[ . 1 . 2]" 1
268 1 54 PRO HD2 1 83 VAL MG2 1.800 . 5.000 3.758 3.083 4.516 . 0 0 "[ . 1 . 2]" 1
269 1 54 PRO QD 1 55 ALA H 1.800 . 5.000 2.866 2.659 3.189 . 0 0 "[ . 1 . 2]" 1
270 1 54 PRO QD 1 83 VAL MG2 1.800 . 5.000 2.331 1.794 3.171 0.006 14 0 "[ . 1 . 2]" 1
271 1 54 PRO HG3 1 83 VAL HA 1.800 . 5.000 2.873 1.993 3.678 . 0 0 "[ . 1 . 2]" 1
272 1 54 PRO HG2 1 83 VAL HA 1.800 . 5.000 4.437 3.063 5.005 0.005 14 0 "[ . 1 . 2]" 1
273 1 54 PRO QG 1 82 ASP QB 1.800 . 5.000 2.913 1.934 4.495 . 0 0 "[ . 1 . 2]" 1
274 1 54 PRO QG 1 83 VAL H 1.800 . 5.000 4.098 3.396 4.864 . 0 0 "[ . 1 . 2]" 1
275 1 55 ALA HA 1 58 ASP H 1.800 . 5.000 3.867 3.296 4.412 . 0 0 "[ . 1 . 2]" 1
276 1 55 ALA H 1 56 HIS H 1.800 . 3.500 2.640 2.419 2.911 . 0 0 "[ . 1 . 2]" 1
277 1 56 HIS H 1 57 MET H 1.800 . 3.500 2.142 1.837 2.598 . 0 0 "[ . 1 . 2]" 1
278 1 57 MET HA 1 57 MET ME 1.800 . 5.000 4.156 2.949 4.646 . 0 0 "[ . 1 . 2]" 1
279 1 57 MET HA 1 60 VAL MG2 1.800 . 5.000 2.649 2.237 3.056 . 0 0 "[ . 1 . 2]" 1
280 1 57 MET HA 1 60 VAL H 1.800 . 5.000 3.362 3.124 3.557 . 0 0 "[ . 1 . 2]" 1
281 1 57 MET ME 1 119 ALA MB 1.800 . 5.000 3.901 3.094 4.999 . 0 0 "[ . 1 . 2]" 1
282 1 57 MET ME 1 60 VAL MG1 1.800 . 5.000 2.829 2.166 4.371 . 0 0 "[ . 1 . 2]" 1
283 1 57 MET ME 1 60 VAL MG2 1.800 . 5.000 3.190 2.171 4.089 . 0 0 "[ . 1 . 2]" 1
284 1 57 MET ME 1 68 ILE MD 1.800 . 5.000 2.481 1.889 3.581 . 0 0 "[ . 1 . 2]" 1
285 1 57 MET ME 1 68 ILE MG 1.800 . 5.000 2.746 2.146 4.407 . 0 0 "[ . 1 . 2]" 1
286 1 57 MET ME 1 70 LEU MD1 1.800 . 5.000 4.013 2.931 5.010 0.010 4 0 "[ . 1 . 2]" 1
287 1 57 MET ME 1 83 VAL MG1 1.800 . 5.000 2.992 1.970 3.800 . 0 0 "[ . 1 . 2]" 1
288 1 57 MET ME 1 94 LEU MD1 1.800 . 5.000 2.826 2.218 3.878 . 0 0 "[ . 1 . 2]" 1
289 1 57 MET ME 1 94 LEU MD2 1.800 . 5.000 3.200 1.851 4.113 . 0 0 "[ . 1 . 2]" 1
290 1 57 MET ME 1 57 MET QG 1.800 . 5.000 2.273 2.227 2.454 . 0 0 "[ . 1 . 2]" 1
291 1 57 MET QG 1 83 VAL MG1 1.800 . 5.000 3.166 1.798 4.856 0.002 10 0 "[ . 1 . 2]" 1
292 1 57 MET H 1 57 MET QG 1.800 . 5.000 3.887 2.435 4.082 . 0 0 "[ . 1 . 2]" 1
293 1 57 MET H 1 58 ASP H 1.800 . 3.500 2.347 2.179 2.525 . 0 0 "[ . 1 . 2]" 1
294 1 58 ASP HA 1 61 LEU HB3 1.800 . 5.000 4.227 3.655 4.714 . 0 0 "[ . 1 . 2]" 1
295 1 58 ASP HA 1 61 LEU MD1 1.800 . 5.000 2.387 1.800 2.789 . 0 0 "[ . 1 . 2]" 1
296 1 58 ASP HA 1 61 LEU H 1.800 . 5.000 3.313 2.888 3.541 . 0 0 "[ . 1 . 2]" 1
297 1 58 ASP HB3 1 59 ALA H 1.800 . 5.000 2.726 2.437 3.929 . 0 0 "[ . 1 . 2]" 1
298 1 58 ASP HB2 1 59 ALA H 1.800 . 5.000 3.919 3.806 4.130 . 0 0 "[ . 1 . 2]" 1
299 1 58 ASP H 1 58 ASP HB3 1.800 . 3.500 2.524 2.381 2.707 . 0 0 "[ . 1 . 2]" 1
300 1 58 ASP H 1 58 ASP HB2 1.800 . 3.500 2.555 2.335 3.523 0.023 7 0 "[ . 1 . 2]" 1
301 1 59 ALA HA 1 62 ALA MB 1.800 . 5.000 2.626 2.342 2.922 . 0 0 "[ . 1 . 2]" 1
302 1 59 ALA MB 1 60 VAL MG2 1.800 . 5.000 2.995 2.840 3.170 . 0 0 "[ . 1 . 2]" 1
303 1 59 ALA H 1 60 VAL H 1.800 . 3.500 2.717 2.622 2.794 . 0 0 "[ . 1 . 2]" 1
304 1 60 VAL HA 1 60 VAL MG1 1.800 . 4.000 2.339 2.300 2.367 . 0 0 "[ . 1 . 2]" 1
305 1 60 VAL HA 1 60 VAL MG2 1.800 . 4.000 2.471 2.439 2.524 . 0 0 "[ . 1 . 2]" 1
306 1 60 VAL HA 1 63 LEU MD1 1.800 . 5.000 2.654 2.106 5.005 0.005 20 0 "[ . 1 . 2]" 1
307 1 60 VAL HB 1 61 LEU H 1.800 . 5.000 2.590 2.516 2.697 . 0 0 "[ . 1 . 2]" 1
308 1 60 VAL MG1 1 117 ALA MB 1.800 . 5.000 2.630 2.204 3.217 . 0 0 "[ . 1 . 2]" 1
309 1 60 VAL MG1 1 65 PRO QG 1.800 . 5.000 2.469 1.800 3.076 . 0 0 "[ . 1 . 2]" 1
310 1 60 VAL MG1 1 68 ILE MD 1.800 . 5.000 2.237 1.915 3.120 . 0 0 "[ . 1 . 2]" 1
311 1 60 VAL MG1 1 68 ILE QG 1.800 . 5.000 3.067 2.397 3.806 . 0 0 "[ . 1 . 2]" 1
312 1 60 VAL MG1 1 68 ILE MG 1.800 . 5.000 2.945 2.543 4.130 . 0 0 "[ . 1 . 2]" 1
313 1 60 VAL H 1 60 VAL HB 1.800 . 4.000 2.634 2.597 2.695 . 0 0 "[ . 1 . 2]" 1
314 1 60 VAL H 1 60 VAL MG2 1.800 . 4.000 1.938 1.846 1.996 . 0 0 "[ . 1 . 2]" 1
315 1 60 VAL H 1 61 LEU H 1.800 . 3.500 2.552 2.483 2.663 . 0 0 "[ . 1 . 2]" 1
316 1 61 LEU HA 1 61 LEU MD2 1.800 . 3.200 2.040 1.998 2.089 . 0 0 "[ . 1 . 2]" 1
317 1 61 LEU HA 1 63 LEU H 1.800 . 5.000 4.188 3.948 4.529 . 0 0 "[ . 1 . 2]" 1
318 1 61 LEU QB 1 61 LEU MD2 1.800 . 5.000 2.316 2.289 2.337 . 0 0 "[ . 1 . 2]" 1
319 1 61 LEU MD1 1 86 ALA MB 1.800 . 5.000 2.472 1.800 3.365 . 4 0 "[ . 1 . 2]" 1
320 1 61 LEU MD2 1 68 ILE MD 1.800 . 5.000 3.091 2.206 4.663 . 0 0 "[ . 1 . 2]" 1
321 1 61 LEU MD2 1 87 CYS HA 1.800 . 5.000 3.365 2.008 4.570 . 0 0 "[ . 1 . 2]" 1
322 1 61 LEU MD2 1 90 ARG QD 1.800 . 5.000 3.307 1.891 4.735 . 0 0 "[ . 1 . 2]" 1
323 1 61 LEU MD2 1 92 ILE MD 1.800 . 5.000 2.804 1.980 4.134 . 0 0 "[ . 1 . 2]" 1
324 1 61 LEU H 1 61 LEU MD1 1.800 . 5.000 3.604 3.546 3.642 . 0 0 "[ . 1 . 2]" 1
325 1 61 LEU H 1 61 LEU MD2 1.800 . 5.000 3.247 3.127 3.341 . 0 0 "[ . 1 . 2]" 1
326 1 61 LEU H 1 61 LEU HG 1.800 . 4.000 2.226 2.107 2.317 . 0 0 "[ . 1 . 2]" 1
327 1 61 LEU H 1 62 ALA H 1.800 . 3.500 2.558 2.417 2.691 . 0 0 "[ . 1 . 2]" 1
328 1 62 ALA H 1 63 LEU H 1.800 . 3.500 2.556 2.321 2.631 . 0 0 "[ . 1 . 2]" 1
329 1 63 LEU HA 1 63 LEU MD2 1.800 . 3.200 2.079 1.964 2.947 . 0 0 "[ . 1 . 2]" 1
330 1 63 LEU QB 1 63 LEU MD1 1.800 . 5.000 2.106 2.075 2.304 . 0 0 "[ . 1 . 2]" 1
331 1 63 LEU QB 1 63 LEU MD2 1.800 . 5.000 2.311 2.222 2.328 . 0 0 "[ . 1 . 2]" 1
332 1 63 LEU H 1 63 LEU MD2 1.800 . 5.000 3.338 2.463 4.310 . 0 0 "[ . 1 . 2]" 1
333 1 63 LEU H 1 63 LEU HG 1.800 . 5.000 2.517 2.204 4.300 . 0 0 "[ . 1 . 2]" 1
334 1 63 LEU H 1 64 ASN H 1.800 . 3.500 2.521 2.423 2.633 . 0 0 "[ . 1 . 2]" 1
335 1 64 ASN HA 1 65 PRO HD3 1.800 . 5.000 2.437 2.148 2.848 . 0 0 "[ . 1 . 2]" 1
336 1 64 ASN HA 1 65 PRO HD2 1.800 . 5.000 2.490 2.103 2.756 . 0 0 "[ . 1 . 2]" 1
337 1 64 ASN HA 1 92 ILE MD 1.800 . 5.000 3.597 2.334 5.000 . 0 0 "[ . 1 . 2]" 1
338 1 64 ASN H 1 65 PRO HD3 1.800 . 5.000 2.437 2.061 2.868 . 0 0 "[ . 1 . 2]" 1
339 1 64 ASN H 1 65 PRO HD2 1.800 . 5.000 3.684 3.226 4.228 . 0 0 "[ . 1 . 2]" 1
340 1 65 PRO HA 1 66 ALA H 1.800 . 3.500 2.375 2.179 2.548 . 0 0 "[ . 1 . 2]" 1
341 1 65 PRO HA 1 67 VAL H 1.800 . 5.000 4.178 3.604 4.537 . 0 0 "[ . 1 . 2]" 1
342 1 65 PRO QB 1 117 ALA MB 1.800 . 5.000 2.261 1.805 2.617 . 0 0 "[ . 1 . 2]" 1
343 1 65 PRO QB 1 66 ALA H 1.800 . 4.500 2.705 2.226 3.474 . 0 0 "[ . 1 . 2]" 1
344 1 65 PRO QD 1 92 ILE MD 1.800 . 5.000 2.375 1.798 3.390 0.002 17 0 "[ . 1 . 2]" 1
345 1 65 PRO QG 1 117 ALA MB 1.800 . 5.000 2.600 1.961 3.969 . 0 0 "[ . 1 . 2]" 1
346 1 65 PRO QG 1 66 ALA H 1.800 . 5.000 4.340 3.843 4.820 . 0 0 "[ . 1 . 2]" 1
347 1 65 PRO QG 1 92 ILE MG 1.800 . 5.000 2.780 2.087 3.510 . 0 0 "[ . 1 . 2]" 1
348 1 66 ALA HA 1 92 ILE MD 1.800 . 5.000 4.481 2.653 5.002 0.002 4 0 "[ . 1 . 2]" 1
349 1 66 ALA MB 1 67 VAL MG1 1.800 . 5.000 2.833 2.722 2.933 . 0 0 "[ . 1 . 2]" 1
350 1 66 ALA MB 1 115 ARG H 1.800 . 5.000 3.049 2.576 4.504 . 0 0 "[ . 1 . 2]" 1
351 1 66 ALA MB 1 115 ARG QB 1.800 . 5.000 2.558 1.939 3.167 . 0 0 "[ . 1 . 2]" 1
352 1 66 ALA H 1 67 VAL H 1.800 . 3.500 2.251 2.000 2.487 . 0 0 "[ . 1 . 2]" 1
353 1 67 VAL HA 1 67 VAL HB 1.800 . 2.500 2.430 2.405 2.455 . 0 0 "[ . 1 . 2]" 1
354 1 67 VAL HA 1 67 VAL MG2 1.800 . 3.000 2.407 2.385 2.445 . 0 0 "[ . 1 . 2]" 1
355 1 67 VAL HA 1 68 ILE H 1.800 . 2.700 2.231 2.135 2.350 . 0 0 "[ . 1 . 2]" 1
356 1 67 VAL HA 1 92 ILE MG 1.800 . 5.000 2.758 2.142 3.608 . 0 0 "[ . 1 . 2]" 1
357 1 67 VAL HA 1 93 GLY H 1.800 . 5.000 2.867 2.430 3.512 . 0 0 "[ . 1 . 2]" 1
358 1 67 VAL MG1 1 109 LEU MD1 1.800 . 5.000 2.064 1.801 2.764 . 0 0 "[ . 1 . 2]" 1
359 1 67 VAL MG1 1 114 ARG QG 1.800 . 5.000 3.836 2.162 4.963 . 0 0 "[ . 1 . 2]" 1
360 1 67 VAL MG1 1 116 VAL HA 1.800 . 5.000 2.211 2.017 2.470 . 0 0 "[ . 1 . 2]" 1
361 1 67 VAL MG1 1 116 VAL HB 1.800 . 5.000 2.244 1.851 2.562 . 0 0 "[ . 1 . 2]" 1
362 1 67 VAL MG1 1 116 VAL MG2 1.800 . 5.000 2.006 1.844 2.236 . 0 0 "[ . 1 . 2]" 1
363 1 67 VAL MG1 1 117 ALA H 1.800 . 5.000 3.419 3.171 3.774 . 0 0 "[ . 1 . 2]" 1
364 1 67 VAL MG2 1 68 ILE H 1.800 . 4.000 2.383 2.110 2.665 . 0 0 "[ . 1 . 2]" 1
365 1 67 VAL H 1 116 VAL HA 1.800 . 5.000 2.769 2.533 3.017 . 0 0 "[ . 1 . 2]" 1
366 1 67 VAL H 1 67 VAL MG1 1.800 . 4.000 2.328 2.141 2.492 . 0 0 "[ . 1 . 2]" 1
367 1 67 VAL H 1 67 VAL MG2 1.800 . 5.000 3.939 3.872 3.992 . 0 0 "[ . 1 . 2]" 1
368 1 68 ILE HA 1 117 ALA MB 1.800 . 5.000 2.559 2.252 2.896 . 0 0 "[ . 1 . 2]" 1
369 1 68 ILE HA 1 117 ALA H 1.800 . 5.000 2.516 2.308 2.775 . 0 0 "[ . 1 . 2]" 1
370 1 68 ILE HA 1 68 ILE MG 1.800 . 3.200 2.454 2.337 3.205 0.005 7 0 "[ . 1 . 2]" 1
371 1 68 ILE HA 1 69 LEU H 1.800 . 2.700 2.136 2.101 2.159 . 0 0 "[ . 1 . 2]" 1
372 1 68 ILE HB 1 94 LEU HA 1.800 . 5.000 2.801 2.285 4.970 . 0 0 "[ . 1 . 2]" 1
373 1 68 ILE HB 1 94 LEU MD1 1.800 . 5.000 2.444 2.138 4.268 . 0 0 "[ . 1 . 2]" 1
374 1 68 ILE MD 1 94 LEU MD1 1.800 . 5.000 2.845 2.530 3.237 . 0 0 "[ . 1 . 2]" 1
375 1 68 ILE HG13 1 68 ILE MG 1.800 . 5.000 3.172 2.587 3.208 . 0 0 "[ . 1 . 2]" 1
376 1 68 ILE HG12 1 68 ILE MG 1.800 . 5.000 2.368 2.188 2.399 . 0 0 "[ . 1 . 2]" 1
377 1 68 ILE MG 1 117 ALA MB 1.800 . 5.000 2.522 2.002 4.028 . 0 0 "[ . 1 . 2]" 1
378 1 68 ILE MG 1 69 LEU H 1.800 . 5.000 2.877 2.568 4.127 . 0 0 "[ . 1 . 2]" 1
379 1 68 ILE MG 1 94 LEU HA 1.800 . 5.000 3.611 1.809 4.341 . 0 0 "[ . 1 . 2]" 1
380 1 68 ILE MG 1 94 LEU MD1 1.800 . 5.000 2.291 1.904 2.960 . 0 0 "[ . 1 . 2]" 1
381 1 68 ILE H 1 68 ILE HB 1.800 . 3.500 2.734 2.563 3.319 . 0 0 "[ . 1 . 2]" 1
382 1 68 ILE H 1 68 ILE HG13 1.800 . 5.000 2.982 2.462 4.723 . 0 0 "[ . 1 . 2]" 1
383 1 68 ILE H 1 68 ILE HG12 1.800 . 5.000 3.955 3.674 4.420 . 0 0 "[ . 1 . 2]" 1
384 1 68 ILE H 1 92 ILE MG 1.800 . 5.000 3.023 2.606 3.369 . 0 0 "[ . 1 . 2]" 1
385 1 68 ILE H 1 94 LEU HA 1.800 . 5.000 3.111 2.917 3.529 . 0 0 "[ . 1 . 2]" 1
386 1 69 LEU HA 1 69 LEU MD2 1.800 . 3.200 2.057 1.958 2.479 . 0 0 "[ . 1 . 2]" 1
387 1 69 LEU HA 1 70 LEU H 1.800 . 2.700 2.138 2.117 2.179 . 0 0 "[ . 1 . 2]" 1
388 1 69 LEU HA 1 95 GLU H 1.800 . 5.000 3.028 2.673 3.341 . 0 0 "[ . 1 . 2]" 1
389 1 69 LEU MD1 1 105 THR HB 1.800 . 5.000 2.374 1.800 4.499 0.000 15 0 "[ . 1 . 2]" 1
390 1 69 LEU MD1 1 105 THR MG 1.800 . 4.000 2.554 2.103 3.867 . 0 0 "[ . 1 . 2]" 1
391 1 69 LEU MD1 1 106 TYR HA 1.800 . 5.000 2.597 2.103 3.890 . 0 0 "[ . 1 . 2]" 1
392 1 69 LEU MD1 1 106 TYR H 1.800 . 5.000 2.979 2.682 4.070 . 0 0 "[ . 1 . 2]" 1
393 1 69 LEU MD1 1 109 LEU MD1 1.800 . 5.000 2.039 1.798 2.634 0.002 7 0 "[ . 1 . 2]" 1
394 1 69 LEU MD1 1 118 LEU MD1 1.800 . 5.000 2.411 2.012 2.866 . 0 0 "[ . 1 . 2]" 1
395 1 69 LEU MD2 1 105 THR MG 1.800 . 4.000 2.692 2.182 3.930 . 0 0 "[ . 1 . 2]" 1
396 1 69 LEU MD2 1 70 LEU H 1.800 . 5.000 3.513 2.384 3.752 . 0 0 "[ . 1 . 2]" 1
397 1 69 LEU MD2 1 95 GLU HB3 1.800 . 5.000 3.008 1.810 3.612 . 0 0 "[ . 1 . 2]" 1
398 1 69 LEU MD2 1 95 GLU QB 1.800 . 5.000 2.038 1.797 3.079 0.003 13 0 "[ . 1 . 2]" 1
399 1 69 LEU MD2 1 95 GLU HB2 1.800 . 5.000 2.294 1.811 4.552 . 0 0 "[ . 1 . 2]" 1
400 1 69 LEU MD2 1 95 GLU QG 1.800 . 5.000 2.820 2.409 4.473 . 0 0 "[ . 1 . 2]" 1
401 1 69 LEU MD2 1 97 MET ME 1.800 . 5.000 2.748 1.796 4.408 0.004 6 0 "[ . 1 . 2]" 1
402 1 69 LEU HG 1 116 VAL MG2 1.800 . 5.000 2.507 1.795 4.239 0.005 6 0 "[ . 1 . 2]" 1
403 1 69 LEU HG 1 95 GLU QB 1.800 . 5.000 4.060 2.044 4.788 . 0 0 "[ . 1 . 2]" 1
404 1 69 LEU HG 1 95 GLU QG 1.800 . 5.000 4.691 2.391 5.006 0.006 12 0 "[ . 1 . 2]" 1
405 1 69 LEU H 1 117 ALA MB 1.800 . 5.000 3.689 3.352 4.031 . 0 0 "[ . 1 . 2]" 1
406 1 69 LEU H 1 118 LEU HA 1.800 . 5.000 2.985 2.797 3.262 . 0 0 "[ . 1 . 2]" 1
407 1 69 LEU H 1 69 LEU HG 1.800 . 5.000 2.996 2.642 4.493 . 0 0 "[ . 1 . 2]" 1
408 1 70 LEU HA 1 119 ALA MB 1.800 . 5.000 2.446 1.985 3.143 . 0 0 "[ . 1 . 2]" 1
409 1 70 LEU HA 1 119 ALA H 1.800 . 5.000 3.407 3.175 3.726 . 0 0 "[ . 1 . 2]" 1
410 1 70 LEU HA 1 70 LEU MD1 1.800 . 3.200 2.084 1.882 2.560 . 0 0 "[ . 1 . 2]" 1
411 1 70 LEU HA 1 71 GLY H 1.800 . 2.700 2.152 2.121 2.213 . 0 0 "[ . 1 . 2]" 1
412 1 70 LEU HB3 1 96 ALA HA 1.800 . 5.000 2.190 1.799 3.765 0.001 5 0 "[ . 1 . 2]" 1
413 1 70 LEU HB2 1 70 LEU MD2 1.800 . 4.000 2.393 2.340 2.418 . 0 0 "[ . 1 . 2]" 1
414 1 70 LEU HB2 1 96 ALA HA 1.800 . 5.000 3.543 1.966 4.008 . 0 0 "[ . 1 . 2]" 1
415 1 70 LEU QB 1 72 THR MG 1.800 . 5.000 3.708 2.351 4.633 . 0 0 "[ . 1 . 2]" 1
416 1 70 LEU MD1 1 119 ALA MB 1.800 . 5.000 2.289 1.805 3.367 . 0 0 "[ . 1 . 2]" 1
417 1 70 LEU MD1 1 121 ILE MD 1.800 . 5.000 2.197 1.892 3.022 . 0 0 "[ . 1 . 2]" 1
418 1 70 LEU MD1 1 121 ILE QG 1.800 . 5.000 2.773 2.450 3.233 . 0 0 "[ . 1 . 2]" 1
419 1 70 LEU MD1 1 71 GLY H 1.800 . 4.000 2.837 2.366 3.445 . 0 0 "[ . 1 . 2]" 1
420 1 70 LEU MD2 1 72 THR MG 1.800 . 5.000 3.102 2.326 4.999 . 0 0 "[ . 1 . 2]" 1
421 1 70 LEU MD2 1 96 ALA MB 1.800 . 5.000 2.928 2.237 4.760 . 0 0 "[ . 1 . 2]" 1
422 1 70 LEU HG 1 72 THR MG 1.800 . 5.000 2.682 1.830 4.682 . 0 0 "[ . 1 . 2]" 1
423 1 70 LEU H 1 70 LEU HB3 1.800 . 3.500 2.642 2.445 3.515 0.015 3 0 "[ . 1 . 2]" 1
424 1 70 LEU H 1 70 LEU HB2 1.800 . 3.500 2.719 2.270 2.971 . 0 0 "[ . 1 . 2]" 1
425 1 70 LEU H 1 95 GLU H 1.800 . 5.000 3.554 3.290 3.772 . 0 0 "[ . 1 . 2]" 1
426 1 70 LEU H 1 96 ALA HA 1.800 . 5.000 3.075 2.777 3.564 . 0 0 "[ . 1 . 2]" 1
427 1 71 GLY HA3 1 72 THR H 1.800 . 3.500 3.375 3.174 3.497 . 0 0 "[ . 1 . 2]" 1
428 1 71 GLY HA2 1 72 THR H 1.800 . 3.500 2.188 2.134 2.281 . 0 0 "[ . 1 . 2]" 1
429 1 71 GLY QA 1 102 ALA MB 1.800 . 5.000 2.657 2.436 3.124 . 0 0 "[ . 1 . 2]" 1
430 1 71 GLY H 1 119 ALA H 1.800 . 5.000 4.118 3.755 4.490 . 0 0 "[ . 1 . 2]" 1
431 1 71 GLY H 1 120 MET HA 1.800 . 5.000 2.924 2.139 3.539 . 0 0 "[ . 1 . 2]" 1
432 1 72 THR HA 1 121 ILE MD 1.800 . 5.000 3.294 2.125 4.159 . 0 0 "[ . 1 . 2]" 1
433 1 72 THR HA 1 72 THR MG 1.800 . 4.000 2.274 2.200 2.338 . 0 0 "[ . 1 . 2]" 1
434 1 72 THR HA 1 121 ILE HB 1.800 . 5.000 2.367 1.814 3.183 . 0 0 "[ . 1 . 2]" 1
435 1 72 THR HB 1 77 GLN H 1.800 . 5.000 3.451 2.749 5.004 0.004 5 0 "[ . 1 . 2]" 1
436 1 72 THR MG 1 77 GLN H 1.800 . 5.000 2.846 1.804 4.693 . 0 0 "[ . 1 . 2]" 1
437 1 72 THR MG 1 97 MET H 1.800 . 5.000 4.267 3.550 5.010 0.010 6 0 "[ . 1 . 2]" 1
438 1 72 THR H 1 72 THR MG 1.800 . 4.000 2.720 2.427 3.760 . 0 0 "[ . 1 . 2]" 1
439 1 72 THR H 1 73 GLY H 1.800 . 4.000 3.496 2.785 3.917 . 0 0 "[ . 1 . 2]" 1
440 1 72 THR H 1 97 MET H 1.800 . 5.000 3.692 2.967 4.020 . 0 0 "[ . 1 . 2]" 1
441 1 72 THR H 1 98 THR HA 1.800 . 5.000 3.044 2.495 3.701 . 0 0 "[ . 1 . 2]" 1
442 1 73 GLY H 1 98 THR HA 1.800 . 5.000 4.501 3.727 5.002 0.002 3 0 "[ . 1 . 2]" 1
443 1 73 GLY H 1 99 ASN H 1.800 . 5.000 3.921 3.459 4.356 . 0 0 "[ . 1 . 2]" 1
444 1 74 GLU QB 1 75 ARG H 1.800 . 4.000 3.279 2.090 3.989 . 0 0 "[ . 1 . 2]" 1
445 1 75 ARG HA 1 76 GLN H 1.800 . 2.700 2.244 2.103 2.462 . 0 0 "[ . 1 . 2]" 1
446 1 75 ARG HA 1 98 THR MG 1.800 . 5.000 3.531 1.800 4.796 0.000 3 0 "[ . 1 . 2]" 1
447 1 75 ARG QB 1 75 ARG HD3 1.800 . 5.000 2.762 2.257 3.484 . 0 0 "[ . 1 . 2]" 1
448 1 75 ARG QB 1 75 ARG HD2 1.800 . 5.000 2.648 2.082 3.301 . 0 0 "[ . 1 . 2]" 1
449 1 75 ARG H 1 75 ARG HB3 1.800 . 4.000 3.396 2.604 4.015 0.015 2 0 "[ . 1 . 2]" 1
450 1 75 ARG H 1 75 ARG QG 1.800 . 5.000 3.336 2.165 4.266 . 0 0 "[ . 1 . 2]" 1
451 1 76 GLN HA 1 77 GLN H 1.800 . 2.700 2.145 2.075 2.207 . 0 0 "[ . 1 . 2]" 1
452 1 76 GLN HA 1 98 THR MG 1.800 . 5.000 3.611 2.527 4.364 . 0 0 "[ . 1 . 2]" 1
453 1 76 GLN QB 1 98 THR MG 1.800 . 5.000 3.118 1.832 4.704 . 0 0 "[ . 1 . 2]" 1
454 1 76 GLN QG 1 77 GLN H 1.800 . 4.000 3.450 2.948 4.022 0.022 12 0 "[ . 1 . 2]" 1
455 1 76 GLN QG 1 97 MET HA 1.800 . 5.000 3.325 1.796 4.804 0.004 12 0 "[ . 1 . 2]" 1
456 1 76 GLN QG 1 98 THR MG 1.800 . 5.000 3.800 2.544 4.593 . 0 0 "[ . 1 . 2]" 1
457 1 76 GLN H 1 76 GLN QG 1.800 . 5.000 3.681 2.017 4.045 . 0 0 "[ . 1 . 2]" 1
458 1 76 GLN H 1 98 THR MG 1.800 . 5.000 3.481 2.599 4.638 . 0 0 "[ . 1 . 2]" 1
459 1 77 GLN HA 1 78 PHE H 1.800 . 2.700 2.275 2.129 2.708 0.008 19 0 "[ . 1 . 2]" 1
460 1 78 PHE HA 1 79 PRO HD3 1.800 . 4.000 1.892 1.795 2.414 0.005 20 0 "[ . 1 . 2]" 1
461 1 78 PHE HA 1 79 PRO HD2 1.800 . 4.000 2.668 2.134 3.039 . 0 0 "[ . 1 . 2]" 1
462 1 78 PHE HA 1 96 ALA MB 1.800 . 5.000 3.469 2.671 4.580 . 0 0 "[ . 1 . 2]" 1
463 1 78 PHE H 1 78 PHE QB 1.800 . 3.500 2.581 2.327 3.164 . 0 0 "[ . 1 . 2]" 1
464 1 79 PRO HA 1 80 SER H 1.800 . 3.500 2.398 2.145 2.672 . 0 0 "[ . 1 . 2]" 1
465 1 79 PRO QB 1 80 SER H 1.800 . 4.500 2.636 2.206 3.255 . 0 0 "[ . 1 . 2]" 1
466 1 79 PRO QB 1 83 VAL MG1 1.800 . 5.000 3.092 2.404 3.958 . 0 0 "[ . 1 . 2]" 1
467 1 79 PRO QB 1 94 LEU MD2 1.800 . 5.000 3.451 2.038 4.731 . 0 0 "[ . 1 . 2]" 1
468 1 79 PRO HD3 1 96 ALA MB 1.800 . 5.000 3.022 2.242 3.944 . 0 0 "[ . 1 . 2]" 1
469 1 79 PRO HD2 1 96 ALA MB 1.800 . 5.000 3.867 2.980 4.654 . 0 0 "[ . 1 . 2]" 1
470 1 79 PRO QG 1 84 LEU MD1 1.800 . 5.000 4.133 2.642 5.002 0.002 1 0 "[ . 1 . 2]" 1
471 1 79 PRO QG 1 84 LEU MD2 1.800 . 5.000 2.865 1.984 4.621 . 0 0 "[ . 1 . 2]" 1
472 1 79 PRO QG 1 94 LEU MD2 1.800 . 5.000 2.581 1.884 3.680 . 0 0 "[ . 1 . 2]" 1
473 1 79 PRO QG 1 96 ALA MB 1.800 . 5.000 3.380 2.258 4.562 . 0 0 "[ . 1 . 2]" 1
474 1 80 SER HA 1 81 THR H 1.800 . 2.700 2.287 2.183 2.511 . 0 0 "[ . 1 . 2]" 1
475 1 80 SER QB 1 82 ASP H 1.800 . 5.000 2.907 2.534 3.393 . 0 0 "[ . 1 . 2]" 1
476 1 80 SER H 1 83 VAL HB 1.800 . 5.000 3.646 3.096 4.604 . 0 0 "[ . 1 . 2]" 1
477 1 80 SER H 1 83 VAL MG2 1.800 . 5.000 3.146 2.657 3.983 . 0 0 "[ . 1 . 2]" 1
478 1 81 THR HA 1 81 THR MG 1.800 . 4.000 2.448 2.171 3.223 . 0 0 "[ . 1 . 2]" 1
479 1 81 THR HA 1 84 LEU QB 1.800 . 4.500 2.591 2.058 3.128 . 0 0 "[ . 1 . 2]" 1
480 1 81 THR HA 1 84 LEU MD1 1.800 . 5.000 2.398 1.848 5.004 0.004 3 0 "[ . 1 . 2]" 1
481 1 81 THR HA 1 84 LEU H 1.800 . 5.000 3.234 3.053 3.525 . 0 0 "[ . 1 . 2]" 1
482 1 81 THR HB 1 82 ASP H 1.800 . 5.000 3.387 2.681 4.137 . 0 0 "[ . 1 . 2]" 1
483 1 81 THR H 1 81 THR HB 1.800 . 3.500 3.020 2.555 3.518 0.018 3 0 "[ . 1 . 2]" 1
484 1 81 THR H 1 81 THR MG 1.800 . 4.000 2.900 1.977 3.752 . 0 0 "[ . 1 . 2]" 1
485 1 81 THR H 1 82 ASP H 1.800 . 3.200 2.670 2.553 2.843 . 0 0 "[ . 1 . 2]" 1
486 1 82 ASP HA 1 85 ALA MB 1.800 . 5.000 3.120 2.501 3.904 . 0 0 "[ . 1 . 2]" 1
487 1 82 ASP HA 1 85 ALA H 1.800 . 5.000 3.758 3.174 4.322 . 0 0 "[ . 1 . 2]" 1
488 1 82 ASP H 1 82 ASP HB3 1.800 . 4.000 3.187 2.390 3.605 . 0 0 "[ . 1 . 2]" 1
489 1 82 ASP H 1 82 ASP HB2 1.800 . 4.000 2.632 2.376 3.613 . 0 0 "[ . 1 . 2]" 1
490 1 82 ASP H 1 83 VAL H 1.800 . 3.200 2.663 2.470 2.791 . 0 0 "[ . 1 . 2]" 1
491 1 83 VAL HA 1 83 VAL MG1 1.800 . 3.500 2.377 2.334 2.415 . 0 0 "[ . 1 . 2]" 1
492 1 83 VAL HA 1 83 VAL MG2 1.800 . 3.500 2.425 2.370 2.469 . 0 0 "[ . 1 . 2]" 1
493 1 83 VAL HA 1 86 ALA MB 1.800 . 5.000 2.996 2.556 3.599 . 0 0 "[ . 1 . 2]" 1
494 1 83 VAL HA 1 86 ALA H 1.800 . 5.000 3.555 3.206 4.016 . 0 0 "[ . 1 . 2]" 1
495 1 83 VAL HB 1 84 LEU H 1.800 . 3.500 2.640 2.435 2.990 . 0 0 "[ . 1 . 2]" 1
496 1 83 VAL MG1 1 84 LEU H 1.800 . 5.000 3.571 3.419 3.835 . 0 0 "[ . 1 . 2]" 1
497 1 83 VAL MG1 1 86 ALA MB 1.800 . 5.000 3.504 3.074 4.053 . 0 0 "[ . 1 . 2]" 1
498 1 83 VAL MG1 1 87 CYS H 1.800 . 5.000 4.189 3.618 4.752 . 0 0 "[ . 1 . 2]" 1
499 1 83 VAL H 1 83 VAL HB 1.800 . 3.000 2.558 2.485 2.604 . 0 0 "[ . 1 . 2]" 1
500 1 83 VAL H 1 83 VAL MG2 1.800 . 4.000 2.094 2.037 2.200 . 0 0 "[ . 1 . 2]" 1
501 1 83 VAL H 1 84 LEU H 1.800 . 3.200 2.463 2.276 2.591 . 0 0 "[ . 1 . 2]" 1
502 1 84 LEU HA 1 84 LEU MD1 1.800 . 5.000 3.745 1.897 3.887 . 0 0 "[ . 1 . 2]" 1
503 1 84 LEU HA 1 84 LEU MD2 1.800 . 3.500 2.166 1.955 3.139 . 0 0 "[ . 1 . 2]" 1
504 1 84 LEU HA 1 87 CYS QB 1.800 . 5.000 3.010 2.317 4.442 . 0 0 "[ . 1 . 2]" 1
505 1 84 LEU HA 1 87 CYS H 1.800 . 5.000 3.532 3.273 3.785 . 0 0 "[ . 1 . 2]" 1
506 1 84 LEU HA 1 94 LEU MD2 1.800 . 5.000 3.208 2.348 4.540 . 0 0 "[ . 1 . 2]" 1
507 1 84 LEU QB 1 84 LEU MD1 1.800 . 5.000 2.106 2.080 2.324 . 0 0 "[ . 1 . 2]" 1
508 1 84 LEU QB 1 84 LEU MD2 1.800 . 4.000 2.303 2.207 2.334 . 0 0 "[ . 1 . 2]" 1
509 1 84 LEU MD2 1 94 LEU MD2 1.800 . 4.000 2.415 1.798 3.570 0.002 17 0 "[ . 1 . 2]" 1
510 1 84 LEU H 1 84 LEU HG 1.800 . 5.000 2.496 2.098 4.396 . 0 0 "[ . 1 . 2]" 1
511 1 84 LEU H 1 85 ALA H 1.800 . 3.200 2.695 2.607 2.810 . 0 0 "[ . 1 . 2]" 1
512 1 85 ALA HA 1 88 LEU HB3 1.800 . 5.000 3.629 2.248 5.001 0.001 11 0 "[ . 1 . 2]" 1
513 1 85 ALA HA 1 88 LEU HB2 1.800 . 5.000 3.102 2.465 3.883 . 0 0 "[ . 1 . 2]" 1
514 1 85 ALA HA 1 88 LEU MD1 1.800 . 5.000 3.247 2.297 4.007 . 0 0 "[ . 1 . 2]" 1
515 1 85 ALA HA 1 88 LEU H 1.800 . 5.000 3.494 3.152 3.808 . 0 0 "[ . 1 . 2]" 1
516 1 85 ALA HA 1 89 THR H 1.800 . 5.000 3.963 3.719 4.267 . 0 0 "[ . 1 . 2]" 1
517 1 85 ALA MB 1 89 THR MG 1.800 . 5.000 3.844 3.003 5.008 0.008 12 0 "[ . 1 . 2]" 1
518 1 85 ALA H 1 86 ALA H 1.800 . 3.200 2.706 2.457 2.807 . 0 0 "[ . 1 . 2]" 1
519 1 85 ALA H 1 87 CYS H 1.800 . 5.000 4.193 3.996 4.604 . 0 0 "[ . 1 . 2]" 1
520 1 86 ALA HA 1 88 LEU H 1.800 . 5.000 4.510 4.224 4.770 . 0 0 "[ . 1 . 2]" 1
521 1 86 ALA HA 1 89 THR HB 1.800 . 5.000 4.213 2.658 5.002 0.002 16 0 "[ . 1 . 2]" 1
522 1 86 ALA HA 1 89 THR MG 1.800 . 5.000 3.768 2.016 4.248 . 0 0 "[ . 1 . 2]" 1
523 1 86 ALA HA 1 89 THR H 1.800 . 5.000 3.730 3.394 4.041 . 0 0 "[ . 1 . 2]" 1
524 1 86 ALA H 1 87 CYS H 1.800 . 3.200 2.635 2.419 2.799 . 0 0 "[ . 1 . 2]" 1
525 1 86 ALA H 1 88 LEU H 1.800 . 5.000 4.114 3.900 4.416 . 0 0 "[ . 1 . 2]" 1
526 1 87 CYS HA 1 90 ARG QB 1.800 . 5.000 3.321 2.620 4.140 . 0 0 "[ . 1 . 2]" 1
527 1 87 CYS HB3 1 88 LEU H 1.800 . 5.000 3.247 2.403 4.040 . 0 0 "[ . 1 . 2]" 1
528 1 87 CYS HB2 1 88 LEU H 1.800 . 5.000 3.225 2.471 3.952 . 0 0 "[ . 1 . 2]" 1
529 1 87 CYS H 1 88 LEU QB 1.800 . 5.000 4.397 4.047 4.935 . 0 0 "[ . 1 . 2]" 1
530 1 87 CYS H 1 88 LEU H 1.800 . 3.200 2.525 2.246 2.892 . 0 0 "[ . 1 . 2]" 1
531 1 88 LEU HA 1 88 LEU MD1 1.800 . 5.000 3.751 3.613 3.865 . 0 0 "[ . 1 . 2]" 1
532 1 88 LEU HA 1 88 LEU MD2 1.800 . 3.500 2.570 1.956 3.311 . 0 0 "[ . 1 . 2]" 1
533 1 88 LEU QB 1 89 THR H 1.800 . 3.500 2.594 2.421 2.861 . 0 0 "[ . 1 . 2]" 1
534 1 88 LEU H 1 88 LEU MD1 1.800 . 5.000 3.902 3.586 4.199 . 0 0 "[ . 1 . 2]" 1
535 1 88 LEU H 1 88 LEU MD2 1.800 . 5.000 3.775 3.252 4.280 . 0 0 "[ . 1 . 2]" 1
536 1 88 LEU H 1 88 LEU HG 1.800 . 5.000 3.365 2.219 4.454 . 0 0 "[ . 1 . 2]" 1
537 1 88 LEU H 1 89 THR H 1.800 . 3.200 2.641 2.476 2.743 . 0 0 "[ . 1 . 2]" 1
538 1 89 THR HB 1 90 ARG H 1.800 . 5.000 3.468 2.607 4.157 . 0 0 "[ . 1 . 2]" 1
539 1 89 THR MG 1 90 ARG H 1.800 . 5.000 3.853 2.477 4.290 . 0 0 "[ . 1 . 2]" 1
540 1 89 THR H 1 89 THR MG 1.800 . 5.000 2.797 2.213 3.781 . 0 0 "[ . 1 . 2]" 1
541 1 89 THR H 1 90 ARG H 1.800 . 3.500 2.667 2.436 2.895 . 0 0 "[ . 1 . 2]" 1
542 1 90 ARG HA 1 90 ARG QD 1.800 . 5.000 3.530 1.834 4.181 . 0 0 "[ . 1 . 2]" 1
543 1 90 ARG HB3 1 90 ARG QD 1.800 . 5.000 2.607 2.222 3.405 . 0 0 "[ . 1 . 2]" 1
544 1 90 ARG QB 1 92 ILE MD 1.800 . 5.000 2.592 2.259 4.046 . 0 0 "[ . 1 . 2]" 1
545 1 90 ARG QB 1 92 ILE H 1.800 . 5.000 3.275 2.915 3.624 . 0 0 "[ . 1 . 2]" 1
546 1 90 ARG QD 1 92 ILE MD 1.800 . 5.000 3.050 1.806 4.419 . 0 0 "[ . 1 . 2]" 1
547 1 90 ARG H 1 90 ARG QG 1.800 . 5.000 3.055 2.405 4.087 . 0 0 "[ . 1 . 2]" 1
548 1 90 ARG H 1 91 GLY H 1.800 . 3.000 2.355 1.931 2.577 . 0 0 "[ . 1 . 2]" 1
549 1 91 GLY H 1 92 ILE H 1.800 . 3.500 2.436 2.063 2.659 . 0 0 "[ . 1 . 2]" 1
550 1 92 ILE HA 1 92 ILE MD 1.800 . 5.000 3.503 2.024 3.886 . 0 0 "[ . 1 . 2]" 1
551 1 92 ILE HA 1 92 ILE MG 1.800 . 3.000 2.362 2.326 2.412 . 0 0 "[ . 1 . 2]" 1
552 1 92 ILE HA 1 93 GLY H 1.800 . 2.700 2.179 2.137 2.269 . 0 0 "[ . 1 . 2]" 1
553 1 92 ILE MG 1 93 GLY H 1.800 . 5.000 2.583 2.252 2.905 . 0 0 "[ . 1 . 2]" 1
554 1 92 ILE H 1 92 ILE MD 1.800 . 5.000 3.728 3.286 4.001 . 0 0 "[ . 1 . 2]" 1
555 1 92 ILE H 1 92 ILE HG13 1.800 . 5.000 2.763 2.280 3.907 . 0 0 "[ . 1 . 2]" 1
556 1 92 ILE H 1 92 ILE HG12 1.800 . 5.000 3.432 2.280 3.878 . 0 0 "[ . 1 . 2]" 1
557 1 94 LEU HA 1 94 LEU MD1 1.800 . 3.200 2.101 2.025 2.168 . 0 0 "[ . 1 . 2]" 1
558 1 94 LEU HA 1 94 LEU HG 1.800 . 4.000 3.161 3.032 3.258 . 0 0 "[ . 1 . 2]" 1
559 1 94 LEU HA 1 95 GLU H 1.800 . 2.700 2.156 2.124 2.194 . 0 0 "[ . 1 . 2]" 1
560 1 94 LEU HB2 1 94 LEU MD2 1.800 . 4.000 2.396 2.362 2.452 . 0 0 "[ . 1 . 2]" 1
561 1 94 LEU QB 1 94 LEU MD1 1.800 . 4.000 2.306 2.256 2.332 . 0 0 "[ . 1 . 2]" 1
562 1 94 LEU MD1 1 95 GLU H 1.800 . 5.000 2.789 2.386 3.236 . 0 0 "[ . 1 . 2]" 1
563 1 94 LEU MD1 1 96 ALA MB 1.800 . 5.000 4.108 3.615 4.442 . 0 0 "[ . 1 . 2]" 1
564 1 94 LEU MD2 1 96 ALA MB 1.800 . 5.000 4.016 3.284 4.504 . 0 0 "[ . 1 . 2]" 1
565 1 94 LEU HG 1 95 GLU H 1.800 . 5.000 3.649 3.257 3.906 . 0 0 "[ . 1 . 2]" 1
566 1 94 LEU H 1 94 LEU QB 1.800 . 3.500 2.399 2.268 2.654 . 0 0 "[ . 1 . 2]" 1
567 1 94 LEU H 1 94 LEU MD1 1.800 . 5.000 4.297 4.211 4.387 . 0 0 "[ . 1 . 2]" 1
568 1 94 LEU H 1 94 LEU MD2 1.800 . 5.000 4.413 4.296 4.658 . 0 0 "[ . 1 . 2]" 1
569 1 95 GLU HA 1 96 ALA H 1.800 . 2.700 2.162 2.119 2.268 . 0 0 "[ . 1 . 2]" 1
570 1 95 GLU QB 1 97 MET ME 1.800 . 5.000 2.716 1.804 4.467 . 0 0 "[ . 1 . 2]" 1
571 1 95 GLU QB 1 97 MET QG 1.800 . 5.000 3.108 2.443 4.437 . 0 0 "[ . 1 . 2]" 1
572 1 96 ALA HA 1 97 MET H 1.800 . 2.700 2.134 2.120 2.153 . 0 0 "[ . 1 . 2]" 1
573 1 96 ALA MB 1 97 MET QG 1.800 . 5.000 4.224 4.107 4.404 . 0 0 "[ . 1 . 2]" 1
574 1 97 MET HA 1 98 THR H 1.800 . 2.700 2.635 2.447 2.702 0.002 11 0 "[ . 1 . 2]" 1
575 1 97 MET HB3 1 102 ALA MB 1.800 . 5.000 3.760 2.878 4.251 . 0 0 "[ . 1 . 2]" 1
576 1 97 MET HB3 1 102 ALA H 1.800 . 5.000 3.634 3.232 4.370 . 0 0 "[ . 1 . 2]" 1
577 1 97 MET HB3 1 98 THR H 1.800 . 3.500 1.986 1.798 2.283 0.002 11 0 "[ . 1 . 2]" 1
578 1 97 MET HB2 1 102 ALA MB 1.800 . 5.000 2.687 2.136 3.276 . 0 0 "[ . 1 . 2]" 1
579 1 97 MET HB2 1 102 ALA H 1.800 . 5.000 3.588 3.215 4.110 . 0 0 "[ . 1 . 2]" 1
580 1 97 MET HB2 1 98 THR H 1.800 . 3.500 3.204 3.033 3.503 0.003 4 0 "[ . 1 . 2]" 1
581 1 97 MET QB 1 101 ALA MB 1.800 . 5.000 2.062 1.797 2.810 0.003 19 0 "[ . 1 . 2]" 1
582 1 97 MET QB 1 97 MET ME 1.800 . 5.000 2.610 1.911 3.585 . 0 0 "[ . 1 . 2]" 1
583 1 97 MET ME 1 102 ALA HA 1.800 . 5.000 3.178 1.934 4.497 . 0 0 "[ . 1 . 2]" 1
584 1 97 MET ME 1 102 ALA MB 1.800 . 5.000 3.741 2.367 5.001 0.001 19 0 "[ . 1 . 2]" 1
585 1 97 MET ME 1 105 THR HB 1.800 . 5.000 3.491 2.411 4.801 . 0 0 "[ . 1 . 2]" 1
586 1 97 MET ME 1 105 THR MG 1.800 . 5.000 2.921 1.798 4.431 0.002 3 0 "[ . 1 . 2]" 1
587 1 97 MET ME 1 97 MET HG3 1.800 . 5.000 2.548 2.473 3.399 . 0 0 "[ . 1 . 2]" 1
588 1 97 MET ME 1 97 MET HG2 1.800 . 5.000 2.999 2.466 3.405 . 0 0 "[ . 1 . 2]" 1
589 1 97 MET QG 1 101 ALA MB 1.800 . 5.000 3.532 3.195 4.206 . 0 0 "[ . 1 . 2]" 1
590 1 97 MET QG 1 102 ALA MB 1.800 . 5.000 4.328 3.353 4.938 . 0 0 "[ . 1 . 2]" 1
591 1 97 MET H 1 97 MET QG 1.800 . 5.000 3.168 2.902 3.408 . 0 0 "[ . 1 . 2]" 1
592 1 98 THR HA 1 99 ASN H 1.800 . 2.700 2.436 2.297 2.526 . 0 0 "[ . 1 . 2]" 1
593 1 98 THR HB 1 100 ALA H 1.800 . 5.000 2.907 2.716 3.190 . 0 0 "[ . 1 . 2]" 1
594 1 98 THR HB 1 99 ASN H 1.800 . 3.500 2.427 2.213 2.821 . 0 0 "[ . 1 . 2]" 1
595 1 98 THR MG 1 99 ASN H 1.800 . 5.000 3.563 3.026 3.770 . 0 0 "[ . 1 . 2]" 1
596 1 98 THR H 1 101 ALA MB 1.800 . 5.000 2.432 2.045 3.101 . 0 0 "[ . 1 . 2]" 1
597 1 98 THR H 1 101 ALA H 1.800 . 5.000 3.798 3.496 4.294 . 0 0 "[ . 1 . 2]" 1
598 1 98 THR H 1 98 THR MG 1.800 . 5.000 2.575 2.236 2.933 . 0 0 "[ . 1 . 2]" 1
599 1 99 ASN HA 1 102 ALA MB 1.800 . 5.000 2.761 2.225 3.121 . 0 0 "[ . 1 . 2]" 1
600 1 99 ASN HA 1 103 ALA H 1.800 . 5.000 4.064 3.725 4.385 . 0 0 "[ . 1 . 2]" 1
601 1 99 ASN HA 1 120 MET ME 1.800 . 4.000 2.790 2.008 3.886 . 0 0 "[ . 1 . 2]" 1
602 1 99 ASN HB3 1 100 ALA H 1.800 . 5.000 3.185 2.408 4.207 . 0 0 "[ . 1 . 2]" 1
603 1 99 ASN HB2 1 100 ALA H 1.800 . 5.000 3.304 2.580 4.009 . 0 0 "[ . 1 . 2]" 1
604 1 99 ASN QB 1 120 MET ME 1.800 . 5.000 3.093 1.854 4.551 . 0 0 "[ . 1 . 2]" 1
605 1 99 ASN QD 1 122 VAL MG2 1.800 . 5.000 2.966 1.823 4.409 . 0 0 "[ . 1 . 2]" 1
606 1 99 ASN H 1 100 ALA H 1.800 . 3.500 2.771 2.646 2.945 . 0 0 "[ . 1 . 2]" 1
607 1 100 ALA HA 1 103 ALA MB 1.800 . 5.000 3.063 2.616 3.707 . 0 0 "[ . 1 . 2]" 1
608 1 100 ALA HA 1 103 ALA H 1.800 . 5.000 3.807 3.362 4.330 . 0 0 "[ . 1 . 2]" 1
609 1 100 ALA MB 1 103 ALA MB 1.800 . 5.000 4.200 3.782 4.765 . 0 0 "[ . 1 . 2]" 1
610 1 100 ALA H 1 101 ALA H 1.800 . 3.200 2.645 2.467 2.747 . 0 0 "[ . 1 . 2]" 1
611 1 101 ALA HA 1 104 ARG HB3 1.800 . 5.000 3.726 2.601 5.002 0.002 11 0 "[ . 1 . 2]" 1
612 1 101 ALA HA 1 104 ARG HB2 1.800 . 5.000 3.324 2.643 3.802 . 0 0 "[ . 1 . 2]" 1
613 1 101 ALA HA 1 104 ARG H 1.800 . 5.000 3.508 3.286 3.742 . 0 0 "[ . 1 . 2]" 1
614 1 101 ALA HA 1 105 THR H 1.800 . 5.000 4.400 3.984 4.965 . 0 0 "[ . 1 . 2]" 1
615 1 101 ALA H 1 102 ALA MB 1.800 . 5.000 4.204 3.954 4.376 . 0 0 "[ . 1 . 2]" 1
616 1 101 ALA H 1 102 ALA H 1.800 . 3.200 2.517 2.260 2.698 . 0 0 "[ . 1 . 2]" 1
617 1 102 ALA HA 1 106 TYR H 1.800 . 5.000 4.072 3.829 4.407 . 0 0 "[ . 1 . 2]" 1
618 1 102 ALA HA 1 105 THR HB 1.800 . 5.000 3.225 2.750 4.857 . 0 0 "[ . 1 . 2]" 1
619 1 102 ALA MB 1 118 LEU MD1 1.800 . 5.000 2.159 1.878 2.475 . 0 0 "[ . 1 . 2]" 1
620 1 102 ALA MB 1 120 MET ME 1.800 . 5.000 2.737 1.870 4.317 . 0 0 "[ . 1 . 2]" 1
621 1 102 ALA H 1 103 ALA H 1.800 . 3.200 2.676 2.567 2.794 . 0 0 "[ . 1 . 2]" 1
622 1 103 ALA HA 1 118 LEU MD2 1.800 . 5.000 3.178 2.396 4.085 . 0 0 "[ . 1 . 2]" 1
623 1 103 ALA HA 1 106 TYR QB 1.800 . 5.000 2.502 2.135 2.717 . 0 0 "[ . 1 . 2]" 1
624 1 103 ALA MB 1 120 MET ME 1.800 . 5.000 2.777 1.802 4.027 . 0 0 "[ . 1 . 2]" 1
625 1 103 ALA H 1 104 ARG H 1.800 . 3.200 2.664 2.559 2.763 . 0 0 "[ . 1 . 2]" 1
626 1 103 ALA H 1 120 MET ME 1.800 . 5.000 3.355 2.379 4.856 . 0 0 "[ . 1 . 2]" 1
627 1 104 ARG HA 1 107 ASN QB 1.800 . 5.000 3.323 2.554 4.007 . 0 0 "[ . 1 . 2]" 1
628 1 104 ARG QB 1 105 THR H 1.800 . 4.500 2.468 2.321 2.805 . 0 0 "[ . 1 . 2]" 1
629 1 104 ARG H 1 105 THR H 1.800 . 3.200 2.638 2.469 2.826 . 0 0 "[ . 1 . 2]" 1
630 1 105 THR HA 1 108 VAL HB 1.800 . 5.000 3.231 2.776 3.672 . 0 0 "[ . 1 . 2]" 1
631 1 105 THR HA 1 108 VAL MG2 1.800 . 5.000 2.862 2.546 3.165 . 0 0 "[ . 1 . 2]" 1
632 1 105 THR HA 1 108 VAL H 1.800 . 5.000 3.467 3.286 3.734 . 0 0 "[ . 1 . 2]" 1
633 1 105 THR HB 1 106 TYR H 1.800 . 5.000 2.883 2.565 4.129 . 0 0 "[ . 1 . 2]" 1
634 1 105 THR MG 1 106 TYR H 1.800 . 5.000 3.733 2.622 4.139 . 0 0 "[ . 1 . 2]" 1
635 1 105 THR MG 1 108 VAL HB 1.800 . 5.000 3.571 3.219 4.802 . 0 0 "[ . 1 . 2]" 1
636 1 105 THR MG 1 109 LEU MD1 1.800 . 4.000 2.464 2.170 4.001 0.001 10 0 "[ . 1 . 2]" 1
637 1 105 THR MG 1 109 LEU HG 1.800 . 5.000 2.599 2.143 4.286 . 0 0 "[ . 1 . 2]" 1
638 1 105 THR H 1 105 THR MG 1.800 . 5.000 3.609 2.206 3.774 . 0 0 "[ . 1 . 2]" 1
639 1 105 THR H 1 106 TYR H 1.800 . 3.200 2.557 2.385 2.688 . 0 0 "[ . 1 . 2]" 1
640 1 106 TYR HA 1 106 TYR QD 1.800 . 5.000 2.700 2.428 2.890 . 0 0 "[ . 1 . 2]" 1
641 1 106 TYR HA 1 116 VAL MG1 1.800 . 5.000 3.442 2.316 4.255 . 0 0 "[ . 1 . 2]" 1
642 1 106 TYR HA 1 116 VAL MG2 1.800 . 5.000 3.325 2.852 3.796 . 0 0 "[ . 1 . 2]" 1
643 1 106 TYR HA 1 109 LEU H 1.800 . 5.000 3.464 3.298 3.683 . 0 0 "[ . 1 . 2]" 1
644 1 106 TYR QB 1 118 LEU MD2 1.800 . 5.000 2.659 1.998 3.522 . 0 0 "[ . 1 . 2]" 1
645 1 106 TYR QD 1 107 ASN H 1.800 . 5.000 3.557 3.095 4.089 . 0 0 "[ . 1 . 2]" 1
646 1 106 TYR QD 1 116 VAL MG1 1.800 . 5.000 2.732 1.804 3.457 . 0 0 "[ . 1 . 2]" 1
647 1 106 TYR QD 1 116 VAL MG2 1.800 . 5.000 2.704 2.120 3.451 . 0 0 "[ . 1 . 2]" 1
648 1 106 TYR QD 1 118 LEU MD2 1.800 . 5.000 2.975 2.775 3.304 . 0 0 "[ . 1 . 2]" 1
649 1 106 TYR QE 1 116 VAL MG1 1.800 . 5.000 2.391 1.891 2.995 . 0 0 "[ . 1 . 2]" 1
650 1 106 TYR H 1 106 TYR HB3 1.800 . 3.500 2.508 2.368 2.661 . 0 0 "[ . 1 . 2]" 1
651 1 106 TYR H 1 106 TYR HB2 1.800 . 3.500 2.546 2.386 2.668 . 0 0 "[ . 1 . 2]" 1
652 1 106 TYR H 1 107 ASN H 1.800 . 5.000 2.736 2.628 2.849 . 0 0 "[ . 1 . 2]" 1
653 1 107 ASN HA 1 110 ALA MB 1.800 . 5.000 2.810 2.458 3.282 . 0 0 "[ . 1 . 2]" 1
654 1 107 ASN H 1 107 ASN HB3 1.800 . 3.500 2.647 2.208 3.511 0.011 3 0 "[ . 1 . 2]" 1
655 1 107 ASN H 1 107 ASN HB2 1.800 . 3.500 2.547 2.209 3.504 0.004 11 0 "[ . 1 . 2]" 1
656 1 108 VAL HB 1 109 LEU H 1.800 . 4.000 2.465 2.348 2.634 . 0 0 "[ . 1 . 2]" 1
657 1 108 VAL MG1 1 109 LEU HA 1.800 . 5.000 3.399 3.169 3.607 . 0 0 "[ . 1 . 2]" 1
658 1 108 VAL H 1 108 VAL MG1 1.800 . 5.000 3.773 3.764 3.805 . 0 0 "[ . 1 . 2]" 1
659 1 108 VAL H 1 108 VAL MG2 1.800 . 3.500 2.051 1.942 2.302 . 0 0 "[ . 1 . 2]" 1
660 1 108 VAL H 1 109 LEU H 1.800 . 3.500 2.630 2.317 2.734 . 0 0 "[ . 1 . 2]" 1
661 1 109 LEU HA 1 109 LEU MD1 1.800 . 5.000 3.842 3.812 3.866 . 0 0 "[ . 1 . 2]" 1
662 1 109 LEU HA 1 109 LEU MD2 1.800 . 3.000 1.995 1.942 2.040 . 0 0 "[ . 1 . 2]" 1
663 1 109 LEU HA 1 112 GLU H 1.800 . 5.000 3.332 2.935 3.832 . 0 0 "[ . 1 . 2]" 1
664 1 109 LEU HA 1 112 GLU QB 1.800 . 5.000 2.618 1.888 3.923 . 0 0 "[ . 1 . 2]" 1
665 1 109 LEU QB 1 109 LEU MD1 1.800 . 5.000 2.099 2.095 2.104 . 0 0 "[ . 1 . 2]" 1
666 1 109 LEU QB 1 109 LEU MD2 1.800 . 5.000 2.327 2.283 2.385 . 0 0 "[ . 1 . 2]" 1
667 1 109 LEU MD1 1 116 VAL MG1 1.800 . 5.000 3.166 2.404 3.926 . 0 0 "[ . 1 . 2]" 1
668 1 109 LEU MD2 1 114 ARG QB 1.800 . 5.000 3.387 2.444 4.683 . 0 0 "[ . 1 . 2]" 1
669 1 109 LEU MD2 1 114 ARG QD 1.800 . 5.000 3.060 1.804 4.809 . 0 0 "[ . 1 . 2]" 1
670 1 109 LEU H 1 109 LEU MD2 1.800 . 4.000 3.240 2.924 3.480 . 0 0 "[ . 1 . 2]" 1
671 1 109 LEU H 1 109 LEU HG 1.800 . 4.000 2.262 2.177 2.394 . 0 0 "[ . 1 . 2]" 1
672 1 109 LEU H 1 110 ALA H 1.800 . 3.500 2.611 2.430 2.748 . 0 0 "[ . 1 . 2]" 1
673 1 110 ALA HA 1 113 GLY H 1.800 . 5.000 3.424 3.117 3.763 . 0 0 "[ . 1 . 2]" 1
674 1 110 ALA HA 1 114 ARG H 1.800 . 5.000 4.063 3.266 5.001 0.001 14 0 "[ . 1 . 2]" 1
675 1 110 ALA HA 1 116 VAL MG1 1.800 . 5.000 3.388 2.655 4.161 . 0 0 "[ . 1 . 2]" 1
676 1 110 ALA H 1 111 SER H 1.800 . 3.500 2.632 2.499 2.724 . 0 0 "[ . 1 . 2]" 1
677 1 110 ALA H 1 116 VAL MG1 1.800 . 5.000 3.713 2.978 4.692 . 0 0 "[ . 1 . 2]" 1
678 1 111 SER H 1 112 GLU H 1.800 . 3.500 2.530 2.404 2.738 . 0 0 "[ . 1 . 2]" 1
679 1 112 GLU H 1 112 GLU HB3 1.800 . 3.500 2.923 2.451 3.525 0.025 7 0 "[ . 1 . 2]" 1
680 1 112 GLU H 1 112 GLU HB2 1.800 . 3.500 2.438 2.155 2.699 . 0 0 "[ . 1 . 2]" 1
681 1 112 GLU H 1 112 GLU QG 1.800 . 5.000 3.489 2.148 4.056 . 0 0 "[ . 1 . 2]" 1
682 1 112 GLU H 1 113 GLY H 1.800 . 3.500 2.457 2.198 2.631 . 0 0 "[ . 1 . 2]" 1
683 1 113 GLY H 1 114 ARG H 1.800 . 3.500 2.372 1.997 2.711 . 0 0 "[ . 1 . 2]" 1
684 1 114 ARG HA 1 114 ARG QD 1.800 . 5.000 3.909 2.243 4.369 . 0 0 "[ . 1 . 2]" 1
685 1 114 ARG HA 1 115 ARG H 1.800 . 2.700 2.297 2.139 2.698 . 0 0 "[ . 1 . 2]" 1
686 1 114 ARG QB 1 114 ARG HD3 1.800 . 5.000 2.652 2.163 3.296 . 0 0 "[ . 1 . 2]" 1
687 1 114 ARG QB 1 114 ARG HD2 1.800 . 5.000 2.673 2.239 3.437 . 0 0 "[ . 1 . 2]" 1
688 1 114 ARG QB 1 115 ARG H 1.800 . 4.500 3.127 2.250 3.931 . 0 0 "[ . 1 . 2]" 1
689 1 114 ARG H 1 114 ARG QG 1.800 . 5.000 3.139 1.844 4.082 . 0 0 "[ . 1 . 2]" 1
690 1 115 ARG HA 1 116 VAL H 1.800 . 2.700 2.218 2.067 2.420 . 0 0 "[ . 1 . 2]" 1
691 1 115 ARG QB 1 115 ARG HD3 1.800 . 5.000 2.650 2.282 3.302 . 0 0 "[ . 1 . 2]" 1
692 1 115 ARG QB 1 115 ARG HD2 1.800 . 5.000 2.731 2.318 3.509 . 0 0 "[ . 1 . 2]" 1
693 1 116 VAL HA 1 116 VAL MG2 1.800 . 3.000 2.422 2.383 2.467 . 0 0 "[ . 1 . 2]" 1
694 1 116 VAL HA 1 117 ALA H 1.800 . 2.700 2.148 2.113 2.180 . 0 0 "[ . 1 . 2]" 1
695 1 116 VAL HB 1 117 ALA H 1.800 . 5.000 4.114 4.042 4.204 . 0 0 "[ . 1 . 2]" 1
696 1 116 VAL MG1 1 118 LEU MD1 1.800 . 5.000 4.694 3.971 5.002 0.002 14 0 "[ . 1 . 2]" 1
697 1 116 VAL MG2 1 117 ALA H 1.800 . 4.500 2.595 2.452 2.889 . 0 0 "[ . 1 . 2]" 1
698 1 116 VAL H 1 116 VAL HB 1.800 . 4.000 2.983 2.854 3.143 . 0 0 "[ . 1 . 2]" 1
699 1 116 VAL H 1 116 VAL MG1 1.800 . 3.500 1.927 1.830 2.069 . 0 0 "[ . 1 . 2]" 1
700 1 117 ALA HA 1 118 LEU H 1.800 . 2.700 2.167 2.144 2.195 . 0 0 "[ . 1 . 2]" 1
701 1 118 LEU HA 1 118 LEU MD1 1.800 . 3.200 2.045 1.982 2.107 . 0 0 "[ . 1 . 2]" 1
702 1 118 LEU HA 1 119 ALA H 1.800 . 2.700 2.192 2.152 2.253 . 0 0 "[ . 1 . 2]" 1
703 1 118 LEU QB 1 118 LEU MD1 1.800 . 5.000 2.296 2.280 2.316 . 0 0 "[ . 1 . 2]" 1
704 1 118 LEU MD1 1 119 ALA H 1.800 . 4.000 3.152 2.898 3.437 . 0 0 "[ . 1 . 2]" 1
705 1 118 LEU MD1 1 120 MET ME 1.800 . 5.000 2.740 1.796 4.301 0.004 1 0 "[ . 1 . 2]" 1
706 1 118 LEU MD2 1 120 MET ME 1.800 . 5.000 2.538 1.794 3.726 0.006 17 0 "[ . 1 . 2]" 1
707 1 118 LEU HG 1 119 ALA H 1.800 . 5.000 3.882 3.627 4.064 . 0 0 "[ . 1 . 2]" 1
708 1 118 LEU HG 1 120 MET ME 1.800 . 5.000 3.327 2.220 4.783 . 0 0 "[ . 1 . 2]" 1
709 1 119 ALA HA 1 120 MET H 1.800 . 2.700 2.182 2.146 2.222 . 0 0 "[ . 1 . 2]" 1
710 1 120 MET HA 1 121 ILE H 1.800 . 2.700 2.138 2.079 2.238 . 0 0 "[ . 1 . 2]" 1
711 1 120 MET HB3 1 120 MET ME 1.800 . 5.000 3.558 1.943 4.272 . 0 0 "[ . 1 . 2]" 1
712 1 120 MET HB2 1 120 MET ME 1.800 . 5.000 3.626 1.977 4.292 . 0 0 "[ . 1 . 2]" 1
713 1 120 MET QG 1 122 VAL MG2 1.800 . 5.000 3.882 2.240 5.011 0.011 2 0 "[ . 1 . 2]" 1
714 1 121 ILE HA 1 121 ILE MD 1.800 . 5.000 3.842 3.799 3.870 . 0 0 "[ . 1 . 2]" 1
715 1 121 ILE HA 1 122 VAL H 1.800 . 2.700 2.172 2.124 2.230 . 0 0 "[ . 1 . 2]" 1
716 1 121 ILE HB 1 122 VAL H 1.800 . 5.000 4.351 4.096 4.462 . 0 0 "[ . 1 . 2]" 1
717 1 121 ILE HG13 1 121 ILE MG 1.800 . 5.000 3.207 3.204 3.213 . 0 0 "[ . 1 . 2]" 1
718 1 121 ILE HG12 1 121 ILE MG 1.800 . 5.000 2.395 2.369 2.445 . 0 0 "[ . 1 . 2]" 1
719 1 121 ILE MG 1 122 VAL HA 1.800 . 5.000 3.885 3.540 4.192 . 0 0 "[ . 1 . 2]" 1
720 1 121 ILE MG 1 122 VAL H 1.800 . 4.000 3.116 2.534 3.386 . 0 0 "[ . 1 . 2]" 1
721 1 121 ILE H 1 121 ILE MD 1.800 . 5.000 3.842 3.694 3.987 . 0 0 "[ . 1 . 2]" 1
722 1 121 ILE H 1 121 ILE QG 1.800 . 5.000 2.504 2.259 2.691 . 0 0 "[ . 1 . 2]" 1
723 1 122 VAL HA 1 123 GLY H 1.800 . 3.500 2.199 2.093 2.595 . 0 0 "[ . 1 . 2]" 1
724 1 122 VAL HB 1 123 GLY H 1.800 . 5.000 3.795 1.965 4.400 . 0 0 "[ . 1 . 2]" 1
725 1 122 VAL MG1 1 123 GLY H 1.800 . 4.000 2.953 2.124 3.902 . 0 0 "[ . 1 . 2]" 1
726 1 122 VAL H 1 122 VAL MG1 1.800 . 5.000 3.608 2.876 3.906 . 0 0 "[ . 1 . 2]" 1
727 1 122 VAL H 1 122 VAL MG2 1.800 . 3.500 2.286 1.977 2.671 . 0 0 "[ . 1 . 2]" 1
728 1 123 GLY HA3 1 124 GLY H 1.800 . 3.500 2.833 2.124 3.517 0.017 19 0 "[ . 1 . 2]" 1
729 1 123 GLY HA2 1 124 GLY H 1.800 . 3.500 2.826 2.148 3.513 0.013 3 0 "[ . 1 . 2]" 1
730 1 125 LEU HA 1 125 LEU MD1 1.800 . 5.000 3.454 1.915 4.106 . 0 0 "[ . 1 . 2]" 1
731 1 125 LEU HA 1 125 LEU MD2 1.800 . 5.000 2.928 1.959 4.061 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 58
_Distance_constraint_stats_list.Viol_count 113
_Distance_constraint_stats_list.Viol_total 12.638
_Distance_constraint_stats_list.Viol_max 0.025
_Distance_constraint_stats_list.Viol_rms 0.0022
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0056
_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 31 GLN 0.041 0.012 1 0 "[ . 1 . 2]"
1 33 PHE 0.017 0.010 12 0 "[ . 1 . 2]"
1 34 ILE 0.024 0.014 10 0 "[ . 1 . 2]"
1 35 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 MET 0.034 0.008 6 0 "[ . 1 . 2]"
1 39 GLU 0.034 0.008 6 0 "[ . 1 . 2]"
1 41 VAL 0.024 0.014 10 0 "[ . 1 . 2]"
1 44 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLN 0.009 0.005 7 0 "[ . 1 . 2]"
1 56 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 MET 0.049 0.006 5 0 "[ . 1 . 2]"
1 59 ALA 0.066 0.007 12 0 "[ . 1 . 2]"
1 60 VAL 0.030 0.006 5 0 "[ . 1 . 2]"
1 61 LEU 0.010 0.005 2 0 "[ . 1 . 2]"
1 63 LEU 0.066 0.007 12 0 "[ . 1 . 2]"
1 67 VAL 0.127 0.016 18 0 "[ . 1 . 2]"
1 68 ILE 0.005 0.002 11 0 "[ . 1 . 2]"
1 69 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 LEU 0.007 0.004 3 0 "[ . 1 . 2]"
1 71 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 THR 0.011 0.006 3 0 "[ . 1 . 2]"
1 73 GLY 0.223 0.025 2 0 "[ . 1 . 2]"
1 85 ALA 0.004 0.004 15 0 "[ . 1 . 2]"
1 89 THR 0.004 0.004 15 0 "[ . 1 . 2]"
1 93 GLY 0.005 0.002 11 0 "[ . 1 . 2]"
1 95 GLU 0.007 0.004 3 0 "[ . 1 . 2]"
1 97 MET 0.011 0.006 3 0 "[ . 1 . 2]"
1 98 THR 0.003 0.003 7 0 "[ . 1 . 2]"
1 99 ASN 0.022 0.011 5 0 "[ . 1 . 2]"
1 102 ALA 0.003 0.003 7 0 "[ . 1 . 2]"
1 103 ALA 0.013 0.011 5 0 "[ . 1 . 2]"
1 105 THR 0.009 0.005 14 0 "[ . 1 . 2]"
1 109 LEU 0.009 0.005 14 0 "[ . 1 . 2]"
1 115 ARG 0.127 0.016 18 0 "[ . 1 . 2]"
1 117 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 MET 0.017 0.010 12 0 "[ . 1 . 2]"
1 121 ILE 0.214 0.025 2 0 "[ . 1 . 2]"
1 122 VAL 0.041 0.012 1 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 33 PHE N 1 120 MET O 2.700 2.700 3.300 3.024 2.817 3.256 . 0 0 "[ . 1 . 2]" 2
2 1 33 PHE H 1 120 MET O 1.700 . 2.300 2.098 1.877 2.310 0.010 12 0 "[ . 1 . 2]" 2
3 1 34 ILE N 1 41 VAL O 2.700 2.700 3.300 2.895 2.700 3.299 . 0 0 "[ . 1 . 2]" 2
4 1 34 ILE H 1 41 VAL O 1.700 . 2.300 1.935 1.734 2.314 0.014 10 0 "[ . 1 . 2]" 2
5 1 35 LEU N 1 118 LEU O 2.700 2.700 3.300 2.793 2.746 2.942 . 0 0 "[ . 1 . 2]" 2
6 1 35 LEU H 1 118 LEU O 1.700 . 2.300 1.819 1.764 1.980 . 0 0 "[ . 1 . 2]" 2
7 1 36 MET N 1 39 GLU O 2.700 2.700 3.300 3.065 2.733 3.265 . 0 0 "[ . 1 . 2]" 2
8 1 36 MET H 1 39 GLU O 1.700 . 2.300 2.187 1.824 2.308 0.008 6 0 "[ . 1 . 2]" 2
9 1 34 ILE O 1 41 VAL N 2.700 2.700 3.300 2.820 2.738 2.919 . 0 0 "[ . 1 . 2]" 2
10 1 34 ILE O 1 41 VAL H 1.700 . 2.300 1.873 1.780 2.040 . 0 0 "[ . 1 . 2]" 2
11 1 53 GLN O 1 57 MET N 2.700 2.700 3.300 2.923 2.731 3.137 . 0 0 "[ . 1 . 2]" 2
12 1 53 GLN O 1 57 MET H 1.700 . 2.300 2.084 1.830 2.305 0.005 7 0 "[ . 1 . 2]" 2
13 1 57 MET O 1 60 VAL N 2.700 2.700 3.300 2.937 2.860 3.001 . 0 0 "[ . 1 . 2]" 2
14 1 57 MET O 1 60 VAL H 1.700 . 2.300 2.291 2.224 2.306 0.006 5 0 "[ . 1 . 2]" 2
15 1 57 MET O 1 61 LEU N 2.700 2.700 3.300 3.056 2.792 3.235 . 0 0 "[ . 1 . 2]" 2
16 1 57 MET O 1 61 LEU H 1.700 . 2.300 2.127 1.867 2.305 0.005 2 0 "[ . 1 . 2]" 2
17 1 59 ALA O 1 63 LEU N 2.700 2.700 3.300 3.115 2.876 3.249 . 0 0 "[ . 1 . 2]" 2
18 1 59 ALA O 1 63 LEU H 1.700 . 2.300 2.287 2.173 2.307 0.007 12 0 "[ . 1 . 2]" 2
19 1 67 VAL N 1 115 ARG O 2.700 2.700 3.300 3.213 2.983 3.294 . 0 0 "[ . 1 . 2]" 2
20 1 67 VAL H 1 115 ARG O 1.700 . 2.300 2.269 2.010 2.316 0.016 18 0 "[ . 1 . 2]" 2
21 1 68 ILE N 1 93 GLY O 2.700 2.700 3.300 2.789 2.698 3.218 0.002 11 0 "[ . 1 . 2]" 2
22 1 68 ILE H 1 93 GLY O 1.700 . 2.300 1.817 1.722 2.244 . 0 0 "[ . 1 . 2]" 2
23 1 69 LEU N 1 117 ALA O 2.700 2.700 3.300 2.868 2.730 3.145 . 0 0 "[ . 1 . 2]" 2
24 1 69 LEU H 1 117 ALA O 1.700 . 2.300 1.956 1.772 2.278 . 0 0 "[ . 1 . 2]" 2
25 1 70 LEU N 1 95 GLU O 2.700 2.700 3.300 2.756 2.696 2.845 0.004 3 0 "[ . 1 . 2]" 2
26 1 70 LEU H 1 95 GLU O 1.700 . 2.300 1.801 1.727 1.912 . 0 0 "[ . 1 . 2]" 2
27 1 72 THR N 1 97 MET O 2.700 2.700 3.300 2.962 2.701 3.215 . 0 0 "[ . 1 . 2]" 2
28 1 72 THR H 1 97 MET O 1.700 . 2.300 2.044 1.748 2.306 0.006 3 0 "[ . 1 . 2]" 2
29 1 73 GLY N 1 121 ILE O 2.700 2.700 3.300 2.854 2.687 3.135 0.013 2 0 "[ . 1 . 2]" 2
30 1 73 GLY H 1 121 ILE O 1.700 . 2.300 2.303 2.157 2.325 0.025 2 0 "[ . 1 . 2]" 2
31 1 85 ALA O 1 89 THR N 2.700 2.700 3.300 2.952 2.738 3.211 . 0 0 "[ . 1 . 2]" 2
32 1 85 ALA O 1 89 THR H 1.700 . 2.300 2.028 1.763 2.304 0.004 15 0 "[ . 1 . 2]" 2
33 1 68 ILE O 1 95 GLU N 2.700 2.700 3.300 2.907 2.729 3.150 . 0 0 "[ . 1 . 2]" 2
34 1 68 ILE O 1 95 GLU H 1.700 . 2.300 1.946 1.763 2.185 . 0 0 "[ . 1 . 2]" 2
35 1 70 LEU O 1 97 MET N 2.700 2.700 3.300 2.777 2.700 3.096 . 0 0 "[ . 1 . 2]" 2
36 1 70 LEU O 1 97 MET H 1.700 . 2.300 1.801 1.726 2.119 . 0 0 "[ . 1 . 2]" 2
37 1 73 GLY O 1 99 ASN N 2.700 2.700 3.300 2.918 2.695 3.277 0.005 7 0 "[ . 1 . 2]" 2
38 1 73 GLY O 1 99 ASN H 1.700 . 2.300 1.951 1.712 2.303 0.003 16 0 "[ . 1 . 2]" 2
39 1 98 THR O 1 102 ALA N 2.700 2.700 3.300 2.799 2.697 2.928 0.003 7 0 "[ . 1 . 2]" 2
40 1 98 THR O 1 102 ALA H 1.700 . 2.300 1.847 1.744 1.986 . 0 0 "[ . 1 . 2]" 2
41 1 99 ASN O 1 103 ALA N 2.700 2.700 3.300 3.114 2.949 3.225 . 0 0 "[ . 1 . 2]" 2
42 1 99 ASN O 1 103 ALA H 1.700 . 2.300 2.196 2.043 2.311 0.011 5 0 "[ . 1 . 2]" 2
43 1 105 THR O 1 109 LEU N 2.700 2.700 3.300 3.042 2.901 3.270 . 0 0 "[ . 1 . 2]" 2
44 1 105 THR O 1 109 LEU H 1.700 . 2.300 2.080 1.925 2.305 0.005 14 0 "[ . 1 . 2]" 2
45 1 67 VAL O 1 117 ALA N 2.700 2.700 3.300 2.805 2.722 2.900 . 0 0 "[ . 1 . 2]" 2
46 1 67 VAL O 1 117 ALA H 1.700 . 2.300 1.852 1.767 1.990 . 0 0 "[ . 1 . 2]" 2
47 1 35 LEU O 1 118 LEU N 2.700 2.700 3.300 2.936 2.754 3.175 . 0 0 "[ . 1 . 2]" 2
48 1 35 LEU O 1 118 LEU H 1.700 . 2.300 2.025 1.809 2.299 . 0 0 "[ . 1 . 2]" 2
49 1 69 LEU O 1 119 ALA N 2.700 2.700 3.300 2.839 2.731 3.060 . 0 0 "[ . 1 . 2]" 2
50 1 69 LEU O 1 119 ALA H 1.700 . 2.300 2.009 1.821 2.296 . 0 0 "[ . 1 . 2]" 2
51 1 33 PHE O 1 120 MET N 2.700 2.700 3.300 2.896 2.765 3.031 . 0 0 "[ . 1 . 2]" 2
52 1 33 PHE O 1 120 MET H 1.700 . 2.300 2.017 1.860 2.171 . 0 0 "[ . 1 . 2]" 2
53 1 71 GLY O 1 121 ILE N 2.700 2.700 3.300 2.842 2.715 3.082 . 0 0 "[ . 1 . 2]" 2
54 1 71 GLY O 1 121 ILE H 1.700 . 2.300 1.963 1.766 2.229 . 0 0 "[ . 1 . 2]" 2
55 1 31 GLN O 1 122 VAL N 2.700 2.700 3.300 3.090 2.701 3.287 . 0 0 "[ . 1 . 2]" 2
56 1 31 GLN O 1 122 VAL H 1.700 . 2.300 2.165 1.749 2.312 0.012 1 0 "[ . 1 . 2]" 2
57 1 44 TRP NE1 1 56 HIS O 2.700 2.700 3.300 2.930 2.756 3.245 . 0 0 "[ . 1 . 2]" 2
58 1 44 TRP HE1 1 56 HIS O 1.700 . 2.300 2.000 1.810 2.297 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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