NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
403060 |
1wid   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wid
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 1132
_Distance_constraint_stats_list.Viol_count 682
_Distance_constraint_stats_list.Viol_total 97.670
_Distance_constraint_stats_list.Viol_max 0.134
_Distance_constraint_stats_list.Viol_rms 0.0024
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0072
_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 9 SER 0.094 0.038 6 0 "[ . 1 . 2]"
1 10 ALA 0.094 0.038 6 0 "[ . 1 . 2]"
1 11 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ALA 0.003 0.002 6 0 "[ . 1 . 2]"
1 13 LEU 0.010 0.006 19 0 "[ . 1 . 2]"
1 14 PHE 0.024 0.008 2 0 "[ . 1 . 2]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ALA 0.011 0.006 16 0 "[ . 1 . 2]"
1 18 VAL 0.151 0.018 20 0 "[ . 1 . 2]"
1 19 THR 0.085 0.014 20 0 "[ . 1 . 2]"
1 20 PRO 0.045 0.008 9 0 "[ . 1 . 2]"
1 21 SER 0.006 0.006 4 0 "[ . 1 . 2]"
1 22 ASP 0.187 0.018 20 0 "[ . 1 . 2]"
1 23 VAL 0.107 0.048 15 0 "[ . 1 . 2]"
1 24 GLY 0.181 0.048 15 0 "[ . 1 . 2]"
1 25 LYS 0.132 0.040 10 0 "[ . 1 . 2]"
1 26 LEU 0.084 0.031 4 0 "[ . 1 . 2]"
1 27 ASN 0.049 0.008 19 0 "[ . 1 . 2]"
1 28 ARG 0.121 0.019 7 0 "[ . 1 . 2]"
1 29 LEU 0.128 0.017 1 0 "[ . 1 . 2]"
1 30 VAL 0.073 0.011 20 0 "[ . 1 . 2]"
1 31 ILE 0.128 0.057 1 0 "[ . 1 . 2]"
1 32 PRO 0.087 0.013 18 0 "[ . 1 . 2]"
1 33 LYS 0.157 0.046 18 0 "[ . 1 . 2]"
1 34 HIS 0.164 0.046 18 0 "[ . 1 . 2]"
1 35 HIS 0.060 0.008 15 0 "[ . 1 . 2]"
1 36 ALA 0.056 0.013 20 0 "[ . 1 . 2]"
1 37 GLU 0.052 0.013 20 0 "[ . 1 . 2]"
1 38 LYS 0.006 0.003 18 0 "[ . 1 . 2]"
1 39 HIS 0.022 0.008 15 0 "[ . 1 . 2]"
1 40 PHE 0.035 0.009 9 0 "[ . 1 . 2]"
1 41 PRO 0.006 0.003 16 0 "[ . 1 . 2]"
1 42 LEU 0.201 0.134 3 0 "[ . 1 . 2]"
1 43 PRO 0.201 0.134 3 0 "[ . 1 . 2]"
1 47 VAL 0.253 0.045 19 0 "[ . 1 . 2]"
1 48 SER 0.256 0.045 19 0 "[ . 1 . 2]"
1 49 VAL 0.008 0.003 5 0 "[ . 1 . 2]"
1 50 LYS 0.143 0.052 1 0 "[ . 1 . 2]"
1 51 GLY 0.147 0.052 1 0 "[ . 1 . 2]"
1 52 VAL 0.343 0.113 9 0 "[ . 1 . 2]"
1 53 LEU 0.159 0.113 9 0 "[ . 1 . 2]"
1 54 LEU 0.062 0.010 9 0 "[ . 1 . 2]"
1 55 ASN 0.010 0.010 9 0 "[ . 1 . 2]"
1 56 PHE 0.008 0.003 3 0 "[ . 1 . 2]"
1 57 GLU 0.015 0.004 7 0 "[ . 1 . 2]"
1 58 ASP 0.064 0.011 20 0 "[ . 1 . 2]"
1 59 VAL 0.009 0.007 1 0 "[ . 1 . 2]"
1 60 ASN 0.007 0.007 1 0 "[ . 1 . 2]"
1 61 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LYS 0.061 0.011 20 0 "[ . 1 . 2]"
1 63 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 TRP 0.031 0.003 1 0 "[ . 1 . 2]"
1 65 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 PHE 0.126 0.011 7 0 "[ . 1 . 2]"
1 67 ARG 0.038 0.008 3 0 "[ . 1 . 2]"
1 68 TYR 0.314 0.035 1 0 "[ . 1 . 2]"
1 69 SER 0.048 0.012 8 0 "[ . 1 . 2]"
1 70 TYR 0.750 0.056 9 0 "[ . 1 . 2]"
1 71 TRP 0.286 0.029 4 0 "[ . 1 . 2]"
1 74 SER 0.301 0.056 9 0 "[ . 1 . 2]"
1 75 GLN 0.535 0.048 9 0 "[ . 1 . 2]"
1 76 SER 0.319 0.048 9 0 "[ . 1 . 2]"
1 77 TYR 0.257 0.023 8 0 "[ . 1 . 2]"
1 78 VAL 0.219 0.019 7 0 "[ . 1 . 2]"
1 79 LEU 0.305 0.057 1 0 "[ . 1 . 2]"
1 80 THR 0.094 0.011 1 0 "[ . 1 . 2]"
1 81 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 GLY 0.041 0.009 3 0 "[ . 1 . 2]"
1 83 TRP 0.083 0.010 8 0 "[ . 1 . 2]"
1 84 SER 0.041 0.009 14 0 "[ . 1 . 2]"
1 85 ARG 0.005 0.003 3 0 "[ . 1 . 2]"
1 86 PHE 0.014 0.004 17 0 "[ . 1 . 2]"
1 87 VAL 0.078 0.009 14 0 "[ . 1 . 2]"
1 88 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 LYS 0.005 0.002 5 0 "[ . 1 . 2]"
1 91 ASN 0.002 0.002 20 0 "[ . 1 . 2]"
1 92 LEU 0.021 0.005 1 0 "[ . 1 . 2]"
1 93 ARG 0.068 0.024 17 0 "[ . 1 . 2]"
1 94 ALA 0.073 0.024 17 0 "[ . 1 . 2]"
1 95 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 ASP 0.010 0.004 19 0 "[ . 1 . 2]"
1 97 VAL 0.036 0.009 16 0 "[ . 1 . 2]"
1 98 VAL 0.066 0.007 17 0 "[ . 1 . 2]"
1 99 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 PHE 0.032 0.006 8 0 "[ . 1 . 2]"
1 101 SER 0.003 0.002 6 0 "[ . 1 . 2]"
1 102 ARG 0.021 0.006 18 0 "[ . 1 . 2]"
1 103 SER 0.003 0.002 6 0 "[ . 1 . 2]"
1 104 ASN 0.006 0.006 18 0 "[ . 1 . 2]"
1 105 GLY 0.006 0.006 18 0 "[ . 1 . 2]"
1 107 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 GLN 0.004 0.003 20 0 "[ . 1 . 2]"
1 109 GLN 0.013 0.005 4 0 "[ . 1 . 2]"
1 110 LEU 0.039 0.006 18 0 "[ . 1 . 2]"
1 111 TYR 0.023 0.004 7 0 "[ . 1 . 2]"
1 112 ILE 0.010 0.005 4 0 "[ . 1 . 2]"
1 113 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 TRP 0.014 0.002 5 0 "[ . 1 . 2]"
1 115 LYS 0.014 0.004 4 0 "[ . 1 . 2]"
1 116 SER 0.007 0.003 12 0 "[ . 1 . 2]"
1 117 ARG 0.067 0.031 5 0 "[ . 1 . 2]"
1 118 SER 0.074 0.031 5 0 "[ . 1 . 2]"
1 119 GLY 0.008 0.004 18 0 "[ . 1 . 2]"
1 120 SER 0.248 0.049 20 0 "[ . 1 . 2]"
1 121 ASP 0.251 0.049 20 0 "[ . 1 . 2]"
1 122 LEU 0.224 0.051 19 0 "[ . 1 . 2]"
1 123 ASP 0.224 0.051 19 0 "[ . 1 . 2]"
1 124 ALA 0.002 0.001 10 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 9 SER HA 1 10 ALA H 2.500 . 3.500 2.657 2.142 3.538 0.038 6 0 "[ . 1 . 2]" 1
2 1 10 ALA HA 1 11 GLU H 3.500 . 4.500 2.442 2.143 2.707 . 0 0 "[ . 1 . 2]" 1
3 1 10 ALA MB 1 11 GLU H 2.500 . 3.500 2.411 1.970 3.200 . 0 0 "[ . 1 . 2]" 1
4 1 10 ALA MB 1 101 SER HB3 2.500 . 3.500 2.801 2.314 3.230 . 0 0 "[ . 1 . 2]" 1
5 1 10 ALA MB 1 101 SER HB2 2.500 . 3.500 2.863 2.193 3.324 . 0 0 "[ . 1 . 2]" 1
6 1 10 ALA MB 1 102 ARG H 3.500 . 4.500 3.258 2.298 4.252 . 0 0 "[ . 1 . 2]" 1
7 1 10 ALA HA 1 103 SER HA 5.000 2.500 6.000 3.017 2.575 3.913 . 0 0 "[ . 1 . 2]" 1
8 1 10 ALA MB 1 103 SER HA 3.500 . 4.500 3.042 2.008 3.817 . 0 0 "[ . 1 . 2]" 1
9 1 10 ALA HA 1 104 ASN H 3.500 . 4.500 4.076 2.911 4.463 . 0 0 "[ . 1 . 2]" 1
10 1 10 ALA MB 1 111 TYR QD 2.500 . 3.500 2.929 1.899 3.486 . 0 0 "[ . 1 . 2]" 1
11 1 10 ALA MB 1 111 TYR QE 2.500 . 3.500 2.815 2.128 3.361 . 0 0 "[ . 1 . 2]" 1
12 1 11 GLU HA 1 12 ALA H 2.000 . 2.800 2.169 2.140 2.228 . 0 0 "[ . 1 . 2]" 1
13 1 11 GLU QB 1 12 ALA H 2.500 . 3.500 3.284 3.078 3.496 . 0 0 "[ . 1 . 2]" 1
14 1 11 GLU HA 1 102 ARG H 5.000 2.500 6.000 4.765 4.313 5.233 . 0 0 "[ . 1 . 2]" 1
15 1 11 GLU QB 1 102 ARG H 3.500 . 4.500 3.826 2.990 4.449 . 0 0 "[ . 1 . 2]" 1
16 1 11 GLU H 1 102 ARG H 3.500 . 4.500 2.968 2.192 3.702 . 0 0 "[ . 1 . 2]" 1
17 1 11 GLU H 1 103 SER HA 3.500 . 4.500 3.773 3.178 4.498 . 0 0 "[ . 1 . 2]" 1
18 1 12 ALA HA 1 13 LEU HG 3.500 . 4.500 3.812 3.544 4.333 . 0 0 "[ . 1 . 2]" 1
19 1 12 ALA HA 1 13 LEU H 2.500 . 3.500 2.159 2.140 2.234 . 0 0 "[ . 1 . 2]" 1
20 1 12 ALA MB 1 13 LEU H 2.500 . 3.500 3.141 2.832 3.377 . 0 0 "[ . 1 . 2]" 1
21 1 12 ALA HA 1 14 PHE H 3.500 . 4.500 4.353 4.067 4.502 0.002 6 0 "[ . 1 . 2]" 1
22 1 12 ALA HA 1 101 SER HA 2.500 . 3.500 2.292 1.993 2.951 . 0 0 "[ . 1 . 2]" 1
23 1 12 ALA HA 1 101 SER HB3 3.500 . 4.500 2.554 1.999 3.078 0.001 17 0 "[ . 1 . 2]" 1
24 1 12 ALA HA 1 101 SER HB2 3.500 . 4.500 3.850 3.520 4.127 . 0 0 "[ . 1 . 2]" 1
25 1 12 ALA MB 1 101 SER HA 3.500 . 4.500 3.901 3.522 4.500 0.000 11 0 "[ . 1 . 2]" 1
26 1 12 ALA MB 1 101 SER HB3 3.500 . 4.500 3.813 3.411 4.354 . 0 0 "[ . 1 . 2]" 1
27 1 12 ALA MB 1 101 SER HB2 5.000 2.500 6.000 4.815 4.315 5.167 . 0 0 "[ . 1 . 2]" 1
28 1 12 ALA HA 1 102 ARG H 3.500 . 4.500 3.867 3.379 4.300 . 0 0 "[ . 1 . 2]" 1
29 1 12 ALA MB 1 102 ARG H 5.000 2.500 6.000 5.188 4.853 5.552 . 0 0 "[ . 1 . 2]" 1
30 1 13 LEU HA 1 14 PHE QD 3.500 . 4.500 4.059 3.784 4.386 . 0 0 "[ . 1 . 2]" 1
31 1 13 LEU HA 1 14 PHE H 3.500 . 4.500 3.568 3.555 3.572 . 0 0 "[ . 1 . 2]" 1
32 1 13 LEU HB3 1 14 PHE QD 2.500 . 3.500 2.366 1.988 2.813 . 0 0 "[ . 1 . 2]" 1
33 1 13 LEU HB3 1 14 PHE H 3.500 . 4.500 3.318 2.924 3.643 . 0 0 "[ . 1 . 2]" 1
34 1 13 LEU HB2 1 14 PHE QD 2.500 . 3.500 2.814 1.993 3.501 0.001 19 0 "[ . 1 . 2]" 1
35 1 13 LEU HB2 1 14 PHE H 2.500 . 3.500 2.210 2.052 2.399 . 0 0 "[ . 1 . 2]" 1
36 1 13 LEU QD 1 14 PHE QD 3.500 . 4.500 3.423 3.090 3.784 . 0 0 "[ . 1 . 2]" 1
37 1 13 LEU QD 1 14 PHE H 3.500 . 4.500 3.756 3.523 3.963 . 0 0 "[ . 1 . 2]" 1
38 1 13 LEU HG 1 14 PHE QD 5.000 2.500 6.000 4.985 4.461 5.447 . 0 0 "[ . 1 . 2]" 1
39 1 13 LEU HG 1 14 PHE H 3.500 . 4.500 4.160 3.912 4.409 . 0 0 "[ . 1 . 2]" 1
40 1 13 LEU H 1 14 PHE H 3.500 . 4.500 2.613 2.407 2.775 . 0 0 "[ . 1 . 2]" 1
41 1 13 LEU HA 1 39 HIS HE1 3.500 . 4.500 3.647 2.710 4.232 . 0 0 "[ . 1 . 2]" 1
42 1 13 LEU HB3 1 39 HIS HB3 5.000 2.500 6.000 3.075 2.644 3.723 . 0 0 "[ . 1 . 2]" 1
43 1 13 LEU HB3 1 39 HIS HD2 5.000 2.500 6.000 3.409 2.699 4.307 . 0 0 "[ . 1 . 2]" 1
44 1 13 LEU HB3 1 39 HIS HE1 5.000 2.500 6.000 4.444 3.655 5.214 . 0 0 "[ . 1 . 2]" 1
45 1 13 LEU QD 1 39 HIS HB3 2.500 . 3.500 2.084 1.832 2.563 . 0 0 "[ . 1 . 2]" 1
46 1 13 LEU QD 1 39 HIS HB2 3.500 . 4.500 3.109 2.350 3.536 . 0 0 "[ . 1 . 2]" 1
47 1 13 LEU QD 1 39 HIS HD2 3.500 . 4.500 3.971 3.369 4.500 0.000 19 0 "[ . 1 . 2]" 1
48 1 13 LEU QD 1 39 HIS HE1 3.500 . 4.500 3.577 2.902 4.148 . 0 0 "[ . 1 . 2]" 1
49 1 13 LEU HB2 1 40 PHE QE 3.500 . 4.500 3.996 3.343 4.500 0.000 18 0 "[ . 1 . 2]" 1
50 1 13 LEU HB2 1 40 PHE HZ 5.000 2.500 6.000 5.314 4.572 5.760 . 0 0 "[ . 1 . 2]" 1
51 1 13 LEU QD 1 40 PHE QD 5.000 2.500 6.000 3.485 2.642 4.318 . 0 0 "[ . 1 . 2]" 1
52 1 13 LEU QD 1 40 PHE QE 2.500 . 3.500 2.596 1.861 3.432 . 0 0 "[ . 1 . 2]" 1
53 1 13 LEU QD 1 40 PHE HZ 2.500 . 3.500 3.335 2.971 3.506 0.006 19 0 "[ . 1 . 2]" 1
54 1 13 LEU H 1 100 PHE H 5.000 2.500 6.000 4.169 3.802 4.603 . 0 0 "[ . 1 . 2]" 1
55 1 13 LEU QD 1 101 SER HA 2.500 . 3.500 3.049 2.682 3.370 . 0 0 "[ . 1 . 2]" 1
56 1 13 LEU HG 1 101 SER HA 2.500 . 3.500 2.315 1.991 2.631 . 0 0 "[ . 1 . 2]" 1
57 1 13 LEU H 1 101 SER HA 2.500 . 3.500 2.039 1.980 2.227 . 0 0 "[ . 1 . 2]" 1
58 1 13 LEU H 1 101 SER HB3 3.500 . 4.500 3.882 3.287 4.129 . 0 0 "[ . 1 . 2]" 1
59 1 13 LEU H 1 101 SER HB2 5.000 2.500 6.000 4.836 4.553 4.964 . 0 0 "[ . 1 . 2]" 1
60 1 13 LEU QD 1 102 ARG QB 2.500 . 3.500 1.875 1.644 2.608 . 0 0 "[ . 1 . 2]" 1
61 1 13 LEU HG 1 102 ARG H 3.500 . 4.500 3.042 2.492 3.611 . 0 0 "[ . 1 . 2]" 1
62 1 13 LEU H 1 102 ARG H 3.500 . 4.500 4.095 3.449 4.366 . 0 0 "[ . 1 . 2]" 1
63 1 13 LEU QD 1 110 LEU QD 2.000 . 2.800 2.376 1.819 2.800 0.000 4 0 "[ . 1 . 2]" 1
64 1 14 PHE HA 1 15 GLU H 2.500 . 3.500 2.325 2.183 2.568 . 0 0 "[ . 1 . 2]" 1
65 1 14 PHE QB 1 15 GLU H 2.500 . 3.500 2.606 2.091 3.011 . 0 0 "[ . 1 . 2]" 1
66 1 14 PHE HB3 1 15 GLU H 3.500 . 4.500 3.796 3.531 4.004 . 0 0 "[ . 1 . 2]" 1
67 1 14 PHE QD 1 15 GLU HA 3.500 . 4.500 3.797 3.314 4.331 . 0 0 "[ . 1 . 2]" 1
68 1 14 PHE HB2 1 15 GLU H 3.500 . 4.500 2.658 2.106 3.113 . 0 0 "[ . 1 . 2]" 1
69 1 14 PHE QD 1 15 GLU H 3.500 . 4.500 3.800 3.120 4.177 . 0 0 "[ . 1 . 2]" 1
70 1 14 PHE QD 1 31 ILE MG 3.500 . 4.500 3.888 3.468 4.508 0.008 2 0 "[ . 1 . 2]" 1
71 1 14 PHE QE 1 31 ILE MD 2.500 . 3.500 3.247 2.773 3.505 0.005 6 0 "[ . 1 . 2]" 1
72 1 14 PHE QE 1 31 ILE MG 2.500 . 3.500 2.547 1.925 3.106 . 0 0 "[ . 1 . 2]" 1
73 1 14 PHE HZ 1 31 ILE MD 3.500 . 4.500 2.993 2.401 3.672 . 0 0 "[ . 1 . 2]" 1
74 1 14 PHE HZ 1 31 ILE MG 2.500 . 3.500 2.693 2.093 3.243 . 0 0 "[ . 1 . 2]" 1
75 1 14 PHE QB 1 35 HIS HD2 5.000 2.500 6.000 3.353 2.497 4.902 0.003 18 0 "[ . 1 . 2]" 1
76 1 14 PHE HB3 1 35 HIS HE1 5.000 2.500 6.000 3.622 2.759 4.655 . 0 0 "[ . 1 . 2]" 1
77 1 14 PHE QD 1 35 HIS HA 5.000 2.500 6.000 4.428 3.626 5.549 . 0 0 "[ . 1 . 2]" 1
78 1 14 PHE HB2 1 35 HIS HE1 5.000 2.500 6.000 3.838 2.858 4.976 . 0 0 "[ . 1 . 2]" 1
79 1 14 PHE QD 1 35 HIS HE1 5.000 2.500 6.000 4.846 4.024 5.712 . 0 0 "[ . 1 . 2]" 1
80 1 14 PHE QE 1 36 ALA HA 5.000 2.500 6.000 4.246 2.856 5.832 . 0 0 "[ . 1 . 2]" 1
81 1 14 PHE HB3 1 39 HIS HD2 5.000 2.500 6.000 3.474 2.517 4.540 . 0 0 "[ . 1 . 2]" 1
82 1 14 PHE HB2 1 39 HIS HD2 5.000 2.500 6.000 4.986 4.041 5.831 . 0 0 "[ . 1 . 2]" 1
83 1 14 PHE QD 1 39 HIS HD2 2.500 . 3.500 2.483 1.993 3.502 0.002 20 0 "[ . 1 . 2]" 1
84 1 14 PHE QE 1 39 HIS HB3 5.000 2.500 6.000 3.994 3.239 4.986 . 0 0 "[ . 1 . 2]" 1
85 1 14 PHE QE 1 39 HIS HD2 5.000 2.500 6.000 3.691 2.858 4.846 . 0 0 "[ . 1 . 2]" 1
86 1 14 PHE QE 1 40 PHE QD 3.500 . 4.500 2.958 2.170 4.418 . 0 0 "[ . 1 . 2]" 1
87 1 14 PHE QE 1 40 PHE QE 3.500 . 4.500 2.162 1.999 3.032 0.001 20 0 "[ . 1 . 2]" 1
88 1 14 PHE QE 1 100 PHE HB2 5.000 2.500 6.000 3.263 2.549 3.747 . 0 0 "[ . 1 . 2]" 1
89 1 14 PHE H 1 100 PHE HB2 3.500 . 4.500 3.458 3.070 3.811 . 0 0 "[ . 1 . 2]" 1
90 1 14 PHE H 1 100 PHE H 3.500 . 4.500 3.203 2.936 3.458 . 0 0 "[ . 1 . 2]" 1
91 1 15 GLU HA 1 16 LYS H 2.500 . 3.500 2.181 2.141 2.311 . 0 0 "[ . 1 . 2]" 1
92 1 15 GLU QB 1 16 LYS H 3.500 . 4.500 3.405 2.614 3.973 . 0 0 "[ . 1 . 2]" 1
93 1 15 GLU H 1 16 LYS H 5.000 2.500 6.000 4.115 3.723 4.450 . 0 0 "[ . 1 . 2]" 1
94 1 15 GLU HA 1 99 SER HA 2.500 . 3.500 2.150 1.998 2.501 . 0 0 "[ . 1 . 2]" 1
95 1 15 GLU HA 1 99 SER HB3 5.000 2.500 6.000 4.034 2.892 5.016 . 0 0 "[ . 1 . 2]" 1
96 1 15 GLU HA 1 99 SER HB2 5.000 2.500 6.000 4.071 2.708 5.171 . 0 0 "[ . 1 . 2]" 1
97 1 15 GLU QB 1 99 SER HA 3.500 . 4.500 3.090 2.117 3.770 . 0 0 "[ . 1 . 2]" 1
98 1 15 GLU QB 1 99 SER QB 3.500 . 4.500 2.740 2.001 3.607 . 0 0 "[ . 1 . 2]" 1
99 1 15 GLU HB3 1 99 SER QB 3.500 . 4.500 3.026 2.043 4.498 . 0 0 "[ . 1 . 2]" 1
100 1 15 GLU HB2 1 99 SER QB 3.500 . 4.500 3.446 2.459 4.494 . 0 0 "[ . 1 . 2]" 1
101 1 15 GLU QG 1 99 SER QB 5.000 2.500 6.000 4.317 2.504 5.499 . 0 0 "[ . 1 . 2]" 1
102 1 15 GLU HA 1 100 PHE H 3.500 . 4.500 3.537 3.241 3.796 . 0 0 "[ . 1 . 2]" 1
103 1 16 LYS HA 1 17 ALA H 2.500 . 3.500 2.333 2.200 2.529 . 0 0 "[ . 1 . 2]" 1
104 1 16 LYS QB 1 17 ALA H 3.500 . 4.500 2.983 2.260 3.623 . 0 0 "[ . 1 . 2]" 1
105 1 16 LYS H 1 97 VAL QG 3.500 . 4.500 3.450 2.459 4.306 . 0 0 "[ . 1 . 2]" 1
106 1 16 LYS H 1 98 VAL MG1 5.000 2.500 6.000 4.653 4.327 4.944 . 0 0 "[ . 1 . 2]" 1
107 1 16 LYS H 1 98 VAL MG2 5.000 2.500 6.000 5.096 4.768 5.369 . 0 0 "[ . 1 . 2]" 1
108 1 16 LYS H 1 98 VAL H 3.500 . 4.500 3.797 3.040 4.409 . 0 0 "[ . 1 . 2]" 1
109 1 16 LYS H 1 99 SER HA 5.000 2.500 6.000 3.371 2.922 3.967 . 0 0 "[ . 1 . 2]" 1
110 1 17 ALA HA 1 18 VAL H 2.000 . 2.800 2.203 2.143 2.323 . 0 0 "[ . 1 . 2]" 1
111 1 17 ALA MB 1 18 VAL H 2.500 . 3.500 2.938 2.602 3.198 . 0 0 "[ . 1 . 2]" 1
112 1 17 ALA HA 1 97 VAL HA 3.500 . 4.500 2.119 1.994 2.477 0.006 16 0 "[ . 1 . 2]" 1
113 1 17 ALA HA 1 97 VAL QG 3.500 . 4.500 2.488 2.027 2.808 . 0 0 "[ . 1 . 2]" 1
114 1 17 ALA MB 1 97 VAL HA 5.000 2.500 6.000 3.485 3.115 3.897 . 0 0 "[ . 1 . 2]" 1
115 1 17 ALA HA 1 98 VAL H 3.500 . 4.500 3.037 2.502 3.647 . 0 0 "[ . 1 . 2]" 1
116 1 18 VAL HA 1 19 THR H 2.500 . 3.500 2.165 2.136 2.233 . 0 0 "[ . 1 . 2]" 1
117 1 18 VAL HB 1 19 THR H 3.500 . 4.500 4.234 4.012 4.464 . 0 0 "[ . 1 . 2]" 1
118 1 18 VAL MG1 1 19 THR H 5.000 2.500 6.000 3.985 3.760 4.158 . 0 0 "[ . 1 . 2]" 1
119 1 18 VAL MG2 1 19 THR H 3.500 . 4.500 2.636 2.080 3.274 . 0 0 "[ . 1 . 2]" 1
120 1 18 VAL HA 1 22 ASP HB3 3.500 . 4.500 4.165 3.777 4.505 0.005 16 0 "[ . 1 . 2]" 1
121 1 18 VAL HA 1 22 ASP H 5.000 2.500 6.000 5.183 4.831 5.334 . 0 0 "[ . 1 . 2]" 1
122 1 18 VAL HB 1 22 ASP HB2 3.500 . 4.500 4.477 4.315 4.518 0.018 20 0 "[ . 1 . 2]" 1
123 1 18 VAL MG2 1 22 ASP HB2 3.500 . 4.500 2.047 1.993 2.216 0.007 9 0 "[ . 1 . 2]" 1
124 1 18 VAL MG2 1 22 ASP H 5.000 2.500 6.000 3.578 3.098 3.854 . 0 0 "[ . 1 . 2]" 1
125 1 18 VAL MG1 1 23 VAL QG 2.500 . 3.500 3.168 2.793 3.369 . 0 0 "[ . 1 . 2]" 1
126 1 18 VAL MG2 1 23 VAL QG 3.500 . 4.500 2.149 1.997 2.694 0.003 14 0 "[ . 1 . 2]" 1
127 1 18 VAL HB 1 29 LEU QD 3.500 . 4.500 3.925 3.437 4.499 . 0 0 "[ . 1 . 2]" 1
128 1 18 VAL HB 1 83 TRP HZ2 5.000 2.500 6.000 4.046 3.673 4.645 . 0 0 "[ . 1 . 2]" 1
129 1 18 VAL MG2 1 83 TRP HE1 5.000 2.500 6.000 3.822 3.422 4.530 . 0 0 "[ . 1 . 2]" 1
130 1 18 VAL MG2 1 83 TRP HZ2 3.500 . 4.500 2.897 2.560 3.371 . 0 0 "[ . 1 . 2]" 1
131 1 18 VAL HB 1 94 ALA HA 5.000 2.500 6.000 5.123 4.567 5.740 . 0 0 "[ . 1 . 2]" 1
132 1 18 VAL MG1 1 94 ALA HA 2.500 . 3.500 2.368 1.949 2.932 . 0 0 "[ . 1 . 2]" 1
133 1 18 VAL HB 1 95 GLY H 5.000 2.500 6.000 5.492 5.139 5.933 . 0 0 "[ . 1 . 2]" 1
134 1 18 VAL MG1 1 95 GLY H 2.500 . 3.500 2.645 2.313 3.152 . 0 0 "[ . 1 . 2]" 1
135 1 18 VAL MG1 1 96 ASP QB 3.500 . 4.500 2.210 1.996 2.740 0.004 19 0 "[ . 1 . 2]" 1
136 1 18 VAL MG1 1 96 ASP H 2.500 . 3.500 2.265 1.880 2.736 . 0 0 "[ . 1 . 2]" 1
137 1 18 VAL MG2 1 96 ASP H 5.000 2.500 6.000 4.467 4.105 4.914 . 0 0 "[ . 1 . 2]" 1
138 1 18 VAL H 1 96 ASP H 5.000 2.500 6.000 4.210 3.275 4.782 . 0 0 "[ . 1 . 2]" 1
139 1 18 VAL H 1 97 VAL HA 2.000 . 2.800 2.657 2.381 2.809 0.009 16 0 "[ . 1 . 2]" 1
140 1 18 VAL H 1 97 VAL QG 5.000 2.500 6.000 3.679 3.295 4.220 . 0 0 "[ . 1 . 2]" 1
141 1 18 VAL H 1 98 VAL H 5.000 2.500 6.000 3.563 3.029 4.141 . 0 0 "[ . 1 . 2]" 1
142 1 19 THR HA 1 20 PRO QD 2.500 . 3.500 2.095 2.006 2.249 . 0 0 "[ . 1 . 2]" 1
143 1 19 THR HB 1 20 PRO HD3 3.500 . 4.500 3.279 2.652 4.492 . 0 0 "[ . 1 . 2]" 1
144 1 19 THR HB 1 20 PRO HD2 3.500 . 4.500 2.207 1.992 3.648 0.008 9 0 "[ . 1 . 2]" 1
145 1 19 THR MG 1 20 PRO QD 3.500 . 4.500 2.733 2.006 3.709 . 0 0 "[ . 1 . 2]" 1
146 1 19 THR HB 1 22 ASP H 5.000 2.500 6.000 4.124 3.436 5.645 . 0 0 "[ . 1 . 2]" 1
147 1 19 THR MG 1 22 ASP H 5.000 2.500 6.000 4.473 2.486 5.354 0.014 20 0 "[ . 1 . 2]" 1
148 1 19 THR H 1 22 ASP HA 5.000 2.500 6.000 5.276 4.817 5.872 . 0 0 "[ . 1 . 2]" 1
149 1 19 THR H 1 22 ASP HB3 3.500 . 4.500 4.107 3.632 4.507 0.007 18 0 "[ . 1 . 2]" 1
150 1 19 THR H 1 22 ASP HB2 3.500 . 4.500 2.649 2.105 3.107 . 0 0 "[ . 1 . 2]" 1
151 1 19 THR H 1 22 ASP H 3.500 . 4.500 3.561 3.141 3.894 . 0 0 "[ . 1 . 2]" 1
152 1 19 THR H 1 29 LEU QD 5.000 2.500 6.000 5.124 4.680 5.904 . 0 0 "[ . 1 . 2]" 1
153 1 19 THR HA 1 94 ALA MB 3.500 . 4.500 3.329 2.561 3.833 . 0 0 "[ . 1 . 2]" 1
154 1 19 THR HB 1 94 ALA MB 5.000 2.500 6.000 4.843 4.166 5.753 . 0 0 "[ . 1 . 2]" 1
155 1 19 THR HA 1 95 GLY H 5.000 2.500 6.000 3.670 2.930 4.264 . 0 0 "[ . 1 . 2]" 1
156 1 20 PRO HA 1 23 VAL QG 2.500 . 3.500 2.595 2.161 3.503 0.003 16 0 "[ . 1 . 2]" 1
157 1 20 PRO HA 1 94 ALA HA 5.000 2.500 6.000 3.993 3.242 4.486 . 0 0 "[ . 1 . 2]" 1
158 1 20 PRO HA 1 94 ALA MB 2.500 . 3.500 2.083 1.837 2.462 . 0 0 "[ . 1 . 2]" 1
159 1 20 PRO QB 1 94 ALA MB 3.500 . 4.500 2.974 2.507 3.484 . 0 0 "[ . 1 . 2]" 1
160 1 20 PRO QD 1 94 ALA MB 3.500 . 4.500 2.567 2.000 3.075 . 0 0 "[ . 1 . 2]" 1
161 1 20 PRO HD3 1 94 ALA MB 3.500 . 4.500 2.612 2.014 3.175 . 0 0 "[ . 1 . 2]" 1
162 1 20 PRO HD2 1 94 ALA MB 3.500 . 4.500 3.842 3.405 4.283 . 0 0 "[ . 1 . 2]" 1
163 1 20 PRO QG 1 94 ALA MB 3.500 . 4.500 2.680 1.997 3.875 0.003 20 0 "[ . 1 . 2]" 1
164 1 21 SER HA 1 22 ASP H 3.500 . 4.500 3.509 3.447 3.542 . 0 0 "[ . 1 . 2]" 1
165 1 21 SER HA 1 23 VAL H 3.500 . 4.500 3.967 3.512 4.449 . 0 0 "[ . 1 . 2]" 1
166 1 21 SER HA 1 24 GLY H 3.500 . 4.500 3.676 2.944 4.506 0.006 4 0 "[ . 1 . 2]" 1
167 1 22 ASP HA 1 23 VAL H 5.000 2.500 6.000 3.376 2.574 3.545 . 0 0 "[ . 1 . 2]" 1
168 1 22 ASP HB2 1 23 VAL H 5.000 2.500 6.000 3.264 2.797 4.514 . 0 0 "[ . 1 . 2]" 1
169 1 22 ASP H 1 23 VAL QG 3.500 . 4.500 3.606 3.124 3.851 . 0 0 "[ . 1 . 2]" 1
170 1 22 ASP H 1 23 VAL H 3.500 . 4.500 2.689 2.489 3.592 . 0 0 "[ . 1 . 2]" 1
171 1 22 ASP HB3 1 29 LEU HA 3.500 . 4.500 3.477 3.021 3.990 . 0 0 "[ . 1 . 2]" 1
172 1 22 ASP HB2 1 29 LEU QD 3.500 . 4.500 4.245 3.915 4.503 0.003 7 0 "[ . 1 . 2]" 1
173 1 22 ASP H 1 29 LEU QD 5.000 2.500 6.000 5.777 5.575 6.009 0.009 8 0 "[ . 1 . 2]" 1
174 1 22 ASP HA 1 83 TRP HE1 5.000 2.500 6.000 4.253 3.136 4.814 . 0 0 "[ . 1 . 2]" 1
175 1 22 ASP HB3 1 83 TRP HE1 5.000 2.500 6.000 3.168 2.497 3.867 0.003 6 0 "[ . 1 . 2]" 1
176 1 22 ASP HB3 1 83 TRP HZ2 5.000 2.500 6.000 3.549 2.914 4.235 . 0 0 "[ . 1 . 2]" 1
177 1 22 ASP HB2 1 83 TRP HE1 5.000 2.500 6.000 4.680 3.917 5.377 . 0 0 "[ . 1 . 2]" 1
178 1 22 ASP HB2 1 83 TRP HZ2 5.000 2.500 6.000 4.916 4.477 5.286 . 0 0 "[ . 1 . 2]" 1
179 1 23 VAL HA 1 24 GLY H 5.000 2.500 6.000 2.960 2.778 3.546 . 0 0 "[ . 1 . 2]" 1
180 1 23 VAL HB 1 24 GLY H 3.500 . 4.500 4.377 3.381 4.548 0.048 15 0 "[ . 1 . 2]" 1
181 1 23 VAL QG 1 24 GLY H 2.500 . 3.500 3.309 1.923 3.506 0.006 8 0 "[ . 1 . 2]" 1
182 1 23 VAL HA 1 83 TRP HE1 5.000 2.500 6.000 3.117 2.580 3.541 . 0 0 "[ . 1 . 2]" 1
183 1 23 VAL QG 1 83 TRP HE1 3.500 . 4.500 2.695 2.000 3.939 0.000 5 0 "[ . 1 . 2]" 1
184 1 23 VAL HA 1 87 VAL MG1 3.500 . 4.500 3.687 2.552 4.358 . 0 0 "[ . 1 . 2]" 1
185 1 23 VAL HA 1 87 VAL MG2 3.500 . 4.500 3.616 2.623 4.131 . 0 0 "[ . 1 . 2]" 1
186 1 23 VAL HB 1 87 VAL MG2 3.500 . 4.500 3.971 3.533 4.333 . 0 0 "[ . 1 . 2]" 1
187 1 23 VAL QG 1 87 VAL MG2 2.500 . 3.500 2.404 1.981 3.411 . 0 0 "[ . 1 . 2]" 1
188 1 23 VAL QG 1 92 LEU HG 2.500 . 3.500 3.084 2.438 3.502 0.002 15 0 "[ . 1 . 2]" 1
189 1 23 VAL HB 1 93 ARG HA 5.000 2.500 6.000 3.525 2.718 4.635 . 0 0 "[ . 1 . 2]" 1
190 1 23 VAL QG 1 93 ARG HA 2.500 . 3.500 2.351 1.897 3.092 . 0 0 "[ . 1 . 2]" 1
191 1 23 VAL QG 1 94 ALA MB 2.500 . 3.500 2.537 1.995 2.992 . 0 0 "[ . 1 . 2]" 1
192 1 23 VAL QG 1 94 ALA H 2.500 . 3.500 2.611 1.983 3.147 . 0 0 "[ . 1 . 2]" 1
193 1 23 VAL MG1 1 94 ALA HA 3.500 . 4.500 3.678 2.338 4.205 . 0 0 "[ . 1 . 2]" 1
194 1 23 VAL MG2 1 94 ALA HA 3.500 . 4.500 3.215 2.328 4.472 . 0 0 "[ . 1 . 2]" 1
195 1 24 GLY HA3 1 25 LYS H 2.500 . 3.500 2.282 2.137 2.800 . 0 0 "[ . 1 . 2]" 1
196 1 24 GLY HA2 1 25 LYS H 2.500 . 3.500 3.104 2.633 3.540 0.040 10 0 "[ . 1 . 2]" 1
197 1 24 GLY H 1 25 LYS H 3.500 . 4.500 3.831 1.997 4.505 0.005 4 0 "[ . 1 . 2]" 1
198 1 25 LYS HA 1 26 LEU H 3.500 . 4.500 3.523 3.480 3.574 . 0 0 "[ . 1 . 2]" 1
199 1 25 LYS QB 1 26 LEU H 5.000 2.500 6.000 2.857 2.469 3.525 0.031 4 0 "[ . 1 . 2]" 1
200 1 25 LYS H 1 26 LEU H 3.500 . 4.500 2.577 2.299 3.015 . 0 0 "[ . 1 . 2]" 1
201 1 26 LEU HA 1 27 ASN H 3.500 . 4.500 3.444 2.548 3.548 . 0 0 "[ . 1 . 2]" 1
202 1 26 LEU QB 1 27 ASN H 5.000 2.500 6.000 2.883 2.492 4.025 0.008 19 0 "[ . 1 . 2]" 1
203 1 26 LEU QD 1 27 ASN H 3.500 . 4.500 3.739 2.042 4.469 . 0 0 "[ . 1 . 2]" 1
204 1 26 LEU HG 1 27 ASN H 3.500 . 4.500 3.926 2.075 4.502 0.002 13 0 "[ . 1 . 2]" 1
205 1 26 LEU H 1 27 ASN H 2.500 . 3.500 2.627 2.247 3.506 0.006 6 0 "[ . 1 . 2]" 1
206 1 27 ASN HA 1 28 ARG H 3.500 . 4.500 2.533 2.139 3.054 . 0 0 "[ . 1 . 2]" 1
207 1 27 ASN QB 1 28 ARG H 5.000 2.500 6.000 3.480 2.494 4.018 0.006 4 0 "[ . 1 . 2]" 1
208 1 27 ASN HA 1 83 TRP HD1 3.500 . 4.500 3.175 2.491 4.506 0.006 4 0 "[ . 1 . 2]" 1
209 1 27 ASN QB 1 83 TRP HD1 5.000 2.500 6.000 3.783 2.547 5.085 . 0 0 "[ . 1 . 2]" 1
210 1 28 ARG HA 1 29 LEU H 2.500 . 3.500 2.291 2.144 2.471 . 0 0 "[ . 1 . 2]" 1
211 1 28 ARG QB 1 29 LEU H 3.500 . 4.500 2.746 2.275 3.380 . 0 0 "[ . 1 . 2]" 1
212 1 28 ARG QG 1 29 LEU H 3.500 . 4.500 4.136 3.567 4.508 0.008 7 0 "[ . 1 . 2]" 1
213 1 28 ARG QB 1 71 TRP HH2 3.500 . 4.500 3.711 2.311 4.511 0.011 2 0 "[ . 1 . 2]" 1
214 1 28 ARG QB 1 78 VAL MG1 3.500 . 4.500 3.536 2.976 4.006 . 0 0 "[ . 1 . 2]" 1
215 1 28 ARG QB 1 78 VAL MG2 3.500 . 4.500 3.744 2.948 4.504 0.004 17 0 "[ . 1 . 2]" 1
216 1 28 ARG HB3 1 78 VAL MG1 3.500 . 4.500 4.242 3.612 4.519 0.019 7 0 "[ . 1 . 2]" 1
217 1 28 ARG HB2 1 78 VAL MG1 3.500 . 4.500 3.936 3.019 4.506 0.006 19 0 "[ . 1 . 2]" 1
218 1 28 ARG HA 1 80 THR HA 3.500 . 4.500 3.261 2.518 3.766 . 0 0 "[ . 1 . 2]" 1
219 1 28 ARG QB 1 80 THR HA 5.000 2.500 6.000 3.181 2.579 3.691 . 0 0 "[ . 1 . 2]" 1
220 1 28 ARG QB 1 80 THR MG 2.500 . 3.500 2.396 1.825 3.210 . 0 0 "[ . 1 . 2]" 1
221 1 28 ARG HA 1 83 TRP HD1 3.500 . 4.500 3.043 2.236 4.014 . 0 0 "[ . 1 . 2]" 1
222 1 28 ARG HA 1 83 TRP HE1 5.000 2.500 6.000 4.779 4.147 5.618 . 0 0 "[ . 1 . 2]" 1
223 1 28 ARG H 1 83 TRP HD1 3.500 . 4.500 2.940 2.150 4.077 . 0 0 "[ . 1 . 2]" 1
224 1 28 ARG H 1 83 TRP HE1 5.000 2.500 6.000 4.181 3.269 5.212 . 0 0 "[ . 1 . 2]" 1
225 1 29 LEU HA 1 30 VAL H 2.500 . 3.500 2.224 2.138 2.284 . 0 0 "[ . 1 . 2]" 1
226 1 29 LEU HB3 1 30 VAL H 5.000 2.500 6.000 3.978 3.849 4.341 . 0 0 "[ . 1 . 2]" 1
227 1 29 LEU HB2 1 30 VAL H 5.000 2.500 6.000 4.081 3.888 4.395 . 0 0 "[ . 1 . 2]" 1
228 1 29 LEU QD 1 30 VAL H 2.500 . 3.500 2.242 1.930 3.247 . 0 0 "[ . 1 . 2]" 1
229 1 29 LEU HG 1 30 VAL H 5.000 2.500 6.000 2.802 2.492 4.668 0.008 7 0 "[ . 1 . 2]" 1
230 1 29 LEU H 1 30 VAL H 5.000 2.500 6.000 4.547 4.370 4.634 . 0 0 "[ . 1 . 2]" 1
231 1 29 LEU QD 1 31 ILE HB 5.000 2.500 6.000 5.048 4.412 5.579 . 0 0 "[ . 1 . 2]" 1
232 1 29 LEU QD 1 31 ILE MD 2.000 . 2.800 2.493 1.914 2.803 0.003 19 0 "[ . 1 . 2]" 1
233 1 29 LEU QD 1 31 ILE QG 3.500 . 4.500 2.876 2.134 3.655 . 0 0 "[ . 1 . 2]" 1
234 1 29 LEU HG 1 31 ILE QG 3.500 . 4.500 3.050 2.444 4.429 . 0 0 "[ . 1 . 2]" 1
235 1 29 LEU H 1 78 VAL MG2 5.000 2.500 6.000 5.305 4.941 5.766 . 0 0 "[ . 1 . 2]" 1
236 1 29 LEU HB2 1 79 LEU QB 3.500 . 4.500 3.326 2.984 3.503 . 0 0 "[ . 1 . 2]" 1
237 1 29 LEU HB2 1 79 LEU QD 3.500 . 4.500 4.079 3.653 4.262 . 0 0 "[ . 1 . 2]" 1
238 1 29 LEU HB2 1 79 LEU HG 5.000 2.500 6.000 5.854 5.060 6.017 0.017 1 0 "[ . 1 . 2]" 1
239 1 29 LEU HB2 1 79 LEU H 5.000 2.500 6.000 4.344 3.813 4.622 . 0 0 "[ . 1 . 2]" 1
240 1 29 LEU QD 1 79 LEU QB 3.500 . 4.500 2.602 2.081 3.269 . 0 0 "[ . 1 . 2]" 1
241 1 29 LEU QD 1 79 LEU QD 2.000 . 2.800 2.131 1.762 2.749 . 0 0 "[ . 1 . 2]" 1
242 1 29 LEU QD 1 79 LEU HG 3.500 . 4.500 3.822 2.963 4.479 . 0 0 "[ . 1 . 2]" 1
243 1 29 LEU H 1 79 LEU QD 5.000 2.500 6.000 4.719 4.524 4.958 . 0 0 "[ . 1 . 2]" 1
244 1 29 LEU H 1 79 LEU H 3.500 . 4.500 3.073 2.602 3.782 . 0 0 "[ . 1 . 2]" 1
245 1 29 LEU H 1 80 THR HA 3.500 . 4.500 3.806 3.484 4.223 . 0 0 "[ . 1 . 2]" 1
246 1 29 LEU HA 1 83 TRP HE1 5.000 2.500 6.000 3.978 3.075 4.378 . 0 0 "[ . 1 . 2]" 1
247 1 29 LEU HB2 1 83 TRP HD1 5.000 2.500 6.000 4.663 4.298 5.180 . 0 0 "[ . 1 . 2]" 1
248 1 29 LEU HB2 1 83 TRP HE1 3.500 . 4.500 4.148 3.734 4.504 0.004 17 0 "[ . 1 . 2]" 1
249 1 29 LEU HB2 1 83 TRP HZ2 5.000 2.500 6.000 3.893 3.575 4.440 . 0 0 "[ . 1 . 2]" 1
250 1 29 LEU QD 1 83 TRP HE1 5.000 2.500 6.000 3.748 3.244 4.151 . 0 0 "[ . 1 . 2]" 1
251 1 29 LEU QD 1 83 TRP HE3 3.500 . 4.500 3.637 2.955 4.503 0.003 19 0 "[ . 1 . 2]" 1
252 1 29 LEU QD 1 83 TRP HZ2 2.500 . 3.500 2.566 2.157 3.289 . 0 0 "[ . 1 . 2]" 1
253 1 29 LEU QD 1 83 TRP HZ3 3.500 . 4.500 2.898 2.302 3.816 . 0 0 "[ . 1 . 2]" 1
254 1 29 LEU MD1 1 83 TRP HE1 5.000 2.500 6.000 4.078 3.275 5.937 . 0 0 "[ . 1 . 2]" 1
255 1 29 LEU MD1 1 83 TRP HH2 3.500 . 4.500 2.885 2.158 4.460 . 0 0 "[ . 1 . 2]" 1
256 1 29 LEU MD2 1 83 TRP HE1 5.000 2.500 6.000 5.296 3.291 5.965 . 0 0 "[ . 1 . 2]" 1
257 1 29 LEU MD2 1 83 TRP HH2 3.500 . 4.500 3.090 2.416 3.959 . 0 0 "[ . 1 . 2]" 1
258 1 29 LEU H 1 83 TRP HD1 5.000 2.500 6.000 4.223 3.367 4.749 . 0 0 "[ . 1 . 2]" 1
259 1 29 LEU H 1 83 TRP HE1 5.000 2.500 6.000 4.940 4.287 5.354 . 0 0 "[ . 1 . 2]" 1
260 1 29 LEU HB2 1 98 VAL MG1 5.000 2.500 6.000 4.782 4.204 5.378 . 0 0 "[ . 1 . 2]" 1
261 1 29 LEU QD 1 98 VAL MG1 2.000 . 2.800 2.222 1.826 2.599 . 0 0 "[ . 1 . 2]" 1
262 1 29 LEU QD 1 98 VAL MG2 2.500 . 3.500 2.568 2.116 3.113 . 0 0 "[ . 1 . 2]" 1
263 1 29 LEU QD 1 100 PHE QD 3.500 . 4.500 3.902 3.607 4.219 . 0 0 "[ . 1 . 2]" 1
264 1 29 LEU QD 1 100 PHE QE 2.500 . 3.500 2.138 1.898 2.745 . 0 0 "[ . 1 . 2]" 1
265 1 29 LEU QD 1 100 PHE HZ 2.500 . 3.500 1.997 1.821 3.066 . 0 0 "[ . 1 . 2]" 1
266 1 30 VAL HA 1 31 ILE H 2.500 . 3.500 2.223 2.147 2.294 . 0 0 "[ . 1 . 2]" 1
267 1 30 VAL HB 1 31 ILE H 3.500 . 4.500 3.456 2.669 4.254 . 0 0 "[ . 1 . 2]" 1
268 1 30 VAL HA 1 78 VAL HA 2.500 . 3.500 2.576 1.980 3.106 . 0 0 "[ . 1 . 2]" 1
269 1 30 VAL HA 1 78 VAL HB 3.500 . 4.500 3.786 3.122 4.398 . 0 0 "[ . 1 . 2]" 1
270 1 30 VAL HA 1 78 VAL MG1 2.500 . 3.500 2.075 1.902 2.425 . 0 0 "[ . 1 . 2]" 1
271 1 30 VAL QG 1 78 VAL MG1 2.000 . 2.800 2.210 1.823 2.529 . 0 0 "[ . 1 . 2]" 1
272 1 30 VAL QG 1 78 VAL MG2 3.500 . 4.500 4.296 3.893 4.511 0.011 20 0 "[ . 1 . 2]" 1
273 1 30 VAL HA 1 79 LEU H 3.500 . 4.500 3.852 2.916 4.500 0.000 7 0 "[ . 1 . 2]" 1
274 1 30 VAL H 1 98 VAL MG1 5.000 2.500 6.000 5.958 5.714 6.007 0.007 17 0 "[ . 1 . 2]" 1
275 1 31 ILE HA 1 32 PRO QD 2.500 . 3.500 1.940 1.902 2.080 . 0 0 "[ . 1 . 2]" 1
276 1 31 ILE HB 1 32 PRO QD 3.500 . 4.500 4.044 3.865 4.368 . 0 0 "[ . 1 . 2]" 1
277 1 31 ILE MG 1 32 PRO QD 3.500 . 4.500 2.242 1.995 3.158 0.005 1 0 "[ . 1 . 2]" 1
278 1 31 ILE MG 1 35 HIS H 5.000 2.500 6.000 4.343 3.763 4.820 . 0 0 "[ . 1 . 2]" 1
279 1 31 ILE MG 1 36 ALA MB 2.000 . 2.800 2.409 1.950 2.753 . 0 0 "[ . 1 . 2]" 1
280 1 31 ILE MG 1 36 ALA H 3.500 . 4.500 3.520 2.644 3.928 . 0 0 "[ . 1 . 2]" 1
281 1 31 ILE MG 1 40 PHE QD 3.500 . 4.500 4.285 3.715 4.503 0.003 17 0 "[ . 1 . 2]" 1
282 1 31 ILE HB 1 68 TYR QE 3.500 . 4.500 3.841 2.744 4.476 . 0 0 "[ . 1 . 2]" 1
283 1 31 ILE MD 1 68 TYR QE 2.500 . 3.500 2.543 1.867 3.508 0.008 12 0 "[ . 1 . 2]" 1
284 1 31 ILE MG 1 68 TYR QE 3.500 . 4.500 3.824 2.434 4.464 . 0 0 "[ . 1 . 2]" 1
285 1 31 ILE MD 1 78 VAL HA 5.000 2.500 6.000 3.879 3.194 4.668 . 0 0 "[ . 1 . 2]" 1
286 1 31 ILE H 1 78 VAL HA 3.500 . 4.500 3.128 2.434 3.607 . 0 0 "[ . 1 . 2]" 1
287 1 31 ILE H 1 78 VAL MG1 3.500 . 4.500 3.030 2.545 3.425 . 0 0 "[ . 1 . 2]" 1
288 1 31 ILE H 1 78 VAL MG2 5.000 2.500 6.000 5.142 4.761 5.472 . 0 0 "[ . 1 . 2]" 1
289 1 31 ILE MD 1 79 LEU QB 2.500 . 3.500 3.313 2.835 3.504 0.004 12 0 "[ . 1 . 2]" 1
290 1 31 ILE MD 1 79 LEU QD 2.500 . 3.500 2.050 1.577 2.580 . 0 0 "[ . 1 . 2]" 1
291 1 31 ILE MD 1 79 LEU HG 2.500 . 3.500 2.693 1.925 3.557 0.057 1 0 "[ . 1 . 2]" 1
292 1 31 ILE H 1 79 LEU H 5.000 2.500 6.000 5.003 4.242 5.439 . 0 0 "[ . 1 . 2]" 1
293 1 31 ILE MD 1 100 PHE QE 3.500 . 4.500 3.539 2.956 4.042 . 0 0 "[ . 1 . 2]" 1
294 1 31 ILE MD 1 100 PHE HZ 3.500 . 4.500 4.205 3.769 4.504 0.004 7 0 "[ . 1 . 2]" 1
295 1 32 PRO HA 1 33 LYS H 2.500 . 3.500 2.402 2.226 2.487 . 0 0 "[ . 1 . 2]" 1
296 1 32 PRO QB 1 33 LYS H 5.000 2.500 6.000 2.607 2.493 2.998 0.007 6 0 "[ . 1 . 2]" 1
297 1 32 PRO HB3 1 33 LYS H 3.500 . 4.500 3.037 2.644 3.467 . 0 0 "[ . 1 . 2]" 1
298 1 32 PRO HB2 1 33 LYS H 3.500 . 4.500 2.983 2.565 3.647 . 0 0 "[ . 1 . 2]" 1
299 1 32 PRO HA 1 34 HIS HE1 5.000 2.500 6.000 4.572 4.010 5.168 . 0 0 "[ . 1 . 2]" 1
300 1 32 PRO QB 1 34 HIS HE1 3.500 . 4.500 2.273 2.008 2.671 . 0 0 "[ . 1 . 2]" 1
301 1 32 PRO QB 1 34 HIS H 3.500 . 4.500 3.043 2.545 4.513 0.013 18 0 "[ . 1 . 2]" 1
302 1 32 PRO QG 1 34 HIS HE1 5.000 2.500 6.000 2.988 2.493 3.686 0.007 18 0 "[ . 1 . 2]" 1
303 1 32 PRO QB 1 35 HIS H 5.000 2.500 6.000 2.871 2.493 4.548 0.007 10 0 "[ . 1 . 2]" 1
304 1 33 LYS HA 1 34 HIS H 3.500 . 4.500 3.382 2.145 3.567 . 0 0 "[ . 1 . 2]" 1
305 1 33 LYS QB 1 34 HIS H 2.500 . 3.500 3.198 2.318 3.546 0.046 18 0 "[ . 1 . 2]" 1
306 1 33 LYS QG 1 34 HIS H 3.500 . 4.500 2.833 1.995 4.441 0.005 5 0 "[ . 1 . 2]" 1
307 1 33 LYS H 1 34 HIS H 3.500 . 4.500 2.539 2.261 4.263 . 0 0 "[ . 1 . 2]" 1
308 1 33 LYS HA 1 35 HIS H 5.000 2.500 6.000 3.845 3.627 4.040 . 0 0 "[ . 1 . 2]" 1
309 1 33 LYS H 1 35 HIS H 5.000 2.500 6.000 4.020 3.692 5.542 . 0 0 "[ . 1 . 2]" 1
310 1 33 LYS HA 1 36 ALA MB 2.500 . 3.500 2.603 2.201 3.274 . 0 0 "[ . 1 . 2]" 1
311 1 33 LYS HA 1 36 ALA H 3.500 . 4.500 3.179 2.848 3.844 . 0 0 "[ . 1 . 2]" 1
312 1 33 LYS HA 1 37 GLU H 5.000 2.500 6.000 4.298 2.957 4.880 . 0 0 "[ . 1 . 2]" 1
313 1 33 LYS HA 1 77 TYR QD 2.500 . 3.500 2.929 2.238 3.413 . 0 0 "[ . 1 . 2]" 1
314 1 33 LYS HA 1 77 TYR QE 3.500 . 4.500 2.647 1.995 3.350 0.005 3 0 "[ . 1 . 2]" 1
315 1 33 LYS QB 1 77 TYR QD 3.500 . 4.500 3.649 3.024 4.379 . 0 0 "[ . 1 . 2]" 1
316 1 33 LYS HB3 1 77 TYR QE 3.500 . 4.500 3.436 2.017 4.510 0.010 20 0 "[ . 1 . 2]" 1
317 1 33 LYS HB2 1 77 TYR QE 3.500 . 4.500 3.182 1.998 4.083 0.002 8 0 "[ . 1 . 2]" 1
318 1 34 HIS QB 1 35 HIS H 5.000 2.500 6.000 3.587 3.329 3.785 . 0 0 "[ . 1 . 2]" 1
319 1 34 HIS HD1 1 35 HIS QB 5.000 2.500 6.000 3.499 2.634 4.114 . 0 0 "[ . 1 . 2]" 1
320 1 34 HIS HD2 1 35 HIS HA 3.500 . 4.500 3.567 2.819 4.365 . 0 0 "[ . 1 . 2]" 1
321 1 34 HIS HD2 1 35 HIS HE1 3.500 . 4.500 3.911 3.124 4.502 0.002 5 0 "[ . 1 . 2]" 1
322 1 34 HIS HD2 1 35 HIS H 5.000 2.500 6.000 3.382 2.662 3.998 . 0 0 "[ . 1 . 2]" 1
323 1 34 HIS HE1 1 35 HIS HD2 5.000 2.500 6.000 5.055 3.431 6.006 0.006 15 0 "[ . 1 . 2]" 1
324 1 34 HIS HE1 1 35 HIS H 5.000 2.500 6.000 4.882 3.572 5.520 . 0 0 "[ . 1 . 2]" 1
325 1 34 HIS H 1 35 HIS H 3.500 . 4.500 2.610 2.013 2.830 . 0 0 "[ . 1 . 2]" 1
326 1 34 HIS H 1 36 ALA H 5.000 2.500 6.000 3.939 2.498 4.496 0.002 15 0 "[ . 1 . 2]" 1
327 1 34 HIS HA 1 37 GLU QB 3.500 . 4.500 3.486 2.911 4.184 . 0 0 "[ . 1 . 2]" 1
328 1 34 HIS HA 1 37 GLU H 3.500 . 4.500 4.169 3.802 4.505 0.005 18 0 "[ . 1 . 2]" 1
329 1 35 HIS HA 1 36 ALA H 3.500 . 4.500 3.497 3.465 3.567 . 0 0 "[ . 1 . 2]" 1
330 1 35 HIS QB 1 36 ALA H 3.500 . 4.500 2.812 2.404 2.969 . 0 0 "[ . 1 . 2]" 1
331 1 35 HIS H 1 36 ALA MB 5.000 2.500 6.000 3.905 3.714 4.002 . 0 0 "[ . 1 . 2]" 1
332 1 35 HIS H 1 36 ALA H 2.500 . 3.500 2.175 1.978 2.314 . 0 0 "[ . 1 . 2]" 1
333 1 35 HIS H 1 37 GLU H 5.000 2.500 6.000 3.772 3.168 4.191 . 0 0 "[ . 1 . 2]" 1
334 1 35 HIS HA 1 38 LYS HB3 3.500 . 4.500 3.300 2.347 4.056 . 0 0 "[ . 1 . 2]" 1
335 1 35 HIS HA 1 38 LYS H 3.500 . 4.500 3.543 2.993 3.862 . 0 0 "[ . 1 . 2]" 1
336 1 35 HIS HA 1 39 HIS HD2 2.500 . 3.500 2.779 2.196 3.502 0.002 15 0 "[ . 1 . 2]" 1
337 1 35 HIS QB 1 39 HIS HD2 3.500 . 4.500 2.896 1.992 3.900 0.008 15 0 "[ . 1 . 2]" 1
338 1 35 HIS HD2 1 39 HIS HD2 5.000 2.500 6.000 4.956 3.423 6.002 0.002 19 0 "[ . 1 . 2]" 1
339 1 35 HIS H 1 39 HIS HD2 5.000 2.500 6.000 5.363 4.969 5.993 . 0 0 "[ . 1 . 2]" 1
340 1 36 ALA HA 1 37 GLU H 3.500 . 4.500 3.279 3.106 3.573 . 0 0 "[ . 1 . 2]" 1
341 1 36 ALA MB 1 37 GLU H 2.500 . 3.500 3.223 2.135 3.513 0.013 20 0 "[ . 1 . 2]" 1
342 1 36 ALA H 1 37 GLU H 5.000 2.500 6.000 2.638 2.504 2.703 . 0 0 "[ . 1 . 2]" 1
343 1 36 ALA HA 1 38 LYS H 5.000 2.500 6.000 4.588 4.237 4.885 . 0 0 "[ . 1 . 2]" 1
344 1 36 ALA H 1 38 LYS H 3.500 . 4.500 4.232 3.610 4.500 0.000 1 0 "[ . 1 . 2]" 1
345 1 36 ALA HA 1 39 HIS HB3 5.000 2.500 6.000 5.451 4.908 5.912 . 0 0 "[ . 1 . 2]" 1
346 1 36 ALA HA 1 39 HIS HD2 5.000 2.500 6.000 5.005 4.326 5.682 . 0 0 "[ . 1 . 2]" 1
347 1 36 ALA HA 1 39 HIS H 3.500 . 4.500 4.019 3.512 4.499 . 0 0 "[ . 1 . 2]" 1
348 1 36 ALA HA 1 40 PHE HB3 3.500 . 4.500 3.917 3.594 4.345 . 0 0 "[ . 1 . 2]" 1
349 1 36 ALA HA 1 40 PHE QD 3.500 . 4.500 2.600 1.999 3.533 0.001 20 0 "[ . 1 . 2]" 1
350 1 36 ALA HA 1 40 PHE QE 5.000 2.500 6.000 4.384 3.565 5.108 . 0 0 "[ . 1 . 2]" 1
351 1 36 ALA HA 1 40 PHE H 3.500 . 4.500 2.913 2.517 3.214 . 0 0 "[ . 1 . 2]" 1
352 1 36 ALA MB 1 40 PHE QD 3.500 . 4.500 3.699 3.295 4.229 . 0 0 "[ . 1 . 2]" 1
353 1 36 ALA MB 1 77 TYR QB 3.500 . 4.500 2.796 2.091 3.540 . 0 0 "[ . 1 . 2]" 1
354 1 36 ALA MB 1 77 TYR QD 2.000 . 2.800 2.547 1.930 2.804 0.004 16 0 "[ . 1 . 2]" 1
355 1 37 GLU HA 1 38 LYS H 3.500 . 4.500 3.518 3.481 3.548 . 0 0 "[ . 1 . 2]" 1
356 1 37 GLU QB 1 38 LYS H 3.500 . 4.500 2.822 2.540 3.527 . 0 0 "[ . 1 . 2]" 1
357 1 37 GLU H 1 38 LYS H 2.500 . 3.500 2.093 1.962 2.636 . 0 0 "[ . 1 . 2]" 1
358 1 37 GLU H 1 39 HIS H 3.500 . 4.500 3.454 3.007 4.119 . 0 0 "[ . 1 . 2]" 1
359 1 38 LYS HA 1 39 HIS H 3.500 . 4.500 3.507 3.460 3.565 . 0 0 "[ . 1 . 2]" 1
360 1 38 LYS HB3 1 39 HIS HE1 5.000 2.500 6.000 4.913 4.293 5.633 . 0 0 "[ . 1 . 2]" 1
361 1 38 LYS HB3 1 39 HIS H 2.500 . 3.500 2.760 2.304 3.021 . 0 0 "[ . 1 . 2]" 1
362 1 38 LYS QG 1 39 HIS HE1 3.500 . 4.500 4.187 3.270 4.503 0.003 18 0 "[ . 1 . 2]" 1
363 1 38 LYS H 1 39 HIS H 2.000 . 2.800 2.449 2.260 2.581 . 0 0 "[ . 1 . 2]" 1
364 1 38 LYS H 1 40 PHE H 5.000 2.500 6.000 4.278 3.609 4.765 . 0 0 "[ . 1 . 2]" 1
365 1 39 HIS HA 1 40 PHE H 5.000 2.500 6.000 3.555 3.480 3.571 . 0 0 "[ . 1 . 2]" 1
366 1 39 HIS HB3 1 40 PHE QD 5.000 2.500 6.000 3.483 2.782 4.445 . 0 0 "[ . 1 . 2]" 1
367 1 39 HIS HB2 1 40 PHE QD 3.500 . 4.500 2.519 2.051 3.511 . 0 0 "[ . 1 . 2]" 1
368 1 39 HIS HB2 1 40 PHE H 2.500 . 3.500 2.243 1.962 2.938 . 0 0 "[ . 1 . 2]" 1
369 1 39 HIS H 1 40 PHE H 2.500 . 3.500 2.473 2.035 2.784 . 0 0 "[ . 1 . 2]" 1
370 1 40 PHE HA 1 41 PRO QD 2.000 . 2.800 2.002 1.916 2.172 . 0 0 "[ . 1 . 2]" 1
371 1 40 PHE HA 1 41 PRO HD3 2.500 . 3.500 2.211 1.958 2.616 . 0 0 "[ . 1 . 2]" 1
372 1 40 PHE HA 1 41 PRO HD2 2.500 . 3.500 2.397 2.059 2.881 . 0 0 "[ . 1 . 2]" 1
373 1 40 PHE HA 1 41 PRO QG 3.500 . 4.500 3.907 3.810 4.084 . 0 0 "[ . 1 . 2]" 1
374 1 40 PHE HB3 1 41 PRO QD 3.500 . 4.500 2.944 1.997 4.001 0.003 16 0 "[ . 1 . 2]" 1
375 1 40 PHE QD 1 54 LEU MD1 3.500 . 4.500 3.937 3.474 4.509 0.009 9 0 "[ . 1 . 2]" 1
376 1 40 PHE QD 1 54 LEU MD2 3.500 . 4.500 2.831 2.028 3.432 . 0 0 "[ . 1 . 2]" 1
377 1 40 PHE QE 1 54 LEU QB 3.500 . 4.500 4.197 3.738 4.502 0.002 12 0 "[ . 1 . 2]" 1
378 1 40 PHE QE 1 54 LEU QD 2.500 . 3.500 1.900 1.823 2.212 . 0 0 "[ . 1 . 2]" 1
379 1 40 PHE HZ 1 54 LEU QD 5.000 2.500 6.000 3.342 2.654 3.915 . 0 0 "[ . 1 . 2]" 1
380 1 40 PHE QE 1 56 PHE QE 3.500 . 4.500 3.943 3.389 4.437 . 0 0 "[ . 1 . 2]" 1
381 1 40 PHE QE 1 56 PHE HZ 3.500 . 4.500 3.130 2.480 3.857 . 0 0 "[ . 1 . 2]" 1
382 1 40 PHE HZ 1 56 PHE HZ 3.500 . 4.500 2.960 2.115 3.859 . 0 0 "[ . 1 . 2]" 1
383 1 40 PHE QE 1 79 LEU QD 3.500 . 4.500 3.970 3.217 4.461 . 0 0 "[ . 1 . 2]" 1
384 1 40 PHE HZ 1 100 PHE HB3 3.500 . 4.500 3.615 3.071 4.297 . 0 0 "[ . 1 . 2]" 1
385 1 40 PHE QD 1 110 LEU QD 3.500 . 4.500 3.584 2.975 4.348 . 0 0 "[ . 1 . 2]" 1
386 1 40 PHE QE 1 110 LEU QD 2.500 . 3.500 2.320 1.831 3.158 . 0 0 "[ . 1 . 2]" 1
387 1 41 PRO HA 1 42 LEU H 2.000 . 2.800 2.564 2.203 2.801 0.001 19 0 "[ . 1 . 2]" 1
388 1 41 PRO QG 1 42 LEU H 3.500 . 4.500 4.085 3.585 4.502 0.002 11 0 "[ . 1 . 2]" 1
389 1 42 LEU HA 1 43 PRO QD 2.500 . 3.500 2.111 1.908 3.564 0.064 3 0 "[ . 1 . 2]" 1
390 1 42 LEU H 1 43 PRO QD 5.000 2.500 6.000 3.854 2.366 4.408 0.134 3 0 "[ . 1 . 2]" 1
391 1 43 PRO QD 1 77 TYR QE 5.000 2.500 6.000 4.702 2.646 6.003 0.003 11 0 "[ . 1 . 2]" 1
392 1 47 VAL HA 1 48 SER H 2.500 . 3.500 2.721 2.141 3.545 0.045 19 0 "[ . 1 . 2]" 1
393 1 47 VAL HB 1 48 SER H 3.500 . 4.500 3.424 2.193 4.499 . 0 0 "[ . 1 . 2]" 1
394 1 47 VAL QG 1 48 SER H 2.500 . 3.500 2.706 1.842 3.533 0.033 1 0 "[ . 1 . 2]" 1
395 1 47 VAL H 1 48 SER H 3.500 . 4.500 3.505 1.994 4.506 0.006 7 0 "[ . 1 . 2]" 1
396 1 48 SER HA 1 49 VAL H 3.500 . 4.500 3.017 2.139 3.569 . 0 0 "[ . 1 . 2]" 1
397 1 48 SER QB 1 49 VAL H 3.500 . 4.500 2.834 1.998 4.029 0.002 1 0 "[ . 1 . 2]" 1
398 1 49 VAL HA 1 50 LYS H 3.500 . 4.500 2.672 2.140 3.573 . 0 0 "[ . 1 . 2]" 1
399 1 49 VAL HB 1 50 LYS H 3.500 . 4.500 3.611 1.998 4.488 0.002 4 0 "[ . 1 . 2]" 1
400 1 49 VAL QG 1 50 LYS H 2.500 . 3.500 2.561 1.886 3.503 0.003 5 0 "[ . 1 . 2]" 1
401 1 50 LYS HA 1 51 GLY H 2.500 . 3.500 2.873 2.147 3.538 0.038 9 0 "[ . 1 . 2]" 1
402 1 50 LYS HB3 1 51 GLY H 3.500 . 4.500 3.439 1.988 4.507 0.012 1 0 "[ . 1 . 2]" 1
403 1 50 LYS HB2 1 51 GLY H 3.500 . 4.500 3.678 2.164 4.497 . 0 0 "[ . 1 . 2]" 1
404 1 50 LYS H 1 51 GLY H 3.500 . 4.500 3.496 2.254 4.552 0.052 1 0 "[ . 1 . 2]" 1
405 1 51 GLY HA3 1 52 VAL H 2.500 . 3.500 2.895 2.137 3.508 0.008 14 0 "[ . 1 . 2]" 1
406 1 51 GLY HA2 1 52 VAL H 2.500 . 3.500 2.427 2.139 3.226 . 0 0 "[ . 1 . 2]" 1
407 1 51 GLY H 1 52 VAL H 3.500 . 4.500 4.054 2.900 4.501 0.001 19 0 "[ . 1 . 2]" 1
408 1 52 VAL HA 1 53 LEU H 2.000 . 2.800 2.289 2.140 2.649 . 0 0 "[ . 1 . 2]" 1
409 1 52 VAL HB 1 53 LEU H 2.500 . 3.500 3.302 2.267 3.613 0.113 9 0 "[ . 1 . 2]" 1
410 1 52 VAL H 1 53 LEU H 5.000 2.500 6.000 4.413 4.132 4.586 . 0 0 "[ . 1 . 2]" 1
411 1 52 VAL HB 1 54 LEU QD 5.000 2.500 6.000 3.267 2.718 5.023 . 0 0 "[ . 1 . 2]" 1
412 1 52 VAL QG 1 54 LEU QD 3.500 . 4.500 2.721 1.998 3.554 0.002 20 0 "[ . 1 . 2]" 1
413 1 52 VAL MG1 1 54 LEU QD 3.500 . 4.500 3.385 2.006 4.445 . 0 0 "[ . 1 . 2]" 1
414 1 52 VAL MG2 1 54 LEU QD 3.500 . 4.500 3.529 2.183 4.242 . 0 0 "[ . 1 . 2]" 1
415 1 52 VAL HB 1 68 TYR HB3 3.500 . 4.500 3.097 1.992 4.501 0.008 10 0 "[ . 1 . 2]" 1
416 1 52 VAL HB 1 68 TYR HB2 3.500 . 4.500 3.500 2.125 4.508 0.008 7 0 "[ . 1 . 2]" 1
417 1 52 VAL HB 1 68 TYR H 5.000 2.500 6.000 4.270 2.553 5.688 . 0 0 "[ . 1 . 2]" 1
418 1 52 VAL QG 1 68 TYR HB2 3.500 . 4.500 2.905 1.994 3.541 0.006 9 0 "[ . 1 . 2]" 1
419 1 52 VAL QG 1 68 TYR QD 2.000 . 2.800 2.623 2.184 2.807 0.007 16 0 "[ . 1 . 2]" 1
420 1 52 VAL QG 1 68 TYR QE 3.500 . 4.500 4.308 3.770 4.515 0.015 2 0 "[ . 1 . 2]" 1
421 1 52 VAL QG 1 68 TYR H 3.500 . 4.500 3.485 2.492 4.147 . 0 0 "[ . 1 . 2]" 1
422 1 52 VAL MG1 1 68 TYR HB3 3.500 . 4.500 3.944 2.009 4.510 0.010 12 0 "[ . 1 . 2]" 1
423 1 52 VAL MG2 1 68 TYR HB3 3.500 . 4.500 2.469 1.974 4.512 0.026 2 0 "[ . 1 . 2]" 1
424 1 52 VAL H 1 68 TYR HB3 5.000 2.500 6.000 3.593 2.501 4.754 . 0 0 "[ . 1 . 2]" 1
425 1 52 VAL H 1 68 TYR QD 5.000 2.500 6.000 5.093 3.983 5.987 . 0 0 "[ . 1 . 2]" 1
426 1 52 VAL H 1 68 TYR H 3.500 . 4.500 3.903 3.135 4.504 0.004 6 0 "[ . 1 . 2]" 1
427 1 53 LEU HA 1 54 LEU QD 5.000 2.500 6.000 3.225 2.795 3.920 . 0 0 "[ . 1 . 2]" 1
428 1 53 LEU HA 1 54 LEU H 2.000 . 2.800 2.244 2.138 2.378 . 0 0 "[ . 1 . 2]" 1
429 1 53 LEU QB 1 54 LEU H 3.500 . 4.500 3.038 2.469 3.837 . 0 0 "[ . 1 . 2]" 1
430 1 53 LEU HG 1 54 LEU H 5.000 2.500 6.000 4.258 2.707 5.646 . 0 0 "[ . 1 . 2]" 1
431 1 53 LEU HA 1 67 ARG HA 2.500 . 3.500 2.648 2.280 2.937 . 0 0 "[ . 1 . 2]" 1
432 1 53 LEU QB 1 67 ARG HA 3.500 . 4.500 4.350 3.681 4.508 0.008 3 0 "[ . 1 . 2]" 1
433 1 53 LEU QD 1 67 ARG HA 2.500 . 3.500 2.813 1.930 3.503 0.003 6 0 "[ . 1 . 2]" 1
434 1 53 LEU HA 1 68 TYR H 5.000 2.500 6.000 3.027 2.575 3.741 . 0 0 "[ . 1 . 2]" 1
435 1 54 LEU HA 1 55 ASN H 2.000 . 2.800 2.232 2.143 2.455 . 0 0 "[ . 1 . 2]" 1
436 1 54 LEU QB 1 55 ASN H 2.500 . 3.500 2.973 2.280 3.345 . 0 0 "[ . 1 . 2]" 1
437 1 54 LEU QD 1 55 ASN H 3.500 . 4.500 3.907 3.427 4.242 . 0 0 "[ . 1 . 2]" 1
438 1 54 LEU HG 1 55 ASN H 3.500 . 4.500 3.718 3.108 4.510 0.010 9 0 "[ . 1 . 2]" 1
439 1 54 LEU QB 1 56 PHE QD 3.500 . 4.500 3.003 2.474 3.444 . 0 0 "[ . 1 . 2]" 1
440 1 54 LEU QB 1 56 PHE QE 2.500 . 3.500 1.949 1.829 2.106 . 0 0 "[ . 1 . 2]" 1
441 1 54 LEU QB 1 56 PHE HZ 3.500 . 4.500 3.492 3.017 3.895 . 0 0 "[ . 1 . 2]" 1
442 1 54 LEU HB3 1 56 PHE QE 2.500 . 3.500 2.063 1.988 2.194 . 0 0 "[ . 1 . 2]" 1
443 1 54 LEU QD 1 56 PHE QD 3.500 . 4.500 3.974 3.441 4.475 . 0 0 "[ . 1 . 2]" 1
444 1 54 LEU QD 1 56 PHE QE 2.500 . 3.500 2.332 1.905 3.025 . 0 0 "[ . 1 . 2]" 1
445 1 54 LEU HB2 1 56 PHE QE 2.500 . 3.500 2.501 1.995 3.218 . 0 0 "[ . 1 . 2]" 1
446 1 54 LEU QD 1 56 PHE HZ 2.500 . 3.500 2.316 1.983 2.726 . 0 0 "[ . 1 . 2]" 1
447 1 54 LEU HG 1 56 PHE QD 5.000 2.500 6.000 5.470 5.018 5.850 . 0 0 "[ . 1 . 2]" 1
448 1 54 LEU HG 1 56 PHE QE 3.500 . 4.500 4.094 3.745 4.445 . 0 0 "[ . 1 . 2]" 1
449 1 54 LEU HG 1 56 PHE HZ 5.000 2.500 6.000 4.820 4.392 5.546 . 0 0 "[ . 1 . 2]" 1
450 1 54 LEU QD 1 66 PHE QD 5.000 2.500 6.000 4.468 3.577 5.206 . 0 0 "[ . 1 . 2]" 1
451 1 54 LEU H 1 66 PHE H 3.500 . 4.500 3.472 2.829 4.211 . 0 0 "[ . 1 . 2]" 1
452 1 54 LEU H 1 67 ARG HA 5.000 2.500 6.000 3.496 2.790 3.903 . 0 0 "[ . 1 . 2]" 1
453 1 54 LEU QD 1 68 TYR HA 5.000 2.500 6.000 3.702 3.092 4.256 . 0 0 "[ . 1 . 2]" 1
454 1 54 LEU QD 1 68 TYR HB3 2.500 . 3.500 3.248 2.818 3.502 0.002 4 0 "[ . 1 . 2]" 1
455 1 54 LEU QD 1 68 TYR HB2 3.500 . 4.500 2.098 1.991 2.520 0.009 3 0 "[ . 1 . 2]" 1
456 1 54 LEU QD 1 68 TYR QE 5.000 2.500 6.000 3.353 2.877 3.710 . 0 0 "[ . 1 . 2]" 1
457 1 54 LEU QD 1 68 TYR H 5.000 2.500 6.000 3.305 2.785 3.890 . 0 0 "[ . 1 . 2]" 1
458 1 54 LEU MD1 1 68 TYR QD 2.500 . 3.500 2.930 2.251 3.436 . 0 0 "[ . 1 . 2]" 1
459 1 54 LEU MD2 1 68 TYR QD 2.500 . 3.500 3.207 2.456 3.503 0.003 3 0 "[ . 1 . 2]" 1
460 1 54 LEU H 1 68 TYR H 5.000 2.500 6.000 4.090 3.283 4.567 . 0 0 "[ . 1 . 2]" 1
461 1 54 LEU QD 1 79 LEU QD 2.500 . 3.500 2.285 1.653 3.132 . 0 0 "[ . 1 . 2]" 1
462 1 54 LEU HA 1 110 LEU QD 3.500 . 4.500 3.901 2.938 4.503 0.003 3 0 "[ . 1 . 2]" 1
463 1 54 LEU QB 1 110 LEU QD 3.500 . 4.500 3.011 2.106 3.828 . 0 0 "[ . 1 . 2]" 1
464 1 54 LEU QD 1 110 LEU QD 2.000 . 2.800 2.218 1.757 2.797 . 0 0 "[ . 1 . 2]" 1
465 1 54 LEU HG 1 110 LEU QD 3.500 . 4.500 3.010 2.224 3.792 . 0 0 "[ . 1 . 2]" 1
466 1 55 ASN HA 1 56 PHE QD 3.500 . 4.500 3.655 2.842 4.209 . 0 0 "[ . 1 . 2]" 1
467 1 55 ASN HA 1 56 PHE H 2.000 . 2.800 2.165 2.136 2.267 . 0 0 "[ . 1 . 2]" 1
468 1 55 ASN HB3 1 56 PHE H 3.500 . 4.500 3.613 3.061 4.064 . 0 0 "[ . 1 . 2]" 1
469 1 55 ASN H 1 56 PHE H 5.000 2.500 6.000 4.230 3.874 4.527 . 0 0 "[ . 1 . 2]" 1
470 1 55 ASN QD 1 63 VAL MG1 3.500 . 4.500 3.582 2.060 4.463 . 0 0 "[ . 1 . 2]" 1
471 1 55 ASN HA 1 65 ARG HA 3.500 . 4.500 2.747 2.333 3.244 . 0 0 "[ . 1 . 2]" 1
472 1 55 ASN HA 1 65 ARG QG 3.500 . 4.500 3.108 2.497 3.629 . 0 0 "[ . 1 . 2]" 1
473 1 55 ASN HA 1 66 PHE H 3.500 . 4.500 3.808 2.852 4.446 . 0 0 "[ . 1 . 2]" 1
474 1 55 ASN H 1 110 LEU QD 3.500 . 4.500 3.350 2.081 3.965 . 0 0 "[ . 1 . 2]" 1
475 1 56 PHE HA 1 57 GLU H 2.000 . 2.800 2.197 2.140 2.356 . 0 0 "[ . 1 . 2]" 1
476 1 56 PHE QB 1 57 GLU H 5.000 2.500 6.000 3.108 2.518 3.588 . 0 0 "[ . 1 . 2]" 1
477 1 56 PHE H 1 63 VAL QG 5.000 2.500 6.000 3.889 3.474 4.436 . 0 0 "[ . 1 . 2]" 1
478 1 56 PHE H 1 63 VAL MG1 3.500 . 4.500 3.930 3.503 4.496 . 0 0 "[ . 1 . 2]" 1
479 1 56 PHE QB 1 64 TRP HB3 3.500 . 4.500 3.369 2.720 3.819 . 0 0 "[ . 1 . 2]" 1
480 1 56 PHE QB 1 64 TRP H 5.000 2.500 6.000 3.827 3.328 4.192 . 0 0 "[ . 1 . 2]" 1
481 1 56 PHE HB3 1 64 TRP HD1 5.000 2.500 6.000 4.246 3.738 4.757 . 0 0 "[ . 1 . 2]" 1
482 1 56 PHE HB2 1 64 TRP HD1 5.000 2.500 6.000 4.260 3.801 4.803 . 0 0 "[ . 1 . 2]" 1
483 1 56 PHE H 1 64 TRP HB3 3.500 . 4.500 4.359 3.928 4.503 0.003 3 0 "[ . 1 . 2]" 1
484 1 56 PHE H 1 64 TRP H 3.500 . 4.500 3.420 3.024 3.914 . 0 0 "[ . 1 . 2]" 1
485 1 56 PHE QD 1 65 ARG HA 3.500 . 4.500 3.982 3.280 4.461 . 0 0 "[ . 1 . 2]" 1
486 1 56 PHE H 1 65 ARG HA 3.500 . 4.500 3.304 2.779 3.801 . 0 0 "[ . 1 . 2]" 1
487 1 56 PHE QB 1 66 PHE QD 5.000 2.500 6.000 3.299 2.618 3.798 . 0 0 "[ . 1 . 2]" 1
488 1 56 PHE QB 1 66 PHE QE 3.500 . 4.500 2.621 2.049 3.277 . 0 0 "[ . 1 . 2]" 1
489 1 56 PHE QD 1 66 PHE QD 2.500 . 3.500 2.253 1.960 2.734 . 0 0 "[ . 1 . 2]" 1
490 1 56 PHE QD 1 66 PHE QE 3.500 . 4.500 3.409 2.474 3.621 . 0 0 "[ . 1 . 2]" 1
491 1 56 PHE QD 1 66 PHE H 3.500 . 4.500 3.287 2.780 4.040 . 0 0 "[ . 1 . 2]" 1
492 1 56 PHE QE 1 66 PHE HB3 5.000 2.500 6.000 4.577 4.127 5.150 . 0 0 "[ . 1 . 2]" 1
493 1 56 PHE QE 1 66 PHE HB2 3.500 . 4.500 3.033 2.603 3.482 . 0 0 "[ . 1 . 2]" 1
494 1 56 PHE QE 1 66 PHE QD 2.500 . 3.500 2.914 2.378 3.502 0.002 6 0 "[ . 1 . 2]" 1
495 1 56 PHE H 1 66 PHE H 5.000 2.500 6.000 4.132 3.652 4.823 . 0 0 "[ . 1 . 2]" 1
496 1 56 PHE QD 1 79 LEU QD 5.000 2.500 6.000 3.820 3.398 4.134 . 0 0 "[ . 1 . 2]" 1
497 1 56 PHE QE 1 79 LEU QD 3.500 . 4.500 2.543 2.155 2.760 . 0 0 "[ . 1 . 2]" 1
498 1 56 PHE HZ 1 79 LEU QD 2.500 . 3.500 2.774 2.220 3.167 . 0 0 "[ . 1 . 2]" 1
499 1 56 PHE QD 1 100 PHE QD 3.500 . 4.500 2.703 2.223 3.218 . 0 0 "[ . 1 . 2]" 1
500 1 56 PHE QE 1 100 PHE HB3 3.500 . 4.500 2.849 2.324 3.390 . 0 0 "[ . 1 . 2]" 1
501 1 56 PHE QE 1 100 PHE QD 2.500 . 3.500 2.080 1.991 2.261 . 0 0 "[ . 1 . 2]" 1
502 1 56 PHE QE 1 100 PHE QE 3.500 . 4.500 3.442 2.895 3.905 . 0 0 "[ . 1 . 2]" 1
503 1 56 PHE HZ 1 100 PHE QD 3.500 . 4.500 4.034 3.750 4.501 0.001 7 0 "[ . 1 . 2]" 1
504 1 56 PHE HZ 1 100 PHE QE 3.500 . 4.500 4.325 3.938 4.500 . 0 0 "[ . 1 . 2]" 1
505 1 56 PHE HA 1 110 LEU QB 2.500 . 3.500 2.688 2.197 3.148 . 0 0 "[ . 1 . 2]" 1
506 1 56 PHE HA 1 110 LEU QD 5.000 2.500 6.000 4.040 3.271 4.395 . 0 0 "[ . 1 . 2]" 1
507 1 56 PHE QD 1 110 LEU QB 3.500 . 4.500 2.559 2.223 2.846 . 0 0 "[ . 1 . 2]" 1
508 1 56 PHE QD 1 110 LEU QD 3.500 . 4.500 3.384 3.045 4.008 . 0 0 "[ . 1 . 2]" 1
509 1 56 PHE QE 1 110 LEU QB 3.500 . 4.500 2.657 2.174 3.127 . 0 0 "[ . 1 . 2]" 1
510 1 56 PHE QE 1 110 LEU QD 2.500 . 3.500 2.331 1.896 2.993 . 0 0 "[ . 1 . 2]" 1
511 1 56 PHE HZ 1 110 LEU QD 3.500 . 4.500 2.597 2.177 3.480 . 0 0 "[ . 1 . 2]" 1
512 1 56 PHE HA 1 111 TYR HA 5.000 2.500 6.000 3.300 2.855 3.765 . 0 0 "[ . 1 . 2]" 1
513 1 56 PHE QB 1 111 TYR HA 5.000 2.500 6.000 3.292 2.619 3.777 . 0 0 "[ . 1 . 2]" 1
514 1 56 PHE QD 1 111 TYR HA 5.000 2.500 6.000 3.300 2.973 3.634 . 0 0 "[ . 1 . 2]" 1
515 1 56 PHE QD 1 111 TYR H 2.500 . 3.500 2.940 2.463 3.280 . 0 0 "[ . 1 . 2]" 1
516 1 56 PHE QB 1 112 ILE HB 3.500 . 4.500 2.524 2.182 3.507 . 0 0 "[ . 1 . 2]" 1
517 1 56 PHE QB 1 112 ILE MG 2.500 . 3.500 2.617 2.202 3.306 . 0 0 "[ . 1 . 2]" 1
518 1 56 PHE QB 1 112 ILE H 3.500 . 4.500 2.995 2.276 3.996 . 0 0 "[ . 1 . 2]" 1
519 1 56 PHE HB3 1 112 ILE MG 3.500 . 4.500 2.735 2.309 3.409 . 0 0 "[ . 1 . 2]" 1
520 1 56 PHE QD 1 112 ILE HA 5.000 2.500 6.000 3.383 2.960 4.163 . 0 0 "[ . 1 . 2]" 1
521 1 56 PHE QD 1 112 ILE HB 3.500 . 4.500 2.868 2.375 3.538 . 0 0 "[ . 1 . 2]" 1
522 1 56 PHE QD 1 112 ILE MD 3.500 . 4.500 3.989 3.628 4.405 . 0 0 "[ . 1 . 2]" 1
523 1 56 PHE HB2 1 112 ILE MG 3.500 . 4.500 3.408 2.705 4.445 . 0 0 "[ . 1 . 2]" 1
524 1 56 PHE QD 1 112 ILE MG 3.500 . 4.500 3.829 3.458 4.284 . 0 0 "[ . 1 . 2]" 1
525 1 56 PHE QD 1 112 ILE H 5.000 2.500 6.000 3.402 2.785 4.140 . 0 0 "[ . 1 . 2]" 1
526 1 56 PHE QE 1 112 ILE MD 5.000 2.500 6.000 4.600 4.227 4.951 . 0 0 "[ . 1 . 2]" 1
527 1 57 GLU HA 1 58 ASP HA 5.000 2.500 6.000 4.413 4.361 4.467 . 0 0 "[ . 1 . 2]" 1
528 1 57 GLU HA 1 58 ASP H 2.000 . 2.800 2.363 2.201 2.478 . 0 0 "[ . 1 . 2]" 1
529 1 57 GLU HB3 1 58 ASP H 3.500 . 4.500 2.650 2.343 3.152 . 0 0 "[ . 1 . 2]" 1
530 1 57 GLU HB2 1 58 ASP H 3.500 . 4.500 3.980 3.778 4.286 . 0 0 "[ . 1 . 2]" 1
531 1 57 GLU QG 1 58 ASP H 2.500 . 3.500 3.335 3.154 3.500 0.000 10 0 "[ . 1 . 2]" 1
532 1 57 GLU HA 1 63 VAL HA 2.500 . 3.500 2.456 2.047 2.937 . 0 0 "[ . 1 . 2]" 1
533 1 57 GLU HA 1 63 VAL MG1 3.500 . 4.500 3.398 2.585 3.988 . 0 0 "[ . 1 . 2]" 1
534 1 57 GLU HA 1 63 VAL MG2 3.500 . 4.500 3.712 2.929 4.116 . 0 0 "[ . 1 . 2]" 1
535 1 57 GLU QG 1 63 VAL HA 3.500 . 4.500 3.202 2.688 3.716 . 0 0 "[ . 1 . 2]" 1
536 1 57 GLU QG 1 63 VAL MG2 3.500 . 4.500 2.856 2.285 3.411 . 0 0 "[ . 1 . 2]" 1
537 1 57 GLU HA 1 64 TRP HD1 3.500 . 4.500 3.741 3.335 4.122 . 0 0 "[ . 1 . 2]" 1
538 1 57 GLU HA 1 64 TRP HE1 5.000 2.500 6.000 5.754 5.409 6.003 0.003 19 0 "[ . 1 . 2]" 1
539 1 57 GLU HA 1 64 TRP H 3.500 . 4.500 3.220 2.771 3.628 . 0 0 "[ . 1 . 2]" 1
540 1 57 GLU QG 1 109 GLN QE 3.500 . 4.500 2.588 2.001 3.305 . 0 0 "[ . 1 . 2]" 1
541 1 57 GLU H 1 109 GLN QE 3.500 . 4.500 3.788 3.146 4.483 . 0 0 "[ . 1 . 2]" 1
542 1 57 GLU HB3 1 111 TYR HA 5.000 2.500 6.000 4.378 4.098 4.634 . 0 0 "[ . 1 . 2]" 1
543 1 57 GLU HB3 1 111 TYR QD 3.500 . 4.500 2.804 2.396 3.203 . 0 0 "[ . 1 . 2]" 1
544 1 57 GLU HB3 1 111 TYR QE 3.500 . 4.500 2.904 2.261 3.914 . 0 0 "[ . 1 . 2]" 1
545 1 57 GLU HB2 1 111 TYR HA 3.500 . 4.500 3.329 3.041 3.561 . 0 0 "[ . 1 . 2]" 1
546 1 57 GLU HB2 1 111 TYR QE 3.500 . 4.500 2.757 2.250 3.175 . 0 0 "[ . 1 . 2]" 1
547 1 57 GLU H 1 111 TYR HA 2.500 . 3.500 2.237 1.991 2.710 . 0 0 "[ . 1 . 2]" 1
548 1 57 GLU H 1 111 TYR QD 3.500 . 4.500 3.531 2.767 4.021 . 0 0 "[ . 1 . 2]" 1
549 1 57 GLU H 1 111 TYR H 3.500 . 4.500 4.355 4.035 4.504 0.004 7 0 "[ . 1 . 2]" 1
550 1 57 GLU H 1 112 ILE MG 5.000 2.500 6.000 4.274 3.529 4.746 . 0 0 "[ . 1 . 2]" 1
551 1 57 GLU H 1 112 ILE H 3.500 . 4.500 3.650 2.731 4.260 . 0 0 "[ . 1 . 2]" 1
552 1 58 ASP HA 1 59 VAL HA 3.500 . 4.500 4.331 4.309 4.362 . 0 0 "[ . 1 . 2]" 1
553 1 58 ASP HA 1 59 VAL HB 5.000 2.500 6.000 5.398 4.547 5.770 . 0 0 "[ . 1 . 2]" 1
554 1 58 ASP HA 1 59 VAL QG 3.500 . 4.500 3.517 3.295 3.956 . 0 0 "[ . 1 . 2]" 1
555 1 58 ASP HA 1 59 VAL H 2.500 . 3.500 2.187 2.145 2.236 . 0 0 "[ . 1 . 2]" 1
556 1 58 ASP HB3 1 59 VAL H 3.500 . 4.500 3.772 3.483 4.061 . 0 0 "[ . 1 . 2]" 1
557 1 58 ASP HB2 1 59 VAL H 3.500 . 4.500 4.304 4.192 4.469 . 0 0 "[ . 1 . 2]" 1
558 1 58 ASP HA 1 60 ASN H 5.000 2.500 6.000 3.776 3.654 3.887 . 0 0 "[ . 1 . 2]" 1
559 1 58 ASP H 1 60 ASN H 5.000 2.500 6.000 4.855 4.692 5.008 . 0 0 "[ . 1 . 2]" 1
560 1 58 ASP QB 1 61 GLY H 3.500 . 4.500 3.606 2.304 4.054 . 0 0 "[ . 1 . 2]" 1
561 1 58 ASP H 1 61 GLY H 5.000 2.500 6.000 4.645 4.022 5.097 . 0 0 "[ . 1 . 2]" 1
562 1 58 ASP QB 1 62 LYS QB 3.500 . 4.500 2.110 1.989 3.417 0.011 20 0 "[ . 1 . 2]" 1
563 1 58 ASP QB 1 62 LYS H 2.500 . 3.500 2.273 1.963 2.713 . 0 0 "[ . 1 . 2]" 1
564 1 58 ASP H 1 62 LYS H 3.500 . 4.500 2.845 2.561 3.313 . 0 0 "[ . 1 . 2]" 1
565 1 58 ASP H 1 63 VAL HA 3.500 . 4.500 3.449 3.062 3.838 . 0 0 "[ . 1 . 2]" 1
566 1 58 ASP H 1 63 VAL MG2 5.000 2.500 6.000 4.213 3.788 4.640 . 0 0 "[ . 1 . 2]" 1
567 1 58 ASP HA 1 64 TRP HD1 3.500 . 4.500 3.856 3.570 4.133 . 0 0 "[ . 1 . 2]" 1
568 1 58 ASP HA 1 64 TRP HE1 3.500 . 4.500 4.236 3.992 4.477 . 0 0 "[ . 1 . 2]" 1
569 1 58 ASP HB3 1 64 TRP HD1 3.500 . 4.500 4.155 3.810 4.479 . 0 0 "[ . 1 . 2]" 1
570 1 58 ASP HB3 1 64 TRP HE1 3.500 . 4.500 3.361 3.081 3.604 . 0 0 "[ . 1 . 2]" 1
571 1 58 ASP HB2 1 64 TRP HD1 3.500 . 4.500 2.433 2.105 2.737 . 0 0 "[ . 1 . 2]" 1
572 1 58 ASP HB2 1 64 TRP HE1 3.500 . 4.500 2.205 1.997 2.559 0.003 1 0 "[ . 1 . 2]" 1
573 1 58 ASP H 1 64 TRP HD1 3.500 . 4.500 3.843 3.465 4.295 . 0 0 "[ . 1 . 2]" 1
574 1 58 ASP H 1 64 TRP HE1 5.000 2.500 6.000 4.848 4.369 5.259 . 0 0 "[ . 1 . 2]" 1
575 1 58 ASP HA 1 86 PHE QE 5.000 2.500 6.000 5.456 5.117 5.928 . 0 0 "[ . 1 . 2]" 1
576 1 58 ASP HA 1 111 TYR HA 5.000 2.500 6.000 4.930 4.392 5.407 . 0 0 "[ . 1 . 2]" 1
577 1 58 ASP HA 1 112 ILE MG 2.500 . 3.500 3.105 2.732 3.372 . 0 0 "[ . 1 . 2]" 1
578 1 58 ASP HA 1 112 ILE H 3.500 . 4.500 3.875 3.461 4.254 . 0 0 "[ . 1 . 2]" 1
579 1 59 VAL HA 1 60 ASN H 2.500 . 3.500 3.442 3.400 3.464 . 0 0 "[ . 1 . 2]" 1
580 1 59 VAL HB 1 60 ASN H 3.500 . 4.500 3.966 3.142 4.173 . 0 0 "[ . 1 . 2]" 1
581 1 59 VAL QG 1 60 ASN H 2.500 . 3.500 2.389 2.155 3.507 0.007 1 0 "[ . 1 . 2]" 1
582 1 59 VAL H 1 60 ASN H 2.500 . 3.500 2.711 2.634 2.782 . 0 0 "[ . 1 . 2]" 1
583 1 59 VAL H 1 64 TRP HE1 5.000 2.500 6.000 5.729 5.499 6.001 0.001 14 0 "[ . 1 . 2]" 1
584 1 59 VAL QG 1 114 TRP HH2 3.500 . 4.500 3.701 2.792 4.347 . 0 0 "[ . 1 . 2]" 1
585 1 59 VAL H 1 114 TRP HZ3 5.000 2.500 6.000 4.601 3.937 5.279 . 0 0 "[ . 1 . 2]" 1
586 1 60 ASN HA 1 61 GLY H 3.500 . 4.500 3.002 2.836 3.467 . 0 0 "[ . 1 . 2]" 1
587 1 61 GLY QA 1 62 LYS H 3.500 . 4.500 2.583 2.484 2.657 . 0 0 "[ . 1 . 2]" 1
588 1 61 GLY H 1 62 LYS H 2.500 . 3.500 2.789 2.199 3.054 . 0 0 "[ . 1 . 2]" 1
589 1 62 LYS HA 1 63 VAL H 2.000 . 2.800 2.309 2.140 2.490 . 0 0 "[ . 1 . 2]" 1
590 1 62 LYS QB 1 63 VAL H 3.500 . 4.500 3.095 2.398 3.621 . 0 0 "[ . 1 . 2]" 1
591 1 62 LYS QG 1 63 VAL H 3.500 . 4.500 2.840 2.154 4.348 . 0 0 "[ . 1 . 2]" 1
592 1 62 LYS QB 1 64 TRP HE1 3.500 . 4.500 2.789 2.221 4.106 . 0 0 "[ . 1 . 2]" 1
593 1 62 LYS QG 1 64 TRP HD1 5.000 2.500 6.000 5.224 3.829 5.945 . 0 0 "[ . 1 . 2]" 1
594 1 62 LYS QG 1 64 TRP HZ2 3.500 . 4.500 3.967 3.203 4.500 . 14 0 "[ . 1 . 2]" 1
595 1 62 LYS HG3 1 64 TRP HE1 5.000 2.500 6.000 4.818 2.498 5.566 0.002 19 0 "[ . 1 . 2]" 1
596 1 62 LYS HG2 1 64 TRP HE1 5.000 2.500 6.000 4.485 3.470 5.805 . 0 0 "[ . 1 . 2]" 1
597 1 62 LYS H 1 64 TRP HE1 5.000 2.500 6.000 5.218 4.835 5.618 . 0 0 "[ . 1 . 2]" 1
598 1 63 VAL HA 1 64 TRP HD1 3.500 . 4.500 3.830 3.424 4.303 . 0 0 "[ . 1 . 2]" 1
599 1 63 VAL HA 1 64 TRP H 2.000 . 2.800 2.235 2.141 2.358 . 0 0 "[ . 1 . 2]" 1
600 1 63 VAL HB 1 64 TRP H 5.000 2.500 6.000 3.885 3.551 4.327 . 0 0 "[ . 1 . 2]" 1
601 1 63 VAL MG1 1 64 TRP H 2.500 . 3.500 2.286 1.886 3.035 . 0 0 "[ . 1 . 2]" 1
602 1 63 VAL MG2 1 64 TRP H 3.500 . 4.500 4.029 3.884 4.238 . 0 0 "[ . 1 . 2]" 1
603 1 63 VAL H 1 64 TRP H 5.000 2.500 6.000 4.444 4.002 4.582 . 0 0 "[ . 1 . 2]" 1
604 1 64 TRP HA 1 65 ARG H 2.000 . 2.800 2.231 2.137 2.366 . 0 0 "[ . 1 . 2]" 1
605 1 64 TRP HB3 1 65 ARG H 3.500 . 4.500 2.995 2.517 3.723 . 0 0 "[ . 1 . 2]" 1
606 1 64 TRP HE3 1 65 ARG H 3.500 . 4.500 3.464 2.861 4.119 . 0 0 "[ . 1 . 2]" 1
607 1 64 TRP HB3 1 66 PHE QE 3.500 . 4.500 2.887 2.064 3.617 . 0 0 "[ . 1 . 2]" 1
608 1 64 TRP HB2 1 66 PHE HZ 3.500 . 4.500 3.932 3.293 4.430 . 0 0 "[ . 1 . 2]" 1
609 1 64 TRP HE3 1 66 PHE QD 5.000 2.500 6.000 5.035 4.629 5.449 . 0 0 "[ . 1 . 2]" 1
610 1 64 TRP HE3 1 66 PHE QE 3.500 . 4.500 3.580 2.668 4.178 . 0 0 "[ . 1 . 2]" 1
611 1 64 TRP HE3 1 66 PHE HZ 3.500 . 4.500 3.807 2.894 4.503 0.003 1 0 "[ . 1 . 2]" 1
612 1 64 TRP HZ3 1 85 ARG QB 2.500 . 3.500 2.728 2.003 3.425 . 0 0 "[ . 1 . 2]" 1
613 1 64 TRP HZ3 1 85 ARG QD 3.500 . 4.500 3.510 1.997 4.501 0.003 3 0 "[ . 1 . 2]" 1
614 1 64 TRP HD1 1 86 PHE QD 5.000 2.500 6.000 4.751 4.356 5.066 . 0 0 "[ . 1 . 2]" 1
615 1 64 TRP HE1 1 86 PHE QD 5.000 2.500 6.000 3.883 3.505 4.052 . 0 0 "[ . 1 . 2]" 1
616 1 64 TRP HE1 1 86 PHE QE 3.500 . 4.500 3.149 2.727 3.721 . 0 0 "[ . 1 . 2]" 1
617 1 64 TRP HE3 1 86 PHE HA 5.000 2.500 6.000 4.224 3.874 4.662 . 0 0 "[ . 1 . 2]" 1
618 1 64 TRP HE3 1 86 PHE HB2 2.500 . 3.500 3.334 2.923 3.502 0.002 12 0 "[ . 1 . 2]" 1
619 1 64 TRP HE3 1 86 PHE QD 3.500 . 4.500 3.618 3.280 4.056 . 0 0 "[ . 1 . 2]" 1
620 1 64 TRP HH2 1 86 PHE HA 2.500 . 3.500 2.727 2.314 3.181 . 0 0 "[ . 1 . 2]" 1
621 1 64 TRP HH2 1 86 PHE QD 3.500 . 4.500 3.446 3.129 4.102 . 0 0 "[ . 1 . 2]" 1
622 1 64 TRP HZ2 1 86 PHE QE 3.500 . 4.500 3.674 3.261 4.244 . 0 0 "[ . 1 . 2]" 1
623 1 64 TRP HZ3 1 86 PHE HA 2.500 . 3.500 2.767 2.415 3.157 . 0 0 "[ . 1 . 2]" 1
624 1 64 TRP HZ3 1 86 PHE HB2 3.500 . 4.500 3.402 3.065 3.950 . 0 0 "[ . 1 . 2]" 1
625 1 64 TRP HZ3 1 86 PHE QD 3.500 . 4.500 3.629 3.236 4.144 . 0 0 "[ . 1 . 2]" 1
626 1 64 TRP HZ3 1 86 PHE H 3.500 . 4.500 3.680 3.134 4.276 . 0 0 "[ . 1 . 2]" 1
627 1 64 TRP HH2 1 89 GLU QB 2.500 . 3.500 2.097 1.923 2.562 . 0 0 "[ . 1 . 2]" 1
628 1 64 TRP HH2 1 89 GLU QG 2.500 . 3.500 2.394 1.982 3.200 . 0 0 "[ . 1 . 2]" 1
629 1 64 TRP HZ2 1 89 GLU QB 3.500 . 4.500 3.275 2.886 3.684 . 0 0 "[ . 1 . 2]" 1
630 1 64 TRP HZ2 1 89 GLU QG 3.500 . 4.500 3.391 2.392 4.343 . 0 0 "[ . 1 . 2]" 1
631 1 64 TRP HZ3 1 89 GLU QB 3.500 . 4.500 3.608 3.235 4.272 . 0 0 "[ . 1 . 2]" 1
632 1 64 TRP HZ2 1 90 LYS QE 2.500 . 3.500 2.639 1.983 3.493 . 0 0 "[ . 1 . 2]" 1
633 1 64 TRP HZ2 1 90 LYS HG3 5.000 2.500 6.000 4.416 3.582 5.065 . 0 0 "[ . 1 . 2]" 1
634 1 64 TRP HZ2 1 90 LYS HG2 5.000 2.500 6.000 3.633 2.758 4.336 . 0 0 "[ . 1 . 2]" 1
635 1 64 TRP HB3 1 112 ILE MG 3.500 . 4.500 4.118 3.242 4.500 . 0 0 "[ . 1 . 2]" 1
636 1 64 TRP HB2 1 112 ILE MG 3.500 . 4.500 3.306 2.485 3.779 . 0 0 "[ . 1 . 2]" 1
637 1 64 TRP HD1 1 112 ILE MD 5.000 2.500 6.000 5.107 4.406 5.698 . 0 0 "[ . 1 . 2]" 1
638 1 64 TRP HD1 1 112 ILE MG 2.500 . 3.500 2.794 2.279 3.272 . 0 0 "[ . 1 . 2]" 1
639 1 64 TRP HE1 1 112 ILE MG 3.500 . 4.500 3.712 3.304 4.333 . 0 0 "[ . 1 . 2]" 1
640 1 64 TRP HE1 1 114 TRP HZ3 5.000 2.500 6.000 4.452 3.681 5.217 . 0 0 "[ . 1 . 2]" 1
641 1 65 ARG HA 1 66 PHE H 2.000 . 2.800 2.167 2.139 2.233 . 0 0 "[ . 1 . 2]" 1
642 1 65 ARG HB3 1 66 PHE H 3.500 . 4.500 3.604 3.164 3.998 . 0 0 "[ . 1 . 2]" 1
643 1 65 ARG H 1 66 PHE H 5.000 2.500 6.000 4.139 3.784 4.437 . 0 0 "[ . 1 . 2]" 1
644 1 66 PHE HA 1 67 ARG H 2.000 . 2.800 2.397 2.160 2.642 . 0 0 "[ . 1 . 2]" 1
645 1 66 PHE HB3 1 67 ARG H 3.500 . 4.500 2.506 1.998 3.259 0.002 2 0 "[ . 1 . 2]" 1
646 1 66 PHE QD 1 67 ARG H 3.500 . 4.500 3.827 3.489 4.145 . 0 0 "[ . 1 . 2]" 1
647 1 66 PHE HA 1 79 LEU MD1 5.000 2.500 6.000 5.539 5.218 6.007 0.007 1 0 "[ . 1 . 2]" 1
648 1 66 PHE HA 1 79 LEU MD2 5.000 2.500 6.000 4.088 3.832 4.743 . 0 0 "[ . 1 . 2]" 1
649 1 66 PHE HB3 1 79 LEU QB 5.000 2.500 6.000 2.692 2.489 3.105 0.011 7 0 "[ . 1 . 2]" 1
650 1 66 PHE HB3 1 79 LEU MD1 3.500 . 4.500 3.582 3.267 4.131 . 0 0 "[ . 1 . 2]" 1
651 1 66 PHE HB3 1 79 LEU MD2 3.500 . 4.500 2.208 1.995 2.890 0.005 5 0 "[ . 1 . 2]" 1
652 1 66 PHE HB2 1 79 LEU QD 3.500 . 4.500 2.120 1.996 2.628 0.004 2 0 "[ . 1 . 2]" 1
653 1 66 PHE QD 1 79 LEU QD 2.500 . 3.500 2.849 2.018 3.377 . 0 0 "[ . 1 . 2]" 1
654 1 66 PHE QE 1 79 LEU QD 3.500 . 4.500 4.066 3.449 4.472 . 0 0 "[ . 1 . 2]" 1
655 1 66 PHE HA 1 82 GLY QA 5.000 2.500 6.000 2.982 2.496 3.510 0.004 6 0 "[ . 1 . 2]" 1
656 1 66 PHE QD 1 82 GLY QA 3.500 . 4.500 2.191 1.991 2.615 0.009 3 0 "[ . 1 . 2]" 1
657 1 66 PHE QD 1 82 GLY HA3 3.500 . 4.500 2.205 2.001 2.637 . 0 0 "[ . 1 . 2]" 1
658 1 66 PHE QD 1 82 GLY HA2 3.500 . 4.500 3.812 3.506 4.322 . 0 0 "[ . 1 . 2]" 1
659 1 66 PHE QE 1 82 GLY QA 5.000 2.500 6.000 3.038 2.688 3.401 . 0 0 "[ . 1 . 2]" 1
660 1 66 PHE QD 1 83 TRP HA 3.500 . 4.500 3.916 3.293 4.366 . 0 0 "[ . 1 . 2]" 1
661 1 66 PHE QD 1 83 TRP HE3 5.000 2.500 6.000 3.984 3.291 4.433 . 0 0 "[ . 1 . 2]" 1
662 1 66 PHE QD 1 83 TRP H 5.000 2.500 6.000 3.233 2.535 3.936 . 0 0 "[ . 1 . 2]" 1
663 1 66 PHE QE 1 83 TRP HA 3.500 . 4.500 2.911 2.269 3.844 . 0 0 "[ . 1 . 2]" 1
664 1 66 PHE QE 1 83 TRP HE3 3.500 . 4.500 3.226 2.000 3.888 . 0 0 "[ . 1 . 2]" 1
665 1 66 PHE QE 1 83 TRP H 5.000 2.500 6.000 3.873 3.191 4.766 . 0 0 "[ . 1 . 2]" 1
666 1 66 PHE QE 1 83 TRP HZ3 3.500 . 4.500 3.998 3.588 4.500 0.000 12 0 "[ . 1 . 2]" 1
667 1 66 PHE HZ 1 83 TRP HA 5.000 2.500 6.000 4.412 3.901 5.121 . 0 0 "[ . 1 . 2]" 1
668 1 66 PHE HZ 1 83 TRP HE3 3.500 . 4.500 3.891 3.034 4.468 . 0 0 "[ . 1 . 2]" 1
669 1 66 PHE HZ 1 83 TRP HZ3 3.500 . 4.500 4.095 3.252 4.502 0.002 8 0 "[ . 1 . 2]" 1
670 1 66 PHE QE 1 86 PHE HB2 2.500 . 3.500 2.599 2.004 3.132 . 0 0 "[ . 1 . 2]" 1
671 1 66 PHE QE 1 86 PHE H 3.500 . 4.500 3.846 3.423 4.248 . 0 0 "[ . 1 . 2]" 1
672 1 66 PHE HZ 1 86 PHE HB3 3.500 . 4.500 3.660 3.260 4.225 . 0 0 "[ . 1 . 2]" 1
673 1 66 PHE HZ 1 86 PHE HB2 2.500 . 3.500 2.747 2.338 3.302 . 0 0 "[ . 1 . 2]" 1
674 1 66 PHE HZ 1 86 PHE QD 2.500 . 3.500 3.235 2.772 3.501 0.001 2 0 "[ . 1 . 2]" 1
675 1 66 PHE QD 1 112 ILE MD 3.500 . 4.500 3.989 3.535 4.501 0.001 7 0 "[ . 1 . 2]" 1
676 1 66 PHE QE 1 112 ILE HB 5.000 2.500 6.000 3.294 2.700 4.039 . 0 0 "[ . 1 . 2]" 1
677 1 66 PHE QE 1 112 ILE MD 2.500 . 3.500 2.415 1.931 3.213 . 0 0 "[ . 1 . 2]" 1
678 1 66 PHE QE 1 112 ILE MG 3.500 . 4.500 3.331 2.833 3.811 . 0 0 "[ . 1 . 2]" 1
679 1 66 PHE HZ 1 112 ILE MG 3.500 . 4.500 3.764 3.154 4.367 . 0 0 "[ . 1 . 2]" 1
680 1 67 ARG HA 1 68 TYR H 2.500 . 3.500 2.159 2.133 2.214 . 0 0 "[ . 1 . 2]" 1
681 1 67 ARG HB2 1 68 TYR H 5.000 2.500 6.000 4.321 3.978 4.560 . 0 0 "[ . 1 . 2]" 1
682 1 67 ARG H 1 80 THR H 3.500 . 4.500 4.043 3.352 4.504 0.004 13 0 "[ . 1 . 2]" 1
683 1 67 ARG HB3 1 81 LYS HB3 5.000 2.500 6.000 4.096 3.552 4.876 . 0 0 "[ . 1 . 2]" 1
684 1 67 ARG H 1 81 LYS HB3 3.500 . 4.500 3.166 2.576 3.874 . 0 0 "[ . 1 . 2]" 1
685 1 67 ARG H 1 81 LYS HB2 5.000 2.500 6.000 4.354 3.274 5.264 . 0 0 "[ . 1 . 2]" 1
686 1 68 TYR HA 1 69 SER H 2.500 . 3.500 2.176 2.137 2.259 . 0 0 "[ . 1 . 2]" 1
687 1 68 TYR HB3 1 69 SER H 3.500 . 4.500 3.944 3.463 4.342 . 0 0 "[ . 1 . 2]" 1
688 1 68 TYR QD 1 69 SER H 3.500 . 4.500 3.598 3.348 4.146 . 0 0 "[ . 1 . 2]" 1
689 1 68 TYR QE 1 77 TYR QB 3.500 . 4.500 2.959 2.539 3.592 . 0 0 "[ . 1 . 2]" 1
690 1 68 TYR HA 1 78 VAL MG2 5.000 2.500 6.000 4.775 4.242 5.185 . 0 0 "[ . 1 . 2]" 1
691 1 68 TYR HA 1 79 LEU HA 3.500 . 4.500 2.942 2.586 3.407 . 0 0 "[ . 1 . 2]" 1
692 1 68 TYR HA 1 79 LEU QD 2.500 . 3.500 2.377 1.952 3.070 . 0 0 "[ . 1 . 2]" 1
693 1 68 TYR QD 1 79 LEU HA 3.500 . 4.500 3.447 3.046 3.790 . 0 0 "[ . 1 . 2]" 1
694 1 68 TYR QD 1 79 LEU QB 3.500 . 4.500 4.308 3.897 4.535 0.035 1 0 "[ . 1 . 2]" 1
695 1 68 TYR QD 1 79 LEU QD 2.000 . 2.800 1.934 1.803 2.188 . 0 0 "[ . 1 . 2]" 1
696 1 68 TYR H 1 79 LEU QD 3.500 . 4.500 3.643 3.198 4.516 0.016 1 0 "[ . 1 . 2]" 1
697 1 68 TYR HA 1 80 THR H 3.500 . 4.500 4.029 3.696 4.383 . 0 0 "[ . 1 . 2]" 1
698 1 69 SER HA 1 70 TYR H 2.500 . 3.500 2.392 2.137 2.599 . 0 0 "[ . 1 . 2]" 1
699 1 69 SER QB 1 70 TYR H 3.500 . 4.500 2.732 2.012 3.482 . 0 0 "[ . 1 . 2]" 1
700 1 69 SER HB3 1 70 TYR H 3.500 . 4.500 3.031 2.155 3.796 . 0 0 "[ . 1 . 2]" 1
701 1 69 SER HB2 1 70 TYR H 3.500 . 4.500 3.606 2.030 4.508 0.008 10 0 "[ . 1 . 2]" 1
702 1 69 SER H 1 70 TYR H 5.000 2.500 6.000 4.444 4.253 4.565 . 0 0 "[ . 1 . 2]" 1
703 1 69 SER QB 1 71 TRP HD1 3.500 . 4.500 3.234 2.658 4.114 . 0 0 "[ . 1 . 2]" 1
704 1 69 SER QB 1 71 TRP HE1 5.000 2.500 6.000 3.396 2.880 5.097 . 0 0 "[ . 1 . 2]" 1
705 1 69 SER HB3 1 78 VAL MG2 3.500 . 4.500 2.887 1.988 4.500 0.012 8 0 "[ . 1 . 2]" 1
706 1 69 SER HB2 1 78 VAL MG2 3.500 . 4.500 2.871 1.996 4.432 0.004 4 0 "[ . 1 . 2]" 1
707 1 69 SER H 1 78 VAL MG2 3.500 . 4.500 3.206 2.730 3.508 . 0 0 "[ . 1 . 2]" 1
708 1 69 SER H 1 78 VAL H 3.500 . 4.500 3.333 2.312 4.253 . 0 0 "[ . 1 . 2]" 1
709 1 69 SER H 1 79 LEU HA 5.000 2.500 6.000 3.452 2.519 4.392 . 0 0 "[ . 1 . 2]" 1
710 1 69 SER H 1 80 THR H 3.500 . 4.500 3.788 2.755 4.505 0.005 5 0 "[ . 1 . 2]" 1
711 1 70 TYR QB 1 71 TRP H 5.000 2.500 6.000 3.738 3.379 3.981 . 0 0 "[ . 1 . 2]" 1
712 1 70 TYR QD 1 71 TRP H 5.000 2.500 6.000 3.026 2.474 4.251 0.026 8 0 "[ . 1 . 2]" 1
713 1 70 TYR H 1 71 TRP HD1 5.000 2.500 6.000 3.724 3.059 4.631 . 0 0 "[ . 1 . 2]" 1
714 1 70 TYR QD 1 74 SER HA 5.000 2.500 6.000 3.370 2.489 5.418 0.011 5 0 "[ . 1 . 2]" 1
715 1 70 TYR QE 1 74 SER HA 2.500 . 3.500 2.958 2.053 3.547 0.047 4 0 "[ . 1 . 2]" 1
716 1 70 TYR QE 1 74 SER QB 3.500 . 4.500 3.491 1.970 4.556 0.056 9 0 "[ . 1 . 2]" 1
717 1 70 TYR QE 1 75 GLN HA 3.500 . 4.500 3.435 2.403 4.522 0.022 8 0 "[ . 1 . 2]" 1
718 1 70 TYR QE 1 75 GLN QB 3.500 . 4.500 4.345 3.622 4.536 0.036 17 0 "[ . 1 . 2]" 1
719 1 70 TYR QE 1 76 SER HA 5.000 2.500 6.000 4.862 3.787 6.024 0.024 2 0 "[ . 1 . 2]" 1
720 1 70 TYR QD 1 77 TYR QD 3.500 . 4.500 3.865 2.955 4.334 . 0 0 "[ . 1 . 2]" 1
721 1 70 TYR QD 1 77 TYR QE 3.500 . 4.500 3.746 2.199 4.506 0.006 16 0 "[ . 1 . 2]" 1
722 1 70 TYR QE 1 77 TYR QD 3.500 . 4.500 3.760 2.866 4.509 0.009 6 0 "[ . 1 . 2]" 1
723 1 70 TYR QE 1 77 TYR QE 3.500 . 4.500 2.771 1.994 3.139 0.006 2 0 "[ . 1 . 2]" 1
724 1 70 TYR HA 1 78 VAL H 3.500 . 4.500 3.748 3.213 4.506 0.006 6 0 "[ . 1 . 2]" 1
725 1 71 TRP H 1 76 SER H 3.500 . 4.500 4.122 3.089 4.529 0.029 4 0 "[ . 1 . 2]" 1
726 1 71 TRP HB3 1 78 VAL MG2 3.500 . 4.500 3.606 3.074 4.502 0.002 18 0 "[ . 1 . 2]" 1
727 1 71 TRP HB2 1 78 VAL MG2 3.500 . 4.500 2.407 1.994 3.482 0.006 7 0 "[ . 1 . 2]" 1
728 1 71 TRP HD1 1 78 VAL MG1 5.000 2.500 6.000 4.449 3.874 5.298 . 0 0 "[ . 1 . 2]" 1
729 1 71 TRP HD1 1 78 VAL MG2 3.500 . 4.500 2.824 2.375 3.663 . 0 0 "[ . 1 . 2]" 1
730 1 71 TRP HE1 1 78 VAL MG2 3.500 . 4.500 3.028 2.513 3.979 . 0 0 "[ . 1 . 2]" 1
731 1 71 TRP HE3 1 78 VAL MG1 3.500 . 4.500 2.863 2.166 3.897 . 0 0 "[ . 1 . 2]" 1
732 1 71 TRP HE3 1 78 VAL MG2 3.500 . 4.500 3.728 2.865 4.116 . 0 0 "[ . 1 . 2]" 1
733 1 71 TRP HH2 1 78 VAL MG1 5.000 2.500 6.000 4.729 3.176 5.987 . 0 0 "[ . 1 . 2]" 1
734 1 71 TRP HH2 1 78 VAL MG2 5.000 2.500 6.000 4.758 3.746 5.235 . 0 0 "[ . 1 . 2]" 1
735 1 71 TRP HZ2 1 78 VAL MG1 5.000 2.500 6.000 4.948 3.862 6.006 0.006 4 0 "[ . 1 . 2]" 1
736 1 71 TRP HZ2 1 78 VAL MG2 3.500 . 4.500 3.859 2.976 4.394 . 0 0 "[ . 1 . 2]" 1
737 1 71 TRP HZ3 1 78 VAL MG1 5.000 2.500 6.000 3.836 2.721 5.182 . 0 0 "[ . 1 . 2]" 1
738 1 71 TRP HZ3 1 78 VAL MG2 5.000 2.500 6.000 4.724 4.045 5.257 . 0 0 "[ . 1 . 2]" 1
739 1 71 TRP HE1 1 80 THR MG 3.500 . 4.500 3.237 2.583 4.508 0.008 4 0 "[ . 1 . 2]" 1
740 1 71 TRP HH2 1 80 THR MG 3.500 . 4.500 4.363 3.378 4.507 0.007 18 0 "[ . 1 . 2]" 1
741 1 71 TRP HZ2 1 80 THR HB 5.000 2.500 6.000 5.263 4.601 5.677 . 0 0 "[ . 1 . 2]" 1
742 1 71 TRP HZ2 1 80 THR MG 2.500 . 3.500 3.104 2.553 3.511 0.011 1 0 "[ . 1 . 2]" 1
743 1 74 SER HA 1 75 GLN H 3.500 . 4.500 3.076 2.639 3.569 . 0 0 "[ . 1 . 2]" 1
744 1 75 GLN HA 1 76 SER H 3.500 . 4.500 3.325 2.592 3.582 . 0 0 "[ . 1 . 2]" 1
745 1 75 GLN QB 1 76 SER H 3.500 . 4.500 2.847 1.989 4.007 0.011 13 0 "[ . 1 . 2]" 1
746 1 75 GLN H 1 76 SER H 2.500 . 3.500 2.895 2.365 3.548 0.048 9 0 "[ . 1 . 2]" 1
747 1 75 GLN HA 1 77 TYR QE 3.500 . 4.500 4.371 3.732 4.523 0.023 8 0 "[ . 1 . 2]" 1
748 1 76 SER HA 1 77 TYR QD 5.000 2.500 6.000 3.083 2.488 4.731 0.012 8 0 "[ . 1 . 2]" 1
749 1 76 SER HA 1 77 TYR H 3.500 . 4.500 2.284 2.130 2.478 . 0 0 "[ . 1 . 2]" 1
750 1 76 SER HB3 1 77 TYR H 3.500 . 4.500 3.059 2.433 4.036 . 0 0 "[ . 1 . 2]" 1
751 1 76 SER HB2 1 77 TYR H 5.000 2.500 6.000 3.791 3.050 4.617 . 0 0 "[ . 1 . 2]" 1
752 1 76 SER HB3 1 78 VAL MG1 3.500 . 4.500 3.913 3.174 4.501 0.001 15 0 "[ . 1 . 2]" 1
753 1 76 SER HB2 1 78 VAL MG1 3.500 . 4.500 3.963 3.239 4.518 0.018 1 0 "[ . 1 . 2]" 1
754 1 77 TYR QB 1 78 VAL H 5.000 2.500 6.000 2.951 2.490 3.755 0.010 17 0 "[ . 1 . 2]" 1
755 1 78 VAL HA 1 79 LEU HG 5.000 2.500 6.000 4.389 3.975 5.883 . 0 0 "[ . 1 . 2]" 1
756 1 78 VAL HA 1 79 LEU H 2.500 . 3.500 2.301 2.199 2.421 . 0 0 "[ . 1 . 2]" 1
757 1 78 VAL HB 1 79 LEU H 2.500 . 3.500 2.640 2.320 2.980 . 0 0 "[ . 1 . 2]" 1
758 1 78 VAL MG1 1 79 LEU H 3.500 . 4.500 3.577 3.313 3.776 . 0 0 "[ . 1 . 2]" 1
759 1 78 VAL MG2 1 79 LEU H 3.500 . 4.500 3.771 3.542 4.043 . 0 0 "[ . 1 . 2]" 1
760 1 78 VAL MG2 1 80 THR MG 2.000 . 2.800 2.443 2.122 2.745 . 0 0 "[ . 1 . 2]" 1
761 1 79 LEU HA 1 80 THR MG 3.500 . 4.500 3.941 3.660 4.122 . 0 0 "[ . 1 . 2]" 1
762 1 79 LEU HA 1 80 THR H 2.500 . 3.500 2.245 2.188 2.304 . 0 0 "[ . 1 . 2]" 1
763 1 79 LEU QD 1 80 THR H 3.500 . 4.500 3.652 3.448 4.045 . 0 0 "[ . 1 . 2]" 1
764 1 79 LEU H 1 80 THR H 5.000 2.500 6.000 3.920 3.705 4.078 . 0 0 "[ . 1 . 2]" 1
765 1 79 LEU QB 1 83 TRP HE3 5.000 2.500 6.000 4.197 3.739 4.329 . 0 0 "[ . 1 . 2]" 1
766 1 79 LEU QD 1 83 TRP HE3 3.500 . 4.500 4.369 4.074 4.510 0.010 8 0 "[ . 1 . 2]" 1
767 1 79 LEU QD 1 83 TRP HH2 5.000 2.500 6.000 5.610 5.265 5.832 . 0 0 "[ . 1 . 2]" 1
768 1 79 LEU QD 1 83 TRP HZ3 3.500 . 4.500 4.416 4.101 4.506 0.006 1 0 "[ . 1 . 2]" 1
769 1 79 LEU QD 1 100 PHE QD 3.500 . 4.500 4.316 4.026 4.506 0.006 8 0 "[ . 1 . 2]" 1
770 1 79 LEU QD 1 100 PHE QE 3.500 . 4.500 3.389 3.036 3.615 . 0 0 "[ . 1 . 2]" 1
771 1 79 LEU QD 1 100 PHE HZ 2.500 . 3.500 3.267 2.683 3.500 0.000 8 0 "[ . 1 . 2]" 1
772 1 80 THR HA 1 81 LYS H 3.500 . 4.500 2.444 2.297 2.664 . 0 0 "[ . 1 . 2]" 1
773 1 80 THR HB 1 81 LYS H 3.500 . 4.500 2.354 2.032 2.693 . 0 0 "[ . 1 . 2]" 1
774 1 80 THR MG 1 81 LYS H 3.500 . 4.500 3.754 3.578 3.943 . 0 0 "[ . 1 . 2]" 1
775 1 80 THR HA 1 83 TRP HB2 3.500 . 4.500 3.790 2.899 4.462 . 0 0 "[ . 1 . 2]" 1
776 1 81 LYS HA 1 82 GLY H 3.500 . 4.500 2.368 2.141 3.574 . 0 0 "[ . 1 . 2]" 1
777 1 81 LYS HB2 1 82 GLY H 5.000 2.500 6.000 4.269 3.260 4.618 . 0 0 "[ . 1 . 2]" 1
778 1 81 LYS QG 1 82 GLY H 3.500 . 4.500 2.974 2.634 3.606 . 0 0 "[ . 1 . 2]" 1
779 1 81 LYS H 1 83 TRP H 5.000 2.500 6.000 3.812 3.732 3.950 . 0 0 "[ . 1 . 2]" 1
780 1 82 GLY QA 1 83 TRP H 5.000 2.500 6.000 2.808 2.724 2.861 . 0 0 "[ . 1 . 2]" 1
781 1 82 GLY H 1 84 SER H 5.000 2.500 6.000 3.644 3.046 4.695 . 0 0 "[ . 1 . 2]" 1
782 1 83 TRP HA 1 84 SER H 5.000 2.500 6.000 3.541 3.489 3.565 . 0 0 "[ . 1 . 2]" 1
783 1 83 TRP HB3 1 84 SER H 3.500 . 4.500 2.538 2.323 2.850 . 0 0 "[ . 1 . 2]" 1
784 1 83 TRP HB2 1 84 SER H 3.500 . 4.500 3.707 3.478 3.938 . 0 0 "[ . 1 . 2]" 1
785 1 83 TRP HD1 1 84 SER H 5.000 2.500 6.000 4.496 4.122 4.806 . 0 0 "[ . 1 . 2]" 1
786 1 83 TRP H 1 84 SER H 3.500 . 4.500 2.739 2.630 2.880 . 0 0 "[ . 1 . 2]" 1
787 1 83 TRP HA 1 86 PHE HB2 3.500 . 4.500 3.598 3.392 3.803 . 0 0 "[ . 1 . 2]" 1
788 1 83 TRP HA 1 86 PHE H 5.000 2.500 6.000 3.479 3.309 3.654 . 0 0 "[ . 1 . 2]" 1
789 1 83 TRP HE3 1 86 PHE HB3 3.500 . 4.500 3.517 3.274 3.903 . 0 0 "[ . 1 . 2]" 1
790 1 83 TRP HE3 1 86 PHE HB2 5.000 2.500 6.000 4.338 4.025 4.727 . 0 0 "[ . 1 . 2]" 1
791 1 83 TRP HE3 1 86 PHE QD 3.500 . 4.500 3.731 3.204 4.231 . 0 0 "[ . 1 . 2]" 1
792 1 83 TRP HH2 1 86 PHE QD 3.500 . 4.500 4.048 3.592 4.354 . 0 0 "[ . 1 . 2]" 1
793 1 83 TRP HH2 1 86 PHE QE 3.500 . 4.500 3.725 3.063 4.266 . 0 0 "[ . 1 . 2]" 1
794 1 83 TRP HZ3 1 86 PHE HB2 5.000 2.500 6.000 5.204 4.845 5.714 . 0 0 "[ . 1 . 2]" 1
795 1 83 TRP HZ3 1 86 PHE QD 3.500 . 4.500 3.377 2.809 3.823 . 0 0 "[ . 1 . 2]" 1
796 1 83 TRP HZ3 1 86 PHE QE 3.500 . 4.500 3.769 3.297 4.295 . 0 0 "[ . 1 . 2]" 1
797 1 83 TRP HD1 1 87 VAL MG2 3.500 . 4.500 3.082 2.651 3.467 . 0 0 "[ . 1 . 2]" 1
798 1 83 TRP HE1 1 87 VAL HB 5.000 2.500 6.000 5.417 4.952 5.728 . 0 0 "[ . 1 . 2]" 1
799 1 83 TRP HE1 1 87 VAL MG1 5.000 2.500 6.000 4.276 3.788 4.595 . 0 0 "[ . 1 . 2]" 1
800 1 83 TRP HE1 1 87 VAL MG2 2.500 . 3.500 2.879 2.483 3.185 . 0 0 "[ . 1 . 2]" 1
801 1 83 TRP HE3 1 87 VAL MG2 5.000 2.500 6.000 3.953 3.677 4.266 . 0 0 "[ . 1 . 2]" 1
802 1 83 TRP HH2 1 87 VAL MG2 3.500 . 4.500 4.331 4.069 4.507 0.007 18 0 "[ . 1 . 2]" 1
803 1 83 TRP HZ2 1 87 VAL MG2 3.500 . 4.500 3.447 3.173 3.718 . 0 0 "[ . 1 . 2]" 1
804 1 83 TRP HH2 1 92 LEU QD 2.500 . 3.500 2.867 2.450 3.270 . 0 0 "[ . 1 . 2]" 1
805 1 83 TRP HZ2 1 92 LEU QD 2.500 . 3.500 2.576 2.166 3.008 . 0 0 "[ . 1 . 2]" 1
806 1 83 TRP HZ3 1 92 LEU QD 5.000 2.500 6.000 4.135 3.605 4.477 . 0 0 "[ . 1 . 2]" 1
807 1 83 TRP HH2 1 98 VAL HB 5.000 2.500 6.000 4.368 3.944 4.645 . 0 0 "[ . 1 . 2]" 1
808 1 83 TRP HH2 1 98 VAL MG1 3.500 . 4.500 2.396 2.035 2.610 . 0 0 "[ . 1 . 2]" 1
809 1 83 TRP HH2 1 98 VAL MG2 2.500 . 3.500 2.345 2.056 2.535 . 0 0 "[ . 1 . 2]" 1
810 1 83 TRP HZ2 1 98 VAL HB 5.000 2.500 6.000 5.425 4.830 5.774 . 0 0 "[ . 1 . 2]" 1
811 1 83 TRP HZ3 1 98 VAL MG1 3.500 . 4.500 3.403 2.999 3.585 . 0 0 "[ . 1 . 2]" 1
812 1 83 TRP HZ3 1 98 VAL MG2 3.500 . 4.500 4.350 4.090 4.503 0.003 7 0 "[ . 1 . 2]" 1
813 1 83 TRP HH2 1 100 PHE HZ 5.000 2.500 6.000 3.915 3.361 4.196 . 0 0 "[ . 1 . 2]" 1
814 1 83 TRP HZ3 1 100 PHE HZ 3.500 . 4.500 3.340 2.927 3.820 . 0 0 "[ . 1 . 2]" 1
815 1 83 TRP HE3 1 112 ILE MD 3.500 . 4.500 3.866 3.549 4.345 . 0 0 "[ . 1 . 2]" 1
816 1 83 TRP HH2 1 112 ILE MD 3.500 . 4.500 3.358 2.732 3.898 . 0 0 "[ . 1 . 2]" 1
817 1 83 TRP HZ3 1 112 ILE MD 2.500 . 3.500 2.248 1.889 2.751 . 0 0 "[ . 1 . 2]" 1
818 1 84 SER HA 1 85 ARG H 3.500 . 4.500 3.548 3.495 3.574 . 0 0 "[ . 1 . 2]" 1
819 1 84 SER QB 1 85 ARG H 3.500 . 4.500 2.778 2.016 3.325 . 0 0 "[ . 1 . 2]" 1
820 1 84 SER H 1 85 ARG H 3.500 . 4.500 2.768 2.641 3.029 . 0 0 "[ . 1 . 2]" 1
821 1 84 SER HA 1 86 PHE H 5.000 2.500 6.000 4.331 3.937 4.692 . 0 0 "[ . 1 . 2]" 1
822 1 84 SER H 1 86 PHE H 5.000 2.500 6.000 4.055 3.892 4.243 . 0 0 "[ . 1 . 2]" 1
823 1 84 SER HA 1 87 VAL HA 5.000 2.500 6.000 5.757 5.575 5.955 . 0 0 "[ . 1 . 2]" 1
824 1 84 SER HA 1 87 VAL HB 2.500 . 3.500 3.115 2.937 3.229 . 0 0 "[ . 1 . 2]" 1
825 1 84 SER HA 1 87 VAL MG1 3.500 . 4.500 4.457 4.316 4.509 0.009 14 0 "[ . 1 . 2]" 1
826 1 84 SER HA 1 87 VAL MG2 2.500 . 3.500 3.212 2.877 3.498 . 0 0 "[ . 1 . 2]" 1
827 1 84 SER HA 1 87 VAL H 3.500 . 4.500 3.812 3.623 4.123 . 0 0 "[ . 1 . 2]" 1
828 1 84 SER QB 1 87 VAL MG2 5.000 2.500 6.000 4.761 4.543 5.071 . 0 0 "[ . 1 . 2]" 1
829 1 84 SER QB 1 87 VAL H 5.000 2.500 6.000 5.280 5.062 5.551 . 0 0 "[ . 1 . 2]" 1
830 1 84 SER HA 1 88 LYS H 5.000 2.500 6.000 4.088 3.754 4.356 . 0 0 "[ . 1 . 2]" 1
831 1 85 ARG HA 1 86 PHE H 3.500 . 4.500 3.511 3.471 3.553 . 0 0 "[ . 1 . 2]" 1
832 1 85 ARG QB 1 86 PHE H 3.500 . 4.500 2.769 2.504 3.418 . 0 0 "[ . 1 . 2]" 1
833 1 85 ARG H 1 86 PHE H 2.000 . 2.800 2.627 2.439 2.741 . 0 0 "[ . 1 . 2]" 1
834 1 85 ARG HA 1 88 LYS QB 2.500 . 3.500 2.868 2.512 3.219 . 0 0 "[ . 1 . 2]" 1
835 1 85 ARG HA 1 88 LYS H 3.500 . 4.500 3.770 3.561 4.050 . 0 0 "[ . 1 . 2]" 1
836 1 86 PHE HA 1 87 VAL H 3.500 . 4.500 3.568 3.563 3.573 . 0 0 "[ . 1 . 2]" 1
837 1 86 PHE HB3 1 87 VAL H 3.500 . 4.500 2.260 2.108 2.395 . 0 0 "[ . 1 . 2]" 1
838 1 86 PHE HB2 1 87 VAL H 3.500 . 4.500 3.698 3.602 3.785 . 0 0 "[ . 1 . 2]" 1
839 1 86 PHE QD 1 87 VAL MG1 5.000 2.500 6.000 4.656 4.383 5.044 . 0 0 "[ . 1 . 2]" 1
840 1 86 PHE QD 1 87 VAL MG2 3.500 . 4.500 2.611 2.371 2.916 . 0 0 "[ . 1 . 2]" 1
841 1 86 PHE QD 1 87 VAL H 3.500 . 4.500 3.181 2.900 3.521 . 0 0 "[ . 1 . 2]" 1
842 1 86 PHE QE 1 87 VAL MG2 5.000 2.500 6.000 4.294 4.058 4.457 . 0 0 "[ . 1 . 2]" 1
843 1 86 PHE H 1 87 VAL MG2 3.500 . 4.500 4.070 3.925 4.300 . 0 0 "[ . 1 . 2]" 1
844 1 86 PHE H 1 87 VAL H 2.500 . 3.500 2.709 2.609 2.952 . 0 0 "[ . 1 . 2]" 1
845 1 86 PHE H 1 88 LYS H 3.500 . 4.500 3.812 3.684 3.941 . 0 0 "[ . 1 . 2]" 1
846 1 86 PHE HA 1 89 GLU QB 2.500 . 3.500 2.647 2.415 2.806 . 0 0 "[ . 1 . 2]" 1
847 1 86 PHE HA 1 89 GLU H 5.000 2.500 6.000 3.363 3.270 3.436 . 0 0 "[ . 1 . 2]" 1
848 1 86 PHE HA 1 90 LYS QG 5.000 2.500 6.000 4.012 3.444 5.230 . 0 0 "[ . 1 . 2]" 1
849 1 86 PHE HA 1 90 LYS H 5.000 2.500 6.000 3.889 3.491 4.233 . 0 0 "[ . 1 . 2]" 1
850 1 86 PHE QD 1 90 LYS QG 5.000 2.500 6.000 3.631 3.229 4.135 . 0 0 "[ . 1 . 2]" 1
851 1 86 PHE QE 1 90 LYS HG3 3.500 . 4.500 3.223 2.466 4.064 . 0 0 "[ . 1 . 2]" 1
852 1 86 PHE QE 1 90 LYS HG2 3.500 . 4.500 3.796 2.547 4.487 . 0 0 "[ . 1 . 2]" 1
853 1 86 PHE HZ 1 90 LYS HG3 5.000 2.500 6.000 3.493 2.881 4.553 . 0 0 "[ . 1 . 2]" 1
854 1 86 PHE HZ 1 90 LYS HG2 5.000 2.500 6.000 4.688 2.868 5.181 . 0 0 "[ . 1 . 2]" 1
855 1 86 PHE QD 1 92 LEU QD 3.500 . 4.500 2.982 2.495 3.333 . 0 0 "[ . 1 . 2]" 1
856 1 86 PHE QE 1 92 LEU QD 2.000 . 2.800 2.563 2.116 2.801 0.001 20 0 "[ . 1 . 2]" 1
857 1 86 PHE HZ 1 92 LEU QD 3.500 . 4.500 4.087 3.700 4.481 . 0 0 "[ . 1 . 2]" 1
858 1 86 PHE QE 1 98 VAL MG1 3.500 . 4.500 4.028 3.586 4.493 . 0 0 "[ . 1 . 2]" 1
859 1 86 PHE QE 1 98 VAL MG2 3.500 . 4.500 4.281 3.929 4.504 0.004 17 0 "[ . 1 . 2]" 1
860 1 86 PHE QD 1 112 ILE MD 3.500 . 4.500 3.374 3.049 3.823 . 0 0 "[ . 1 . 2]" 1
861 1 86 PHE QD 1 112 ILE MG 5.000 2.500 6.000 3.997 3.429 4.348 . 0 0 "[ . 1 . 2]" 1
862 1 86 PHE QE 1 112 ILE MD 3.500 . 4.500 2.795 2.225 3.552 . 0 0 "[ . 1 . 2]" 1
863 1 86 PHE QE 1 112 ILE MG 3.500 . 4.500 2.781 2.150 3.318 . 0 0 "[ . 1 . 2]" 1
864 1 86 PHE HZ 1 112 ILE MD 3.500 . 4.500 3.189 2.818 3.924 . 0 0 "[ . 1 . 2]" 1
865 1 86 PHE HZ 1 112 ILE QG 3.500 . 4.500 2.627 2.151 3.254 . 0 0 "[ . 1 . 2]" 1
866 1 86 PHE HZ 1 112 ILE MG 3.500 . 4.500 2.992 2.558 3.581 . 0 0 "[ . 1 . 2]" 1
867 1 86 PHE QE 1 114 TRP HE3 3.500 . 4.500 3.600 3.307 3.932 . 0 0 "[ . 1 . 2]" 1
868 1 86 PHE QE 1 114 TRP HZ3 3.500 . 4.500 3.083 2.631 3.479 . 0 0 "[ . 1 . 2]" 1
869 1 86 PHE HZ 1 114 TRP HA 5.000 2.500 6.000 5.650 5.118 5.969 . 0 0 "[ . 1 . 2]" 1
870 1 86 PHE HZ 1 114 TRP HB3 3.500 . 4.500 3.640 2.893 4.258 . 0 0 "[ . 1 . 2]" 1
871 1 86 PHE HZ 1 114 TRP HE3 3.500 . 4.500 2.271 1.999 2.639 0.001 7 0 "[ . 1 . 2]" 1
872 1 86 PHE HZ 1 114 TRP HZ3 3.500 . 4.500 2.893 2.054 3.480 . 0 0 "[ . 1 . 2]" 1
873 1 87 VAL HA 1 88 LYS H 3.500 . 4.500 3.494 3.481 3.519 . 0 0 "[ . 1 . 2]" 1
874 1 87 VAL HB 1 88 LYS H 2.500 . 3.500 2.861 2.737 2.940 . 0 0 "[ . 1 . 2]" 1
875 1 87 VAL MG1 1 88 LYS H 3.500 . 4.500 3.783 3.711 3.850 . 0 0 "[ . 1 . 2]" 1
876 1 87 VAL MG2 1 88 LYS H 3.500 . 4.500 3.837 3.767 3.897 . 0 0 "[ . 1 . 2]" 1
877 1 87 VAL H 1 88 LYS H 2.500 . 3.500 2.743 2.656 2.828 . 0 0 "[ . 1 . 2]" 1
878 1 87 VAL HA 1 89 GLU H 5.000 2.500 6.000 4.602 4.410 4.778 . 0 0 "[ . 1 . 2]" 1
879 1 87 VAL H 1 89 GLU H 3.500 . 4.500 4.296 4.132 4.433 . 0 0 "[ . 1 . 2]" 1
880 1 87 VAL HA 1 90 LYS HB2 5.000 2.500 6.000 3.833 3.291 4.277 . 0 0 "[ . 1 . 2]" 1
881 1 87 VAL HA 1 90 LYS H 3.500 . 4.500 3.962 3.705 4.243 . 0 0 "[ . 1 . 2]" 1
882 1 87 VAL MG2 1 91 ASN H 5.000 2.500 6.000 5.883 5.735 6.002 0.002 20 0 "[ . 1 . 2]" 1
883 1 87 VAL HA 1 92 LEU HB3 2.500 . 3.500 2.128 1.992 2.334 . 0 0 "[ . 1 . 2]" 1
884 1 87 VAL HA 1 92 LEU HB2 2.500 . 3.500 2.601 2.231 3.092 . 0 0 "[ . 1 . 2]" 1
885 1 87 VAL HA 1 92 LEU QD 2.500 . 3.500 3.102 2.969 3.256 . 0 0 "[ . 1 . 2]" 1
886 1 87 VAL HA 1 92 LEU MD1 3.500 . 4.500 4.374 4.165 4.505 0.005 1 0 "[ . 1 . 2]" 1
887 1 87 VAL HA 1 92 LEU MD2 3.500 . 4.500 3.175 3.029 3.355 . 0 0 "[ . 1 . 2]" 1
888 1 87 VAL HA 1 92 LEU H 3.500 . 4.500 2.599 2.316 2.891 . 0 0 "[ . 1 . 2]" 1
889 1 87 VAL MG1 1 92 LEU HB3 2.500 . 3.500 1.927 1.875 2.002 . 0 0 "[ . 1 . 2]" 1
890 1 87 VAL MG1 1 92 LEU HG 2.500 . 3.500 3.401 3.246 3.503 0.003 1 0 "[ . 1 . 2]" 1
891 1 87 VAL MG2 1 92 LEU HB3 3.500 . 4.500 2.788 2.401 3.055 . 0 0 "[ . 1 . 2]" 1
892 1 87 VAL MG2 1 92 LEU HB2 3.500 . 4.500 3.838 3.473 4.246 . 0 0 "[ . 1 . 2]" 1
893 1 87 VAL MG2 1 92 LEU QD 2.500 . 3.500 2.375 2.053 2.757 . 0 0 "[ . 1 . 2]" 1
894 1 87 VAL MG2 1 92 LEU HG 3.500 . 4.500 4.162 3.802 4.461 . 0 0 "[ . 1 . 2]" 1
895 1 88 LYS QB 1 89 GLU H 2.500 . 3.500 2.629 2.429 2.788 . 0 0 "[ . 1 . 2]" 1
896 1 88 LYS H 1 89 GLU H 2.500 . 3.500 2.445 2.358 2.552 . 0 0 "[ . 1 . 2]" 1
897 1 88 LYS HA 1 91 ASN HA 5.000 2.500 6.000 3.104 2.958 3.266 . 0 0 "[ . 1 . 2]" 1
898 1 88 LYS HA 1 91 ASN QB 5.000 2.500 6.000 4.969 4.617 5.253 . 0 0 "[ . 1 . 2]" 1
899 1 88 LYS HA 1 91 ASN H 3.500 . 4.500 3.336 3.052 3.509 . 0 0 "[ . 1 . 2]" 1
900 1 89 GLU HA 1 90 LYS H 3.500 . 4.500 3.553 3.493 3.573 . 0 0 "[ . 1 . 2]" 1
901 1 89 GLU QB 1 90 LYS H 2.500 . 3.500 2.437 2.130 2.813 . 0 0 "[ . 1 . 2]" 1
902 1 89 GLU H 1 90 LYS H 2.500 . 3.500 2.777 2.564 2.952 . 0 0 "[ . 1 . 2]" 1
903 1 89 GLU HA 1 91 ASN H 3.500 . 4.500 4.016 3.883 4.228 . 0 0 "[ . 1 . 2]" 1
904 1 89 GLU H 1 91 ASN H 5.000 2.500 6.000 3.664 3.627 3.729 . 0 0 "[ . 1 . 2]" 1
905 1 89 GLU H 1 92 LEU H 5.000 2.500 6.000 5.176 5.057 5.336 . 0 0 "[ . 1 . 2]" 1
906 1 90 LYS HA 1 91 ASN H 3.500 . 4.500 3.269 3.207 3.329 . 0 0 "[ . 1 . 2]" 1
907 1 90 LYS HB3 1 91 ASN H 5.000 2.500 6.000 4.326 4.033 4.450 . 0 0 "[ . 1 . 2]" 1
908 1 90 LYS HB2 1 91 ASN H 3.500 . 4.500 3.591 3.446 3.709 . 0 0 "[ . 1 . 2]" 1
909 1 90 LYS HG3 1 91 ASN H 5.000 2.500 6.000 5.515 5.185 5.654 . 0 0 "[ . 1 . 2]" 1
910 1 90 LYS HG2 1 91 ASN H 5.000 2.500 6.000 4.606 4.389 5.782 . 0 0 "[ . 1 . 2]" 1
911 1 90 LYS H 1 91 ASN H 2.000 . 2.800 2.423 2.108 2.571 . 0 0 "[ . 1 . 2]" 1
912 1 90 LYS HB2 1 92 LEU H 3.500 . 4.500 3.161 2.951 3.488 . 0 0 "[ . 1 . 2]" 1
913 1 90 LYS HA 1 114 TRP HZ2 5.000 2.500 6.000 5.493 4.866 5.904 . 0 0 "[ . 1 . 2]" 1
914 1 90 LYS HB3 1 114 TRP HD1 5.000 2.500 6.000 5.210 3.736 5.983 . 0 0 "[ . 1 . 2]" 1
915 1 90 LYS HB3 1 114 TRP HE1 5.000 2.500 6.000 4.177 3.040 4.889 . 0 0 "[ . 1 . 2]" 1
916 1 90 LYS HB3 1 114 TRP HH2 5.000 2.500 6.000 5.185 4.267 5.884 . 0 0 "[ . 1 . 2]" 1
917 1 90 LYS HB3 1 114 TRP HZ2 3.500 . 4.500 4.197 3.387 4.502 0.002 5 0 "[ . 1 . 2]" 1
918 1 90 LYS QD 1 114 TRP HE1 5.000 2.500 6.000 4.259 3.024 5.766 . 0 0 "[ . 1 . 2]" 1
919 1 90 LYS QD 1 114 TRP HH2 5.000 2.500 6.000 3.112 2.500 4.358 . 0 0 "[ . 1 . 2]" 1
920 1 90 LYS QD 1 114 TRP HZ2 3.500 . 4.500 2.740 2.199 4.494 . 0 0 "[ . 1 . 2]" 1
921 1 90 LYS QE 1 114 TRP HH2 3.500 . 4.500 2.829 1.999 4.209 0.001 10 0 "[ . 1 . 2]" 1
922 1 90 LYS QG 1 114 TRP HE1 5.000 2.500 6.000 4.978 3.621 5.921 . 0 0 "[ . 1 . 2]" 1
923 1 90 LYS QG 1 114 TRP HH2 5.000 2.500 6.000 3.693 2.793 4.527 . 0 0 "[ . 1 . 2]" 1
924 1 90 LYS HG3 1 114 TRP HZ2 5.000 2.500 6.000 4.104 2.708 5.558 . 0 0 "[ . 1 . 2]" 1
925 1 90 LYS HG2 1 114 TRP HZ2 5.000 2.500 6.000 5.233 3.250 5.945 . 0 0 "[ . 1 . 2]" 1
926 1 91 ASN HA 1 92 LEU H 2.500 . 3.500 2.857 2.769 2.918 . 0 0 "[ . 1 . 2]" 1
927 1 91 ASN H 1 92 LEU QD 5.000 2.500 6.000 5.434 5.268 5.544 . 0 0 "[ . 1 . 2]" 1
928 1 91 ASN H 1 92 LEU H 2.500 . 3.500 2.708 2.649 2.794 . 0 0 "[ . 1 . 2]" 1
929 1 92 LEU HA 1 93 ARG H 2.000 . 2.800 2.238 2.141 2.330 . 0 0 "[ . 1 . 2]" 1
930 1 92 LEU HB3 1 93 ARG H 3.500 . 4.500 3.865 3.595 4.178 . 0 0 "[ . 1 . 2]" 1
931 1 92 LEU QD 1 93 ARG H 2.500 . 3.500 2.637 2.377 2.927 . 0 0 "[ . 1 . 2]" 1
932 1 92 LEU HG 1 93 ARG HA 3.500 . 4.500 3.814 3.599 4.127 . 0 0 "[ . 1 . 2]" 1
933 1 92 LEU HG 1 93 ARG H 2.500 . 3.500 2.379 1.992 3.079 . 0 0 "[ . 1 . 2]" 1
934 1 92 LEU H 1 93 ARG H 5.000 2.500 6.000 4.612 4.516 4.644 . 0 0 "[ . 1 . 2]" 1
935 1 92 LEU MD1 1 96 ASP HB3 5.000 2.500 6.000 2.959 2.520 3.500 . 0 0 "[ . 1 . 2]" 1
936 1 92 LEU MD1 1 96 ASP HB2 5.000 2.500 6.000 2.728 2.499 3.111 0.001 6 0 "[ . 1 . 2]" 1
937 1 92 LEU MD2 1 96 ASP HB3 5.000 2.500 6.000 4.762 4.055 5.276 . 0 0 "[ . 1 . 2]" 1
938 1 92 LEU MD2 1 96 ASP HB2 5.000 2.500 6.000 4.161 3.556 4.740 . 0 0 "[ . 1 . 2]" 1
939 1 92 LEU HG 1 96 ASP QB 5.000 2.500 6.000 3.631 3.227 3.973 . 0 0 "[ . 1 . 2]" 1
940 1 92 LEU MD1 1 98 VAL MG2 2.500 . 3.500 3.286 3.057 3.502 0.002 9 0 "[ . 1 . 2]" 1
941 1 92 LEU MD2 1 98 VAL MG2 2.500 . 3.500 2.603 2.240 3.020 . 0 0 "[ . 1 . 2]" 1
942 1 92 LEU QD 1 114 TRP HB3 3.500 . 4.500 2.844 2.449 3.216 . 0 0 "[ . 1 . 2]" 1
943 1 92 LEU QD 1 114 TRP HB2 3.500 . 4.500 2.631 2.193 3.293 . 0 0 "[ . 1 . 2]" 1
944 1 92 LEU QD 1 114 TRP HD1 3.500 . 4.500 3.597 3.045 4.369 . 0 0 "[ . 1 . 2]" 1
945 1 92 LEU QD 1 114 TRP HE1 5.000 2.500 6.000 4.882 4.324 5.397 . 0 0 "[ . 1 . 2]" 1
946 1 92 LEU MD1 1 114 TRP HE3 5.000 2.500 6.000 4.750 4.092 5.373 . 0 0 "[ . 1 . 2]" 1
947 1 92 LEU MD2 1 114 TRP HE3 5.000 2.500 6.000 5.427 5.056 5.964 . 0 0 "[ . 1 . 2]" 1
948 1 93 ARG HA 1 94 ALA MB 3.500 . 4.500 4.182 4.108 4.246 . 0 0 "[ . 1 . 2]" 1
949 1 93 ARG HA 1 94 ALA H 2.500 . 3.500 2.604 2.492 2.811 . 0 0 "[ . 1 . 2]" 1
950 1 93 ARG HB3 1 94 ALA H 2.500 . 3.500 2.577 1.979 3.515 0.015 1 0 "[ . 1 . 2]" 1
951 1 93 ARG HB2 1 94 ALA H 2.500 . 3.500 2.950 1.959 3.524 0.024 17 0 "[ . 1 . 2]" 1
952 1 93 ARG H 1 94 ALA H 5.000 2.500 6.000 4.384 4.274 4.471 . 0 0 "[ . 1 . 2]" 1
953 1 94 ALA HA 1 95 GLY H 2.000 . 2.800 2.299 2.206 2.469 . 0 0 "[ . 1 . 2]" 1
954 1 94 ALA MB 1 95 GLY H 2.500 . 3.500 2.699 2.301 2.969 . 0 0 "[ . 1 . 2]" 1
955 1 94 ALA H 1 95 GLY H 5.000 2.500 6.000 4.621 4.599 4.636 . 0 0 "[ . 1 . 2]" 1
956 1 94 ALA HA 1 96 ASP H 3.500 . 4.500 3.351 3.162 3.631 . 0 0 "[ . 1 . 2]" 1
957 1 95 GLY QA 1 96 ASP H 2.500 . 3.500 2.846 2.785 2.917 . 0 0 "[ . 1 . 2]" 1
958 1 95 GLY H 1 96 ASP H 3.500 . 4.500 2.545 2.117 2.836 . 0 0 "[ . 1 . 2]" 1
959 1 96 ASP HB3 1 97 VAL H 3.500 . 4.500 2.053 1.997 2.166 0.003 16 0 "[ . 1 . 2]" 1
960 1 96 ASP HB2 1 97 VAL H 3.500 . 4.500 3.271 2.828 3.631 . 0 0 "[ . 1 . 2]" 1
961 1 96 ASP H 1 97 VAL QG 5.000 2.500 6.000 4.767 4.378 5.389 . 0 0 "[ . 1 . 2]" 1
962 1 96 ASP H 1 97 VAL H 5.000 2.500 6.000 4.466 4.342 4.538 . 0 0 "[ . 1 . 2]" 1
963 1 97 VAL HA 1 98 VAL H 3.500 . 4.500 2.199 2.141 2.316 . 0 0 "[ . 1 . 2]" 1
964 1 97 VAL HB 1 98 VAL H 3.500 . 4.500 3.940 2.829 4.304 . 0 0 "[ . 1 . 2]" 1
965 1 97 VAL QG 1 98 VAL H 2.500 . 3.500 2.429 2.014 3.344 . 0 0 "[ . 1 . 2]" 1
966 1 97 VAL HB 1 115 LYS H 5.000 2.500 6.000 3.373 2.664 5.260 . 0 0 "[ . 1 . 2]" 1
967 1 97 VAL QG 1 115 LYS QB 3.500 . 4.500 2.540 2.072 3.058 . 0 0 "[ . 1 . 2]" 1
968 1 97 VAL QG 1 115 LYS H 5.000 2.500 6.000 3.677 2.620 4.200 . 0 0 "[ . 1 . 2]" 1
969 1 97 VAL H 1 115 LYS HA 5.000 2.500 6.000 4.777 4.148 5.215 . 0 0 "[ . 1 . 2]" 1
970 1 97 VAL H 1 115 LYS HB3 3.500 . 4.500 3.644 2.420 4.500 0.000 12 0 "[ . 1 . 2]" 1
971 1 97 VAL H 1 115 LYS HB2 3.500 . 4.500 3.949 3.374 4.431 . 0 0 "[ . 1 . 2]" 1
972 1 97 VAL H 1 115 LYS QG 5.000 2.500 6.000 5.233 4.227 5.781 . 0 0 "[ . 1 . 2]" 1
973 1 97 VAL H 1 115 LYS H 3.500 . 4.500 2.619 2.013 3.197 . 0 0 "[ . 1 . 2]" 1
974 1 97 VAL H 1 116 SER H 5.000 2.500 6.000 5.277 4.664 5.569 . 0 0 "[ . 1 . 2]" 1
975 1 98 VAL HA 1 99 SER H 2.000 . 2.800 2.172 2.140 2.219 . 0 0 "[ . 1 . 2]" 1
976 1 98 VAL HB 1 99 SER H 3.500 . 4.500 4.287 4.052 4.404 . 0 0 "[ . 1 . 2]" 1
977 1 98 VAL MG1 1 99 SER H 2.500 . 3.500 2.950 2.306 3.333 . 0 0 "[ . 1 . 2]" 1
978 1 98 VAL HB 1 100 PHE QE 3.500 . 4.500 3.485 3.165 3.917 . 0 0 "[ . 1 . 2]" 1
979 1 98 VAL HB 1 100 PHE HZ 5.000 2.500 6.000 4.635 4.144 4.971 . 0 0 "[ . 1 . 2]" 1
980 1 98 VAL MG1 1 100 PHE QD 3.500 . 4.500 3.452 3.206 3.636 . 0 0 "[ . 1 . 2]" 1
981 1 98 VAL MG1 1 100 PHE QE 3.500 . 4.500 2.286 1.996 2.564 0.004 2 0 "[ . 1 . 2]" 1
982 1 98 VAL MG1 1 100 PHE HZ 3.500 . 4.500 2.349 2.111 2.579 . 0 0 "[ . 1 . 2]" 1
983 1 98 VAL MG2 1 100 PHE QE 3.500 . 4.500 4.289 4.102 4.476 . 0 0 "[ . 1 . 2]" 1
984 1 98 VAL MG2 1 100 PHE HZ 3.500 . 4.500 4.452 4.344 4.503 0.003 4 0 "[ . 1 . 2]" 1
985 1 98 VAL HB 1 112 ILE MD 5.000 2.500 6.000 5.376 4.871 5.868 . 0 0 "[ . 1 . 2]" 1
986 1 98 VAL MG1 1 112 ILE MD 2.500 . 3.500 2.741 2.314 3.159 . 0 0 "[ . 1 . 2]" 1
987 1 98 VAL MG1 1 112 ILE QG 2.500 . 3.500 2.945 2.539 3.240 . 0 0 "[ . 1 . 2]" 1
988 1 98 VAL MG2 1 112 ILE MD 3.500 . 4.500 4.195 3.805 4.505 0.005 4 0 "[ . 1 . 2]" 1
989 1 98 VAL HA 1 114 TRP HA 2.500 . 3.500 2.745 2.146 3.175 . 0 0 "[ . 1 . 2]" 1
990 1 98 VAL HA 1 114 TRP HB3 3.500 . 4.500 3.970 3.466 4.272 . 0 0 "[ . 1 . 2]" 1
991 1 98 VAL HA 1 114 TRP HB2 5.000 2.500 6.000 4.389 3.888 4.822 . 0 0 "[ . 1 . 2]" 1
992 1 98 VAL HA 1 114 TRP H 5.000 2.500 6.000 5.187 4.488 5.589 . 0 0 "[ . 1 . 2]" 1
993 1 98 VAL MG1 1 114 TRP HB3 5.000 2.500 6.000 4.228 3.662 4.774 . 0 0 "[ . 1 . 2]" 1
994 1 98 VAL MG2 1 114 TRP HE3 5.000 2.500 6.000 5.803 5.373 6.001 0.001 2 0 "[ . 1 . 2]" 1
995 1 98 VAL HA 1 115 LYS H 3.500 . 4.500 4.132 3.806 4.504 0.004 4 0 "[ . 1 . 2]" 1
996 1 99 SER HA 1 100 PHE QD 5.000 2.500 6.000 3.884 3.380 4.438 . 0 0 "[ . 1 . 2]" 1
997 1 99 SER HA 1 100 PHE H 3.500 . 4.500 2.303 2.144 2.470 . 0 0 "[ . 1 . 2]" 1
998 1 99 SER HB3 1 100 PHE H 3.500 . 4.500 3.392 2.362 4.205 . 0 0 "[ . 1 . 2]" 1
999 1 99 SER HB2 1 100 PHE H 3.500 . 4.500 3.680 2.604 4.333 . 0 0 "[ . 1 . 2]" 1
1000 1 99 SER H 1 113 GLY QA 3.500 . 4.500 3.981 3.547 4.399 . 0 0 "[ . 1 . 2]" 1
1001 1 99 SER H 1 113 GLY H 3.500 . 4.500 3.474 2.820 4.157 . 0 0 "[ . 1 . 2]" 1
1002 1 99 SER H 1 114 TRP HA 3.500 . 4.500 3.156 2.716 3.802 . 0 0 "[ . 1 . 2]" 1
1003 1 99 SER H 1 114 TRP HB2 5.000 2.500 6.000 5.485 4.917 5.974 . 0 0 "[ . 1 . 2]" 1
1004 1 99 SER H 1 114 TRP H 5.000 2.500 6.000 4.830 4.320 5.161 . 0 0 "[ . 1 . 2]" 1
1005 1 100 PHE HA 1 101 SER H 2.000 . 2.800 2.173 2.139 2.229 . 0 0 "[ . 1 . 2]" 1
1006 1 100 PHE HB3 1 101 SER H 3.500 . 4.500 3.187 2.909 3.480 . 0 0 "[ . 1 . 2]" 1
1007 1 100 PHE HB2 1 101 SER H 3.500 . 4.500 4.198 3.976 4.381 . 0 0 "[ . 1 . 2]" 1
1008 1 100 PHE QD 1 101 SER H 3.500 . 4.500 3.748 3.485 3.986 . 0 0 "[ . 1 . 2]" 1
1009 1 100 PHE QD 1 110 LEU QD 3.500 . 4.500 3.745 3.130 4.353 . 0 0 "[ . 1 . 2]" 1
1010 1 100 PHE HA 1 112 ILE HA 3.500 . 4.500 3.031 2.606 3.276 . 0 0 "[ . 1 . 2]" 1
1011 1 100 PHE HA 1 112 ILE HB 5.000 2.500 6.000 5.106 4.661 5.580 . 0 0 "[ . 1 . 2]" 1
1012 1 100 PHE HA 1 112 ILE QG 5.000 2.500 6.000 4.474 4.052 4.792 . 0 0 "[ . 1 . 2]" 1
1013 1 100 PHE HA 1 112 ILE MG 5.000 2.500 6.000 5.649 5.323 5.869 . 0 0 "[ . 1 . 2]" 1
1014 1 100 PHE QD 1 112 ILE HA 3.500 . 4.500 2.777 2.304 3.331 . 0 0 "[ . 1 . 2]" 1
1015 1 100 PHE QD 1 112 ILE HB 3.500 . 4.500 3.515 2.942 3.805 . 0 0 "[ . 1 . 2]" 1
1016 1 100 PHE QD 1 112 ILE MD 3.500 . 4.500 3.822 3.600 4.045 . 0 0 "[ . 1 . 2]" 1
1017 1 100 PHE QE 1 112 ILE HB 3.500 . 4.500 2.845 2.330 3.240 . 0 0 "[ . 1 . 2]" 1
1018 1 100 PHE QE 1 112 ILE MD 2.500 . 3.500 2.050 1.881 2.267 . 0 0 "[ . 1 . 2]" 1
1019 1 100 PHE QE 1 112 ILE QG 5.000 2.500 6.000 2.919 2.499 3.650 0.001 4 0 "[ . 1 . 2]" 1
1020 1 100 PHE QE 1 112 ILE MG 3.500 . 4.500 4.263 3.853 4.502 0.002 20 0 "[ . 1 . 2]" 1
1021 1 100 PHE HZ 1 112 ILE MD 2.500 . 3.500 2.690 2.153 3.155 . 0 0 "[ . 1 . 2]" 1
1022 1 100 PHE HA 1 113 GLY H 3.500 . 4.500 3.548 3.008 4.034 . 0 0 "[ . 1 . 2]" 1
1023 1 101 SER HA 1 102 ARG H 2.500 . 3.500 2.516 2.309 2.724 . 0 0 "[ . 1 . 2]" 1
1024 1 101 SER HB3 1 102 ARG H 2.500 . 3.500 2.397 2.005 2.817 . 0 0 "[ . 1 . 2]" 1
1025 1 101 SER HB2 1 102 ARG H 2.500 . 3.500 3.120 2.514 3.502 0.002 6 0 "[ . 1 . 2]" 1
1026 1 101 SER HB2 1 111 TYR HB3 5.000 2.500 6.000 3.914 3.099 4.513 . 0 0 "[ . 1 . 2]" 1
1027 1 101 SER HB2 1 111 TYR HB2 3.500 . 4.500 2.419 2.030 2.872 . 0 0 "[ . 1 . 2]" 1
1028 1 101 SER H 1 111 TYR HB3 5.000 2.500 6.000 4.362 3.582 5.038 . 0 0 "[ . 1 . 2]" 1
1029 1 101 SER H 1 111 TYR QD 5.000 2.500 6.000 4.274 3.590 4.758 . 0 0 "[ . 1 . 2]" 1
1030 1 101 SER H 1 111 TYR H 3.500 . 4.500 2.968 2.556 3.440 . 0 0 "[ . 1 . 2]" 1
1031 1 101 SER H 1 112 ILE HA 3.500 . 4.500 4.107 3.673 4.430 . 0 0 "[ . 1 . 2]" 1
1032 1 102 ARG HA 1 103 SER H 2.500 . 3.500 2.292 2.177 2.394 . 0 0 "[ . 1 . 2]" 1
1033 1 102 ARG QB 1 103 SER H 3.500 . 4.500 3.155 2.552 3.647 . 0 0 "[ . 1 . 2]" 1
1034 1 102 ARG HB3 1 103 SER H 3.500 . 4.500 3.431 2.585 4.071 . 0 0 "[ . 1 . 2]" 1
1035 1 102 ARG HB2 1 103 SER H 3.500 . 4.500 3.985 2.605 4.343 . 0 0 "[ . 1 . 2]" 1
1036 1 102 ARG QG 1 103 SER H 3.500 . 4.500 2.630 2.061 3.892 . 0 0 "[ . 1 . 2]" 1
1037 1 102 ARG HA 1 110 LEU HA 5.000 2.500 6.000 2.533 2.494 2.665 0.006 18 0 "[ . 1 . 2]" 1
1038 1 102 ARG HA 1 110 LEU QD 3.500 . 4.500 3.211 2.128 3.998 . 0 0 "[ . 1 . 2]" 1
1039 1 102 ARG QB 1 110 LEU HA 3.500 . 4.500 4.130 2.714 4.504 0.004 18 0 "[ . 1 . 2]" 1
1040 1 102 ARG HD3 1 110 LEU QD 3.500 . 4.500 3.561 2.418 4.293 . 0 0 "[ . 1 . 2]" 1
1041 1 102 ARG HD2 1 110 LEU QD 3.500 . 4.500 3.200 2.242 4.502 0.002 18 0 "[ . 1 . 2]" 1
1042 1 102 ARG H 1 110 LEU QD 5.000 2.500 6.000 4.667 3.929 5.599 . 0 0 "[ . 1 . 2]" 1
1043 1 102 ARG HA 1 111 TYR QD 3.500 . 4.500 3.074 2.176 3.628 . 0 0 "[ . 1 . 2]" 1
1044 1 102 ARG HA 1 111 TYR QE 3.500 . 4.500 3.878 2.823 4.501 0.001 12 0 "[ . 1 . 2]" 1
1045 1 102 ARG HA 1 111 TYR H 3.500 . 4.500 3.900 3.356 4.272 . 0 0 "[ . 1 . 2]" 1
1046 1 102 ARG H 1 111 TYR QD 5.000 2.500 6.000 3.991 3.216 4.618 . 0 0 "[ . 1 . 2]" 1
1047 1 103 SER HA 1 104 ASN H 3.500 . 4.500 2.274 2.144 2.670 . 0 0 "[ . 1 . 2]" 1
1048 1 103 SER HB3 1 104 ASN H 2.500 . 3.500 2.965 2.396 3.454 . 0 0 "[ . 1 . 2]" 1
1049 1 103 SER HB2 1 104 ASN H 3.500 . 4.500 3.947 2.546 4.437 . 0 0 "[ . 1 . 2]" 1
1050 1 103 SER HB2 1 105 GLY H 3.500 . 4.500 3.669 3.118 4.493 . 0 0 "[ . 1 . 2]" 1
1051 1 103 SER HB2 1 109 GLN HB3 3.500 . 4.500 2.931 2.111 4.165 . 0 0 "[ . 1 . 2]" 1
1052 1 103 SER HB2 1 109 GLN H 3.500 . 4.500 3.893 2.720 4.501 0.001 7 0 "[ . 1 . 2]" 1
1053 1 103 SER H 1 109 GLN H 5.000 2.500 6.000 4.055 3.139 5.255 . 0 0 "[ . 1 . 2]" 1
1054 1 103 SER H 1 110 LEU HA 3.500 . 4.500 3.706 3.236 4.261 . 0 0 "[ . 1 . 2]" 1
1055 1 103 SER HA 1 111 TYR QE 3.500 . 4.500 3.505 2.276 4.485 . 0 0 "[ . 1 . 2]" 1
1056 1 103 SER HB3 1 111 TYR QE 3.500 . 4.500 3.877 2.795 4.472 . 0 0 "[ . 1 . 2]" 1
1057 1 103 SER HB2 1 111 TYR QE 3.500 . 4.500 3.378 1.998 4.251 0.002 6 0 "[ . 1 . 2]" 1
1058 1 103 SER H 1 111 TYR QD 3.500 . 4.500 4.047 3.223 4.478 . 0 0 "[ . 1 . 2]" 1
1059 1 103 SER H 1 111 TYR QE 3.500 . 4.500 3.325 2.026 4.059 . 0 0 "[ . 1 . 2]" 1
1060 1 104 ASN HA 1 105 GLY H 5.000 2.500 6.000 2.931 2.494 3.526 0.006 18 0 "[ . 1 . 2]" 1
1061 1 104 ASN HB3 1 105 GLY H 3.500 . 4.500 4.200 3.326 4.499 . 0 0 "[ . 1 . 2]" 1
1062 1 104 ASN HB2 1 105 GLY H 3.500 . 4.500 3.996 2.879 4.476 . 0 0 "[ . 1 . 2]" 1
1063 1 107 ASP HA 1 108 GLN H 3.500 . 4.500 2.732 2.139 3.572 . 0 0 "[ . 1 . 2]" 1
1064 1 107 ASP QB 1 108 GLN H 3.500 . 4.500 3.038 2.104 3.920 . 0 0 "[ . 1 . 2]" 1
1065 1 107 ASP H 1 108 GLN H 3.500 . 4.500 3.660 2.422 4.497 . 0 0 "[ . 1 . 2]" 1
1066 1 108 GLN HA 1 109 GLN H 2.500 . 3.500 2.683 2.138 3.503 0.003 20 0 "[ . 1 . 2]" 1
1067 1 108 GLN QB 1 109 GLN H 3.500 . 4.500 3.553 2.734 4.046 . 0 0 "[ . 1 . 2]" 1
1068 1 108 GLN H 1 109 GLN H 3.500 . 4.500 3.543 2.254 4.494 . 0 0 "[ . 1 . 2]" 1
1069 1 109 GLN HA 1 110 LEU H 2.500 . 3.500 2.169 2.139 2.244 . 0 0 "[ . 1 . 2]" 1
1070 1 109 GLN HB2 1 110 LEU H 3.500 . 4.500 4.336 4.114 4.505 0.005 4 0 "[ . 1 . 2]" 1
1071 1 109 GLN QG 1 110 LEU H 3.500 . 4.500 2.891 2.114 3.650 . 0 0 "[ . 1 . 2]" 1
1072 1 109 GLN HB3 1 111 TYR QE 3.500 . 4.500 3.864 3.170 4.495 . 0 0 "[ . 1 . 2]" 1
1073 1 109 GLN QG 1 111 TYR QE 2.500 . 3.500 3.158 2.094 3.479 . 0 0 "[ . 1 . 2]" 1
1074 1 110 LEU HA 1 111 TYR QD 3.500 . 4.500 3.267 2.707 4.378 . 0 0 "[ . 1 . 2]" 1
1075 1 110 LEU HA 1 111 TYR H 3.500 . 4.500 2.547 2.341 2.651 . 0 0 "[ . 1 . 2]" 1
1076 1 110 LEU QB 1 111 TYR H 3.500 . 4.500 2.159 1.998 2.711 0.002 10 0 "[ . 1 . 2]" 1
1077 1 110 LEU MD1 1 111 TYR H 3.500 . 4.500 4.147 2.521 4.503 0.003 3 0 "[ . 1 . 2]" 1
1078 1 110 LEU MD2 1 111 TYR H 3.500 . 4.500 3.294 2.179 4.351 . 0 0 "[ . 1 . 2]" 1
1079 1 110 LEU HG 1 111 TYR H 3.500 . 4.500 3.967 3.164 4.460 . 0 0 "[ . 1 . 2]" 1
1080 1 111 TYR HA 1 112 ILE MG 3.500 . 4.500 3.746 3.667 3.818 . 0 0 "[ . 1 . 2]" 1
1081 1 111 TYR HA 1 112 ILE H 2.000 . 2.800 2.214 2.143 2.393 . 0 0 "[ . 1 . 2]" 1
1082 1 111 TYR HB3 1 112 ILE H 3.500 . 4.500 3.050 2.471 3.622 . 0 0 "[ . 1 . 2]" 1
1083 1 111 TYR HB2 1 112 ILE H 3.500 . 4.500 4.031 3.612 4.480 . 0 0 "[ . 1 . 2]" 1
1084 1 111 TYR QD 1 112 ILE H 3.500 . 4.500 4.044 3.572 4.477 . 0 0 "[ . 1 . 2]" 1
1085 1 111 TYR H 1 112 ILE H 3.500 . 4.500 4.272 3.980 4.414 . 0 0 "[ . 1 . 2]" 1
1086 1 112 ILE HA 1 113 GLY H 2.000 . 2.800 2.182 2.143 2.341 . 0 0 "[ . 1 . 2]" 1
1087 1 112 ILE MD 1 113 GLY H 3.500 . 4.500 4.159 3.614 4.495 . 0 0 "[ . 1 . 2]" 1
1088 1 112 ILE QG 1 113 GLY H 2.500 . 3.500 2.492 1.914 2.938 . 0 0 "[ . 1 . 2]" 1
1089 1 112 ILE MG 1 113 GLY H 3.500 . 4.500 3.940 3.529 4.127 . 0 0 "[ . 1 . 2]" 1
1090 1 112 ILE QG 1 114 TRP H 5.000 2.500 6.000 4.335 3.285 4.712 . 0 0 "[ . 1 . 2]" 1
1091 1 112 ILE MG 1 114 TRP HE3 5.000 2.500 6.000 3.439 2.952 3.967 . 0 0 "[ . 1 . 2]" 1
1092 1 112 ILE MG 1 114 TRP HZ3 3.500 . 4.500 2.812 2.170 3.798 . 0 0 "[ . 1 . 2]" 1
1093 1 113 GLY QA 1 114 TRP HE3 5.000 2.500 6.000 2.858 2.500 3.507 . 0 0 "[ . 1 . 2]" 1
1094 1 113 GLY HA3 1 114 TRP H 3.500 . 4.500 3.171 2.974 3.487 . 0 0 "[ . 1 . 2]" 1
1095 1 113 GLY HA2 1 114 TRP H 3.500 . 4.500 2.169 2.136 2.266 . 0 0 "[ . 1 . 2]" 1
1096 1 113 GLY H 1 114 TRP H 5.000 2.500 6.000 4.255 3.642 4.406 . 0 0 "[ . 1 . 2]" 1
1097 1 114 TRP HA 1 115 LYS QG 5.000 2.500 6.000 5.299 4.488 5.845 . 0 0 "[ . 1 . 2]" 1
1098 1 114 TRP HA 1 115 LYS H 2.000 . 2.800 2.324 2.204 2.497 . 0 0 "[ . 1 . 2]" 1
1099 1 114 TRP HB3 1 115 LYS H 3.500 . 4.500 3.872 3.689 4.060 . 0 0 "[ . 1 . 2]" 1
1100 1 114 TRP HB2 1 115 LYS H 2.500 . 3.500 2.655 2.270 3.005 . 0 0 "[ . 1 . 2]" 1
1101 1 114 TRP HD1 1 115 LYS HA 5.000 2.500 6.000 4.043 3.323 4.571 . 0 0 "[ . 1 . 2]" 1
1102 1 114 TRP HD1 1 115 LYS H 3.500 . 4.500 4.015 3.200 4.501 0.001 18 0 "[ . 1 . 2]" 1
1103 1 114 TRP HE3 1 115 LYS H 5.000 2.500 6.000 5.931 5.826 6.001 0.001 9 0 "[ . 1 . 2]" 1
1104 1 114 TRP H 1 115 LYS H 5.000 2.500 6.000 4.512 4.423 4.582 . 0 0 "[ . 1 . 2]" 1
1105 1 114 TRP HD1 1 116 SER H 5.000 2.500 6.000 4.183 3.375 5.200 . 0 0 "[ . 1 . 2]" 1
1106 1 114 TRP HE1 1 116 SER QB 5.000 2.500 6.000 5.126 3.709 6.001 0.001 12 0 "[ . 1 . 2]" 1
1107 1 115 LYS HA 1 116 SER H 2.000 . 2.800 2.169 2.139 2.279 . 0 0 "[ . 1 . 2]" 1
1108 1 115 LYS QB 1 116 SER H 3.500 . 4.500 3.519 3.065 3.856 . 0 0 "[ . 1 . 2]" 1
1109 1 115 LYS QG 1 116 SER H 2.500 . 3.500 3.127 2.255 3.503 0.003 12 0 "[ . 1 . 2]" 1
1110 1 115 LYS H 1 116 SER H 5.000 2.500 6.000 4.252 3.983 4.467 . 0 0 "[ . 1 . 2]" 1
1111 1 116 SER HA 1 117 ARG H 2.500 . 3.500 2.407 2.142 2.731 . 0 0 "[ . 1 . 2]" 1
1112 1 116 SER QB 1 117 ARG H 3.500 . 4.500 3.147 1.999 3.989 0.001 3 0 "[ . 1 . 2]" 1
1113 1 116 SER H 1 117 ARG H 5.000 2.500 6.000 4.208 3.303 4.596 . 0 0 "[ . 1 . 2]" 1
1114 1 117 ARG HA 1 118 SER H 2.500 . 3.500 2.507 2.138 3.509 0.009 20 0 "[ . 1 . 2]" 1
1115 1 117 ARG HB3 1 118 SER H 3.500 . 4.500 3.914 2.919 4.358 . 0 0 "[ . 1 . 2]" 1
1116 1 117 ARG HB2 1 118 SER H 3.500 . 4.500 3.873 2.035 4.503 0.003 12 0 "[ . 1 . 2]" 1
1117 1 117 ARG QG 1 118 SER H 3.500 . 4.500 3.569 2.322 4.515 0.015 5 0 "[ . 1 . 2]" 1
1118 1 117 ARG H 1 118 SER H 3.500 . 4.500 3.964 2.355 4.531 0.031 5 0 "[ . 1 . 2]" 1
1119 1 118 SER H 1 119 GLY H 2.500 . 3.500 2.578 1.993 3.504 0.004 18 0 "[ . 1 . 2]" 1
1120 1 120 SER HA 1 121 ASP H 2.500 . 3.500 2.983 2.253 3.549 0.049 20 0 "[ . 1 . 2]" 1
1121 1 120 SER QB 1 121 ASP H 2.000 . 2.800 2.500 1.984 2.801 0.001 7 0 "[ . 1 . 2]" 1
1122 1 121 ASP HA 1 122 LEU H 3.500 . 4.500 3.500 3.114 3.569 . 0 0 "[ . 1 . 2]" 1
1123 1 121 ASP HB3 1 122 LEU H 5.000 2.500 6.000 3.355 2.560 4.028 . 0 0 "[ . 1 . 2]" 1
1124 1 121 ASP HB2 1 122 LEU H 5.000 2.500 6.000 3.184 2.499 4.364 0.001 6 0 "[ . 1 . 2]" 1
1125 1 121 ASP H 1 122 LEU H 2.000 . 2.800 2.421 2.253 2.676 . 0 0 "[ . 1 . 2]" 1
1126 1 122 LEU HA 1 123 ASP H 2.500 . 3.500 2.894 2.141 3.551 0.051 19 0 "[ . 1 . 2]" 1
1127 1 122 LEU QB 1 123 ASP H 2.500 . 3.500 2.790 2.025 3.501 0.001 14 0 "[ . 1 . 2]" 1
1128 1 122 LEU QD 1 123 ASP H 5.000 2.500 6.000 3.633 2.498 4.299 0.002 19 0 "[ . 1 . 2]" 1
1129 1 122 LEU H 1 123 ASP H 5.000 2.500 6.000 3.637 2.508 4.637 . 0 0 "[ . 1 . 2]" 1
1130 1 123 ASP HA 1 124 ALA H 3.500 . 4.500 2.708 2.173 3.569 . 0 0 "[ . 1 . 2]" 1
1131 1 123 ASP HB3 1 124 ALA H 5.000 2.500 6.000 3.412 2.499 4.061 0.001 12 0 "[ . 1 . 2]" 1
1132 1 123 ASP HB2 1 124 ALA H 5.000 2.500 6.000 3.549 2.499 4.546 0.001 10 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 82
_Distance_constraint_stats_list.Viol_count 214
_Distance_constraint_stats_list.Viol_total 670.787
_Distance_constraint_stats_list.Viol_max 1.917
_Distance_constraint_stats_list.Viol_rms 0.1652
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0205
_Distance_constraint_stats_list.Viol_average_violations_only 0.1567
_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 11 GLU 0.003 0.003 17 0 "[ . 1 . 2]"
1 13 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 PHE 0.037 0.006 6 0 "[ . 1 . 2]"
1 16 LYS 0.005 0.002 16 0 "[ . 1 . 2]"
1 18 VAL 0.015 0.006 20 0 "[ . 1 . 2]"
1 22 ASP 31.941 1.917 13 12 "[* **** * * + -* **]"
1 29 LEU 0.262 0.031 7 0 "[ . 1 . 2]"
1 30 VAL 31.920 1.917 13 12 "[* **** * * + -* **]"
1 31 ILE 0.097 0.025 6 0 "[ . 1 . 2]"
1 52 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 LEU 0.014 0.005 8 0 "[ . 1 . 2]"
1 55 ASN 0.002 0.001 12 0 "[ . 1 . 2]"
1 56 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 GLU 0.007 0.004 7 0 "[ . 1 . 2]"
1 58 ASP 0.181 0.017 18 0 "[ . 1 . 2]"
1 62 LYS 0.181 0.017 18 0 "[ . 1 . 2]"
1 64 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 PHE 0.014 0.005 8 0 "[ . 1 . 2]"
1 67 ARG 0.058 0.012 16 0 "[ . 1 . 2]"
1 68 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 SER 0.114 0.028 9 0 "[ . 1 . 2]"
1 71 TRP 0.652 0.087 2 0 "[ . 1 . 2]"
1 76 SER 0.652 0.087 2 0 "[ . 1 . 2]"
1 77 TYR 0.097 0.025 6 0 "[ . 1 . 2]"
1 78 VAL 0.114 0.028 9 0 "[ . 1 . 2]"
1 79 LEU 0.262 0.031 7 0 "[ . 1 . 2]"
1 80 THR 0.058 0.012 16 0 "[ . 1 . 2]"
1 82 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 TRP 0.020 0.007 19 0 "[ . 1 . 2]"
1 84 SER 0.002 0.002 18 0 "[ . 1 . 2]"
1 86 PHE 0.067 0.007 7 0 "[ . 1 . 2]"
1 87 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 LYS 0.061 0.007 7 0 "[ . 1 . 2]"
1 89 GLU 0.067 0.007 7 0 "[ . 1 . 2]"
1 91 ASN 0.060 0.007 7 0 "[ . 1 . 2]"
1 92 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 GLY 0.015 0.006 20 0 "[ . 1 . 2]"
1 96 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 VAL 0.011 0.006 8 0 "[ . 1 . 2]"
1 98 VAL 0.005 0.002 16 0 "[ . 1 . 2]"
1 99 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 PHE 0.037 0.006 6 0 "[ . 1 . 2]"
1 101 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 ARG 0.003 0.003 17 0 "[ . 1 . 2]"
1 103 SER 0.012 0.006 4 0 "[ . 1 . 2]"
1 109 GLN 0.012 0.006 4 0 "[ . 1 . 2]"
1 110 LEU 0.002 0.001 12 0 "[ . 1 . 2]"
1 111 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 ILE 0.007 0.004 7 0 "[ . 1 . 2]"
1 113 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 LYS 0.011 0.006 8 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 13 LEU N 1 100 PHE O 3.300 2.500 3.500 2.738 2.593 3.003 . 0 0 "[ . 1 . 2]" 2
2 1 13 LEU H 1 100 PHE O 2.300 . 2.500 1.853 1.682 2.189 . 0 0 "[ . 1 . 2]" 2
3 1 14 PHE N 1 100 PHE O 3.300 2.500 3.500 3.413 3.376 3.455 . 0 0 "[ . 1 . 2]" 2
4 1 14 PHE H 1 100 PHE O 2.300 . 2.500 2.501 2.481 2.506 0.006 6 0 "[ . 1 . 2]" 2
5 1 16 LYS N 1 98 VAL O 3.300 2.500 3.500 3.173 2.799 3.472 . 0 0 "[ . 1 . 2]" 2
6 1 16 LYS H 1 98 VAL O 2.300 . 2.500 2.327 1.877 2.502 0.002 16 0 "[ . 1 . 2]" 2
7 1 18 VAL N 1 96 ASP O 3.300 2.500 3.500 3.054 2.782 3.378 . 0 0 "[ . 1 . 2]" 2
8 1 18 VAL H 1 96 ASP O 2.300 . 2.500 2.137 1.808 2.489 . 0 0 "[ . 1 . 2]" 2
9 1 29 LEU N 1 79 LEU O 3.300 2.500 3.500 3.454 3.237 3.507 0.007 7 0 "[ . 1 . 2]" 2
10 1 29 LEU H 1 79 LEU O 2.300 . 2.500 2.495 2.328 2.531 0.031 7 0 "[ . 1 . 2]" 2
11 1 22 ASP OD1 1 30 VAL N 3.300 2.500 3.500 3.965 2.627 5.176 1.676 13 12 "[* **** * * + -* **]" 2
12 1 22 ASP OD1 1 30 VAL H 2.300 . 2.500 3.266 1.678 4.417 1.917 13 12 "[* **** * * + -* **]" 2
13 1 31 ILE N 1 77 TYR O 3.300 2.500 3.500 2.828 2.595 3.153 . 0 0 "[ . 1 . 2]" 2
14 1 31 ILE H 1 77 TYR O 2.300 . 2.500 2.052 1.689 2.500 . 0 0 "[ . 1 . 2]" 2
15 1 54 LEU N 1 66 PHE O 3.300 2.500 3.500 3.083 2.702 3.478 . 0 0 "[ . 1 . 2]" 2
16 1 54 LEU H 1 66 PHE O 2.300 . 2.500 2.173 1.834 2.503 0.003 4 0 "[ . 1 . 2]" 2
17 1 56 PHE N 1 64 TRP O 3.300 2.500 3.500 2.821 2.591 3.219 . 0 0 "[ . 1 . 2]" 2
18 1 56 PHE H 1 64 TRP O 2.300 . 2.500 1.939 1.662 2.425 . 0 0 "[ . 1 . 2]" 2
19 1 57 GLU N 1 110 LEU O 3.300 2.500 3.500 2.992 2.725 3.454 . 0 0 "[ . 1 . 2]" 2
20 1 57 GLU H 1 110 LEU O 2.300 . 2.500 2.088 1.775 2.478 . 0 0 "[ . 1 . 2]" 2
21 1 58 ASP N 1 62 LYS O 3.300 2.500 3.500 2.671 2.573 2.854 . 0 0 "[ . 1 . 2]" 2
22 1 58 ASP H 1 62 LYS O 2.300 . 2.500 1.945 1.775 2.143 . 0 0 "[ . 1 . 2]" 2
23 1 58 ASP O 1 62 LYS N 3.300 2.500 3.500 3.453 3.427 3.474 . 0 0 "[ . 1 . 2]" 2
24 1 58 ASP O 1 62 LYS H 2.300 . 2.500 2.509 2.502 2.517 0.017 18 0 "[ . 1 . 2]" 2
25 1 56 PHE O 1 64 TRP N 3.300 2.500 3.500 2.710 2.593 2.904 . 0 0 "[ . 1 . 2]" 2
26 1 56 PHE O 1 64 TRP H 2.300 . 2.500 1.900 1.673 2.167 . 0 0 "[ . 1 . 2]" 2
27 1 54 LEU O 1 66 PHE N 3.300 2.500 3.500 3.193 2.825 3.443 . 0 0 "[ . 1 . 2]" 2
28 1 54 LEU O 1 66 PHE H 2.300 . 2.500 2.350 1.990 2.505 0.005 8 0 "[ . 1 . 2]" 2
29 1 67 ARG N 1 80 THR O 3.300 2.500 3.500 3.050 2.795 3.278 . 0 0 "[ . 1 . 2]" 2
30 1 67 ARG H 1 80 THR O 2.300 . 2.500 2.235 1.951 2.446 . 0 0 "[ . 1 . 2]" 2
31 1 52 VAL O 1 68 TYR N 3.300 2.500 3.500 3.017 2.567 3.417 . 0 0 "[ . 1 . 2]" 2
32 1 52 VAL O 1 68 TYR H 2.300 . 2.500 2.118 1.691 2.463 . 0 0 "[ . 1 . 2]" 2
33 1 69 SER N 1 78 VAL O 3.300 2.500 3.500 3.017 2.592 3.492 . 0 0 "[ . 1 . 2]" 2
34 1 69 SER H 1 78 VAL O 2.300 . 2.500 2.149 1.687 2.528 0.028 9 0 "[ . 1 . 2]" 2
35 1 71 TRP N 1 76 SER O 3.300 2.500 3.500 3.003 2.573 3.390 . 0 0 "[ . 1 . 2]" 2
36 1 71 TRP H 1 76 SER O 2.300 . 2.500 2.218 1.704 2.511 0.011 8 0 "[ . 1 . 2]" 2
37 1 71 TRP O 1 76 SER N 3.300 2.500 3.500 3.264 3.106 3.403 . 0 0 "[ . 1 . 2]" 2
38 1 71 TRP O 1 76 SER H 2.300 . 2.500 2.531 2.502 2.587 0.087 2 0 "[ . 1 . 2]" 2
39 1 31 ILE O 1 77 TYR N 3.300 2.500 3.500 3.244 2.922 3.440 . 0 0 "[ . 1 . 2]" 2
40 1 31 ILE O 1 77 TYR H 2.300 . 2.500 2.422 2.025 2.525 0.025 6 0 "[ . 1 . 2]" 2
41 1 69 SER O 1 78 VAL N 3.300 2.500 3.500 3.222 2.742 3.476 . 0 0 "[ . 1 . 2]" 2
42 1 69 SER O 1 78 VAL H 2.300 . 2.500 2.323 1.829 2.508 0.008 4 0 "[ . 1 . 2]" 2
43 1 29 LEU O 1 79 LEU N 3.300 2.500 3.500 2.877 2.674 3.280 . 0 0 "[ . 1 . 2]" 2
44 1 29 LEU O 1 79 LEU H 2.300 . 2.500 1.972 1.744 2.500 . 0 0 "[ . 1 . 2]" 2
45 1 67 ARG O 1 80 THR N 3.300 2.500 3.500 3.036 2.790 3.298 . 0 0 "[ . 1 . 2]" 2
46 1 67 ARG O 1 80 THR H 2.300 . 2.500 2.406 2.120 2.512 0.012 16 0 "[ . 1 . 2]" 2
47 1 22 ASP O 1 83 TRP NE1 3.300 2.500 3.500 3.104 2.721 3.408 . 0 0 "[ . 1 . 2]" 2
48 1 22 ASP O 1 83 TRP HE1 2.300 . 2.500 2.349 1.918 2.507 0.007 19 0 "[ . 1 . 2]" 2
49 1 82 GLY O 1 86 PHE N 3.300 2.500 3.500 2.938 2.731 3.134 . 0 0 "[ . 1 . 2]" 2
50 1 82 GLY O 1 86 PHE H 2.300 . 2.500 2.072 1.816 2.371 . 0 0 "[ . 1 . 2]" 2
51 1 83 TRP O 1 87 VAL N 3.300 2.500 3.500 2.762 2.578 2.997 . 0 0 "[ . 1 . 2]" 2
52 1 83 TRP O 1 87 VAL H 2.300 . 2.500 1.802 1.640 2.024 . 0 0 "[ . 1 . 2]" 2
53 1 84 SER O 1 88 LYS N 3.300 2.500 3.500 3.036 2.805 3.288 . 0 0 "[ . 1 . 2]" 2
54 1 84 SER O 1 88 LYS H 2.300 . 2.500 2.213 1.960 2.502 0.002 18 0 "[ . 1 . 2]" 2
55 1 86 PHE O 1 89 GLU N 3.300 2.500 3.500 2.987 2.910 3.077 . 0 0 "[ . 1 . 2]" 2
56 1 86 PHE O 1 89 GLU H 2.300 . 2.500 2.503 2.499 2.507 0.007 7 0 "[ . 1 . 2]" 2
57 1 88 LYS O 1 91 ASN N 3.300 2.500 3.500 3.302 3.255 3.359 . 0 0 "[ . 1 . 2]" 2
58 1 88 LYS O 1 91 ASN H 2.300 . 2.500 2.503 2.500 2.507 0.007 7 0 "[ . 1 . 2]" 2
59 1 87 VAL O 1 92 LEU N 3.300 2.500 3.500 2.679 2.599 2.784 . 0 0 "[ . 1 . 2]" 2
60 1 87 VAL O 1 92 LEU H 2.300 . 2.500 2.046 1.947 2.278 . 0 0 "[ . 1 . 2]" 2
61 1 18 VAL O 1 95 GLY N 3.300 2.500 3.500 3.375 3.162 3.480 . 0 0 "[ . 1 . 2]" 2
62 1 18 VAL O 1 95 GLY H 2.300 . 2.500 2.436 2.268 2.506 0.006 20 0 "[ . 1 . 2]" 2
63 1 97 VAL N 1 115 LYS O 3.300 2.500 3.500 3.225 2.912 3.449 . 0 0 "[ . 1 . 2]" 2
64 1 97 VAL H 1 115 LYS O 2.300 . 2.500 2.367 2.066 2.506 0.006 8 0 "[ . 1 . 2]" 2
65 1 16 LYS O 1 98 VAL N 3.300 2.500 3.500 2.790 2.607 3.025 . 0 0 "[ . 1 . 2]" 2
66 1 16 LYS O 1 98 VAL H 2.300 . 2.500 1.941 1.733 2.380 . 0 0 "[ . 1 . 2]" 2
67 1 99 SER N 1 113 GLY O 3.300 2.500 3.500 2.800 2.606 3.078 . 0 0 "[ . 1 . 2]" 2
68 1 99 SER H 1 113 GLY O 2.300 . 2.500 1.912 1.692 2.169 . 0 0 "[ . 1 . 2]" 2
69 1 14 PHE O 1 100 PHE N 3.300 2.500 3.500 3.130 2.993 3.349 . 0 0 "[ . 1 . 2]" 2
70 1 14 PHE O 1 100 PHE H 2.300 . 2.500 2.263 2.089 2.498 . 0 0 "[ . 1 . 2]" 2
71 1 101 SER N 1 111 TYR O 3.300 2.500 3.500 3.198 2.884 3.435 . 0 0 "[ . 1 . 2]" 2
72 1 101 SER H 1 111 TYR O 2.300 . 2.500 2.256 1.928 2.491 . 0 0 "[ . 1 . 2]" 2
73 1 11 GLU O 1 102 ARG N 3.300 2.500 3.500 2.953 2.618 3.421 . 0 0 "[ . 1 . 2]" 2
74 1 11 GLU O 1 102 ARG H 2.300 . 2.500 2.065 1.748 2.503 0.003 17 0 "[ . 1 . 2]" 2
75 1 103 SER N 1 109 GLN O 3.300 2.500 3.500 3.334 3.137 3.473 . 0 0 "[ . 1 . 2]" 2
76 1 103 SER H 1 109 GLN O 2.300 . 2.500 2.439 2.243 2.506 0.006 4 0 "[ . 1 . 2]" 2
77 1 55 ASN O 1 110 LEU N 3.300 2.500 3.500 3.166 2.756 3.391 . 0 0 "[ . 1 . 2]" 2
78 1 55 ASN O 1 110 LEU H 2.300 . 2.500 2.296 1.829 2.501 0.001 12 0 "[ . 1 . 2]" 2
79 1 57 GLU O 1 112 ILE N 3.300 2.500 3.500 3.345 3.171 3.482 . 0 0 "[ . 1 . 2]" 2
80 1 57 GLU O 1 112 ILE H 2.300 . 2.500 2.409 2.197 2.504 0.004 7 0 "[ . 1 . 2]" 2
81 1 99 SER O 1 113 GLY N 3.300 2.500 3.500 3.093 2.858 3.392 . 0 0 "[ . 1 . 2]" 2
82 1 99 SER O 1 113 GLY H 2.300 . 2.500 2.192 1.940 2.414 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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