NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
473620 |
2jo6   |
15139 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jo6
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 912
_Distance_constraint_stats_list.Viol_count 796
_Distance_constraint_stats_list.Viol_total 84.978
_Distance_constraint_stats_list.Viol_max 0.026
_Distance_constraint_stats_list.Viol_rms 0.0014
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0053
_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 5 SER 0.190 0.018 5 0 "[ . 1 . 2]"
1 6 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 TRP 0.118 0.011 19 0 "[ . 1 . 2]"
1 8 LYS 0.025 0.008 17 0 "[ . 1 . 2]"
1 9 ASP 0.060 0.013 13 0 "[ . 1 . 2]"
1 10 ILE 0.273 0.017 15 0 "[ . 1 . 2]"
1 11 CYS 0.016 0.005 16 0 "[ . 1 . 2]"
1 12 LYS 0.247 0.019 18 0 "[ . 1 . 2]"
1 13 ILE 0.093 0.012 15 0 "[ . 1 . 2]"
1 14 ASP 0.023 0.010 19 0 "[ . 1 . 2]"
1 15 ASP 0.125 0.019 18 0 "[ . 1 . 2]"
1 16 ILE 0.234 0.018 5 0 "[ . 1 . 2]"
1 17 LEU 0.024 0.012 10 0 "[ . 1 . 2]"
1 18 PRO 0.088 0.015 7 0 "[ . 1 . 2]"
1 19 GLU 0.028 0.015 1 0 "[ . 1 . 2]"
1 20 THR 0.135 0.012 10 0 "[ . 1 . 2]"
1 21 GLY 0.038 0.009 5 0 "[ . 1 . 2]"
1 22 VAL 0.043 0.007 20 0 "[ . 1 . 2]"
1 23 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ALA 0.012 0.007 9 0 "[ . 1 . 2]"
1 25 LEU 0.012 0.007 20 0 "[ . 1 . 2]"
1 26 LEU 0.125 0.011 17 0 "[ . 1 . 2]"
1 27 GLY 0.010 0.005 3 0 "[ . 1 . 2]"
1 28 ASP 0.032 0.009 4 0 "[ . 1 . 2]"
1 29 GLU 0.046 0.021 20 0 "[ . 1 . 2]"
1 30 GLN 0.068 0.009 7 0 "[ . 1 . 2]"
1 31 VAL 0.148 0.021 20 0 "[ . 1 . 2]"
1 32 ALA 0.020 0.009 7 0 "[ . 1 . 2]"
1 33 ILE 0.104 0.011 11 0 "[ . 1 . 2]"
1 34 PHE 0.012 0.012 16 0 "[ . 1 . 2]"
1 35 ARG 0.068 0.014 2 0 "[ . 1 . 2]"
1 36 PRO 0.140 0.014 2 0 "[ . 1 . 2]"
1 37 TYR 0.061 0.015 1 0 "[ . 1 . 2]"
1 38 HIS 0.088 0.015 7 0 "[ . 1 . 2]"
1 39 SER 0.005 0.005 7 0 "[ . 1 . 2]"
1 40 ASP 0.027 0.005 7 0 "[ . 1 . 2]"
1 41 GLN 0.024 0.005 6 0 "[ . 1 . 2]"
1 42 VAL 0.098 0.012 14 0 "[ . 1 . 2]"
1 43 PHE 0.099 0.012 14 0 "[ . 1 . 2]"
1 44 ALA 0.064 0.009 20 0 "[ . 1 . 2]"
1 45 ILE 0.020 0.006 15 0 "[ . 1 . 2]"
1 46 SER 0.045 0.023 17 0 "[ . 1 . 2]"
1 47 ASN 0.054 0.009 7 0 "[ . 1 . 2]"
1 48 ILE 0.281 0.026 10 0 "[ . 1 . 2]"
1 49 ASP 0.040 0.008 1 0 "[ . 1 . 2]"
1 50 PRO 0.088 0.009 18 0 "[ . 1 . 2]"
1 51 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 PHE 0.127 0.010 1 0 "[ . 1 . 2]"
1 53 GLU 0.029 0.017 11 0 "[ . 1 . 2]"
1 54 SER 0.047 0.009 5 0 "[ . 1 . 2]"
1 55 SER 0.194 0.023 6 0 "[ . 1 . 2]"
1 56 VAL 0.229 0.026 10 0 "[ . 1 . 2]"
1 57 LEU 0.014 0.006 5 0 "[ . 1 . 2]"
1 58 SER 0.082 0.007 20 0 "[ . 1 . 2]"
1 59 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLY 0.005 0.003 5 0 "[ . 1 . 2]"
1 61 LEU 0.018 0.005 7 0 "[ . 1 . 2]"
1 62 ILE 0.025 0.005 5 0 "[ . 1 . 2]"
1 63 ALA 0.003 0.002 1 0 "[ . 1 . 2]"
1 64 GLU 0.041 0.017 1 0 "[ . 1 . 2]"
1 65 HIS 0.006 0.003 19 0 "[ . 1 . 2]"
1 66 GLN 0.010 0.007 6 0 "[ . 1 . 2]"
1 67 GLY 0.031 0.017 1 0 "[ . 1 . 2]"
1 68 GLU 0.066 0.013 1 0 "[ . 1 . 2]"
1 69 LEU 0.121 0.011 12 0 "[ . 1 . 2]"
1 70 TRP 0.108 0.011 20 0 "[ . 1 . 2]"
1 71 VAL 0.025 0.004 11 0 "[ . 1 . 2]"
1 72 ALA 0.016 0.008 8 0 "[ . 1 . 2]"
1 73 SER 0.008 0.005 13 0 "[ . 1 . 2]"
1 74 PRO 0.015 0.005 11 0 "[ . 1 . 2]"
1 75 LEU 0.046 0.009 4 0 "[ . 1 . 2]"
1 76 LYS 0.064 0.010 1 0 "[ . 1 . 2]"
1 77 LYS 0.017 0.008 8 0 "[ . 1 . 2]"
1 78 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ARG 0.002 0.002 14 0 "[ . 1 . 2]"
1 80 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 ARG 0.085 0.012 13 0 "[ . 1 . 2]"
1 82 LEU 0.075 0.007 17 0 "[ . 1 . 2]"
1 83 SER 0.010 0.005 11 0 "[ . 1 . 2]"
1 84 ASP 0.077 0.013 13 0 "[ . 1 . 2]"
1 85 GLY 0.049 0.012 13 0 "[ . 1 . 2]"
1 86 LEU 0.206 0.010 20 0 "[ . 1 . 2]"
1 87 CYS 0.079 0.015 8 0 "[ . 1 . 2]"
1 88 MET 0.211 0.010 20 0 "[ . 1 . 2]"
1 89 GLU 0.009 0.006 12 0 "[ . 1 . 2]"
1 90 ASP 0.070 0.013 7 0 "[ . 1 . 2]"
1 91 GLU 0.030 0.010 15 0 "[ . 1 . 2]"
1 92 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 PHE 0.017 0.017 7 0 "[ . 1 . 2]"
1 94 SER 0.098 0.017 7 0 "[ . 1 . 2]"
1 95 VAL 0.013 0.007 2 0 "[ . 1 . 2]"
1 96 LYS 0.083 0.023 17 0 "[ . 1 . 2]"
1 97 HIS 0.063 0.013 13 0 "[ . 1 . 2]"
1 98 TYR 0.189 0.013 9 0 "[ . 1 . 2]"
1 99 GLU 0.079 0.012 12 0 "[ . 1 . 2]"
1 100 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 ARG 0.108 0.011 19 0 "[ . 1 . 2]"
1 102 VAL 0.066 0.009 5 0 "[ . 1 . 2]"
1 103 LYS 0.324 0.023 2 0 "[ . 1 . 2]"
1 104 ASP 0.016 0.009 20 0 "[ . 1 . 2]"
1 105 GLY 0.000 0.000 12 0 "[ . 1 . 2]"
1 106 VAL 0.461 0.023 2 0 "[ . 1 . 2]"
1 107 VAL 0.321 0.017 15 0 "[ . 1 . 2]"
1 108 GLN 0.301 0.015 4 0 "[ . 1 . 2]"
1 109 LEU 0.049 0.007 16 0 "[ . 1 . 2]"
1 110 ARG 0.301 0.018 5 0 "[ . 1 . 2]"
1 111 GLY 0.139 0.017 18 0 "[ . 1 . 2]"
1 112 GLY 0.068 0.017 18 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 5 SER HA 1 110 ARG QB 1.800 . 5.000 4.422 3.569 5.010 0.010 19 0 "[ . 1 . 2]" 1
2 1 5 SER HA 1 110 ARG HD3 1.800 . 5.000 3.690 2.054 5.013 0.013 15 0 "[ . 1 . 2]" 1
3 1 5 SER HA 1 110 ARG HD2 1.800 . 5.000 2.808 1.806 4.579 . 0 0 "[ . 1 . 2]" 1
4 1 5 SER HA 1 110 ARG QG 1.800 . 5.000 2.655 1.796 3.382 0.004 12 0 "[ . 1 . 2]" 1
5 1 5 SER HB3 1 110 ARG QB 1.800 . 5.000 4.463 3.400 5.013 0.013 4 0 "[ . 1 . 2]" 1
6 1 5 SER HB2 1 110 ARG QB 1.800 . 5.000 4.698 4.067 5.018 0.018 5 0 "[ . 1 . 2]" 1
7 1 5 SER QB 1 110 ARG QG 1.800 . 5.000 3.119 2.157 4.138 . 0 0 "[ . 1 . 2]" 1
8 1 5 SER QB 1 7 TRP H 1.800 . 5.000 4.000 2.867 5.004 0.004 4 0 "[ . 1 . 2]" 1
9 1 6 GLN HA 1 7 TRP H 1.800 . 2.900 2.300 2.092 2.817 . 0 0 "[ . 1 . 2]" 1
10 1 7 TRP HA 1 108 GLN QB 1.800 . 5.000 3.500 3.250 3.828 . 0 0 "[ . 1 . 2]" 1
11 1 7 TRP HA 1 109 LEU H 1.800 . 5.000 3.788 3.477 4.163 . 0 0 "[ . 1 . 2]" 1
12 1 7 TRP HA 1 110 ARG HA 1.800 . 5.000 2.990 2.581 3.202 . 0 0 "[ . 1 . 2]" 1
13 1 7 TRP HA 1 110 ARG QB 1.800 . 5.000 3.108 2.862 3.471 . 0 0 "[ . 1 . 2]" 1
14 1 7 TRP HA 1 110 ARG QD 1.800 . 5.000 4.742 4.306 5.003 0.003 12 0 "[ . 1 . 2]" 1
15 1 7 TRP HA 1 110 ARG QG 1.800 . 5.000 4.116 3.615 4.519 . 0 0 "[ . 1 . 2]" 1
16 1 7 TRP HA 1 111 GLY H 1.800 . 5.000 4.870 4.386 5.007 0.007 10 0 "[ . 1 . 2]" 1
17 1 7 TRP HA 1 8 LYS H 1.800 . 2.900 2.184 2.090 2.268 . 0 0 "[ . 1 . 2]" 1
18 1 7 TRP HB3 1 108 GLN QB 1.800 . 5.000 2.099 1.792 2.644 0.008 12 0 "[ . 1 . 2]" 1
19 1 7 TRP HB2 1 108 GLN QB 1.800 . 5.000 3.675 3.106 4.222 . 0 0 "[ . 1 . 2]" 1
20 1 7 TRP QB 1 108 GLN HA 1.800 . 5.000 4.296 3.842 4.896 . 0 0 "[ . 1 . 2]" 1
21 1 7 TRP QB 1 108 GLN QE 1.800 . 5.000 3.104 1.934 3.801 . 0 0 "[ . 1 . 2]" 1
22 1 7 TRP QB 1 109 LEU H 1.800 . 5.000 4.143 3.693 4.611 . 0 0 "[ . 1 . 2]" 1
23 1 7 TRP HD1 1 110 ARG QD 1.800 . 5.000 3.983 3.304 4.553 . 0 0 "[ . 1 . 2]" 1
24 1 7 TRP HE1 1 110 ARG QB 1.800 . 5.000 3.879 3.527 4.149 . 0 0 "[ . 1 . 2]" 1
25 1 7 TRP HE1 1 110 ARG HD3 1.800 . 5.000 3.012 2.304 4.496 . 0 0 "[ . 1 . 2]" 1
26 1 7 TRP HE1 1 110 ARG HD2 1.800 . 5.000 3.870 2.753 4.987 . 0 0 "[ . 1 . 2]" 1
27 1 7 TRP HE1 1 110 ARG HE 1.800 . 5.000 4.577 2.466 5.005 0.005 4 0 "[ . 1 . 2]" 1
28 1 7 TRP HE3 1 108 GLN HB3 1.800 . 5.000 2.366 1.936 3.005 . 0 0 "[ . 1 . 2]" 1
29 1 7 TRP HE3 1 108 GLN HB2 1.800 . 5.000 2.526 1.940 3.027 . 0 0 "[ . 1 . 2]" 1
30 1 7 TRP HE3 1 109 LEU HA 1.800 . 5.000 3.490 2.933 3.854 . 0 0 "[ . 1 . 2]" 1
31 1 7 TRP HE3 1 110 ARG HA 1.800 . 5.000 4.517 4.178 5.005 0.005 12 0 "[ . 1 . 2]" 1
32 1 7 TRP HE3 1 110 ARG HB3 1.800 . 5.000 4.401 3.987 4.721 . 0 0 "[ . 1 . 2]" 1
33 1 7 TRP HE3 1 110 ARG HB2 1.800 . 5.000 3.444 3.162 3.671 . 0 0 "[ . 1 . 2]" 1
34 1 7 TRP HE3 1 110 ARG H 1.800 . 5.000 3.649 3.228 4.040 . 0 0 "[ . 1 . 2]" 1
35 1 7 TRP HE3 1 100 ALA HA 1.800 . 5.000 4.127 3.658 4.584 . 0 0 "[ . 1 . 2]" 1
36 1 7 TRP HE3 1 101 ARG QG 1.800 . 5.000 3.023 2.447 5.011 0.011 19 0 "[ . 1 . 2]" 1
37 1 7 TRP HH2 1 99 GLU HB3 1.800 . 5.000 2.594 2.145 3.146 . 0 0 "[ . 1 . 2]" 1
38 1 7 TRP HH2 1 99 GLU HB2 1.800 . 5.000 3.601 3.078 4.363 . 0 0 "[ . 1 . 2]" 1
39 1 7 TRP HH2 1 99 GLU QG 1.800 . 5.000 4.118 1.917 4.974 . 0 0 "[ . 1 . 2]" 1
40 1 7 TRP HH2 1 100 ALA HA 1.800 . 5.000 4.400 3.834 4.936 . 0 0 "[ . 1 . 2]" 1
41 1 7 TRP HH2 1 100 ALA H 1.800 . 5.000 4.375 3.517 4.997 . 0 0 "[ . 1 . 2]" 1
42 1 7 TRP HH2 1 101 ARG QD 1.800 . 5.000 3.546 2.969 3.978 . 0 0 "[ . 1 . 2]" 1
43 1 7 TRP H 1 110 ARG QB 1.800 . 5.000 4.503 4.279 4.818 . 0 0 "[ . 1 . 2]" 1
44 1 7 TRP H 1 110 ARG QD 1.800 . 5.000 4.836 4.300 5.006 0.006 15 0 "[ . 1 . 2]" 1
45 1 7 TRP HZ2 1 110 ARG HD3 1.800 . 5.000 3.190 2.587 4.212 . 0 0 "[ . 1 . 2]" 1
46 1 7 TRP HZ2 1 110 ARG HD2 1.800 . 5.000 4.376 2.940 5.004 0.004 11 0 "[ . 1 . 2]" 1
47 1 7 TRP HZ2 1 110 ARG QG 1.800 . 5.000 4.807 4.507 5.004 0.004 6 0 "[ . 1 . 2]" 1
48 1 7 TRP HZ2 1 99 GLU QB 1.800 . 5.000 3.814 3.242 4.262 . 0 0 "[ . 1 . 2]" 1
49 1 7 TRP HZ2 1 101 ARG QD 1.800 . 5.000 3.841 3.540 4.268 . 0 0 "[ . 1 . 2]" 1
50 1 7 TRP HZ3 1 109 LEU HA 1.800 . 5.000 3.418 2.845 3.952 . 0 0 "[ . 1 . 2]" 1
51 1 7 TRP HZ3 1 110 ARG H 1.800 . 5.000 3.317 2.950 3.837 . 0 0 "[ . 1 . 2]" 1
52 1 7 TRP HZ3 1 99 GLU QB 1.800 . 5.000 3.559 2.855 4.067 . 0 0 "[ . 1 . 2]" 1
53 1 7 TRP HZ3 1 100 ALA HA 1.800 . 5.000 2.553 1.899 2.952 . 0 0 "[ . 1 . 2]" 1
54 1 7 TRP HZ3 1 100 ALA MB 1.800 . 5.000 4.126 3.623 4.502 . 0 0 "[ . 1 . 2]" 1
55 1 7 TRP HZ3 1 100 ALA H 1.800 . 5.000 4.123 3.579 4.639 . 0 0 "[ . 1 . 2]" 1
56 1 7 TRP HZ3 1 101 ARG QG 1.800 . 5.000 2.569 1.975 4.458 . 0 0 "[ . 1 . 2]" 1
57 1 7 TRP HZ3 1 101 ARG H 1.800 . 5.000 2.809 2.465 3.512 . 0 0 "[ . 1 . 2]" 1
58 1 8 LYS HA 1 9 ASP H 1.800 . 2.900 2.141 2.109 2.173 . 0 0 "[ . 1 . 2]" 1
59 1 8 LYS HA 1 10 ILE MD 1.800 . 5.000 4.693 4.141 5.001 0.001 9 0 "[ . 1 . 2]" 1
60 1 8 LYS HB3 1 26 LEU MD1 1.800 . 5.000 3.081 1.883 4.912 . 0 0 "[ . 1 . 2]" 1
61 1 8 LYS HB2 1 26 LEU MD1 1.800 . 5.000 3.383 2.222 5.001 0.001 20 0 "[ . 1 . 2]" 1
62 1 8 LYS QB 1 109 LEU H 1.800 . 5.000 3.335 3.003 3.751 . 0 0 "[ . 1 . 2]" 1
63 1 8 LYS QB 1 10 ILE MD 1.800 . 5.000 2.832 2.057 3.213 . 0 0 "[ . 1 . 2]" 1
64 1 8 LYS QD 1 26 LEU HA 1.800 . 5.000 3.436 2.583 5.004 0.004 7 0 "[ . 1 . 2]" 1
65 1 8 LYS QD 1 10 ILE MD 1.800 . 5.000 3.197 2.414 4.401 . 0 0 "[ . 1 . 2]" 1
66 1 8 LYS QE 1 10 ILE MD 1.800 . 5.000 3.498 2.343 5.006 0.006 15 0 "[ . 1 . 2]" 1
67 1 8 LYS QG 1 26 LEU HA 1.800 . 5.000 4.231 2.796 5.008 0.008 17 0 "[ . 1 . 2]" 1
68 1 8 LYS QG 1 10 ILE MD 1.800 . 5.000 2.684 1.909 4.278 . 0 0 "[ . 1 . 2]" 1
69 1 8 LYS H 1 108 GLN HA 1.800 . 5.000 4.490 4.040 4.712 . 0 0 "[ . 1 . 2]" 1
70 1 8 LYS H 1 109 LEU H 1.800 . 5.000 2.899 2.490 3.165 . 0 0 "[ . 1 . 2]" 1
71 1 8 LYS H 1 110 ARG HA 1.800 . 5.000 3.721 3.301 4.237 . 0 0 "[ . 1 . 2]" 1
72 1 8 LYS H 1 110 ARG QB 1.800 . 5.000 4.724 4.509 5.000 0.000 2 0 "[ . 1 . 2]" 1
73 1 8 LYS H 1 26 LEU MD1 1.800 . 5.000 3.716 2.811 4.693 . 0 0 "[ . 1 . 2]" 1
74 1 9 ASP HA 1 106 VAL MG1 1.800 . 5.000 2.930 2.616 3.243 . 0 0 "[ . 1 . 2]" 1
75 1 9 ASP HA 1 108 GLN HA 1.800 . 5.000 2.556 2.083 3.072 . 0 0 "[ . 1 . 2]" 1
76 1 9 ASP HA 1 108 GLN QE 1.800 . 5.000 3.224 2.457 3.673 . 0 0 "[ . 1 . 2]" 1
77 1 9 ASP HA 1 108 GLN QG 1.800 . 5.000 2.654 1.842 4.341 . 0 0 "[ . 1 . 2]" 1
78 1 9 ASP HA 1 109 LEU H 1.800 . 5.000 4.079 3.669 4.411 . 0 0 "[ . 1 . 2]" 1
79 1 9 ASP HA 1 10 ILE H 1.800 . 2.900 2.158 2.102 2.222 . 0 0 "[ . 1 . 2]" 1
80 1 9 ASP HA 1 11 CYS H 1.800 . 5.000 4.637 4.450 4.868 . 0 0 "[ . 1 . 2]" 1
81 1 9 ASP QB 1 106 VAL MG1 1.800 . 5.000 2.196 1.795 3.716 0.005 2 0 "[ . 1 . 2]" 1
82 1 9 ASP H 1 108 GLN HE21 1.800 . 5.000 3.957 3.037 5.003 0.003 18 0 "[ . 1 . 2]" 1
83 1 9 ASP H 1 108 GLN HE22 1.800 . 5.000 4.532 2.984 5.013 0.013 13 0 "[ . 1 . 2]" 1
84 1 9 ASP H 1 10 ILE MD 1.800 . 5.000 4.589 4.191 4.834 . 0 0 "[ . 1 . 2]" 1
85 1 10 ILE HB 1 107 VAL HB 1.800 . 5.000 2.509 2.359 2.769 . 0 0 "[ . 1 . 2]" 1
86 1 10 ILE HB 1 107 VAL MG1 1.800 . 5.000 3.359 3.057 3.660 . 0 0 "[ . 1 . 2]" 1
87 1 10 ILE HB 1 107 VAL H 1.800 . 5.000 4.331 4.051 4.580 . 0 0 "[ . 1 . 2]" 1
88 1 10 ILE HB 1 108 GLN HA 1.800 . 5.000 4.700 4.352 5.007 0.007 17 0 "[ . 1 . 2]" 1
89 1 10 ILE HB 1 24 ALA MB 1.800 . 5.000 4.140 3.876 4.675 . 0 0 "[ . 1 . 2]" 1
90 1 10 ILE HB 1 33 ILE MD 1.800 . 5.000 3.126 2.794 3.398 . 0 0 "[ . 1 . 2]" 1
91 1 10 ILE MD 1 107 VAL HB 1.800 . 5.000 5.011 5.006 5.017 0.017 15 0 "[ . 1 . 2]" 1
92 1 10 ILE MD 1 107 VAL MG1 1.800 . 5.000 4.454 4.345 4.587 . 0 0 "[ . 1 . 2]" 1
93 1 10 ILE MD 1 108 GLN HA 1.800 . 5.000 4.220 3.855 4.768 . 0 0 "[ . 1 . 2]" 1
94 1 10 ILE MD 1 109 LEU QB 1.800 . 5.000 2.732 2.065 3.100 . 0 0 "[ . 1 . 2]" 1
95 1 10 ILE MD 1 109 LEU MD1 1.800 . 5.000 2.242 1.998 3.580 . 0 0 "[ . 1 . 2]" 1
96 1 10 ILE MD 1 109 LEU HG 1.800 . 5.000 2.937 2.367 3.909 . 0 0 "[ . 1 . 2]" 1
97 1 10 ILE MD 1 24 ALA HA 1.800 . 5.000 4.427 3.182 4.977 . 0 0 "[ . 1 . 2]" 1
98 1 10 ILE MD 1 24 ALA MB 1.800 . 5.000 2.351 1.799 3.007 0.001 10 0 "[ . 1 . 2]" 1
99 1 10 ILE MD 1 25 LEU H 1.800 . 5.000 3.549 2.921 4.431 . 0 0 "[ . 1 . 2]" 1
100 1 10 ILE MD 1 26 LEU HA 1.800 . 5.000 3.920 2.574 4.828 . 0 0 "[ . 1 . 2]" 1
101 1 10 ILE MD 1 26 LEU MD1 1.800 . 5.000 3.285 2.127 3.986 . 0 0 "[ . 1 . 2]" 1
102 1 10 ILE MD 1 31 VAL MG1 1.800 . 5.000 4.751 4.514 4.954 . 0 0 "[ . 1 . 2]" 1
103 1 10 ILE MD 1 31 VAL MG2 1.800 . 5.000 4.542 4.126 4.920 . 0 0 "[ . 1 . 2]" 1
104 1 10 ILE MD 1 33 ILE MD 1.800 . 5.000 3.164 2.827 3.515 . 0 0 "[ . 1 . 2]" 1
105 1 10 ILE HG13 1 107 VAL MG1 1.800 . 5.000 3.387 3.233 3.662 . 0 0 "[ . 1 . 2]" 1
106 1 10 ILE HG13 1 108 GLN HA 1.800 . 5.000 4.594 4.147 5.003 0.003 18 0 "[ . 1 . 2]" 1
107 1 10 ILE HG13 1 109 LEU H 1.800 . 5.000 4.432 3.961 4.737 . 0 0 "[ . 1 . 2]" 1
108 1 10 ILE HG13 1 33 ILE MD 1.800 . 5.000 2.072 1.849 2.327 . 0 0 "[ . 1 . 2]" 1
109 1 10 ILE HG12 1 107 VAL MG1 1.800 . 5.000 3.495 3.282 3.702 . 0 0 "[ . 1 . 2]" 1
110 1 10 ILE HG12 1 108 GLN HA 1.800 . 5.000 3.095 2.642 3.603 . 0 0 "[ . 1 . 2]" 1
111 1 10 ILE HG12 1 109 LEU H 1.800 . 5.000 3.302 2.941 3.577 . 0 0 "[ . 1 . 2]" 1
112 1 10 ILE HG12 1 33 ILE MD 1.800 . 5.000 3.466 3.189 3.750 . 0 0 "[ . 1 . 2]" 1
113 1 10 ILE QG 1 108 GLN HA 1.800 . 5.000 3.048 2.614 3.525 . 0 0 "[ . 1 . 2]" 1
114 1 10 ILE QG 1 109 LEU HA 1.800 . 5.000 4.704 4.200 5.007 0.007 16 0 "[ . 1 . 2]" 1
115 1 10 ILE MG 1 107 VAL HB 1.800 . 5.000 3.868 3.643 4.242 . 0 0 "[ . 1 . 2]" 1
116 1 10 ILE MG 1 24 ALA HA 1.800 . 5.000 3.558 2.653 4.283 . 0 0 "[ . 1 . 2]" 1
117 1 10 ILE MG 1 24 ALA MB 1.800 . 5.000 2.034 1.793 2.454 0.007 9 0 "[ . 1 . 2]" 1
118 1 10 ILE MG 1 25 LEU H 1.800 . 5.000 3.703 2.738 4.479 . 0 0 "[ . 1 . 2]" 1
119 1 10 ILE MG 1 11 CYS HA 1.800 . 5.000 4.066 3.921 4.224 . 0 0 "[ . 1 . 2]" 1
120 1 10 ILE MG 1 11 CYS HB3 1.800 . 5.000 3.488 2.714 4.372 . 0 0 "[ . 1 . 2]" 1
121 1 10 ILE MG 1 11 CYS HB2 1.800 . 5.000 3.539 2.572 4.386 . 0 0 "[ . 1 . 2]" 1
122 1 10 ILE H 1 106 VAL MG1 1.800 . 5.000 3.084 2.637 3.299 . 0 0 "[ . 1 . 2]" 1
123 1 10 ILE H 1 107 VAL HB 1.800 . 5.000 3.626 3.311 4.055 . 0 0 "[ . 1 . 2]" 1
124 1 10 ILE H 1 108 GLN HA 1.800 . 5.000 3.042 2.718 3.449 . 0 0 "[ . 1 . 2]" 1
125 1 10 ILE H 1 33 ILE MD 1.800 . 5.000 4.854 4.654 5.011 0.011 11 0 "[ . 1 . 2]" 1
126 1 10 ILE H 1 11 CYS H 1.800 . 3.500 2.701 2.482 3.006 . 0 0 "[ . 1 . 2]" 1
127 1 11 CYS QB 1 15 ASP H 1.800 . 5.000 4.648 4.320 5.004 0.004 19 0 "[ . 1 . 2]" 1
128 1 11 CYS H 1 106 VAL HA 1.800 . 5.000 4.800 4.320 5.005 0.005 16 0 "[ . 1 . 2]" 1
129 1 11 CYS H 1 107 VAL HB 1.800 . 5.000 2.582 2.250 2.773 . 0 0 "[ . 1 . 2]" 1
130 1 11 CYS H 1 107 VAL MG1 1.800 . 5.000 4.082 3.773 4.230 . 0 0 "[ . 1 . 2]" 1
131 1 11 CYS H 1 107 VAL MG2 1.800 . 5.000 3.588 3.361 3.777 . 0 0 "[ . 1 . 2]" 1
132 1 11 CYS H 1 107 VAL H 1.800 . 5.000 3.213 2.900 3.417 . 0 0 "[ . 1 . 2]" 1
133 1 12 LYS HA 1 106 VAL MG2 1.800 . 5.000 3.145 2.702 3.525 . 0 0 "[ . 1 . 2]" 1
134 1 12 LYS HA 1 107 VAL H 1.800 . 5.000 2.853 2.523 3.114 . 0 0 "[ . 1 . 2]" 1
135 1 12 LYS HA 1 13 ILE H 1.800 . 3.500 2.291 2.219 2.368 . 0 0 "[ . 1 . 2]" 1
136 1 12 LYS HA 1 15 ASP H 1.800 . 5.000 4.742 4.557 4.906 . 0 0 "[ . 1 . 2]" 1
137 1 12 LYS HB3 1 14 ASP QB 1.800 . 5.000 2.966 2.514 3.439 . 0 0 "[ . 1 . 2]" 1
138 1 12 LYS HB3 1 14 ASP H 1.800 . 5.000 2.478 2.172 2.835 . 0 0 "[ . 1 . 2]" 1
139 1 12 LYS HB3 1 15 ASP H 1.800 . 5.000 3.836 3.150 4.285 . 0 0 "[ . 1 . 2]" 1
140 1 12 LYS HB2 1 14 ASP QB 1.800 . 5.000 3.100 2.530 4.413 . 0 0 "[ . 1 . 2]" 1
141 1 12 LYS HB2 1 14 ASP H 1.800 . 5.000 3.223 2.734 4.376 . 0 0 "[ . 1 . 2]" 1
142 1 12 LYS HB2 1 15 ASP H 1.800 . 5.000 3.513 2.905 4.909 . 0 0 "[ . 1 . 2]" 1
143 1 12 LYS QB 1 106 VAL HA 1.800 . 5.000 3.806 3.425 4.190 . 0 0 "[ . 1 . 2]" 1
144 1 12 LYS QB 1 107 VAL H 1.800 . 5.000 4.863 4.564 5.014 0.014 12 0 "[ . 1 . 2]" 1
145 1 12 LYS QB 1 14 ASP HA 1.800 . 5.000 4.636 4.333 5.010 0.010 19 0 "[ . 1 . 2]" 1
146 1 12 LYS QD 1 106 VAL HA 1.800 . 5.000 4.784 2.850 5.015 0.015 15 0 "[ . 1 . 2]" 1
147 1 12 LYS QD 1 106 VAL MG1 1.800 . 5.000 4.902 3.937 5.014 0.014 7 0 "[ . 1 . 2]" 1
148 1 12 LYS QD 1 106 VAL MG2 1.800 . 5.000 3.546 2.291 4.006 . 0 0 "[ . 1 . 2]" 1
149 1 12 LYS QD 1 14 ASP HB3 1.800 . 5.000 3.974 2.860 5.003 0.003 2 0 "[ . 1 . 2]" 1
150 1 12 LYS QD 1 14 ASP HB2 1.800 . 5.000 3.924 2.195 4.731 . 0 0 "[ . 1 . 2]" 1
151 1 12 LYS QD 1 14 ASP H 1.800 . 5.000 4.172 2.191 4.757 . 0 0 "[ . 1 . 2]" 1
152 1 12 LYS QE 1 106 VAL MG2 1.800 . 5.000 3.491 2.326 5.003 0.003 20 0 "[ . 1 . 2]" 1
153 1 12 LYS QG 1 106 VAL HA 1.800 . 5.000 3.087 2.752 3.628 . 0 0 "[ . 1 . 2]" 1
154 1 12 LYS QG 1 106 VAL MG2 1.800 . 5.000 2.208 1.795 2.879 0.005 13 0 "[ . 1 . 2]" 1
155 1 12 LYS QG 1 107 VAL H 1.800 . 5.000 4.574 4.303 5.010 0.010 12 0 "[ . 1 . 2]" 1
156 1 12 LYS QG 1 14 ASP H 1.800 . 5.000 4.159 2.005 4.606 . 0 0 "[ . 1 . 2]" 1
157 1 12 LYS H 1 106 VAL HA 1.800 . 5.000 4.506 4.177 4.750 . 0 0 "[ . 1 . 2]" 1
158 1 12 LYS H 1 107 VAL H 1.800 . 5.000 4.622 4.425 4.748 . 0 0 "[ . 1 . 2]" 1
159 1 12 LYS H 1 14 ASP H 1.800 . 5.000 4.746 4.363 5.002 0.002 14 0 "[ . 1 . 2]" 1
160 1 12 LYS H 1 15 ASP HB3 1.800 . 5.000 4.326 3.440 5.007 0.007 14 0 "[ . 1 . 2]" 1
161 1 12 LYS H 1 15 ASP HB2 1.800 . 5.000 3.876 3.314 5.019 0.019 18 0 "[ . 1 . 2]" 1
162 1 12 LYS H 1 15 ASP H 1.800 . 5.000 4.211 3.656 4.499 . 0 0 "[ . 1 . 2]" 1
163 1 13 ILE HA 1 107 VAL MG2 1.800 . 5.000 2.615 2.346 2.906 . 0 0 "[ . 1 . 2]" 1
164 1 13 ILE HA 1 107 VAL H 1.800 . 5.000 4.691 4.226 5.008 0.008 18 0 "[ . 1 . 2]" 1
165 1 13 ILE HA 1 35 ARG QD 1.800 . 5.000 4.358 4.055 4.773 . 0 0 "[ . 1 . 2]" 1
166 1 13 ILE HA 1 42 VAL MG1 1.800 . 5.000 4.516 4.224 4.999 . 0 0 "[ . 1 . 2]" 1
167 1 13 ILE HB 1 105 GLY QA 1.800 . 5.000 3.685 3.205 4.219 . 0 0 "[ . 1 . 2]" 1
168 1 13 ILE HB 1 107 VAL MG2 1.800 . 5.000 2.848 2.342 3.390 . 0 0 "[ . 1 . 2]" 1
169 1 13 ILE HB 1 102 VAL MG1 1.800 . 5.000 2.499 2.188 3.035 . 0 0 "[ . 1 . 2]" 1
170 1 13 ILE HB 1 102 VAL MG2 1.800 . 5.000 2.959 2.265 3.444 . 0 0 "[ . 1 . 2]" 1
171 1 13 ILE MD 1 107 VAL HA 1.800 . 5.000 4.749 4.232 5.012 0.012 15 0 "[ . 1 . 2]" 1
172 1 13 ILE MD 1 107 VAL MG2 1.800 . 5.000 2.815 2.198 3.576 . 0 0 "[ . 1 . 2]" 1
173 1 13 ILE MD 1 16 ILE HB 1.800 . 5.000 3.315 1.905 4.789 . 0 0 "[ . 1 . 2]" 1
174 1 13 ILE MD 1 35 ARG QD 1.800 . 5.000 2.277 1.798 3.060 0.002 12 0 "[ . 1 . 2]" 1
175 1 13 ILE MD 1 35 ARG HE 1.800 . 5.000 3.128 2.527 3.921 . 0 0 "[ . 1 . 2]" 1
176 1 13 ILE MD 1 35 ARG QG 1.800 . 5.000 3.108 2.825 3.612 . 0 0 "[ . 1 . 2]" 1
177 1 13 ILE MD 1 40 ASP QB 1.800 . 5.000 3.732 2.570 4.817 . 0 0 "[ . 1 . 2]" 1
178 1 13 ILE MD 1 102 VAL MG1 1.800 . 5.000 3.039 2.288 4.257 . 0 0 "[ . 1 . 2]" 1
179 1 13 ILE MD 1 102 VAL MG2 1.800 . 5.000 2.126 1.793 3.171 0.007 9 0 "[ . 1 . 2]" 1
180 1 13 ILE HG13 1 107 VAL MG2 1.800 . 5.000 3.976 2.847 4.818 . 0 0 "[ . 1 . 2]" 1
181 1 13 ILE HG13 1 40 ASP HA 1.800 . 5.000 4.615 4.235 5.002 0.002 8 0 "[ . 1 . 2]" 1
182 1 13 ILE HG13 1 102 VAL MG1 1.800 . 5.000 4.397 4.019 4.892 . 0 0 "[ . 1 . 2]" 1
183 1 13 ILE HG12 1 107 VAL MG2 1.800 . 5.000 4.393 3.852 4.775 . 0 0 "[ . 1 . 2]" 1
184 1 13 ILE HG12 1 40 ASP HA 1.800 . 5.000 3.688 2.756 4.892 . 0 0 "[ . 1 . 2]" 1
185 1 13 ILE HG12 1 102 VAL MG1 1.800 . 5.000 3.726 2.922 4.596 . 0 0 "[ . 1 . 2]" 1
186 1 13 ILE QG 1 107 VAL MG2 1.800 . 5.000 3.614 2.800 4.273 . 0 0 "[ . 1 . 2]" 1
187 1 13 ILE MG 1 105 GLY HA3 1.800 . 5.000 3.260 2.988 3.605 . 0 0 "[ . 1 . 2]" 1
188 1 13 ILE MG 1 105 GLY HA2 1.800 . 5.000 2.531 2.293 2.860 . 0 0 "[ . 1 . 2]" 1
189 1 13 ILE MG 1 105 GLY H 1.800 . 5.000 4.458 4.159 4.830 . 0 0 "[ . 1 . 2]" 1
190 1 13 ILE MG 1 106 VAL HA 1.800 . 5.000 4.456 4.098 4.882 . 0 0 "[ . 1 . 2]" 1
191 1 13 ILE MG 1 107 VAL MG2 1.800 . 5.000 3.990 3.602 4.388 . 0 0 "[ . 1 . 2]" 1
192 1 13 ILE MG 1 15 ASP H 1.800 . 5.000 4.486 4.333 4.695 . 0 0 "[ . 1 . 2]" 1
193 1 13 ILE MG 1 40 ASP HA 1.800 . 5.000 4.349 3.707 5.004 0.004 10 0 "[ . 1 . 2]" 1
194 1 13 ILE H 1 105 GLY HA3 1.800 . 5.000 4.147 3.925 4.311 . 0 0 "[ . 1 . 2]" 1
195 1 13 ILE H 1 105 GLY HA2 1.800 . 5.000 3.809 3.605 3.983 . 0 0 "[ . 1 . 2]" 1
196 1 13 ILE H 1 106 VAL HA 1.800 . 5.000 3.081 2.631 3.454 . 0 0 "[ . 1 . 2]" 1
197 1 13 ILE H 1 106 VAL H 1.800 . 5.000 4.663 4.400 4.885 . 0 0 "[ . 1 . 2]" 1
198 1 13 ILE H 1 107 VAL MG2 1.800 . 5.000 3.194 2.862 3.529 . 0 0 "[ . 1 . 2]" 1
199 1 13 ILE H 1 107 VAL H 1.800 . 5.000 3.775 3.528 4.092 . 0 0 "[ . 1 . 2]" 1
200 1 13 ILE H 1 14 ASP QB 1.800 . 5.000 4.341 4.083 4.720 . 0 0 "[ . 1 . 2]" 1
201 1 13 ILE H 1 102 VAL MG1 1.800 . 5.000 3.662 3.355 3.915 . 0 0 "[ . 1 . 2]" 1
202 1 14 ASP HA 1 16 ILE H 1.800 . 5.000 4.227 3.615 4.901 . 0 0 "[ . 1 . 2]" 1
203 1 14 ASP H 1 107 VAL MG2 1.800 . 5.000 4.738 4.434 4.954 . 0 0 "[ . 1 . 2]" 1
204 1 15 ASP HA 1 16 ILE H 1.800 . 3.500 3.456 3.296 3.518 0.018 5 0 "[ . 1 . 2]" 1
205 1 16 ILE HA 1 17 LEU H 1.800 . 2.900 2.154 2.117 2.214 . 0 0 "[ . 1 . 2]" 1
206 1 16 ILE HA 1 20 THR HG1 1.800 . 5.000 4.837 3.942 5.010 0.010 1 0 "[ . 1 . 2]" 1
207 1 16 ILE HA 1 20 THR MG 1.800 . 5.000 3.837 2.916 5.004 0.004 19 0 "[ . 1 . 2]" 1
208 1 16 ILE HA 1 22 VAL MG1 1.800 . 5.000 3.286 2.647 3.794 . 0 0 "[ . 1 . 2]" 1
209 1 16 ILE MD 1 107 VAL HB 1.800 . 5.000 3.652 3.202 4.023 . 0 0 "[ . 1 . 2]" 1
210 1 16 ILE MD 1 22 VAL H 1.800 . 5.000 4.143 3.919 4.398 . 0 0 "[ . 1 . 2]" 1
211 1 16 ILE MG 1 20 THR HB 1.800 . 5.000 2.748 2.133 4.088 . 0 0 "[ . 1 . 2]" 1
212 1 16 ILE MG 1 20 THR HG1 1.800 . 5.000 3.665 2.493 4.237 . 0 0 "[ . 1 . 2]" 1
213 1 16 ILE MG 1 20 THR MG 1.800 . 5.000 3.255 2.742 4.339 . 0 0 "[ . 1 . 2]" 1
214 1 16 ILE MG 1 21 GLY HA3 1.800 . 5.000 4.930 4.576 5.009 0.009 5 0 "[ . 1 . 2]" 1
215 1 16 ILE MG 1 21 GLY HA2 1.800 . 5.000 3.571 3.143 3.684 . 0 0 "[ . 1 . 2]" 1
216 1 16 ILE MG 1 21 GLY H 1.800 . 5.000 4.553 4.295 4.885 . 0 0 "[ . 1 . 2]" 1
217 1 16 ILE MG 1 35 ARG H 1.800 . 5.000 2.973 2.657 3.243 . 0 0 "[ . 1 . 2]" 1
218 1 17 LEU HB3 1 20 THR HG1 1.800 . 5.000 3.658 3.131 4.733 . 0 0 "[ . 1 . 2]" 1
219 1 17 LEU HB3 1 20 THR MG 1.800 . 5.000 4.523 3.105 5.004 0.004 6 0 "[ . 1 . 2]" 1
220 1 17 LEU HB2 1 20 THR HG1 1.800 . 5.000 2.621 2.075 3.946 . 0 0 "[ . 1 . 2]" 1
221 1 17 LEU HB2 1 20 THR MG 1.800 . 5.000 3.273 1.918 5.012 0.012 10 0 "[ . 1 . 2]" 1
222 1 17 LEU MD1 1 20 THR HG1 1.800 . 5.000 4.219 3.274 4.891 . 0 0 "[ . 1 . 2]" 1
223 1 17 LEU HG 1 20 THR HG1 1.800 . 5.000 4.373 2.069 4.950 . 0 0 "[ . 1 . 2]" 1
224 1 17 LEU HG 1 20 THR MG 1.800 . 5.000 4.008 2.823 4.483 . 0 0 "[ . 1 . 2]" 1
225 1 17 LEU H 1 20 THR HG1 1.800 . 5.000 3.363 2.518 3.825 . 0 0 "[ . 1 . 2]" 1
226 1 18 PRO HA 1 19 GLU H 1.800 . 2.900 2.165 2.096 2.226 . 0 0 "[ . 1 . 2]" 1
227 1 18 PRO HA 1 20 THR H 1.800 . 5.000 3.723 3.406 4.328 . 0 0 "[ . 1 . 2]" 1
228 1 18 PRO HA 1 35 ARG QD 1.800 . 5.000 2.857 2.331 3.300 . 0 0 "[ . 1 . 2]" 1
229 1 18 PRO HA 1 35 ARG QG 1.800 . 5.000 2.758 2.291 3.551 . 0 0 "[ . 1 . 2]" 1
230 1 18 PRO HA 1 38 HIS HA 1.800 . 5.000 3.594 3.023 4.262 . 0 0 "[ . 1 . 2]" 1
231 1 18 PRO QB 1 38 HIS HA 1.800 . 5.000 2.428 1.794 3.759 0.006 5 0 "[ . 1 . 2]" 1
232 1 18 PRO QB 1 38 HIS QB 1.800 . 5.000 3.435 1.830 4.087 . 0 0 "[ . 1 . 2]" 1
233 1 18 PRO QB 1 38 HIS HE1 1.800 . 5.000 4.118 2.910 5.010 0.010 11 0 "[ . 1 . 2]" 1
234 1 18 PRO HG3 1 38 HIS HA 1.800 . 5.000 3.013 2.040 4.031 . 0 0 "[ . 1 . 2]" 1
235 1 18 PRO HG2 1 38 HIS HA 1.800 . 5.000 4.207 3.024 5.015 0.015 7 0 "[ . 1 . 2]" 1
236 1 18 PRO QG 1 38 HIS HE1 1.800 . 5.000 4.267 3.247 5.014 0.014 7 0 "[ . 1 . 2]" 1
237 1 19 GLU HA 1 20 THR H 1.800 . 3.500 2.785 2.340 2.984 . 0 0 "[ . 1 . 2]" 1
238 1 19 GLU HA 1 36 PRO HA 1.800 . 5.000 2.521 2.043 2.842 . 0 0 "[ . 1 . 2]" 1
239 1 19 GLU HA 1 62 ILE MD 1.800 . 5.000 2.381 1.799 3.144 0.001 10 0 "[ . 1 . 2]" 1
240 1 19 GLU QG 1 37 TYR HA 1.800 . 5.000 4.692 4.078 5.015 0.015 1 0 "[ . 1 . 2]" 1
241 1 19 GLU H 1 20 THR H 1.800 . 3.500 2.708 2.421 3.287 . 0 0 "[ . 1 . 2]" 1
242 1 19 GLU H 1 35 ARG QD 1.800 . 5.000 4.247 3.815 4.719 . 0 0 "[ . 1 . 2]" 1
243 1 19 GLU H 1 36 PRO HA 1.800 . 5.000 3.177 2.290 4.144 . 0 0 "[ . 1 . 2]" 1
244 1 19 GLU H 1 62 ILE MD 1.800 . 5.000 4.037 3.479 4.597 . 0 0 "[ . 1 . 2]" 1
245 1 20 THR HA 1 21 GLY H 1.800 . 2.900 2.253 2.138 2.525 . 0 0 "[ . 1 . 2]" 1
246 1 20 THR HA 1 62 ILE MD 1.800 . 5.000 4.033 3.545 4.791 . 0 0 "[ . 1 . 2]" 1
247 1 20 THR H 1 35 ARG QB 1.800 . 5.000 2.963 2.671 3.402 . 0 0 "[ . 1 . 2]" 1
248 1 20 THR H 1 35 ARG QD 1.800 . 5.000 4.362 3.980 4.688 . 0 0 "[ . 1 . 2]" 1
249 1 20 THR H 1 35 ARG H 1.800 . 5.000 3.334 2.962 3.563 . 0 0 "[ . 1 . 2]" 1
250 1 20 THR H 1 36 PRO HA 1.800 . 5.000 4.189 3.837 4.384 . 0 0 "[ . 1 . 2]" 1
251 1 20 THR H 1 62 ILE MD 1.800 . 5.000 3.516 2.770 4.081 . 0 0 "[ . 1 . 2]" 1
252 1 21 GLY HA3 1 22 VAL H 1.800 . 3.500 3.065 2.992 3.178 . 0 0 "[ . 1 . 2]" 1
253 1 21 GLY HA3 1 34 PHE HA 1.800 . 5.000 3.067 2.646 3.349 . 0 0 "[ . 1 . 2]" 1
254 1 21 GLY HA3 1 35 ARG H 1.800 . 5.000 4.422 4.141 4.645 . 0 0 "[ . 1 . 2]" 1
255 1 21 GLY HA2 1 22 VAL H 1.800 . 3.500 2.194 2.145 2.236 . 0 0 "[ . 1 . 2]" 1
256 1 21 GLY HA2 1 34 PHE HA 1.800 . 5.000 2.079 1.800 2.248 0.000 13 0 "[ . 1 . 2]" 1
257 1 21 GLY HA2 1 35 ARG H 1.800 . 5.000 3.110 2.796 3.276 . 0 0 "[ . 1 . 2]" 1
258 1 21 GLY QA 1 34 PHE QD 1.800 . 5.000 2.287 1.999 2.498 . 0 0 "[ . 1 . 2]" 1
259 1 21 GLY QA 1 34 PHE H 1.800 . 5.000 4.333 3.995 4.507 . 0 0 "[ . 1 . 2]" 1
260 1 21 GLY H 1 22 VAL MG1 1.800 . 5.000 4.137 3.880 4.475 . 0 0 "[ . 1 . 2]" 1
261 1 21 GLY H 1 34 PHE QD 1.800 . 5.000 3.888 3.377 4.150 . 0 0 "[ . 1 . 2]" 1
262 1 21 GLY H 1 35 ARG H 1.800 . 5.000 4.843 4.488 4.959 . 0 0 "[ . 1 . 2]" 1
263 1 22 VAL HA 1 23 CYS H 1.800 . 2.900 2.413 2.249 2.573 . 0 0 "[ . 1 . 2]" 1
264 1 22 VAL HA 1 58 SER QB 1.800 . 5.000 3.010 2.462 3.915 . 0 0 "[ . 1 . 2]" 1
265 1 22 VAL MG2 1 34 PHE HA 1.800 . 5.000 4.514 4.214 4.711 . 0 0 "[ . 1 . 2]" 1
266 1 22 VAL H 1 33 ILE HB 1.800 . 5.000 3.261 3.083 3.617 . 0 0 "[ . 1 . 2]" 1
267 1 22 VAL H 1 34 PHE HA 1.800 . 5.000 3.541 3.221 3.654 . 0 0 "[ . 1 . 2]" 1
268 1 22 VAL H 1 34 PHE QD 1.800 . 5.000 4.674 4.363 4.978 . 0 0 "[ . 1 . 2]" 1
269 1 22 VAL H 1 58 SER HA 1.800 . 5.000 4.912 4.574 5.007 0.007 20 0 "[ . 1 . 2]" 1
270 1 22 VAL H 1 58 SER QB 1.800 . 5.000 3.849 3.228 4.695 . 0 0 "[ . 1 . 2]" 1
271 1 23 CYS HA 1 24 ALA H 1.800 . 3.500 2.154 2.108 2.220 . 0 0 "[ . 1 . 2]" 1
272 1 23 CYS HA 1 32 ALA HA 1.800 . 5.000 2.698 2.458 3.142 . 0 0 "[ . 1 . 2]" 1
273 1 23 CYS HA 1 33 ILE H 1.800 . 5.000 3.517 3.097 3.906 . 0 0 "[ . 1 . 2]" 1
274 1 24 ALA HA 1 25 LEU H 1.800 . 2.900 2.430 2.140 2.631 . 0 0 "[ . 1 . 2]" 1
275 1 24 ALA HA 1 33 ILE MD 1.800 . 5.000 4.486 4.159 4.826 . 0 0 "[ . 1 . 2]" 1
276 1 24 ALA MB 1 31 VAL MG1 1.800 . 5.000 3.559 2.894 3.850 . 0 0 "[ . 1 . 2]" 1
277 1 24 ALA MB 1 31 VAL MG2 1.800 . 5.000 3.923 3.142 4.300 . 0 0 "[ . 1 . 2]" 1
278 1 24 ALA MB 1 31 VAL H 1.800 . 5.000 3.689 3.376 4.012 . 0 0 "[ . 1 . 2]" 1
279 1 24 ALA H 1 31 VAL HB 1.800 . 5.000 3.794 3.176 4.151 . 0 0 "[ . 1 . 2]" 1
280 1 24 ALA H 1 31 VAL H 1.800 . 5.000 3.283 2.781 3.750 . 0 0 "[ . 1 . 2]" 1
281 1 24 ALA H 1 32 ALA HA 1.800 . 5.000 3.339 3.049 3.708 . 0 0 "[ . 1 . 2]" 1
282 1 24 ALA H 1 33 ILE MD 1.800 . 5.000 4.343 3.969 4.721 . 0 0 "[ . 1 . 2]" 1
283 1 25 LEU HA 1 26 LEU H 1.800 . 2.900 2.148 2.118 2.190 . 0 0 "[ . 1 . 2]" 1
284 1 25 LEU HA 1 30 GLN HA 1.800 . 5.000 2.664 2.305 2.958 . 0 0 "[ . 1 . 2]" 1
285 1 25 LEU HA 1 31 VAL MG2 1.800 . 5.000 3.692 3.264 4.223 . 0 0 "[ . 1 . 2]" 1
286 1 25 LEU HA 1 31 VAL H 1.800 . 5.000 3.048 2.666 3.547 . 0 0 "[ . 1 . 2]" 1
287 1 25 LEU QB 1 30 GLN HA 1.800 . 5.000 4.365 4.014 4.709 . 0 0 "[ . 1 . 2]" 1
288 1 25 LEU MD1 1 28 ASP HA 1.800 . 5.000 4.563 3.013 5.007 0.007 20 0 "[ . 1 . 2]" 1
289 1 25 LEU MD2 1 29 GLU H 1.800 . 5.000 4.389 3.109 4.999 . 0 0 "[ . 1 . 2]" 1
290 1 25 LEU MD2 1 30 GLN HA 1.800 . 5.000 2.496 1.798 3.996 0.002 18 0 "[ . 1 . 2]" 1
291 1 25 LEU MD2 1 31 VAL H 1.800 . 5.000 3.719 2.818 4.998 . 0 0 "[ . 1 . 2]" 1
292 1 25 LEU HG 1 30 GLN HA 1.800 . 5.000 4.243 3.038 4.848 . 0 0 "[ . 1 . 2]" 1
293 1 26 LEU HA 1 109 LEU MD1 1.800 . 5.000 4.468 3.735 4.962 . 0 0 "[ . 1 . 2]" 1
294 1 26 LEU HA 1 31 VAL MG2 1.800 . 5.000 4.196 3.863 4.449 . 0 0 "[ . 1 . 2]" 1
295 1 26 LEU HB3 1 31 VAL MG1 1.800 . 5.000 4.550 3.945 4.998 . 0 0 "[ . 1 . 2]" 1
296 1 26 LEU HB3 1 31 VAL MG2 1.800 . 5.000 2.316 1.875 2.597 . 0 0 "[ . 1 . 2]" 1
297 1 26 LEU HB2 1 31 VAL MG1 1.800 . 5.000 4.045 3.735 4.639 . 0 0 "[ . 1 . 2]" 1
298 1 26 LEU HB2 1 31 VAL MG2 1.800 . 5.000 2.310 2.007 2.623 . 0 0 "[ . 1 . 2]" 1
299 1 26 LEU QB 1 109 LEU MD1 1.800 . 5.000 2.864 2.381 3.182 . 0 0 "[ . 1 . 2]" 1
300 1 26 LEU QB 1 29 GLU H 1.800 . 5.000 3.950 3.543 4.648 . 0 0 "[ . 1 . 2]" 1
301 1 26 LEU MD1 1 110 ARG HA 1.800 . 5.000 3.793 3.189 4.976 . 0 0 "[ . 1 . 2]" 1
302 1 26 LEU MD1 1 111 GLY H 1.800 . 5.000 3.268 2.128 4.852 . 0 0 "[ . 1 . 2]" 1
303 1 26 LEU MD1 1 31 VAL MG2 1.800 . 5.000 3.131 2.162 4.016 . 0 0 "[ . 1 . 2]" 1
304 1 26 LEU MD1 1 98 TYR QE 1.800 . 5.000 4.401 2.857 5.005 0.005 1 0 "[ . 1 . 2]" 1
305 1 26 LEU MD2 1 110 ARG HA 1.800 . 5.000 4.297 3.499 5.010 0.010 6 0 "[ . 1 . 2]" 1
306 1 26 LEU MD2 1 111 GLY H 1.800 . 5.000 3.053 2.236 3.865 . 0 0 "[ . 1 . 2]" 1
307 1 26 LEU MD2 1 112 GLY QA 1.800 . 5.000 3.946 1.971 5.007 0.007 5 0 "[ . 1 . 2]" 1
308 1 26 LEU MD2 1 112 GLY H 1.800 . 5.000 3.695 1.829 5.000 . 0 0 "[ . 1 . 2]" 1
309 1 26 LEU MD2 1 31 VAL MG1 1.800 . 5.000 4.452 3.453 5.011 0.011 17 0 "[ . 1 . 2]" 1
310 1 26 LEU MD2 1 31 VAL MG2 1.800 . 5.000 3.071 2.460 3.590 . 0 0 "[ . 1 . 2]" 1
311 1 26 LEU MD2 1 98 TYR QD 1.800 . 5.000 3.285 2.220 4.900 . 0 0 "[ . 1 . 2]" 1
312 1 26 LEU MD2 1 98 TYR QE 1.800 . 5.000 2.998 2.003 4.890 . 0 0 "[ . 1 . 2]" 1
313 1 26 LEU HG 1 31 VAL MG2 1.800 . 5.000 4.229 3.866 4.520 . 0 0 "[ . 1 . 2]" 1
314 1 26 LEU H 1 29 GLU H 1.800 . 5.000 3.675 3.418 4.083 . 0 0 "[ . 1 . 2]" 1
315 1 26 LEU H 1 31 VAL MG2 1.800 . 5.000 2.696 2.223 3.026 . 0 0 "[ . 1 . 2]" 1
316 1 27 GLY HA3 1 28 ASP H 1.800 . 3.500 2.200 2.138 2.324 . 0 0 "[ . 1 . 2]" 1
317 1 27 GLY HA3 1 29 GLU H 1.800 . 5.000 3.523 3.172 3.944 . 0 0 "[ . 1 . 2]" 1
318 1 27 GLY HA2 1 28 ASP H 1.800 . 3.500 3.415 3.244 3.504 0.004 17 0 "[ . 1 . 2]" 1
319 1 27 GLY HA2 1 29 GLU H 1.800 . 5.000 4.701 4.384 5.005 0.005 3 0 "[ . 1 . 2]" 1
320 1 28 ASP H 1 29 GLU H 1.800 . 2.500 1.902 1.791 2.229 0.009 4 0 "[ . 1 . 2]" 1
321 1 29 GLU HA 1 30 GLN H 1.800 . 3.500 2.214 2.115 2.445 . 0 0 "[ . 1 . 2]" 1
322 1 29 GLU HB3 1 31 VAL MG2 1.800 . 5.000 3.592 2.555 5.021 0.021 20 0 "[ . 1 . 2]" 1
323 1 29 GLU HB2 1 31 VAL MG2 1.800 . 5.000 3.596 2.736 4.792 . 0 0 "[ . 1 . 2]" 1
324 1 30 GLN HA 1 31 VAL H 1.800 . 2.900 2.139 2.076 2.251 . 0 0 "[ . 1 . 2]" 1
325 1 30 GLN HA 1 47 ASN QD 1.800 . 5.000 4.537 3.625 5.009 0.009 7 0 "[ . 1 . 2]" 1
326 1 30 GLN QB 1 47 ASN H 1.800 . 5.000 3.702 2.946 4.799 . 0 0 "[ . 1 . 2]" 1
327 1 30 GLN QB 1 48 ILE MD 1.800 . 5.000 3.396 2.276 4.993 . 0 0 "[ . 1 . 2]" 1
328 1 30 GLN HE21 1 48 ILE MD 1.800 . 5.000 3.594 2.170 4.864 . 0 0 "[ . 1 . 2]" 1
329 1 30 GLN HE22 1 48 ILE MD 1.800 . 5.000 3.393 2.069 5.007 0.007 11 0 "[ . 1 . 2]" 1
330 1 30 GLN HG3 1 48 ILE MD 1.800 . 5.000 3.982 2.548 5.003 0.003 16 0 "[ . 1 . 2]" 1
331 1 30 GLN HG2 1 48 ILE MD 1.800 . 5.000 4.150 2.799 5.009 0.009 7 0 "[ . 1 . 2]" 1
332 1 30 GLN H 1 31 VAL MG2 1.800 . 5.000 4.323 3.944 4.689 . 0 0 "[ . 1 . 2]" 1
333 1 31 VAL HA 1 32 ALA H 1.800 . 3.500 2.174 2.135 2.262 . 0 0 "[ . 1 . 2]" 1
334 1 31 VAL HA 1 46 SER HA 1.800 . 5.000 2.916 2.499 3.288 . 0 0 "[ . 1 . 2]" 1
335 1 31 VAL HA 1 47 ASN H 1.800 . 5.000 2.846 2.241 3.625 . 0 0 "[ . 1 . 2]" 1
336 1 31 VAL HB 1 109 LEU MD1 1.800 . 5.000 2.747 2.294 3.721 . 0 0 "[ . 1 . 2]" 1
337 1 31 VAL HB 1 109 LEU MD2 1.800 . 5.000 4.608 3.958 5.001 0.001 4 0 "[ . 1 . 2]" 1
338 1 31 VAL HB 1 33 ILE MD 1.800 . 5.000 4.092 3.717 4.272 . 0 0 "[ . 1 . 2]" 1
339 1 31 VAL MG1 1 109 LEU MD1 1.800 . 5.000 1.941 1.796 2.488 0.004 17 0 "[ . 1 . 2]" 1
340 1 31 VAL MG1 1 109 LEU MD2 1.800 . 5.000 2.939 1.980 3.383 . 0 0 "[ . 1 . 2]" 1
341 1 31 VAL MG1 1 33 ILE HA 1.800 . 5.000 3.760 3.558 3.937 . 0 0 "[ . 1 . 2]" 1
342 1 31 VAL MG1 1 33 ILE MD 1.800 . 5.000 3.686 3.098 3.858 . 0 0 "[ . 1 . 2]" 1
343 1 31 VAL MG1 1 44 ALA HA 1.800 . 5.000 3.359 3.183 3.615 . 0 0 "[ . 1 . 2]" 1
344 1 31 VAL MG1 1 44 ALA MB 1.800 . 5.000 1.953 1.883 2.038 . 0 0 "[ . 1 . 2]" 1
345 1 31 VAL MG1 1 44 ALA H 1.800 . 5.000 4.976 4.860 5.009 0.009 20 0 "[ . 1 . 2]" 1
346 1 31 VAL MG1 1 45 ILE HA 1.800 . 5.000 3.798 3.455 4.113 . 0 0 "[ . 1 . 2]" 1
347 1 31 VAL MG1 1 46 SER HA 1.800 . 5.000 3.817 3.124 4.208 . 0 0 "[ . 1 . 2]" 1
348 1 31 VAL MG1 1 98 TYR HB3 1.800 . 5.000 3.682 3.210 4.150 . 0 0 "[ . 1 . 2]" 1
349 1 31 VAL MG1 1 98 TYR HB2 1.800 . 5.000 2.909 2.487 3.199 . 0 0 "[ . 1 . 2]" 1
350 1 31 VAL MG1 1 98 TYR QD 1.800 . 5.000 2.422 1.798 3.035 0.002 15 0 "[ . 1 . 2]" 1
351 1 31 VAL MG1 1 98 TYR QE 1.800 . 5.000 3.176 2.802 3.500 . 0 0 "[ . 1 . 2]" 1
352 1 31 VAL MG2 1 109 LEU MD1 1.800 . 5.000 2.695 2.059 2.991 . 0 0 "[ . 1 . 2]" 1
353 1 31 VAL MG2 1 109 LEU MD2 1.800 . 5.000 4.305 3.331 4.693 . 0 0 "[ . 1 . 2]" 1
354 1 31 VAL MG2 1 33 ILE MD 1.800 . 5.000 4.896 4.351 5.010 0.010 20 0 "[ . 1 . 2]" 1
355 1 31 VAL MG2 1 33 ILE QG 1.800 . 5.000 4.625 4.318 4.777 . 0 0 "[ . 1 . 2]" 1
356 1 31 VAL MG2 1 46 SER HA 1.800 . 5.000 3.830 2.993 4.361 . 0 0 "[ . 1 . 2]" 1
357 1 31 VAL MG2 1 98 TYR QD 1.800 . 5.000 3.283 2.960 3.540 . 0 0 "[ . 1 . 2]" 1
358 1 31 VAL MG2 1 98 TYR QE 1.800 . 5.000 2.819 2.503 3.164 . 0 0 "[ . 1 . 2]" 1
359 1 32 ALA MB 1 45 ILE H 1.800 . 5.000 3.118 2.852 3.243 . 0 0 "[ . 1 . 2]" 1
360 1 32 ALA MB 1 47 ASN HA 1.800 . 5.000 2.038 1.796 2.529 0.004 16 0 "[ . 1 . 2]" 1
361 1 32 ALA MB 1 58 SER HA 1.800 . 5.000 3.559 2.814 4.182 . 0 0 "[ . 1 . 2]" 1
362 1 32 ALA MB 1 58 SER QB 1.800 . 5.000 3.458 2.053 4.305 . 0 0 "[ . 1 . 2]" 1
363 1 32 ALA H 1 45 ILE QG 1.800 . 5.000 3.611 3.418 4.076 . 0 0 "[ . 1 . 2]" 1
364 1 32 ALA H 1 45 ILE H 1.800 . 5.000 3.151 2.950 3.428 . 0 0 "[ . 1 . 2]" 1
365 1 32 ALA H 1 47 ASN HA 1.800 . 5.000 3.597 3.192 4.101 . 0 0 "[ . 1 . 2]" 1
366 1 32 ALA H 1 47 ASN HB3 1.800 . 5.000 4.167 2.962 5.009 0.009 7 0 "[ . 1 . 2]" 1
367 1 32 ALA H 1 47 ASN HB2 1.800 . 5.000 3.191 2.499 5.001 0.001 7 0 "[ . 1 . 2]" 1
368 1 32 ALA H 1 47 ASN H 1.800 . 5.000 3.297 2.936 3.711 . 0 0 "[ . 1 . 2]" 1
369 1 33 ILE HA 1 34 PHE H 1.800 . 2.900 2.139 2.112 2.155 . 0 0 "[ . 1 . 2]" 1
370 1 33 ILE HA 1 43 PHE H 1.800 . 5.000 4.611 4.368 4.953 . 0 0 "[ . 1 . 2]" 1
371 1 33 ILE HA 1 44 ALA HA 1.800 . 4.000 2.418 2.133 2.605 . 0 0 "[ . 1 . 2]" 1
372 1 33 ILE HA 1 44 ALA MB 1.800 . 5.000 2.932 2.548 3.163 . 0 0 "[ . 1 . 2]" 1
373 1 33 ILE HA 1 45 ILE H 1.800 . 5.000 3.866 3.620 4.100 . 0 0 "[ . 1 . 2]" 1
374 1 33 ILE MD 1 107 VAL HB 1.800 . 5.000 3.404 3.114 3.807 . 0 0 "[ . 1 . 2]" 1
375 1 33 ILE MD 1 107 VAL MG1 1.800 . 5.000 2.108 1.819 2.591 . 0 0 "[ . 1 . 2]" 1
376 1 33 ILE MD 1 109 LEU MD1 1.800 . 5.000 1.951 1.796 4.018 0.004 5 0 "[ . 1 . 2]" 1
377 1 33 ILE MG 1 43 PHE H 1.800 . 5.000 3.728 3.472 4.100 . 0 0 "[ . 1 . 2]" 1
378 1 33 ILE MG 1 44 ALA HA 1.800 . 5.000 3.832 3.606 4.131 . 0 0 "[ . 1 . 2]" 1
379 1 33 ILE H 1 58 SER QB 1.800 . 5.000 4.718 3.369 5.007 0.007 4 0 "[ . 1 . 2]" 1
380 1 34 PHE HA 1 35 ARG H 1.800 . 2.900 2.144 2.126 2.178 . 0 0 "[ . 1 . 2]" 1
381 1 34 PHE QB 1 43 PHE H 1.800 . 5.000 3.510 3.266 3.814 . 0 0 "[ . 1 . 2]" 1
382 1 34 PHE QD 1 82 LEU MD1 1.800 . 5.000 3.914 3.467 4.805 . 0 0 "[ . 1 . 2]" 1
383 1 34 PHE QD 1 82 LEU MD2 1.800 . 5.000 2.685 2.293 3.185 . 0 0 "[ . 1 . 2]" 1
384 1 34 PHE H 1 42 VAL HB 1.800 . 5.000 4.314 3.971 5.012 0.012 16 0 "[ . 1 . 2]" 1
385 1 34 PHE H 1 43 PHE QB 1.800 . 5.000 3.855 3.534 4.157 . 0 0 "[ . 1 . 2]" 1
386 1 34 PHE H 1 43 PHE H 1.800 . 5.000 3.192 2.911 3.512 . 0 0 "[ . 1 . 2]" 1
387 1 34 PHE H 1 44 ALA HA 1.800 . 5.000 3.143 2.768 3.437 . 0 0 "[ . 1 . 2]" 1
388 1 34 PHE H 1 82 LEU MD2 1.800 . 5.000 4.375 4.043 4.858 . 0 0 "[ . 1 . 2]" 1
389 1 35 ARG HA 1 36 PRO HD3 1.800 . 5.000 2.091 1.913 2.309 . 0 0 "[ . 1 . 2]" 1
390 1 35 ARG HA 1 36 PRO HD2 1.800 . 5.000 2.400 2.140 2.525 . 0 0 "[ . 1 . 2]" 1
391 1 35 ARG HA 1 36 PRO HG3 1.800 . 5.000 4.284 4.108 4.389 . 0 0 "[ . 1 . 2]" 1
392 1 35 ARG HA 1 36 PRO HG2 1.800 . 5.000 4.441 4.312 4.486 . 0 0 "[ . 1 . 2]" 1
393 1 35 ARG HA 1 37 TYR H 1.800 . 5.000 3.590 3.359 3.885 . 0 0 "[ . 1 . 2]" 1
394 1 35 ARG HA 1 42 VAL HA 1.800 . 5.000 2.503 2.240 2.663 . 0 0 "[ . 1 . 2]" 1
395 1 35 ARG HA 1 42 VAL MG1 1.800 . 5.000 2.407 2.070 2.868 . 0 0 "[ . 1 . 2]" 1
396 1 35 ARG HA 1 43 PHE H 1.800 . 5.000 3.535 3.333 3.783 . 0 0 "[ . 1 . 2]" 1
397 1 35 ARG HE 1 39 SER H 1.800 . 5.000 4.145 2.672 4.548 . 0 0 "[ . 1 . 2]" 1
398 1 35 ARG HE 1 40 ASP HA 1.800 . 5.000 3.900 3.352 4.536 . 0 0 "[ . 1 . 2]" 1
399 1 35 ARG HE 1 41 GLN H 1.800 . 5.000 4.432 3.561 5.002 0.002 7 0 "[ . 1 . 2]" 1
400 1 35 ARG QG 1 37 TYR H 1.800 . 5.000 2.961 2.399 3.351 . 0 0 "[ . 1 . 2]" 1
401 1 35 ARG QH 1 38 HIS HA 1.800 . 5.000 3.351 2.744 4.089 . 0 0 "[ . 1 . 2]" 1
402 1 35 ARG QH 1 39 SER H 1.800 . 5.000 3.959 2.755 4.361 . 0 0 "[ . 1 . 2]" 1
403 1 35 ARG QH 1 40 ASP HA 1.800 . 5.000 3.678 2.681 4.486 . 0 0 "[ . 1 . 2]" 1
404 1 35 ARG H 1 36 PRO HD3 1.800 . 5.000 3.928 3.755 4.049 . 0 0 "[ . 1 . 2]" 1
405 1 35 ARG H 1 36 PRO HD2 1.800 . 5.000 4.972 4.771 5.014 0.014 2 0 "[ . 1 . 2]" 1
406 1 35 ARG H 1 62 ILE MD 1.800 . 5.000 3.749 3.165 4.658 . 0 0 "[ . 1 . 2]" 1
407 1 36 PRO HA 1 62 ILE MD 1.800 . 5.000 2.416 1.990 2.857 . 0 0 "[ . 1 . 2]" 1
408 1 36 PRO HA 1 62 ILE MG 1.800 . 5.000 3.121 2.253 3.853 . 0 0 "[ . 1 . 2]" 1
409 1 36 PRO HA 1 69 LEU MD1 1.800 . 5.000 4.028 3.332 4.836 . 0 0 "[ . 1 . 2]" 1
410 1 36 PRO HB3 1 62 ILE MD 1.800 . 5.000 2.310 1.800 3.072 . 0 0 "[ . 1 . 2]" 1
411 1 36 PRO HB3 1 62 ILE MG 1.800 . 5.000 2.332 1.795 3.552 0.005 5 0 "[ . 1 . 2]" 1
412 1 36 PRO HB3 1 69 LEU MD1 1.800 . 5.000 2.920 2.496 3.258 . 0 0 "[ . 1 . 2]" 1
413 1 36 PRO HB2 1 62 ILE MD 1.800 . 5.000 3.636 3.106 4.286 . 0 0 "[ . 1 . 2]" 1
414 1 36 PRO HB2 1 62 ILE MG 1.800 . 5.000 3.108 2.614 3.988 . 0 0 "[ . 1 . 2]" 1
415 1 36 PRO HB2 1 69 LEU MD1 1.800 . 5.000 1.972 1.789 2.815 0.011 12 0 "[ . 1 . 2]" 1
416 1 36 PRO QB 1 69 LEU MD2 1.800 . 5.000 3.285 2.409 3.936 . 0 0 "[ . 1 . 2]" 1
417 1 36 PRO QB 1 82 LEU MD1 1.800 . 5.000 2.622 2.070 3.442 . 0 0 "[ . 1 . 2]" 1
418 1 36 PRO HD3 1 42 VAL HA 1.800 . 5.000 2.831 2.469 3.390 . 0 0 "[ . 1 . 2]" 1
419 1 36 PRO HD3 1 43 PHE QD 1.800 . 5.000 2.828 2.332 3.315 . 0 0 "[ . 1 . 2]" 1
420 1 36 PRO HD3 1 43 PHE H 1.800 . 5.000 3.091 2.637 3.608 . 0 0 "[ . 1 . 2]" 1
421 1 36 PRO HD2 1 42 VAL HA 1.800 . 5.000 2.847 2.295 3.314 . 0 0 "[ . 1 . 2]" 1
422 1 36 PRO HD2 1 43 PHE QD 1.800 . 5.000 3.405 2.952 4.207 . 0 0 "[ . 1 . 2]" 1
423 1 36 PRO HD2 1 43 PHE H 1.800 . 5.000 4.169 3.765 4.514 . 0 0 "[ . 1 . 2]" 1
424 1 36 PRO QD 1 41 GLN QB 1.800 . 5.000 3.721 3.120 4.549 . 0 0 "[ . 1 . 2]" 1
425 1 36 PRO QD 1 42 VAL MG1 1.800 . 5.000 3.460 3.000 3.832 . 0 0 "[ . 1 . 2]" 1
426 1 36 PRO QD 1 43 PHE QE 1.800 . 5.000 3.668 3.013 4.234 . 0 0 "[ . 1 . 2]" 1
427 1 36 PRO QD 1 62 ILE MD 1.800 . 5.000 3.812 3.416 4.626 . 0 0 "[ . 1 . 2]" 1
428 1 36 PRO QD 1 82 LEU MD1 1.800 . 5.000 3.477 2.974 3.921 . 0 0 "[ . 1 . 2]" 1
429 1 36 PRO QG 1 43 PHE QD 1.800 . 5.000 2.232 1.798 2.865 0.002 13 0 "[ . 1 . 2]" 1
430 1 36 PRO QG 1 43 PHE QE 1.800 . 5.000 2.691 2.255 3.624 . 0 0 "[ . 1 . 2]" 1
431 1 36 PRO QG 1 69 LEU MD1 1.800 . 5.000 2.422 1.801 3.139 . 0 0 "[ . 1 . 2]" 1
432 1 36 PRO QG 1 82 LEU MD1 1.800 . 5.000 2.409 1.926 2.852 . 0 0 "[ . 1 . 2]" 1
433 1 37 TYR HA 1 38 HIS H 1.800 . 3.500 2.392 2.152 2.675 . 0 0 "[ . 1 . 2]" 1
434 1 37 TYR HA 1 39 SER H 1.800 . 5.000 3.898 3.667 4.253 . 0 0 "[ . 1 . 2]" 1
435 1 37 TYR HB3 1 39 SER H 1.800 . 5.000 2.304 1.978 3.435 . 0 0 "[ . 1 . 2]" 1
436 1 37 TYR HB2 1 39 SER H 1.800 . 5.000 3.030 2.592 3.444 . 0 0 "[ . 1 . 2]" 1
437 1 37 TYR QB 1 41 GLN H 1.800 . 5.000 3.303 2.688 4.053 . 0 0 "[ . 1 . 2]" 1
438 1 37 TYR QD 1 41 GLN QB 1.800 . 5.000 2.299 1.870 3.167 . 0 0 "[ . 1 . 2]" 1
439 1 37 TYR QD 1 41 GLN QG 1.800 . 5.000 3.584 2.388 4.254 . 0 0 "[ . 1 . 2]" 1
440 1 37 TYR QD 1 69 LEU MD1 1.800 . 5.000 3.351 3.056 3.601 . 0 0 "[ . 1 . 2]" 1
441 1 37 TYR QD 1 69 LEU MD2 1.800 . 5.000 4.842 3.958 5.009 0.009 16 0 "[ . 1 . 2]" 1
442 1 37 TYR QE 1 41 GLN QB 1.800 . 5.000 3.648 2.915 5.004 0.004 18 0 "[ . 1 . 2]" 1
443 1 37 TYR QE 1 43 PHE QE 1.800 . 5.000 2.390 1.799 3.618 0.001 19 0 "[ . 1 . 2]" 1
444 1 37 TYR QE 1 69 LEU MD1 1.800 . 5.000 2.525 1.864 2.903 . 0 0 "[ . 1 . 2]" 1
445 1 37 TYR QE 1 69 LEU MD2 1.800 . 5.000 3.971 2.874 4.496 . 0 0 "[ . 1 . 2]" 1
446 1 37 TYR H 1 39 SER H 1.800 . 5.000 4.685 4.382 4.987 . 0 0 "[ . 1 . 2]" 1
447 1 37 TYR H 1 41 GLN QB 1.800 . 5.000 4.042 3.120 4.779 . 0 0 "[ . 1 . 2]" 1
448 1 37 TYR H 1 69 LEU MD1 1.800 . 5.000 4.336 3.642 4.956 . 0 0 "[ . 1 . 2]" 1
449 1 38 HIS HA 1 39 SER H 1.800 . 3.500 3.288 2.553 3.439 . 0 0 "[ . 1 . 2]" 1
450 1 39 SER HA 1 40 ASP H 1.800 . 3.500 2.885 2.688 3.505 0.005 7 0 "[ . 1 . 2]" 1
451 1 39 SER HB3 1 41 GLN H 1.800 . 5.000 4.006 2.567 4.867 . 0 0 "[ . 1 . 2]" 1
452 1 39 SER HB2 1 41 GLN H 1.800 . 5.000 3.220 2.404 4.289 . 0 0 "[ . 1 . 2]" 1
453 1 39 SER H 1 41 GLN H 1.800 . 5.000 4.006 3.455 4.473 . 0 0 "[ . 1 . 2]" 1
454 1 40 ASP HA 1 102 VAL HB 1.800 . 5.000 4.554 3.819 5.004 0.004 19 0 "[ . 1 . 2]" 1
455 1 40 ASP HA 1 102 VAL MG2 1.800 . 5.000 2.864 2.483 3.483 . 0 0 "[ . 1 . 2]" 1
456 1 40 ASP QB 1 102 VAL HB 1.800 . 5.000 2.587 1.886 3.259 . 0 0 "[ . 1 . 2]" 1
457 1 40 ASP QB 1 102 VAL MG1 1.800 . 5.000 2.934 2.228 4.128 . 0 0 "[ . 1 . 2]" 1
458 1 40 ASP QB 1 102 VAL MG2 1.800 . 5.000 2.346 1.797 3.312 0.003 11 0 "[ . 1 . 2]" 1
459 1 41 GLN HA 1 42 VAL H 1.800 . 2.900 2.138 2.096 2.182 . 0 0 "[ . 1 . 2]" 1
460 1 41 GLN HA 1 102 VAL MG2 1.800 . 5.000 4.160 3.215 4.764 . 0 0 "[ . 1 . 2]" 1
461 1 41 GLN QG 1 43 PHE QE 1.800 . 5.000 4.239 2.585 5.005 0.005 6 0 "[ . 1 . 2]" 1
462 1 42 VAL HA 1 43 PHE H 1.800 . 3.500 2.311 2.179 2.399 . 0 0 "[ . 1 . 2]" 1
463 1 42 VAL HB 1 100 ALA MB 1.800 . 5.000 3.573 2.443 4.020 . 0 0 "[ . 1 . 2]" 1
464 1 42 VAL HB 1 102 VAL MG2 1.800 . 5.000 4.661 4.358 5.007 0.007 12 0 "[ . 1 . 2]" 1
465 1 42 VAL MG2 1 100 ALA MB 1.800 . 5.000 2.134 1.900 3.283 . 0 0 "[ . 1 . 2]" 1
466 1 42 VAL MG2 1 101 ARG HA 1.800 . 5.000 3.454 2.698 4.297 . 0 0 "[ . 1 . 2]" 1
467 1 42 VAL MG2 1 102 VAL MG2 1.800 . 5.000 2.444 2.126 2.769 . 0 0 "[ . 1 . 2]" 1
468 1 42 VAL H 1 43 PHE QD 1.800 . 5.000 4.954 4.787 5.012 0.012 14 0 "[ . 1 . 2]" 1
469 1 42 VAL H 1 100 ALA MB 1.800 . 5.000 4.239 3.705 4.822 . 0 0 "[ . 1 . 2]" 1
470 1 42 VAL H 1 101 ARG HA 1.800 . 5.000 4.691 3.752 5.008 0.008 13 0 "[ . 1 . 2]" 1
471 1 42 VAL H 1 102 VAL MG2 1.800 . 5.000 3.813 3.233 4.372 . 0 0 "[ . 1 . 2]" 1
472 1 43 PHE HA 1 44 ALA H 1.800 . 2.900 2.256 2.145 2.347 . 0 0 "[ . 1 . 2]" 1
473 1 43 PHE HA 1 100 ALA MB 1.800 . 5.000 2.944 2.406 3.849 . 0 0 "[ . 1 . 2]" 1
474 1 43 PHE HB3 1 82 LEU QB 1.800 . 5.000 3.141 2.279 3.635 . 0 0 "[ . 1 . 2]" 1
475 1 43 PHE HB3 1 82 LEU MD1 1.800 . 5.000 4.236 3.000 5.005 0.005 14 0 "[ . 1 . 2]" 1
476 1 43 PHE HB3 1 82 LEU MD2 1.800 . 5.000 4.092 3.378 5.000 . 6 0 "[ . 1 . 2]" 1
477 1 43 PHE HB2 1 82 LEU QB 1.800 . 5.000 2.647 1.996 3.133 . 0 0 "[ . 1 . 2]" 1
478 1 43 PHE HB2 1 82 LEU MD1 1.800 . 5.000 3.097 2.139 3.851 . 0 0 "[ . 1 . 2]" 1
479 1 43 PHE HB2 1 82 LEU MD2 1.800 . 5.000 3.317 2.819 3.841 . 0 0 "[ . 1 . 2]" 1
480 1 43 PHE QB 1 82 LEU HA 1.800 . 5.000 3.835 3.497 4.428 . 0 0 "[ . 1 . 2]" 1
481 1 43 PHE QD 1 82 LEU QB 1.800 . 5.000 3.400 2.807 4.609 . 0 0 "[ . 1 . 2]" 1
482 1 43 PHE QD 1 82 LEU MD1 1.800 . 5.000 3.119 1.821 4.026 . 0 0 "[ . 1 . 2]" 1
483 1 43 PHE QD 1 82 LEU MD2 1.800 . 5.000 4.270 3.611 4.754 . 0 0 "[ . 1 . 2]" 1
484 1 43 PHE QD 1 83 SER HA 1.800 . 5.000 3.413 2.497 4.172 . 0 0 "[ . 1 . 2]" 1
485 1 43 PHE QE 1 83 SER QB 1.800 . 5.000 4.208 3.141 5.001 0.001 15 0 "[ . 1 . 2]" 1
486 1 43 PHE H 1 82 LEU MD2 1.800 . 5.000 4.937 4.613 5.007 0.007 17 0 "[ . 1 . 2]" 1
487 1 43 PHE H 1 100 ALA MB 1.800 . 5.000 4.231 3.802 4.656 . 0 0 "[ . 1 . 2]" 1
488 1 44 ALA HA 1 109 LEU MD2 1.800 . 5.000 4.228 4.023 4.565 . 0 0 "[ . 1 . 2]" 1
489 1 44 ALA HA 1 45 ILE H 1.800 . 2.900 2.140 2.113 2.183 . 0 0 "[ . 1 . 2]" 1
490 1 44 ALA MB 1 109 LEU MD1 1.800 . 5.000 2.838 2.515 3.660 . 0 0 "[ . 1 . 2]" 1
491 1 44 ALA MB 1 98 TYR HB3 1.800 . 5.000 3.257 2.858 3.764 . 0 0 "[ . 1 . 2]" 1
492 1 44 ALA MB 1 98 TYR HB2 1.800 . 5.000 2.094 1.799 2.540 0.001 16 0 "[ . 1 . 2]" 1
493 1 44 ALA MB 1 98 TYR QD 1.800 . 5.000 3.209 2.731 3.603 . 0 0 "[ . 1 . 2]" 1
494 1 44 ALA MB 1 98 TYR QE 1.800 . 5.000 4.874 4.499 5.008 0.008 10 0 "[ . 1 . 2]" 1
495 1 44 ALA MB 1 98 TYR H 1.800 . 5.000 3.330 3.038 3.795 . 0 0 "[ . 1 . 2]" 1
496 1 44 ALA H 1 109 LEU MD2 1.800 . 5.000 4.417 4.149 4.614 . 0 0 "[ . 1 . 2]" 1
497 1 44 ALA H 1 98 TYR QB 1.800 . 5.000 4.211 3.915 4.503 . 0 0 "[ . 1 . 2]" 1
498 1 44 ALA H 1 98 TYR H 1.800 . 5.000 4.056 3.498 4.376 . 0 0 "[ . 1 . 2]" 1
499 1 44 ALA H 1 100 ALA MB 1.800 . 5.000 3.213 2.923 3.770 . 0 0 "[ . 1 . 2]" 1
500 1 45 ILE HA 1 46 SER H 1.800 . 3.500 2.578 2.412 2.711 . 0 0 "[ . 1 . 2]" 1
501 1 45 ILE HA 1 95 VAL MG2 1.800 . 5.000 3.956 3.393 4.706 . 0 0 "[ . 1 . 2]" 1
502 1 45 ILE HA 1 97 HIS HA 1.800 . 5.000 2.499 1.994 3.040 . 0 0 "[ . 1 . 2]" 1
503 1 45 ILE HA 1 97 HIS QB 1.800 . 5.000 4.411 3.543 5.006 0.006 15 0 "[ . 1 . 2]" 1
504 1 45 ILE HA 1 98 TYR QD 1.800 . 5.000 2.539 2.217 2.941 . 0 0 "[ . 1 . 2]" 1
505 1 45 ILE HA 1 98 TYR QE 1.800 . 5.000 3.735 3.251 4.321 . 0 0 "[ . 1 . 2]" 1
506 1 45 ILE HA 1 98 TYR H 1.800 . 5.000 2.820 2.599 3.137 . 0 0 "[ . 1 . 2]" 1
507 1 45 ILE HB 1 95 VAL MG2 1.800 . 5.000 2.265 1.868 2.923 . 0 0 "[ . 1 . 2]" 1
508 1 45 ILE HB 1 97 HIS HA 1.800 . 5.000 3.908 3.398 4.332 . 0 0 "[ . 1 . 2]" 1
509 1 45 ILE MD 1 57 LEU MD1 1.800 . 5.000 2.657 2.314 3.839 . 0 0 "[ . 1 . 2]" 1
510 1 45 ILE MD 1 71 VAL MG1 1.800 . 5.000 2.650 2.335 3.226 . 0 0 "[ . 1 . 2]" 1
511 1 45 ILE MD 1 82 LEU HA 1.800 . 5.000 3.116 2.156 4.032 . 0 0 "[ . 1 . 2]" 1
512 1 45 ILE MD 1 82 LEU MD2 1.800 . 5.000 2.931 2.239 4.070 . 0 0 "[ . 1 . 2]" 1
513 1 45 ILE QG 1 82 LEU HA 1.800 . 5.000 4.470 3.672 5.004 0.004 14 0 "[ . 1 . 2]" 1
514 1 45 ILE MG 1 82 LEU HA 1.800 . 5.000 2.999 2.177 3.707 . 0 0 "[ . 1 . 2]" 1
515 1 45 ILE MG 1 82 LEU MD2 1.800 . 5.000 3.748 2.995 4.934 . 0 0 "[ . 1 . 2]" 1
516 1 45 ILE MG 1 85 GLY HA3 1.800 . 5.000 2.876 2.339 3.776 . 0 0 "[ . 1 . 2]" 1
517 1 45 ILE MG 1 85 GLY HA2 1.800 . 5.000 2.315 1.914 2.942 . 0 0 "[ . 1 . 2]" 1
518 1 45 ILE MG 1 85 GLY H 1.800 . 5.000 3.859 3.199 4.730 . 0 0 "[ . 1 . 2]" 1
519 1 45 ILE MG 1 97 HIS HA 1.800 . 5.000 2.373 1.799 2.803 0.001 4 0 "[ . 1 . 2]" 1
520 1 45 ILE MG 1 97 HIS HB3 1.800 . 5.000 4.322 2.491 4.916 . 0 0 "[ . 1 . 2]" 1
521 1 45 ILE MG 1 97 HIS HB2 1.800 . 5.000 3.120 2.417 3.750 . 0 0 "[ . 1 . 2]" 1
522 1 45 ILE MG 1 97 HIS HD2 1.800 . 5.000 2.741 1.811 5.006 0.006 7 0 "[ . 1 . 2]" 1
523 1 45 ILE MG 1 98 TYR H 1.800 . 5.000 3.478 3.057 3.897 . 0 0 "[ . 1 . 2]" 1
524 1 46 SER HA 1 47 ASN H 1.800 . 3.500 2.194 2.149 2.284 . 0 0 "[ . 1 . 2]" 1
525 1 46 SER HA 1 98 TYR QD 1.800 . 5.000 4.212 3.582 4.726 . 0 0 "[ . 1 . 2]" 1
526 1 46 SER HA 1 98 TYR QE 1.800 . 5.000 2.587 2.087 2.942 . 0 0 "[ . 1 . 2]" 1
527 1 46 SER HB3 1 95 VAL HB 1.800 . 5.000 3.257 1.802 4.402 . 0 0 "[ . 1 . 2]" 1
528 1 46 SER HB3 1 96 LYS H 1.800 . 5.000 3.581 2.563 4.536 . 0 0 "[ . 1 . 2]" 1
529 1 46 SER HB3 1 98 TYR QE 1.800 . 5.000 4.051 2.555 4.989 . 0 0 "[ . 1 . 2]" 1
530 1 46 SER HB2 1 95 VAL HB 1.800 . 5.000 2.781 1.798 3.955 0.002 17 0 "[ . 1 . 2]" 1
531 1 46 SER QB 1 95 VAL MG2 1.800 . 5.000 3.437 2.743 4.428 . 0 0 "[ . 1 . 2]" 1
532 1 46 SER HB2 1 96 LYS H 1.800 . 5.000 3.297 2.448 4.567 . 0 0 "[ . 1 . 2]" 1
533 1 46 SER HB2 1 98 TYR QE 1.800 . 5.000 4.122 2.444 4.996 . 0 0 "[ . 1 . 2]" 1
534 1 46 SER QB 1 48 ILE H 1.800 . 5.000 3.142 2.655 3.803 . 0 0 "[ . 1 . 2]" 1
535 1 46 SER QB 1 96 LYS QB 1.800 . 5.000 3.194 1.792 5.023 0.023 17 0 "[ . 1 . 2]" 1
536 1 46 SER H 1 95 VAL MG2 1.800 . 5.000 2.906 2.221 3.510 . 0 0 "[ . 1 . 2]" 1
537 1 46 SER H 1 96 LYS QB 1.800 . 5.000 3.790 2.925 5.006 0.006 17 0 "[ . 1 . 2]" 1
538 1 46 SER H 1 97 HIS HA 1.800 . 5.000 4.126 3.546 4.710 . 0 0 "[ . 1 . 2]" 1
539 1 46 SER H 1 98 TYR QE 1.800 . 5.000 3.369 2.685 4.118 . 0 0 "[ . 1 . 2]" 1
540 1 47 ASN HA 1 57 LEU QB 1.800 . 5.000 2.966 2.392 3.471 . 0 0 "[ . 1 . 2]" 1
541 1 47 ASN HA 1 57 LEU MD1 1.800 . 5.000 3.097 2.622 4.550 . 0 0 "[ . 1 . 2]" 1
542 1 47 ASN QB 1 48 ILE MD 1.800 . 5.000 3.822 2.657 5.000 . 0 0 "[ . 1 . 2]" 1
543 1 47 ASN QD 1 48 ILE MD 1.800 . 5.000 3.698 2.127 4.873 . 0 0 "[ . 1 . 2]" 1
544 1 47 ASN H 1 48 ILE QG 1.800 . 5.000 3.887 3.295 4.420 . 0 0 "[ . 1 . 2]" 1
545 1 47 ASN H 1 98 TYR QE 1.800 . 5.000 4.542 4.031 5.002 0.002 8 0 "[ . 1 . 2]" 1
546 1 48 ILE HA 1 49 ASP H 1.800 . 3.500 2.191 2.112 2.294 . 0 0 "[ . 1 . 2]" 1
547 1 48 ILE HA 1 55 SER HA 1.800 . 4.000 3.568 2.667 4.020 0.020 13 0 "[ . 1 . 2]" 1
548 1 48 ILE HA 1 56 VAL H 1.800 . 5.000 4.914 4.613 5.026 0.026 10 0 "[ . 1 . 2]" 1
549 1 48 ILE MD 1 55 SER HA 1.800 . 5.000 2.578 1.806 3.678 . 0 0 "[ . 1 . 2]" 1
550 1 48 ILE MD 1 55 SER HB3 1.800 . 5.000 3.913 2.476 4.845 . 0 0 "[ . 1 . 2]" 1
551 1 48 ILE MD 1 55 SER HB2 1.800 . 5.000 4.302 3.244 5.008 0.008 6 0 "[ . 1 . 2]" 1
552 1 48 ILE QG 1 55 SER HA 1.800 . 5.000 3.649 2.022 4.655 . 0 0 "[ . 1 . 2]" 1
553 1 48 ILE MG 1 50 PRO HA 1.800 . 5.000 3.723 3.054 4.430 . 0 0 "[ . 1 . 2]" 1
554 1 48 ILE MG 1 53 GLU HA 1.800 . 5.000 3.299 2.570 4.106 . 0 0 "[ . 1 . 2]" 1
555 1 48 ILE MG 1 53 GLU QB 1.800 . 5.000 4.362 3.170 5.017 0.017 11 0 "[ . 1 . 2]" 1
556 1 48 ILE MG 1 54 SER H 1.800 . 5.000 3.413 2.270 4.798 . 0 0 "[ . 1 . 2]" 1
557 1 48 ILE MG 1 55 SER HA 1.800 . 5.000 3.027 2.068 3.610 . 0 0 "[ . 1 . 2]" 1
558 1 49 ASP HA 1 57 LEU MD1 1.800 . 5.000 3.676 2.986 4.321 . 0 0 "[ . 1 . 2]" 1
559 1 49 ASP HA 1 57 LEU MD2 1.800 . 5.000 4.083 2.860 4.879 . 0 0 "[ . 1 . 2]" 1
560 1 49 ASP HA 1 95 VAL MG1 1.800 . 5.000 3.245 2.443 4.057 . 0 0 "[ . 1 . 2]" 1
561 1 49 ASP HB3 1 54 SER H 1.800 . 5.000 2.957 1.799 4.383 0.001 18 0 "[ . 1 . 2]" 1
562 1 49 ASP HB2 1 54 SER H 1.800 . 5.000 3.381 1.795 4.766 0.005 8 0 "[ . 1 . 2]" 1
563 1 49 ASP QB 1 52 PHE H 1.800 . 5.000 3.458 1.984 4.061 . 0 0 "[ . 1 . 2]" 1
564 1 49 ASP H 1 54 SER H 1.800 . 5.000 2.875 2.262 3.876 . 0 0 "[ . 1 . 2]" 1
565 1 49 ASP H 1 55 SER HA 1.800 . 5.000 4.538 3.188 5.008 0.008 1 0 "[ . 1 . 2]" 1
566 1 50 PRO HA 1 52 PHE H 1.800 . 5.000 4.920 4.304 5.009 0.009 18 0 "[ . 1 . 2]" 1
567 1 50 PRO HA 1 53 GLU H 1.800 . 5.000 4.161 3.667 4.546 . 0 0 "[ . 1 . 2]" 1
568 1 50 PRO QB 1 95 VAL MG1 1.800 . 5.000 4.410 2.926 5.007 0.007 2 0 "[ . 1 . 2]" 1
569 1 50 PRO QD 1 57 LEU MD1 1.800 . 5.000 4.378 3.272 5.006 0.006 5 0 "[ . 1 . 2]" 1
570 1 50 PRO QD 1 95 VAL MG1 1.800 . 5.000 2.389 1.846 3.170 . 0 0 "[ . 1 . 2]" 1
571 1 50 PRO HG3 1 95 VAL MG1 1.800 . 5.000 3.219 2.156 4.154 . 0 0 "[ . 1 . 2]" 1
572 1 50 PRO HG2 1 95 VAL MG1 1.800 . 5.000 3.584 2.208 4.682 . 0 0 "[ . 1 . 2]" 1
573 1 51 PHE H 1 53 GLU H 1.800 . 5.000 3.371 2.885 4.083 . 0 0 "[ . 1 . 2]" 1
574 1 52 PHE QE 1 76 LYS HB3 1.800 . 5.000 3.857 2.617 4.847 . 0 0 "[ . 1 . 2]" 1
575 1 52 PHE QE 1 76 LYS HB2 1.800 . 5.000 3.167 1.799 4.359 0.001 15 0 "[ . 1 . 2]" 1
576 1 52 PHE QE 1 76 LYS QD 1.800 . 5.000 3.487 2.437 4.539 . 0 0 "[ . 1 . 2]" 1
577 1 52 PHE QE 1 76 LYS HG3 1.800 . 5.000 3.536 2.359 4.913 . 0 0 "[ . 1 . 2]" 1
578 1 52 PHE QE 1 76 LYS HG2 1.800 . 5.000 3.762 2.607 4.786 . 0 0 "[ . 1 . 2]" 1
579 1 52 PHE HZ 1 76 LYS HB3 1.800 . 5.000 4.278 2.240 5.010 0.010 1 0 "[ . 1 . 2]" 1
580 1 52 PHE HZ 1 76 LYS HB2 1.800 . 5.000 3.704 1.796 5.002 0.004 8 0 "[ . 1 . 2]" 1
581 1 52 PHE HZ 1 76 LYS QD 1.800 . 5.000 3.339 1.877 5.002 0.002 13 0 "[ . 1 . 2]" 1
582 1 52 PHE HZ 1 76 LYS HG3 1.800 . 5.000 3.469 1.952 5.006 0.006 4 0 "[ . 1 . 2]" 1
583 1 52 PHE HZ 1 76 LYS HG2 1.800 . 5.000 3.790 2.516 5.010 0.010 13 0 "[ . 1 . 2]" 1
584 1 53 GLU HA 1 54 SER H 1.800 . 3.500 2.390 2.076 2.844 . 0 0 "[ . 1 . 2]" 1
585 1 54 SER QB 1 75 LEU MD1 1.800 . 5.000 3.498 1.906 5.009 0.009 5 0 "[ . 1 . 2]" 1
586 1 54 SER QB 1 75 LEU MD2 1.800 . 5.000 3.368 1.794 5.007 0.007 10 0 "[ . 1 . 2]" 1
587 1 55 SER HA 1 56 VAL H 1.800 . 3.500 3.271 2.779 3.523 0.023 6 0 "[ . 1 . 2]" 1
588 1 56 VAL HA 1 57 LEU H 1.800 . 3.500 2.122 2.075 2.171 . 0 0 "[ . 1 . 2]" 1
589 1 56 VAL MG2 1 75 LEU MD1 1.800 . 5.000 3.960 2.298 4.896 . 0 0 "[ . 1 . 2]" 1
590 1 56 VAL MG2 1 75 LEU MD2 1.800 . 5.000 4.058 2.802 5.009 0.009 4 0 "[ . 1 . 2]" 1
591 1 57 LEU HA 1 59 ARG H 1.800 . 5.000 3.430 3.151 3.912 . 0 0 "[ . 1 . 2]" 1
592 1 57 LEU MD1 1 95 VAL MG1 1.800 . 5.000 3.113 2.356 3.937 . 0 0 "[ . 1 . 2]" 1
593 1 57 LEU MD1 1 95 VAL MG2 1.800 . 5.000 3.581 3.099 4.241 . 0 0 "[ . 1 . 2]" 1
594 1 59 ARG HA 1 60 GLY H 1.800 . 3.500 2.771 2.750 2.802 . 0 0 "[ . 1 . 2]" 1
595 1 60 GLY HA3 1 61 LEU H 1.800 . 3.500 2.722 2.689 2.805 . 0 0 "[ . 1 . 2]" 1
596 1 60 GLY HA2 1 61 LEU H 1.800 . 3.500 2.411 2.352 2.456 . 0 0 "[ . 1 . 2]" 1
597 1 60 GLY QA 1 71 VAL MG2 1.800 . 5.000 2.902 2.621 3.311 . 0 0 "[ . 1 . 2]" 1
598 1 60 GLY QA 1 74 PRO QD 1.800 . 5.000 1.948 1.797 2.145 0.003 5 0 "[ . 1 . 2]" 1
599 1 60 GLY QA 1 74 PRO QG 1.800 . 5.000 2.844 2.325 3.391 . 0 0 "[ . 1 . 2]" 1
600 1 60 GLY H 1 71 VAL MG2 1.800 . 5.000 3.864 3.454 4.428 . 0 0 "[ . 1 . 2]" 1
601 1 61 LEU HA 1 62 ILE H 1.800 . 3.500 2.239 2.140 2.392 . 0 0 "[ . 1 . 2]" 1
602 1 61 LEU QB 1 72 ALA H 1.800 . 5.000 4.348 3.552 4.914 . 0 0 "[ . 1 . 2]" 1
603 1 61 LEU MD2 1 72 ALA H 1.800 . 5.000 4.299 3.237 5.005 0.005 7 0 "[ . 1 . 2]" 1
604 1 61 LEU MD2 1 74 PRO HA 1.800 . 5.000 4.459 3.720 5.005 0.005 11 0 "[ . 1 . 2]" 1
605 1 61 LEU H 1 71 VAL MG2 1.800 . 5.000 3.639 3.349 3.947 . 0 0 "[ . 1 . 2]" 1
606 1 61 LEU H 1 72 ALA MB 1.800 . 5.000 3.489 3.165 3.742 . 0 0 "[ . 1 . 2]" 1
607 1 61 LEU H 1 72 ALA H 1.800 . 5.000 3.381 3.119 3.727 . 0 0 "[ . 1 . 2]" 1
608 1 62 ILE HA 1 63 ALA H 1.800 . 2.900 2.153 2.119 2.190 . 0 0 "[ . 1 . 2]" 1
609 1 62 ILE HA 1 71 VAL HA 1.800 . 5.000 2.178 2.007 2.363 . 0 0 "[ . 1 . 2]" 1
610 1 62 ILE HA 1 71 VAL MG1 1.800 . 5.000 4.782 4.571 5.004 0.004 8 0 "[ . 1 . 2]" 1
611 1 62 ILE HA 1 72 ALA H 1.800 . 5.000 3.360 2.959 3.635 . 0 0 "[ . 1 . 2]" 1
612 1 62 ILE MD 1 71 VAL HA 1.800 . 5.000 4.792 4.373 5.004 0.004 11 0 "[ . 1 . 2]" 1
613 1 62 ILE MD 1 82 LEU MD1 1.800 . 5.000 2.882 2.209 4.099 . 0 0 "[ . 1 . 2]" 1
614 1 62 ILE MD 1 82 LEU MD2 1.800 . 5.000 3.441 2.184 4.099 . 0 0 "[ . 1 . 2]" 1
615 1 62 ILE QG 1 71 VAL HA 1.800 . 5.000 3.202 2.776 3.450 . 0 0 "[ . 1 . 2]" 1
616 1 62 ILE QG 1 72 ALA H 1.800 . 5.000 4.462 4.009 4.749 . 0 0 "[ . 1 . 2]" 1
617 1 62 ILE MG 1 69 LEU HA 1.800 . 5.000 3.712 3.029 4.249 . 0 0 "[ . 1 . 2]" 1
618 1 62 ILE MG 1 70 TRP H 1.800 . 5.000 3.554 3.128 3.875 . 0 0 "[ . 1 . 2]" 1
619 1 62 ILE MG 1 71 VAL HA 1.800 . 5.000 3.467 3.169 3.731 . 0 0 "[ . 1 . 2]" 1
620 1 62 ILE MG 1 71 VAL H 1.800 . 5.000 4.457 4.080 4.866 . 0 0 "[ . 1 . 2]" 1
621 1 62 ILE MG 1 82 LEU MD1 1.800 . 5.000 2.630 1.955 3.678 . 0 0 "[ . 1 . 2]" 1
622 1 62 ILE MG 1 82 LEU MD2 1.800 . 5.000 3.575 2.138 4.427 . 0 0 "[ . 1 . 2]" 1
623 1 62 ILE H 1 71 VAL MG2 1.800 . 5.000 4.174 3.846 4.637 . 0 0 "[ . 1 . 2]" 1
624 1 63 ALA HA 1 64 GLU H 1.800 . 2.900 2.294 2.122 2.707 . 0 0 "[ . 1 . 2]" 1
625 1 63 ALA HA 1 69 LEU MD2 1.800 . 5.000 4.575 3.804 5.002 0.002 1 0 "[ . 1 . 2]" 1
626 1 63 ALA MB 1 70 TRP QB 1.800 . 5.000 3.530 2.708 4.037 . 0 0 "[ . 1 . 2]" 1
627 1 63 ALA MB 1 71 VAL HA 1.800 . 5.000 4.590 4.320 4.857 . 0 0 "[ . 1 . 2]" 1
628 1 63 ALA H 1 70 TRP QB 1.800 . 5.000 3.744 3.407 4.265 . 0 0 "[ . 1 . 2]" 1
629 1 63 ALA H 1 70 TRP H 1.800 . 5.000 3.336 3.094 3.683 . 0 0 "[ . 1 . 2]" 1
630 1 63 ALA H 1 71 VAL HA 1.800 . 5.000 3.151 2.852 3.343 . 0 0 "[ . 1 . 2]" 1
631 1 64 GLU HA 1 65 HIS H 1.800 . 2.900 2.198 2.119 2.460 . 0 0 "[ . 1 . 2]" 1
632 1 64 GLU HA 1 69 LEU HA 1.800 . 5.000 2.543 1.958 3.293 . 0 0 "[ . 1 . 2]" 1
633 1 64 GLU HA 1 70 TRP HD1 1.800 . 5.000 3.740 2.818 4.342 . 0 0 "[ . 1 . 2]" 1
634 1 64 GLU HA 1 70 TRP H 1.800 . 5.000 3.106 2.655 3.594 . 0 0 "[ . 1 . 2]" 1
635 1 64 GLU QB 1 67 GLY H 1.800 . 5.000 4.432 3.308 5.002 0.002 12 0 "[ . 1 . 2]" 1
636 1 64 GLU HG3 1 67 GLY QA 1.800 . 5.000 3.942 2.979 4.993 . 0 0 "[ . 1 . 2]" 1
637 1 64 GLU HG3 1 67 GLY H 1.800 . 5.000 3.582 2.716 5.017 0.017 1 0 "[ . 1 . 2]" 1
638 1 64 GLU HG3 1 68 GLU H 1.800 . 5.000 4.316 2.468 5.004 0.004 3 0 "[ . 1 . 2]" 1
639 1 64 GLU HG2 1 67 GLY QA 1.800 . 5.000 4.010 3.194 4.847 . 0 0 "[ . 1 . 2]" 1
640 1 64 GLU HG2 1 67 GLY H 1.800 . 5.000 3.036 2.159 4.775 . 0 0 "[ . 1 . 2]" 1
641 1 64 GLU HG2 1 68 GLU H 1.800 . 5.000 3.912 3.405 5.013 0.013 1 0 "[ . 1 . 2]" 1
642 1 64 GLU QG 1 69 LEU HA 1.800 . 5.000 3.574 2.855 4.337 . 0 0 "[ . 1 . 2]" 1
643 1 64 GLU H 1 69 LEU MD2 1.800 . 5.000 4.100 3.551 4.752 . 0 0 "[ . 1 . 2]" 1
644 1 65 HIS HB3 1 70 TRP HD1 1.800 . 5.000 3.050 2.140 5.001 0.001 10 0 "[ . 1 . 2]" 1
645 1 65 HIS HB3 1 70 TRP HE1 1.800 . 5.000 3.039 2.193 4.931 . 0 0 "[ . 1 . 2]" 1
646 1 65 HIS HB2 1 70 TRP HD1 1.800 . 5.000 2.941 1.801 3.973 . 0 0 "[ . 1 . 2]" 1
647 1 65 HIS HB2 1 70 TRP HE1 1.800 . 5.000 3.690 3.007 5.003 0.003 19 0 "[ . 1 . 2]" 1
648 1 65 HIS QB 1 68 GLU H 1.800 . 5.000 3.852 3.279 4.561 . 0 0 "[ . 1 . 2]" 1
649 1 65 HIS H 1 67 GLY H 1.800 . 5.000 3.938 2.788 4.939 . 0 0 "[ . 1 . 2]" 1
650 1 65 HIS H 1 68 GLU H 1.800 . 5.000 3.523 2.690 4.433 . 0 0 "[ . 1 . 2]" 1
651 1 65 HIS H 1 69 LEU HA 1.800 . 5.000 3.700 2.869 5.002 0.002 4 0 "[ . 1 . 2]" 1
652 1 65 HIS H 1 70 TRP HD1 1.800 . 5.000 2.871 2.149 3.895 . 0 0 "[ . 1 . 2]" 1
653 1 65 HIS H 1 70 TRP HE1 1.800 . 5.000 4.364 3.143 4.992 . 0 0 "[ . 1 . 2]" 1
654 1 66 GLN HA 1 67 GLY H 1.800 . 3.500 2.634 2.212 3.354 . 0 0 "[ . 1 . 2]" 1
655 1 66 GLN HA 1 68 GLU H 1.800 . 5.000 4.291 3.500 5.007 0.007 6 0 "[ . 1 . 2]" 1
656 1 67 GLY H 1 68 GLU H 1.800 . 3.500 2.644 1.789 3.501 0.011 10 0 "[ . 1 . 2]" 1
657 1 68 GLU HA 1 69 LEU H 1.800 . 2.900 2.247 2.166 2.388 . 0 0 "[ . 1 . 2]" 1
658 1 68 GLU HB3 1 70 TRP HE1 1.800 . 5.000 3.065 2.515 4.401 . 0 0 "[ . 1 . 2]" 1
659 1 68 GLU HB2 1 70 TRP HE1 1.800 . 5.000 2.394 1.798 4.121 0.002 19 0 "[ . 1 . 2]" 1
660 1 68 GLU QB 1 81 ARG QD 1.800 . 5.000 3.122 2.191 4.981 . 0 0 "[ . 1 . 2]" 1
661 1 68 GLU HG3 1 70 TRP HE1 1.800 . 5.000 3.935 2.293 4.987 . 0 0 "[ . 1 . 2]" 1
662 1 68 GLU HG2 1 70 TRP HE1 1.800 . 5.000 3.977 2.554 5.005 0.005 13 0 "[ . 1 . 2]" 1
663 1 68 GLU H 1 70 TRP HE1 1.800 . 5.000 4.418 3.369 5.011 0.011 20 0 "[ . 1 . 2]" 1
664 1 69 LEU HA 1 70 TRP H 1.800 . 3.500 2.126 2.073 2.171 . 0 0 "[ . 1 . 2]" 1
665 1 69 LEU HA 1 82 LEU MD1 1.800 . 5.000 4.518 4.138 5.002 0.002 7 0 "[ . 1 . 2]" 1
666 1 69 LEU HB3 1 82 LEU MD1 1.800 . 5.000 2.659 2.123 3.362 . 0 0 "[ . 1 . 2]" 1
667 1 69 LEU HB2 1 82 LEU MD1 1.800 . 5.000 2.734 2.132 3.268 . 0 0 "[ . 1 . 2]" 1
668 1 69 LEU H 1 82 LEU MD1 1.800 . 5.000 4.661 3.919 5.006 0.006 3 0 "[ . 1 . 2]" 1
669 1 70 TRP HA 1 71 VAL H 1.800 . 3.500 2.220 2.138 2.359 . 0 0 "[ . 1 . 2]" 1
670 1 70 TRP HA 1 81 ARG HA 1.800 . 5.000 2.449 2.286 2.846 . 0 0 "[ . 1 . 2]" 1
671 1 70 TRP HA 1 82 LEU MD1 1.800 . 5.000 4.270 3.457 5.000 . 0 0 "[ . 1 . 2]" 1
672 1 70 TRP HA 1 82 LEU MD2 1.800 . 5.000 4.372 3.869 4.766 . 0 0 "[ . 1 . 2]" 1
673 1 70 TRP HA 1 82 LEU HG 1.800 . 5.000 3.264 2.456 3.952 . 0 0 "[ . 1 . 2]" 1
674 1 70 TRP HA 1 82 LEU H 1.800 . 5.000 2.908 2.282 3.390 . 0 0 "[ . 1 . 2]" 1
675 1 70 TRP QB 1 79 ARG HA 1.800 . 5.000 4.000 3.497 4.865 . 0 0 "[ . 1 . 2]" 1
676 1 70 TRP QB 1 81 ARG HA 1.800 . 5.000 3.851 3.455 4.265 . 0 0 "[ . 1 . 2]" 1
677 1 70 TRP HE3 1 79 ARG QB 1.800 . 5.000 2.409 1.948 3.413 . 0 0 "[ . 1 . 2]" 1
678 1 70 TRP HE3 1 80 PHE HA 1.800 . 5.000 3.533 3.105 3.971 . 0 0 "[ . 1 . 2]" 1
679 1 70 TRP HE3 1 80 PHE H 1.800 . 5.000 3.405 3.027 3.970 . 0 0 "[ . 1 . 2]" 1
680 1 70 TRP HE3 1 81 ARG HA 1.800 . 5.000 3.676 3.267 4.106 . 0 0 "[ . 1 . 2]" 1
681 1 70 TRP HE3 1 81 ARG H 1.800 . 5.000 3.676 3.115 4.010 . 0 0 "[ . 1 . 2]" 1
682 1 70 TRP HH2 1 86 LEU MD2 1.800 . 5.000 2.733 2.241 3.765 . 0 0 "[ . 1 . 2]" 1
683 1 70 TRP HH2 1 88 MET HA 1.800 . 5.000 3.333 2.405 4.583 . 0 0 "[ . 1 . 2]" 1
684 1 70 TRP HH2 1 88 MET QB 1.800 . 5.000 3.590 2.691 5.010 0.010 20 0 "[ . 1 . 2]" 1
685 1 70 TRP HH2 1 88 MET ME 1.800 . 5.000 4.281 2.504 5.005 0.005 19 0 "[ . 1 . 2]" 1
686 1 70 TRP HZ2 1 81 ARG HD3 1.800 . 5.000 3.207 2.258 5.001 0.001 1 0 "[ . 1 . 2]" 1
687 1 70 TRP HZ2 1 81 ARG HD2 1.800 . 5.000 4.057 2.834 4.714 . 0 0 "[ . 1 . 2]" 1
688 1 70 TRP HZ2 1 86 LEU MD2 1.800 . 5.000 3.968 2.918 5.002 0.002 4 0 "[ . 1 . 2]" 1
689 1 70 TRP HZ2 1 88 MET ME 1.800 . 5.000 4.832 3.898 5.009 0.009 6 0 "[ . 1 . 2]" 1
690 1 70 TRP HZ3 1 81 ARG QB 1.800 . 5.000 3.359 2.599 4.042 . 0 0 "[ . 1 . 2]" 1
691 1 70 TRP HZ3 1 81 ARG H 1.800 . 5.000 3.573 3.171 4.002 . 0 0 "[ . 1 . 2]" 1
692 1 70 TRP HZ3 1 88 MET HA 1.800 . 5.000 3.120 2.182 4.198 . 0 0 "[ . 1 . 2]" 1
693 1 70 TRP HZ3 1 88 MET H 1.800 . 5.000 2.705 1.962 3.768 . 0 0 "[ . 1 . 2]" 1
694 1 71 VAL HA 1 72 ALA H 1.800 . 2.900 2.158 2.107 2.270 . 0 0 "[ . 1 . 2]" 1
695 1 71 VAL HA 1 82 LEU MD2 1.800 . 5.000 4.208 3.547 4.767 . 0 0 "[ . 1 . 2]" 1
696 1 71 VAL HB 1 82 LEU MD1 1.800 . 5.000 3.277 2.171 4.778 . 0 0 "[ . 1 . 2]" 1
697 1 71 VAL HB 1 82 LEU MD2 1.800 . 5.000 2.174 1.798 2.632 0.002 11 0 "[ . 1 . 2]" 1
698 1 71 VAL MG1 1 80 PHE H 1.800 . 5.000 2.643 2.491 3.176 . 0 0 "[ . 1 . 2]" 1
699 1 71 VAL MG1 1 81 ARG H 1.800 . 5.000 4.645 4.425 4.790 . 0 0 "[ . 1 . 2]" 1
700 1 71 VAL MG1 1 82 LEU MD1 1.800 . 5.000 3.875 3.234 4.779 . 0 0 "[ . 1 . 2]" 1
701 1 71 VAL MG1 1 82 LEU MD2 1.800 . 5.000 2.346 2.110 2.969 . 0 0 "[ . 1 . 2]" 1
702 1 71 VAL H 1 80 PHE H 1.800 . 5.000 2.964 2.712 3.194 . 0 0 "[ . 1 . 2]" 1
703 1 71 VAL H 1 81 ARG HA 1.800 . 5.000 3.686 3.360 3.976 . 0 0 "[ . 1 . 2]" 1
704 1 71 VAL H 1 82 LEU MD1 1.800 . 5.000 4.315 3.644 5.004 0.004 10 0 "[ . 1 . 2]" 1
705 1 71 VAL H 1 82 LEU MD2 1.800 . 5.000 3.578 3.222 3.953 . 0 0 "[ . 1 . 2]" 1
706 1 71 VAL H 1 82 LEU HG 1.800 . 5.000 3.228 2.614 3.616 . 0 0 "[ . 1 . 2]" 1
707 1 72 ALA HA 1 73 SER H 1.800 . 3.500 2.129 2.109 2.151 . 0 0 "[ . 1 . 2]" 1
708 1 72 ALA HA 1 79 ARG HA 1.800 . 5.000 2.615 2.124 3.073 . 0 0 "[ . 1 . 2]" 1
709 1 72 ALA HA 1 80 PHE H 1.800 . 5.000 3.745 3.211 4.144 . 0 0 "[ . 1 . 2]" 1
710 1 72 ALA MB 1 77 LYS HA 1.800 . 5.000 4.038 2.801 5.008 0.008 8 0 "[ . 1 . 2]" 1
711 1 72 ALA MB 1 79 ARG HA 1.800 . 5.000 3.596 2.872 4.371 . 0 0 "[ . 1 . 2]" 1
712 1 73 SER QB 1 75 LEU H 1.800 . 5.000 2.919 2.585 3.718 . 0 0 "[ . 1 . 2]" 1
713 1 73 SER QB 1 77 LYS H 1.800 . 5.000 4.421 3.831 5.005 0.005 13 0 "[ . 1 . 2]" 1
714 1 73 SER H 1 78 GLN H 1.800 . 5.000 3.451 2.666 4.174 . 0 0 "[ . 1 . 2]" 1
715 1 73 SER H 1 79 ARG HA 1.800 . 5.000 3.785 3.027 4.510 . 0 0 "[ . 1 . 2]" 1
716 1 78 GLN HA 1 79 ARG H 1.800 . 3.500 2.227 2.133 2.391 . 0 0 "[ . 1 . 2]" 1
717 1 79 ARG HA 1 80 PHE H 1.800 . 3.500 2.138 2.100 2.170 . 0 0 "[ . 1 . 2]" 1
718 1 79 ARG H 1 88 MET H 1.800 . 5.000 3.882 3.445 4.636 . 0 0 "[ . 1 . 2]" 1
719 1 79 ARG H 1 89 GLU H 1.800 . 5.000 4.212 3.437 5.002 0.002 14 0 "[ . 1 . 2]" 1
720 1 80 PHE HA 1 81 ARG H 1.800 . 2.900 2.185 2.121 2.286 . 0 0 "[ . 1 . 2]" 1
721 1 80 PHE HA 1 87 CYS HA 1.800 . 5.000 2.266 1.964 2.505 . 0 0 "[ . 1 . 2]" 1
722 1 80 PHE HA 1 88 MET H 1.800 . 5.000 3.399 3.015 3.950 . 0 0 "[ . 1 . 2]" 1
723 1 80 PHE QE 1 95 VAL MG1 1.800 . 5.000 2.311 1.803 3.090 . 0 0 "[ . 1 . 2]" 1
724 1 80 PHE QE 1 95 VAL MG2 1.800 . 5.000 3.515 2.752 4.658 . 0 0 "[ . 1 . 2]" 1
725 1 81 ARG HA 1 82 LEU H 1.800 . 2.900 2.159 2.113 2.231 . 0 0 "[ . 1 . 2]" 1
726 1 81 ARG HA 1 83 SER H 1.800 . 5.000 3.691 3.441 4.152 . 0 0 "[ . 1 . 2]" 1
727 1 81 ARG HB3 1 86 LEU H 1.800 . 5.000 2.777 2.224 3.425 . 0 0 "[ . 1 . 2]" 1
728 1 81 ARG HB2 1 86 LEU H 1.800 . 5.000 4.377 3.774 5.001 0.001 8 0 "[ . 1 . 2]" 1
729 1 81 ARG QB 1 83 SER H 1.800 . 5.000 3.970 3.596 4.554 . 0 0 "[ . 1 . 2]" 1
730 1 81 ARG QB 1 84 ASP H 1.800 . 5.000 3.583 3.200 4.071 . 0 0 "[ . 1 . 2]" 1
731 1 81 ARG QB 1 85 GLY H 1.800 . 5.000 3.389 1.809 4.086 . 0 0 "[ . 1 . 2]" 1
732 1 81 ARG QD 1 83 SER H 1.800 . 5.000 4.378 3.857 4.908 . 0 0 "[ . 1 . 2]" 1
733 1 81 ARG QD 1 84 ASP H 1.800 . 5.000 4.396 3.102 5.008 0.008 20 0 "[ . 1 . 2]" 1
734 1 81 ARG HE 1 83 SER H 1.800 . 5.000 4.566 3.487 5.005 0.005 11 0 "[ . 1 . 2]" 1
735 1 81 ARG HE 1 84 ASP H 1.800 . 5.000 3.636 3.093 4.749 . 0 0 "[ . 1 . 2]" 1
736 1 81 ARG HE 1 85 GLY H 1.800 . 5.000 4.350 3.614 5.012 0.012 13 0 "[ . 1 . 2]" 1
737 1 81 ARG HE 1 86 LEU MD2 1.800 . 5.000 3.705 2.647 4.875 . 0 0 "[ . 1 . 2]" 1
738 1 81 ARG HG3 1 83 SER H 1.800 . 5.000 3.355 2.950 3.818 . 0 0 "[ . 1 . 2]" 1
739 1 81 ARG HG3 1 84 ASP H 1.800 . 5.000 4.506 3.768 4.947 . 0 0 "[ . 1 . 2]" 1
740 1 81 ARG HG2 1 83 SER H 1.800 . 5.000 2.441 1.910 2.975 . 0 0 "[ . 1 . 2]" 1
741 1 81 ARG HG2 1 84 ASP H 1.800 . 5.000 2.810 2.029 3.286 . 0 0 "[ . 1 . 2]" 1
742 1 81 ARG QH 1 84 ASP H 1.800 . 5.000 4.479 3.876 5.005 0.005 2 0 "[ . 1 . 2]" 1
743 1 81 ARG QH 1 86 LEU MD2 1.800 . 5.000 2.557 1.928 3.800 . 0 0 "[ . 1 . 2]" 1
744 1 81 ARG QH 1 86 LEU H 1.800 . 5.000 4.113 3.309 5.007 0.007 1 0 "[ . 1 . 2]" 1
745 1 81 ARG H 1 86 LEU H 1.800 . 5.000 3.737 3.004 4.580 . 0 0 "[ . 1 . 2]" 1
746 1 81 ARG H 1 87 CYS HA 1.800 . 5.000 3.250 2.803 3.617 . 0 0 "[ . 1 . 2]" 1
747 1 82 LEU HA 1 85 GLY H 1.800 . 5.000 3.952 3.187 5.001 0.001 1 0 "[ . 1 . 2]" 1
748 1 83 SER H 1 84 ASP H 1.800 . 3.500 2.754 2.542 3.021 . 0 0 "[ . 1 . 2]" 1
749 1 83 SER H 1 85 GLY H 1.800 . 5.000 4.035 3.527 4.872 . 0 0 "[ . 1 . 2]" 1
750 1 84 ASP HA 1 97 HIS HB3 1.800 . 5.000 4.744 4.010 5.013 0.013 13 0 "[ . 1 . 2]" 1
751 1 84 ASP HA 1 97 HIS HB2 1.800 . 5.000 4.184 3.505 4.909 . 0 0 "[ . 1 . 2]" 1
752 1 84 ASP QB 1 86 LEU H 1.800 . 5.000 3.312 2.552 4.009 . 0 0 "[ . 1 . 2]" 1
753 1 84 ASP H 1 85 GLY H 1.800 . 2.500 2.068 1.843 2.506 0.006 20 0 "[ . 1 . 2]" 1
754 1 84 ASP H 1 86 LEU H 1.800 . 5.000 3.526 3.155 4.426 . 0 0 "[ . 1 . 2]" 1
755 1 85 GLY HA3 1 95 VAL MG2 1.800 . 5.000 3.072 2.535 3.881 . 0 0 "[ . 1 . 2]" 1
756 1 85 GLY HA2 1 95 VAL MG2 1.800 . 5.000 3.067 2.372 3.515 . 0 0 "[ . 1 . 2]" 1
757 1 85 GLY H 1 86 LEU H 1.800 . 3.500 2.191 1.799 2.635 0.001 20 0 "[ . 1 . 2]" 1
758 1 85 GLY H 1 97 HIS QB 1.800 . 5.000 4.408 3.822 4.775 . 0 0 "[ . 1 . 2]" 1
759 1 86 LEU HA 1 87 CYS H 1.800 . 3.500 2.188 2.117 2.261 . 0 0 "[ . 1 . 2]" 1
760 1 86 LEU HA 1 94 SER HA 1.800 . 5.000 4.140 3.386 4.870 . 0 0 "[ . 1 . 2]" 1
761 1 86 LEU HA 1 94 SER HB3 1.800 . 5.000 2.421 1.975 3.285 . 0 0 "[ . 1 . 2]" 1
762 1 86 LEU HA 1 94 SER HB2 1.800 . 5.000 3.388 2.373 4.839 . 0 0 "[ . 1 . 2]" 1
763 1 86 LEU HA 1 94 SER HG 1.800 . 5.000 3.438 2.917 4.202 . 0 0 "[ . 1 . 2]" 1
764 1 86 LEU HA 1 95 VAL H 1.800 . 5.000 3.985 3.607 4.895 . 0 0 "[ . 1 . 2]" 1
765 1 86 LEU MD1 1 91 GLU HA 1.800 . 5.000 2.467 1.796 3.529 0.004 13 0 "[ . 1 . 2]" 1
766 1 86 LEU MD1 1 91 GLU QB 1.800 . 5.000 2.620 1.841 4.169 . 0 0 "[ . 1 . 2]" 1
767 1 86 LEU MD1 1 91 GLU QG 1.800 . 5.000 3.162 1.796 4.199 0.004 14 0 "[ . 1 . 2]" 1
768 1 86 LEU MD1 1 94 SER QB 1.800 . 5.000 3.156 2.609 3.970 . 0 0 "[ . 1 . 2]" 1
769 1 86 LEU MD1 1 94 SER HG 1.800 . 5.000 2.556 2.160 3.227 . 0 0 "[ . 1 . 2]" 1
770 1 86 LEU MD1 1 94 SER H 1.800 . 5.000 4.786 3.926 5.009 0.009 16 0 "[ . 1 . 2]" 1
771 1 86 LEU MD2 1 88 MET HA 1.800 . 5.000 3.649 3.145 3.899 . 0 0 "[ . 1 . 2]" 1
772 1 86 LEU MD2 1 88 MET QG 1.800 . 5.000 4.487 3.662 5.008 0.008 14 0 "[ . 1 . 2]" 1
773 1 86 LEU MD2 1 88 MET H 1.800 . 5.000 4.957 4.059 5.010 0.010 20 0 "[ . 1 . 2]" 1
774 1 86 LEU MD2 1 91 GLU QB 1.800 . 5.000 3.235 2.291 4.916 . 0 0 "[ . 1 . 2]" 1
775 1 86 LEU MD2 1 91 GLU QG 1.800 . 5.000 3.829 1.798 5.010 0.010 15 0 "[ . 1 . 2]" 1
776 1 86 LEU HG 1 91 GLU HA 1.800 . 5.000 3.162 2.233 4.610 . 0 0 "[ . 1 . 2]" 1
777 1 86 LEU H 1 94 SER QB 1.800 . 5.000 4.422 3.861 5.004 0.004 1 0 "[ . 1 . 2]" 1
778 1 87 CYS HA 1 88 MET H 1.800 . 3.500 2.252 2.176 2.341 . 0 0 "[ . 1 . 2]" 1
779 1 87 CYS HA 1 89 GLU H 1.800 . 5.000 4.370 3.711 5.006 0.006 12 0 "[ . 1 . 2]" 1
780 1 87 CYS HA 1 90 ASP H 1.800 . 5.000 4.484 4.217 4.660 . 0 0 "[ . 1 . 2]" 1
781 1 87 CYS QB 1 90 ASP QB 1.800 . 5.000 1.853 1.790 2.213 0.010 1 0 "[ . 1 . 2]" 1
782 1 87 CYS QB 1 90 ASP H 1.800 . 5.000 2.619 2.266 2.891 . 0 0 "[ . 1 . 2]" 1
783 1 87 CYS QB 1 91 GLU HA 1.800 . 5.000 3.485 2.536 5.004 0.004 13 0 "[ . 1 . 2]" 1
784 1 87 CYS QB 1 94 SER H 1.800 . 5.000 4.067 3.197 5.015 0.015 8 0 "[ . 1 . 2]" 1
785 1 87 CYS H 1 90 ASP QB 1.800 . 5.000 4.107 3.191 4.754 . 0 0 "[ . 1 . 2]" 1
786 1 87 CYS H 1 91 GLU HA 1.800 . 5.000 3.133 2.456 4.664 . 0 0 "[ . 1 . 2]" 1
787 1 87 CYS H 1 94 SER HA 1.800 . 5.000 3.090 2.593 3.890 . 0 0 "[ . 1 . 2]" 1
788 1 87 CYS H 1 94 SER QB 1.800 . 5.000 2.679 1.794 4.186 0.006 8 0 "[ . 1 . 2]" 1
789 1 87 CYS H 1 94 SER HG 1.800 . 5.000 3.169 2.573 5.002 0.002 1 0 "[ . 1 . 2]" 1
790 1 87 CYS H 1 95 VAL H 1.800 . 5.000 3.881 3.052 4.567 . 0 0 "[ . 1 . 2]" 1
791 1 88 MET HA 1 90 ASP H 1.800 . 5.000 4.614 3.945 5.001 0.001 5 0 "[ . 1 . 2]" 1
792 1 88 MET H 1 90 ASP H 1.800 . 5.000 3.903 3.522 4.304 . 0 0 "[ . 1 . 2]" 1
793 1 89 GLU H 1 90 ASP H 1.800 . 3.500 2.286 2.160 2.502 . 0 0 "[ . 1 . 2]" 1
794 1 90 ASP HA 1 91 GLU H 1.800 . 3.500 3.091 3.039 3.135 . 0 0 "[ . 1 . 2]" 1
795 1 90 ASP HA 1 92 GLN H 1.800 . 5.000 3.673 3.102 4.462 . 0 0 "[ . 1 . 2]" 1
796 1 90 ASP HA 1 93 PHE H 1.800 . 5.000 4.088 3.735 4.385 . 0 0 "[ . 1 . 2]" 1
797 1 90 ASP QB 1 94 SER H 1.800 . 5.000 3.530 2.260 5.013 0.013 7 0 "[ . 1 . 2]" 1
798 1 91 GLU HA 1 93 PHE H 1.800 . 5.000 4.068 3.772 4.511 . 0 0 "[ . 1 . 2]" 1
799 1 91 GLU HA 1 94 SER HG 1.800 . 5.000 2.645 2.096 3.705 . 0 0 "[ . 1 . 2]" 1
800 1 91 GLU HA 1 94 SER H 1.800 . 5.000 4.167 3.647 4.776 . 0 0 "[ . 1 . 2]" 1
801 1 92 GLN H 1 93 PHE H 1.800 . 3.500 2.724 2.580 2.967 . 0 0 "[ . 1 . 2]" 1
802 1 93 PHE H 1 94 SER QB 1.800 . 5.000 4.643 4.318 5.017 0.017 7 0 "[ . 1 . 2]" 1
803 1 93 PHE H 1 94 SER HG 1.800 . 5.000 3.659 2.903 5.000 . 0 0 "[ . 1 . 2]" 1
804 1 96 LYS HA 1 97 HIS H 1.800 . 3.500 2.151 2.113 2.221 . 0 0 "[ . 1 . 2]" 1
805 1 96 LYS HB3 1 98 TYR QE 1.800 . 5.000 3.294 2.680 5.012 0.012 17 0 "[ . 1 . 2]" 1
806 1 96 LYS HB2 1 98 TYR QE 1.800 . 5.000 4.426 2.631 5.002 0.002 6 0 "[ . 1 . 2]" 1
807 1 96 LYS QD 1 98 TYR QE 1.800 . 5.000 3.437 2.285 4.631 . 0 0 "[ . 1 . 2]" 1
808 1 96 LYS QE 1 98 TYR QE 1.800 . 5.000 3.329 1.876 4.968 . 0 0 "[ . 1 . 2]" 1
809 1 96 LYS HG3 1 98 TYR QE 1.800 . 5.000 4.428 2.247 5.007 0.007 7 0 "[ . 1 . 2]" 1
810 1 96 LYS HG2 1 98 TYR QE 1.800 . 5.000 3.706 2.745 5.004 0.004 7 0 "[ . 1 . 2]" 1
811 1 97 HIS HA 1 98 TYR H 1.800 . 3.500 2.163 2.100 2.261 . 0 0 "[ . 1 . 2]" 1
812 1 97 HIS HE1 1 99 GLU HA 1.800 . 5.000 3.816 2.867 5.003 0.003 17 0 "[ . 1 . 2]" 1
813 1 97 HIS HE1 1 99 GLU QG 1.800 . 5.000 4.124 2.669 5.001 0.001 7 0 "[ . 1 . 2]" 1
814 1 98 TYR HA 1 111 GLY HA3 1.800 . 5.000 4.281 3.342 4.967 . 0 0 "[ . 1 . 2]" 1
815 1 98 TYR HA 1 111 GLY HA2 1.800 . 5.000 3.861 2.816 4.734 . 0 0 "[ . 1 . 2]" 1
816 1 98 TYR HA 1 99 GLU H 1.800 . 3.500 2.296 2.136 2.468 . 0 0 "[ . 1 . 2]" 1
817 1 98 TYR HB3 1 109 LEU MD1 1.800 . 5.000 3.965 2.238 4.433 . 0 0 "[ . 1 . 2]" 1
818 1 98 TYR HB2 1 109 LEU MD1 1.800 . 5.000 3.885 3.078 4.353 . 0 0 "[ . 1 . 2]" 1
819 1 98 TYR QB 1 110 ARG H 1.800 . 5.000 3.756 3.385 4.202 . 0 0 "[ . 1 . 2]" 1
820 1 98 TYR QB 1 111 GLY QA 1.800 . 5.000 3.355 2.697 3.716 . 0 0 "[ . 1 . 2]" 1
821 1 98 TYR QB 1 111 GLY H 1.800 . 5.000 4.879 4.321 5.007 0.007 6 0 "[ . 1 . 2]" 1
822 1 98 TYR QD 1 109 LEU MD1 1.800 . 5.000 4.249 2.429 4.616 . 0 0 "[ . 1 . 2]" 1
823 1 98 TYR QD 1 111 GLY HA3 1.800 . 5.000 2.065 1.797 2.373 0.003 9 0 "[ . 1 . 2]" 1
824 1 98 TYR QD 1 111 GLY HA2 1.800 . 5.000 2.764 1.800 4.099 0.000 10 0 "[ . 1 . 2]" 1
825 1 98 TYR QE 1 111 GLY QA 1.800 . 5.000 2.977 2.193 4.013 . 0 0 "[ . 1 . 2]" 1
826 1 98 TYR QE 1 112 GLY H 1.800 . 5.000 3.595 1.795 5.013 0.013 9 0 "[ . 1 . 2]" 1
827 1 99 GLU HA 1 100 ALA H 1.800 . 2.900 2.160 2.103 2.222 . 0 0 "[ . 1 . 2]" 1
828 1 99 GLU HB3 1 110 ARG HB3 1.800 . 5.000 3.196 1.904 3.479 . 0 0 "[ . 1 . 2]" 1
829 1 99 GLU HB3 1 110 ARG HB2 1.800 . 5.000 4.595 3.458 5.009 0.009 11 0 "[ . 1 . 2]" 1
830 1 99 GLU HB3 1 110 ARG QG 1.800 . 5.000 4.797 3.687 5.008 0.008 13 0 "[ . 1 . 2]" 1
831 1 99 GLU HB2 1 110 ARG HB3 1.800 . 5.000 2.204 1.799 3.295 0.001 20 0 "[ . 1 . 2]" 1
832 1 99 GLU HB2 1 110 ARG HB2 1.800 . 5.000 3.889 3.432 4.998 . 0 0 "[ . 1 . 2]" 1
833 1 99 GLU HB2 1 110 ARG QG 1.800 . 5.000 3.620 2.977 4.610 . 0 0 "[ . 1 . 2]" 1
834 1 99 GLU QB 1 110 ARG HA 1.800 . 5.000 4.620 4.425 5.004 0.004 16 0 "[ . 1 . 2]" 1
835 1 99 GLU QB 1 110 ARG QD 1.800 . 5.000 3.789 2.654 4.518 . 0 0 "[ . 1 . 2]" 1
836 1 99 GLU QB 1 110 ARG H 1.800 . 5.000 3.144 2.829 3.549 . 0 0 "[ . 1 . 2]" 1
837 1 99 GLU H 1 109 LEU MD2 1.800 . 5.000 4.689 3.106 5.003 0.003 15 0 "[ . 1 . 2]" 1
838 1 99 GLU H 1 110 ARG QB 1.800 . 5.000 3.534 3.255 3.891 . 0 0 "[ . 1 . 2]" 1
839 1 99 GLU H 1 110 ARG QG 1.800 . 5.000 4.351 3.817 4.765 . 0 0 "[ . 1 . 2]" 1
840 1 99 GLU H 1 110 ARG H 1.800 . 5.000 3.387 3.007 3.737 . 0 0 "[ . 1 . 2]" 1
841 1 99 GLU H 1 111 GLY HA3 1.800 . 5.000 4.614 3.681 5.012 0.012 12 0 "[ . 1 . 2]" 1
842 1 99 GLU H 1 111 GLY HA2 1.800 . 5.000 3.942 3.197 4.847 . 0 0 "[ . 1 . 2]" 1
843 1 100 ALA HA 1 107 VAL MG1 1.800 . 5.000 4.203 3.846 4.673 . 0 0 "[ . 1 . 2]" 1
844 1 100 ALA HA 1 109 LEU HA 1.800 . 4.000 2.552 2.369 2.770 . 0 0 "[ . 1 . 2]" 1
845 1 100 ALA HA 1 109 LEU MD2 1.800 . 5.000 2.514 2.006 3.206 . 0 0 "[ . 1 . 2]" 1
846 1 100 ALA HA 1 110 ARG H 1.800 . 5.000 3.495 3.202 3.757 . 0 0 "[ . 1 . 2]" 1
847 1 100 ALA HA 1 101 ARG H 1.800 . 2.900 2.217 2.159 2.302 . 0 0 "[ . 1 . 2]" 1
848 1 100 ALA MB 1 107 VAL MG1 1.800 . 5.000 2.904 2.474 3.345 . 0 0 "[ . 1 . 2]" 1
849 1 100 ALA MB 1 108 GLN H 1.800 . 5.000 4.364 4.072 4.706 . 0 0 "[ . 1 . 2]" 1
850 1 100 ALA MB 1 109 LEU HA 1.800 . 5.000 3.470 3.250 3.866 . 0 0 "[ . 1 . 2]" 1
851 1 101 ARG HA 1 102 VAL H 1.800 . 3.500 2.334 2.191 2.489 . 0 0 "[ . 1 . 2]" 1
852 1 101 ARG HE 1 103 LYS HB3 1.800 . 5.000 4.298 3.926 5.005 0.005 4 0 "[ . 1 . 2]" 1
853 1 101 ARG HE 1 103 LYS HB2 1.800 . 5.000 2.896 2.202 3.465 . 0 0 "[ . 1 . 2]" 1
854 1 101 ARG HE 1 103 LYS HD3 1.800 . 5.000 4.261 3.320 5.005 0.005 19 0 "[ . 1 . 2]" 1
855 1 101 ARG HE 1 103 LYS HD2 1.800 . 5.000 4.315 3.298 5.008 0.008 8 0 "[ . 1 . 2]" 1
856 1 101 ARG HE 1 103 LYS H 1.800 . 5.000 4.766 3.867 5.005 0.005 3 0 "[ . 1 . 2]" 1
857 1 101 ARG HE 1 108 GLN QB 1.800 . 5.000 3.189 2.264 4.795 . 0 0 "[ . 1 . 2]" 1
858 1 101 ARG H 1 107 VAL MG1 1.800 . 5.000 3.665 3.286 4.061 . 0 0 "[ . 1 . 2]" 1
859 1 101 ARG H 1 108 GLN HB3 1.800 . 5.000 4.744 4.363 5.003 0.003 7 0 "[ . 1 . 2]" 1
860 1 101 ARG H 1 108 GLN HB2 1.800 . 5.000 3.443 2.822 3.751 . 0 0 "[ . 1 . 2]" 1
861 1 101 ARG H 1 108 GLN H 1.800 . 5.000 2.882 2.650 3.129 . 0 0 "[ . 1 . 2]" 1
862 1 101 ARG H 1 109 LEU HA 1.800 . 5.000 3.935 3.612 4.278 . 0 0 "[ . 1 . 2]" 1
863 1 101 ARG H 1 109 LEU MD2 1.800 . 5.000 3.714 3.126 5.006 0.006 10 0 "[ . 1 . 2]" 1
864 1 102 VAL HA 1 103 LYS H 1.800 . 2.900 2.137 2.079 2.207 . 0 0 "[ . 1 . 2]" 1
865 1 102 VAL HA 1 106 VAL H 1.800 . 5.000 4.141 3.776 4.469 . 0 0 "[ . 1 . 2]" 1
866 1 102 VAL HA 1 107 VAL HA 1.800 . 5.000 2.603 2.382 2.888 . 0 0 "[ . 1 . 2]" 1
867 1 102 VAL HA 1 108 GLN H 1.800 . 5.000 3.367 3.052 3.701 . 0 0 "[ . 1 . 2]" 1
868 1 102 VAL HB 1 105 GLY H 1.800 . 5.000 4.513 4.189 4.941 . 0 0 "[ . 1 . 2]" 1
869 1 102 VAL MG1 1 105 GLY HA3 1.800 . 5.000 3.594 3.465 3.750 . 0 0 "[ . 1 . 2]" 1
870 1 102 VAL MG1 1 105 GLY HA2 1.800 . 5.000 2.288 2.103 2.497 . 0 0 "[ . 1 . 2]" 1
871 1 102 VAL MG1 1 105 GLY H 1.800 . 5.000 2.181 1.805 2.508 . 0 0 "[ . 1 . 2]" 1
872 1 102 VAL MG1 1 106 VAL H 1.800 . 5.000 3.063 2.743 3.311 . 0 0 "[ . 1 . 2]" 1
873 1 102 VAL MG1 1 107 VAL HA 1.800 . 5.000 3.766 3.191 4.038 . 0 0 "[ . 1 . 2]" 1
874 1 102 VAL MG2 1 107 VAL HA 1.800 . 5.000 3.197 2.800 3.627 . 0 0 "[ . 1 . 2]" 1
875 1 102 VAL MG2 1 108 GLN H 1.800 . 5.000 4.412 4.076 4.708 . 0 0 "[ . 1 . 2]" 1
876 1 102 VAL H 1 108 GLN H 1.800 . 5.000 4.910 4.758 5.009 0.009 5 0 "[ . 1 . 2]" 1
877 1 103 LYS HA 1 105 GLY H 1.800 . 5.000 3.709 3.303 3.998 . 0 0 "[ . 1 . 2]" 1
878 1 103 LYS HA 1 106 VAL H 1.800 . 5.000 4.279 3.965 4.547 . 0 0 "[ . 1 . 2]" 1
879 1 103 LYS HB3 1 106 VAL H 1.800 . 5.000 3.776 3.412 4.077 . 0 0 "[ . 1 . 2]" 1
880 1 103 LYS HB3 1 108 GLN HE22 1.800 . 5.000 4.211 3.450 4.711 . 0 0 "[ . 1 . 2]" 1
881 1 103 LYS HB2 1 106 VAL H 1.800 . 5.000 4.993 4.829 5.023 0.023 2 0 "[ . 1 . 2]" 1
882 1 103 LYS HB2 1 108 GLN HE22 1.800 . 5.000 4.695 3.414 5.009 0.009 18 0 "[ . 1 . 2]" 1
883 1 103 LYS QB 1 108 GLN HE21 1.800 . 5.000 3.800 2.820 4.264 . 0 0 "[ . 1 . 2]" 1
884 1 103 LYS QB 1 108 GLN H 1.800 . 5.000 4.334 4.077 4.544 . 0 0 "[ . 1 . 2]" 1
885 1 103 LYS HD3 1 108 GLN HE21 1.800 . 5.000 3.353 2.474 4.045 . 0 0 "[ . 1 . 2]" 1
886 1 103 LYS HD3 1 108 GLN HE22 1.800 . 5.000 2.860 2.025 4.000 . 0 0 "[ . 1 . 2]" 1
887 1 103 LYS HD2 1 108 GLN HE21 1.800 . 5.000 4.500 3.176 5.015 0.015 4 0 "[ . 1 . 2]" 1
888 1 103 LYS HD2 1 108 GLN HE22 1.800 . 5.000 3.837 2.719 5.005 0.005 3 0 "[ . 1 . 2]" 1
889 1 103 LYS QE 1 108 GLN HE21 1.800 . 5.000 3.995 2.553 5.009 0.009 7 0 "[ . 1 . 2]" 1
890 1 103 LYS QE 1 108 GLN HE22 1.800 . 5.000 3.378 2.156 4.719 . 0 0 "[ . 1 . 2]" 1
891 1 103 LYS QG 1 106 VAL H 1.800 . 5.000 4.475 3.848 4.815 . 0 0 "[ . 1 . 2]" 1
892 1 103 LYS H 1 105 GLY H 1.800 . 5.000 3.764 3.530 4.047 . 0 0 "[ . 1 . 2]" 1
893 1 103 LYS H 1 106 VAL HB 1.800 . 5.000 3.643 3.448 3.878 . 0 0 "[ . 1 . 2]" 1
894 1 103 LYS H 1 106 VAL H 1.800 . 5.000 3.054 2.591 3.449 . 0 0 "[ . 1 . 2]" 1
895 1 103 LYS H 1 107 VAL HA 1.800 . 5.000 3.591 3.413 3.765 . 0 0 "[ . 1 . 2]" 1
896 1 103 LYS H 1 108 GLN QG 1.800 . 5.000 3.015 2.289 3.485 . 0 0 "[ . 1 . 2]" 1
897 1 104 ASP HA 1 106 VAL H 1.800 . 5.000 4.476 4.296 4.575 . 0 0 "[ . 1 . 2]" 1
898 1 104 ASP HB3 1 106 VAL MG2 1.800 . 5.000 3.729 2.845 5.009 0.009 20 0 "[ . 1 . 2]" 1
899 1 104 ASP HB2 1 106 VAL MG2 1.800 . 5.000 3.967 2.716 4.998 . 0 0 "[ . 1 . 2]" 1
900 1 105 GLY H 1 106 VAL HB 1.800 . 5.000 4.785 4.439 5.000 0.000 12 0 "[ . 1 . 2]" 1
901 1 106 VAL HA 1 107 VAL H 1.800 . 2.900 2.184 2.157 2.242 . 0 0 "[ . 1 . 2]" 1
902 1 106 VAL MG1 1 108 GLN HA 1.800 . 5.000 4.095 3.763 4.325 . 0 0 "[ . 1 . 2]" 1
903 1 106 VAL MG1 1 108 GLN HE21 1.800 . 5.000 4.032 3.489 5.007 0.007 3 0 "[ . 1 . 2]" 1
904 1 106 VAL MG1 1 108 GLN HE22 1.800 . 5.000 4.774 3.937 5.012 0.012 7 0 "[ . 1 . 2]" 1
905 1 106 VAL MG1 1 108 GLN QG 1.800 . 5.000 3.089 2.696 4.028 . 0 0 "[ . 1 . 2]" 1
906 1 106 VAL H 1 108 GLN QG 1.800 . 5.000 4.826 4.199 5.003 0.003 16 0 "[ . 1 . 2]" 1
907 1 107 VAL HA 1 108 GLN H 1.800 . 2.900 2.151 2.126 2.178 . 0 0 "[ . 1 . 2]" 1
908 1 108 GLN HA 1 109 LEU H 1.800 . 3.500 2.202 2.141 2.282 . 0 0 "[ . 1 . 2]" 1
909 1 109 LEU HA 1 110 ARG H 1.800 . 2.900 2.165 2.127 2.204 . 0 0 "[ . 1 . 2]" 1
910 1 110 ARG HA 1 111 GLY H 1.800 . 2.900 2.134 2.081 2.200 . 0 0 "[ . 1 . 2]" 1
911 1 111 GLY HA3 1 112 GLY H 1.800 . 3.500 2.645 2.147 3.498 . 0 0 "[ . 1 . 2]" 1
912 1 111 GLY HA2 1 112 GLY H 1.800 . 3.500 2.776 2.135 3.517 0.017 18 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 69
_Distance_constraint_stats_list.Viol_count 103
_Distance_constraint_stats_list.Viol_total 9.890
_Distance_constraint_stats_list.Viol_max 0.018
_Distance_constraint_stats_list.Viol_rms 0.0016
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0048
_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 8 LYS 0.027 0.009 6 0 "[ . 1 . 2]"
1 20 THR 0.128 0.012 20 0 "[ . 1 . 2]"
1 22 VAL 0.016 0.006 13 0 "[ . 1 . 2]"
1 24 ALA 0.086 0.017 20 0 "[ . 1 . 2]"
1 31 VAL 0.086 0.017 20 0 "[ . 1 . 2]"
1 32 ALA 0.020 0.006 20 0 "[ . 1 . 2]"
1 33 ILE 0.016 0.006 13 0 "[ . 1 . 2]"
1 34 PHE 0.001 0.001 2 0 "[ . 1 . 2]"
1 35 ARG 0.128 0.012 20 0 "[ . 1 . 2]"
1 43 PHE 0.001 0.001 2 0 "[ . 1 . 2]"
1 44 ALA 0.049 0.008 7 0 "[ . 1 . 2]"
1 45 ILE 0.020 0.006 20 0 "[ . 1 . 2]"
1 61 LEU 0.009 0.005 19 0 "[ . 1 . 2]"
1 63 ALA 0.036 0.008 13 0 "[ . 1 . 2]"
1 70 TRP 0.036 0.008 13 0 "[ . 1 . 2]"
1 71 VAL 0.008 0.005 8 0 "[ . 1 . 2]"
1 72 ALA 0.009 0.005 19 0 "[ . 1 . 2]"
1 79 ARG 0.041 0.018 11 0 "[ . 1 . 2]"
1 80 PHE 0.008 0.005 8 0 "[ . 1 . 2]"
1 88 MET 0.041 0.018 11 0 "[ . 1 . 2]"
1 98 TYR 0.049 0.008 7 0 "[ . 1 . 2]"
1 99 GLU 0.070 0.010 3 0 "[ . 1 . 2]"
1 101 ARG 0.004 0.004 12 0 "[ . 1 . 2]"
1 108 GLN 0.004 0.004 12 0 "[ . 1 . 2]"
1 109 LEU 0.027 0.009 6 0 "[ . 1 . 2]"
1 110 ARG 0.070 0.010 3 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 8 LYS H 1 109 LEU C 2.900 2.900 3.400 3.114 2.899 3.370 0.001 15 0 "[ . 1 . 2]" 2
2 1 8 LYS H 1 109 LEU O 1.700 . 2.300 2.008 1.814 2.240 . 0 0 "[ . 1 . 2]" 2
3 1 8 LYS N 1 109 LEU O 2.700 2.700 3.200 2.931 2.773 3.145 . 0 0 "[ . 1 . 2]" 2
4 1 20 THR H 1 35 ARG C 2.900 2.900 3.400 3.352 3.199 3.406 0.006 6 0 "[ . 1 . 2]" 2
5 1 20 THR H 1 35 ARG O 1.700 . 2.300 2.291 2.121 2.312 0.012 20 0 "[ . 1 . 2]" 2
6 1 20 THR N 1 35 ARG O 2.700 2.700 3.200 3.119 2.879 3.202 0.002 10 0 "[ . 1 . 2]" 2
7 1 22 VAL H 1 33 ILE C 2.900 2.900 3.400 2.959 2.894 3.128 0.006 13 0 "[ . 1 . 2]" 2
8 1 22 VAL H 1 33 ILE O 1.700 . 2.300 1.870 1.722 2.019 . 0 0 "[ . 1 . 2]" 2
9 1 22 VAL N 1 33 ILE O 2.700 2.700 3.200 2.821 2.704 2.950 . 0 0 "[ . 1 . 2]" 2
10 1 24 ALA H 1 31 VAL C 2.900 2.900 3.400 3.016 2.897 3.179 0.003 13 0 "[ . 1 . 2]" 2
11 1 24 ALA H 1 31 VAL O 1.700 . 2.300 1.819 1.721 1.966 . 0 0 "[ . 1 . 2]" 2
12 1 24 ALA N 1 31 VAL O 2.700 2.700 3.200 2.768 2.699 2.890 0.001 8 0 "[ . 1 . 2]" 2
13 1 24 ALA C 1 31 VAL H 2.900 2.900 3.400 2.942 2.883 3.102 0.017 20 0 "[ . 1 . 2]" 2
14 1 24 ALA O 1 31 VAL H 1.700 . 2.300 1.866 1.717 2.112 . 0 0 "[ . 1 . 2]" 2
15 1 24 ALA O 1 31 VAL N 2.700 2.700 3.200 2.813 2.694 2.966 0.006 8 0 "[ . 1 . 2]" 2
16 1 32 ALA H 1 45 ILE C 2.900 2.900 3.400 2.958 2.898 3.050 0.002 13 0 "[ . 1 . 2]" 2
17 1 32 ALA H 1 45 ILE O 1.700 . 2.300 1.766 1.725 1.854 . 0 0 "[ . 1 . 2]" 2
18 1 32 ALA N 1 45 ILE O 2.700 2.700 3.200 2.719 2.694 2.764 0.006 20 0 "[ . 1 . 2]" 2
19 1 22 VAL C 1 33 ILE H 2.900 2.900 3.400 3.115 2.987 3.337 . 0 0 "[ . 1 . 2]" 2
20 1 22 VAL O 1 33 ILE H 1.700 . 2.300 2.004 1.771 2.203 . 0 0 "[ . 1 . 2]" 2
21 1 22 VAL O 1 33 ILE N 2.700 2.700 3.200 2.913 2.697 3.115 0.003 1 0 "[ . 1 . 2]" 2
22 1 34 PHE H 1 43 PHE C 2.900 2.900 3.400 2.999 2.922 3.079 . 0 0 "[ . 1 . 2]" 2
23 1 34 PHE H 1 43 PHE O 1.700 . 2.300 1.796 1.712 1.881 . 0 0 "[ . 1 . 2]" 2
24 1 34 PHE N 1 43 PHE O 2.700 2.700 3.200 2.755 2.699 2.834 0.001 2 0 "[ . 1 . 2]" 2
25 1 20 THR C 1 35 ARG H 2.900 2.900 3.400 3.069 2.917 3.211 . 0 0 "[ . 1 . 2]" 2
26 1 20 THR O 1 35 ARG H 1.700 . 2.300 1.875 1.772 2.018 . 0 0 "[ . 1 . 2]" 2
27 1 20 THR O 1 35 ARG N 2.700 2.700 3.200 2.838 2.753 2.982 . 0 0 "[ . 1 . 2]" 2
28 1 34 PHE C 1 43 PHE H 2.900 2.900 3.400 3.051 2.945 3.138 . 0 0 "[ . 1 . 2]" 2
29 1 34 PHE O 1 43 PHE H 1.700 . 2.300 1.885 1.787 1.995 . 0 0 "[ . 1 . 2]" 2
30 1 34 PHE O 1 43 PHE N 2.700 2.700 3.200 2.860 2.771 2.962 . 0 0 "[ . 1 . 2]" 2
31 1 32 ALA C 1 45 ILE H 2.900 2.900 3.400 3.157 2.955 3.346 . 0 0 "[ . 1 . 2]" 2
32 1 32 ALA O 1 45 ILE H 1.700 . 2.300 2.061 1.863 2.279 . 0 0 "[ . 1 . 2]" 2
33 1 32 ALA O 1 45 ILE N 2.700 2.700 3.200 3.006 2.827 3.203 0.003 11 0 "[ . 1 . 2]" 2
34 1 63 ALA H 1 70 TRP C 2.900 2.900 3.400 2.976 2.898 3.068 0.002 17 0 "[ . 1 . 2]" 2
35 1 63 ALA H 1 70 TRP O 1.700 . 2.300 1.777 1.714 1.870 . 0 0 "[ . 1 . 2]" 2
36 1 63 ALA N 1 70 TRP O 2.700 2.700 3.200 2.741 2.692 2.811 0.008 12 0 "[ . 1 . 2]" 2
37 1 63 ALA C 1 70 TRP H 2.900 2.900 3.400 3.061 2.892 3.233 0.008 13 0 "[ . 1 . 2]" 2
38 1 63 ALA O 1 70 TRP H 1.700 . 2.300 1.935 1.766 2.302 0.002 3 0 "[ . 1 . 2]" 2
39 1 63 ALA O 1 70 TRP N 2.700 2.700 3.200 2.867 2.699 3.189 0.001 8 0 "[ . 1 . 2]" 2
40 1 71 VAL H 1 80 PHE C 2.900 2.900 3.400 2.981 2.903 3.078 . 0 0 "[ . 1 . 2]" 2
41 1 71 VAL H 1 80 PHE O 1.700 . 2.300 1.819 1.731 1.896 . 0 0 "[ . 1 . 2]" 2
42 1 71 VAL N 1 80 PHE O 2.700 2.700 3.200 2.772 2.703 2.854 . 0 0 "[ . 1 . 2]" 2
43 1 61 LEU C 1 72 ALA H 2.900 2.900 3.400 2.974 2.895 3.103 0.005 19 0 "[ . 1 . 2]" 2
44 1 61 LEU O 1 72 ALA H 1.700 . 2.300 1.791 1.717 1.930 . 0 0 "[ . 1 . 2]" 2
45 1 61 LEU O 1 72 ALA N 2.700 2.700 3.200 2.757 2.698 2.867 0.002 10 0 "[ . 1 . 2]" 2
46 1 71 VAL C 1 80 PHE H 2.900 2.900 3.400 3.074 2.898 3.364 0.002 2 0 "[ . 1 . 2]" 2
47 1 71 VAL O 1 80 PHE H 1.700 . 2.300 1.963 1.748 2.251 . 0 0 "[ . 1 . 2]" 2
48 1 71 VAL O 1 80 PHE N 2.700 2.700 3.200 2.926 2.718 3.205 0.005 8 0 "[ . 1 . 2]" 2
49 1 79 ARG C 1 88 MET H 2.900 2.900 3.400 3.254 2.914 3.418 0.018 11 0 "[ . 1 . 2]" 2
50 1 79 ARG O 1 88 MET H 1.700 . 2.300 2.064 1.733 2.304 0.004 20 0 "[ . 1 . 2]" 2
51 1 79 ARG O 1 88 MET N 2.700 2.700 3.200 3.005 2.703 3.199 . 0 0 "[ . 1 . 2]" 2
52 1 44 ALA C 1 98 TYR H 2.900 2.900 3.400 2.968 2.892 3.233 0.008 7 0 "[ . 1 . 2]" 2
53 1 44 ALA O 1 98 TYR H 1.700 . 2.300 1.891 1.767 2.111 . 0 0 "[ . 1 . 2]" 2
54 1 44 ALA O 1 98 TYR N 2.700 2.700 3.200 2.833 2.742 3.062 . 0 0 "[ . 1 . 2]" 2
55 1 99 GLU H 1 110 ARG C 2.900 2.900 3.400 3.295 3.086 3.410 0.010 3 0 "[ . 1 . 2]" 2
56 1 99 GLU H 1 110 ARG O 1.700 . 2.300 2.146 1.887 2.287 . 0 0 "[ . 1 . 2]" 2
57 1 99 GLU N 1 110 ARG O 2.700 2.700 3.200 3.055 2.763 3.202 0.002 17 0 "[ . 1 . 2]" 2
58 1 101 ARG H 1 108 GLN C 2.900 2.900 3.400 3.202 3.068 3.301 . 0 0 "[ . 1 . 2]" 2
59 1 101 ARG H 1 108 GLN O 1.700 . 2.300 2.095 1.921 2.304 0.004 12 0 "[ . 1 . 2]" 2
60 1 101 ARG N 1 108 GLN O 2.700 2.700 3.200 3.023 2.861 3.198 . 0 0 "[ . 1 . 2]" 2
61 1 101 ARG C 1 108 GLN H 2.900 2.900 3.400 3.042 2.933 3.180 . 0 0 "[ . 1 . 2]" 2
62 1 101 ARG O 1 108 GLN H 1.700 . 2.300 1.846 1.729 2.043 . 0 0 "[ . 1 . 2]" 2
63 1 101 ARG O 1 108 GLN N 2.700 2.700 3.200 2.818 2.712 2.970 . 0 0 "[ . 1 . 2]" 2
64 1 8 LYS C 1 109 LEU H 2.900 2.900 3.400 3.030 2.891 3.242 0.009 6 0 "[ . 1 . 2]" 2
65 1 8 LYS O 1 109 LEU H 1.700 . 2.300 2.053 1.844 2.242 . 0 0 "[ . 1 . 2]" 2
66 1 8 LYS O 1 109 LEU N 2.700 2.700 3.200 2.982 2.806 3.175 . 0 0 "[ . 1 . 2]" 2
67 1 99 GLU C 1 110 ARG H 2.900 2.900 3.400 2.914 2.892 2.964 0.008 6 0 "[ . 1 . 2]" 2
68 1 99 GLU O 1 110 ARG H 1.700 . 2.300 1.771 1.724 1.894 . 0 0 "[ . 1 . 2]" 2
69 1 99 GLU O 1 110 ARG N 2.700 2.700 3.200 2.736 2.695 2.848 0.005 2 0 "[ . 1 . 2]" 2
stop_
save_
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