NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
430520 |
2joe   |
15167 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2joe
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 1095
_Distance_constraint_stats_list.Viol_count 1528
_Distance_constraint_stats_list.Viol_total 211.709
_Distance_constraint_stats_list.Viol_max 0.101
_Distance_constraint_stats_list.Viol_rms 0.0025
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0069
_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 GLU 0.116 0.018 5 0 "[ . 1 . 2]"
1 6 GLU 0.189 0.015 5 0 "[ . 1 . 2]"
1 7 SER 0.053 0.009 11 0 "[ . 1 . 2]"
1 8 LYS 0.264 0.025 7 0 "[ . 1 . 2]"
1 9 LYS 0.332 0.029 2 0 "[ . 1 . 2]"
1 10 PHE 0.196 0.010 8 0 "[ . 1 . 2]"
1 11 SER 0.505 0.101 10 0 "[ . 1 . 2]"
1 12 ALA 0.190 0.016 4 0 "[ . 1 . 2]"
1 13 ASN 0.029 0.006 8 0 "[ . 1 . 2]"
1 14 LEU 0.254 0.021 17 0 "[ . 1 . 2]"
1 15 ASN 0.144 0.025 9 0 "[ . 1 . 2]"
1 16 GLY 0.141 0.025 9 0 "[ . 1 . 2]"
1 17 THR 0.061 0.006 15 0 "[ . 1 . 2]"
1 18 GLU 0.341 0.015 13 0 "[ . 1 . 2]"
1 19 ILE 0.317 0.015 4 0 "[ . 1 . 2]"
1 20 ALA 0.276 0.101 10 0 "[ . 1 . 2]"
1 21 ILE 0.095 0.007 4 0 "[ . 1 . 2]"
1 22 THR 0.025 0.009 8 0 "[ . 1 . 2]"
1 23 TYR 0.313 0.025 7 0 "[ . 1 . 2]"
1 24 VAL 0.228 0.017 9 0 "[ . 1 . 2]"
1 25 TYR 0.245 0.016 5 0 "[ . 1 . 2]"
1 26 LYS 0.205 0.018 5 0 "[ . 1 . 2]"
1 27 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ASP 0.002 0.002 10 0 "[ . 1 . 2]"
1 29 LYS 0.243 0.019 3 0 "[ . 1 . 2]"
1 30 VAL 0.126 0.011 11 0 "[ . 1 . 2]"
1 31 LEU 0.293 0.019 3 0 "[ . 1 . 2]"
1 32 LYS 0.241 0.017 9 0 "[ . 1 . 2]"
1 33 GLN 0.104 0.011 1 0 "[ . 1 . 2]"
1 34 SER 0.040 0.014 10 0 "[ . 1 . 2]"
1 35 SER 0.052 0.012 12 0 "[ . 1 . 2]"
1 36 GLU 0.468 0.034 1 0 "[ . 1 . 2]"
1 37 THR 0.315 0.015 4 0 "[ . 1 . 2]"
1 38 LYS 0.442 0.015 13 0 "[ . 1 . 2]"
1 39 ILE 0.028 0.005 19 0 "[ . 1 . 2]"
1 40 GLN 0.100 0.013 14 0 "[ . 1 . 2]"
1 41 PHE 0.069 0.008 1 0 "[ . 1 . 2]"
1 42 ALA 0.021 0.005 4 0 "[ . 1 . 2]"
1 43 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ILE 0.107 0.007 18 0 "[ . 1 . 2]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ALA 0.105 0.010 4 0 "[ . 1 . 2]"
1 47 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 THR 0.051 0.015 10 0 "[ . 1 . 2]"
1 49 LYS 0.003 0.001 6 0 "[ . 1 . 2]"
1 50 GLU 0.008 0.005 10 0 "[ . 1 . 2]"
1 51 ASP 0.054 0.015 10 0 "[ . 1 . 2]"
1 52 ALA 0.029 0.014 19 0 "[ . 1 . 2]"
1 53 ALA 0.148 0.019 10 0 "[ . 1 . 2]"
1 54 LYS 0.007 0.004 8 0 "[ . 1 . 2]"
1 55 THR 0.044 0.007 18 0 "[ . 1 . 2]"
1 56 LEU 0.066 0.014 14 0 "[ . 1 . 2]"
1 57 GLU 0.382 0.019 10 0 "[ . 1 . 2]"
1 58 PRO 0.191 0.014 5 0 "[ . 1 . 2]"
1 59 LEU 0.110 0.014 14 0 "[ . 1 . 2]"
1 60 SER 0.038 0.006 7 0 "[ . 1 . 2]"
1 61 ALA 0.013 0.008 13 0 "[ . 1 . 2]"
1 62 LYS 0.102 0.015 11 0 "[ . 1 . 2]"
1 63 TYR 0.318 0.019 18 0 "[ . 1 . 2]"
1 64 LYS 0.255 0.030 5 0 "[ . 1 . 2]"
1 65 ASN 0.035 0.022 11 0 "[ . 1 . 2]"
1 66 ILE 0.516 0.032 5 0 "[ . 1 . 2]"
1 67 ALA 0.267 0.021 3 0 "[ . 1 . 2]"
1 68 GLY 0.019 0.005 18 0 "[ . 1 . 2]"
1 69 VAL 0.781 0.030 19 0 "[ . 1 . 2]"
1 70 GLU 0.100 0.015 12 0 "[ . 1 . 2]"
1 71 GLU 0.009 0.005 15 0 "[ . 1 . 2]"
1 72 LYS 0.057 0.009 8 0 "[ . 1 . 2]"
1 73 LEU 0.195 0.016 3 0 "[ . 1 . 2]"
1 74 THR 0.161 0.018 19 0 "[ . 1 . 2]"
1 75 TYR 0.065 0.010 19 0 "[ . 1 . 2]"
1 76 THR 0.277 0.023 13 0 "[ . 1 . 2]"
1 77 ASP 0.264 0.023 13 0 "[ . 1 . 2]"
1 78 THR 0.061 0.016 20 0 "[ . 1 . 2]"
1 79 TYR 0.062 0.009 1 0 "[ . 1 . 2]"
1 80 ALA 0.016 0.010 19 0 "[ . 1 . 2]"
1 81 GLN 0.164 0.018 19 0 "[ . 1 . 2]"
1 82 GLU 0.104 0.016 3 0 "[ . 1 . 2]"
1 83 ASN 0.051 0.010 6 0 "[ . 1 . 2]"
1 84 VAL 0.528 0.034 1 0 "[ . 1 . 2]"
1 85 THR 0.309 0.016 9 0 "[ . 1 . 2]"
1 86 ILE 0.007 0.004 18 0 "[ . 1 . 2]"
1 87 ASP 0.051 0.013 2 0 "[ . 1 . 2]"
1 88 MET 0.270 0.013 13 0 "[ . 1 . 2]"
1 89 GLU 0.195 0.019 10 0 "[ . 1 . 2]"
1 90 LYS 0.068 0.013 2 0 "[ . 1 . 2]"
1 91 VAL 0.461 0.032 5 0 "[ . 1 . 2]"
1 92 ASP 0.230 0.030 19 0 "[ . 1 . 2]"
1 93 PHE 0.451 0.029 14 0 "[ . 1 . 2]"
1 94 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ALA 0.009 0.004 6 0 "[ . 1 . 2]"
1 96 LEU 0.345 0.029 14 0 "[ . 1 . 2]"
1 97 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 GLY 0.001 0.001 10 0 "[ . 1 . 2]"
1 99 ILE 0.212 0.018 9 0 "[ . 1 . 2]"
1 100 SER 0.307 0.021 6 0 "[ . 1 . 2]"
1 101 GLY 0.185 0.021 6 0 "[ . 1 . 2]"
1 102 ILE 0.226 0.015 1 0 "[ . 1 . 2]"
1 103 ASN 0.066 0.018 11 0 "[ . 1 . 2]"
1 104 VAL 0.290 0.025 5 0 "[ . 1 . 2]"
1 105 SER 0.268 0.025 5 0 "[ . 1 . 2]"
1 106 ALA 0.038 0.028 7 0 "[ . 1 . 2]"
1 107 GLU 0.003 0.003 4 0 "[ . 1 . 2]"
1 108 ASP 0.318 0.024 7 0 "[ . 1 . 2]"
1 109 ALA 0.060 0.017 8 0 "[ . 1 . 2]"
1 110 LYS 0.045 0.028 7 0 "[ . 1 . 2]"
1 111 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 GLY 0.023 0.006 17 0 "[ . 1 . 2]"
1 113 ILE 0.309 0.024 7 0 "[ . 1 . 2]"
1 114 THR 0.111 0.013 6 0 "[ . 1 . 2]"
1 115 MET 0.065 0.011 15 0 "[ . 1 . 2]"
1 116 ALA 0.019 0.008 17 0 "[ . 1 . 2]"
1 117 GLN 0.597 0.031 11 0 "[ . 1 . 2]"
1 118 MET 0.554 0.023 6 0 "[ . 1 . 2]"
1 119 GLU 0.094 0.017 16 0 "[ . 1 . 2]"
1 120 LEU 0.097 0.015 7 0 "[ . 1 . 2]"
1 121 VAL 0.950 0.031 11 0 "[ . 1 . 2]"
1 122 MET 0.119 0.017 16 0 "[ . 1 . 2]"
1 123 LYS 0.001 0.001 18 0 "[ . 1 . 2]"
1 124 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 ALA 0.236 0.021 17 0 "[ . 1 . 2]"
1 126 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 PHE 0.061 0.007 13 0 "[ . 1 . 2]"
1 128 LYS 0.063 0.011 16 0 "[ . 1 . 2]"
1 129 GLU 0.045 0.015 10 0 "[ . 1 . 2]"
1 130 VAL 0.371 0.029 2 0 "[ . 1 . 2]"
1 131 LYS 0.074 0.017 6 0 "[ . 1 . 2]"
1 132 LEU 0.145 0.022 1 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 GLU HA 1 24 VAL QG 1.800 . 5.000 3.535 2.368 4.644 . 0 0 "[ . 1 . 2]" 1
2 1 5 GLU HA 1 26 LYS HA 1.800 . 4.000 3.239 2.187 4.018 0.018 5 0 "[ . 1 . 2]" 1
3 1 5 GLU HA 1 26 LYS QG 1.800 . 5.000 2.852 1.833 3.996 . 0 0 "[ . 1 . 2]" 1
4 1 5 GLU HA 1 6 GLU H 1.800 . 2.900 2.233 2.090 2.743 . 0 0 "[ . 1 . 2]" 1
5 1 5 GLU HB3 1 24 VAL MG1 1.800 . 5.000 2.836 1.847 4.714 . 0 0 "[ . 1 . 2]" 1
6 1 5 GLU HB3 1 26 LYS QE 1.800 . 5.000 4.339 2.194 5.011 0.011 6 0 "[ . 1 . 2]" 1
7 1 5 GLU HB2 1 24 VAL MG1 1.800 . 5.000 3.403 1.995 4.910 . 0 0 "[ . 1 . 2]" 1
8 1 5 GLU HB2 1 26 LYS QE 1.800 . 5.000 4.190 1.803 5.007 0.007 17 0 "[ . 1 . 2]" 1
9 1 5 GLU HG3 1 24 VAL MG1 1.800 . 5.000 3.694 2.269 4.723 . 0 0 "[ . 1 . 2]" 1
10 1 5 GLU HG3 1 26 LYS QE 1.800 . 5.000 3.054 1.977 4.832 . 0 0 "[ . 1 . 2]" 1
11 1 5 GLU HG3 1 26 LYS QG 1.800 . 5.000 3.848 2.879 5.012 0.012 4 0 "[ . 1 . 2]" 1
12 1 5 GLU HG2 1 24 VAL MG1 1.800 . 5.000 3.381 2.006 4.481 . 0 0 "[ . 1 . 2]" 1
13 1 5 GLU HG2 1 26 LYS QE 1.800 . 5.000 3.273 1.810 4.681 . 0 0 "[ . 1 . 2]" 1
14 1 5 GLU HG2 1 26 LYS QG 1.800 . 5.000 3.994 2.144 5.012 0.012 2 0 "[ . 1 . 2]" 1
15 1 5 GLU QG 1 26 LYS QD 1.800 . 5.000 3.455 1.850 4.660 . 0 0 "[ . 1 . 2]" 1
16 1 5 GLU H 1 26 LYS QE 1.800 . 5.000 3.923 2.801 5.008 0.008 16 0 "[ . 1 . 2]" 1
17 1 5 GLU H 1 26 LYS QG 1.800 . 5.000 3.865 1.859 4.852 . 0 0 "[ . 1 . 2]" 1
18 1 5 GLU H 1 6 GLU H 1.800 . 5.000 4.161 3.064 4.626 . 0 0 "[ . 1 . 2]" 1
19 1 6 GLU HA 1 7 SER H 1.800 . 2.900 2.207 2.096 2.424 . 0 0 "[ . 1 . 2]" 1
20 1 6 GLU HB3 1 25 TYR QE 1.800 . 5.000 3.196 2.686 3.783 . 0 0 "[ . 1 . 2]" 1
21 1 6 GLU HB2 1 25 TYR QE 1.800 . 5.000 3.419 2.599 4.554 . 0 0 "[ . 1 . 2]" 1
22 1 6 GLU QG 1 25 TYR QE 1.800 . 5.000 3.419 2.540 4.211 . 0 0 "[ . 1 . 2]" 1
23 1 6 GLU QG 1 25 TYR H 1.800 . 5.000 4.819 4.227 5.008 0.008 8 0 "[ . 1 . 2]" 1
24 1 6 GLU H 1 24 VAL QG 1.800 . 5.000 3.215 2.840 3.728 . 0 0 "[ . 1 . 2]" 1
25 1 6 GLU H 1 24 VAL MG2 1.800 . 5.000 5.007 4.981 5.015 0.015 5 0 "[ . 1 . 2]" 1
26 1 6 GLU H 1 25 TYR H 1.800 . 4.000 3.210 2.765 3.526 . 0 0 "[ . 1 . 2]" 1
27 1 6 GLU H 1 26 LYS HA 1.800 . 4.000 3.545 3.111 3.940 . 0 0 "[ . 1 . 2]" 1
28 1 6 GLU H 1 26 LYS QB 1.800 . 5.000 4.528 3.819 5.008 0.008 4 0 "[ . 1 . 2]" 1
29 1 6 GLU H 1 7 SER H 1.800 . 5.000 4.448 4.284 4.550 . 0 0 "[ . 1 . 2]" 1
30 1 7 SER HA 1 22 THR MG 1.800 . 5.000 3.654 3.134 4.171 . 0 0 "[ . 1 . 2]" 1
31 1 7 SER HA 1 24 VAL HA 1.800 . 3.000 2.347 2.004 2.752 . 0 0 "[ . 1 . 2]" 1
32 1 7 SER HA 1 24 VAL MG1 1.800 . 5.000 3.669 3.072 4.414 . 0 0 "[ . 1 . 2]" 1
33 1 7 SER HA 1 24 VAL MG2 1.800 . 5.000 2.648 2.170 3.326 . 0 0 "[ . 1 . 2]" 1
34 1 7 SER HA 1 25 TYR QD 1.800 . 5.000 4.068 3.290 4.427 . 0 0 "[ . 1 . 2]" 1
35 1 7 SER HA 1 25 TYR QE 1.800 . 5.000 4.320 3.370 5.004 0.004 9 0 "[ . 1 . 2]" 1
36 1 7 SER HA 1 25 TYR H 1.800 . 4.000 3.632 3.283 4.008 0.008 10 0 "[ . 1 . 2]" 1
37 1 7 SER HA 1 8 LYS H 1.800 . 3.500 2.147 2.112 2.207 . 0 0 "[ . 1 . 2]" 1
38 1 7 SER HB3 1 132 LEU MD2 1.800 . 5.000 3.255 2.385 3.894 . 0 0 "[ . 1 . 2]" 1
39 1 7 SER HB3 1 22 THR MG 1.800 . 5.000 3.014 2.032 4.079 . 0 0 "[ . 1 . 2]" 1
40 1 7 SER HB3 1 24 VAL MG2 1.800 . 5.000 3.116 2.015 4.220 . 0 0 "[ . 1 . 2]" 1
41 1 7 SER HB2 1 132 LEU MD2 1.800 . 5.000 3.245 2.018 5.009 0.009 11 0 "[ . 1 . 2]" 1
42 1 7 SER HB2 1 22 THR MG 1.800 . 5.000 3.555 2.436 4.324 . 0 0 "[ . 1 . 2]" 1
43 1 7 SER HB2 1 24 VAL MG2 1.800 . 5.000 3.481 2.093 4.639 . 0 0 "[ . 1 . 2]" 1
44 1 7 SER H 1 25 TYR QE 1.800 . 5.000 4.744 3.504 5.008 0.008 8 0 "[ . 1 . 2]" 1
45 1 7 SER H 1 8 LYS H 1.800 . 5.000 4.335 4.203 4.494 . 0 0 "[ . 1 . 2]" 1
46 1 8 LYS HA 1 131 LYS HA 1.800 . 4.000 3.625 2.353 4.017 0.017 6 0 "[ . 1 . 2]" 1
47 1 8 LYS HA 1 132 LEU QD 1.800 . 5.000 3.655 2.223 4.833 . 0 0 "[ . 1 . 2]" 1
48 1 8 LYS HA 1 9 LYS H 1.800 . 2.900 2.161 2.089 2.244 . 0 0 "[ . 1 . 2]" 1
49 1 8 LYS HB3 1 23 TYR QD 1.800 . 5.000 3.273 1.782 4.459 0.018 7 0 "[ . 1 . 2]" 1
50 1 8 LYS HB3 1 23 TYR QE 1.800 . 5.000 3.337 2.302 4.614 . 0 0 "[ . 1 . 2]" 1
51 1 8 LYS HB3 1 25 TYR QD 1.800 . 5.000 4.187 3.128 5.015 0.015 9 0 "[ . 1 . 2]" 1
52 1 8 LYS HB3 1 25 TYR QE 1.800 . 5.000 3.456 2.222 4.655 . 0 0 "[ . 1 . 2]" 1
53 1 8 LYS HB2 1 23 TYR QD 1.800 . 5.000 3.823 2.740 5.002 0.002 13 0 "[ . 1 . 2]" 1
54 1 8 LYS HB2 1 23 TYR QE 1.800 . 5.000 4.027 2.629 5.025 0.025 7 0 "[ . 1 . 2]" 1
55 1 8 LYS HB2 1 25 TYR QD 1.800 . 5.000 3.524 2.666 4.379 . 0 0 "[ . 1 . 2]" 1
56 1 8 LYS HB2 1 25 TYR QE 1.800 . 5.000 2.383 1.796 3.972 0.004 15 0 "[ . 1 . 2]" 1
57 1 8 LYS QD 1 115 MET ME 1.800 . 5.000 3.093 1.799 5.003 0.003 8 0 "[ . 1 . 2]" 1
58 1 8 LYS QE 1 25 TYR QE 1.800 . 5.000 3.987 2.361 5.011 0.011 11 0 "[ . 1 . 2]" 1
59 1 8 LYS HG3 1 25 TYR QE 1.800 . 5.000 3.545 1.799 4.956 0.001 9 0 "[ . 1 . 2]" 1
60 1 8 LYS HG2 1 25 TYR QE 1.800 . 5.000 3.516 1.784 4.969 0.016 5 0 "[ . 1 . 2]" 1
61 1 8 LYS H 1 22 THR MG 1.800 . 5.000 3.520 2.631 4.027 . 0 0 "[ . 1 . 2]" 1
62 1 8 LYS H 1 23 TYR QB 1.800 . 5.000 4.191 2.608 4.946 . 0 0 "[ . 1 . 2]" 1
63 1 8 LYS H 1 23 TYR H 1.800 . 4.000 3.289 2.600 3.692 . 0 0 "[ . 1 . 2]" 1
64 1 8 LYS H 1 24 VAL MG2 1.800 . 5.000 4.032 3.672 4.459 . 0 0 "[ . 1 . 2]" 1
65 1 8 LYS H 1 25 TYR QD 1.800 . 5.000 3.584 2.950 4.154 . 0 0 "[ . 1 . 2]" 1
66 1 8 LYS H 1 25 TYR QE 1.800 . 5.000 3.561 2.489 4.416 . 0 0 "[ . 1 . 2]" 1
67 1 9 LYS HA 1 10 PHE H 1.800 . 3.500 2.189 2.139 2.260 . 0 0 "[ . 1 . 2]" 1
68 1 9 LYS HA 1 130 VAL QG 1.800 . 5.000 4.892 4.081 5.029 0.029 2 0 "[ . 1 . 2]" 1
69 1 9 LYS HA 1 22 THR HA 1.800 . 3.000 1.990 1.799 2.382 0.001 10 0 "[ . 1 . 2]" 1
70 1 9 LYS HA 1 22 THR MG 1.800 . 5.000 3.038 2.454 3.538 . 0 0 "[ . 1 . 2]" 1
71 1 9 LYS HA 1 23 TYR H 1.800 . 4.000 3.327 2.906 3.736 . 0 0 "[ . 1 . 2]" 1
72 1 9 LYS HB3 1 130 VAL QG 1.800 . 5.000 3.337 2.741 3.944 . 0 0 "[ . 1 . 2]" 1
73 1 9 LYS HB3 1 132 LEU QD 1.800 . 5.000 2.885 2.155 3.803 . 0 0 "[ . 1 . 2]" 1
74 1 9 LYS HB3 1 22 THR MG 1.800 . 5.000 3.621 3.317 4.444 . 0 0 "[ . 1 . 2]" 1
75 1 9 LYS HB2 1 130 VAL QG 1.800 . 5.000 4.536 3.903 5.008 0.008 2 0 "[ . 1 . 2]" 1
76 1 9 LYS HB2 1 132 LEU QD 1.800 . 5.000 2.557 1.799 3.394 0.001 15 0 "[ . 1 . 2]" 1
77 1 9 LYS HB2 1 22 THR MG 1.800 . 5.000 2.075 1.797 2.973 0.003 10 0 "[ . 1 . 2]" 1
78 1 9 LYS QD 1 130 VAL QG 1.800 . 5.000 3.052 2.301 4.578 . 0 0 "[ . 1 . 2]" 1
79 1 9 LYS QD 1 132 LEU QD 1.800 . 5.000 3.054 1.797 4.557 0.003 4 0 "[ . 1 . 2]" 1
80 1 9 LYS QE 1 130 VAL MG1 1.800 . 5.000 3.745 2.097 4.997 . 0 0 "[ . 1 . 2]" 1
81 1 9 LYS QE 1 130 VAL QG 1.800 . 5.000 3.378 2.079 4.666 . 0 0 "[ . 1 . 2]" 1
82 1 9 LYS QE 1 132 LEU QB 1.800 . 5.000 4.434 2.817 5.022 0.022 1 0 "[ . 1 . 2]" 1
83 1 9 LYS QE 1 132 LEU QD 1.800 . 5.000 3.096 1.798 4.626 0.002 11 0 "[ . 1 . 2]" 1
84 1 9 LYS QE 1 20 ALA MB 1.800 . 5.000 3.545 1.920 4.752 . 0 0 "[ . 1 . 2]" 1
85 1 9 LYS QE 1 22 THR MG 1.800 . 5.000 3.674 2.682 5.003 0.003 4 0 "[ . 1 . 2]" 1
86 1 9 LYS HG3 1 130 VAL QG 1.800 . 5.000 4.362 3.582 4.835 . 0 0 "[ . 1 . 2]" 1
87 1 9 LYS HG2 1 130 VAL QG 1.800 . 5.000 3.189 2.230 3.536 . 0 0 "[ . 1 . 2]" 1
88 1 9 LYS QG 1 20 ALA MB 1.800 . 5.000 3.025 2.358 3.667 . 0 0 "[ . 1 . 2]" 1
89 1 9 LYS H 1 10 PHE H 1.800 . 5.000 4.369 4.066 4.535 . 0 0 "[ . 1 . 2]" 1
90 1 9 LYS H 1 132 LEU MD1 1.800 . 5.000 3.746 2.435 5.003 0.003 13 0 "[ . 1 . 2]" 1
91 1 9 LYS H 1 132 LEU MD2 1.800 . 5.000 4.260 2.508 5.013 0.013 3 0 "[ . 1 . 2]" 1
92 1 10 PHE HA 1 11 SER H 1.800 . 3.500 2.353 2.245 2.500 . 0 0 "[ . 1 . 2]" 1
93 1 10 PHE HA 1 129 GLU HA 1.800 . 4.000 2.334 1.795 2.885 0.005 9 0 "[ . 1 . 2]" 1
94 1 10 PHE HA 1 129 GLU QB 1.800 . 5.000 4.110 3.247 5.004 0.004 7 0 "[ . 1 . 2]" 1
95 1 10 PHE HA 1 130 VAL MG2 1.800 . 5.000 2.523 2.004 3.015 . 0 0 "[ . 1 . 2]" 1
96 1 10 PHE HA 1 130 VAL H 1.800 . 4.000 2.072 1.795 2.586 0.005 6 0 "[ . 1 . 2]" 1
97 1 10 PHE HB3 1 23 TYR QE 1.800 . 5.000 3.405 2.700 3.686 . 0 0 "[ . 1 . 2]" 1
98 1 10 PHE HB2 1 23 TYR QE 1.800 . 5.000 4.910 4.369 5.006 0.006 11 0 "[ . 1 . 2]" 1
99 1 10 PHE QD 1 122 MET ME 1.800 . 5.000 4.310 3.744 5.004 0.004 7 0 "[ . 1 . 2]" 1
100 1 10 PHE QD 1 12 ALA MB 1.800 . 5.000 3.118 2.554 3.580 . 0 0 "[ . 1 . 2]" 1
101 1 10 PHE QD 1 21 ILE H 1.800 . 5.000 3.745 3.406 4.059 . 0 0 "[ . 1 . 2]" 1
102 1 10 PHE QD 1 23 TYR QE 1.800 . 9.000 1.899 1.790 2.545 0.010 8 0 "[ . 1 . 2]" 1
103 1 10 PHE QE 1 12 ALA MB 1.800 . 5.000 2.891 1.965 3.974 . 0 0 "[ . 1 . 2]" 1
104 1 10 PHE QE 1 21 ILE H 1.800 . 5.000 3.849 3.457 4.363 . 0 0 "[ . 1 . 2]" 1
105 1 10 PHE H 1 130 VAL MG2 1.800 . 5.000 4.606 3.641 5.009 0.009 12 0 "[ . 1 . 2]" 1
106 1 10 PHE H 1 22 THR HA 1.800 . 4.000 3.590 3.097 3.817 . 0 0 "[ . 1 . 2]" 1
107 1 10 PHE HZ 1 122 MET ME 1.800 . 5.000 3.073 2.538 4.019 . 0 0 "[ . 1 . 2]" 1
108 1 10 PHE HZ 1 19 ILE HB 1.800 . 5.000 4.802 3.997 5.005 0.005 10 0 "[ . 1 . 2]" 1
109 1 10 PHE HZ 1 19 ILE MD 1.800 . 5.000 4.903 4.394 5.007 0.007 18 0 "[ . 1 . 2]" 1
110 1 10 PHE HZ 1 19 ILE MG 1.800 . 5.000 3.266 2.889 3.571 . 0 0 "[ . 1 . 2]" 1
111 1 10 PHE HZ 1 21 ILE MD 1.800 . 5.000 1.986 1.798 2.438 0.002 4 0 "[ . 1 . 2]" 1
112 1 10 PHE HZ 1 21 ILE HG13 1.800 . 5.000 3.254 2.982 3.675 . 0 0 "[ . 1 . 2]" 1
113 1 10 PHE HZ 1 21 ILE HG12 1.800 . 5.000 4.539 4.290 4.755 . 0 0 "[ . 1 . 2]" 1
114 1 11 SER HA 1 12 ALA H 1.800 . 2.900 2.122 2.098 2.155 . 0 0 "[ . 1 . 2]" 1
115 1 11 SER HA 1 130 VAL QG 1.800 . 5.000 4.111 3.680 4.687 . 0 0 "[ . 1 . 2]" 1
116 1 11 SER HA 1 20 ALA HA 1.800 . 3.000 2.113 1.898 2.325 . 0 0 "[ . 1 . 2]" 1
117 1 11 SER HA 1 20 ALA MB 1.800 . 5.000 3.081 2.394 3.657 . 0 0 "[ . 1 . 2]" 1
118 1 11 SER HA 1 21 ILE H 1.800 . 4.000 3.493 2.981 3.934 . 0 0 "[ . 1 . 2]" 1
119 1 11 SER HB3 1 130 VAL HB 1.800 . 5.000 4.533 3.285 5.013 0.013 8 0 "[ . 1 . 2]" 1
120 1 11 SER HB3 1 130 VAL QG 1.800 . 5.000 2.534 1.986 3.296 . 0 0 "[ . 1 . 2]" 1
121 1 11 SER HB3 1 20 ALA HA 1.800 . 5.000 4.036 3.332 4.563 . 0 0 "[ . 1 . 2]" 1
122 1 11 SER HB3 1 20 ALA MB 1.800 . 5.000 3.326 2.116 4.359 . 0 0 "[ . 1 . 2]" 1
123 1 11 SER HB2 1 130 VAL HB 1.800 . 5.000 4.718 3.758 5.026 0.026 12 0 "[ . 1 . 2]" 1
124 1 11 SER HB2 1 130 VAL QG 1.800 . 5.000 2.905 1.801 3.529 . 0 0 "[ . 1 . 2]" 1
125 1 11 SER HB2 1 20 ALA HA 1.800 . 5.000 3.177 2.571 4.520 . 0 0 "[ . 1 . 2]" 1
126 1 11 SER HB2 1 20 ALA MB 1.800 . 5.000 2.459 1.699 4.379 0.101 10 0 "[ . 1 . 2]" 1
127 1 11 SER H 1 128 LYS QG 1.800 . 5.000 4.197 3.080 5.005 0.005 3 0 "[ . 1 . 2]" 1
128 1 11 SER H 1 128 LYS H 1.800 . 4.000 3.916 3.282 4.011 0.011 16 0 "[ . 1 . 2]" 1
129 1 11 SER H 1 129 GLU HA 1.800 . 4.000 3.683 3.015 4.015 0.015 10 0 "[ . 1 . 2]" 1
130 1 11 SER H 1 12 ALA H 1.800 . 5.000 4.055 3.892 4.274 . 0 0 "[ . 1 . 2]" 1
131 1 11 SER H 1 130 VAL MG2 1.800 . 5.000 2.537 1.810 3.512 . 0 0 "[ . 1 . 2]" 1
132 1 12 ALA HA 1 127 PHE HA 1.800 . 5.000 4.706 4.177 5.006 0.006 8 0 "[ . 1 . 2]" 1
133 1 12 ALA HA 1 13 ASN H 1.800 . 2.900 2.152 2.125 2.252 . 0 0 "[ . 1 . 2]" 1
134 1 12 ALA MB 1 127 PHE HA 1.800 . 4.000 2.746 2.380 3.322 . 0 0 "[ . 1 . 2]" 1
135 1 12 ALA MB 1 128 LYS H 1.800 . 5.000 2.862 2.029 3.463 . 0 0 "[ . 1 . 2]" 1
136 1 12 ALA MB 1 125 ALA MB 1.800 . 5.000 4.988 4.774 5.016 0.016 4 0 "[ . 1 . 2]" 1
137 1 12 ALA MB 1 127 PHE QD 1.800 . 5.000 2.045 1.797 2.432 0.003 10 0 "[ . 1 . 2]" 1
138 1 12 ALA MB 1 127 PHE QE 1.800 . 5.000 2.874 2.499 3.360 . 0 0 "[ . 1 . 2]" 1
139 1 12 ALA MB 1 14 LEU MD1 1.800 . 5.000 3.859 1.976 5.000 . 0 0 "[ . 1 . 2]" 1
140 1 12 ALA MB 1 14 LEU MD2 1.800 . 5.000 2.601 2.019 3.279 . 0 0 "[ . 1 . 2]" 1
141 1 12 ALA MB 1 14 LEU HG 1.800 . 5.000 3.734 2.673 5.009 0.009 3 0 "[ . 1 . 2]" 1
142 1 12 ALA MB 1 19 ILE HB 1.800 . 5.000 3.308 2.397 3.871 . 0 0 "[ . 1 . 2]" 1
143 1 12 ALA MB 1 19 ILE MD 1.800 . 5.000 4.167 3.085 4.873 . 0 0 "[ . 1 . 2]" 1
144 1 12 ALA MB 1 19 ILE QG 1.800 . 5.000 4.539 3.668 4.987 . 0 0 "[ . 1 . 2]" 1
145 1 12 ALA MB 1 19 ILE MG 1.800 . 5.000 4.213 3.505 4.681 . 0 0 "[ . 1 . 2]" 1
146 1 12 ALA H 1 13 ASN H 1.800 . 5.000 4.237 3.906 4.428 . 0 0 "[ . 1 . 2]" 1
147 1 12 ALA H 1 14 LEU MD2 1.800 . 5.000 4.867 4.108 5.010 0.010 19 0 "[ . 1 . 2]" 1
148 1 12 ALA H 1 19 ILE HB 1.800 . 5.000 3.365 2.709 4.057 . 0 0 "[ . 1 . 2]" 1
149 1 12 ALA H 1 19 ILE MG 1.800 . 5.000 4.056 3.654 4.556 . 0 0 "[ . 1 . 2]" 1
150 1 12 ALA H 1 20 ALA HA 1.800 . 4.000 3.655 3.249 3.925 . 0 0 "[ . 1 . 2]" 1
151 1 12 ALA H 1 20 ALA MB 1.800 . 5.000 4.403 3.994 5.001 0.001 7 0 "[ . 1 . 2]" 1
152 1 13 ASN HA 1 14 LEU H 1.800 . 2.900 2.180 2.088 2.251 . 0 0 "[ . 1 . 2]" 1
153 1 13 ASN HA 1 18 GLU HA 1.800 . 3.000 2.105 1.795 2.393 0.005 19 0 "[ . 1 . 2]" 1
154 1 13 ASN HA 1 18 GLU QB 1.800 . 5.000 3.633 3.012 4.095 . 0 0 "[ . 1 . 2]" 1
155 1 13 ASN HA 1 18 GLU QG 1.800 . 5.000 3.394 2.447 3.774 . 0 0 "[ . 1 . 2]" 1
156 1 13 ASN HA 1 19 ILE H 1.800 . 4.000 3.242 2.939 3.611 . 0 0 "[ . 1 . 2]" 1
157 1 13 ASN HB3 1 18 GLU QG 1.800 . 5.000 4.110 2.211 5.002 0.002 20 0 "[ . 1 . 2]" 1
158 1 13 ASN HB2 1 18 GLU QG 1.800 . 5.000 3.866 2.574 4.998 . 0 0 "[ . 1 . 2]" 1
159 1 13 ASN QB 1 18 GLU HA 1.800 . 5.000 3.598 2.542 4.103 . 0 0 "[ . 1 . 2]" 1
160 1 13 ASN HD22 1 18 GLU QG 1.800 . 5.000 3.158 2.155 4.910 . 0 0 "[ . 1 . 2]" 1
161 1 13 ASN QD 1 18 GLU HG3 1.800 . 5.000 3.841 3.020 5.006 0.006 8 0 "[ . 1 . 2]" 1
162 1 13 ASN QD 1 18 GLU HG2 1.800 . 5.000 2.492 1.796 3.885 0.004 2 0 "[ . 1 . 2]" 1
163 1 14 LEU HA 1 15 ASN H 1.800 . 2.900 2.344 2.091 2.910 0.010 16 0 "[ . 1 . 2]" 1
164 1 14 LEU QB 1 19 ILE MD 1.800 . 5.000 4.325 2.974 5.008 0.008 4 0 "[ . 1 . 2]" 1
165 1 14 LEU MD1 1 19 ILE H 1.800 . 5.000 4.404 2.799 4.878 . 0 0 "[ . 1 . 2]" 1
166 1 14 LEU MD2 1 125 ALA MB 1.800 . 5.000 4.908 4.495 5.021 0.021 17 0 "[ . 1 . 2]" 1
167 1 14 LEU MD2 1 127 PHE QE 1.800 . 5.000 2.360 1.805 3.045 . 0 0 "[ . 1 . 2]" 1
168 1 14 LEU MD2 1 127 PHE HZ 1.800 . 5.000 3.661 2.912 4.737 . 0 0 "[ . 1 . 2]" 1
169 1 14 LEU MD2 1 19 ILE MD 1.800 . 5.000 2.817 1.902 3.810 . 0 0 "[ . 1 . 2]" 1
170 1 14 LEU MD2 1 19 ILE MG 1.800 . 5.000 4.438 3.644 5.007 0.007 9 0 "[ . 1 . 2]" 1
171 1 14 LEU MD2 1 19 ILE H 1.800 . 5.000 4.414 2.551 5.006 0.006 4 0 "[ . 1 . 2]" 1
172 1 14 LEU H 1 15 ASN H 1.800 . 5.000 4.066 2.784 4.548 . 0 0 "[ . 1 . 2]" 1
173 1 14 LEU H 1 17 THR HB 1.800 . 5.000 4.342 3.021 5.006 0.006 3 0 "[ . 1 . 2]" 1
174 1 14 LEU H 1 17 THR H 1.800 . 4.000 3.537 2.994 4.001 0.001 8 0 "[ . 1 . 2]" 1
175 1 14 LEU H 1 19 ILE MD 1.800 . 5.000 4.757 4.348 5.008 0.008 9 0 "[ . 1 . 2]" 1
176 1 15 ASN HA 1 16 GLY H 1.800 . 3.500 3.157 2.189 3.525 0.025 9 0 "[ . 1 . 2]" 1
177 1 15 ASN H 1 16 GLY H 1.800 . 3.500 3.033 2.568 3.509 0.009 2 0 "[ . 1 . 2]" 1
178 1 15 ASN H 1 17 THR H 1.800 . 5.000 4.271 3.615 4.935 . 0 0 "[ . 1 . 2]" 1
179 1 16 GLY H 1 17 THR H 1.800 . 3.500 2.230 1.796 2.816 0.004 6 0 "[ . 1 . 2]" 1
180 1 17 THR HA 1 18 GLU H 1.800 . 3.500 2.172 2.114 2.227 . 0 0 "[ . 1 . 2]" 1
181 1 17 THR HA 1 39 ILE HA 1.800 . 4.000 2.696 2.283 3.414 . 0 0 "[ . 1 . 2]" 1
182 1 17 THR HA 1 39 ILE MG 1.800 . 5.000 3.897 3.299 4.625 . 0 0 "[ . 1 . 2]" 1
183 1 17 THR HB 1 19 ILE MD 1.800 . 5.000 3.667 2.959 4.406 . 0 0 "[ . 1 . 2]" 1
184 1 17 THR HB 1 19 ILE QG 1.800 . 5.000 3.047 2.483 3.917 . 0 0 "[ . 1 . 2]" 1
185 1 17 THR HB 1 39 ILE QG 1.800 . 5.000 4.004 3.175 4.986 . 0 0 "[ . 1 . 2]" 1
186 1 17 THR MG 1 19 ILE QG 1.800 . 5.000 3.272 2.038 4.128 . 0 0 "[ . 1 . 2]" 1
187 1 17 THR MG 1 38 LYS H 1.800 . 5.000 4.316 3.117 5.006 0.006 15 0 "[ . 1 . 2]" 1
188 1 17 THR MG 1 39 ILE HA 1.800 . 5.000 2.543 1.799 3.558 0.001 5 0 "[ . 1 . 2]" 1
189 1 17 THR MG 1 39 ILE MD 1.800 . 5.000 3.174 2.861 3.547 . 0 0 "[ . 1 . 2]" 1
190 1 17 THR MG 1 39 ILE HG13 1.800 . 5.000 2.635 1.798 3.683 0.002 10 0 "[ . 1 . 2]" 1
191 1 17 THR MG 1 39 ILE HG12 1.800 . 5.000 2.332 1.798 3.459 0.002 14 0 "[ . 1 . 2]" 1
192 1 17 THR MG 1 39 ILE MG 1.800 . 5.000 2.765 2.136 3.611 . 0 0 "[ . 1 . 2]" 1
193 1 17 THR MG 1 40 GLN H 1.800 . 5.000 4.031 3.141 5.004 0.004 15 0 "[ . 1 . 2]" 1
194 1 17 THR H 1 18 GLU H 1.800 . 5.000 4.290 3.968 4.500 . 0 0 "[ . 1 . 2]" 1
195 1 18 GLU HA 1 19 ILE H 1.800 . 3.500 2.199 2.156 2.229 . 0 0 "[ . 1 . 2]" 1
196 1 18 GLU HB3 1 38 LYS QB 1.800 . 5.000 3.429 3.380 3.473 . 0 0 "[ . 1 . 2]" 1
197 1 18 GLU HB3 1 38 LYS H 1.800 . 5.000 4.564 4.150 4.865 . 0 0 "[ . 1 . 2]" 1
198 1 18 GLU HB2 1 38 LYS QB 1.800 . 5.000 1.803 1.788 1.864 0.012 3 0 "[ . 1 . 2]" 1
199 1 18 GLU HB2 1 38 LYS H 1.800 . 5.000 3.072 2.690 3.358 . 0 0 "[ . 1 . 2]" 1
200 1 18 GLU HG3 1 38 LYS QG 1.800 . 5.000 3.204 2.768 3.419 . 0 0 "[ . 1 . 2]" 1
201 1 18 GLU HG2 1 38 LYS QG 1.800 . 5.000 4.730 4.065 5.007 0.007 6 0 "[ . 1 . 2]" 1
202 1 18 GLU QG 1 38 LYS HA 1.800 . 5.000 5.011 5.003 5.015 0.015 13 0 "[ . 1 . 2]" 1
203 1 18 GLU H 1 19 ILE H 1.800 . 5.000 4.212 4.105 4.574 . 0 0 "[ . 1 . 2]" 1
204 1 18 GLU H 1 38 LYS QB 1.800 . 5.000 2.906 2.438 3.482 . 0 0 "[ . 1 . 2]" 1
205 1 18 GLU H 1 38 LYS H 1.800 . 4.000 3.348 2.802 3.788 . 0 0 "[ . 1 . 2]" 1
206 1 19 ILE HA 1 20 ALA H 1.800 . 3.500 2.139 2.095 2.215 . 0 0 "[ . 1 . 2]" 1
207 1 19 ILE HA 1 37 THR HA 1.800 . 3.000 2.271 2.150 2.551 . 0 0 "[ . 1 . 2]" 1
208 1 19 ILE HA 1 37 THR MG 1.800 . 5.000 3.085 2.354 3.562 . 0 0 "[ . 1 . 2]" 1
209 1 19 ILE MD 1 127 PHE QE 1.800 . 5.000 4.273 3.345 4.888 . 0 0 "[ . 1 . 2]" 1
210 1 19 ILE MD 1 21 ILE MD 1.800 . 5.000 4.022 3.774 4.472 . 0 0 "[ . 1 . 2]" 1
211 1 19 ILE MD 1 37 THR HA 1.800 . 5.000 4.551 4.156 5.007 0.007 9 0 "[ . 1 . 2]" 1
212 1 19 ILE MD 1 37 THR HB 1.800 . 5.000 4.958 4.608 5.015 0.015 4 0 "[ . 1 . 2]" 1
213 1 19 ILE QG 1 37 THR MG 1.800 . 5.000 1.844 1.792 2.044 0.008 7 0 "[ . 1 . 2]" 1
214 1 19 ILE MG 1 127 PHE QE 1.800 . 5.000 4.768 3.924 5.006 0.006 10 0 "[ . 1 . 2]" 1
215 1 19 ILE MG 1 21 ILE MD 1.800 . 5.000 2.581 2.354 3.038 . 0 0 "[ . 1 . 2]" 1
216 1 19 ILE MG 1 21 ILE HG13 1.800 . 5.000 2.059 1.796 2.421 0.004 18 0 "[ . 1 . 2]" 1
217 1 19 ILE MG 1 21 ILE HG12 1.800 . 5.000 3.112 2.854 3.587 . 0 0 "[ . 1 . 2]" 1
218 1 19 ILE MG 1 21 ILE MG 1.800 . 5.000 4.375 4.202 4.671 . 0 0 "[ . 1 . 2]" 1
219 1 19 ILE MG 1 35 SER QB 1.800 . 5.000 3.818 3.272 4.802 . 0 0 "[ . 1 . 2]" 1
220 1 19 ILE MG 1 36 GLU H 1.800 . 5.000 4.181 3.644 4.601 . 0 0 "[ . 1 . 2]" 1
221 1 19 ILE MG 1 37 THR HA 1.800 . 5.000 3.481 3.159 3.986 . 0 0 "[ . 1 . 2]" 1
222 1 19 ILE MG 1 37 THR HB 1.800 . 5.000 4.821 4.335 5.008 0.008 8 0 "[ . 1 . 2]" 1
223 1 19 ILE MG 1 37 THR MG 1.800 . 5.000 3.251 2.030 3.743 . 0 0 "[ . 1 . 2]" 1
224 1 20 ALA HA 1 21 ILE H 1.800 . 3.500 2.149 2.085 2.213 . 0 0 "[ . 1 . 2]" 1
225 1 20 ALA MB 1 36 GLU H 1.800 . 5.000 3.859 3.313 4.297 . 0 0 "[ . 1 . 2]" 1
226 1 20 ALA MB 1 36 GLU HB3 1.800 . 5.000 3.645 2.433 4.564 . 0 0 "[ . 1 . 2]" 1
227 1 20 ALA MB 1 36 GLU HB2 1.800 . 5.000 3.744 2.430 5.003 0.003 4 0 "[ . 1 . 2]" 1
228 1 20 ALA MB 1 36 GLU QG 1.800 . 5.000 4.187 3.012 4.881 . 0 0 "[ . 1 . 2]" 1
229 1 20 ALA H 1 21 ILE H 1.800 . 5.000 4.115 3.899 4.286 . 0 0 "[ . 1 . 2]" 1
230 1 20 ALA H 1 36 GLU QB 1.800 . 5.000 3.615 3.244 4.261 . 0 0 "[ . 1 . 2]" 1
231 1 20 ALA H 1 36 GLU H 1.800 . 4.000 3.643 3.196 3.999 . 0 0 "[ . 1 . 2]" 1
232 1 20 ALA H 1 37 THR HA 1.800 . 4.000 3.255 2.828 3.608 . 0 0 "[ . 1 . 2]" 1
233 1 21 ILE HA 1 22 THR H 1.800 . 3.500 2.103 2.073 2.127 . 0 0 "[ . 1 . 2]" 1
234 1 21 ILE HA 1 35 SER HA 1.800 . 3.000 2.144 1.932 2.444 . 0 0 "[ . 1 . 2]" 1
235 1 21 ILE HA 1 36 GLU H 1.800 . 4.000 2.802 2.500 3.149 . 0 0 "[ . 1 . 2]" 1
236 1 21 ILE MD 1 122 MET ME 1.800 . 5.000 3.115 2.161 4.116 . 0 0 "[ . 1 . 2]" 1
237 1 21 ILE MD 1 127 PHE QE 1.800 . 5.000 4.751 3.864 5.007 0.007 13 0 "[ . 1 . 2]" 1
238 1 21 ILE MD 1 23 TYR QE 1.800 . 5.000 4.581 3.302 5.007 0.007 4 0 "[ . 1 . 2]" 1
239 1 21 ILE MD 1 33 GLN QE 1.800 . 5.000 2.656 1.875 4.500 . 0 0 "[ . 1 . 2]" 1
240 1 21 ILE MD 1 33 GLN QG 1.800 . 5.000 3.329 2.858 3.872 . 0 0 "[ . 1 . 2]" 1
241 1 21 ILE MD 1 35 SER HA 1.800 . 5.000 3.554 3.299 3.887 . 0 0 "[ . 1 . 2]" 1
242 1 21 ILE MD 1 35 SER QB 1.800 . 5.000 2.780 2.392 3.359 . 0 0 "[ . 1 . 2]" 1
243 1 21 ILE MD 1 36 GLU H 1.800 . 5.000 4.881 4.717 5.007 0.007 18 0 "[ . 1 . 2]" 1
244 1 21 ILE HG13 1 35 SER HA 1.800 . 5.000 3.432 3.280 3.868 . 0 0 "[ . 1 . 2]" 1
245 1 21 ILE HG13 1 35 SER QB 1.800 . 5.000 3.795 3.224 4.559 . 0 0 "[ . 1 . 2]" 1
246 1 21 ILE HG13 1 36 GLU H 1.800 . 5.000 4.182 3.937 4.398 . 0 0 "[ . 1 . 2]" 1
247 1 21 ILE HG12 1 35 SER HA 1.800 . 5.000 1.954 1.796 2.404 0.004 14 0 "[ . 1 . 2]" 1
248 1 21 ILE HG12 1 35 SER QB 1.800 . 5.000 2.365 1.841 3.012 . 0 0 "[ . 1 . 2]" 1
249 1 21 ILE HG12 1 36 GLU H 1.800 . 5.000 3.434 3.205 3.646 . 0 0 "[ . 1 . 2]" 1
250 1 21 ILE MG 1 122 MET ME 1.800 . 5.000 4.049 2.779 5.006 0.006 5 0 "[ . 1 . 2]" 1
251 1 21 ILE MG 1 23 TYR QD 1.800 . 5.000 2.337 1.796 3.705 0.004 20 0 "[ . 1 . 2]" 1
252 1 21 ILE MG 1 23 TYR QE 1.800 . 5.000 3.406 2.541 3.982 . 0 0 "[ . 1 . 2]" 1
253 1 21 ILE MG 1 33 GLN HA 1.800 . 5.000 3.627 3.247 3.934 . 0 0 "[ . 1 . 2]" 1
254 1 21 ILE MG 1 33 GLN QB 1.800 . 5.000 3.771 3.533 3.977 . 0 0 "[ . 1 . 2]" 1
255 1 21 ILE MG 1 33 GLN HE21 1.800 . 5.000 2.815 1.797 4.655 0.003 10 0 "[ . 1 . 2]" 1
256 1 21 ILE MG 1 33 GLN HE22 1.800 . 5.000 3.702 3.085 4.875 . 0 0 "[ . 1 . 2]" 1
257 1 21 ILE MG 1 33 GLN QG 1.800 . 5.000 2.033 1.794 2.233 0.006 18 0 "[ . 1 . 2]" 1
258 1 21 ILE MG 1 34 SER H 1.800 . 5.000 3.525 2.652 3.966 . 0 0 "[ . 1 . 2]" 1
259 1 21 ILE MG 1 35 SER HA 1.800 . 5.000 2.666 2.283 3.047 . 0 0 "[ . 1 . 2]" 1
260 1 21 ILE MG 1 35 SER QB 1.800 . 5.000 3.155 2.185 3.881 . 0 0 "[ . 1 . 2]" 1
261 1 21 ILE H 1 22 THR H 1.800 . 5.000 4.289 4.085 4.416 . 0 0 "[ . 1 . 2]" 1
262 1 22 THR HA 1 23 TYR H 1.800 . 3.500 2.226 2.141 2.311 . 0 0 "[ . 1 . 2]" 1
263 1 22 THR HB 1 34 SER QB 1.800 . 5.000 2.291 1.801 3.778 . 0 0 "[ . 1 . 2]" 1
264 1 22 THR HB 1 34 SER H 1.800 . 5.000 3.686 2.900 4.234 . 0 0 "[ . 1 . 2]" 1
265 1 22 THR MG 1 132 LEU QD 1.800 . 5.000 2.444 1.809 3.328 . 0 0 "[ . 1 . 2]" 1
266 1 22 THR MG 1 34 SER QB 1.800 . 5.000 3.756 3.354 4.874 . 0 0 "[ . 1 . 2]" 1
267 1 22 THR H 1 23 TYR H 1.800 . 5.000 4.101 3.964 4.265 . 0 0 "[ . 1 . 2]" 1
268 1 22 THR H 1 34 SER HB3 1.800 . 5.000 3.940 2.672 5.009 0.009 8 0 "[ . 1 . 2]" 1
269 1 22 THR H 1 34 SER HB2 1.800 . 5.000 3.356 2.485 4.622 . 0 0 "[ . 1 . 2]" 1
270 1 22 THR H 1 34 SER H 1.800 . 4.000 3.568 3.142 3.988 . 0 0 "[ . 1 . 2]" 1
271 1 22 THR H 1 35 SER HA 1.800 . 4.000 3.516 3.173 3.771 . 0 0 "[ . 1 . 2]" 1
272 1 23 TYR HA 1 24 VAL H 1.800 . 3.500 2.117 2.030 2.227 . 0 0 "[ . 1 . 2]" 1
273 1 23 TYR HA 1 33 GLN HA 1.800 . 4.000 2.255 1.796 2.734 0.004 4 0 "[ . 1 . 2]" 1
274 1 23 TYR HA 1 33 GLN QB 1.800 . 5.000 3.960 3.401 4.494 . 0 0 "[ . 1 . 2]" 1
275 1 23 TYR HA 1 34 SER H 1.800 . 4.000 2.943 2.361 3.850 . 0 0 "[ . 1 . 2]" 1
276 1 23 TYR HB3 1 30 VAL QG 1.800 . 5.000 2.837 1.911 3.436 . 0 0 "[ . 1 . 2]" 1
277 1 23 TYR HB2 1 30 VAL QG 1.800 . 5.000 2.445 1.796 3.654 0.004 6 0 "[ . 1 . 2]" 1
278 1 23 TYR QD 1 115 MET ME 1.800 . 5.000 3.644 2.819 4.246 . 0 0 "[ . 1 . 2]" 1
279 1 23 TYR QD 1 118 MET QB 1.800 . 5.000 4.122 3.694 4.693 . 0 0 "[ . 1 . 2]" 1
280 1 23 TYR QD 1 118 MET ME 1.800 . 5.000 4.374 3.418 5.004 0.004 20 0 "[ . 1 . 2]" 1
281 1 23 TYR QD 1 118 MET QG 1.800 . 5.000 3.458 3.035 4.150 . 0 0 "[ . 1 . 2]" 1
282 1 23 TYR QD 1 30 VAL QG 1.800 . 5.000 2.253 1.796 3.032 0.004 12 0 "[ . 1 . 2]" 1
283 1 23 TYR QD 1 30 VAL MG2 1.800 . 5.000 3.035 2.505 3.612 . 0 0 "[ . 1 . 2]" 1
284 1 23 TYR QD 1 33 GLN HA 1.800 . 5.000 4.253 3.086 4.772 . 0 0 "[ . 1 . 2]" 1
285 1 23 TYR QD 1 88 MET ME 1.800 . 5.000 4.887 4.423 5.013 0.013 13 0 "[ . 1 . 2]" 1
286 1 23 TYR QE 1 118 MET ME 1.800 . 5.000 4.121 1.804 5.009 0.009 11 0 "[ . 1 . 2]" 1
287 1 23 TYR QE 1 122 MET ME 1.800 . 5.000 4.126 3.480 5.001 0.001 18 0 "[ . 1 . 2]" 1
288 1 23 TYR QE 1 122 MET QG 1.800 . 5.000 3.265 2.686 3.733 . 0 0 "[ . 1 . 2]" 1
289 1 23 TYR QE 1 30 VAL QG 1.800 . 5.000 3.520 2.974 4.263 . 0 0 "[ . 1 . 2]" 1
290 1 24 VAL HB 1 32 LYS QB 1.800 . 5.000 2.261 1.786 4.484 0.014 10 0 "[ . 1 . 2]" 1
291 1 24 VAL MG1 1 32 LYS QE 1.800 . 5.000 4.547 3.502 5.017 0.017 9 0 "[ . 1 . 2]" 1
292 1 24 VAL MG1 1 32 LYS H 1.800 . 5.000 3.886 3.248 4.517 . 0 0 "[ . 1 . 2]" 1
293 1 24 VAL MG2 1 32 LYS H 1.800 . 5.000 4.706 4.422 5.002 0.002 12 0 "[ . 1 . 2]" 1
294 1 24 VAL QG 1 32 LYS QB 1.800 . 5.000 2.942 2.548 4.525 . 0 0 "[ . 1 . 2]" 1
295 1 24 VAL QG 1 32 LYS QD 1.800 . 5.000 3.350 2.619 4.510 . 0 0 "[ . 1 . 2]" 1
296 1 24 VAL QG 1 32 LYS QE 1.800 . 5.000 4.000 2.470 4.688 . 0 0 "[ . 1 . 2]" 1
297 1 24 VAL QG 1 32 LYS QG 1.800 . 5.000 3.853 3.033 4.661 . 0 0 "[ . 1 . 2]" 1
298 1 24 VAL H 1 32 LYS QB 1.800 . 5.000 3.310 2.696 4.663 . 0 0 "[ . 1 . 2]" 1
299 1 24 VAL H 1 32 LYS H 1.800 . 4.000 3.423 3.131 3.850 . 0 0 "[ . 1 . 2]" 1
300 1 24 VAL H 1 33 GLN HA 1.800 . 4.000 3.276 2.794 3.742 . 0 0 "[ . 1 . 2]" 1
301 1 25 TYR HA 1 26 LYS H 1.800 . 3.500 2.281 2.113 2.440 . 0 0 "[ . 1 . 2]" 1
302 1 25 TYR HA 1 30 VAL HA 1.800 . 4.000 1.998 1.789 2.360 0.011 11 0 "[ . 1 . 2]" 1
303 1 25 TYR HA 1 30 VAL MG1 1.800 . 5.000 3.222 2.896 3.404 . 0 0 "[ . 1 . 2]" 1
304 1 25 TYR HA 1 30 VAL MG2 1.800 . 5.000 3.792 3.548 4.091 . 0 0 "[ . 1 . 2]" 1
305 1 25 TYR HA 1 31 LEU MD1 1.800 . 5.000 3.979 2.110 4.765 . 0 0 "[ . 1 . 2]" 1
306 1 25 TYR HA 1 31 LEU MD2 1.800 . 5.000 4.777 4.300 5.004 0.004 17 0 "[ . 1 . 2]" 1
307 1 25 TYR HA 1 31 LEU HG 1.800 . 5.000 3.569 2.850 5.006 0.006 14 0 "[ . 1 . 2]" 1
308 1 25 TYR HA 1 31 LEU H 1.800 . 4.000 2.218 1.895 2.422 . 0 0 "[ . 1 . 2]" 1
309 1 25 TYR HA 1 32 LYS H 1.800 . 4.000 3.869 3.385 4.007 0.007 20 0 "[ . 1 . 2]" 1
310 1 25 TYR HB3 1 115 MET QB 1.800 . 5.000 4.113 3.244 4.942 . 0 0 "[ . 1 . 2]" 1
311 1 25 TYR HB3 1 30 VAL MG1 1.800 . 5.000 2.502 2.231 2.718 . 0 0 "[ . 1 . 2]" 1
312 1 25 TYR HB3 1 30 VAL MG2 1.800 . 5.000 2.114 1.808 2.411 . 0 0 "[ . 1 . 2]" 1
313 1 25 TYR HB3 1 31 LEU H 1.800 . 5.000 3.887 3.393 4.242 . 0 0 "[ . 1 . 2]" 1
314 1 25 TYR HB2 1 115 MET QB 1.800 . 5.000 3.458 2.890 4.343 . 0 0 "[ . 1 . 2]" 1
315 1 25 TYR HB2 1 30 VAL MG1 1.800 . 5.000 3.823 3.411 4.047 . 0 0 "[ . 1 . 2]" 1
316 1 25 TYR HB2 1 30 VAL MG2 1.800 . 5.000 2.887 2.563 3.116 . 0 0 "[ . 1 . 2]" 1
317 1 25 TYR HB2 1 31 LEU H 1.800 . 5.000 4.234 3.594 4.602 . 0 0 "[ . 1 . 2]" 1
318 1 25 TYR QB 1 28 ASP HA 1.800 . 5.000 4.568 4.076 5.002 0.002 10 0 "[ . 1 . 2]" 1
319 1 25 TYR QD 1 115 MET ME 1.800 . 5.000 3.284 2.981 3.874 . 0 0 "[ . 1 . 2]" 1
320 1 25 TYR QD 1 28 ASP HA 1.800 . 5.000 4.112 3.464 4.593 . 0 0 "[ . 1 . 2]" 1
321 1 25 TYR QD 1 30 VAL QG 1.800 . 5.000 3.238 2.919 3.588 . 0 0 "[ . 1 . 2]" 1
322 1 25 TYR QE 1 115 MET ME 1.800 . 5.000 2.862 2.353 4.277 . 0 0 "[ . 1 . 2]" 1
323 1 26 LYS HA 1 27 GLY H 1.800 . 3.500 2.179 2.143 2.234 . 0 0 "[ . 1 . 2]" 1
324 1 26 LYS HB3 1 31 LEU MD1 1.800 . 5.000 2.518 1.807 3.663 . 0 0 "[ . 1 . 2]" 1
325 1 26 LYS HB3 1 31 LEU MD2 1.800 . 5.000 4.177 3.423 5.007 0.007 10 0 "[ . 1 . 2]" 1
326 1 26 LYS HB2 1 31 LEU MD1 1.800 . 5.000 2.348 1.966 2.744 . 0 0 "[ . 1 . 2]" 1
327 1 26 LYS HB2 1 31 LEU MD2 1.800 . 5.000 4.485 2.937 4.999 . 0 0 "[ . 1 . 2]" 1
328 1 26 LYS H 1 29 LYS QB 1.800 . 5.000 3.612 3.112 4.213 . 0 0 "[ . 1 . 2]" 1
329 1 26 LYS H 1 29 LYS H 1.800 . 4.000 3.638 3.148 4.002 0.002 3 0 "[ . 1 . 2]" 1
330 1 26 LYS H 1 30 VAL HA 1.800 . 4.000 3.306 2.954 3.478 . 0 0 "[ . 1 . 2]" 1
331 1 26 LYS H 1 30 VAL MG1 1.800 . 5.000 4.932 4.597 5.010 0.010 2 0 "[ . 1 . 2]" 1
332 1 26 LYS H 1 30 VAL MG2 1.800 . 5.000 4.714 4.320 4.995 . 0 0 "[ . 1 . 2]" 1
333 1 26 LYS H 1 31 LEU MD1 1.800 . 5.000 3.368 2.069 3.868 . 0 0 "[ . 1 . 2]" 1
334 1 26 LYS H 1 31 LEU MD2 1.800 . 5.000 4.347 3.875 4.746 . 0 0 "[ . 1 . 2]" 1
335 1 26 LYS H 1 31 LEU HG 1.800 . 5.000 3.139 2.546 4.683 . 0 0 "[ . 1 . 2]" 1
336 1 26 LYS H 1 31 LEU H 1.800 . 4.000 3.697 3.020 4.005 0.005 1 0 "[ . 1 . 2]" 1
337 1 27 GLY HA3 1 28 ASP H 1.800 . 3.500 2.157 2.132 2.236 . 0 0 "[ . 1 . 2]" 1
338 1 27 GLY HA3 1 29 LYS H 1.800 . 5.000 3.451 3.077 4.213 . 0 0 "[ . 1 . 2]" 1
339 1 27 GLY HA2 1 28 ASP H 1.800 . 3.500 3.275 3.041 3.319 . 0 0 "[ . 1 . 2]" 1
340 1 27 GLY HA2 1 29 LYS H 1.800 . 5.000 4.583 4.148 4.943 . 0 0 "[ . 1 . 2]" 1
341 1 27 GLY H 1 28 ASP H 1.800 . 5.000 4.451 4.410 4.620 . 0 0 "[ . 1 . 2]" 1
342 1 28 ASP H 1 29 LYS H 1.800 . 3.500 2.259 1.955 3.497 . 0 0 "[ . 1 . 2]" 1
343 1 29 LYS HA 1 114 THR HA 1.800 . 4.000 3.156 2.313 3.874 . 0 0 "[ . 1 . 2]" 1
344 1 29 LYS HA 1 114 THR MG 1.800 . 5.000 3.366 2.641 4.423 . 0 0 "[ . 1 . 2]" 1
345 1 29 LYS HA 1 30 VAL H 1.800 . 3.500 2.177 2.136 2.231 . 0 0 "[ . 1 . 2]" 1
346 1 29 LYS HB3 1 31 LEU MD1 1.800 . 5.000 3.524 2.108 3.919 . 0 0 "[ . 1 . 2]" 1
347 1 29 LYS HB3 1 31 LEU MD2 1.800 . 5.000 2.787 1.795 3.779 0.005 3 0 "[ . 1 . 2]" 1
348 1 29 LYS HB2 1 31 LEU MD1 1.800 . 5.000 4.815 3.416 5.019 0.019 3 0 "[ . 1 . 2]" 1
349 1 29 LYS HB2 1 31 LEU MD2 1.800 . 5.000 3.985 3.022 5.011 0.011 14 0 "[ . 1 . 2]" 1
350 1 29 LYS QD 1 31 LEU QB 1.800 . 5.000 4.538 3.929 5.013 0.013 7 0 "[ . 1 . 2]" 1
351 1 29 LYS QE 1 31 LEU MD1 1.800 . 5.000 4.528 2.747 5.008 0.008 10 0 "[ . 1 . 2]" 1
352 1 29 LYS QE 1 31 LEU MD2 1.800 . 5.000 3.048 2.163 4.636 . 0 0 "[ . 1 . 2]" 1
353 1 29 LYS QG 1 114 THR MG 1.800 . 5.000 3.568 2.511 4.623 . 0 0 "[ . 1 . 2]" 1
354 1 29 LYS QG 1 31 LEU MD2 1.800 . 5.000 2.848 2.017 4.638 . 0 0 "[ . 1 . 2]" 1
355 1 29 LYS H 1 30 VAL H 1.800 . 5.000 4.321 3.914 4.565 . 0 0 "[ . 1 . 2]" 1
356 1 30 VAL HA 1 32 LYS H 1.800 . 5.000 3.917 3.459 4.612 . 0 0 "[ . 1 . 2]" 1
357 1 30 VAL HB 1 113 ILE MG 1.800 . 5.000 3.035 2.519 3.668 . 0 0 "[ . 1 . 2]" 1
358 1 30 VAL HB 1 88 MET ME 1.800 . 5.000 3.342 2.074 4.261 . 0 0 "[ . 1 . 2]" 1
359 1 30 VAL MG1 1 113 ILE MG 1.800 . 5.000 3.603 3.056 4.280 . 0 0 "[ . 1 . 2]" 1
360 1 30 VAL MG1 1 115 MET ME 1.800 . 5.000 4.764 4.146 5.008 0.008 4 0 "[ . 1 . 2]" 1
361 1 30 VAL MG1 1 118 MET QG 1.800 . 5.000 3.555 2.978 5.002 0.002 8 0 "[ . 1 . 2]" 1
362 1 23 TYR HA 1 30 VAL MG1 1.800 . 5.000 3.481 2.392 3.966 . 0 0 "[ . 1 . 2]" 1
363 1 30 VAL MG1 1 32 LYS HA 1.800 . 5.000 4.251 4.026 4.628 . 0 0 "[ . 1 . 2]" 1
364 1 30 VAL MG2 1 113 ILE MG 1.800 . 5.000 2.884 2.407 3.436 . 0 0 "[ . 1 . 2]" 1
365 1 30 VAL MG2 1 114 THR HA 1.800 . 5.000 3.105 2.321 3.811 . 0 0 "[ . 1 . 2]" 1
366 1 30 VAL MG2 1 115 MET ME 1.800 . 5.000 3.683 2.611 4.194 . 0 0 "[ . 1 . 2]" 1
367 1 30 VAL MG2 1 118 MET QG 1.800 . 5.000 2.696 1.797 4.135 0.003 20 0 "[ . 1 . 2]" 1
368 1 30 VAL MG2 1 88 MET ME 1.800 . 5.000 3.987 3.150 5.002 0.002 12 0 "[ . 1 . 2]" 1
369 1 30 VAL QG 1 115 MET QG 1.800 . 5.000 3.626 2.308 4.638 . 0 0 "[ . 1 . 2]" 1
370 1 30 VAL QG 1 118 MET QB 1.800 . 5.000 2.992 2.188 3.762 . 0 0 "[ . 1 . 2]" 1
371 1 30 VAL QG 1 88 MET ME 1.800 . 5.000 2.930 2.273 3.896 . 0 0 "[ . 1 . 2]" 1
372 1 30 VAL QG 1 88 MET HG3 1.800 . 5.000 3.461 2.171 4.123 . 0 0 "[ . 1 . 2]" 1
373 1 30 VAL QG 1 88 MET HG2 1.800 . 5.000 4.199 3.524 4.739 . 0 0 "[ . 1 . 2]" 1
374 1 30 VAL H 1 113 ILE MG 1.800 . 5.000 4.182 3.510 4.758 . 0 0 "[ . 1 . 2]" 1
375 1 31 LEU MD2 1 89 GLU HB3 1.800 . 5.000 4.127 2.232 5.002 0.002 2 0 "[ . 1 . 2]" 1
376 1 31 LEU MD2 1 89 GLU HB2 1.800 . 5.000 4.565 3.606 5.008 0.008 13 0 "[ . 1 . 2]" 1
377 1 31 LEU MD2 1 89 GLU HG3 1.800 . 5.000 3.219 2.459 4.193 . 0 0 "[ . 1 . 2]" 1
378 1 31 LEU MD2 1 89 GLU HG2 1.800 . 5.000 2.526 1.798 3.990 0.002 8 0 "[ . 1 . 2]" 1
379 1 31 LEU H 1 32 LYS H 1.800 . 5.000 2.187 1.988 2.593 . 0 0 "[ . 1 . 2]" 1
380 1 32 LYS HA 1 33 GLN H 1.800 . 3.500 2.165 2.089 2.441 . 0 0 "[ . 1 . 2]" 1
381 1 32 LYS HA 1 87 ASP HA 1.800 . 4.000 2.591 2.262 2.913 . 0 0 "[ . 1 . 2]" 1
382 1 32 LYS HA 1 88 MET ME 1.800 . 5.000 4.852 3.896 5.013 0.013 14 0 "[ . 1 . 2]" 1
383 1 32 LYS HA 1 88 MET HG3 1.800 . 5.000 3.610 2.466 5.002 0.002 15 0 "[ . 1 . 2]" 1
384 1 32 LYS HA 1 88 MET HG2 1.800 . 5.000 4.126 2.150 5.004 0.004 20 0 "[ . 1 . 2]" 1
385 1 32 LYS HA 1 88 MET H 1.800 . 4.000 2.638 1.964 3.138 . 0 0 "[ . 1 . 2]" 1
386 1 32 LYS QD 1 85 THR MG 1.800 . 5.000 3.519 2.277 5.001 0.001 1 0 "[ . 1 . 2]" 1
387 1 32 LYS QE 1 85 THR MG 1.800 . 5.000 4.024 2.101 5.006 0.006 16 0 "[ . 1 . 2]" 1
388 1 32 LYS QG 1 85 THR MG 1.800 . 5.000 3.632 2.322 5.002 0.002 10 0 "[ . 1 . 2]" 1
389 1 32 LYS QG 1 87 ASP HA 1.800 . 5.000 2.792 1.912 4.200 . 0 0 "[ . 1 . 2]" 1
390 1 32 LYS QG 1 87 ASP QB 1.800 . 5.000 3.771 3.117 5.004 0.004 4 0 "[ . 1 . 2]" 1
391 1 32 LYS QG 1 88 MET H 1.800 . 5.000 3.683 2.746 4.578 . 0 0 "[ . 1 . 2]" 1
392 1 32 LYS QG 1 89 GLU QG 1.800 . 5.000 4.382 2.936 5.017 0.017 13 0 "[ . 1 . 2]" 1
393 1 33 GLN HA 1 34 SER H 1.800 . 3.500 2.197 2.141 2.278 . 0 0 "[ . 1 . 2]" 1
394 1 33 GLN HB3 1 86 ILE MD 1.800 . 5.000 3.155 2.718 3.744 . 0 0 "[ . 1 . 2]" 1
395 1 33 GLN HB3 1 88 MET ME 1.800 . 5.000 2.893 2.201 4.459 . 0 0 "[ . 1 . 2]" 1
396 1 33 GLN HB2 1 86 ILE MD 1.800 . 5.000 4.443 4.031 4.864 . 0 0 "[ . 1 . 2]" 1
397 1 33 GLN HB2 1 88 MET ME 1.800 . 5.000 2.401 1.789 3.546 0.011 1 0 "[ . 1 . 2]" 1
398 1 33 GLN HE21 1 118 MET ME 1.800 . 5.000 4.243 2.421 5.007 0.007 9 0 "[ . 1 . 2]" 1
399 1 33 GLN HE21 1 86 ILE MD 1.800 . 5.000 3.524 1.799 5.004 0.004 18 0 "[ . 1 . 2]" 1
400 1 33 GLN HE21 1 88 MET ME 1.800 . 5.000 4.046 2.609 5.010 0.010 14 0 "[ . 1 . 2]" 1
401 1 33 GLN HE22 1 118 MET ME 1.800 . 5.000 3.468 2.275 4.657 . 0 0 "[ . 1 . 2]" 1
402 1 33 GLN HE22 1 86 ILE MD 1.800 . 5.000 3.566 2.500 4.719 . 0 0 "[ . 1 . 2]" 1
403 1 33 GLN HE22 1 88 MET ME 1.800 . 5.000 3.735 2.583 4.696 . 0 0 "[ . 1 . 2]" 1
404 1 33 GLN H 1 34 SER H 1.800 . 5.000 4.100 3.958 4.398 . 0 0 "[ . 1 . 2]" 1
405 1 33 GLN H 1 85 THR MG 1.800 . 5.000 4.201 3.566 4.690 . 0 0 "[ . 1 . 2]" 1
406 1 33 GLN H 1 86 ILE HB 1.800 . 5.000 3.230 2.814 3.927 . 0 0 "[ . 1 . 2]" 1
407 1 33 GLN H 1 86 ILE MG 1.800 . 5.000 3.939 3.543 4.271 . 0 0 "[ . 1 . 2]" 1
408 1 33 GLN H 1 86 ILE H 1.800 . 4.000 3.369 2.873 3.933 . 0 0 "[ . 1 . 2]" 1
409 1 33 GLN H 1 87 ASP HA 1.800 . 4.000 3.558 3.025 3.911 . 0 0 "[ . 1 . 2]" 1
410 1 33 GLN H 1 88 MET ME 1.800 . 5.000 4.076 3.514 5.010 0.010 7 0 "[ . 1 . 2]" 1
411 1 33 GLN H 1 88 MET HG3 1.800 . 5.000 3.603 2.303 5.000 0.000 4 0 "[ . 1 . 2]" 1
412 1 33 GLN H 1 88 MET HG2 1.800 . 5.000 3.980 2.673 5.006 0.006 17 0 "[ . 1 . 2]" 1
413 1 34 SER HA 1 35 SER H 1.800 . 3.500 2.175 2.097 2.219 . 0 0 "[ . 1 . 2]" 1
414 1 34 SER HA 1 85 THR HA 1.800 . 3.000 2.181 1.795 2.460 0.005 6 0 "[ . 1 . 2]" 1
415 1 34 SER HA 1 85 THR MG 1.800 . 5.000 3.270 2.775 3.509 . 0 0 "[ . 1 . 2]" 1
416 1 34 SER HA 1 86 ILE H 1.800 . 4.000 3.082 2.479 3.516 . 0 0 "[ . 1 . 2]" 1
417 1 34 SER HB3 1 85 THR MG 1.800 . 5.000 3.934 2.554 4.948 . 0 0 "[ . 1 . 2]" 1
418 1 34 SER HB2 1 85 THR MG 1.800 . 5.000 4.301 2.986 5.002 0.002 10 0 "[ . 1 . 2]" 1
419 1 34 SER QB 1 85 THR HA 1.800 . 5.000 3.691 3.066 4.316 . 0 0 "[ . 1 . 2]" 1
420 1 34 SER H 1 35 SER H 1.800 . 5.000 4.141 3.831 4.277 . 0 0 "[ . 1 . 2]" 1
421 1 34 SER H 1 85 THR MG 1.800 . 5.000 4.574 3.617 5.014 0.014 10 0 "[ . 1 . 2]" 1
422 1 35 SER HA 1 36 GLU H 1.800 . 3.500 2.182 2.128 2.235 . 0 0 "[ . 1 . 2]" 1
423 1 35 SER QB 1 84 VAL HB 1.800 . 5.000 2.456 1.848 3.460 . 0 0 "[ . 1 . 2]" 1
424 1 35 SER QB 1 84 VAL QG 1.800 . 5.000 3.108 2.596 3.709 . 0 0 "[ . 1 . 2]" 1
425 1 35 SER H 1 36 GLU H 1.800 . 5.000 4.158 4.028 4.349 . 0 0 "[ . 1 . 2]" 1
426 1 35 SER H 1 84 VAL HB 1.800 . 5.000 3.208 2.682 3.615 . 0 0 "[ . 1 . 2]" 1
427 1 35 SER H 1 84 VAL QG 1.800 . 5.000 3.611 3.173 3.883 . 0 0 "[ . 1 . 2]" 1
428 1 35 SER H 1 84 VAL H 1.800 . 4.000 3.755 3.387 4.010 0.010 20 0 "[ . 1 . 2]" 1
429 1 35 SER H 1 85 THR HA 1.800 . 4.000 3.249 2.965 3.465 . 0 0 "[ . 1 . 2]" 1
430 1 35 SER H 1 85 THR MG 1.800 . 5.000 4.870 4.539 5.012 0.012 12 0 "[ . 1 . 2]" 1
431 1 36 GLU HA 1 37 THR H 1.800 . 2.900 2.138 2.098 2.188 . 0 0 "[ . 1 . 2]" 1
432 1 36 GLU HA 1 83 ASN HA 1.800 . 4.000 2.206 1.946 2.646 . 0 0 "[ . 1 . 2]" 1
433 1 36 GLU HA 1 84 VAL H 1.800 . 4.000 2.513 2.283 2.992 . 0 0 "[ . 1 . 2]" 1
434 1 36 GLU HB3 1 83 ASN QD 1.800 . 5.000 3.820 2.387 4.872 . 0 0 "[ . 1 . 2]" 1
435 1 36 GLU HB3 1 84 VAL H 1.800 . 5.000 4.741 4.124 5.026 0.026 17 0 "[ . 1 . 2]" 1
436 1 36 GLU HB2 1 83 ASN QD 1.800 . 5.000 3.570 1.860 5.010 0.010 6 0 "[ . 1 . 2]" 1
437 1 36 GLU HB2 1 84 VAL H 1.800 . 5.000 4.408 3.628 5.034 0.034 1 0 "[ . 1 . 2]" 1
438 1 36 GLU QB 1 83 ASN HA 1.800 . 5.000 2.837 2.237 3.330 . 0 0 "[ . 1 . 2]" 1
439 1 36 GLU QG 1 81 GLN HE21 1.800 . 5.000 3.716 2.127 5.006 0.006 15 0 "[ . 1 . 2]" 1
440 1 36 GLU QG 1 81 GLN HE22 1.800 . 5.000 4.345 2.842 5.002 0.002 2 0 "[ . 1 . 2]" 1
441 1 36 GLU QG 1 83 ASN HB3 1.800 . 5.000 4.000 2.387 5.004 0.004 10 0 "[ . 1 . 2]" 1
442 1 36 GLU QG 1 83 ASN HB2 1.800 . 5.000 3.238 2.506 4.429 . 0 0 "[ . 1 . 2]" 1
443 1 36 GLU QG 1 83 ASN HD21 1.800 . 5.000 2.935 1.797 4.984 0.003 2 0 "[ . 1 . 2]" 1
444 1 36 GLU QG 1 83 ASN HD22 1.800 . 5.000 3.753 2.482 5.003 0.003 11 0 "[ . 1 . 2]" 1
445 1 36 GLU H 1 37 THR H 1.800 . 5.000 4.228 4.104 4.477 . 0 0 "[ . 1 . 2]" 1
446 1 37 THR HA 1 38 LYS H 1.800 . 3.500 2.157 2.129 2.203 . 0 0 "[ . 1 . 2]" 1
447 1 37 THR HB 1 39 ILE MD 1.800 . 5.000 3.102 2.354 3.780 . 0 0 "[ . 1 . 2]" 1
448 1 37 THR HB 1 82 GLU HB3 1.800 . 5.000 2.946 1.790 4.177 0.010 19 0 "[ . 1 . 2]" 1
449 1 37 THR HB 1 82 GLU HB2 1.800 . 5.000 3.727 1.994 5.008 0.008 14 0 "[ . 1 . 2]" 1
450 1 37 THR HB 1 82 GLU H 1.800 . 5.000 3.749 2.800 4.665 . 0 0 "[ . 1 . 2]" 1
451 1 37 THR MG 1 39 ILE HG13 1.800 . 5.000 2.855 1.946 4.494 . 0 0 "[ . 1 . 2]" 1
452 1 37 THR MG 1 39 ILE HG12 1.800 . 5.000 3.261 2.315 5.003 0.003 9 0 "[ . 1 . 2]" 1
453 1 37 THR MG 1 82 GLU QB 1.800 . 5.000 3.616 3.284 3.991 . 0 0 "[ . 1 . 2]" 1
454 1 37 THR MG 1 82 GLU H 1.800 . 5.000 4.382 3.821 4.907 . 0 0 "[ . 1 . 2]" 1
455 1 37 THR MG 1 84 VAL QG 1.800 . 5.000 4.822 3.753 5.013 0.013 18 0 "[ . 1 . 2]" 1
456 1 37 THR H 1 38 LYS H 1.800 . 5.000 4.282 4.012 4.436 . 0 0 "[ . 1 . 2]" 1
457 1 37 THR H 1 82 GLU QB 1.800 . 5.000 2.783 2.262 3.345 . 0 0 "[ . 1 . 2]" 1
458 1 37 THR H 1 82 GLU H 1.800 . 4.000 3.426 3.083 3.834 . 0 0 "[ . 1 . 2]" 1
459 1 37 THR H 1 83 ASN HA 1.800 . 4.000 3.682 3.179 4.007 0.007 5 0 "[ . 1 . 2]" 1
460 1 38 LYS HA 1 39 ILE H 1.800 . 3.500 2.156 2.088 2.212 . 0 0 "[ . 1 . 2]" 1
461 1 38 LYS HA 1 79 TYR QD 1.800 . 5.000 4.033 3.343 4.485 . 0 0 "[ . 1 . 2]" 1
462 1 38 LYS HA 1 81 GLN HA 1.800 . 4.000 2.240 1.808 2.605 . 0 0 "[ . 1 . 2]" 1
463 1 38 LYS QB 1 81 GLN HG3 1.800 . 5.000 3.655 2.055 4.998 . 0 0 "[ . 1 . 2]" 1
464 1 38 LYS QB 1 81 GLN HG2 1.800 . 5.000 3.492 2.297 5.001 0.001 19 0 "[ . 1 . 2]" 1
465 1 38 LYS HD3 1 40 GLN HE21 1.800 . 5.000 4.239 2.950 5.001 0.001 17 0 "[ . 1 . 2]" 1
466 1 38 LYS HD3 1 40 GLN HE22 1.800 . 5.000 3.735 2.429 4.760 . 0 0 "[ . 1 . 2]" 1
467 1 38 LYS HD3 1 79 TYR QD 1.800 . 5.000 4.133 2.798 5.005 0.005 10 0 "[ . 1 . 2]" 1
468 1 38 LYS HD2 1 40 GLN HE21 1.800 . 5.000 4.517 3.103 5.013 0.013 14 0 "[ . 1 . 2]" 1
469 1 38 LYS HD2 1 40 GLN HE22 1.800 . 5.000 4.050 2.310 5.004 0.004 7 0 "[ . 1 . 2]" 1
470 1 38 LYS HD2 1 79 TYR QD 1.800 . 5.000 4.087 2.685 4.899 . 0 0 "[ . 1 . 2]" 1
471 1 38 LYS QD 1 79 TYR QB 1.800 . 5.000 3.999 2.515 4.759 . 0 0 "[ . 1 . 2]" 1
472 1 38 LYS QD 1 79 TYR QE 1.800 . 5.000 3.558 2.712 4.316 . 0 0 "[ . 1 . 2]" 1
473 1 38 LYS HE3 1 79 TYR QD 1.800 . 5.000 4.018 2.824 5.006 0.006 5 0 "[ . 1 . 2]" 1
474 1 38 LYS HE2 1 79 TYR QD 1.800 . 5.000 3.739 2.782 5.000 . 0 0 "[ . 1 . 2]" 1
475 1 38 LYS QE 1 40 GLN QE 1.800 . 5.000 3.247 1.908 4.841 . 0 0 "[ . 1 . 2]" 1
476 1 38 LYS QE 1 79 TYR QE 1.800 . 5.000 3.138 2.626 4.097 . 0 0 "[ . 1 . 2]" 1
477 1 38 LYS HG3 1 79 TYR QD 1.800 . 5.000 2.449 2.141 3.489 . 0 0 "[ . 1 . 2]" 1
478 1 38 LYS HG2 1 79 TYR QD 1.800 . 5.000 3.510 2.494 4.586 . 0 0 "[ . 1 . 2]" 1
479 1 38 LYS QG 1 40 GLN QE 1.800 . 5.000 2.329 1.800 3.488 0.000 14 0 "[ . 1 . 2]" 1
480 1 38 LYS QG 1 81 GLN QG 1.800 . 5.000 2.979 1.856 4.553 . 0 0 "[ . 1 . 2]" 1
481 1 38 LYS H 1 39 ILE H 1.800 . 5.000 4.222 4.007 4.345 . 0 0 "[ . 1 . 2]" 1
482 1 39 ILE HA 1 40 GLN H 1.800 . 3.500 2.164 2.135 2.207 . 0 0 "[ . 1 . 2]" 1
483 1 39 ILE HB 1 80 ALA MB 1.800 . 5.000 2.878 2.403 3.503 . 0 0 "[ . 1 . 2]" 1
484 1 39 ILE HB 1 80 ALA H 1.800 . 5.000 3.444 3.267 3.684 . 0 0 "[ . 1 . 2]" 1
485 1 39 ILE MD 1 80 ALA MB 1.800 . 5.000 3.452 2.844 4.152 . 0 0 "[ . 1 . 2]" 1
486 1 39 ILE MD 1 81 GLN HA 1.800 . 5.000 4.359 3.056 5.005 0.005 19 0 "[ . 1 . 2]" 1
487 1 39 ILE MD 1 82 GLU QB 1.800 . 5.000 2.961 2.297 4.212 . 0 0 "[ . 1 . 2]" 1
488 1 39 ILE MD 1 82 GLU H 1.800 . 5.000 3.544 2.473 4.350 . 0 0 "[ . 1 . 2]" 1
489 1 39 ILE MG 1 43 SER QB 1.800 . 5.000 2.796 1.982 3.982 . 0 0 "[ . 1 . 2]" 1
490 1 39 ILE MG 1 44 ILE QG 1.800 . 5.000 3.763 3.022 4.600 . 0 0 "[ . 1 . 2]" 1
491 1 39 ILE MG 1 56 LEU MD2 1.800 . 5.000 3.357 2.667 4.132 . 0 0 "[ . 1 . 2]" 1
492 1 39 ILE MG 1 80 ALA MB 1.800 . 5.000 3.868 3.380 4.444 . 0 0 "[ . 1 . 2]" 1
493 1 39 ILE MG 1 80 ALA H 1.800 . 5.000 4.192 4.017 4.403 . 0 0 "[ . 1 . 2]" 1
494 1 39 ILE H 1 79 TYR QD 1.800 . 5.000 4.398 3.652 5.001 0.001 18 0 "[ . 1 . 2]" 1
495 1 39 ILE H 1 80 ALA MB 1.800 . 5.000 3.800 3.234 4.099 . 0 0 "[ . 1 . 2]" 1
496 1 39 ILE H 1 80 ALA H 1.800 . 4.000 3.469 3.190 3.741 . 0 0 "[ . 1 . 2]" 1
497 1 39 ILE H 1 81 GLN HA 1.800 . 4.000 3.052 2.641 3.725 . 0 0 "[ . 1 . 2]" 1
498 1 40 GLN HA 1 41 PHE H 1.800 . 3.500 2.290 2.196 2.367 . 0 0 "[ . 1 . 2]" 1
499 1 40 GLN HA 1 79 TYR HA 1.800 . 4.000 2.547 2.186 2.989 . 0 0 "[ . 1 . 2]" 1
500 1 40 GLN HA 1 79 TYR HB3 1.800 . 5.000 2.733 1.951 3.523 . 0 0 "[ . 1 . 2]" 1
501 1 40 GLN HA 1 79 TYR HB2 1.800 . 5.000 2.823 2.425 3.394 . 0 0 "[ . 1 . 2]" 1
502 1 40 GLN HA 1 79 TYR QD 1.800 . 5.000 4.556 4.045 5.009 0.009 1 0 "[ . 1 . 2]" 1
503 1 40 GLN HA 1 80 ALA H 1.800 . 4.000 3.559 3.264 3.919 . 0 0 "[ . 1 . 2]" 1
504 1 40 GLN HB3 1 42 ALA MB 1.800 . 5.000 3.375 3.002 4.778 . 0 0 "[ . 1 . 2]" 1
505 1 40 GLN HB2 1 42 ALA MB 1.800 . 5.000 3.551 2.955 5.002 0.002 1 0 "[ . 1 . 2]" 1
506 1 40 GLN HE21 1 79 TYR HB3 1.800 . 5.000 3.444 2.450 4.162 . 0 0 "[ . 1 . 2]" 1
507 1 40 GLN HE21 1 79 TYR HB2 1.800 . 5.000 3.256 2.291 4.595 . 0 0 "[ . 1 . 2]" 1
508 1 40 GLN HE21 1 79 TYR QD 1.800 . 5.000 4.327 3.887 4.832 . 0 0 "[ . 1 . 2]" 1
509 1 40 GLN HE22 1 79 TYR HB3 1.800 . 5.000 2.984 2.143 4.486 . 0 0 "[ . 1 . 2]" 1
510 1 40 GLN HE22 1 79 TYR HB2 1.800 . 5.000 3.053 1.877 4.209 . 0 0 "[ . 1 . 2]" 1
511 1 40 GLN HE22 1 79 TYR QD 1.800 . 5.000 3.707 2.787 4.955 . 0 0 "[ . 1 . 2]" 1
512 1 40 GLN H 1 41 PHE H 1.800 . 5.000 4.612 4.536 4.655 . 0 0 "[ . 1 . 2]" 1
513 1 40 GLN H 1 43 SER QB 1.800 . 5.000 3.483 2.503 4.641 . 0 0 "[ . 1 . 2]" 1
514 1 41 PHE HA 1 44 ILE MD 1.800 . 5.000 4.252 4.022 4.451 . 0 0 "[ . 1 . 2]" 1
515 1 41 PHE HA 1 44 ILE QG 1.800 . 5.000 4.910 4.743 5.004 0.004 14 0 "[ . 1 . 2]" 1
516 1 41 PHE HA 1 46 ALA MB 1.800 . 5.000 3.101 2.701 3.638 . 0 0 "[ . 1 . 2]" 1
517 1 41 PHE HB3 1 46 ALA MB 1.800 . 5.000 3.287 2.673 4.008 . 0 0 "[ . 1 . 2]" 1
518 1 41 PHE HB2 1 46 ALA MB 1.800 . 5.000 4.534 3.946 5.008 0.008 1 0 "[ . 1 . 2]" 1
519 1 41 PHE QD 1 44 ILE MD 1.800 . 5.000 4.488 3.798 5.004 0.004 4 0 "[ . 1 . 2]" 1
520 1 41 PHE QD 1 46 ALA MB 1.800 . 5.000 3.176 2.789 3.557 . 0 0 "[ . 1 . 2]" 1
521 1 41 PHE QD 1 46 ALA H 1.800 . 5.000 4.578 4.173 5.002 0.002 17 0 "[ . 1 . 2]" 1
522 1 41 PHE QD 1 52 ALA MB 1.800 . 5.000 3.672 3.166 4.169 . 0 0 "[ . 1 . 2]" 1
523 1 41 PHE QD 1 78 THR HA 1.800 . 5.000 3.603 2.515 4.583 . 0 0 "[ . 1 . 2]" 1
524 1 41 PHE QD 1 79 TYR HA 1.800 . 5.000 2.619 1.856 3.611 . 0 0 "[ . 1 . 2]" 1
525 1 41 PHE QD 1 80 ALA MB 1.800 . 5.000 3.685 3.437 3.978 . 0 0 "[ . 1 . 2]" 1
526 1 41 PHE QD 1 80 ALA H 1.800 . 5.000 3.488 3.013 3.975 . 0 0 "[ . 1 . 2]" 1
527 1 41 PHE QE 1 49 LYS HA 1.800 . 5.000 2.998 1.799 3.679 0.001 7 0 "[ . 1 . 2]" 1
528 1 41 PHE QE 1 49 LYS H 1.800 . 5.000 3.453 2.964 3.899 . 0 0 "[ . 1 . 2]" 1
529 1 41 PHE QE 1 52 ALA MB 1.800 . 5.000 2.777 2.301 3.253 . 0 0 "[ . 1 . 2]" 1
530 1 41 PHE QE 1 77 ASP HA 1.800 . 5.000 4.066 2.065 5.003 0.003 12 0 "[ . 1 . 2]" 1
531 1 41 PHE QE 1 78 THR HA 1.800 . 5.000 4.216 2.697 4.997 . 0 0 "[ . 1 . 2]" 1
532 1 41 PHE QE 1 79 TYR H 1.800 . 5.000 4.017 3.335 4.411 . 0 0 "[ . 1 . 2]" 1
533 1 41 PHE QE 1 80 ALA MB 1.800 . 5.000 2.130 1.803 2.625 . 0 0 "[ . 1 . 2]" 1
534 1 41 PHE QE 1 80 ALA H 1.800 . 5.000 3.278 2.994 3.753 . 0 0 "[ . 1 . 2]" 1
535 1 41 PHE H 1 42 ALA H 1.800 . 5.000 2.869 2.567 4.558 . 0 0 "[ . 1 . 2]" 1
536 1 41 PHE H 1 79 TYR HA 1.800 . 4.000 2.769 2.501 2.949 . 0 0 "[ . 1 . 2]" 1
537 1 41 PHE H 1 79 TYR HB3 1.800 . 5.000 3.837 3.108 4.417 . 0 0 "[ . 1 . 2]" 1
538 1 41 PHE H 1 79 TYR HB2 1.800 . 5.000 4.449 4.026 4.834 . 0 0 "[ . 1 . 2]" 1
539 1 41 PHE HZ 1 46 ALA MB 1.800 . 5.000 4.541 3.885 5.006 0.006 11 0 "[ . 1 . 2]" 1
540 1 41 PHE HZ 1 49 LYS QB 1.800 . 5.000 3.242 2.016 4.360 . 0 0 "[ . 1 . 2]" 1
541 1 41 PHE HZ 1 49 LYS H 1.800 . 5.000 4.364 3.413 5.001 0.001 6 0 "[ . 1 . 2]" 1
542 1 41 PHE HZ 1 52 ALA MB 1.800 . 5.000 2.944 2.416 3.598 . 0 0 "[ . 1 . 2]" 1
543 1 41 PHE HZ 1 79 TYR H 1.800 . 5.000 4.734 4.235 5.007 0.007 6 0 "[ . 1 . 2]" 1
544 1 42 ALA HA 1 44 ILE H 1.800 . 5.000 4.410 3.805 4.785 . 0 0 "[ . 1 . 2]" 1
545 1 42 ALA HA 1 45 GLY H 1.800 . 5.000 3.653 3.286 4.363 . 0 0 "[ . 1 . 2]" 1
546 1 42 ALA HA 1 46 ALA H 1.800 . 5.000 4.552 4.005 5.004 0.004 6 0 "[ . 1 . 2]" 1
547 1 42 ALA MB 1 44 ILE MG 1.800 . 5.000 4.840 4.179 5.005 0.005 4 0 "[ . 1 . 2]" 1
548 1 42 ALA H 1 43 SER H 1.800 . 5.000 2.536 1.817 3.636 . 0 0 "[ . 1 . 2]" 1
549 1 42 ALA H 1 44 ILE H 1.800 . 5.000 3.950 2.509 4.352 . 0 0 "[ . 1 . 2]" 1
550 1 43 SER H 1 44 ILE H 1.800 . 3.500 2.354 1.890 2.676 . 0 0 "[ . 1 . 2]" 1
551 1 44 ILE HA 1 46 ALA H 1.800 . 5.000 4.846 4.356 5.007 0.007 14 0 "[ . 1 . 2]" 1
552 1 44 ILE HB 1 55 THR MG 1.800 . 5.000 4.849 4.354 5.006 0.006 13 0 "[ . 1 . 2]" 1
553 1 44 ILE HB 1 56 LEU QD 1.800 . 5.000 3.642 2.922 4.294 . 0 0 "[ . 1 . 2]" 1
554 1 44 ILE MD 1 46 ALA HA 1.800 . 5.000 4.583 3.854 5.005 0.005 14 0 "[ . 1 . 2]" 1
555 1 44 ILE MD 1 46 ALA MB 1.800 . 5.000 2.420 1.907 2.782 . 0 0 "[ . 1 . 2]" 1
556 1 44 ILE MD 1 52 ALA HA 1.800 . 5.000 2.337 1.846 2.848 . 0 0 "[ . 1 . 2]" 1
557 1 44 ILE MD 1 52 ALA H 1.800 . 5.000 4.573 3.851 4.999 . 0 0 "[ . 1 . 2]" 1
558 1 44 ILE MD 1 55 THR HA 1.800 . 5.000 4.682 4.364 5.002 0.002 17 0 "[ . 1 . 2]" 1
559 1 44 ILE MD 1 55 THR HB 1.800 . 5.000 2.072 1.793 2.421 0.007 18 0 "[ . 1 . 2]" 1
560 1 44 ILE MD 1 55 THR MG 1.800 . 5.000 2.515 2.012 2.967 . 0 0 "[ . 1 . 2]" 1
561 1 44 ILE MD 1 55 THR H 1.800 . 5.000 4.022 3.329 4.424 . 0 0 "[ . 1 . 2]" 1
562 1 44 ILE MD 1 56 LEU QD 1.800 . 5.000 2.135 1.801 2.497 . 0 0 "[ . 1 . 2]" 1
563 1 44 ILE MD 1 56 LEU HG 1.800 . 5.000 2.399 1.940 2.940 . 0 0 "[ . 1 . 2]" 1
564 1 44 ILE MD 1 56 LEU H 1.800 . 5.000 3.803 3.327 4.156 . 0 0 "[ . 1 . 2]" 1
565 1 44 ILE QG 1 52 ALA MB 1.800 . 5.000 4.484 4.119 4.999 . 0 0 "[ . 1 . 2]" 1
566 1 44 ILE QG 1 55 THR HB 1.800 . 5.000 3.551 2.923 3.970 . 0 0 "[ . 1 . 2]" 1
567 1 44 ILE QG 1 56 LEU MD2 1.800 . 5.000 3.526 2.788 4.154 . 0 0 "[ . 1 . 2]" 1
568 1 44 ILE QG 1 56 LEU HG 1.800 . 5.000 4.333 3.685 4.964 . 0 0 "[ . 1 . 2]" 1
569 1 44 ILE MG 1 55 THR MG 1.800 . 5.000 4.671 4.276 4.963 . 0 0 "[ . 1 . 2]" 1
570 1 44 ILE H 1 45 GLY H 1.800 . 3.500 2.332 1.970 2.515 . 0 0 "[ . 1 . 2]" 1
571 1 44 ILE H 1 46 ALA H 1.800 . 5.000 3.871 3.629 4.132 . 0 0 "[ . 1 . 2]" 1
572 1 45 GLY H 1 46 ALA H 1.800 . 3.500 2.310 2.148 2.546 . 0 0 "[ . 1 . 2]" 1
573 1 46 ALA HA 1 47 THR H 1.800 . 2.900 2.221 2.129 2.492 . 0 0 "[ . 1 . 2]" 1
574 1 46 ALA HA 1 48 THR H 1.800 . 5.000 3.966 3.376 4.899 . 0 0 "[ . 1 . 2]" 1
575 1 46 ALA HA 1 51 ASP QB 1.800 . 5.000 3.063 1.998 4.300 . 0 0 "[ . 1 . 2]" 1
576 1 46 ALA MB 1 51 ASP HA 1.800 . 5.000 4.514 4.205 5.010 0.010 4 0 "[ . 1 . 2]" 1
577 1 46 ALA MB 1 51 ASP QB 1.800 . 5.000 2.495 1.795 3.898 0.005 19 0 "[ . 1 . 2]" 1
578 1 46 ALA MB 1 51 ASP H 1.800 . 5.000 4.234 3.722 4.881 . 0 0 "[ . 1 . 2]" 1
579 1 46 ALA MB 1 52 ALA HA 1.800 . 5.000 2.529 2.164 3.137 . 0 0 "[ . 1 . 2]" 1
580 1 46 ALA H 1 47 THR H 1.800 . 5.000 4.475 4.299 4.592 . 0 0 "[ . 1 . 2]" 1
581 1 47 THR H 1 48 THR H 1.800 . 3.500 2.281 1.804 2.628 . 0 0 "[ . 1 . 2]" 1
582 1 47 THR H 1 51 ASP QB 1.800 . 5.000 2.785 2.324 3.862 . 0 0 "[ . 1 . 2]" 1
583 1 48 THR HA 1 49 LYS H 1.800 . 3.500 2.498 2.266 2.700 . 0 0 "[ . 1 . 2]" 1
584 1 48 THR HA 1 50 GLU H 1.800 . 5.000 4.328 3.867 4.729 . 0 0 "[ . 1 . 2]" 1
585 1 48 THR H 1 49 LYS H 1.800 . 5.000 4.418 4.307 4.550 . 0 0 "[ . 1 . 2]" 1
586 1 48 THR H 1 51 ASP QB 1.800 . 5.000 2.413 1.785 3.905 0.015 10 0 "[ . 1 . 2]" 1
587 1 48 THR H 1 52 ALA MB 1.800 . 5.000 4.654 3.685 5.014 0.014 19 0 "[ . 1 . 2]" 1
588 1 49 LYS HA 1 51 ASP H 1.800 . 5.000 4.407 4.063 4.832 . 0 0 "[ . 1 . 2]" 1
589 1 49 LYS HA 1 52 ALA MB 1.800 . 5.000 2.513 1.939 3.134 . 0 0 "[ . 1 . 2]" 1
590 1 49 LYS HA 1 52 ALA H 1.800 . 5.000 3.325 2.954 3.722 . 0 0 "[ . 1 . 2]" 1
591 1 49 LYS HA 1 53 ALA H 1.800 . 5.000 4.053 3.647 4.468 . 0 0 "[ . 1 . 2]" 1
592 1 49 LYS QB 1 52 ALA MB 1.800 . 5.000 3.819 3.112 4.730 . 0 0 "[ . 1 . 2]" 1
593 1 49 LYS H 1 50 GLU H 1.800 . 5.000 2.624 2.321 2.984 . 0 0 "[ . 1 . 2]" 1
594 1 49 LYS H 1 51 ASP H 1.800 . 5.000 4.280 3.924 4.788 . 0 0 "[ . 1 . 2]" 1
595 1 50 GLU HA 1 53 ALA MB 1.800 . 5.000 2.795 2.220 3.107 . 0 0 "[ . 1 . 2]" 1
596 1 50 GLU HA 1 53 ALA H 1.800 . 5.000 3.446 2.942 3.777 . 0 0 "[ . 1 . 2]" 1
597 1 50 GLU HA 1 54 LYS H 1.800 . 5.000 4.067 3.674 4.586 . 0 0 "[ . 1 . 2]" 1
598 1 50 GLU H 1 51 ASP H 1.800 . 3.500 2.666 2.444 2.933 . 0 0 "[ . 1 . 2]" 1
599 1 50 GLU H 1 52 ALA H 1.800 . 5.000 3.978 3.655 4.278 . 0 0 "[ . 1 . 2]" 1
600 1 50 GLU H 1 53 ALA MB 1.800 . 5.000 4.828 4.557 5.005 0.005 10 0 "[ . 1 . 2]" 1
601 1 51 ASP HA 1 53 ALA H 1.800 . 5.000 4.531 4.278 4.816 . 0 0 "[ . 1 . 2]" 1
602 1 51 ASP HA 1 54 LYS QB 1.800 . 5.000 2.803 1.800 3.920 0.000 15 0 "[ . 1 . 2]" 1
603 1 51 ASP HA 1 54 LYS QE 1.800 . 5.000 3.217 1.796 5.003 0.004 8 0 "[ . 1 . 2]" 1
604 1 51 ASP HA 1 54 LYS H 1.800 . 5.000 3.547 3.084 3.923 . 0 0 "[ . 1 . 2]" 1
605 1 51 ASP H 1 53 ALA H 1.800 . 5.000 4.224 3.820 4.451 . 0 0 "[ . 1 . 2]" 1
606 1 52 ALA HA 1 55 THR HB 1.800 . 5.000 3.223 2.876 3.709 . 0 0 "[ . 1 . 2]" 1
607 1 52 ALA HA 1 55 THR MG 1.800 . 5.000 4.520 4.189 5.002 0.002 9 0 "[ . 1 . 2]" 1
608 1 52 ALA HA 1 55 THR H 1.800 . 5.000 3.667 3.444 3.951 . 0 0 "[ . 1 . 2]" 1
609 1 52 ALA HA 1 56 LEU QD 1.800 . 5.000 3.863 3.141 4.330 . 0 0 "[ . 1 . 2]" 1
610 1 52 ALA HA 1 56 LEU H 1.800 . 5.000 4.239 3.838 4.649 . 0 0 "[ . 1 . 2]" 1
611 1 52 ALA MB 1 75 TYR QD 1.800 . 5.000 2.946 2.351 3.759 . 0 0 "[ . 1 . 2]" 1
612 1 52 ALA MB 1 75 TYR QE 1.800 . 5.000 2.822 1.861 4.370 . 0 0 "[ . 1 . 2]" 1
613 1 52 ALA MB 1 80 ALA MB 1.800 . 5.000 2.877 2.214 3.422 . 0 0 "[ . 1 . 2]" 1
614 1 52 ALA H 1 53 ALA H 1.800 . 3.500 2.680 2.340 2.818 . 0 0 "[ . 1 . 2]" 1
615 1 52 ALA H 1 54 LYS H 1.800 . 5.000 4.142 3.952 4.317 . 0 0 "[ . 1 . 2]" 1
616 1 53 ALA HA 1 55 THR H 1.800 . 5.000 3.809 3.677 4.099 . 0 0 "[ . 1 . 2]" 1
617 1 53 ALA HA 1 56 LEU QB 1.800 . 5.000 2.877 2.368 3.440 . 0 0 "[ . 1 . 2]" 1
618 1 53 ALA HA 1 56 LEU H 1.800 . 5.000 3.167 2.941 3.504 . 0 0 "[ . 1 . 2]" 1
619 1 53 ALA HA 1 57 GLU HG3 1.800 . 5.000 3.106 2.180 5.001 0.001 4 0 "[ . 1 . 2]" 1
620 1 53 ALA HA 1 57 GLU HG2 1.800 . 5.000 3.629 2.241 4.366 . 0 0 "[ . 1 . 2]" 1
621 1 53 ALA HA 1 57 GLU H 1.800 . 5.000 3.213 2.967 3.806 . 0 0 "[ . 1 . 2]" 1
622 1 53 ALA HA 1 75 TYR QE 1.800 . 5.000 3.084 2.279 4.766 . 0 0 "[ . 1 . 2]" 1
623 1 53 ALA MB 1 57 GLU HA 1.800 . 5.000 5.005 4.980 5.019 0.019 10 0 "[ . 1 . 2]" 1
624 1 53 ALA MB 1 57 GLU QB 1.800 . 5.000 3.907 3.606 4.369 . 0 0 "[ . 1 . 2]" 1
625 1 53 ALA MB 1 57 GLU HG3 1.800 . 5.000 2.461 2.218 3.526 . 0 0 "[ . 1 . 2]" 1
626 1 53 ALA MB 1 57 GLU HG2 1.800 . 5.000 3.182 2.427 3.495 . 0 0 "[ . 1 . 2]" 1
627 1 53 ALA MB 1 73 LEU MD1 1.800 . 5.000 4.047 3.620 4.503 . 0 0 "[ . 1 . 2]" 1
628 1 53 ALA MB 1 75 TYR QD 1.800 . 5.000 3.953 3.257 4.428 . 0 0 "[ . 1 . 2]" 1
629 1 53 ALA MB 1 75 TYR QE 1.800 . 5.000 2.972 2.338 3.352 . 0 0 "[ . 1 . 2]" 1
630 1 53 ALA H 1 54 LYS H 1.800 . 3.500 2.721 2.655 2.801 . 0 0 "[ . 1 . 2]" 1
631 1 53 ALA H 1 55 THR H 1.800 . 5.000 4.024 3.897 4.250 . 0 0 "[ . 1 . 2]" 1
632 1 53 ALA H 1 75 TYR QD 1.800 . 5.000 4.562 4.025 5.005 0.005 8 0 "[ . 1 . 2]" 1
633 1 53 ALA H 1 75 TYR QE 1.800 . 5.000 3.713 3.022 4.564 . 0 0 "[ . 1 . 2]" 1
634 1 54 LYS HA 1 57 GLU H 1.800 . 5.000 4.269 3.590 4.610 . 0 0 "[ . 1 . 2]" 1
635 1 54 LYS H 1 55 THR H 1.800 . 3.500 2.710 2.617 2.871 . 0 0 "[ . 1 . 2]" 1
636 1 54 LYS H 1 56 LEU H 1.800 . 5.000 4.259 4.092 4.406 . 0 0 "[ . 1 . 2]" 1
637 1 55 THR MG 1 59 LEU MD1 1.800 . 5.000 3.618 2.316 5.004 0.004 19 0 "[ . 1 . 2]" 1
638 1 55 THR H 1 56 LEU H 1.800 . 3.500 2.240 2.161 2.358 . 0 0 "[ . 1 . 2]" 1
639 1 56 LEU HA 1 59 LEU QB 1.800 . 5.000 2.558 2.072 3.517 . 0 0 "[ . 1 . 2]" 1
640 1 56 LEU HA 1 59 LEU HB2 1.800 . 5.000 2.766 2.276 3.577 . 0 0 "[ . 1 . 2]" 1
641 1 56 LEU HA 1 59 LEU MD1 1.800 . 5.000 3.116 2.144 4.322 . 0 0 "[ . 1 . 2]" 1
642 1 56 LEU HA 1 59 LEU H 1.800 . 5.000 3.394 2.915 3.890 . 0 0 "[ . 1 . 2]" 1
643 1 56 LEU HA 1 73 LEU MD1 1.800 . 5.000 4.358 3.724 5.007 0.007 17 0 "[ . 1 . 2]" 1
644 1 56 LEU HA 1 73 LEU MD2 1.800 . 5.000 4.556 4.037 4.964 . 0 0 "[ . 1 . 2]" 1
645 1 56 LEU QB 1 59 LEU MD1 1.800 . 5.000 4.504 3.713 5.014 0.014 14 0 "[ . 1 . 2]" 1
646 1 56 LEU QB 1 73 LEU MD1 1.800 . 5.000 2.511 1.855 2.976 . 0 0 "[ . 1 . 2]" 1
647 1 56 LEU QB 1 73 LEU QD 1.800 . 5.000 2.190 1.827 2.526 . 0 0 "[ . 1 . 2]" 1
648 1 56 LEU QB 1 73 LEU MD2 1.800 . 5.000 2.486 2.017 2.803 . 0 0 "[ . 1 . 2]" 1
649 1 56 LEU HG 1 73 LEU MD2 1.800 . 5.000 4.640 4.096 5.003 0.003 5 0 "[ . 1 . 2]" 1
650 1 56 LEU H 1 58 PRO HD3 1.800 . 5.000 4.895 4.758 5.001 0.001 6 0 "[ . 1 . 2]" 1
651 1 56 LEU H 1 58 PRO HD2 1.800 . 5.000 3.486 3.348 3.720 . 0 0 "[ . 1 . 2]" 1
652 1 57 GLU HA 1 58 PRO HD3 1.800 . 5.000 4.187 3.987 4.360 . 0 0 "[ . 1 . 2]" 1
653 1 57 GLU HA 1 58 PRO HD2 1.800 . 5.000 3.868 3.772 4.114 . 0 0 "[ . 1 . 2]" 1
654 1 57 GLU HA 1 60 SER H 1.800 . 5.000 3.518 2.926 4.004 . 0 0 "[ . 1 . 2]" 1
655 1 57 GLU HA 1 73 LEU MD1 1.800 . 5.000 2.424 1.986 3.178 . 0 0 "[ . 1 . 2]" 1
656 1 57 GLU HA 1 73 LEU MD2 1.800 . 5.000 4.461 3.980 5.002 0.002 19 0 "[ . 1 . 2]" 1
657 1 57 GLU HB3 1 58 PRO HD3 1.800 . 4.000 3.149 2.777 3.372 . 0 0 "[ . 1 . 2]" 1
658 1 57 GLU HB3 1 58 PRO HD2 1.800 . 4.000 3.957 3.715 4.013 0.013 7 0 "[ . 1 . 2]" 1
659 1 57 GLU HB2 1 58 PRO HD3 1.800 . 4.000 2.041 1.789 2.408 0.011 7 0 "[ . 1 . 2]" 1
660 1 57 GLU HB2 1 58 PRO HD2 1.800 . 4.000 2.708 2.615 2.812 . 0 0 "[ . 1 . 2]" 1
661 1 57 GLU HG3 1 58 PRO HD3 1.800 . 5.000 4.251 4.000 4.654 . 0 0 "[ . 1 . 2]" 1
662 1 57 GLU HG3 1 58 PRO HD2 1.800 . 5.000 4.396 4.003 5.006 0.006 9 0 "[ . 1 . 2]" 1
663 1 57 GLU HG2 1 58 PRO HD3 1.800 . 5.000 4.788 4.152 5.013 0.013 3 0 "[ . 1 . 2]" 1
664 1 57 GLU HG2 1 58 PRO HD2 1.800 . 5.000 4.815 4.003 5.014 0.014 5 0 "[ . 1 . 2]" 1
665 1 57 GLU QG 1 73 LEU MD2 1.800 . 5.000 4.750 4.260 5.013 0.013 20 0 "[ . 1 . 2]" 1
666 1 58 PRO HA 1 61 ALA MB 1.800 . 5.000 2.675 2.201 3.264 . 0 0 "[ . 1 . 2]" 1
667 1 58 PRO HA 1 61 ALA H 1.800 . 5.000 3.728 3.332 4.260 . 0 0 "[ . 1 . 2]" 1
668 1 59 LEU HA 1 62 LYS QD 1.800 . 5.000 3.424 2.247 5.005 0.005 5 0 "[ . 1 . 2]" 1
669 1 59 LEU HA 1 62 LYS QE 1.800 . 5.000 3.187 1.910 5.003 0.003 16 0 "[ . 1 . 2]" 1
670 1 59 LEU HA 1 62 LYS H 1.800 . 5.000 3.987 3.511 4.818 . 0 0 "[ . 1 . 2]" 1
671 1 59 LEU MD1 1 62 LYS QD 1.800 . 5.000 4.461 2.979 5.006 0.006 4 0 "[ . 1 . 2]" 1
672 1 59 LEU MD1 1 62 LYS QE 1.800 . 5.000 4.088 2.327 5.010 0.010 19 0 "[ . 1 . 2]" 1
673 1 59 LEU H 1 60 SER H 1.800 . 3.500 2.508 2.278 2.855 . 0 0 "[ . 1 . 2]" 1
674 1 59 LEU H 1 61 ALA H 1.800 . 5.000 3.642 3.406 3.992 . 0 0 "[ . 1 . 2]" 1
675 1 60 SER HA 1 62 LYS H 1.800 . 5.000 3.478 3.160 3.828 . 0 0 "[ . 1 . 2]" 1
676 1 60 SER HA 1 63 TYR QD 1.800 . 5.000 2.540 1.834 3.393 . 0 0 "[ . 1 . 2]" 1
677 1 60 SER HA 1 63 TYR QE 1.800 . 5.000 3.454 2.526 4.419 . 0 0 "[ . 1 . 2]" 1
678 1 60 SER HA 1 63 TYR H 1.800 . 5.000 3.806 3.169 4.193 . 0 0 "[ . 1 . 2]" 1
679 1 60 SER HA 1 73 LEU MD1 1.800 . 5.000 4.714 4.107 5.005 0.005 6 0 "[ . 1 . 2]" 1
680 1 60 SER HA 1 73 LEU MD2 1.800 . 5.000 4.730 4.380 5.003 0.003 11 0 "[ . 1 . 2]" 1
681 1 60 SER HB3 1 63 TYR QD 1.800 . 5.000 4.303 3.628 5.006 0.006 7 0 "[ . 1 . 2]" 1
682 1 60 SER HB3 1 73 LEU MD1 1.800 . 5.000 3.145 1.987 4.151 . 0 0 "[ . 1 . 2]" 1
683 1 60 SER HB3 1 73 LEU MD2 1.800 . 5.000 3.337 2.307 4.784 . 0 0 "[ . 1 . 2]" 1
684 1 60 SER HB2 1 63 TYR QD 1.800 . 5.000 4.551 3.481 5.006 0.006 1 0 "[ . 1 . 2]" 1
685 1 60 SER HB2 1 73 LEU MD1 1.800 . 5.000 3.187 2.126 3.993 . 0 0 "[ . 1 . 2]" 1
686 1 60 SER HB2 1 73 LEU MD2 1.800 . 5.000 4.037 2.808 5.006 0.006 3 0 "[ . 1 . 2]" 1
687 1 61 ALA HA 1 64 LYS QB 1.800 . 5.000 3.853 2.431 5.005 0.005 4 0 "[ . 1 . 2]" 1
688 1 61 ALA HA 1 64 LYS QG 1.800 . 5.000 3.863 1.880 5.008 0.008 13 0 "[ . 1 . 2]" 1
689 1 61 ALA HA 1 64 LYS H 1.800 . 5.000 3.438 2.637 4.171 . 0 0 "[ . 1 . 2]" 1
690 1 61 ALA MB 1 64 LYS QG 1.800 . 5.000 3.963 2.865 4.902 . 0 0 "[ . 1 . 2]" 1
691 1 62 LYS HA 1 64 LYS H 1.800 . 5.000 4.282 3.257 5.015 0.015 11 0 "[ . 1 . 2]" 1
692 1 62 LYS HA 1 99 ILE MG 1.800 . 5.000 4.489 3.796 5.007 0.007 12 0 "[ . 1 . 2]" 1
693 1 62 LYS HB3 1 99 ILE MG 1.800 . 5.000 2.628 1.800 3.701 0.000 11 0 "[ . 1 . 2]" 1
694 1 62 LYS HB2 1 99 ILE MG 1.800 . 5.000 2.812 2.239 4.284 . 0 0 "[ . 1 . 2]" 1
695 1 62 LYS QD 1 99 ILE MG 1.800 . 5.000 2.847 2.199 3.816 . 0 0 "[ . 1 . 2]" 1
696 1 62 LYS QE 1 99 ILE MG 1.800 . 5.000 4.178 2.534 4.870 . 0 0 "[ . 1 . 2]" 1
697 1 62 LYS H 1 64 LYS H 1.800 . 5.000 4.224 3.735 4.429 . 0 0 "[ . 1 . 2]" 1
698 1 63 TYR HA 1 66 ILE MD 1.800 . 5.000 2.224 1.842 2.874 . 0 0 "[ . 1 . 2]" 1
699 1 63 TYR HA 1 69 VAL MG1 1.800 . 5.000 4.468 3.918 5.001 0.001 14 0 "[ . 1 . 2]" 1
700 1 63 TYR HA 1 99 ILE MD 1.800 . 5.000 3.160 1.985 4.824 . 0 0 "[ . 1 . 2]" 1
701 1 63 TYR HA 1 99 ILE MG 1.800 . 5.000 3.783 2.743 4.836 . 0 0 "[ . 1 . 2]" 1
702 1 63 TYR HB3 1 69 VAL MG1 1.800 . 5.000 3.506 3.126 3.706 . 0 0 "[ . 1 . 2]" 1
703 1 63 TYR HB2 1 69 VAL MG1 1.800 . 5.000 4.915 4.491 5.014 0.014 18 0 "[ . 1 . 2]" 1
704 1 63 TYR QD 1 66 ILE MD 1.800 . 5.000 2.736 1.794 3.985 0.006 5 0 "[ . 1 . 2]" 1
705 1 63 TYR QD 1 69 VAL MG1 1.800 . 5.000 2.531 1.794 3.028 0.006 2 0 "[ . 1 . 2]" 1
706 1 63 TYR QD 1 69 VAL MG2 1.800 . 5.000 3.220 2.992 4.139 . 0 0 "[ . 1 . 2]" 1
707 1 63 TYR QD 1 84 VAL MG1 1.800 . 5.000 3.460 2.977 3.943 . 0 0 "[ . 1 . 2]" 1
708 1 63 TYR QD 1 84 VAL MG2 1.800 . 5.000 4.220 3.459 5.001 0.001 3 0 "[ . 1 . 2]" 1
709 1 63 TYR QD 1 99 ILE MD 1.800 . 5.000 3.696 2.344 5.007 0.007 9 0 "[ . 1 . 2]" 1
710 1 63 TYR QD 1 99 ILE MG 1.800 . 5.000 3.615 2.994 4.464 . 0 0 "[ . 1 . 2]" 1
711 1 63 TYR QE 1 69 VAL MG1 1.800 . 5.000 3.709 2.434 4.213 . 0 0 "[ . 1 . 2]" 1
712 1 63 TYR QE 1 69 VAL MG2 1.800 . 5.000 5.003 4.906 5.019 0.019 18 0 "[ . 1 . 2]" 1
713 1 63 TYR QE 1 84 VAL MG1 1.800 . 5.000 3.008 1.989 4.203 . 0 0 "[ . 1 . 2]" 1
714 1 63 TYR QE 1 84 VAL MG2 1.800 . 5.000 3.537 2.792 4.792 . 0 0 "[ . 1 . 2]" 1
715 1 63 TYR QE 1 96 LEU MD1 1.800 . 5.000 4.280 3.078 5.002 0.002 5 0 "[ . 1 . 2]" 1
716 1 63 TYR QE 1 99 ILE HB 1.800 . 5.000 4.234 2.975 5.004 0.004 5 0 "[ . 1 . 2]" 1
717 1 63 TYR QE 1 99 ILE MD 1.800 . 5.000 3.891 2.277 5.015 0.015 1 0 "[ . 1 . 2]" 1
718 1 63 TYR QE 1 99 ILE MG 1.800 . 5.000 3.225 2.547 4.133 . 0 0 "[ . 1 . 2]" 1
719 1 63 TYR H 1 64 LYS H 1.800 . 3.500 2.547 2.086 2.843 . 0 0 "[ . 1 . 2]" 1
720 1 64 LYS HA 1 65 ASN H 1.800 . 3.500 2.882 2.070 3.522 0.022 11 0 "[ . 1 . 2]" 1
721 1 64 LYS HA 1 66 ILE H 1.800 . 5.000 4.540 3.432 5.030 0.030 5 0 "[ . 1 . 2]" 1
722 1 64 LYS H 1 65 ASN H 1.800 . 5.000 3.758 2.177 4.571 . 0 0 "[ . 1 . 2]" 1
723 1 64 LYS H 1 66 ILE MD 1.800 . 5.000 4.716 3.738 5.016 0.016 5 0 "[ . 1 . 2]" 1
724 1 65 ASN HA 1 66 ILE H 1.800 . 3.500 2.836 2.385 3.365 . 0 0 "[ . 1 . 2]" 1
725 1 65 ASN H 1 66 ILE H 1.800 . 5.000 2.529 1.795 3.720 0.005 10 0 "[ . 1 . 2]" 1
726 1 66 ILE HA 1 67 ALA H 1.800 . 3.500 3.326 2.238 3.521 0.021 3 0 "[ . 1 . 2]" 1
727 1 66 ILE HA 1 69 VAL MG2 1.800 . 5.000 4.183 3.678 4.941 . 0 0 "[ . 1 . 2]" 1
728 1 66 ILE HB 1 69 VAL HB 1.800 . 5.000 4.362 2.670 5.002 0.002 16 0 "[ . 1 . 2]" 1
729 1 66 ILE HB 1 69 VAL MG1 1.800 . 5.000 2.988 2.049 3.990 . 0 0 "[ . 1 . 2]" 1
730 1 66 ILE HB 1 69 VAL MG2 1.800 . 5.000 2.412 1.968 3.551 . 0 0 "[ . 1 . 2]" 1
731 1 66 ILE MD 1 69 VAL HB 1.800 . 5.000 4.308 2.878 4.865 . 0 0 "[ . 1 . 2]" 1
732 1 66 ILE MD 1 69 VAL MG2 1.800 . 5.000 2.998 2.248 4.294 . 0 0 "[ . 1 . 2]" 1
733 1 66 ILE MD 1 91 VAL MG1 1.800 . 5.000 4.787 4.337 5.032 0.032 5 0 "[ . 1 . 2]" 1
734 1 66 ILE QG 1 69 VAL HB 1.800 . 5.000 4.948 4.306 5.012 0.012 15 0 "[ . 1 . 2]" 1
735 1 66 ILE QG 1 69 VAL QG 1.800 . 5.000 2.882 2.567 4.462 . 0 0 "[ . 1 . 2]" 1
736 1 66 ILE MG 1 69 VAL MG1 1.800 . 5.000 3.619 2.728 4.676 . 0 0 "[ . 1 . 2]" 1
737 1 66 ILE MG 1 92 ASP H 1.800 . 5.000 2.450 1.790 3.601 0.010 5 0 "[ . 1 . 2]" 1
738 1 66 ILE MG 1 96 LEU HA 1.800 . 5.000 4.355 2.779 5.007 0.007 10 0 "[ . 1 . 2]" 1
739 1 66 ILE H 1 67 ALA H 1.800 . 5.000 2.892 2.161 4.408 . 0 0 "[ . 1 . 2]" 1
740 1 66 ILE H 1 69 VAL HB 1.800 . 5.000 4.849 4.438 5.016 0.016 5 0 "[ . 1 . 2]" 1
741 1 66 ILE H 1 69 VAL MG2 1.800 . 5.000 2.602 1.952 5.003 0.003 3 0 "[ . 1 . 2]" 1
742 1 67 ALA HA 1 68 GLY H 1.800 . 3.500 2.964 2.137 3.504 0.004 11 0 "[ . 1 . 2]" 1
743 1 67 ALA HA 1 69 VAL H 1.800 . 5.000 4.237 3.744 5.005 0.005 11 0 "[ . 1 . 2]" 1
744 1 67 ALA MB 1 69 VAL MG1 1.800 . 5.000 2.920 1.995 4.445 . 0 0 "[ . 1 . 2]" 1
745 1 67 ALA MB 1 69 VAL MG2 1.800 . 5.000 3.154 1.799 4.243 0.001 3 0 "[ . 1 . 2]" 1
746 1 67 ALA MB 1 87 ASP H 1.800 . 5.000 4.082 3.260 4.973 . 0 0 "[ . 1 . 2]" 1
747 1 67 ALA MB 1 89 GLU H 1.800 . 5.000 4.943 4.401 5.019 0.019 10 0 "[ . 1 . 2]" 1
748 1 67 ALA MB 1 90 LYS HB3 1.800 . 5.000 2.241 1.800 3.575 . 20 0 "[ . 1 . 2]" 1
749 1 67 ALA MB 1 90 LYS HB2 1.800 . 5.000 3.614 1.795 5.011 0.011 18 0 "[ . 1 . 2]" 1
750 1 67 ALA MB 1 90 LYS QE 1.800 . 5.000 4.033 3.136 4.876 . 0 0 "[ . 1 . 2]" 1
751 1 67 ALA MB 1 91 VAL HA 1.800 . 5.000 2.233 1.796 3.559 0.004 5 0 "[ . 1 . 2]" 1
752 1 67 ALA MB 1 92 ASP QB 1.800 . 5.000 3.898 3.040 4.500 . 0 0 "[ . 1 . 2]" 1
753 1 67 ALA MB 1 92 ASP H 1.800 . 5.000 3.105 1.936 4.288 . 0 0 "[ . 1 . 2]" 1
754 1 67 ALA H 1 69 VAL QG 1.800 . 5.000 2.224 1.790 4.406 0.010 4 0 "[ . 1 . 2]" 1
755 1 68 GLY H 1 69 VAL H 1.800 . 3.500 3.136 2.531 3.505 0.005 18 0 "[ . 1 . 2]" 1
756 1 68 GLY H 1 90 LYS QB 1.800 . 5.000 3.099 1.892 4.775 . 0 0 "[ . 1 . 2]" 1
757 1 69 VAL HA 1 70 GLU H 1.800 . 2.900 2.121 2.071 2.207 . 0 0 "[ . 1 . 2]" 1
758 1 69 VAL HA 1 86 ILE HA 1.800 . 4.000 2.496 2.115 2.870 . 0 0 "[ . 1 . 2]" 1
759 1 69 VAL HA 1 86 ILE QG 1.800 . 5.000 3.813 3.164 4.424 . 0 0 "[ . 1 . 2]" 1
760 1 69 VAL HA 1 86 ILE MG 1.800 . 5.000 4.069 3.606 4.574 . 0 0 "[ . 1 . 2]" 1
761 1 69 VAL MG1 1 85 THR H 1.800 . 5.000 4.967 4.478 5.016 0.016 9 0 "[ . 1 . 2]" 1
762 1 69 VAL MG1 1 86 ILE QG 1.800 . 5.000 2.204 1.802 2.746 . 0 0 "[ . 1 . 2]" 1
763 1 69 VAL MG1 1 86 ILE MG 1.800 . 5.000 2.145 1.798 2.503 0.002 3 0 "[ . 1 . 2]" 1
764 1 69 VAL MG1 1 91 VAL HA 1.800 . 5.000 4.341 4.007 4.808 . 0 0 "[ . 1 . 2]" 1
765 1 69 VAL MG1 1 92 ASP H 1.800 . 5.000 5.002 4.902 5.030 0.030 19 0 "[ . 1 . 2]" 1
766 1 69 VAL MG2 1 86 ILE HA 1.800 . 5.000 4.329 2.432 4.876 . 0 0 "[ . 1 . 2]" 1
767 1 69 VAL MG2 1 86 ILE QG 1.800 . 5.000 4.436 3.622 4.819 . 0 0 "[ . 1 . 2]" 1
768 1 69 VAL MG2 1 86 ILE MG 1.800 . 5.000 4.175 2.172 4.862 . 0 0 "[ . 1 . 2]" 1
769 1 69 VAL QG 1 87 ASP H 1.800 . 5.000 2.811 1.800 3.619 0.000 2 0 "[ . 1 . 2]" 1
770 1 69 VAL H 1 70 GLU H 1.800 . 5.000 4.293 4.142 4.464 . 0 0 "[ . 1 . 2]" 1
771 1 70 GLU HA 1 71 GLU H 1.800 . 2.900 2.180 2.093 2.342 . 0 0 "[ . 1 . 2]" 1
772 1 70 GLU HB3 1 85 THR HB 1.800 . 5.000 3.677 1.788 4.876 0.012 18 0 "[ . 1 . 2]" 1
773 1 70 GLU HB2 1 85 THR HB 1.800 . 5.000 2.489 1.788 4.878 0.012 19 0 "[ . 1 . 2]" 1
774 1 70 GLU HG3 1 85 THR HB 1.800 . 5.000 3.145 2.162 4.354 . 0 0 "[ . 1 . 2]" 1
775 1 70 GLU HG3 1 85 THR MG 1.800 . 5.000 3.956 3.152 5.015 0.015 12 0 "[ . 1 . 2]" 1
776 1 70 GLU HG2 1 85 THR HB 1.800 . 5.000 3.793 1.874 4.758 . 0 0 "[ . 1 . 2]" 1
777 1 70 GLU HG2 1 85 THR MG 1.800 . 5.000 4.556 3.400 5.009 0.009 18 0 "[ . 1 . 2]" 1
778 1 70 GLU H 1 84 VAL QG 1.800 . 5.000 3.946 3.024 4.563 . 0 0 "[ . 1 . 2]" 1
779 1 70 GLU H 1 85 THR HB 1.800 . 5.000 2.612 2.195 3.062 . 0 0 "[ . 1 . 2]" 1
780 1 70 GLU H 1 85 THR MG 1.800 . 5.000 3.784 3.362 4.093 . 0 0 "[ . 1 . 2]" 1
781 1 70 GLU H 1 85 THR H 1.800 . 4.000 2.928 2.460 3.583 . 0 0 "[ . 1 . 2]" 1
782 1 71 GLU HA 1 72 LYS H 1.800 . 2.900 2.166 2.112 2.237 . 0 0 "[ . 1 . 2]" 1
783 1 71 GLU HA 1 84 VAL HA 1.800 . 3.000 2.512 2.204 2.849 . 0 0 "[ . 1 . 2]" 1
784 1 71 GLU HA 1 84 VAL MG1 1.800 . 5.000 3.229 2.444 3.697 . 0 0 "[ . 1 . 2]" 1
785 1 71 GLU HA 1 84 VAL MG2 1.800 . 5.000 2.951 2.100 3.846 . 0 0 "[ . 1 . 2]" 1
786 1 71 GLU HA 1 85 THR H 1.800 . 4.000 3.625 3.025 4.005 0.005 15 0 "[ . 1 . 2]" 1
787 1 71 GLU HB3 1 84 VAL MG2 1.800 . 5.000 3.578 2.674 5.004 0.004 18 0 "[ . 1 . 2]" 1
788 1 71 GLU HB2 1 84 VAL MG2 1.800 . 5.000 3.780 2.842 4.662 . 0 0 "[ . 1 . 2]" 1
789 1 71 GLU QG 1 84 VAL MG2 1.800 . 5.000 4.095 1.800 4.996 0.000 2 0 "[ . 1 . 2]" 1
790 1 71 GLU H 1 72 LYS H 1.800 . 5.000 4.220 3.934 4.524 . 0 0 "[ . 1 . 2]" 1
791 1 72 LYS HA 1 73 LEU H 1.800 . 2.900 2.160 2.091 2.252 . 0 0 "[ . 1 . 2]" 1
792 1 72 LYS HA 1 74 THR MG 1.800 . 5.000 4.673 4.145 5.008 0.008 18 0 "[ . 1 . 2]" 1
793 1 72 LYS QB 1 74 THR MG 1.800 . 5.000 3.353 2.459 4.334 . 0 0 "[ . 1 . 2]" 1
794 1 72 LYS QB 1 83 ASN HB3 1.800 . 5.000 2.259 1.797 3.536 0.003 15 0 "[ . 1 . 2]" 1
795 1 72 LYS QB 1 83 ASN HB2 1.800 . 5.000 3.211 1.797 4.054 0.003 7 0 "[ . 1 . 2]" 1
796 1 72 LYS QD 1 74 THR MG 1.800 . 5.000 3.879 2.825 5.008 0.008 1 0 "[ . 1 . 2]" 1
797 1 72 LYS QG 1 74 THR MG 1.800 . 5.000 3.448 2.087 4.999 . 0 0 "[ . 1 . 2]" 1
798 1 72 LYS H 1 83 ASN QB 1.800 . 5.000 3.341 2.807 3.990 . 0 0 "[ . 1 . 2]" 1
799 1 72 LYS H 1 83 ASN H 1.800 . 4.000 3.618 2.988 3.931 . 0 0 "[ . 1 . 2]" 1
800 1 72 LYS H 1 84 VAL HA 1.800 . 4.000 3.238 2.550 3.693 . 0 0 "[ . 1 . 2]" 1
801 1 72 LYS H 1 84 VAL MG1 1.800 . 5.000 4.702 3.966 5.009 0.009 8 0 "[ . 1 . 2]" 1
802 1 72 LYS H 1 84 VAL MG2 1.800 . 5.000 3.769 3.053 4.222 . 0 0 "[ . 1 . 2]" 1
803 1 73 LEU HA 1 74 THR H 1.800 . 2.900 2.163 2.128 2.225 . 0 0 "[ . 1 . 2]" 1
804 1 73 LEU HA 1 83 ASN H 1.800 . 4.000 3.388 3.065 3.912 . 0 0 "[ . 1 . 2]" 1
805 1 73 LEU MD1 1 75 TYR QE 1.800 . 5.000 3.177 2.572 3.861 . 0 0 "[ . 1 . 2]" 1
806 1 73 LEU MD1 1 82 GLU QB 1.800 . 5.000 4.886 4.518 5.016 0.016 3 0 "[ . 1 . 2]" 1
807 1 73 LEU MD1 1 82 GLU QG 1.800 . 5.000 4.226 3.879 4.969 . 0 0 "[ . 1 . 2]" 1
808 1 73 LEU MD2 1 75 TYR QD 1.800 . 5.000 4.778 3.899 5.008 0.008 2 0 "[ . 1 . 2]" 1
809 1 73 LEU MD2 1 75 TYR QE 1.800 . 5.000 3.824 3.101 5.003 0.003 8 0 "[ . 1 . 2]" 1
810 1 73 LEU MD2 1 80 ALA MB 1.800 . 5.000 3.644 2.927 4.175 . 0 0 "[ . 1 . 2]" 1
811 1 73 LEU MD2 1 82 GLU HB3 1.800 . 5.000 3.743 2.893 4.207 . 0 0 "[ . 1 . 2]" 1
812 1 73 LEU MD2 1 82 GLU HB2 1.800 . 5.000 2.935 2.255 4.185 . 0 0 "[ . 1 . 2]" 1
813 1 73 LEU MD2 1 82 GLU QG 1.800 . 5.000 2.244 1.797 3.314 0.003 5 0 "[ . 1 . 2]" 1
814 1 73 LEU MD2 1 82 GLU H 1.800 . 5.000 4.138 3.766 4.453 . 0 0 "[ . 1 . 2]" 1
815 1 73 LEU MD2 1 83 ASN H 1.800 . 5.000 3.834 3.211 4.690 . 0 0 "[ . 1 . 2]" 1
816 1 73 LEU H 1 74 THR H 1.800 . 5.000 4.285 4.163 4.467 . 0 0 "[ . 1 . 2]" 1
817 1 74 THR HA 1 75 TYR H 1.800 . 2.900 2.142 2.106 2.194 . 0 0 "[ . 1 . 2]" 1
818 1 74 THR HB 1 81 GLN QB 1.800 . 5.000 3.554 2.449 4.047 . 0 0 "[ . 1 . 2]" 1
819 1 74 THR HB 1 81 GLN H 1.800 . 5.000 4.221 3.446 4.785 . 0 0 "[ . 1 . 2]" 1
820 1 74 THR MG 1 81 GLN HB3 1.800 . 5.000 4.275 3.595 5.013 0.013 8 0 "[ . 1 . 2]" 1
821 1 74 THR MG 1 81 GLN HB2 1.800 . 5.000 4.541 3.897 5.018 0.018 19 0 "[ . 1 . 2]" 1
822 1 74 THR MG 1 81 GLN H 1.800 . 5.000 4.816 4.531 5.009 0.009 4 0 "[ . 1 . 2]" 1
823 1 74 THR H 1 80 ALA MB 1.800 . 5.000 4.496 3.883 4.916 . 0 0 "[ . 1 . 2]" 1
824 1 74 THR H 1 81 GLN HB3 1.800 . 5.000 3.858 3.040 4.743 . 0 0 "[ . 1 . 2]" 1
825 1 74 THR H 1 81 GLN HB2 1.800 . 5.000 4.176 2.883 5.005 0.005 12 0 "[ . 1 . 2]" 1
826 1 74 THR H 1 81 GLN H 1.800 . 4.000 3.296 2.949 3.670 . 0 0 "[ . 1 . 2]" 1
827 1 74 THR H 1 82 GLU HA 1.800 . 4.000 3.630 3.210 4.001 0.001 19 0 "[ . 1 . 2]" 1
828 1 75 TYR HA 1 76 THR H 1.800 . 2.900 2.161 2.062 2.205 . 0 0 "[ . 1 . 2]" 1
829 1 75 TYR HA 1 80 ALA HA 1.800 . 3.000 2.425 2.027 2.797 . 0 0 "[ . 1 . 2]" 1
830 1 75 TYR HA 1 80 ALA MB 1.800 . 5.000 3.154 2.687 3.663 . 0 0 "[ . 1 . 2]" 1
831 1 75 TYR QD 1 80 ALA HA 1.800 . 5.000 3.794 2.881 4.510 . 0 0 "[ . 1 . 2]" 1
832 1 75 TYR QD 1 80 ALA MB 1.800 . 5.000 2.460 1.798 3.573 0.002 3 0 "[ . 1 . 2]" 1
833 1 75 TYR QE 1 80 ALA MB 1.800 . 5.000 3.179 2.521 5.010 0.010 19 0 "[ . 1 . 2]" 1
834 1 75 TYR H 1 76 THR H 1.800 . 5.000 4.300 4.067 4.501 . 0 0 "[ . 1 . 2]" 1
835 1 76 THR HA 1 77 ASP H 1.800 . 3.500 3.294 2.292 3.523 0.023 13 0 "[ . 1 . 2]" 1
836 1 76 THR MG 1 79 TYR QD 1.800 . 5.000 4.176 3.533 4.927 . 0 0 "[ . 1 . 2]" 1
837 1 76 THR MG 1 79 TYR QE 1.800 . 5.000 3.096 2.485 4.118 . 0 0 "[ . 1 . 2]" 1
838 1 76 THR H 1 77 ASP H 1.800 . 5.000 3.004 2.123 4.530 . 0 0 "[ . 1 . 2]" 1
839 1 76 THR H 1 78 THR H 1.800 . 5.000 4.699 3.970 5.010 0.010 12 0 "[ . 1 . 2]" 1
840 1 76 THR H 1 79 TYR QD 1.800 . 5.000 4.538 4.115 5.005 0.005 10 0 "[ . 1 . 2]" 1
841 1 76 THR H 1 79 TYR H 1.800 . 4.000 3.725 3.424 4.003 0.003 9 0 "[ . 1 . 2]" 1
842 1 76 THR H 1 80 ALA HA 1.800 . 4.000 3.187 2.678 4.001 0.001 1 0 "[ . 1 . 2]" 1
843 1 77 ASP H 1 78 THR H 1.800 . 3.500 2.501 1.799 3.516 0.016 20 0 "[ . 1 . 2]" 1
844 1 77 ASP H 1 79 TYR H 1.800 . 5.000 2.817 2.207 4.632 . 0 0 "[ . 1 . 2]" 1
845 1 78 THR H 1 79 TYR H 1.800 . 3.500 2.191 1.875 2.351 . 0 0 "[ . 1 . 2]" 1
846 1 79 TYR HA 1 80 ALA H 1.800 . 3.500 2.310 2.181 2.451 . 0 0 "[ . 1 . 2]" 1
847 1 79 TYR H 1 80 ALA H 1.800 . 5.000 4.344 4.277 4.401 . 0 0 "[ . 1 . 2]" 1
848 1 80 ALA HA 1 81 GLN H 1.800 . 3.500 2.162 2.135 2.223 . 0 0 "[ . 1 . 2]" 1
849 1 81 GLN HA 1 82 GLU H 1.800 . 3.500 2.135 2.063 2.215 . 0 0 "[ . 1 . 2]" 1
850 1 82 GLU HA 1 83 ASN H 1.800 . 3.500 2.238 2.135 2.318 . 0 0 "[ . 1 . 2]" 1
851 1 82 GLU HB3 1 84 VAL MG2 1.800 . 5.000 3.385 2.220 4.052 . 0 0 "[ . 1 . 2]" 1
852 1 82 GLU HB2 1 84 VAL MG2 1.800 . 5.000 4.080 2.774 4.531 . 0 0 "[ . 1 . 2]" 1
853 1 82 GLU QG 1 84 VAL MG2 1.800 . 5.000 2.319 1.796 4.202 0.004 9 0 "[ . 1 . 2]" 1
854 1 83 ASN HA 1 84 VAL H 1.800 . 3.500 2.184 2.146 2.254 . 0 0 "[ . 1 . 2]" 1
855 1 83 ASN H 1 84 VAL H 1.800 . 5.000 4.220 4.100 4.322 . 0 0 "[ . 1 . 2]" 1
856 1 84 VAL HA 1 85 THR H 1.800 . 3.500 2.168 2.134 2.271 . 0 0 "[ . 1 . 2]" 1
857 1 84 VAL MG1 1 86 ILE MD 1.800 . 5.000 2.636 1.998 2.946 . 0 0 "[ . 1 . 2]" 1
858 1 84 VAL MG1 1 86 ILE HG13 1.800 . 5.000 2.194 1.943 2.527 . 0 0 "[ . 1 . 2]" 1
859 1 84 VAL MG1 1 86 ILE HG12 1.800 . 5.000 2.731 2.407 3.518 . 0 0 "[ . 1 . 2]" 1
860 1 84 VAL H 1 85 THR H 1.800 . 5.000 4.368 4.155 4.532 . 0 0 "[ . 1 . 2]" 1
861 1 85 THR HA 1 86 ILE H 1.800 . 3.500 2.170 2.133 2.227 . 0 0 "[ . 1 . 2]" 1
862 1 86 ILE HA 1 87 ASP H 1.800 . 3.500 2.177 2.124 2.238 . 0 0 "[ . 1 . 2]" 1
863 1 86 ILE MG 1 88 MET HA 1.800 . 5.000 3.463 3.155 4.262 . 0 0 "[ . 1 . 2]" 1
864 1 86 ILE MG 1 88 MET ME 1.800 . 5.000 3.250 2.040 4.678 . 0 0 "[ . 1 . 2]" 1
865 1 86 ILE MG 1 88 MET HG3 1.800 . 5.000 3.722 2.955 4.999 . 0 0 "[ . 1 . 2]" 1
866 1 86 ILE MG 1 88 MET HG2 1.800 . 5.000 3.068 2.525 3.658 . 0 0 "[ . 1 . 2]" 1
867 1 86 ILE MG 1 91 VAL HB 1.800 . 5.000 4.236 2.699 4.933 . 0 0 "[ . 1 . 2]" 1
868 1 86 ILE MG 1 91 VAL MG1 1.800 . 5.000 2.390 1.859 3.303 . 0 0 "[ . 1 . 2]" 1
869 1 86 ILE MG 1 96 LEU MD1 1.800 . 5.000 2.985 2.210 3.444 . 0 0 "[ . 1 . 2]" 1
870 1 86 ILE H 1 87 ASP H 1.800 . 5.000 4.281 4.031 4.506 . 0 0 "[ . 1 . 2]" 1
871 1 87 ASP HA 1 88 MET H 1.800 . 3.500 2.159 2.109 2.426 . 0 0 "[ . 1 . 2]" 1
872 1 87 ASP HA 1 89 GLU H 1.800 . 5.000 3.643 3.343 3.990 . 0 0 "[ . 1 . 2]" 1
873 1 87 ASP QB 1 90 LYS HB3 1.800 . 5.000 3.936 3.265 5.000 0.000 5 0 "[ . 1 . 2]" 1
874 1 87 ASP QB 1 90 LYS HB2 1.800 . 5.000 4.595 3.418 5.013 0.013 2 0 "[ . 1 . 2]" 1
875 1 88 MET HA 1 91 VAL MG1 1.800 . 5.000 2.352 1.792 3.876 0.008 8 0 "[ . 1 . 2]" 1
876 1 88 MET ME 1 113 ILE MD 1.800 . 5.000 4.070 3.400 4.823 . 0 0 "[ . 1 . 2]" 1
877 1 88 MET ME 1 113 ILE HG13 1.800 . 5.000 3.213 2.111 4.384 . 0 0 "[ . 1 . 2]" 1
878 1 88 MET ME 1 113 ILE HG12 1.800 . 5.000 4.021 3.147 4.962 . 0 0 "[ . 1 . 2]" 1
879 1 88 MET ME 1 113 ILE MG 1.800 . 5.000 2.272 1.800 3.073 0.000 19 0 "[ . 1 . 2]" 1
880 1 88 MET ME 1 91 VAL MG1 1.800 . 5.000 3.888 3.050 5.011 0.011 9 0 "[ . 1 . 2]" 1
881 1 88 MET ME 1 93 PHE QE 1.800 . 5.000 4.236 2.932 5.008 0.008 17 0 "[ . 1 . 2]" 1
882 1 88 MET ME 1 93 PHE HZ 1.800 . 5.000 4.487 3.416 5.009 0.009 14 0 "[ . 1 . 2]" 1
883 1 88 MET ME 1 96 LEU MD1 1.800 . 5.000 4.476 3.077 5.004 0.004 13 0 "[ . 1 . 2]" 1
884 1 88 MET QG 1 91 VAL MG1 1.800 . 5.000 3.323 2.240 4.742 . 0 0 "[ . 1 . 2]" 1
885 1 88 MET H 1 89 GLU H 1.800 . 5.000 2.585 2.082 2.840 . 0 0 "[ . 1 . 2]" 1
886 1 88 MET H 1 90 LYS H 1.800 . 5.000 4.404 3.856 4.619 . 0 0 "[ . 1 . 2]" 1
887 1 89 GLU H 1 90 LYS H 1.800 . 3.500 2.173 1.889 2.469 . 0 0 "[ . 1 . 2]" 1
888 1 89 GLU H 1 91 VAL QG 1.800 . 5.000 3.495 2.777 4.173 . 0 0 "[ . 1 . 2]" 1
889 1 89 GLU H 1 91 VAL H 1.800 . 5.000 3.621 3.028 5.007 0.007 18 0 "[ . 1 . 2]" 1
890 1 90 LYS H 1 91 VAL H 1.800 . 3.500 2.221 1.796 3.291 0.004 10 0 "[ . 1 . 2]" 1
891 1 91 VAL HA 1 92 ASP H 1.800 . 3.500 2.215 2.107 2.658 . 0 0 "[ . 1 . 2]" 1
892 1 91 VAL HB 1 96 LEU MD1 1.800 . 5.000 3.329 2.176 4.620 . 0 0 "[ . 1 . 2]" 1
893 1 91 VAL MG1 1 93 PHE HA 1.800 . 5.000 4.679 2.925 5.020 0.020 9 0 "[ . 1 . 2]" 1
894 1 91 VAL MG1 1 93 PHE QD 1.800 . 5.000 4.426 3.435 4.984 . 0 0 "[ . 1 . 2]" 1
895 1 91 VAL MG1 1 93 PHE QE 1.800 . 5.000 3.844 2.816 4.481 . 0 0 "[ . 1 . 2]" 1
896 1 91 VAL MG1 1 96 LEU QB 1.800 . 5.000 4.201 2.795 5.008 0.008 4 0 "[ . 1 . 2]" 1
897 1 91 VAL MG1 1 96 LEU MD1 1.800 . 5.000 2.501 1.971 3.160 . 0 0 "[ . 1 . 2]" 1
898 1 91 VAL MG1 1 96 LEU HG 1.800 . 5.000 4.582 3.946 5.014 0.014 14 0 "[ . 1 . 2]" 1
899 1 91 VAL MG2 1 93 PHE QB 1.800 . 5.000 4.982 4.818 5.027 0.027 18 0 "[ . 1 . 2]" 1
900 1 91 VAL MG2 1 93 PHE QD 1.800 . 5.000 3.733 3.171 4.382 . 0 0 "[ . 1 . 2]" 1
901 1 91 VAL MG2 1 93 PHE QE 1.800 . 5.000 2.849 1.966 4.432 . 0 0 "[ . 1 . 2]" 1
902 1 91 VAL MG2 1 93 PHE HZ 1.800 . 5.000 3.102 2.319 5.001 0.001 4 0 "[ . 1 . 2]" 1
903 1 91 VAL H 1 92 ASP H 1.800 . 5.000 4.530 4.296 4.618 . 0 0 "[ . 1 . 2]" 1
904 1 92 ASP HA 1 93 PHE H 1.800 . 3.500 2.162 2.102 2.247 . 0 0 "[ . 1 . 2]" 1
905 1 92 ASP HA 1 94 LYS H 1.800 . 5.000 3.472 3.193 3.887 . 0 0 "[ . 1 . 2]" 1
906 1 92 ASP QB 1 95 ALA MB 1.800 . 5.000 2.834 2.135 4.036 . 0 0 "[ . 1 . 2]" 1
907 1 92 ASP H 1 95 ALA MB 1.800 . 5.000 4.519 3.611 5.004 0.004 6 0 "[ . 1 . 2]" 1
908 1 93 PHE HA 1 96 LEU HB3 1.800 . 5.000 2.698 1.791 3.858 0.009 20 0 "[ . 1 . 2]" 1
909 1 93 PHE HA 1 96 LEU HB2 1.800 . 5.000 2.249 1.795 3.334 0.005 8 0 "[ . 1 . 2]" 1
910 1 93 PHE HA 1 96 LEU MD1 1.800 . 5.000 3.113 2.181 3.723 . 0 0 "[ . 1 . 2]" 1
911 1 93 PHE HA 1 96 LEU HG 1.800 . 5.000 4.065 2.507 4.960 . 0 0 "[ . 1 . 2]" 1
912 1 93 PHE HA 1 96 LEU H 1.800 . 5.000 3.059 2.687 3.521 . 0 0 "[ . 1 . 2]" 1
913 1 93 PHE QB 1 109 ALA MB 1.800 . 5.000 4.212 2.282 5.017 0.017 8 0 "[ . 1 . 2]" 1
914 1 93 PHE QB 1 96 LEU MD1 1.800 . 5.000 4.489 3.459 5.029 0.029 14 0 "[ . 1 . 2]" 1
915 1 93 PHE QD 1 109 ALA MB 1.800 . 5.000 3.214 1.909 4.166 . 0 0 "[ . 1 . 2]" 1
916 1 93 PHE QD 1 110 LYS HA 1.800 . 5.000 4.346 3.238 5.009 0.009 9 0 "[ . 1 . 2]" 1
917 1 93 PHE QD 1 96 LEU MD1 1.800 . 5.000 3.377 2.252 4.614 . 0 0 "[ . 1 . 2]" 1
918 1 93 PHE QE 1 109 ALA HA 1.800 . 5.000 3.845 2.975 4.709 . 0 0 "[ . 1 . 2]" 1
919 1 93 PHE QE 1 109 ALA MB 1.800 . 5.000 3.823 2.621 5.004 0.004 9 0 "[ . 1 . 2]" 1
920 1 93 PHE QE 1 112 GLY H 1.800 . 5.000 4.805 3.953 5.006 0.006 17 0 "[ . 1 . 2]" 1
921 1 93 PHE QE 1 113 ILE HB 1.800 . 5.000 3.806 2.631 4.798 . 0 0 "[ . 1 . 2]" 1
922 1 93 PHE QE 1 113 ILE MD 1.800 . 5.000 3.822 2.121 4.693 . 0 0 "[ . 1 . 2]" 1
923 1 93 PHE QE 1 113 ILE QG 1.800 . 5.000 2.800 1.813 4.134 . 0 0 "[ . 1 . 2]" 1
924 1 93 PHE QE 1 96 LEU MD1 1.800 . 5.000 3.802 2.737 4.971 . 0 0 "[ . 1 . 2]" 1
925 1 93 PHE H 1 94 LYS H 1.800 . 5.000 2.580 2.419 2.762 . 0 0 "[ . 1 . 2]" 1
926 1 93 PHE H 1 95 ALA H 1.800 . 5.000 4.544 4.023 4.890 . 0 0 "[ . 1 . 2]" 1
927 1 93 PHE HZ 1 113 ILE HB 1.800 . 5.000 3.640 2.711 4.604 . 0 0 "[ . 1 . 2]" 1
928 1 93 PHE HZ 1 113 ILE QG 1.800 . 5.000 3.676 2.310 5.002 0.002 19 0 "[ . 1 . 2]" 1
929 1 94 LYS H 1 95 ALA H 1.800 . 3.500 2.607 2.351 2.884 . 0 0 "[ . 1 . 2]" 1
930 1 94 LYS H 1 96 LEU H 1.800 . 5.000 3.637 3.195 4.122 . 0 0 "[ . 1 . 2]" 1
931 1 95 ALA HA 1 98 GLY H 1.800 . 5.000 3.978 3.373 5.001 0.001 10 0 "[ . 1 . 2]" 1
932 1 96 LEU HA 1 99 ILE MD 1.800 . 5.000 2.913 1.826 4.299 . 0 0 "[ . 1 . 2]" 1
933 1 96 LEU HA 1 99 ILE HG13 1.800 . 5.000 3.211 2.161 5.001 0.001 6 0 "[ . 1 . 2]" 1
934 1 96 LEU HA 1 99 ILE HG12 1.800 . 5.000 3.808 2.068 5.009 0.009 6 0 "[ . 1 . 2]" 1
935 1 96 LEU HA 1 99 ILE MG 1.800 . 5.000 4.216 3.387 5.006 0.006 12 0 "[ . 1 . 2]" 1
936 1 96 LEU HA 1 99 ILE H 1.800 . 5.000 3.234 2.412 3.647 . 0 0 "[ . 1 . 2]" 1
937 1 96 LEU MD1 1 100 SER QB 1.800 . 5.000 4.434 3.163 5.013 0.013 19 0 "[ . 1 . 2]" 1
938 1 96 LEU MD1 1 102 ILE MD 1.800 . 5.000 4.337 2.608 5.011 0.011 10 0 "[ . 1 . 2]" 1
939 1 96 LEU MD1 1 109 ALA MB 1.800 . 5.000 4.403 3.249 5.008 0.008 16 0 "[ . 1 . 2]" 1
940 1 96 LEU MD1 1 99 ILE HB 1.800 . 5.000 4.851 4.046 5.006 0.006 6 0 "[ . 1 . 2]" 1
941 1 96 LEU H 1 97 GLN H 1.800 . 5.000 2.627 2.431 2.781 . 0 0 "[ . 1 . 2]" 1
942 1 97 GLN H 1 98 GLY H 1.800 . 5.000 2.731 2.545 3.034 . 0 0 "[ . 1 . 2]" 1
943 1 97 GLN H 1 99 ILE H 1.800 . 5.000 4.074 3.692 4.642 . 0 0 "[ . 1 . 2]" 1
944 1 98 GLY H 1 99 ILE H 1.800 . 5.000 2.405 2.021 2.668 . 0 0 "[ . 1 . 2]" 1
945 1 99 ILE HA 1 100 SER H 1.800 . 3.500 3.130 2.189 3.518 0.018 9 0 "[ . 1 . 2]" 1
946 1 99 ILE HA 1 101 GLY H 1.800 . 5.000 4.650 3.595 5.014 0.014 15 0 "[ . 1 . 2]" 1
947 1 99 ILE H 1 100 SER H 1.800 . 5.000 2.708 1.930 4.427 . 0 0 "[ . 1 . 2]" 1
948 1 100 SER HA 1 101 GLY H 1.800 . 3.500 2.923 2.181 3.521 0.021 6 0 "[ . 1 . 2]" 1
949 1 100 SER HA 1 102 ILE H 1.800 . 5.000 3.642 2.902 4.492 . 0 0 "[ . 1 . 2]" 1
950 1 100 SER QB 1 102 ILE MD 1.800 . 5.000 3.419 2.045 5.013 0.013 15 0 "[ . 1 . 2]" 1
951 1 100 SER QB 1 102 ILE HG13 1.800 . 5.000 3.387 1.825 5.004 0.004 13 0 "[ . 1 . 2]" 1
952 1 100 SER QB 1 102 ILE HG12 1.800 . 5.000 4.529 3.112 5.010 0.010 3 0 "[ . 1 . 2]" 1
953 1 100 SER QB 1 102 ILE MG 1.800 . 5.000 4.612 4.033 5.010 0.010 11 0 "[ . 1 . 2]" 1
954 1 100 SER H 1 101 GLY H 1.800 . 5.000 3.308 1.800 4.252 0.000 15 0 "[ . 1 . 2]" 1
955 1 101 GLY HA3 1 102 ILE H 1.800 . 3.500 3.200 2.422 3.507 0.007 18 0 "[ . 1 . 2]" 1
956 1 101 GLY HA2 1 102 ILE H 1.800 . 3.500 3.227 2.729 3.515 0.015 1 0 "[ . 1 . 2]" 1
957 1 101 GLY H 1 102 ILE H 1.800 . 5.000 2.712 2.386 3.750 . 0 0 "[ . 1 . 2]" 1
958 1 102 ILE HA 1 103 ASN H 1.800 . 2.900 2.277 2.162 2.738 . 0 0 "[ . 1 . 2]" 1
959 1 102 ILE MG 1 104 VAL HB 1.800 . 5.000 2.991 2.093 4.804 . 0 0 "[ . 1 . 2]" 1
960 1 102 ILE MG 1 121 VAL MG1 1.800 . 5.000 3.380 2.472 3.919 . 0 0 "[ . 1 . 2]" 1
961 1 102 ILE MG 1 121 VAL MG2 1.800 . 5.000 4.822 4.113 5.013 0.013 6 0 "[ . 1 . 2]" 1
962 1 102 ILE H 1 103 ASN H 1.800 . 5.000 3.986 2.706 4.535 . 0 0 "[ . 1 . 2]" 1
963 1 103 ASN HA 1 104 VAL H 1.800 . 2.900 2.579 2.175 2.918 0.018 11 0 "[ . 1 . 2]" 1
964 1 103 ASN H 1 104 VAL H 1.800 . 5.000 3.466 2.752 4.314 . 0 0 "[ . 1 . 2]" 1
965 1 104 VAL HA 1 105 SER H 1.800 . 3.500 3.289 2.243 3.525 0.025 5 0 "[ . 1 . 2]" 1
966 1 104 VAL HB 1 121 VAL QG 1.800 . 5.000 2.903 1.931 3.596 . 0 0 "[ . 1 . 2]" 1
967 1 104 VAL HB 1 122 MET ME 1.800 . 5.000 4.773 4.147 5.008 0.008 16 0 "[ . 1 . 2]" 1
968 1 104 VAL H 1 105 SER H 1.800 . 5.000 2.796 1.897 4.436 . 0 0 "[ . 1 . 2]" 1
969 1 105 SER HA 1 107 GLU H 1.800 . 5.000 3.741 3.359 4.370 . 0 0 "[ . 1 . 2]" 1
970 1 105 SER H 1 108 ASP HB3 1.800 . 5.000 4.421 3.005 5.017 0.017 16 0 "[ . 1 . 2]" 1
971 1 105 SER H 1 108 ASP HB2 1.800 . 5.000 4.312 3.188 5.007 0.007 20 0 "[ . 1 . 2]" 1
972 1 106 ALA HA 1 108 ASP H 1.800 . 5.000 3.815 3.313 4.204 . 0 0 "[ . 1 . 2]" 1
973 1 106 ALA HA 1 109 ALA MB 1.800 . 5.000 3.469 2.398 5.006 0.006 10 0 "[ . 1 . 2]" 1
974 1 106 ALA HA 1 109 ALA H 1.800 . 5.000 3.687 3.004 5.003 0.003 10 0 "[ . 1 . 2]" 1
975 1 106 ALA MB 1 110 LYS QE 1.800 . 5.000 2.855 1.772 4.076 0.028 7 0 "[ . 1 . 2]" 1
976 1 106 ALA MB 1 110 LYS QG 1.800 . 5.000 3.585 2.538 4.368 . 0 0 "[ . 1 . 2]" 1
977 1 106 ALA H 1 107 GLU H 1.800 . 3.500 2.485 2.096 2.848 . 0 0 "[ . 1 . 2]" 1
978 1 106 ALA H 1 108 ASP H 1.800 . 5.000 4.151 3.828 4.560 . 0 0 "[ . 1 . 2]" 1
979 1 107 GLU HA 1 110 LYS QB 1.800 . 5.000 3.048 2.340 4.705 . 0 0 "[ . 1 . 2]" 1
980 1 107 GLU HA 1 110 LYS H 1.800 . 5.000 3.633 2.935 4.997 . 0 0 "[ . 1 . 2]" 1
981 1 107 GLU H 1 108 ASP H 1.800 . 3.500 2.583 2.137 2.853 . 0 0 "[ . 1 . 2]" 1
982 1 107 GLU H 1 109 ALA H 1.800 . 5.000 4.452 4.011 5.003 0.003 4 0 "[ . 1 . 2]" 1
983 1 108 ASP HA 1 110 LYS H 1.800 . 5.000 4.271 3.644 4.939 . 0 0 "[ . 1 . 2]" 1
984 1 108 ASP HA 1 111 LYS H 1.800 . 5.000 3.669 3.143 4.422 . 0 0 "[ . 1 . 2]" 1
985 1 108 ASP HB3 1 121 VAL MG1 1.800 . 5.000 4.138 3.062 4.748 . 0 0 "[ . 1 . 2]" 1
986 1 108 ASP HB2 1 121 VAL MG1 1.800 . 5.000 4.278 3.044 5.020 0.020 14 0 "[ . 1 . 2]" 1
987 1 108 ASP H 1 109 ALA H 1.800 . 3.500 2.563 2.334 3.001 . 0 0 "[ . 1 . 2]" 1
988 1 108 ASP H 1 110 LYS H 1.800 . 5.000 3.802 3.181 4.541 . 0 0 "[ . 1 . 2]" 1
989 1 108 ASP H 1 113 ILE MD 1.800 . 5.000 4.989 4.724 5.024 0.024 7 0 "[ . 1 . 2]" 1
990 1 109 ALA HA 1 111 LYS H 1.800 . 5.000 4.056 3.505 4.647 . 0 0 "[ . 1 . 2]" 1
991 1 109 ALA HA 1 113 ILE MD 1.800 . 5.000 2.066 1.793 3.350 0.007 7 0 "[ . 1 . 2]" 1
992 1 109 ALA HA 1 113 ILE HG13 1.800 . 5.000 3.746 3.133 4.603 . 0 0 "[ . 1 . 2]" 1
993 1 109 ALA HA 1 113 ILE HG12 1.800 . 5.000 2.924 2.240 4.499 . 0 0 "[ . 1 . 2]" 1
994 1 109 ALA MB 1 113 ILE MD 1.800 . 5.000 2.829 2.274 4.098 . 0 0 "[ . 1 . 2]" 1
995 1 109 ALA H 1 110 LYS H 1.800 . 3.500 2.591 2.438 2.867 . 0 0 "[ . 1 . 2]" 1
996 1 109 ALA H 1 111 LYS H 1.800 . 5.000 4.057 3.596 4.340 . 0 0 "[ . 1 . 2]" 1
997 1 110 LYS HA 1 112 GLY H 1.800 . 5.000 4.268 3.441 5.002 0.002 11 0 "[ . 1 . 2]" 1
998 1 112 GLY HA3 1 113 ILE H 1.800 . 3.500 3.231 2.838 3.428 . 0 0 "[ . 1 . 2]" 1
999 1 112 GLY HA2 1 113 ILE H 1.800 . 3.500 2.165 2.127 2.352 . 0 0 "[ . 1 . 2]" 1
1000 1 112 GLY H 1 113 ILE H 1.800 . 5.000 3.664 3.173 4.337 . 0 0 "[ . 1 . 2]" 1
1001 1 113 ILE HA 1 114 THR H 1.800 . 2.900 2.119 2.071 2.156 . 0 0 "[ . 1 . 2]" 1
1002 1 113 ILE MD 1 118 MET ME 1.800 . 5.000 2.680 1.798 3.763 0.002 2 0 "[ . 1 . 2]" 1
1003 1 113 ILE MD 1 121 VAL MG1 1.800 . 5.000 4.332 3.286 4.963 . 0 0 "[ . 1 . 2]" 1
1004 1 113 ILE MD 1 121 VAL MG2 1.800 . 5.000 4.449 3.525 5.011 0.011 19 0 "[ . 1 . 2]" 1
1005 1 113 ILE MG 1 115 MET HA 1.800 . 5.000 4.531 3.899 5.007 0.007 17 0 "[ . 1 . 2]" 1
1006 1 113 ILE MG 1 117 GLN HB3 1.800 . 5.000 3.598 2.207 4.453 . 0 0 "[ . 1 . 2]" 1
1007 1 113 ILE MG 1 117 GLN HB2 1.800 . 5.000 3.535 2.384 4.392 . 0 0 "[ . 1 . 2]" 1
1008 1 113 ILE MG 1 117 GLN QG 1.800 . 5.000 4.372 2.613 5.010 0.010 1 0 "[ . 1 . 2]" 1
1009 1 113 ILE MG 1 118 MET HB3 1.800 . 5.000 4.625 3.552 5.018 0.018 5 0 "[ . 1 . 2]" 1
1010 1 113 ILE MG 1 118 MET HB2 1.800 . 5.000 3.818 2.241 4.528 . 0 0 "[ . 1 . 2]" 1
1011 1 113 ILE MG 1 118 MET HG3 1.800 . 5.000 3.677 2.827 4.901 . 0 0 "[ . 1 . 2]" 1
1012 1 113 ILE MG 1 118 MET HG2 1.800 . 5.000 3.035 1.956 4.817 . 0 0 "[ . 1 . 2]" 1
1013 1 113 ILE MG 1 118 MET H 1.800 . 5.000 3.514 2.771 4.052 . 0 0 "[ . 1 . 2]" 1
1014 1 113 ILE H 1 114 THR H 1.800 . 5.000 4.396 4.261 4.529 . 0 0 "[ . 1 . 2]" 1
1015 1 114 THR HA 1 115 MET H 1.800 . 3.500 2.596 2.340 2.786 . 0 0 "[ . 1 . 2]" 1
1016 1 114 THR HA 1 116 ALA H 1.800 . 5.000 4.586 4.231 5.003 0.003 17 0 "[ . 1 . 2]" 1
1017 1 114 THR MG 1 117 GLN QE 1.800 . 5.000 3.790 2.558 5.008 0.008 12 0 "[ . 1 . 2]" 1
1018 1 114 THR MG 1 117 GLN QG 1.800 . 5.000 4.537 3.945 5.007 0.007 9 0 "[ . 1 . 2]" 1
1019 1 114 THR H 1 117 GLN HB3 1.800 . 5.000 3.416 2.485 4.199 . 0 0 "[ . 1 . 2]" 1
1020 1 114 THR H 1 117 GLN HB2 1.800 . 5.000 2.138 1.795 2.762 0.005 7 0 "[ . 1 . 2]" 1
1021 1 114 THR H 1 118 MET ME 1.800 . 5.000 4.946 4.437 5.013 0.013 6 0 "[ . 1 . 2]" 1
1022 1 115 MET HA 1 118 MET HB3 1.800 . 5.000 3.942 2.620 5.001 0.001 17 0 "[ . 1 . 2]" 1
1023 1 115 MET HA 1 118 MET HB2 1.800 . 5.000 2.939 2.180 4.100 . 0 0 "[ . 1 . 2]" 1
1024 1 115 MET ME 1 119 GLU HA 1.800 . 5.000 4.099 3.314 5.011 0.011 15 0 "[ . 1 . 2]" 1
1025 1 115 MET ME 1 119 GLU HG3 1.800 . 5.000 3.335 2.620 4.990 . 0 0 "[ . 1 . 2]" 1
1026 1 115 MET ME 1 119 GLU HG2 1.800 . 5.000 2.570 1.798 4.070 0.002 8 0 "[ . 1 . 2]" 1
1027 1 115 MET H 1 116 ALA H 1.800 . 5.000 2.583 2.404 2.885 . 0 0 "[ . 1 . 2]" 1
1028 1 116 ALA HA 1 119 GLU QB 1.800 . 5.000 2.896 2.127 3.459 . 0 0 "[ . 1 . 2]" 1
1029 1 116 ALA HA 1 119 GLU HG3 1.800 . 5.000 3.848 2.820 5.008 0.008 11 0 "[ . 1 . 2]" 1
1030 1 116 ALA HA 1 119 GLU HG2 1.800 . 5.000 4.222 3.382 5.008 0.008 17 0 "[ . 1 . 2]" 1
1031 1 116 ALA HA 1 119 GLU H 1.800 . 5.000 3.809 3.347 4.072 . 0 0 "[ . 1 . 2]" 1
1032 1 116 ALA HA 1 120 LEU H 1.800 . 5.000 4.121 3.690 4.371 . 0 0 "[ . 1 . 2]" 1
1033 1 116 ALA H 1 117 GLN H 1.800 . 5.000 2.768 2.619 2.882 . 0 0 "[ . 1 . 2]" 1
1034 1 117 GLN HA 1 120 LEU HB3 1.800 . 5.000 4.860 3.506 5.015 0.015 7 0 "[ . 1 . 2]" 1
1035 1 117 GLN HA 1 120 LEU HB2 1.800 . 5.000 3.509 3.284 4.516 . 0 0 "[ . 1 . 2]" 1
1036 1 117 GLN HA 1 120 LEU MD1 1.800 . 5.000 4.055 3.541 4.834 . 0 0 "[ . 1 . 2]" 1
1037 1 117 GLN HA 1 120 LEU H 1.800 . 5.000 3.902 3.700 4.085 . 0 0 "[ . 1 . 2]" 1
1038 1 117 GLN HA 1 121 VAL MG1 1.800 . 5.000 5.017 4.991 5.031 0.031 11 0 "[ . 1 . 2]" 1
1039 1 117 GLN HA 1 121 VAL MG2 1.800 . 5.000 2.851 2.566 3.359 . 0 0 "[ . 1 . 2]" 1
1040 1 117 GLN HA 1 121 VAL H 1.800 . 5.000 3.822 3.416 3.983 . 0 0 "[ . 1 . 2]" 1
1041 1 117 GLN QG 1 121 VAL MG1 1.800 . 5.000 4.758 3.861 5.029 0.029 18 0 "[ . 1 . 2]" 1
1042 1 117 GLN QG 1 121 VAL MG2 1.800 . 5.000 3.037 2.359 3.548 . 0 0 "[ . 1 . 2]" 1
1043 1 117 GLN H 1 118 MET H 1.800 . 5.000 2.978 2.877 3.117 . 0 0 "[ . 1 . 2]" 1
1044 1 117 GLN H 1 119 GLU H 1.800 . 5.000 4.265 3.884 4.589 . 0 0 "[ . 1 . 2]" 1
1045 1 118 MET HA 1 121 VAL HB 1.800 . 5.000 2.623 2.343 3.045 . 0 0 "[ . 1 . 2]" 1
1046 1 118 MET HA 1 121 VAL MG1 1.800 . 5.000 3.337 3.143 3.599 . 0 0 "[ . 1 . 2]" 1
1047 1 118 MET HA 1 121 VAL MG2 1.800 . 5.000 3.960 3.704 4.440 . 0 0 "[ . 1 . 2]" 1
1048 1 118 MET HA 1 121 VAL H 1.800 . 5.000 3.763 3.384 4.065 . 0 0 "[ . 1 . 2]" 1
1049 1 118 MET HA 1 122 MET H 1.800 . 5.000 3.429 2.711 3.710 . 0 0 "[ . 1 . 2]" 1
1050 1 118 MET ME 1 121 VAL MG1 1.800 . 5.000 3.727 2.595 4.473 . 0 0 "[ . 1 . 2]" 1
1051 1 118 MET ME 1 121 VAL MG2 1.800 . 5.000 4.762 3.711 5.015 0.015 14 0 "[ . 1 . 2]" 1
1052 1 118 MET ME 1 122 MET ME 1.800 . 5.000 2.759 1.960 3.634 . 0 0 "[ . 1 . 2]" 1
1053 1 118 MET QG 1 121 VAL QG 1.800 . 5.000 4.388 3.895 4.791 . 0 0 "[ . 1 . 2]" 1
1054 1 118 MET H 1 119 GLU H 1.800 . 5.000 3.012 2.848 3.185 . 0 0 "[ . 1 . 2]" 1
1055 1 118 MET H 1 120 LEU H 1.800 . 5.000 4.815 4.709 4.952 . 0 0 "[ . 1 . 2]" 1
1056 1 118 MET H 1 121 VAL MG1 1.800 . 5.000 5.015 5.009 5.023 0.023 6 0 "[ . 1 . 2]" 1
1057 1 118 MET H 1 121 VAL MG2 1.800 . 5.000 4.459 4.096 5.007 0.007 4 0 "[ . 1 . 2]" 1
1058 1 119 GLU HA 1 122 MET HB3 1.800 . 5.000 4.956 4.642 5.017 0.017 16 0 "[ . 1 . 2]" 1
1059 1 119 GLU HA 1 122 MET HB2 1.800 . 5.000 3.554 3.250 4.030 . 0 0 "[ . 1 . 2]" 1
1060 1 119 GLU HA 1 122 MET H 1.800 . 5.000 4.018 3.848 4.219 . 0 0 "[ . 1 . 2]" 1
1061 1 119 GLU HA 1 123 LYS H 1.800 . 5.000 4.275 3.979 4.467 . 0 0 "[ . 1 . 2]" 1
1062 1 119 GLU H 1 120 LEU H 1.800 . 5.000 2.921 2.831 3.027 . 0 0 "[ . 1 . 2]" 1
1063 1 119 GLU H 1 121 VAL H 1.800 . 5.000 3.974 3.796 4.285 . 0 0 "[ . 1 . 2]" 1
1064 1 120 LEU HA 1 123 LYS QB 1.800 . 5.000 2.784 2.162 3.449 . 0 0 "[ . 1 . 2]" 1
1065 1 120 LEU HA 1 123 LYS H 1.800 . 5.000 3.760 3.388 4.287 . 0 0 "[ . 1 . 2]" 1
1066 1 120 LEU HA 1 124 ALA H 1.800 . 5.000 4.268 4.088 4.517 . 0 0 "[ . 1 . 2]" 1
1067 1 120 LEU QD 1 123 LYS QD 1.800 . 5.000 3.866 2.383 5.001 0.001 18 0 "[ . 1 . 2]" 1
1068 1 120 LEU H 1 121 VAL H 1.800 . 3.500 2.528 2.394 2.681 . 0 0 "[ . 1 . 2]" 1
1069 1 120 LEU H 1 122 MET H 1.800 . 5.000 4.333 4.227 4.510 . 0 0 "[ . 1 . 2]" 1
1070 1 121 VAL HA 1 124 ALA MB 1.800 . 5.000 2.427 2.207 2.971 . 0 0 "[ . 1 . 2]" 1
1071 1 121 VAL HA 1 124 ALA H 1.800 . 5.000 3.293 3.095 3.503 . 0 0 "[ . 1 . 2]" 1
1072 1 121 VAL MG1 1 124 ALA MB 1.800 . 5.000 3.601 3.374 3.843 . 0 0 "[ . 1 . 2]" 1
1073 1 121 VAL MG1 1 125 ALA MB 1.800 . 5.000 3.766 3.127 4.211 . 0 0 "[ . 1 . 2]" 1
1074 1 121 VAL MG2 1 124 ALA MB 1.800 . 5.000 3.692 3.395 4.227 . 0 0 "[ . 1 . 2]" 1
1075 1 121 VAL H 1 122 MET H 1.800 . 5.000 2.577 2.420 2.899 . 0 0 "[ . 1 . 2]" 1
1076 1 122 MET HA 1 125 ALA MB 1.800 . 5.000 2.842 2.299 3.485 . 0 0 "[ . 1 . 2]" 1
1077 1 122 MET ME 1 125 ALA MB 1.800 . 5.000 4.007 3.332 4.307 . 0 0 "[ . 1 . 2]" 1
1078 1 122 MET ME 1 127 PHE QE 1.800 . 5.000 2.626 1.930 3.662 . 0 0 "[ . 1 . 2]" 1
1079 1 122 MET H 1 123 LYS H 1.800 . 5.000 2.546 2.431 2.611 . 0 0 "[ . 1 . 2]" 1
1080 1 123 LYS H 1 124 ALA H 1.800 . 3.500 2.519 2.416 2.693 . 0 0 "[ . 1 . 2]" 1
1081 1 124 ALA H 1 125 ALA H 1.800 . 3.500 2.591 2.392 2.762 . 0 0 "[ . 1 . 2]" 1
1082 1 124 ALA H 1 126 GLY H 1.800 . 5.000 3.831 3.663 3.974 . 0 0 "[ . 1 . 2]" 1
1083 1 125 ALA MB 1 127 PHE QD 1.800 . 5.000 2.842 2.614 3.134 . 0 0 "[ . 1 . 2]" 1
1084 1 125 ALA MB 1 127 PHE QE 1.800 . 5.000 2.695 2.597 2.898 . 0 0 "[ . 1 . 2]" 1
1085 1 125 ALA H 1 127 PHE QD 1.800 . 5.000 4.600 4.006 5.006 0.006 1 0 "[ . 1 . 2]" 1
1086 1 126 GLY H 1 127 PHE H 1.800 . 3.500 2.366 2.060 2.715 . 0 0 "[ . 1 . 2]" 1
1087 1 127 PHE HA 1 128 LYS H 1.800 . 3.500 2.326 2.174 2.616 . 0 0 "[ . 1 . 2]" 1
1088 1 127 PHE H 1 128 LYS H 1.800 . 5.000 4.569 4.492 4.612 . 0 0 "[ . 1 . 2]" 1
1089 1 128 LYS HA 1 129 GLU H 1.800 . 3.500 2.160 2.117 2.268 . 0 0 "[ . 1 . 2]" 1
1090 1 128 LYS H 1 129 GLU H 1.800 . 5.000 4.371 4.057 4.538 . 0 0 "[ . 1 . 2]" 1
1091 1 129 GLU HA 1 130 VAL H 1.800 . 3.500 2.166 2.089 2.254 . 0 0 "[ . 1 . 2]" 1
1092 1 129 GLU H 1 130 VAL H 1.800 . 5.000 4.511 4.158 4.597 . 0 0 "[ . 1 . 2]" 1
1093 1 130 VAL HA 1 131 LYS H 1.800 . 3.500 2.966 2.136 3.505 0.005 20 0 "[ . 1 . 2]" 1
1094 1 130 VAL H 1 131 LYS H 1.800 . 5.000 2.760 1.797 4.315 0.003 6 0 "[ . 1 . 2]" 1
1095 1 131 LYS HA 1 132 LEU H 1.800 . 3.500 2.553 2.093 3.473 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 72
_Distance_constraint_stats_list.Viol_count 253
_Distance_constraint_stats_list.Viol_total 28.818
_Distance_constraint_stats_list.Viol_max 0.032
_Distance_constraint_stats_list.Viol_rms 0.0030
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0057
_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 6 GLU 0.019 0.009 3 0 "[ . 1 . 2]"
1 8 LYS 0.036 0.009 12 0 "[ . 1 . 2]"
1 10 PHE 0.012 0.005 9 0 "[ . 1 . 2]"
1 12 ALA 0.009 0.006 1 0 "[ . 1 . 2]"
1 18 GLU 0.045 0.010 11 0 "[ . 1 . 2]"
1 19 ILE 0.009 0.006 1 0 "[ . 1 . 2]"
1 20 ALA 0.027 0.007 20 0 "[ . 1 . 2]"
1 21 ILE 0.012 0.005 9 0 "[ . 1 . 2]"
1 22 THR 0.139 0.016 1 0 "[ . 1 . 2]"
1 23 TYR 0.036 0.009 12 0 "[ . 1 . 2]"
1 24 VAL 0.074 0.012 11 0 "[ . 1 . 2]"
1 25 TYR 0.019 0.009 3 0 "[ . 1 . 2]"
1 32 LYS 0.074 0.012 11 0 "[ . 1 . 2]"
1 33 GLN 0.091 0.011 10 0 "[ . 1 . 2]"
1 34 SER 0.139 0.016 1 0 "[ . 1 . 2]"
1 35 SER 0.133 0.020 9 0 "[ . 1 . 2]"
1 36 GLU 0.027 0.007 20 0 "[ . 1 . 2]"
1 37 THR 0.028 0.008 7 0 "[ . 1 . 2]"
1 38 LYS 0.045 0.010 11 0 "[ . 1 . 2]"
1 39 ILE 0.044 0.007 8 0 "[ . 1 . 2]"
1 49 LYS 0.006 0.006 20 0 "[ . 1 . 2]"
1 50 GLU 0.017 0.006 19 0 "[ . 1 . 2]"
1 52 ALA 0.011 0.004 19 0 "[ . 1 . 2]"
1 53 ALA 0.050 0.008 4 0 "[ . 1 . 2]"
1 54 LYS 0.017 0.006 19 0 "[ . 1 . 2]"
1 56 LEU 0.011 0.004 19 0 "[ . 1 . 2]"
1 57 GLU 0.044 0.008 4 0 "[ . 1 . 2]"
1 70 GLU 0.013 0.008 8 0 "[ . 1 . 2]"
1 72 LYS 0.041 0.013 2 0 "[ . 1 . 2]"
1 74 THR 0.061 0.012 19 0 "[ . 1 . 2]"
1 80 ALA 0.044 0.007 8 0 "[ . 1 . 2]"
1 81 GLN 0.061 0.012 19 0 "[ . 1 . 2]"
1 82 GLU 0.028 0.008 7 0 "[ . 1 . 2]"
1 83 ASN 0.041 0.013 2 0 "[ . 1 . 2]"
1 84 VAL 0.133 0.020 9 0 "[ . 1 . 2]"
1 85 THR 0.013 0.008 8 0 "[ . 1 . 2]"
1 86 ILE 0.091 0.011 10 0 "[ . 1 . 2]"
1 116 ALA 0.072 0.018 18 0 "[ . 1 . 2]"
1 117 GLN 0.447 0.032 18 0 "[ . 1 . 2]"
1 118 MET 0.017 0.010 12 0 "[ . 1 . 2]"
1 119 GLU 0.037 0.009 7 0 "[ . 1 . 2]"
1 120 LEU 0.088 0.018 18 0 "[ . 1 . 2]"
1 121 VAL 0.447 0.032 18 0 "[ . 1 . 2]"
1 122 MET 0.017 0.010 12 0 "[ . 1 . 2]"
1 123 LYS 0.037 0.009 7 0 "[ . 1 . 2]"
1 124 ALA 0.016 0.005 7 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 GLU H 1 25 TYR O 1.800 . 2.300 2.002 1.794 2.309 0.009 3 0 "[ . 1 . 2]" 2
2 1 6 GLU N 1 25 TYR O 2.700 2.700 3.300 2.925 2.729 3.220 . 0 0 "[ . 1 . 2]" 2
3 1 8 LYS H 1 23 TYR O 1.800 . 2.300 1.959 1.796 2.237 0.004 12 0 "[ . 1 . 2]" 2
4 1 8 LYS N 1 23 TYR O 2.700 2.700 3.300 2.905 2.742 3.091 . 0 0 "[ . 1 . 2]" 2
5 1 10 PHE H 1 21 ILE O 1.800 . 2.300 2.057 1.861 2.302 0.002 6 0 "[ . 1 . 2]" 2
6 1 10 PHE N 1 21 ILE O 2.700 2.700 3.300 2.990 2.815 3.271 . 0 0 "[ . 1 . 2]" 2
7 1 12 ALA H 1 19 ILE O 1.800 . 2.300 2.014 1.794 2.302 0.006 1 0 "[ . 1 . 2]" 2
8 1 12 ALA N 1 19 ILE O 2.700 2.700 3.300 2.940 2.734 3.214 . 0 0 "[ . 1 . 2]" 2
9 1 20 ALA H 1 36 GLU O 1.800 . 2.300 1.962 1.793 2.269 0.007 2 0 "[ . 1 . 2]" 2
10 1 20 ALA N 1 36 GLU O 2.700 2.700 3.300 2.906 2.758 3.173 . 0 0 "[ . 1 . 2]" 2
11 1 10 PHE O 1 21 ILE H 1.800 . 2.300 2.124 1.836 2.303 0.003 6 0 "[ . 1 . 2]" 2
12 1 10 PHE O 1 21 ILE N 2.700 2.700 3.300 2.889 2.695 3.026 0.005 9 0 "[ . 1 . 2]" 2
13 1 22 THR H 1 34 SER O 1.800 . 2.300 1.814 1.785 1.962 0.015 2 0 "[ . 1 . 2]" 2
14 1 22 THR N 1 34 SER O 2.700 2.700 3.300 2.728 2.684 2.774 0.016 1 0 "[ . 1 . 2]" 2
15 1 8 LYS O 1 23 TYR H 1.800 . 2.300 1.967 1.791 2.252 0.009 12 0 "[ . 1 . 2]" 2
16 1 8 LYS O 1 23 TYR N 2.700 2.700 3.300 2.863 2.727 3.087 . 0 0 "[ . 1 . 2]" 2
17 1 24 VAL H 1 32 LYS O 1.800 . 2.300 1.842 1.792 2.058 0.008 8 0 "[ . 1 . 2]" 2
18 1 24 VAL N 1 32 LYS O 2.700 2.700 3.300 2.739 2.688 2.934 0.012 11 0 "[ . 1 . 2]" 2
19 1 6 GLU O 1 25 TYR H 1.800 . 2.300 1.957 1.798 2.248 0.002 11 0 "[ . 1 . 2]" 2
20 1 6 GLU O 1 25 TYR N 2.700 2.700 3.300 2.873 2.715 3.168 . 0 0 "[ . 1 . 2]" 2
21 1 33 GLN H 1 86 ILE O 1.800 . 2.300 1.817 1.791 1.923 0.009 7 0 "[ . 1 . 2]" 2
22 1 33 GLN N 1 86 ILE O 2.700 2.700 3.300 2.775 2.698 2.906 0.002 9 0 "[ . 1 . 2]" 2
23 1 22 THR O 1 34 SER H 1.800 . 2.300 2.045 1.817 2.303 0.003 6 0 "[ . 1 . 2]" 2
24 1 22 THR O 1 34 SER N 2.700 2.700 3.300 2.936 2.721 3.170 . 0 0 "[ . 1 . 2]" 2
25 1 35 SER H 1 84 VAL O 1.800 . 2.300 1.924 1.790 2.279 0.010 2 0 "[ . 1 . 2]" 2
26 1 35 SER N 1 84 VAL O 2.700 2.700 3.300 2.709 2.680 2.821 0.020 9 0 "[ . 1 . 2]" 2
27 1 20 ALA O 1 36 GLU H 1.800 . 2.300 2.040 1.793 2.305 0.007 20 0 "[ . 1 . 2]" 2
28 1 20 ALA O 1 36 GLU N 2.700 2.700 3.300 2.968 2.758 3.208 . 0 0 "[ . 1 . 2]" 2
29 1 37 THR H 1 82 GLU O 1.800 . 2.300 1.948 1.799 2.148 0.001 10 0 "[ . 1 . 2]" 2
30 1 37 THR N 1 82 GLU O 2.700 2.700 3.300 2.866 2.760 3.014 . 0 0 "[ . 1 . 2]" 2
31 1 18 GLU O 1 38 LYS H 1.800 . 2.300 1.812 1.790 1.951 0.010 11 0 "[ . 1 . 2]" 2
32 1 18 GLU O 1 38 LYS N 2.700 2.700 3.300 2.770 2.705 2.864 . 0 0 "[ . 1 . 2]" 2
33 1 39 ILE H 1 80 ALA O 1.800 . 2.300 1.900 1.796 2.044 0.004 5 0 "[ . 1 . 2]" 2
34 1 39 ILE N 1 80 ALA O 2.700 2.700 3.300 2.815 2.722 2.945 . 0 0 "[ . 1 . 2]" 2
35 1 49 LYS O 1 53 ALA H 1.800 . 2.300 2.006 1.794 2.256 0.006 20 0 "[ . 1 . 2]" 2
36 1 49 LYS O 1 53 ALA N 2.700 2.700 3.300 2.942 2.748 3.134 . 0 0 "[ . 1 . 2]" 2
37 1 50 GLU O 1 54 LYS H 1.800 . 2.300 2.003 1.794 2.305 0.006 19 0 "[ . 1 . 2]" 2
38 1 50 GLU O 1 54 LYS N 2.700 2.700 3.300 2.949 2.730 3.213 . 0 0 "[ . 1 . 2]" 2
39 1 52 ALA O 1 56 LEU H 1.800 . 2.300 1.940 1.796 2.300 0.004 19 0 "[ . 1 . 2]" 2
40 1 52 ALA O 1 56 LEU N 2.700 2.700 3.300 2.834 2.697 3.163 0.003 11 0 "[ . 1 . 2]" 2
41 1 53 ALA O 1 57 GLU H 1.800 . 2.300 1.839 1.792 2.115 0.008 4 0 "[ . 1 . 2]" 2
42 1 53 ALA O 1 57 GLU N 2.700 2.700 3.300 2.785 2.699 3.024 0.001 4 0 "[ . 1 . 2]" 2
43 1 70 GLU H 1 85 THR O 1.800 . 2.300 1.922 1.795 2.217 0.005 6 0 "[ . 1 . 2]" 2
44 1 70 GLU N 1 85 THR O 2.700 2.700 3.300 2.836 2.718 3.132 . 0 0 "[ . 1 . 2]" 2
45 1 72 LYS H 1 83 ASN O 1.800 . 2.300 1.970 1.787 2.306 0.013 2 0 "[ . 1 . 2]" 2
46 1 72 LYS N 1 83 ASN O 2.700 2.700 3.300 2.882 2.733 3.119 . 0 0 "[ . 1 . 2]" 2
47 1 74 THR H 1 81 GLN O 1.800 . 2.300 1.944 1.814 2.198 . 0 0 "[ . 1 . 2]" 2
48 1 74 THR N 1 81 GLN O 2.700 2.700 3.300 2.910 2.786 3.117 . 0 0 "[ . 1 . 2]" 2
49 1 39 ILE O 1 80 ALA H 1.800 . 2.300 1.831 1.793 2.050 0.007 8 0 "[ . 1 . 2]" 2
50 1 39 ILE O 1 80 ALA N 2.700 2.700 3.300 2.801 2.734 3.020 . 0 0 "[ . 1 . 2]" 2
51 1 74 THR O 1 81 GLN H 1.800 . 2.300 1.847 1.788 2.024 0.012 19 0 "[ . 1 . 2]" 2
52 1 74 THR O 1 81 GLN N 2.700 2.700 3.300 2.806 2.700 2.964 0.000 8 0 "[ . 1 . 2]" 2
53 1 37 THR O 1 82 GLU H 1.800 . 2.300 1.876 1.792 2.208 0.008 7 0 "[ . 1 . 2]" 2
54 1 37 THR O 1 82 GLU N 2.700 2.700 3.300 2.810 2.705 3.130 . 0 0 "[ . 1 . 2]" 2
55 1 72 LYS O 1 83 ASN H 1.800 . 2.300 1.983 1.825 2.176 . 0 0 "[ . 1 . 2]" 2
56 1 72 LYS O 1 83 ASN N 2.700 2.700 3.300 2.877 2.709 3.065 . 0 0 "[ . 1 . 2]" 2
57 1 35 SER O 1 84 VAL H 1.800 . 2.300 1.968 1.797 2.301 0.003 8 0 "[ . 1 . 2]" 2
58 1 35 SER O 1 84 VAL N 2.700 2.700 3.300 2.848 2.699 3.130 0.001 8 0 "[ . 1 . 2]" 2
59 1 70 GLU O 1 85 THR H 1.800 . 2.300 1.916 1.792 2.106 0.008 8 0 "[ . 1 . 2]" 2
60 1 70 GLU O 1 85 THR N 2.700 2.700 3.300 2.833 2.711 2.964 . 0 0 "[ . 1 . 2]" 2
61 1 33 GLN O 1 86 ILE H 1.800 . 2.300 1.853 1.789 2.103 0.011 10 0 "[ . 1 . 2]" 2
62 1 33 GLN O 1 86 ILE N 2.700 2.700 3.300 2.791 2.717 2.898 . 0 0 "[ . 1 . 2]" 2
63 1 116 ALA O 1 120 LEU H 1.800 . 2.300 2.223 1.877 2.318 0.018 18 0 "[ . 1 . 2]" 2
64 1 116 ALA O 1 120 LEU N 2.700 2.700 3.300 3.199 2.857 3.296 . 0 0 "[ . 1 . 2]" 2
65 1 117 GLN O 1 121 VAL H 1.800 . 2.300 1.789 1.780 1.799 0.020 2 0 "[ . 1 . 2]" 2
66 1 117 GLN O 1 121 VAL N 2.700 2.700 3.300 2.691 2.668 2.722 0.032 18 0 "[ . 1 . 2]" 2
67 1 118 MET O 1 122 MET H 1.800 . 2.300 1.910 1.790 2.253 0.010 12 0 "[ . 1 . 2]" 2
68 1 118 MET O 1 122 MET N 2.700 2.700 3.300 2.834 2.702 3.146 . 0 0 "[ . 1 . 2]" 2
69 1 119 GLU O 1 123 LYS H 1.800 . 2.300 2.242 2.041 2.309 0.009 7 0 "[ . 1 . 2]" 2
70 1 119 GLU O 1 123 LYS N 2.700 2.700 3.300 3.160 2.976 3.254 . 0 0 "[ . 1 . 2]" 2
71 1 120 LEU O 1 124 ALA H 1.800 . 2.300 2.177 1.962 2.305 0.005 7 0 "[ . 1 . 2]" 2
72 1 120 LEU O 1 124 ALA N 2.700 2.700 3.300 2.916 2.734 3.079 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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