NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
428772 |
2if1   |
4255 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2if1
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 939
_Distance_constraint_stats_list.Viol_count 2297
_Distance_constraint_stats_list.Viol_total 1900.047
_Distance_constraint_stats_list.Viol_max 0.240
_Distance_constraint_stats_list.Viol_rms 0.0113
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0024
_Distance_constraint_stats_list.Viol_average_violations_only 0.0285
_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 2 ARG 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 3 GLY 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 4 SER 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 5 HIS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 10 HIS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 11 THR 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 12 ASP 0.427 0.090 20 0 "[ . 1 . 2 . ]"
1 13 PRO 0.018 0.018 18 0 "[ . 1 . 2 . ]"
1 14 MET 0.117 0.085 18 0 "[ . 1 . 2 . ]"
1 15 SER 0.427 0.090 20 0 "[ . 1 . 2 . ]"
1 16 ALA 0.023 0.023 18 0 "[ . 1 . 2 . ]"
1 17 ILE 0.033 0.023 18 0 "[ . 1 . 2 . ]"
1 18 GLN 0.085 0.036 12 0 "[ . 1 . 2 . ]"
1 19 ASN 0.024 0.009 11 0 "[ . 1 . 2 . ]"
1 20 LEU 0.018 0.009 11 0 "[ . 1 . 2 . ]"
1 21 HIS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 22 SER 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 23 PHE 0.029 0.010 6 0 "[ . 1 . 2 . ]"
1 24 ASP 0.021 0.010 6 0 "[ . 1 . 2 . ]"
1 25 PRO 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 26 PHE 0.012 0.005 5 0 "[ . 1 . 2 . ]"
1 27 ALA 0.148 0.101 7 0 "[ . 1 . 2 . ]"
1 28 ASP 0.135 0.101 7 0 "[ . 1 . 2 . ]"
1 29 ALA 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 30 SER 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 31 LYS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 32 GLY 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 33 ASP 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 34 ASP 0.034 0.023 5 0 "[ . 1 . 2 . ]"
1 35 LEU 0.036 0.023 5 0 "[ . 1 . 2 . ]"
1 36 LEU 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 37 PRO 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 38 ALA 0.002 0.002 3 0 "[ . 1 . 2 . ]"
1 39 GLY 0.054 0.028 11 0 "[ . 1 . 2 . ]"
1 40 THR 0.072 0.017 15 0 "[ . 1 . 2 . ]"
1 41 GLU 0.114 0.037 11 0 "[ . 1 . 2 . ]"
1 42 ASP 2.096 0.067 16 0 "[ . 1 . 2 . ]"
1 43 TYR 3.546 0.100 25 0 "[ . 1 . 2 . ]"
1 44 ILE 3.416 0.084 25 0 "[ . 1 . 2 . ]"
1 45 HIS 3.130 0.141 29 0 "[ . 1 . 2 . ]"
1 46 ILE 8.179 0.222 24 0 "[ . 1 . 2 . ]"
1 47 ARG 4.970 0.201 25 0 "[ . 1 . 2 . ]"
1 48 ILE 3.188 0.093 21 0 "[ . 1 . 2 . ]"
1 49 GLN 0.119 0.029 22 0 "[ . 1 . 2 . ]"
1 50 GLN 0.763 0.036 25 0 "[ . 1 . 2 . ]"
1 51 ARG 0.327 0.041 23 0 "[ . 1 . 2 . ]"
1 52 ASN 0.436 0.035 22 0 "[ . 1 . 2 . ]"
1 53 GLY 1.269 0.070 5 0 "[ . 1 . 2 . ]"
1 54 ARG 0.826 0.070 5 0 "[ . 1 . 2 . ]"
1 55 LYS 0.212 0.094 9 0 "[ . 1 . 2 . ]"
1 56 THR 2.209 0.094 9 0 "[ . 1 . 2 . ]"
1 57 LEU 0.255 0.022 2 0 "[ . 1 . 2 . ]"
1 58 THR 0.178 0.021 6 0 "[ . 1 . 2 . ]"
1 59 THR 1.468 0.044 9 0 "[ . 1 . 2 . ]"
1 60 VAL 1.156 0.081 28 0 "[ . 1 . 2 . ]"
1 61 GLN 2.060 0.096 10 0 "[ . 1 . 2 . ]"
1 62 GLY 2.349 0.113 29 0 "[ . 1 . 2 . ]"
1 63 ILE 3.040 0.113 29 0 "[ . 1 . 2 . ]"
1 64 ALA 2.519 0.114 24 0 "[ . 1 . 2 . ]"
1 65 ASP 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 66 ASP 0.546 0.044 5 0 "[ . 1 . 2 . ]"
1 67 TYR 2.195 0.108 22 0 "[ . 1 . 2 . ]"
1 68 ASP 0.890 0.084 15 0 "[ . 1 . 2 . ]"
1 69 LYS 0.442 0.040 7 0 "[ . 1 . 2 . ]"
1 70 LYS 0.069 0.027 12 0 "[ . 1 . 2 . ]"
1 71 LYS 0.115 0.031 3 0 "[ . 1 . 2 . ]"
1 72 LEU 3.109 0.162 14 0 "[ . 1 . 2 . ]"
1 73 VAL 1.272 0.070 19 0 "[ . 1 . 2 . ]"
1 74 LYS 1.010 0.060 22 0 "[ . 1 . 2 . ]"
1 75 ALA 1.770 0.089 24 0 "[ . 1 . 2 . ]"
1 76 PHE 1.952 0.162 14 0 "[ . 1 . 2 . ]"
1 77 LYS 1.643 0.062 23 0 "[ . 1 . 2 . ]"
1 78 LYS 1.302 0.060 19 0 "[ . 1 . 2 . ]"
1 79 LYS 1.541 0.060 19 0 "[ . 1 . 2 . ]"
1 80 PHE 0.098 0.035 28 0 "[ . 1 . 2 . ]"
1 81 ALA 0.417 0.042 28 0 "[ . 1 . 2 . ]"
1 82 CYS 0.685 0.027 15 0 "[ . 1 . 2 . ]"
1 83 ASN 1.888 0.107 3 0 "[ . 1 . 2 . ]"
1 84 GLY 0.226 0.050 29 0 "[ . 1 . 2 . ]"
1 85 THR 2.325 0.070 8 0 "[ . 1 . 2 . ]"
1 86 VAL 0.711 0.082 25 0 "[ . 1 . 2 . ]"
1 87 ILE 0.096 0.013 5 0 "[ . 1 . 2 . ]"
1 88 GLU 1.336 0.068 12 0 "[ . 1 . 2 . ]"
1 89 HIS 0.733 0.046 19 0 "[ . 1 . 2 . ]"
1 90 PRO 0.013 0.007 21 0 "[ . 1 . 2 . ]"
1 91 GLU 1.047 0.040 7 0 "[ . 1 . 2 . ]"
1 92 TYR 1.691 0.046 19 0 "[ . 1 . 2 . ]"
1 93 GLY 0.369 0.025 3 0 "[ . 1 . 2 . ]"
1 94 GLU 0.080 0.025 3 0 "[ . 1 . 2 . ]"
1 95 VAL 0.873 0.044 9 0 "[ . 1 . 2 . ]"
1 96 ILE 1.720 0.165 17 0 "[ . 1 . 2 . ]"
1 97 GLN 2.234 0.165 17 0 "[ . 1 . 2 . ]"
1 98 LEU 3.196 0.070 8 0 "[ . 1 . 2 . ]"
1 99 GLN 2.027 0.066 18 0 "[ . 1 . 2 . ]"
1 100 GLY 0.226 0.020 8 0 "[ . 1 . 2 . ]"
1 101 ASP 0.015 0.013 3 0 "[ . 1 . 2 . ]"
1 102 GLN 3.427 0.093 21 0 "[ . 1 . 2 . ]"
1 103 ARG 0.729 0.050 17 0 "[ . 1 . 2 . ]"
1 104 LYS 0.157 0.019 23 0 "[ . 1 . 2 . ]"
1 105 ASN 1.940 0.092 12 0 "[ . 1 . 2 . ]"
1 106 ILE 0.231 0.043 12 0 "[ . 1 . 2 . ]"
1 107 CYS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 108 GLN 2.942 0.222 24 0 "[ . 1 . 2 . ]"
1 109 PHE 1.211 0.088 21 0 "[ . 1 . 2 . ]"
1 110 LEU 1.164 0.049 21 0 "[ . 1 . 2 . ]"
1 111 VAL 2.021 0.058 27 0 "[ . 1 . 2 . ]"
1 112 GLU 0.179 0.021 27 0 "[ . 1 . 2 . ]"
1 113 ILE 1.041 0.088 21 0 "[ . 1 . 2 . ]"
1 114 GLY 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 115 LEU 2.762 0.094 27 0 "[ . 1 . 2 . ]"
1 116 ALA 0.010 0.010 11 0 "[ . 1 . 2 . ]"
1 117 LYS 1.375 0.047 19 0 "[ . 1 . 2 . ]"
1 118 ASP 0.576 0.039 5 0 "[ . 1 . 2 . ]"
1 119 ASP 0.926 0.044 2 0 "[ . 1 . 2 . ]"
1 120 GLN 3.032 0.077 14 0 "[ . 1 . 2 . ]"
1 121 LEU 3.096 0.111 29 0 "[ . 1 . 2 . ]"
1 122 LYS 3.319 0.240 29 0 "[ . 1 . 2 . ]"
1 123 VAL 1.013 0.240 29 0 "[ . 1 . 2 . ]"
1 124 HIS 3.501 0.076 24 0 "[ . 1 . 2 . ]"
1 125 GLY 0.368 0.070 19 0 "[ . 1 . 2 . ]"
1 126 PHE 0.553 0.055 7 0 "[ . 1 . 2 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ARG HA 1 3 GLY H 0.000 . 5.000 2.687 2.141 3.568 . 0 0 "[ . 1 . 2 . ]" 1
2 1 3 GLY QA 1 4 SER H 0.000 . 4.000 2.324 2.110 2.907 . 0 0 "[ . 1 . 2 . ]" 1
3 1 4 SER HA 1 5 HIS H 0.000 . 5.000 2.729 2.139 3.570 . 0 0 "[ . 1 . 2 . ]" 1
4 1 10 HIS QB 1 11 THR H 0.000 . 5.000 3.319 1.967 4.005 . 0 0 "[ . 1 . 2 . ]" 1
5 1 11 THR HA 1 12 ASP H 0.000 . 5.000 2.725 2.138 3.570 . 0 0 "[ . 1 . 2 . ]" 1
6 1 11 THR HB 1 12 ASP H 0.000 . 5.000 3.360 1.923 4.353 . 0 0 "[ . 1 . 2 . ]" 1
7 1 11 THR MG 1 12 ASP H 0.000 . 5.000 3.724 2.265 4.441 . 0 0 "[ . 1 . 2 . ]" 1
8 1 11 THR H 1 12 ASP H 0.000 . 5.000 3.617 1.990 4.574 . 0 0 "[ . 1 . 2 . ]" 1
9 1 12 ASP H 1 13 PRO QD 0.000 . 5.000 3.410 2.084 4.408 . 0 0 "[ . 1 . 2 . ]" 1
10 1 12 ASP QB 1 14 MET H 0.000 . 5.000 3.309 2.443 4.755 . 0 0 "[ . 1 . 2 . ]" 1
11 1 12 ASP HA 1 15 SER H 0.000 . 5.000 4.585 3.965 5.090 0.090 20 0 "[ . 1 . 2 . ]" 1
12 1 12 ASP QB 1 15 SER H 0.000 . 5.000 3.425 2.134 5.038 0.038 23 0 "[ . 1 . 2 . ]" 1
13 1 13 PRO HA 1 14 MET H 0.000 . 5.000 3.450 2.614 3.560 . 0 0 "[ . 1 . 2 . ]" 1
14 1 13 PRO QB 1 14 MET H 0.000 . 4.000 3.133 2.452 3.993 . 0 0 "[ . 1 . 2 . ]" 1
15 1 13 PRO QD 1 14 MET H 0.000 . 4.000 2.796 2.473 4.018 0.018 18 0 "[ . 1 . 2 . ]" 1
16 1 13 PRO QB 1 15 SER H 0.000 . 5.000 4.415 3.304 4.823 . 0 0 "[ . 1 . 2 . ]" 1
17 1 14 MET H 1 14 MET QB 0.000 . 3.000 2.521 2.203 3.085 0.085 18 0 "[ . 1 . 2 . ]" 1
18 1 14 MET H 1 14 MET QG 0.000 . 4.000 2.753 1.964 4.004 0.004 22 0 "[ . 1 . 2 . ]" 1
19 1 14 MET HA 1 15 SER H 0.000 . 5.000 3.302 2.813 3.501 . 0 0 "[ . 1 . 2 . ]" 1
20 1 14 MET QB 1 15 SER H 0.000 . 4.000 3.175 2.744 3.852 . 0 0 "[ . 1 . 2 . ]" 1
21 1 14 MET QG 1 15 SER H 0.000 . 5.000 4.279 3.829 4.927 . 0 0 "[ . 1 . 2 . ]" 1
22 1 14 MET H 1 15 SER H 0.000 . 4.000 2.644 2.418 2.984 . 0 0 "[ . 1 . 2 . ]" 1
23 1 14 MET HA 1 17 ILE H 0.000 . 5.000 4.597 3.854 5.005 0.005 12 0 "[ . 1 . 2 . ]" 1
24 1 15 SER H 1 15 SER QB 0.000 . 3.000 2.418 2.062 2.953 . 0 0 "[ . 1 . 2 . ]" 1
25 1 15 SER HA 1 16 ALA H 0.000 . 5.000 3.304 2.808 3.566 . 0 0 "[ . 1 . 2 . ]" 1
26 1 15 SER QB 1 16 ALA H 0.000 . 5.000 3.290 2.448 3.870 . 0 0 "[ . 1 . 2 . ]" 1
27 1 16 ALA HA 1 17 ILE H 0.000 . 3.000 2.550 2.224 3.023 0.023 18 0 "[ . 1 . 2 . ]" 1
28 1 16 ALA MB 1 17 ILE H 0.000 . 5.000 3.642 3.540 3.719 . 0 0 "[ . 1 . 2 . ]" 1
29 1 16 ALA H 1 17 ILE H 0.000 . 5.000 3.110 1.995 3.848 . 0 0 "[ . 1 . 2 . ]" 1
30 1 17 ILE H 1 17 ILE HB 0.000 . 3.000 2.625 2.236 2.942 . 0 0 "[ . 1 . 2 . ]" 1
31 1 17 ILE H 1 17 ILE QG 0.000 . 4.000 2.406 2.012 2.813 . 0 0 "[ . 1 . 2 . ]" 1
32 1 17 ILE H 1 17 ILE MG 0.000 . 4.000 3.816 3.645 3.973 . 0 0 "[ . 1 . 2 . ]" 1
33 1 17 ILE HA 1 18 GLN H 0.000 . 3.000 2.267 2.140 2.570 . 0 0 "[ . 1 . 2 . ]" 1
34 1 17 ILE HB 1 18 GLN H 0.000 . 5.000 4.154 3.478 4.569 . 0 0 "[ . 1 . 2 . ]" 1
35 1 17 ILE QG 1 18 GLN H 0.000 . 5.000 4.285 3.969 4.494 . 0 0 "[ . 1 . 2 . ]" 1
36 1 17 ILE MG 1 18 GLN H 0.000 . 4.000 2.868 1.889 3.928 . 0 0 "[ . 1 . 2 . ]" 1
37 1 17 ILE H 1 18 GLN H 0.000 . 5.000 4.194 2.950 4.639 . 0 0 "[ . 1 . 2 . ]" 1
38 1 18 GLN H 1 18 GLN QG 0.000 . 4.000 2.941 1.992 4.036 0.036 12 0 "[ . 1 . 2 . ]" 1
39 1 18 GLN HA 1 19 ASN H 0.000 . 3.000 2.422 2.138 2.931 . 0 0 "[ . 1 . 2 . ]" 1
40 1 18 GLN QB 1 19 ASN H 0.000 . 4.000 3.188 1.934 4.006 0.006 1 0 "[ . 1 . 2 . ]" 1
41 1 19 ASN QB 1 20 LEU H 0.000 . 5.000 3.476 1.945 4.021 . 0 0 "[ . 1 . 2 . ]" 1
42 1 19 ASN H 1 20 LEU H 0.000 . 4.000 3.103 2.105 4.009 0.009 11 0 "[ . 1 . 2 . ]" 1
43 1 20 LEU H 1 20 LEU QD 0.000 . 5.000 3.291 1.946 4.071 . 0 0 "[ . 1 . 2 . ]" 1
44 1 20 LEU HA 1 21 HIS H 0.000 . 4.000 2.825 2.143 3.571 . 0 0 "[ . 1 . 2 . ]" 1
45 1 20 LEU QB 1 21 HIS H 0.000 . 5.000 3.001 1.948 4.012 . 0 0 "[ . 1 . 2 . ]" 1
46 1 20 LEU QD 1 21 HIS H 0.000 . 5.000 3.476 1.950 4.405 . 0 0 "[ . 1 . 2 . ]" 1
47 1 20 LEU H 1 21 HIS H 0.000 . 5.000 3.445 2.000 4.626 . 0 0 "[ . 1 . 2 . ]" 1
48 1 21 HIS QB 1 22 SER H 0.000 . 5.000 3.274 1.945 4.046 . 0 0 "[ . 1 . 2 . ]" 1
49 1 22 SER HA 1 23 PHE H 0.000 . 4.000 2.568 2.141 3.576 . 0 0 "[ . 1 . 2 . ]" 1
50 1 22 SER QB 1 23 PHE H 0.000 . 4.000 3.240 1.975 3.927 . 0 0 "[ . 1 . 2 . ]" 1
51 1 23 PHE H 1 23 PHE QB 0.000 . 3.000 2.617 2.082 3.008 0.008 20 0 "[ . 1 . 2 . ]" 1
52 1 23 PHE HA 1 24 ASP H 0.000 . 2.500 2.225 2.141 2.506 0.006 26 0 "[ . 1 . 2 . ]" 1
53 1 23 PHE QB 1 24 ASP H 0.000 . 4.000 3.483 2.406 4.010 0.010 6 0 "[ . 1 . 2 . ]" 1
54 1 24 ASP H 1 24 ASP HA 0.000 . 3.000 2.685 2.272 2.947 . 0 0 "[ . 1 . 2 . ]" 1
55 1 24 ASP H 1 25 PRO QD 0.000 . 5.000 3.301 2.109 4.382 . 0 0 "[ . 1 . 2 . ]" 1
56 1 24 ASP HA 1 26 PHE H 0.000 . 5.000 3.596 3.246 4.085 . 0 0 "[ . 1 . 2 . ]" 1
57 1 25 PRO HA 1 26 PHE H 0.000 . 5.000 3.502 3.445 3.558 . 0 0 "[ . 1 . 2 . ]" 1
58 1 25 PRO QB 1 26 PHE H 0.000 . 5.000 2.851 2.459 3.178 . 0 0 "[ . 1 . 2 . ]" 1
59 1 25 PRO QD 1 26 PHE H 0.000 . 5.000 2.693 2.500 2.878 . 0 0 "[ . 1 . 2 . ]" 1
60 1 25 PRO QG 1 26 PHE H 0.000 . 5.000 3.882 3.627 4.012 . 0 0 "[ . 1 . 2 . ]" 1
61 1 26 PHE HA 1 27 ALA H 0.000 . 4.000 3.155 2.648 3.572 . 0 0 "[ . 1 . 2 . ]" 1
62 1 26 PHE QB 1 27 ALA H 0.000 . 5.000 3.336 2.033 4.029 . 0 0 "[ . 1 . 2 . ]" 1
63 1 26 PHE H 1 27 ALA H 0.000 . 3.000 2.585 1.964 3.005 0.005 5 0 "[ . 1 . 2 . ]" 1
64 1 27 ALA H 1 27 ALA MB 0.000 . 3.000 2.715 2.101 2.914 . 0 0 "[ . 1 . 2 . ]" 1
65 1 27 ALA HA 1 28 ASP H 0.000 . 3.000 2.384 2.140 3.016 0.016 7 0 "[ . 1 . 2 . ]" 1
66 1 27 ALA MB 1 28 ASP H 0.000 . 4.000 3.485 1.855 3.715 . 0 0 "[ . 1 . 2 . ]" 1
67 1 27 ALA H 1 28 ASP H 0.000 . 4.000 3.445 2.179 4.101 0.101 7 0 "[ . 1 . 2 . ]" 1
68 1 28 ASP HA 1 29 ALA H 0.000 . 4.000 2.718 2.142 3.570 . 0 0 "[ . 1 . 2 . ]" 1
69 1 28 ASP QB 1 29 ALA H 0.000 . 5.000 3.232 2.012 4.037 . 0 0 "[ . 1 . 2 . ]" 1
70 1 29 ALA HA 1 30 SER H 0.000 . 3.000 2.416 2.142 2.905 . 0 0 "[ . 1 . 2 . ]" 1
71 1 29 ALA MB 1 30 SER H 0.000 . 4.000 2.969 1.959 3.715 . 0 0 "[ . 1 . 2 . ]" 1
72 1 30 SER HA 1 31 LYS H 0.000 . 5.000 2.684 2.141 3.570 . 0 0 "[ . 1 . 2 . ]" 1
73 1 30 SER QB 1 31 LYS H 0.000 . 5.000 3.044 2.084 3.979 . 0 0 "[ . 1 . 2 . ]" 1
74 1 31 LYS H 1 31 LYS QG 0.000 . 5.000 3.383 1.953 4.264 . 0 0 "[ . 1 . 2 . ]" 1
75 1 31 LYS HA 1 32 GLY H 0.000 . 5.000 2.666 2.142 3.573 . 0 0 "[ . 1 . 2 . ]" 1
76 1 31 LYS QB 1 32 GLY H 0.000 . 5.000 3.242 1.981 3.911 . 0 0 "[ . 1 . 2 . ]" 1
77 1 32 GLY QA 1 33 ASP H 0.000 . 3.000 2.385 2.111 2.861 . 0 0 "[ . 1 . 2 . ]" 1
78 1 32 GLY QA 1 34 ASP H 0.000 . 5.000 4.051 3.163 4.999 . 0 0 "[ . 1 . 2 . ]" 1
79 1 33 ASP HA 1 34 ASP H 0.000 . 4.000 2.710 2.142 3.569 . 0 0 "[ . 1 . 2 . ]" 1
80 1 34 ASP H 1 34 ASP HA 0.000 . 3.000 2.789 2.273 2.944 . 0 0 "[ . 1 . 2 . ]" 1
81 1 34 ASP H 1 34 ASP QB 0.000 . 3.000 2.541 2.150 3.009 0.009 2 0 "[ . 1 . 2 . ]" 1
82 1 34 ASP HA 1 35 LEU H 0.000 . 4.000 2.835 2.145 3.570 . 0 0 "[ . 1 . 2 . ]" 1
83 1 34 ASP QB 1 35 LEU H 0.000 . 4.000 3.470 1.977 4.023 0.023 5 0 "[ . 1 . 2 . ]" 1
84 1 34 ASP H 1 35 LEU H 0.000 . 4.000 3.027 2.182 3.967 . 0 0 "[ . 1 . 2 . ]" 1
85 1 35 LEU H 1 35 LEU HA 0.000 . 3.000 2.899 2.782 2.949 . 0 0 "[ . 1 . 2 . ]" 1
86 1 35 LEU H 1 35 LEU QB 0.000 . 2.500 2.278 2.038 2.507 0.007 15 0 "[ . 1 . 2 . ]" 1
87 1 35 LEU H 1 35 LEU QD 0.000 . 4.000 3.311 2.327 3.929 . 0 0 "[ . 1 . 2 . ]" 1
88 1 35 LEU HA 1 36 LEU H 0.000 . 3.000 2.296 2.139 2.852 . 0 0 "[ . 1 . 2 . ]" 1
89 1 36 LEU H 1 36 LEU QD 0.000 . 4.000 2.778 1.933 3.650 . 0 0 "[ . 1 . 2 . ]" 1
90 1 36 LEU H 1 37 PRO QD 0.000 . 5.000 4.289 3.394 4.416 . 0 0 "[ . 1 . 2 . ]" 1
91 1 37 PRO HA 1 38 ALA H 0.000 . 5.000 2.698 2.155 3.574 . 0 0 "[ . 1 . 2 . ]" 1
92 1 37 PRO QB 1 38 ALA H 0.000 . 4.000 3.071 1.938 3.881 . 0 0 "[ . 1 . 2 . ]" 1
93 1 37 PRO QG 1 38 ALA H 0.000 . 5.000 3.899 1.933 4.878 . 0 0 "[ . 1 . 2 . ]" 1
94 1 38 ALA H 1 38 ALA MB 0.000 . 3.000 2.626 2.068 2.908 . 0 0 "[ . 1 . 2 . ]" 1
95 1 38 ALA HA 1 39 GLY H 0.000 . 2.500 2.273 2.142 2.502 0.002 3 0 "[ . 1 . 2 . ]" 1
96 1 38 ALA MB 1 39 GLY H 0.000 . 4.000 3.181 2.198 3.717 . 0 0 "[ . 1 . 2 . ]" 1
97 1 39 GLY H 1 39 GLY QA 0.000 . 2.500 2.347 2.201 2.498 . 0 0 "[ . 1 . 2 . ]" 1
98 1 39 GLY QA 1 40 THR H 0.000 . 3.000 2.420 2.112 2.865 . 0 0 "[ . 1 . 2 . ]" 1
99 1 39 GLY H 1 40 THR H 0.000 . 4.000 3.167 2.012 4.017 0.017 15 0 "[ . 1 . 2 . ]" 1
100 1 39 GLY QA 1 41 GLU H 0.000 . 5.000 3.803 3.252 5.028 0.028 11 0 "[ . 1 . 2 . ]" 1
101 1 40 THR H 1 40 THR HA 0.000 . 3.000 2.915 2.779 2.948 . 0 0 "[ . 1 . 2 . ]" 1
102 1 40 THR H 1 40 THR MG 0.000 . 4.000 3.359 2.708 3.809 . 0 0 "[ . 1 . 2 . ]" 1
103 1 40 THR HA 1 41 GLU H 0.000 . 5.000 3.278 2.164 3.541 . 0 0 "[ . 1 . 2 . ]" 1
104 1 40 THR MG 1 41 GLU H 0.000 . 5.000 4.244 4.058 4.461 . 0 0 "[ . 1 . 2 . ]" 1
105 1 40 THR H 1 41 GLU QB 0.000 . 5.000 4.330 3.597 4.912 . 0 0 "[ . 1 . 2 . ]" 1
106 1 40 THR H 1 41 GLU QG 0.000 . 5.000 4.572 3.026 5.015 0.015 28 0 "[ . 1 . 2 . ]" 1
107 1 40 THR H 1 41 GLU H 0.000 . 4.000 2.195 1.874 3.773 . 0 0 "[ . 1 . 2 . ]" 1
108 1 40 THR MG 1 42 ASP H 0.000 . 5.000 4.294 3.773 5.005 0.005 27 0 "[ . 1 . 2 . ]" 1
109 1 41 GLU H 1 41 GLU QG 0.000 . 4.000 3.314 2.603 3.652 . 0 0 "[ . 1 . 2 . ]" 1
110 1 41 GLU HA 1 42 ASP H 0.000 . 4.000 3.117 2.554 3.502 . 0 0 "[ . 1 . 2 . ]" 1
111 1 41 GLU QB 1 42 ASP H 0.000 . 4.000 3.566 2.861 3.902 . 0 0 "[ . 1 . 2 . ]" 1
112 1 41 GLU QG 1 42 ASP H 0.000 . 5.000 4.676 4.399 4.910 . 0 0 "[ . 1 . 2 . ]" 1
113 1 41 GLU H 1 42 ASP QB 0.000 . 5.000 4.659 3.513 5.006 0.006 22 0 "[ . 1 . 2 . ]" 1
114 1 41 GLU H 1 42 ASP H 0.000 . 3.000 2.652 1.821 3.037 0.037 11 0 "[ . 1 . 2 . ]" 1
115 1 42 ASP HA 1 43 TYR H 0.000 . 2.500 2.496 2.327 2.567 0.067 20 0 "[ . 1 . 2 . ]" 1
116 1 42 ASP QB 1 43 TYR H 0.000 . 4.000 3.958 3.891 4.017 0.017 9 0 "[ . 1 . 2 . ]" 1
117 1 42 ASP H 1 43 TYR QD 0.000 . 5.000 4.566 4.091 4.708 . 0 0 "[ . 1 . 2 . ]" 1
118 1 42 ASP H 1 43 TYR QE 0.000 . 5.000 4.981 4.141 5.067 0.067 16 0 "[ . 1 . 2 . ]" 1
119 1 42 ASP H 1 43 TYR H 0.000 . 4.000 3.169 2.824 3.995 . 0 0 "[ . 1 . 2 . ]" 1
120 1 42 ASP QB 1 120 GLN HE21 0.000 . 5.000 4.548 3.809 5.034 0.034 5 0 "[ . 1 . 2 . ]" 1
121 1 42 ASP QB 1 120 GLN HE22 0.000 . 5.000 4.050 3.837 4.378 . 0 0 "[ . 1 . 2 . ]" 1
122 1 43 TYR H 1 43 TYR HA 0.000 . 3.000 2.835 2.777 2.949 . 0 0 "[ . 1 . 2 . ]" 1
123 1 43 TYR H 1 43 TYR QB 0.000 . 3.000 2.485 2.296 2.605 . 0 0 "[ . 1 . 2 . ]" 1
124 1 43 TYR H 1 43 TYR QD 0.000 . 4.000 3.020 2.811 3.228 . 0 0 "[ . 1 . 2 . ]" 1
125 1 43 TYR H 1 43 TYR QE 0.000 . 5.000 4.465 4.198 5.034 0.034 19 0 "[ . 1 . 2 . ]" 1
126 1 43 TYR HA 1 44 ILE H 0.000 . 2.500 2.466 2.373 2.542 0.042 4 0 "[ . 1 . 2 . ]" 1
127 1 43 TYR QB 1 44 ILE H 0.000 . 3.000 2.263 2.108 2.441 . 0 0 "[ . 1 . 2 . ]" 1
128 1 43 TYR QD 1 44 ILE H 0.000 . 5.000 3.992 3.508 4.128 . 0 0 "[ . 1 . 2 . ]" 1
129 1 43 TYR H 1 44 ILE MD 0.000 . 5.000 4.814 4.197 5.005 0.005 5 0 "[ . 1 . 2 . ]" 1
130 1 43 TYR H 1 44 ILE H 0.000 . 5.000 4.592 4.482 4.635 . 0 0 "[ . 1 . 2 . ]" 1
131 1 43 TYR HA 1 120 GLN HE21 0.000 . 5.000 3.394 2.365 4.451 . 0 0 "[ . 1 . 2 . ]" 1
132 1 43 TYR HA 1 120 GLN H 0.000 . 5.000 4.483 4.361 4.928 . 0 0 "[ . 1 . 2 . ]" 1
133 1 43 TYR QD 1 121 LEU H 0.000 . 5.000 5.051 5.001 5.100 0.100 25 0 "[ . 1 . 2 . ]" 1
134 1 43 TYR QB 1 122 LYS H 0.000 . 5.000 3.829 3.199 4.387 . 0 0 "[ . 1 . 2 . ]" 1
135 1 44 ILE H 1 44 ILE HB 0.000 . 3.000 2.592 2.438 2.763 . 0 0 "[ . 1 . 2 . ]" 1
136 1 44 ILE H 1 44 ILE MD 0.000 . 5.000 3.408 2.551 3.976 . 0 0 "[ . 1 . 2 . ]" 1
137 1 44 ILE HA 1 45 HIS H 0.000 . 2.500 2.189 2.145 2.328 . 0 0 "[ . 1 . 2 . ]" 1
138 1 44 ILE HB 1 45 HIS H 0.000 . 5.000 4.450 4.388 4.546 . 0 0 "[ . 1 . 2 . ]" 1
139 1 44 ILE MD 1 45 HIS H 0.000 . 5.000 3.786 3.680 4.100 . 0 0 "[ . 1 . 2 . ]" 1
140 1 44 ILE QG 1 45 HIS H 0.000 . 5.000 4.807 4.433 4.883 . 0 0 "[ . 1 . 2 . ]" 1
141 1 44 ILE MG 1 45 HIS H 0.000 . 5.000 3.311 3.057 3.629 . 0 0 "[ . 1 . 2 . ]" 1
142 1 44 ILE HA 1 61 GLN H 0.000 . 5.000 4.658 4.372 5.003 0.003 23 0 "[ . 1 . 2 . ]" 1
143 1 44 ILE MG 1 61 GLN H 0.000 . 4.000 3.210 2.894 3.804 . 0 0 "[ . 1 . 2 . ]" 1
144 1 44 ILE MG 1 63 ILE H 0.000 . 5.000 2.921 2.517 3.793 . 0 0 "[ . 1 . 2 . ]" 1
145 1 44 ILE HB 1 120 GLN HE21 0.000 . 5.000 3.945 3.658 4.118 . 0 0 "[ . 1 . 2 . ]" 1
146 1 44 ILE HB 1 120 GLN HE22 0.000 . 5.000 5.051 5.012 5.077 0.077 14 0 "[ . 1 . 2 . ]" 1
147 1 44 ILE MD 1 120 GLN HE21 0.000 . 5.000 2.435 1.909 3.141 . 0 0 "[ . 1 . 2 . ]" 1
148 1 44 ILE MD 1 120 GLN HE22 0.000 . 5.000 2.273 1.926 2.877 . 0 0 "[ . 1 . 2 . ]" 1
149 1 44 ILE HB 1 121 LEU H 0.000 . 5.000 4.988 4.463 5.037 0.037 27 0 "[ . 1 . 2 . ]" 1
150 1 44 ILE HB 1 122 LYS H 0.000 . 4.000 3.331 3.173 3.723 . 0 0 "[ . 1 . 2 . ]" 1
151 1 44 ILE H 1 122 LYS HA 0.000 . 5.000 5.043 5.019 5.084 0.084 25 0 "[ . 1 . 2 . ]" 1
152 1 44 ILE H 1 122 LYS QB 0.000 . 5.000 2.812 2.681 3.262 . 0 0 "[ . 1 . 2 . ]" 1
153 1 44 ILE H 1 122 LYS H 0.000 . 5.000 3.123 2.869 3.480 . 0 0 "[ . 1 . 2 . ]" 1
154 1 45 HIS HA 1 46 ILE H 0.000 . 2.500 2.140 2.116 2.249 . 0 0 "[ . 1 . 2 . ]" 1
155 1 45 HIS QB 1 46 ILE H 0.000 . 4.000 3.425 2.820 3.731 . 0 0 "[ . 1 . 2 . ]" 1
156 1 45 HIS HD2 1 46 ILE H 0.000 . 4.000 3.920 3.590 4.042 0.042 3 0 "[ . 1 . 2 . ]" 1
157 1 45 HIS H 1 46 ILE H . 3.500 5.000 4.514 4.427 4.596 . 0 0 "[ . 1 . 2 . ]" 1
158 1 45 HIS HD2 1 47 ARG H 0.000 . 5.000 4.939 4.591 5.040 0.040 25 0 "[ . 1 . 2 . ]" 1
159 1 45 HIS HA 1 61 GLN H 0.000 . 5.000 4.597 4.163 4.754 . 0 0 "[ . 1 . 2 . ]" 1
160 1 45 HIS QB 1 61 GLN H 0.000 . 5.000 3.402 2.558 3.841 . 0 0 "[ . 1 . 2 . ]" 1
161 1 45 HIS HD2 1 61 GLN HE21 0.000 . 5.000 4.861 4.358 5.051 0.051 19 0 "[ . 1 . 2 . ]" 1
162 1 45 HIS H 1 61 GLN QB 0.000 . 4.000 3.164 2.768 3.596 . 0 0 "[ . 1 . 2 . ]" 1
163 1 45 HIS H 1 61 GLN QG 0.000 . 5.000 4.332 3.461 5.050 0.050 19 0 "[ . 1 . 2 . ]" 1
164 1 45 HIS H 1 61 GLN H 0.000 . 4.000 3.797 3.289 4.024 0.024 12 0 "[ . 1 . 2 . ]" 1
165 1 45 HIS H 1 62 GLY QA 0.000 . 5.000 3.412 3.118 4.224 . 0 0 "[ . 1 . 2 . ]" 1
166 1 45 HIS HA 1 122 LYS H 0.000 . 4.000 3.987 3.521 4.141 0.141 29 0 "[ . 1 . 2 . ]" 1
167 1 45 HIS HA 1 124 HIS H 0.000 . 5.000 5.049 5.023 5.068 0.068 25 0 "[ . 1 . 2 . ]" 1
168 1 46 ILE H 1 46 ILE MD 0.000 . 4.000 3.223 2.820 3.639 . 0 0 "[ . 1 . 2 . ]" 1
169 1 46 ILE H 1 46 ILE HB 0.000 . 4.000 2.582 2.472 2.805 . 0 0 "[ . 1 . 2 . ]" 1
170 1 46 ILE H 1 46 ILE QG 0.000 . 4.000 2.691 2.065 4.029 0.029 26 0 "[ . 1 . 2 . ]" 1
171 1 46 ILE MD 1 47 ARG H 0.000 . 3.000 2.370 1.966 3.139 0.139 26 0 "[ . 1 . 2 . ]" 1
172 1 46 ILE HA 1 47 ARG H 0.000 . 5.000 3.145 2.129 3.537 . 0 0 "[ . 1 . 2 . ]" 1
173 1 46 ILE HB 1 47 ARG H 0.000 . 5.000 2.573 1.768 4.558 . 0 0 "[ . 1 . 2 . ]" 1
174 1 46 ILE QG 1 47 ARG H 0.000 . 4.000 3.816 3.670 4.154 0.154 28 0 "[ . 1 . 2 . ]" 1
175 1 46 ILE H 1 47 ARG H . 3.500 5.000 3.492 3.299 4.012 0.201 25 0 "[ . 1 . 2 . ]" 1
176 1 46 ILE HA 1 59 THR H 0.000 . 5.000 4.702 4.204 5.017 0.017 23 0 "[ . 1 . 2 . ]" 1
177 1 46 ILE HA 1 60 VAL H 0.000 . 5.000 4.862 4.572 5.024 0.024 26 0 "[ . 1 . 2 . ]" 1
178 1 46 ILE HA 1 61 GLN H 0.000 . 4.000 3.273 2.910 3.853 . 0 0 "[ . 1 . 2 . ]" 1
179 1 46 ILE QG 1 61 GLN H 0.000 . 5.000 4.669 3.070 5.043 0.043 4 0 "[ . 1 . 2 . ]" 1
180 1 46 ILE MD 1 107 CYS H 0.000 . 4.000 3.232 3.128 3.342 . 0 0 "[ . 1 . 2 . ]" 1
181 1 46 ILE MD 1 108 GLN H 0.000 . 5.000 5.088 5.038 5.222 0.222 24 0 "[ . 1 . 2 . ]" 1
182 1 46 ILE H 1 122 LYS QB 0.000 . 5.000 3.179 2.693 3.461 . 0 0 "[ . 1 . 2 . ]" 1
183 1 46 ILE H 1 122 LYS H 0.000 . 5.000 4.499 4.156 5.014 0.014 21 0 "[ . 1 . 2 . ]" 1
184 1 46 ILE H 1 123 VAL HA 0.000 . 4.000 2.991 2.652 3.274 . 0 0 "[ . 1 . 2 . ]" 1
185 1 46 ILE H 1 123 VAL H 0.000 . 5.000 4.643 2.213 4.979 . 0 0 "[ . 1 . 2 . ]" 1
186 1 46 ILE QG 1 124 HIS H 0.000 . 5.000 4.066 3.354 5.075 0.075 20 0 "[ . 1 . 2 . ]" 1
187 1 46 ILE H 1 124 HIS H 0.000 . 4.000 3.312 3.127 3.539 . 0 0 "[ . 1 . 2 . ]" 1
188 1 47 ARG H 1 47 ARG QD 0.000 . 5.000 4.468 3.707 5.008 0.008 21 0 "[ . 1 . 2 . ]" 1
189 1 47 ARG HA 1 48 ILE H 0.000 . 4.000 2.142 2.087 2.379 . 0 0 "[ . 1 . 2 . ]" 1
190 1 47 ARG QB 1 48 ILE H 0.000 . 5.000 3.513 2.625 3.779 . 0 0 "[ . 1 . 2 . ]" 1
191 1 47 ARG H 1 48 ILE H . 3.500 5.000 4.001 3.678 4.538 . 0 0 "[ . 1 . 2 . ]" 1
192 1 47 ARG QB 1 59 THR H 0.000 . 5.000 3.765 3.420 4.337 . 0 0 "[ . 1 . 2 . ]" 1
193 1 47 ARG H 1 59 THR H 0.000 . 5.000 4.367 2.816 5.020 0.020 10 0 "[ . 1 . 2 . ]" 1
194 1 47 ARG HA 1 124 HIS H 0.000 . 4.000 3.391 3.074 3.814 . 0 0 "[ . 1 . 2 . ]" 1
195 1 47 ARG QB 1 124 HIS H 0.000 . 5.000 4.419 3.908 5.002 0.002 19 0 "[ . 1 . 2 . ]" 1
196 1 47 ARG HA 1 125 GLY H 0.000 . 5.000 4.138 1.954 5.021 0.021 7 0 "[ . 1 . 2 . ]" 1
197 1 48 ILE H 1 48 ILE QG 0.000 . 5.000 3.208 2.500 4.134 . 0 0 "[ . 1 . 2 . ]" 1
198 1 48 ILE MD 1 49 GLN H 0.000 . 4.000 1.979 1.832 3.145 . 0 0 "[ . 1 . 2 . ]" 1
199 1 48 ILE HA 1 49 GLN H 0.000 . 2.500 2.355 2.258 2.510 0.010 23 0 "[ . 1 . 2 . ]" 1
200 1 48 ILE HB 1 49 GLN H 0.000 . 5.000 3.972 3.796 4.324 . 0 0 "[ . 1 . 2 . ]" 1
201 1 48 ILE H 1 49 GLN H 0.000 . 5.000 4.531 4.364 4.638 . 0 0 "[ . 1 . 2 . ]" 1
202 1 48 ILE MD 1 50 GLN HE21 0.000 . 5.000 4.441 3.796 5.003 0.003 22 0 "[ . 1 . 2 . ]" 1
203 1 48 ILE MD 1 50 GLN HE22 0.000 . 5.000 4.558 4.217 4.987 . 0 0 "[ . 1 . 2 . ]" 1
204 1 48 ILE MD 1 101 ASP H 0.000 . 5.000 3.872 3.633 4.046 . 0 0 "[ . 1 . 2 . ]" 1
205 1 48 ILE QG 1 102 GLN HE21 0.000 . 5.000 5.045 5.006 5.093 0.093 21 0 "[ . 1 . 2 . ]" 1
206 1 48 ILE QG 1 102 GLN H 0.000 . 5.000 3.209 2.888 3.445 . 0 0 "[ . 1 . 2 . ]" 1
207 1 48 ILE MD 1 103 ARG H 0.000 . 5.000 2.136 1.917 2.847 . 0 0 "[ . 1 . 2 . ]" 1
208 1 48 ILE QG 1 103 ARG H 0.000 . 5.000 3.077 2.584 3.796 . 0 0 "[ . 1 . 2 . ]" 1
209 1 48 ILE MD 1 104 LYS H 0.000 . 5.000 4.233 3.862 4.859 . 0 0 "[ . 1 . 2 . ]" 1
210 1 48 ILE H 1 124 HIS H 0.000 . 5.000 5.047 5.010 5.076 0.076 24 0 "[ . 1 . 2 . ]" 1
211 1 48 ILE MD 1 125 GLY H 0.000 . 5.000 4.847 4.083 5.070 0.070 19 0 "[ . 1 . 2 . ]" 1
212 1 48 ILE MD 1 126 PHE H 0.000 . 4.000 3.266 1.943 3.991 . 0 0 "[ . 1 . 2 . ]" 1
213 1 48 ILE QG 1 126 PHE H 0.000 . 5.000 4.331 3.586 5.055 0.055 7 0 "[ . 1 . 2 . ]" 1
214 1 49 GLN H 1 49 GLN QG 0.000 . 3.000 2.279 1.969 2.587 . 0 0 "[ . 1 . 2 . ]" 1
215 1 49 GLN HE21 1 51 ARG QD 0.000 . 5.000 4.487 3.433 5.018 0.018 9 0 "[ . 1 . 2 . ]" 1
216 1 49 GLN HE21 1 57 LEU QB 0.000 . 5.000 3.112 2.079 3.989 . 0 0 "[ . 1 . 2 . ]" 1
217 1 49 GLN HE21 1 57 LEU QB 0.000 . 5.000 3.129 2.083 4.019 . 0 0 "[ . 1 . 2 . ]" 1
218 1 49 GLN HE21 1 57 LEU QD 0.000 . 5.000 3.068 2.197 4.038 . 0 0 "[ . 1 . 2 . ]" 1
219 1 49 GLN HE22 1 57 LEU QB 0.000 . 5.000 3.515 2.796 4.082 . 0 0 "[ . 1 . 2 . ]" 1
220 1 49 GLN HE22 1 57 LEU QD 0.000 . 4.000 3.542 2.704 3.974 . 0 0 "[ . 1 . 2 . ]" 1
221 1 49 GLN HE21 1 59 THR MG 0.000 . 5.000 4.262 3.477 5.005 0.005 16 0 "[ . 1 . 2 . ]" 1
222 1 49 GLN HE22 1 59 THR MG 0.000 . 5.000 3.228 2.076 5.007 0.007 9 0 "[ . 1 . 2 . ]" 1
223 1 49 GLN H 1 59 THR H 0.000 . 5.000 4.787 4.483 5.029 0.029 22 0 "[ . 1 . 2 . ]" 1
224 1 50 GLN QB 1 50 GLN HE22 0.000 . 5.000 4.059 3.949 4.143 . 0 0 "[ . 1 . 2 . ]" 1
225 1 50 GLN H 1 50 GLN QG 0.000 . 5.000 3.889 3.723 4.043 . 0 0 "[ . 1 . 2 . ]" 1
226 1 50 GLN HA 1 51 ARG H 0.000 . 2.500 2.164 2.128 2.226 . 0 0 "[ . 1 . 2 . ]" 1
227 1 50 GLN QB 1 51 ARG H 0.000 . 5.000 3.790 3.575 3.948 . 0 0 "[ . 1 . 2 . ]" 1
228 1 50 GLN QG 1 51 ARG H 0.000 . 4.000 3.450 3.065 3.789 . 0 0 "[ . 1 . 2 . ]" 1
229 1 50 GLN HE21 1 53 GLY QA 0.000 . 5.000 4.798 3.866 5.030 0.030 25 0 "[ . 1 . 2 . ]" 1
230 1 50 GLN HE22 1 53 GLY QA 0.000 . 5.000 4.762 4.282 5.017 0.017 6 0 "[ . 1 . 2 . ]" 1
231 1 50 GLN HE21 1 54 ARG HA 0.000 . 5.000 2.884 1.946 3.680 . 0 0 "[ . 1 . 2 . ]" 1
232 1 50 GLN HE21 1 54 ARG H 0.000 . 5.000 4.326 3.342 4.972 . 0 0 "[ . 1 . 2 . ]" 1
233 1 50 GLN HE22 1 54 ARG HA 0.000 . 5.000 3.625 2.722 4.263 . 0 0 "[ . 1 . 2 . ]" 1
234 1 50 GLN HE21 1 56 THR HB 0.000 . 5.000 3.865 3.391 4.952 . 0 0 "[ . 1 . 2 . ]" 1
235 1 50 GLN HE21 1 56 THR MG 0.000 . 5.000 2.596 1.934 3.690 . 0 0 "[ . 1 . 2 . ]" 1
236 1 50 GLN HE22 1 56 THR HB 0.000 . 5.000 5.018 5.005 5.036 0.036 25 0 "[ . 1 . 2 . ]" 1
237 1 50 GLN HE22 1 56 THR MG 0.000 . 5.000 3.077 2.750 3.644 . 0 0 "[ . 1 . 2 . ]" 1
238 1 51 ARG H 1 51 ARG HA 0.000 . 3.000 2.850 2.755 2.940 . 0 0 "[ . 1 . 2 . ]" 1
239 1 51 ARG H 1 51 ARG QB 0.000 . 3.000 2.363 2.037 2.806 . 0 0 "[ . 1 . 2 . ]" 1
240 1 51 ARG H 1 51 ARG QD 0.000 . 5.000 3.189 1.984 4.118 . 0 0 "[ . 1 . 2 . ]" 1
241 1 51 ARG HA 1 52 ASN H 0.000 . 5.000 2.827 2.141 3.570 . 0 0 "[ . 1 . 2 . ]" 1
242 1 51 ARG QB 1 52 ASN H 0.000 . 5.000 2.755 1.883 3.573 . 0 0 "[ . 1 . 2 . ]" 1
243 1 51 ARG H 1 56 THR MG 0.000 . 5.000 4.857 4.562 5.039 0.039 17 0 "[ . 1 . 2 . ]" 1
244 1 51 ARG H 1 56 THR H 0.000 . 5.000 4.687 4.162 5.041 0.041 23 0 "[ . 1 . 2 . ]" 1
245 1 52 ASN HA 1 52 ASN HD22 0.000 . 5.000 4.583 4.137 4.928 . 0 0 "[ . 1 . 2 . ]" 1
246 1 52 ASN HA 1 53 GLY H 0.000 . 3.000 2.964 2.713 3.035 0.035 22 0 "[ . 1 . 2 . ]" 1
247 1 52 ASN QB 1 53 GLY H 0.000 . 5.000 3.334 1.921 3.944 . 0 0 "[ . 1 . 2 . ]" 1
248 1 52 ASN QB 1 54 ARG H 0.000 . 5.000 3.517 2.814 3.996 . 0 0 "[ . 1 . 2 . ]" 1
249 1 52 ASN HD21 1 54 ARG QG 0.000 . 5.000 3.537 2.257 5.021 0.021 27 0 "[ . 1 . 2 . ]" 1
250 1 52 ASN HD22 1 54 ARG QG 0.000 . 5.000 4.772 3.696 5.022 0.022 8 0 "[ . 1 . 2 . ]" 1
251 1 53 GLY QA 1 54 ARG H 0.000 . 4.000 2.781 2.647 2.920 . 0 0 "[ . 1 . 2 . ]" 1
252 1 53 GLY H 1 54 ARG QB 0.000 . 5.000 4.975 4.668 5.070 0.070 5 0 "[ . 1 . 2 . ]" 1
253 1 53 GLY H 1 54 ARG QG 0.000 . 5.000 4.065 3.123 4.712 . 0 0 "[ . 1 . 2 . ]" 1
254 1 53 GLY H 1 54 ARG H 0.000 . 4.000 2.748 2.323 3.127 . 0 0 "[ . 1 . 2 . ]" 1
255 1 54 ARG H 1 54 ARG HA 0.000 . 3.000 2.850 2.734 2.945 . 0 0 "[ . 1 . 2 . ]" 1
256 1 54 ARG H 1 54 ARG QD 0.000 . 5.000 4.460 3.689 4.801 . 0 0 "[ . 1 . 2 . ]" 1
257 1 54 ARG H 1 54 ARG QG 0.000 . 5.000 2.734 2.043 3.094 . 0 0 "[ . 1 . 2 . ]" 1
258 1 54 ARG HA 1 55 LYS H 0.000 . 5.000 3.477 2.649 3.576 . 0 0 "[ . 1 . 2 . ]" 1
259 1 54 ARG QB 1 55 LYS H 0.000 . 5.000 3.053 2.012 3.575 . 0 0 "[ . 1 . 2 . ]" 1
260 1 55 LYS HA 1 56 THR H 0.000 . 2.500 2.442 2.310 2.513 0.013 5 0 "[ . 1 . 2 . ]" 1
261 1 55 LYS QB 1 56 THR H 0.000 . 5.000 3.953 3.842 4.036 . 0 0 "[ . 1 . 2 . ]" 1
262 1 55 LYS QD 1 56 THR H 0.000 . 5.000 4.235 3.346 4.796 . 0 0 "[ . 1 . 2 . ]" 1
263 1 55 LYS QE 1 56 THR H 0.000 . 5.000 4.591 3.817 5.006 0.006 17 0 "[ . 1 . 2 . ]" 1
264 1 55 LYS QG 1 56 THR H 0.000 . 5.000 4.478 4.070 4.907 . 0 0 "[ . 1 . 2 . ]" 1
265 1 55 LYS H 1 56 THR H . 3.500 5.000 3.762 3.406 4.038 0.094 9 0 "[ . 1 . 2 . ]" 1
266 1 56 THR H 1 56 THR HB 0.000 . 3.000 3.022 2.918 3.062 0.062 21 0 "[ . 1 . 2 . ]" 1
267 1 56 THR H 1 56 THR MG 0.000 . 4.000 3.602 3.528 3.709 . 0 0 "[ . 1 . 2 . ]" 1
268 1 56 THR HA 1 57 LEU H 0.000 . 5.000 2.230 2.143 2.394 . 0 0 "[ . 1 . 2 . ]" 1
269 1 56 THR HB 1 57 LEU H 0.000 . 5.000 3.480 3.072 3.726 . 0 0 "[ . 1 . 2 . ]" 1
270 1 56 THR MG 1 57 LEU H 0.000 . 3.000 2.694 2.215 3.022 0.022 2 0 "[ . 1 . 2 . ]" 1
271 1 56 THR MG 1 58 THR H 0.000 . 5.000 4.176 3.552 4.885 . 0 0 "[ . 1 . 2 . ]" 1
272 1 56 THR H 1 99 GLN HE22 0.000 . 5.000 4.462 3.626 5.000 0.000 22 0 "[ . 1 . 2 . ]" 1
273 1 56 THR HB 1 100 GLY H 0.000 . 5.000 2.952 2.479 3.432 . 0 0 "[ . 1 . 2 . ]" 1
274 1 56 THR MG 1 100 GLY H 0.000 . 5.000 4.370 4.012 4.718 . 0 0 "[ . 1 . 2 . ]" 1
275 1 56 THR H 1 100 GLY QA 0.000 . 5.000 3.431 2.936 3.761 . 0 0 "[ . 1 . 2 . ]" 1
276 1 56 THR HB 1 101 ASP H 0.000 . 5.000 3.003 2.540 3.493 . 0 0 "[ . 1 . 2 . ]" 1
277 1 56 THR MG 1 101 ASP H 0.000 . 4.000 3.324 2.975 3.687 . 0 0 "[ . 1 . 2 . ]" 1
278 1 56 THR MG 1 102 GLN H 0.000 . 5.000 4.162 3.958 4.292 . 0 0 "[ . 1 . 2 . ]" 1
279 1 56 THR MG 1 103 ARG H 0.000 . 5.000 4.985 4.865 5.050 0.050 17 0 "[ . 1 . 2 . ]" 1
280 1 57 LEU H 1 57 LEU QD 0.000 . 5.000 3.781 3.306 4.010 . 0 0 "[ . 1 . 2 . ]" 1
281 1 57 LEU QB 1 58 THR H 0.000 . 4.000 3.606 3.236 3.774 . 0 0 "[ . 1 . 2 . ]" 1
282 1 57 LEU HA 1 58 THR H 0.000 . 5.000 2.267 2.163 2.428 . 0 0 "[ . 1 . 2 . ]" 1
283 1 57 LEU QB 1 58 THR H 0.000 . 5.000 3.803 3.580 3.911 . 0 0 "[ . 1 . 2 . ]" 1
284 1 57 LEU QD 1 58 THR H 0.000 . 5.000 3.875 3.230 4.260 . 0 0 "[ . 1 . 2 . ]" 1
285 1 57 LEU QB 1 97 GLN HE21 0.000 . 5.000 3.707 2.305 4.786 . 0 0 "[ . 1 . 2 . ]" 1
286 1 57 LEU QB 1 97 GLN HE22 0.000 . 5.000 4.041 3.102 4.750 . 0 0 "[ . 1 . 2 . ]" 1
287 1 57 LEU QB 1 97 GLN HE21 0.000 . 5.000 3.820 2.311 4.945 . 0 0 "[ . 1 . 2 . ]" 1
288 1 57 LEU QB 1 97 GLN HE22 0.000 . 5.000 4.172 3.164 4.940 . 0 0 "[ . 1 . 2 . ]" 1
289 1 57 LEU HA 1 99 GLN H 0.000 . 5.000 4.725 4.635 4.787 . 0 0 "[ . 1 . 2 . ]" 1
290 1 57 LEU QB 1 100 GLY H 0.000 . 5.000 3.711 3.247 4.084 . 0 0 "[ . 1 . 2 . ]" 1
291 1 57 LEU HA 1 100 GLY H 0.000 . 3.000 2.988 2.761 3.020 0.020 8 0 "[ . 1 . 2 . ]" 1
292 1 57 LEU QB 1 100 GLY H 0.000 . 5.000 4.761 4.589 4.937 . 0 0 "[ . 1 . 2 . ]" 1
293 1 57 LEU QD 1 100 GLY H 0.000 . 4.000 3.513 2.657 4.005 0.005 19 0 "[ . 1 . 2 . ]" 1
294 1 58 THR H 1 58 THR HB 0.000 . 4.000 2.630 2.475 2.947 . 0 0 "[ . 1 . 2 . ]" 1
295 1 58 THR H 1 58 THR HG1 0.000 . 4.000 2.106 1.941 2.998 . 0 0 "[ . 1 . 2 . ]" 1
296 1 58 THR HA 1 59 THR H 0.000 . 2.500 2.170 2.144 2.235 . 0 0 "[ . 1 . 2 . ]" 1
297 1 58 THR HG1 1 59 THR H 0.000 . 5.000 4.780 4.596 5.006 0.006 16 0 "[ . 1 . 2 . ]" 1
298 1 58 THR MG 1 59 THR H 0.000 . 3.000 2.716 2.113 2.977 . 0 0 "[ . 1 . 2 . ]" 1
299 1 58 THR HB 1 98 LEU H 0.000 . 4.000 3.529 3.170 3.776 . 0 0 "[ . 1 . 2 . ]" 1
300 1 58 THR H 1 98 LEU QD 0.000 . 5.000 4.417 4.056 4.702 . 0 0 "[ . 1 . 2 . ]" 1
301 1 58 THR H 1 98 LEU H 0.000 . 4.000 3.868 3.214 4.021 0.021 6 0 "[ . 1 . 2 . ]" 1
302 1 58 THR H 1 99 GLN HA 0.000 . 5.000 3.806 3.663 4.002 . 0 0 "[ . 1 . 2 . ]" 1
303 1 58 THR H 1 100 GLY H 0.000 . 5.000 3.976 3.376 4.361 . 0 0 "[ . 1 . 2 . ]" 1
304 1 58 THR HG1 1 101 ASP H 0.000 . 5.000 4.769 4.501 5.013 0.013 3 0 "[ . 1 . 2 . ]" 1
305 1 58 THR HA 1 102 GLN H 0.000 . 5.000 4.430 4.278 4.635 . 0 0 "[ . 1 . 2 . ]" 1
306 1 58 THR HB 1 102 GLN H 0.000 . 4.000 3.158 2.842 3.895 . 0 0 "[ . 1 . 2 . ]" 1
307 1 58 THR HG1 1 102 GLN H 0.000 . 3.000 1.966 1.903 2.032 . 0 0 "[ . 1 . 2 . ]" 1
308 1 58 THR MG 1 102 GLN H 0.000 . 5.000 3.058 2.661 3.415 . 0 0 "[ . 1 . 2 . ]" 1
309 1 58 THR H 1 102 GLN H 0.000 . 5.000 3.652 3.438 4.037 . 0 0 "[ . 1 . 2 . ]" 1
310 1 58 THR HB 1 103 ARG H 0.000 . 5.000 4.452 4.157 4.682 . 0 0 "[ . 1 . 2 . ]" 1
311 1 58 THR HG1 1 103 ARG H 0.000 . 5.000 3.509 2.676 3.879 . 0 0 "[ . 1 . 2 . ]" 1
312 1 58 THR MG 1 103 ARG H 0.000 . 5.000 2.736 2.120 3.149 . 0 0 "[ . 1 . 2 . ]" 1
313 1 59 THR H 1 59 THR HB 0.000 . 4.000 3.471 3.414 3.578 . 0 0 "[ . 1 . 2 . ]" 1
314 1 59 THR H 1 59 THR MG 0.000 . 4.000 3.424 3.261 3.662 . 0 0 "[ . 1 . 2 . ]" 1
315 1 59 THR HA 1 60 VAL H 0.000 . 2.500 2.341 2.157 2.502 0.002 22 0 "[ . 1 . 2 . ]" 1
316 1 59 THR HB 1 60 VAL H 0.000 . 4.000 2.726 2.328 3.405 . 0 0 "[ . 1 . 2 . ]" 1
317 1 59 THR MG 1 60 VAL H 0.000 . 4.000 3.082 2.844 3.364 . 0 0 "[ . 1 . 2 . ]" 1
318 1 59 THR H 1 60 VAL H 0.000 . 5.000 4.516 4.369 4.565 . 0 0 "[ . 1 . 2 . ]" 1
319 1 59 THR MG 1 95 VAL H 0.000 . 5.000 5.025 5.006 5.044 0.044 9 0 "[ . 1 . 2 . ]" 1
320 1 59 THR HA 1 96 ILE H 0.000 . 5.000 4.688 4.182 4.899 . 0 0 "[ . 1 . 2 . ]" 1
321 1 59 THR HB 1 96 ILE H 0.000 . 5.000 5.016 4.937 5.039 0.039 5 0 "[ . 1 . 2 . ]" 1
322 1 59 THR MG 1 96 ILE H 0.000 . 5.000 4.393 4.191 4.564 . 0 0 "[ . 1 . 2 . ]" 1
323 1 59 THR HA 1 97 GLN H 0.000 . 5.000 4.591 4.361 4.708 . 0 0 "[ . 1 . 2 . ]" 1
324 1 59 THR HA 1 98 LEU H 0.000 . 5.000 3.045 2.863 3.418 . 0 0 "[ . 1 . 2 . ]" 1
325 1 59 THR MG 1 98 LEU H 0.000 . 4.000 3.723 3.489 3.996 . 0 0 "[ . 1 . 2 . ]" 1
326 1 60 VAL H 1 60 VAL QG 0.000 . 3.000 2.738 2.131 2.994 . 0 0 "[ . 1 . 2 . ]" 1
327 1 60 VAL HA 1 61 GLN H 0.000 . 5.000 2.137 2.118 2.154 . 0 0 "[ . 1 . 2 . ]" 1
328 1 60 VAL QG 1 61 GLN H 0.000 . 3.000 2.771 2.535 2.931 . 0 0 "[ . 1 . 2 . ]" 1
329 1 60 VAL H 1 61 GLN H 0.000 . 5.000 4.217 4.081 4.467 . 0 0 "[ . 1 . 2 . ]" 1
330 1 60 VAL H 1 95 VAL HB 0.000 . 5.000 2.679 2.370 3.184 . 0 0 "[ . 1 . 2 . ]" 1
331 1 60 VAL H 1 95 VAL QG 0.000 . 4.000 3.482 3.234 3.843 . 0 0 "[ . 1 . 2 . ]" 1
332 1 60 VAL HB 1 96 ILE H 0.000 . 5.000 2.690 2.228 3.133 . 0 0 "[ . 1 . 2 . ]" 1
333 1 60 VAL H 1 96 ILE HB 0.000 . 4.000 3.553 3.031 4.029 0.029 17 0 "[ . 1 . 2 . ]" 1
334 1 60 VAL H 1 96 ILE H 0.000 . 4.000 2.836 2.435 3.040 . 0 0 "[ . 1 . 2 . ]" 1
335 1 60 VAL H 1 97 GLN HA 0.000 . 4.000 4.021 3.654 4.081 0.081 28 0 "[ . 1 . 2 . ]" 1
336 1 60 VAL H 1 98 LEU H 0.000 . 5.000 4.871 4.522 5.019 0.019 2 0 "[ . 1 . 2 . ]" 1
337 1 61 GLN QB 1 61 GLN HE22 0.000 . 5.000 3.192 3.113 3.238 . 0 0 "[ . 1 . 2 . ]" 1
338 1 61 GLN HE21 1 61 GLN QG 0.000 . 3.000 2.750 2.678 2.850 . 0 0 "[ . 1 . 2 . ]" 1
339 1 61 GLN H 1 61 GLN QG 0.000 . 5.000 2.913 1.963 4.059 . 0 0 "[ . 1 . 2 . ]" 1
340 1 61 GLN HA 1 62 GLY H 0.000 . 5.000 2.252 2.187 2.612 . 0 0 "[ . 1 . 2 . ]" 1
341 1 61 GLN QB 1 62 GLY H 0.000 . 5.000 3.168 2.899 3.929 . 0 0 "[ . 1 . 2 . ]" 1
342 1 61 GLN HE21 1 62 GLY H 0.000 . 5.000 5.033 5.010 5.096 0.096 10 0 "[ . 1 . 2 . ]" 1
343 1 61 GLN QG 1 62 GLY H 0.000 . 5.000 3.815 2.154 4.565 . 0 0 "[ . 1 . 2 . ]" 1
344 1 61 GLN H 1 62 GLY H . 3.500 5.000 4.379 3.463 4.516 0.037 29 0 "[ . 1 . 2 . ]" 1
345 1 61 GLN HE21 1 92 TYR QB 0.000 . 5.000 3.077 1.968 4.252 . 0 0 "[ . 1 . 2 . ]" 1
346 1 61 GLN HE21 1 92 TYR QD 0.000 . 5.000 3.855 3.291 4.288 . 0 0 "[ . 1 . 2 . ]" 1
347 1 61 GLN HE21 1 92 TYR QE 0.000 . 5.000 4.864 4.408 5.027 0.027 9 0 "[ . 1 . 2 . ]" 1
348 1 61 GLN HE22 1 92 TYR QB 0.000 . 5.000 3.294 2.522 4.348 . 0 0 "[ . 1 . 2 . ]" 1
349 1 61 GLN HE22 1 92 TYR QD 0.000 . 4.000 3.193 2.297 4.016 0.016 11 0 "[ . 1 . 2 . ]" 1
350 1 61 GLN HE22 1 92 TYR QE 0.000 . 5.000 4.090 3.340 5.034 0.034 10 0 "[ . 1 . 2 . ]" 1
351 1 61 GLN HE21 1 95 VAL QG 0.000 . 5.000 3.706 2.755 4.163 . 0 0 "[ . 1 . 2 . ]" 1
352 1 61 GLN HE22 1 95 VAL QG 0.000 . 5.000 4.351 3.193 5.002 0.002 7 0 "[ . 1 . 2 . ]" 1
353 1 61 GLN H 1 95 VAL QG 0.000 . 4.000 3.764 3.417 4.007 0.007 2 0 "[ . 1 . 2 . ]" 1
354 1 62 GLY H 1 63 ILE QG 0.000 . 5.000 4.521 3.727 4.964 . 0 0 "[ . 1 . 2 . ]" 1
355 1 62 GLY H 1 63 ILE HB 0.000 . 5.000 4.436 3.838 4.742 . 0 0 "[ . 1 . 2 . ]" 1
356 1 62 GLY H 1 63 ILE MD 0.000 . 5.000 4.940 3.810 5.084 0.084 10 0 "[ . 1 . 2 . ]" 1
357 1 62 GLY H 1 63 ILE H 0.000 . 4.000 2.690 2.059 4.113 0.113 29 0 "[ . 1 . 2 . ]" 1
358 1 62 GLY H 1 95 VAL QG 0.000 . 4.000 3.342 3.054 3.610 . 0 0 "[ . 1 . 2 . ]" 1
359 1 63 ILE H 1 63 ILE MD 0.000 . 5.000 2.784 1.901 3.303 . 0 0 "[ . 1 . 2 . ]" 1
360 1 63 ILE H 1 63 ILE QG 0.000 . 5.000 2.561 2.053 3.708 . 0 0 "[ . 1 . 2 . ]" 1
361 1 63 ILE QG 1 64 ALA H 0.000 . 3.000 1.907 1.804 2.005 . 0 0 "[ . 1 . 2 . ]" 1
362 1 63 ILE HA 1 64 ALA H 0.000 . 2.500 2.237 2.190 2.282 . 0 0 "[ . 1 . 2 . ]" 1
363 1 63 ILE HB 1 64 ALA H 0.000 . 4.000 4.013 3.886 4.083 0.083 29 0 "[ . 1 . 2 . ]" 1
364 1 63 ILE MD 1 64 ALA H 0.000 . 4.000 3.308 3.014 4.025 0.025 11 0 "[ . 1 . 2 . ]" 1
365 1 63 ILE QG 1 64 ALA H 0.000 . 5.000 4.289 3.658 4.463 . 0 0 "[ . 1 . 2 . ]" 1
366 1 63 ILE H 1 64 ALA H 0.000 . 5.000 4.606 4.267 4.645 . 0 0 "[ . 1 . 2 . ]" 1
367 1 63 ILE QG 1 65 ASP H 0.000 . 5.000 4.538 4.322 4.755 . 0 0 "[ . 1 . 2 . ]" 1
368 1 63 ILE QG 1 66 ASP H 0.000 . 5.000 4.907 4.339 5.044 0.044 5 0 "[ . 1 . 2 . ]" 1
369 1 63 ILE QG 1 67 TYR H 0.000 . 4.000 4.006 3.658 4.108 0.108 22 0 "[ . 1 . 2 . ]" 1
370 1 64 ALA H 1 64 ALA HA 0.000 . 3.000 2.892 2.830 2.939 . 0 0 "[ . 1 . 2 . ]" 1
371 1 64 ALA H 1 64 ALA MB 0.000 . 3.000 2.215 2.063 2.293 . 0 0 "[ . 1 . 2 . ]" 1
372 1 64 ALA HA 1 65 ASP H 0.000 . 4.000 2.219 2.148 2.401 . 0 0 "[ . 1 . 2 . ]" 1
373 1 64 ALA MB 1 65 ASP H 0.000 . 4.000 2.874 2.353 3.081 . 0 0 "[ . 1 . 2 . ]" 1
374 1 64 ALA H 1 65 ASP H 0.000 . 5.000 4.562 4.502 4.620 . 0 0 "[ . 1 . 2 . ]" 1
375 1 64 ALA MB 1 66 ASP H 0.000 . 4.000 2.452 2.148 2.635 . 0 0 "[ . 1 . 2 . ]" 1
376 1 64 ALA H 1 66 ASP H 0.000 . 5.000 4.942 4.568 5.035 0.035 1 0 "[ . 1 . 2 . ]" 1
377 1 64 ALA MB 1 67 TYR H 0.000 . 5.000 3.242 2.775 4.036 . 0 0 "[ . 1 . 2 . ]" 1
378 1 64 ALA H 1 67 TYR QB 0.000 . 5.000 4.309 3.410 4.583 . 0 0 "[ . 1 . 2 . ]" 1
379 1 64 ALA H 1 67 TYR QD 0.000 . 5.000 3.623 3.091 3.768 . 0 0 "[ . 1 . 2 . ]" 1
380 1 64 ALA H 1 67 TYR QE 0.000 . 5.000 3.088 2.917 3.371 . 0 0 "[ . 1 . 2 . ]" 1
381 1 64 ALA H 1 72 LEU QD 0.000 . 5.000 4.927 4.017 5.114 0.114 24 0 "[ . 1 . 2 . ]" 1
382 1 64 ALA H 1 115 LEU QD 0.000 . 5.000 4.740 4.340 4.877 . 0 0 "[ . 1 . 2 . ]" 1
383 1 64 ALA H 1 115 LEU HG 0.000 . 5.000 5.013 4.721 5.065 0.065 22 0 "[ . 1 . 2 . ]" 1
384 1 65 ASP HA 1 66 ASP H 0.000 . 4.000 3.397 3.044 3.473 . 0 0 "[ . 1 . 2 . ]" 1
385 1 65 ASP QB 1 66 ASP H 0.000 . 4.000 3.290 2.886 3.974 . 0 0 "[ . 1 . 2 . ]" 1
386 1 65 ASP H 1 66 ASP H 0.000 . 4.000 2.609 2.448 2.671 . 0 0 "[ . 1 . 2 . ]" 1
387 1 65 ASP H 1 67 TYR H 0.000 . 5.000 4.418 4.058 4.869 . 0 0 "[ . 1 . 2 . ]" 1
388 1 66 ASP HA 1 67 TYR H 0.000 . 5.000 3.249 2.834 3.483 . 0 0 "[ . 1 . 2 . ]" 1
389 1 66 ASP QB 1 67 TYR H 0.000 . 5.000 3.309 2.827 3.848 . 0 0 "[ . 1 . 2 . ]" 1
390 1 66 ASP H 1 67 TYR QD 0.000 . 5.000 3.790 3.213 4.062 . 0 0 "[ . 1 . 2 . ]" 1
391 1 66 ASP H 1 67 TYR H 0.000 . 4.000 2.666 2.414 2.979 . 0 0 "[ . 1 . 2 . ]" 1
392 1 67 TYR H 1 67 TYR QD 0.000 . 5.000 2.513 2.011 3.145 . 0 0 "[ . 1 . 2 . ]" 1
393 1 67 TYR HA 1 68 ASP H 0.000 . 3.000 2.685 2.159 3.068 0.068 9 0 "[ . 1 . 2 . ]" 1
394 1 67 TYR QB 1 68 ASP H 0.000 . 4.000 2.883 1.956 3.829 . 0 0 "[ . 1 . 2 . ]" 1
395 1 67 TYR QD 1 68 ASP H 0.000 . 5.000 4.220 3.884 4.465 . 0 0 "[ . 1 . 2 . ]" 1
396 1 67 TYR H 1 68 ASP H 0.000 . 5.000 3.889 2.705 4.649 . 0 0 "[ . 1 . 2 . ]" 1
397 1 67 TYR H 1 72 LEU QD 0.000 . 5.000 4.102 3.160 4.736 . 0 0 "[ . 1 . 2 . ]" 1
398 1 67 TYR H 1 115 LEU QD 0.000 . 5.000 5.034 4.913 5.094 0.094 27 0 "[ . 1 . 2 . ]" 1
399 1 68 ASP H 1 68 ASP QB 0.000 . 3.000 2.652 2.106 3.084 0.084 15 0 "[ . 1 . 2 . ]" 1
400 1 68 ASP HA 1 69 LYS H 0.000 . 5.000 2.816 2.182 3.485 . 0 0 "[ . 1 . 2 . ]" 1
401 1 68 ASP QB 1 69 LYS H 0.000 . 5.000 3.543 2.806 4.000 . 0 0 "[ . 1 . 2 . ]" 1
402 1 68 ASP H 1 69 LYS H 0.000 . 5.000 3.368 2.713 4.293 . 0 0 "[ . 1 . 2 . ]" 1
403 1 68 ASP QB 1 70 LYS H 0.000 . 5.000 3.868 3.165 4.672 . 0 0 "[ . 1 . 2 . ]" 1
404 1 68 ASP HA 1 71 LYS H 0.000 . 5.000 4.436 3.892 4.950 . 0 0 "[ . 1 . 2 . ]" 1
405 1 68 ASP QB 1 71 LYS H 0.000 . 4.000 2.568 2.056 3.094 . 0 0 "[ . 1 . 2 . ]" 1
406 1 69 LYS H 1 69 LYS QB 0.000 . 3.000 2.645 2.064 3.023 0.023 2 0 "[ . 1 . 2 . ]" 1
407 1 69 LYS H 1 70 LYS H 0.000 . 4.000 3.448 2.885 4.027 0.027 12 0 "[ . 1 . 2 . ]" 1
408 1 69 LYS H 1 71 LYS H 0.000 . 5.000 4.688 4.128 5.031 0.031 3 0 "[ . 1 . 2 . ]" 1
409 1 69 LYS H 1 72 LEU QD 0.000 . 4.000 3.362 1.922 4.040 0.040 7 0 "[ . 1 . 2 . ]" 1
410 1 70 LYS H 1 70 LYS HA 0.000 . 3.000 2.794 2.741 2.879 . 0 0 "[ . 1 . 2 . ]" 1
411 1 70 LYS H 1 70 LYS QE 0.000 . 5.000 4.133 2.117 4.989 . 0 0 "[ . 1 . 2 . ]" 1
412 1 70 LYS HA 1 71 LYS H 0.000 . 5.000 3.562 3.533 3.574 . 0 0 "[ . 1 . 2 . ]" 1
413 1 70 LYS QB 1 71 LYS H 0.000 . 5.000 2.388 1.972 3.381 . 0 0 "[ . 1 . 2 . ]" 1
414 1 70 LYS H 1 71 LYS H 0.000 . 5.000 2.877 2.462 3.096 . 0 0 "[ . 1 . 2 . ]" 1
415 1 72 LEU H 1 72 LEU HA 0.000 . 3.000 2.853 2.757 2.947 . 0 0 "[ . 1 . 2 . ]" 1
416 1 72 LEU H 1 72 LEU QD 0.000 . 5.000 3.221 2.147 3.908 . 0 0 "[ . 1 . 2 . ]" 1
417 1 72 LEU H 1 72 LEU HG 0.000 . 5.000 4.350 4.187 4.847 . 0 0 "[ . 1 . 2 . ]" 1
418 1 72 LEU HA 1 73 VAL H 0.000 . 4.000 3.569 3.551 3.580 . 0 0 "[ . 1 . 2 . ]" 1
419 1 72 LEU QB 1 73 VAL H 0.000 . 5.000 2.069 1.743 2.533 . 0 0 "[ . 1 . 2 . ]" 1
420 1 72 LEU QD 1 73 VAL H 0.000 . 5.000 3.199 2.653 3.730 . 0 0 "[ . 1 . 2 . ]" 1
421 1 72 LEU HG 1 73 VAL H 0.000 . 5.000 4.714 4.440 5.012 0.012 24 0 "[ . 1 . 2 . ]" 1
422 1 72 LEU QD 1 75 ALA H 0.000 . 5.000 4.939 4.667 5.089 0.089 24 0 "[ . 1 . 2 . ]" 1
423 1 72 LEU QD 1 76 PHE H 0.000 . 5.000 4.942 4.695 5.162 0.162 14 0 "[ . 1 . 2 . ]" 1
424 1 73 VAL HA 1 74 LYS H 0.000 . 4.000 3.536 3.477 3.570 . 0 0 "[ . 1 . 2 . ]" 1
425 1 73 VAL HB 1 74 LYS H 0.000 . 5.000 3.647 2.606 3.960 . 0 0 "[ . 1 . 2 . ]" 1
426 1 73 VAL QG 1 74 LYS H 0.000 . 5.000 2.057 1.892 2.832 . 0 0 "[ . 1 . 2 . ]" 1
427 1 73 VAL H 1 74 LYS H 0.000 . 2.500 2.422 2.117 2.550 0.050 27 0 "[ . 1 . 2 . ]" 1
428 1 73 VAL HA 1 75 ALA H 0.000 . 5.000 4.311 4.107 4.671 . 0 0 "[ . 1 . 2 . ]" 1
429 1 73 VAL QG 1 75 ALA H 0.000 . 5.000 4.160 3.964 4.479 . 0 0 "[ . 1 . 2 . ]" 1
430 1 73 VAL H 1 75 ALA H 0.000 . 5.000 4.072 3.897 4.321 . 0 0 "[ . 1 . 2 . ]" 1
431 1 73 VAL HA 1 76 PHE H 0.000 . 4.000 3.250 3.040 3.473 . 0 0 "[ . 1 . 2 . ]" 1
432 1 73 VAL QG 1 76 PHE H 0.000 . 5.000 4.139 3.729 4.537 . 0 0 "[ . 1 . 2 . ]" 1
433 1 73 VAL H 1 76 PHE H 0.000 . 5.000 4.707 4.387 4.933 . 0 0 "[ . 1 . 2 . ]" 1
434 1 73 VAL HA 1 77 LYS H 0.000 . 5.000 4.487 3.897 4.954 . 0 0 "[ . 1 . 2 . ]" 1
435 1 73 VAL QG 1 77 LYS H 0.000 . 5.000 4.277 3.627 4.915 . 0 0 "[ . 1 . 2 . ]" 1
436 1 73 VAL QG 1 84 GLY H 0.000 . 4.000 3.340 2.378 3.932 . 0 0 "[ . 1 . 2 . ]" 1
437 1 73 VAL QG 1 85 THR H 0.000 . 4.000 2.925 2.278 3.330 . 0 0 "[ . 1 . 2 . ]" 1
438 1 73 VAL QG 1 86 VAL H 0.000 . 5.000 3.642 2.759 4.454 . 0 0 "[ . 1 . 2 . ]" 1
439 1 73 VAL H 1 96 ILE MG 0.000 . 5.000 4.970 4.480 5.046 0.046 17 0 "[ . 1 . 2 . ]" 1
440 1 73 VAL QG 1 97 GLN H 0.000 . 4.000 4.001 3.749 4.070 0.070 19 0 "[ . 1 . 2 . ]" 1
441 1 74 LYS HA 1 75 ALA H 0.000 . 4.000 3.536 3.525 3.561 . 0 0 "[ . 1 . 2 . ]" 1
442 1 74 LYS QB 1 75 ALA H 0.000 . 2.500 2.521 2.349 2.560 0.060 22 0 "[ . 1 . 2 . ]" 1
443 1 74 LYS H 1 75 ALA H 0.000 . 3.000 2.751 2.592 2.886 . 0 0 "[ . 1 . 2 . ]" 1
444 1 74 LYS HA 1 76 PHE H 0.000 . 5.000 4.273 4.003 4.768 . 0 0 "[ . 1 . 2 . ]" 1
445 1 74 LYS QB 1 76 PHE H 0.000 . 5.000 4.585 4.494 4.759 . 0 0 "[ . 1 . 2 . ]" 1
446 1 74 LYS H 1 76 PHE H 0.000 . 5.000 4.048 3.896 4.262 . 0 0 "[ . 1 . 2 . ]" 1
447 1 74 LYS HA 1 77 LYS H 0.000 . 5.000 3.672 3.479 3.897 . 0 0 "[ . 1 . 2 . ]" 1
448 1 75 ALA H 1 75 ALA HA 0.000 . 3.000 2.825 2.810 2.859 . 0 0 "[ . 1 . 2 . ]" 1
449 1 75 ALA H 1 75 ALA MB 0.000 . 2.500 2.172 2.029 2.256 . 0 0 "[ . 1 . 2 . ]" 1
450 1 75 ALA HA 1 76 PHE H 0.000 . 4.000 3.513 3.476 3.567 . 0 0 "[ . 1 . 2 . ]" 1
451 1 75 ALA MB 1 76 PHE H 0.000 . 3.000 2.700 2.437 2.905 . 0 0 "[ . 1 . 2 . ]" 1
452 1 75 ALA H 1 76 PHE QB 0.000 . 5.000 4.312 4.190 4.361 . 0 0 "[ . 1 . 2 . ]" 1
453 1 75 ALA H 1 76 PHE H 0.000 . 3.000 2.599 2.473 2.658 . 0 0 "[ . 1 . 2 . ]" 1
454 1 75 ALA HA 1 77 LYS H 0.000 . 5.000 4.421 4.090 4.823 . 0 0 "[ . 1 . 2 . ]" 1
455 1 75 ALA H 1 77 LYS H 0.000 . 5.000 4.389 4.126 4.633 . 0 0 "[ . 1 . 2 . ]" 1
456 1 75 ALA HA 1 78 LYS H 0.000 . 4.000 3.360 3.244 3.547 . 0 0 "[ . 1 . 2 . ]" 1
457 1 75 ALA H 1 78 LYS H 0.000 . 5.000 4.980 4.789 5.040 0.040 11 0 "[ . 1 . 2 . ]" 1
458 1 75 ALA HA 1 79 LYS H 0.000 . 5.000 4.514 4.223 4.954 . 0 0 "[ . 1 . 2 . ]" 1
459 1 76 PHE H 1 76 PHE QB 0.000 . 3.000 2.173 2.136 2.205 . 0 0 "[ . 1 . 2 . ]" 1
460 1 76 PHE H 1 76 PHE QD 0.000 . 4.000 3.982 3.825 4.032 0.032 10 0 "[ . 1 . 2 . ]" 1
461 1 76 PHE HA 1 77 LYS H 0.000 . 5.000 3.551 3.527 3.572 . 0 0 "[ . 1 . 2 . ]" 1
462 1 76 PHE QB 1 77 LYS H 0.000 . 4.000 2.403 2.183 2.601 . 0 0 "[ . 1 . 2 . ]" 1
463 1 76 PHE QD 1 77 LYS H 0.000 . 4.000 3.879 3.591 4.017 0.017 1 0 "[ . 1 . 2 . ]" 1
464 1 76 PHE HA 1 78 LYS H 0.000 . 5.000 3.796 3.690 3.979 . 0 0 "[ . 1 . 2 . ]" 1
465 1 76 PHE H 1 78 LYS H 0.000 . 5.000 3.887 3.792 4.038 . 0 0 "[ . 1 . 2 . ]" 1
466 1 76 PHE HA 1 79 LYS H 0.000 . 4.000 3.326 3.227 3.466 . 0 0 "[ . 1 . 2 . ]" 1
467 1 76 PHE HA 1 80 PHE H 0.000 . 5.000 3.712 3.497 3.981 . 0 0 "[ . 1 . 2 . ]" 1
468 1 76 PHE QD 1 82 CYS H 0.000 . 5.000 3.370 2.819 3.703 . 0 0 "[ . 1 . 2 . ]" 1
469 1 76 PHE QE 1 82 CYS H 0.000 . 5.000 4.358 4.070 4.591 . 0 0 "[ . 1 . 2 . ]" 1
470 1 76 PHE H 1 98 LEU QD 0.000 . 5.000 4.860 4.731 5.040 0.040 4 0 "[ . 1 . 2 . ]" 1
471 1 76 PHE HZ 1 105 ASN H 0.000 . 5.000 4.645 4.394 4.777 . 0 0 "[ . 1 . 2 . ]" 1
472 1 76 PHE QE 1 106 ILE H 0.000 . 4.000 3.943 3.748 4.043 0.043 12 0 "[ . 1 . 2 . ]" 1
473 1 76 PHE HZ 1 106 ILE H 0.000 . 4.000 3.399 3.011 3.632 . 0 0 "[ . 1 . 2 . ]" 1
474 1 76 PHE QE 1 109 PHE H 0.000 . 5.000 3.797 3.321 3.985 . 0 0 "[ . 1 . 2 . ]" 1
475 1 77 LYS H 1 77 LYS QB 0.000 . 2.500 2.472 2.191 2.549 0.049 21 0 "[ . 1 . 2 . ]" 1
476 1 77 LYS H 1 77 LYS QG 0.000 . 3.000 2.329 2.023 2.818 . 0 0 "[ . 1 . 2 . ]" 1
477 1 77 LYS QB 1 78 LYS H 0.000 . 5.000 3.142 2.918 3.330 . 0 0 "[ . 1 . 2 . ]" 1
478 1 77 LYS H 1 78 LYS H 0.000 . 4.000 2.638 2.563 2.750 . 0 0 "[ . 1 . 2 . ]" 1
479 1 77 LYS H 1 79 LYS H 0.000 . 5.000 4.117 4.052 4.170 . 0 0 "[ . 1 . 2 . ]" 1
480 1 77 LYS HA 1 80 PHE H 0.000 . 5.000 3.791 3.446 4.009 . 0 0 "[ . 1 . 2 . ]" 1
481 1 77 LYS QB 1 81 ALA H 0.000 . 5.000 4.338 3.830 4.491 . 0 0 "[ . 1 . 2 . ]" 1
482 1 77 LYS QG 1 81 ALA H 0.000 . 5.000 4.864 4.129 5.042 0.042 28 0 "[ . 1 . 2 . ]" 1
483 1 77 LYS HA 1 82 CYS H 0.000 . 5.000 2.135 1.971 2.217 . 0 0 "[ . 1 . 2 . ]" 1
484 1 77 LYS QB 1 82 CYS H 0.000 . 4.000 4.005 3.943 4.025 0.025 22 0 "[ . 1 . 2 . ]" 1
485 1 77 LYS QG 1 82 CYS H 0.000 . 4.000 3.606 2.757 3.870 . 0 0 "[ . 1 . 2 . ]" 1
486 1 77 LYS H 1 82 CYS H 0.000 . 5.000 4.589 4.206 4.773 . 0 0 "[ . 1 . 2 . ]" 1
487 1 77 LYS QB 1 84 GLY H 0.000 . 5.000 4.540 3.976 5.007 0.007 21 0 "[ . 1 . 2 . ]" 1
488 1 77 LYS QE 1 84 GLY H 0.000 . 4.000 2.923 1.968 3.961 . 0 0 "[ . 1 . 2 . ]" 1
489 1 77 LYS QG 1 84 GLY H 0.000 . 5.000 2.566 2.002 3.041 . 0 0 "[ . 1 . 2 . ]" 1
490 1 77 LYS H 1 98 LEU QD 0.000 . 5.000 4.951 4.639 5.062 0.062 23 0 "[ . 1 . 2 . ]" 1
491 1 78 LYS H 1 78 LYS HA 0.000 . 3.000 2.920 2.874 2.937 . 0 0 "[ . 1 . 2 . ]" 1
492 1 78 LYS HA 1 79 LYS H 0.000 . 4.000 3.431 3.416 3.446 . 0 0 "[ . 1 . 2 . ]" 1
493 1 78 LYS QB 1 79 LYS H 0.000 . 3.000 3.030 3.012 3.056 0.056 27 0 "[ . 1 . 2 . ]" 1
494 1 78 LYS H 1 79 LYS HA 0.000 . 5.000 4.867 4.734 5.060 0.060 19 0 "[ . 1 . 2 . ]" 1
495 1 78 LYS H 1 79 LYS H 0.000 . 3.000 2.177 2.025 2.405 . 0 0 "[ . 1 . 2 . ]" 1
496 1 78 LYS HA 1 80 PHE H 0.000 . 5.000 4.782 4.544 5.004 0.004 10 0 "[ . 1 . 2 . ]" 1
497 1 78 LYS H 1 80 PHE H 0.000 . 5.000 3.875 3.693 4.123 . 0 0 "[ . 1 . 2 . ]" 1
498 1 78 LYS HA 1 81 ALA H 0.000 . 5.000 4.124 3.969 4.445 . 0 0 "[ . 1 . 2 . ]" 1
499 1 78 LYS H 1 81 ALA H 0.000 . 5.000 3.963 3.841 4.149 . 0 0 "[ . 1 . 2 . ]" 1
500 1 79 LYS H 1 79 LYS HA 0.000 . 3.000 2.923 2.901 2.935 . 0 0 "[ . 1 . 2 . ]" 1
501 1 79 LYS H 1 79 LYS QB 0.000 . 3.000 2.327 2.233 2.395 . 0 0 "[ . 1 . 2 . ]" 1
502 1 79 LYS H 1 79 LYS QD 0.000 . 5.000 4.540 4.320 4.669 . 0 0 "[ . 1 . 2 . ]" 1
503 1 79 LYS H 1 79 LYS QG 0.000 . 5.000 3.979 3.850 4.058 . 0 0 "[ . 1 . 2 . ]" 1
504 1 79 LYS HA 1 80 PHE H 0.000 . 4.000 3.540 3.503 3.565 . 0 0 "[ . 1 . 2 . ]" 1
505 1 79 LYS QB 1 80 PHE H 0.000 . 4.000 2.603 2.392 2.832 . 0 0 "[ . 1 . 2 . ]" 1
506 1 79 LYS QG 1 80 PHE H 0.000 . 5.000 4.090 3.416 4.438 . 0 0 "[ . 1 . 2 . ]" 1
507 1 79 LYS H 1 80 PHE HA 0.000 . 5.000 4.925 4.806 5.035 0.035 28 0 "[ . 1 . 2 . ]" 1
508 1 79 LYS H 1 80 PHE QD 0.000 . 5.000 3.676 3.464 3.829 . 0 0 "[ . 1 . 2 . ]" 1
509 1 79 LYS H 1 80 PHE QE 0.000 . 5.000 4.739 4.502 4.859 . 0 0 "[ . 1 . 2 . ]" 1
510 1 79 LYS H 1 80 PHE H 0.000 . 3.000 2.261 2.149 2.436 . 0 0 "[ . 1 . 2 . ]" 1
511 1 79 LYS HA 1 81 ALA H 0.000 . 5.000 4.647 4.546 4.770 . 0 0 "[ . 1 . 2 . ]" 1
512 1 79 LYS QB 1 81 ALA H 0.000 . 5.000 4.349 4.182 4.540 . 0 0 "[ . 1 . 2 . ]" 1
513 1 79 LYS H 1 81 ALA H 0.000 . 5.000 3.209 3.025 3.356 . 0 0 "[ . 1 . 2 . ]" 1
514 1 79 LYS H 1 82 CYS H 0.000 . 5.000 5.003 4.919 5.027 0.027 15 0 "[ . 1 . 2 . ]" 1
515 1 79 LYS QE 1 108 GLN HE21 0.000 . 5.000 4.401 3.812 4.868 . 0 0 "[ . 1 . 2 . ]" 1
516 1 79 LYS QE 1 108 GLN HE22 0.000 . 5.000 4.961 4.702 5.017 0.017 26 0 "[ . 1 . 2 . ]" 1
517 1 80 PHE H 1 80 PHE QD 0.000 . 3.000 2.365 2.093 2.634 . 0 0 "[ . 1 . 2 . ]" 1
518 1 80 PHE H 1 80 PHE QE 0.000 . 5.000 4.192 3.961 4.445 . 0 0 "[ . 1 . 2 . ]" 1
519 1 80 PHE HA 1 81 ALA H 0.000 . 4.000 3.414 3.374 3.447 . 0 0 "[ . 1 . 2 . ]" 1
520 1 80 PHE QB 1 81 ALA H 0.000 . 5.000 3.157 3.019 3.310 . 0 0 "[ . 1 . 2 . ]" 1
521 1 80 PHE QD 1 81 ALA H 0.000 . 5.000 3.808 3.453 4.066 . 0 0 "[ . 1 . 2 . ]" 1
522 1 80 PHE H 1 81 ALA HA 0.000 . 5.000 4.262 4.203 4.406 . 0 0 "[ . 1 . 2 . ]" 1
523 1 80 PHE HA 1 82 CYS H 0.000 . 5.000 4.806 4.582 5.013 0.013 7 0 "[ . 1 . 2 . ]" 1
524 1 80 PHE QB 1 82 CYS H 0.000 . 5.000 2.901 2.709 3.211 . 0 0 "[ . 1 . 2 . ]" 1
525 1 80 PHE H 1 82 CYS H 0.000 . 5.000 3.647 3.463 3.846 . 0 0 "[ . 1 . 2 . ]" 1
526 1 80 PHE QB 1 105 ASN HD21 0.000 . 5.000 4.663 2.649 5.000 . 0 0 "[ . 1 . 2 . ]" 1
527 1 80 PHE QD 1 105 ASN HD21 0.000 . 5.000 4.591 2.461 5.005 0.005 28 0 "[ . 1 . 2 . ]" 1
528 1 80 PHE QD 1 105 ASN HD22 0.000 . 5.000 4.151 3.495 4.529 . 0 0 "[ . 1 . 2 . ]" 1
529 1 80 PHE QE 1 109 PHE H 0.000 . 5.000 4.117 3.743 4.424 . 0 0 "[ . 1 . 2 . ]" 1
530 1 81 ALA H 1 81 ALA HA 0.000 . 2.500 2.284 2.275 2.292 . 0 0 "[ . 1 . 2 . ]" 1
531 1 81 ALA H 1 81 ALA MB 0.000 . 3.000 2.936 2.867 2.973 . 0 0 "[ . 1 . 2 . ]" 1
532 1 81 ALA HA 1 82 CYS H 0.000 . 5.000 2.856 2.714 2.992 . 0 0 "[ . 1 . 2 . ]" 1
533 1 81 ALA MB 1 82 CYS H 0.000 . 4.000 3.651 3.582 3.703 . 0 0 "[ . 1 . 2 . ]" 1
534 1 81 ALA H 1 82 CYS H 0.000 . 4.000 2.522 2.410 2.709 . 0 0 "[ . 1 . 2 . ]" 1
535 1 82 CYS H 1 82 CYS HA 0.000 . 3.000 2.938 2.907 2.948 . 0 0 "[ . 1 . 2 . ]" 1
536 1 82 CYS QB 1 83 ASN H 0.000 . 4.000 2.398 1.891 3.337 . 0 0 "[ . 1 . 2 . ]" 1
537 1 82 CYS H 1 83 ASN H 0.000 . 5.000 4.460 4.322 4.539 . 0 0 "[ . 1 . 2 . ]" 1
538 1 82 CYS QB 1 102 GLN HE21 0.000 . 5.000 4.557 4.108 5.008 0.008 11 0 "[ . 1 . 2 . ]" 1
539 1 82 CYS QB 1 102 GLN HE22 0.000 . 5.000 4.577 4.192 4.903 . 0 0 "[ . 1 . 2 . ]" 1
540 1 83 ASN HA 1 83 ASN HD21 0.000 . 4.000 2.799 1.951 4.010 0.010 26 0 "[ . 1 . 2 . ]" 1
541 1 83 ASN HA 1 83 ASN HD22 0.000 . 5.000 3.851 3.194 4.724 . 0 0 "[ . 1 . 2 . ]" 1
542 1 83 ASN H 1 83 ASN HD21 0.000 . 5.000 3.778 3.150 4.576 . 0 0 "[ . 1 . 2 . ]" 1
543 1 83 ASN H 1 83 ASN HD22 0.000 . 5.000 5.015 4.717 5.107 0.107 3 0 "[ . 1 . 2 . ]" 1
544 1 83 ASN HA 1 84 GLY H 0.000 . 5.000 2.157 2.133 2.224 . 0 0 "[ . 1 . 2 . ]" 1
545 1 83 ASN QB 1 84 GLY H 0.000 . 4.000 3.674 2.979 3.899 . 0 0 "[ . 1 . 2 . ]" 1
546 1 83 ASN HD21 1 84 GLY H 0.000 . 5.000 3.916 2.877 4.505 . 0 0 "[ . 1 . 2 . ]" 1
547 1 83 ASN HD22 1 84 GLY H 0.000 . 5.000 4.845 4.398 5.050 0.050 29 0 "[ . 1 . 2 . ]" 1
548 1 83 ASN H 1 84 GLY H . 3.500 5.000 4.320 4.148 4.580 . 0 0 "[ . 1 . 2 . ]" 1
549 1 83 ASN H 1 98 LEU QD 0.000 . 5.000 4.998 4.851 5.061 0.061 28 0 "[ . 1 . 2 . ]" 1
550 1 83 ASN QB 1 99 GLN H 0.000 . 5.000 3.766 3.466 4.373 . 0 0 "[ . 1 . 2 . ]" 1
551 1 83 ASN HD21 1 99 GLN QB 0.000 . 5.000 3.639 1.930 5.014 0.014 22 0 "[ . 1 . 2 . ]" 1
552 1 83 ASN HD21 1 99 GLN QG 0.000 . 5.000 3.769 1.912 5.011 0.011 17 0 "[ . 1 . 2 . ]" 1
553 1 83 ASN H 1 99 GLN QB 0.000 . 5.000 2.320 1.846 3.034 . 0 0 "[ . 1 . 2 . ]" 1
554 1 83 ASN H 1 99 GLN QG 0.000 . 5.000 3.896 3.349 4.851 . 0 0 "[ . 1 . 2 . ]" 1
555 1 83 ASN H 1 99 GLN H 0.000 . 5.000 3.349 2.719 3.936 . 0 0 "[ . 1 . 2 . ]" 1
556 1 84 GLY QA 1 85 THR H 0.000 . 3.000 2.130 2.106 2.205 . 0 0 "[ . 1 . 2 . ]" 1
557 1 84 GLY H 1 85 THR H . 3.500 5.000 4.408 4.219 4.527 . 0 0 "[ . 1 . 2 . ]" 1
558 1 84 GLY QA 1 97 GLN H 0.000 . 5.000 4.540 4.059 5.016 0.016 4 0 "[ . 1 . 2 . ]" 1
559 1 84 GLY H 1 98 LEU HA 0.000 . 5.000 4.635 4.433 4.854 . 0 0 "[ . 1 . 2 . ]" 1
560 1 84 GLY H 1 98 LEU QD 0.000 . 5.000 4.130 3.751 4.612 . 0 0 "[ . 1 . 2 . ]" 1
561 1 84 GLY QA 1 99 GLN H 0.000 . 4.000 3.392 3.003 3.827 . 0 0 "[ . 1 . 2 . ]" 1
562 1 85 THR H 1 85 THR HB 0.000 . 4.000 3.826 3.668 3.977 . 0 0 "[ . 1 . 2 . ]" 1
563 1 85 THR H 1 85 THR MG 0.000 . 3.000 2.830 2.262 3.045 0.045 17 0 "[ . 1 . 2 . ]" 1
564 1 85 THR HB 1 86 VAL H 0.000 . 4.000 2.741 2.209 3.548 . 0 0 "[ . 1 . 2 . ]" 1
565 1 85 THR MG 1 86 VAL H 0.000 . 4.000 3.886 3.654 4.066 0.066 17 0 "[ . 1 . 2 . ]" 1
566 1 85 THR H 1 86 VAL H . 3.500 5.000 4.409 4.091 4.554 . 0 0 "[ . 1 . 2 . ]" 1
567 1 85 THR H 1 96 ILE HA 0.000 . 5.000 4.934 4.696 5.054 0.054 17 0 "[ . 1 . 2 . ]" 1
568 1 85 THR H 1 97 GLN HA 0.000 . 5.000 4.551 4.302 4.891 . 0 0 "[ . 1 . 2 . ]" 1
569 1 85 THR H 1 97 GLN QB 0.000 . 4.000 3.391 3.035 3.989 . 0 0 "[ . 1 . 2 . ]" 1
570 1 85 THR H 1 97 GLN H 0.000 . 5.000 3.093 2.699 3.537 . 0 0 "[ . 1 . 2 . ]" 1
571 1 85 THR H 1 98 LEU HA 0.000 . 4.000 3.127 2.883 3.217 . 0 0 "[ . 1 . 2 . ]" 1
572 1 85 THR H 1 98 LEU QB 0.000 . 5.000 4.999 4.805 5.070 0.070 8 0 "[ . 1 . 2 . ]" 1
573 1 85 THR H 1 98 LEU QD 0.000 . 4.000 3.607 2.775 4.014 0.014 2 0 "[ . 1 . 2 . ]" 1
574 1 85 THR H 1 98 LEU HG 0.000 . 5.000 4.607 3.855 5.041 0.041 28 0 "[ . 1 . 2 . ]" 1
575 1 85 THR H 1 98 LEU H 0.000 . 5.000 4.458 4.272 4.672 . 0 0 "[ . 1 . 2 . ]" 1
576 1 85 THR H 1 99 GLN H 0.000 . 5.000 5.036 5.009 5.058 0.058 25 0 "[ . 1 . 2 . ]" 1
577 1 86 VAL H 1 86 VAL HB 0.000 . 3.000 2.935 2.637 3.082 0.082 25 0 "[ . 1 . 2 . ]" 1
578 1 86 VAL HA 1 87 ILE H 0.000 . 2.500 2.277 2.150 2.509 0.009 2 0 "[ . 1 . 2 . ]" 1
579 1 86 VAL HB 1 87 ILE H 0.000 . 5.000 4.445 4.015 4.660 . 0 0 "[ . 1 . 2 . ]" 1
580 1 86 VAL H 1 87 ILE H . 3.500 5.000 4.028 3.488 4.603 0.012 3 0 "[ . 1 . 2 . ]" 1
581 1 86 VAL H 1 96 ILE HA 0.000 . 5.000 4.776 4.492 4.977 . 0 0 "[ . 1 . 2 . ]" 1
582 1 86 VAL H 1 97 GLN H 0.000 . 5.000 4.442 4.111 4.658 . 0 0 "[ . 1 . 2 . ]" 1
583 1 87 ILE H 1 87 ILE HB 0.000 . 4.000 3.752 3.612 3.981 . 0 0 "[ . 1 . 2 . ]" 1
584 1 87 ILE H 1 87 ILE QG 0.000 . 5.000 2.304 1.993 3.428 . 0 0 "[ . 1 . 2 . ]" 1
585 1 87 ILE MD 1 88 GLU H 0.000 . 5.000 3.385 3.036 3.733 . 0 0 "[ . 1 . 2 . ]" 1
586 1 87 ILE HB 1 88 GLU H 0.000 . 5.000 2.635 2.366 2.931 . 0 0 "[ . 1 . 2 . ]" 1
587 1 87 ILE QG 1 88 GLU H 0.000 . 4.000 3.845 3.110 4.013 0.013 5 0 "[ . 1 . 2 . ]" 1
588 1 87 ILE H 1 88 GLU H . 3.500 5.000 4.517 4.309 4.629 . 0 0 "[ . 1 . 2 . ]" 1
589 1 87 ILE QG 1 89 HIS H 0.000 . 5.000 3.169 2.457 3.546 . 0 0 "[ . 1 . 2 . ]" 1
590 1 87 ILE QG 1 95 VAL H 0.000 . 5.000 3.420 2.983 4.179 . 0 0 "[ . 1 . 2 . ]" 1
591 1 87 ILE H 1 95 VAL H 0.000 . 5.000 4.159 3.427 5.006 0.006 3 0 "[ . 1 . 2 . ]" 1
592 1 87 ILE H 1 96 ILE HA 0.000 . 4.000 2.904 2.524 3.438 . 0 0 "[ . 1 . 2 . ]" 1
593 1 87 ILE H 1 97 GLN H 0.000 . 5.000 3.340 2.689 4.311 . 0 0 "[ . 1 . 2 . ]" 1
594 1 88 GLU H 1 88 GLU HA 0.000 . 3.000 2.934 2.899 2.941 . 0 0 "[ . 1 . 2 . ]" 1
595 1 88 GLU H 1 88 GLU QB 0.000 . 2.500 2.398 2.250 2.466 . 0 0 "[ . 1 . 2 . ]" 1
596 1 88 GLU H 1 88 GLU QG 0.000 . 4.000 4.034 3.948 4.068 0.068 12 0 "[ . 1 . 2 . ]" 1
597 1 88 GLU HA 1 89 HIS H 0.000 . 2.500 2.385 2.318 2.432 . 0 0 "[ . 1 . 2 . ]" 1
598 1 88 GLU QB 1 89 HIS H 0.000 . 4.000 4.002 3.981 4.022 0.022 28 0 "[ . 1 . 2 . ]" 1
599 1 88 GLU QG 1 89 HIS H 0.000 . 4.000 3.944 3.843 4.012 0.012 15 0 "[ . 1 . 2 . ]" 1
600 1 88 GLU H 1 89 HIS H . 3.500 5.000 3.648 3.530 3.894 . 0 0 "[ . 1 . 2 . ]" 1
601 1 88 GLU HA 1 94 GLU H 0.000 . 5.000 2.798 1.968 4.610 . 0 0 "[ . 1 . 2 . ]" 1
602 1 88 GLU HA 1 95 VAL H 0.000 . 4.000 2.703 2.543 2.989 . 0 0 "[ . 1 . 2 . ]" 1
603 1 88 GLU H 1 95 VAL H 0.000 . 5.000 4.745 4.500 5.025 0.025 26 0 "[ . 1 . 2 . ]" 1
604 1 89 HIS H 1 89 HIS QB 0.000 . 3.000 2.096 2.084 2.117 . 0 0 "[ . 1 . 2 . ]" 1
605 1 89 HIS H 1 89 HIS HD2 0.000 . 5.000 4.346 4.291 4.439 . 0 0 "[ . 1 . 2 . ]" 1
606 1 89 HIS H 1 90 PRO QD 0.000 . 5.000 4.329 4.277 4.363 . 0 0 "[ . 1 . 2 . ]" 1
607 1 89 HIS QB 1 91 GLU H 0.000 . 5.000 3.195 3.095 3.367 . 0 0 "[ . 1 . 2 . ]" 1
608 1 89 HIS HE1 1 91 GLU H 0.000 . 4.000 3.654 3.430 3.817 . 0 0 "[ . 1 . 2 . ]" 1
609 1 89 HIS QB 1 92 TYR H 0.000 . 5.000 2.409 2.301 2.492 . 0 0 "[ . 1 . 2 . ]" 1
610 1 89 HIS HE1 1 92 TYR H 0.000 . 5.000 4.878 4.488 5.013 0.013 11 0 "[ . 1 . 2 . ]" 1
611 1 89 HIS H 1 92 TYR H 0.000 . 5.000 5.017 4.988 5.046 0.046 19 0 "[ . 1 . 2 . ]" 1
612 1 89 HIS QB 1 93 GLY H 0.000 . 4.000 2.433 2.127 2.647 . 0 0 "[ . 1 . 2 . ]" 1
613 1 89 HIS H 1 93 GLY H 0.000 . 4.000 3.847 3.688 4.008 0.008 14 0 "[ . 1 . 2 . ]" 1
614 1 89 HIS H 1 94 GLU HA 0.000 . 4.000 3.732 3.338 4.014 0.014 2 0 "[ . 1 . 2 . ]" 1
615 1 89 HIS QB 1 95 VAL H 0.000 . 5.000 3.870 3.578 4.058 . 0 0 "[ . 1 . 2 . ]" 1
616 1 89 HIS H 1 95 VAL H 0.000 . 5.000 2.864 2.630 3.139 . 0 0 "[ . 1 . 2 . ]" 1
617 1 90 PRO HA 1 91 GLU H 0.000 . 4.000 3.464 3.423 3.510 . 0 0 "[ . 1 . 2 . ]" 1
618 1 90 PRO QB 1 91 GLU H 0.000 . 4.000 3.443 3.311 3.536 . 0 0 "[ . 1 . 2 . ]" 1
619 1 90 PRO QD 1 91 GLU H 0.000 . 5.000 2.389 2.189 2.582 . 0 0 "[ . 1 . 2 . ]" 1
620 1 90 PRO QG 1 91 GLU H 0.000 . 4.000 2.642 2.405 2.840 . 0 0 "[ . 1 . 2 . ]" 1
621 1 90 PRO QB 1 92 TYR H 0.000 . 5.000 4.941 4.861 5.007 0.007 21 0 "[ . 1 . 2 . ]" 1
622 1 91 GLU H 1 91 GLU QB 0.000 . 3.000 2.169 2.065 2.589 . 0 0 "[ . 1 . 2 . ]" 1
623 1 91 GLU H 1 91 GLU QG 0.000 . 4.000 3.504 2.167 3.992 . 0 0 "[ . 1 . 2 . ]" 1
624 1 91 GLU HA 1 92 TYR H 0.000 . 4.000 3.455 3.434 3.477 . 0 0 "[ . 1 . 2 . ]" 1
625 1 91 GLU QB 1 92 TYR H 0.000 . 3.000 3.008 2.916 3.032 0.032 6 0 "[ . 1 . 2 . ]" 1
626 1 91 GLU QG 1 92 TYR H 0.000 . 5.000 4.572 3.950 4.736 . 0 0 "[ . 1 . 2 . ]" 1
627 1 91 GLU H 1 92 TYR QB 0.000 . 5.000 4.789 4.714 4.879 . 0 0 "[ . 1 . 2 . ]" 1
628 1 91 GLU H 1 92 TYR QD 0.000 . 5.000 4.528 4.415 4.579 . 0 0 "[ . 1 . 2 . ]" 1
629 1 91 GLU H 1 92 TYR QE 0.000 . 5.000 5.010 4.943 5.040 0.040 7 0 "[ . 1 . 2 . ]" 1
630 1 91 GLU H 1 92 TYR H 0.000 . 2.500 2.353 2.297 2.403 . 0 0 "[ . 1 . 2 . ]" 1
631 1 91 GLU QB 1 93 GLY H 0.000 . 5.000 4.859 4.782 4.964 . 0 0 "[ . 1 . 2 . ]" 1
632 1 91 GLU H 1 93 GLY H 0.000 . 4.000 4.011 3.999 4.018 0.018 11 0 "[ . 1 . 2 . ]" 1
633 1 92 TYR H 1 92 TYR QD 0.000 . 4.000 3.272 3.062 3.369 . 0 0 "[ . 1 . 2 . ]" 1
634 1 92 TYR H 1 92 TYR QE 0.000 . 5.000 4.559 4.476 4.640 . 0 0 "[ . 1 . 2 . ]" 1
635 1 92 TYR QB 1 93 GLY H 0.000 . 5.000 2.340 2.257 2.441 . 0 0 "[ . 1 . 2 . ]" 1
636 1 92 TYR QD 1 93 GLY H 0.000 . 5.000 3.829 3.607 4.022 . 0 0 "[ . 1 . 2 . ]" 1
637 1 92 TYR H 1 93 GLY QA 0.000 . 5.000 3.870 3.790 3.932 . 0 0 "[ . 1 . 2 . ]" 1
638 1 92 TYR H 1 95 VAL QG 0.000 . 4.000 3.879 3.738 4.024 0.024 13 0 "[ . 1 . 2 . ]" 1
639 1 93 GLY QA 1 94 GLU H 0.000 . 3.000 2.264 2.116 2.897 . 0 0 "[ . 1 . 2 . ]" 1
640 1 93 GLY H 1 94 GLU H 0.000 . 4.000 3.264 2.373 4.025 0.025 3 0 "[ . 1 . 2 . ]" 1
641 1 93 GLY H 1 95 VAL QG 0.000 . 4.000 3.070 2.816 3.561 . 0 0 "[ . 1 . 2 . ]" 1
642 1 94 GLU H 1 94 GLU HA 0.000 . 3.000 2.436 2.269 2.946 . 0 0 "[ . 1 . 2 . ]" 1
643 1 94 GLU H 1 94 GLU QG 0.000 . 5.000 4.053 3.486 4.285 . 0 0 "[ . 1 . 2 . ]" 1
644 1 94 GLU HA 1 95 VAL H 0.000 . 5.000 2.249 2.156 2.366 . 0 0 "[ . 1 . 2 . ]" 1
645 1 94 GLU QB 1 95 VAL H 0.000 . 5.000 3.944 3.664 4.031 . 0 0 "[ . 1 . 2 . ]" 1
646 1 94 GLU QG 1 95 VAL H 0.000 . 4.000 3.690 3.059 3.999 . 0 0 "[ . 1 . 2 . ]" 1
647 1 94 GLU H 1 95 VAL QG 0.000 . 5.000 3.387 2.580 3.601 . 0 0 "[ . 1 . 2 . ]" 1
648 1 94 GLU H 1 95 VAL H 0.000 . 4.000 3.463 3.088 4.009 0.009 3 0 "[ . 1 . 2 . ]" 1
649 1 95 VAL H 1 95 VAL QG 0.000 . 2.500 2.209 1.984 2.401 . 0 0 "[ . 1 . 2 . ]" 1
650 1 95 VAL HA 1 96 ILE H 0.000 . 2.500 2.232 2.161 2.325 . 0 0 "[ . 1 . 2 . ]" 1
651 1 95 VAL HB 1 96 ILE H 0.000 . 5.000 2.900 2.580 3.239 . 0 0 "[ . 1 . 2 . ]" 1
652 1 95 VAL QG 1 96 ILE H 0.000 . 5.000 3.389 3.235 3.522 . 0 0 "[ . 1 . 2 . ]" 1
653 1 95 VAL H 1 96 ILE H . 3.500 5.000 4.357 4.217 4.432 . 0 0 "[ . 1 . 2 . ]" 1
654 1 96 ILE H 1 96 ILE HB 0.000 . 3.000 2.238 2.191 2.332 . 0 0 "[ . 1 . 2 . ]" 1
655 1 96 ILE H 1 96 ILE MD 0.000 . 5.000 4.174 3.256 4.338 . 0 0 "[ . 1 . 2 . ]" 1
656 1 96 ILE H 1 96 ILE QG 0.000 . 4.000 2.983 2.538 4.020 0.020 17 0 "[ . 1 . 2 . ]" 1
657 1 96 ILE H 1 96 ILE MG 0.000 . 4.000 3.581 3.147 3.717 . 0 0 "[ . 1 . 2 . ]" 1
658 1 96 ILE HA 1 97 GLN H 0.000 . 2.500 2.248 2.110 2.393 . 0 0 "[ . 1 . 2 . ]" 1
659 1 96 ILE HB 1 97 GLN H 0.000 . 5.000 4.193 3.921 4.513 . 0 0 "[ . 1 . 2 . ]" 1
660 1 96 ILE MD 1 97 GLN H 0.000 . 3.000 2.979 2.569 3.165 0.165 17 0 "[ . 1 . 2 . ]" 1
661 1 96 ILE MG 1 97 GLN H 0.000 . 3.000 2.326 1.917 3.017 0.017 17 0 "[ . 1 . 2 . ]" 1
662 1 96 ILE H 1 97 GLN H . 3.500 5.000 4.558 4.394 4.635 . 0 0 "[ . 1 . 2 . ]" 1
663 1 97 GLN HA 1 97 GLN HE21 0.000 . 5.000 4.592 4.257 4.859 . 0 0 "[ . 1 . 2 . ]" 1
664 1 97 GLN QB 1 97 GLN HE22 0.000 . 5.000 3.669 3.177 4.139 . 0 0 "[ . 1 . 2 . ]" 1
665 1 97 GLN H 1 97 GLN QB 0.000 . 3.000 2.402 2.190 2.582 . 0 0 "[ . 1 . 2 . ]" 1
666 1 97 GLN H 1 97 GLN QG 0.000 . 5.000 3.896 3.637 4.133 . 0 0 "[ . 1 . 2 . ]" 1
667 1 97 GLN HA 1 98 LEU H 0.000 . 2.500 2.173 2.110 2.314 . 0 0 "[ . 1 . 2 . ]" 1
668 1 97 GLN QB 1 98 LEU H 0.000 . 5.000 3.791 3.631 3.950 . 0 0 "[ . 1 . 2 . ]" 1
669 1 97 GLN QG 1 98 LEU H 0.000 . 5.000 3.547 3.078 3.950 . 0 0 "[ . 1 . 2 . ]" 1
670 1 97 GLN H 1 98 LEU H . 3.500 5.000 4.071 3.577 4.372 . 0 0 "[ . 1 . 2 . ]" 1
671 1 98 LEU H 1 98 LEU QD 0.000 . 5.000 3.045 2.485 3.392 . 0 0 "[ . 1 . 2 . ]" 1
672 1 98 LEU H 1 98 LEU HG 0.000 . 5.000 2.877 2.138 4.531 . 0 0 "[ . 1 . 2 . ]" 1
673 1 98 LEU HA 1 99 GLN H 0.000 . 2.500 2.370 2.326 2.491 . 0 0 "[ . 1 . 2 . ]" 1
674 1 98 LEU QB 1 99 GLN H 0.000 . 2.500 2.529 2.427 2.566 0.066 18 0 "[ . 1 . 2 . ]" 1
675 1 98 LEU QD 1 99 GLN H 0.000 . 4.000 3.432 3.036 3.673 . 0 0 "[ . 1 . 2 . ]" 1
676 1 98 LEU HG 1 99 GLN H 0.000 . 5.000 4.473 3.089 4.899 . 0 0 "[ . 1 . 2 . ]" 1
677 1 98 LEU H 1 99 GLN H . 3.500 5.000 4.571 4.528 4.622 . 0 0 "[ . 1 . 2 . ]" 1
678 1 98 LEU QD 1 102 GLN HE21 0.000 . 5.000 4.356 4.056 5.036 0.036 26 0 "[ . 1 . 2 . ]" 1
679 1 98 LEU QD 1 102 GLN H 0.000 . 5.000 4.448 4.232 4.675 . 0 0 "[ . 1 . 2 . ]" 1
680 1 98 LEU QD 1 106 ILE H 0.000 . 5.000 3.804 3.601 4.050 . 0 0 "[ . 1 . 2 . ]" 1
681 1 99 GLN HA 1 99 GLN HE21 0.000 . 5.000 3.324 2.079 4.704 . 0 0 "[ . 1 . 2 . ]" 1
682 1 99 GLN H 1 99 GLN HA 0.000 . 3.000 2.925 2.903 2.945 . 0 0 "[ . 1 . 2 . ]" 1
683 1 99 GLN H 1 99 GLN QB 0.000 . 3.000 2.210 2.135 2.376 . 0 0 "[ . 1 . 2 . ]" 1
684 1 99 GLN H 1 99 GLN QG 0.000 . 4.000 3.575 3.209 4.034 0.034 17 0 "[ . 1 . 2 . ]" 1
685 1 99 GLN HA 1 100 GLY H 0.000 . 2.500 2.202 2.142 2.257 . 0 0 "[ . 1 . 2 . ]" 1
686 1 99 GLN QB 1 100 GLY H 0.000 . 4.000 3.217 2.956 3.491 . 0 0 "[ . 1 . 2 . ]" 1
687 1 99 GLN QG 1 100 GLY H 0.000 . 5.000 3.587 2.891 4.151 . 0 0 "[ . 1 . 2 . ]" 1
688 1 99 GLN H 1 100 GLY H . 3.500 5.000 4.536 4.428 4.591 . 0 0 "[ . 1 . 2 . ]" 1
689 1 100 GLY QA 1 101 ASP H 0.000 . 3.000 2.279 2.247 2.296 . 0 0 "[ . 1 . 2 . ]" 1
690 1 100 GLY H 1 101 ASP H 0.000 . 5.000 4.495 4.351 4.593 . 0 0 "[ . 1 . 2 . ]" 1
691 1 100 GLY QA 1 102 GLN HE21 0.000 . 5.000 3.091 2.746 3.314 . 0 0 "[ . 1 . 2 . ]" 1
692 1 100 GLY QA 1 102 GLN HE22 0.000 . 5.000 2.400 2.033 3.469 . 0 0 "[ . 1 . 2 . ]" 1
693 1 101 ASP H 1 101 ASP QB 0.000 . 3.000 2.662 2.550 2.745 . 0 0 "[ . 1 . 2 . ]" 1
694 1 101 ASP HA 1 102 GLN H 0.000 . 3.000 2.278 2.183 2.400 . 0 0 "[ . 1 . 2 . ]" 1
695 1 101 ASP QB 1 102 GLN H 0.000 . 5.000 3.788 3.642 3.916 . 0 0 "[ . 1 . 2 . ]" 1
696 1 101 ASP H 1 102 GLN HE21 0.000 . 5.000 3.706 3.068 3.935 . 0 0 "[ . 1 . 2 . ]" 1
697 1 101 ASP H 1 102 GLN HE22 0.000 . 5.000 3.067 2.391 4.229 . 0 0 "[ . 1 . 2 . ]" 1
698 1 101 ASP HA 1 103 ARG H 0.000 . 4.000 3.148 3.050 3.255 . 0 0 "[ . 1 . 2 . ]" 1
699 1 102 GLN HA 1 102 GLN HE21 0.000 . 5.000 3.114 2.587 3.444 . 0 0 "[ . 1 . 2 . ]" 1
700 1 102 GLN HA 1 102 GLN HE22 0.000 . 5.000 3.553 3.045 3.727 . 0 0 "[ . 1 . 2 . ]" 1
701 1 102 GLN QB 1 102 GLN HE22 0.000 . 5.000 3.695 3.552 4.209 . 0 0 "[ . 1 . 2 . ]" 1
702 1 102 GLN H 1 102 GLN QG 0.000 . 4.000 3.711 2.309 4.009 0.009 4 0 "[ . 1 . 2 . ]" 1
703 1 102 GLN HA 1 103 ARG H 0.000 . 4.000 3.193 3.125 3.285 . 0 0 "[ . 1 . 2 . ]" 1
704 1 102 GLN QB 1 103 ARG H 0.000 . 5.000 3.525 3.409 3.597 . 0 0 "[ . 1 . 2 . ]" 1
705 1 102 GLN QG 1 103 ARG H 0.000 . 5.000 4.959 4.439 5.044 0.044 8 0 "[ . 1 . 2 . ]" 1
706 1 102 GLN H 1 103 ARG H 0.000 . 4.000 2.432 2.130 2.623 . 0 0 "[ . 1 . 2 . ]" 1
707 1 102 GLN HA 1 104 LYS H 0.000 . 5.000 3.293 3.213 3.463 . 0 0 "[ . 1 . 2 . ]" 1
708 1 102 GLN HA 1 105 ASN HD21 0.000 . 5.000 2.603 2.123 4.314 . 0 0 "[ . 1 . 2 . ]" 1
709 1 102 GLN HA 1 105 ASN HD22 0.000 . 5.000 4.207 3.489 4.616 . 0 0 "[ . 1 . 2 . ]" 1
710 1 102 GLN HA 1 105 ASN H 0.000 . 4.000 2.694 2.609 2.794 . 0 0 "[ . 1 . 2 . ]" 1
711 1 102 GLN HE21 1 105 ASN HD21 0.000 . 5.000 4.844 3.579 5.039 0.039 10 0 "[ . 1 . 2 . ]" 1
712 1 102 GLN HE22 1 105 ASN HD21 0.000 . 5.000 4.435 2.973 4.860 . 0 0 "[ . 1 . 2 . ]" 1
713 1 102 GLN H 1 105 ASN H 0.000 . 5.000 5.053 5.019 5.092 0.092 12 0 "[ . 1 . 2 . ]" 1
714 1 102 GLN HA 1 106 ILE H 0.000 . 5.000 3.673 3.296 3.855 . 0 0 "[ . 1 . 2 . ]" 1
715 1 102 GLN QB 1 106 ILE H 0.000 . 5.000 2.624 2.351 2.925 . 0 0 "[ . 1 . 2 . ]" 1
716 1 103 ARG HA 1 104 LYS H 0.000 . 5.000 3.480 3.459 3.509 . 0 0 "[ . 1 . 2 . ]" 1
717 1 103 ARG H 1 104 LYS H 0.000 . 5.000 2.827 2.751 2.900 . 0 0 "[ . 1 . 2 . ]" 1
718 1 103 ARG HA 1 105 ASN H 0.000 . 5.000 4.375 4.298 4.475 . 0 0 "[ . 1 . 2 . ]" 1
719 1 103 ARG HA 1 106 ILE H 0.000 . 5.000 4.003 3.760 4.181 . 0 0 "[ . 1 . 2 . ]" 1
720 1 103 ARG HA 1 107 CYS H 0.000 . 5.000 4.229 3.946 4.489 . 0 0 "[ . 1 . 2 . ]" 1
721 1 103 ARG HE 1 126 PHE H 0.000 . 5.000 4.680 3.890 5.007 0.007 4 0 "[ . 1 . 2 . ]" 1
722 1 104 LYS H 1 104 LYS QD 0.000 . 5.000 4.128 2.710 4.784 . 0 0 "[ . 1 . 2 . ]" 1
723 1 104 LYS H 1 104 LYS QE 0.000 . 5.000 4.452 3.486 5.003 0.003 28 0 "[ . 1 . 2 . ]" 1
724 1 104 LYS H 1 104 LYS QG 0.000 . 5.000 3.722 2.578 4.157 . 0 0 "[ . 1 . 2 . ]" 1
725 1 104 LYS HA 1 105 ASN H 0.000 . 4.000 3.458 3.441 3.483 . 0 0 "[ . 1 . 2 . ]" 1
726 1 104 LYS QB 1 105 ASN H 0.000 . 3.000 2.976 2.864 3.016 0.016 16 0 "[ . 1 . 2 . ]" 1
727 1 104 LYS QD 1 105 ASN H 0.000 . 5.000 4.687 3.872 5.019 0.019 23 0 "[ . 1 . 2 . ]" 1
728 1 104 LYS QG 1 105 ASN H 0.000 . 5.000 4.397 4.076 4.757 . 0 0 "[ . 1 . 2 . ]" 1
729 1 104 LYS H 1 105 ASN H 0.000 . 3.000 2.155 2.081 2.227 . 0 0 "[ . 1 . 2 . ]" 1
730 1 104 LYS HA 1 106 ILE H 0.000 . 5.000 4.548 4.355 4.730 . 0 0 "[ . 1 . 2 . ]" 1
731 1 104 LYS QB 1 106 ILE H 0.000 . 5.000 4.931 4.775 5.012 0.012 2 0 "[ . 1 . 2 . ]" 1
732 1 104 LYS H 1 106 ILE H 0.000 . 5.000 3.843 3.759 4.078 . 0 0 "[ . 1 . 2 . ]" 1
733 1 105 ASN HA 1 105 ASN HD21 0.000 . 4.000 3.986 3.888 4.078 0.078 10 0 "[ . 1 . 2 . ]" 1
734 1 105 ASN HA 1 105 ASN HD22 0.000 . 5.000 4.294 4.202 4.514 . 0 0 "[ . 1 . 2 . ]" 1
735 1 105 ASN H 1 105 ASN HA 0.000 . 3.000 2.904 2.847 2.924 . 0 0 "[ . 1 . 2 . ]" 1
736 1 105 ASN H 1 105 ASN QB 0.000 . 3.000 2.235 2.142 2.480 . 0 0 "[ . 1 . 2 . ]" 1
737 1 105 ASN QB 1 106 ILE H 0.000 . 5.000 2.720 2.404 2.819 . 0 0 "[ . 1 . 2 . ]" 1
738 1 105 ASN H 1 106 ILE H 0.000 . 4.000 2.361 2.264 2.614 . 0 0 "[ . 1 . 2 . ]" 1
739 1 105 ASN H 1 107 CYS H 0.000 . 5.000 4.161 4.071 4.248 . 0 0 "[ . 1 . 2 . ]" 1
740 1 105 ASN HA 1 108 GLN H 0.000 . 5.000 3.495 3.394 3.634 . 0 0 "[ . 1 . 2 . ]" 1
741 1 105 ASN QB 1 108 GLN H 0.000 . 5.000 4.768 4.661 4.863 . 0 0 "[ . 1 . 2 . ]" 1
742 1 105 ASN H 1 108 GLN H 0.000 . 5.000 4.636 4.420 4.830 . 0 0 "[ . 1 . 2 . ]" 1
743 1 106 ILE H 1 106 ILE QG 0.000 . 3.000 2.105 2.015 2.265 . 0 0 "[ . 1 . 2 . ]" 1
744 1 106 ILE H 1 106 ILE MD 0.000 . 5.000 3.979 3.902 4.088 . 0 0 "[ . 1 . 2 . ]" 1
745 1 106 ILE H 1 106 ILE QG 0.000 . 5.000 4.092 4.070 4.108 . 0 0 "[ . 1 . 2 . ]" 1
746 1 106 ILE QG 1 107 CYS H 0.000 . 3.000 1.845 1.813 1.897 . 0 0 "[ . 1 . 2 . ]" 1
747 1 106 ILE HA 1 107 CYS H 0.000 . 4.000 3.576 3.561 3.584 . 0 0 "[ . 1 . 2 . ]" 1
748 1 106 ILE HB 1 107 CYS H 0.000 . 4.000 3.795 3.743 3.842 . 0 0 "[ . 1 . 2 . ]" 1
749 1 106 ILE MD 1 107 CYS H 0.000 . 5.000 4.420 4.296 4.497 . 0 0 "[ . 1 . 2 . ]" 1
750 1 106 ILE QG 1 107 CYS H 0.000 . 5.000 3.597 3.486 3.760 . 0 0 "[ . 1 . 2 . ]" 1
751 1 106 ILE H 1 107 CYS H 0.000 . 4.000 2.763 2.695 2.822 . 0 0 "[ . 1 . 2 . ]" 1
752 1 106 ILE QG 1 108 GLN H 0.000 . 4.000 3.802 3.715 3.868 . 0 0 "[ . 1 . 2 . ]" 1
753 1 106 ILE HA 1 108 GLN H 0.000 . 5.000 4.042 3.918 4.173 . 0 0 "[ . 1 . 2 . ]" 1
754 1 106 ILE H 1 108 GLN H 0.000 . 5.000 3.844 3.709 3.933 . 0 0 "[ . 1 . 2 . ]" 1
755 1 106 ILE QG 1 109 PHE H 0.000 . 5.000 4.168 4.053 4.394 . 0 0 "[ . 1 . 2 . ]" 1
756 1 106 ILE HA 1 109 PHE H 0.000 . 4.000 3.027 2.940 3.148 . 0 0 "[ . 1 . 2 . ]" 1
757 1 106 ILE MD 1 109 PHE H 0.000 . 5.000 4.006 3.727 4.101 . 0 0 "[ . 1 . 2 . ]" 1
758 1 106 ILE H 1 109 PHE H 0.000 . 5.000 4.435 4.282 4.643 . 0 0 "[ . 1 . 2 . ]" 1
759 1 106 ILE QG 1 110 LEU H 0.000 . 5.000 3.720 3.484 3.873 . 0 0 "[ . 1 . 2 . ]" 1
760 1 106 ILE HA 1 110 LEU H 0.000 . 5.000 3.817 3.607 4.154 . 0 0 "[ . 1 . 2 . ]" 1
761 1 107 CYS H 1 107 CYS HA 0.000 . 3.000 2.798 2.773 2.817 . 0 0 "[ . 1 . 2 . ]" 1
762 1 107 CYS H 1 107 CYS QB 0.000 . 3.000 2.452 2.067 2.651 . 0 0 "[ . 1 . 2 . ]" 1
763 1 107 CYS QB 1 108 GLN H 0.000 . 4.000 3.156 2.671 3.479 . 0 0 "[ . 1 . 2 . ]" 1
764 1 107 CYS H 1 108 GLN QB 0.000 . 5.000 4.291 4.198 4.433 . 0 0 "[ . 1 . 2 . ]" 1
765 1 107 CYS H 1 108 GLN H 0.000 . 4.000 2.593 2.521 2.661 . 0 0 "[ . 1 . 2 . ]" 1
766 1 107 CYS H 1 109 PHE H 0.000 . 5.000 4.026 3.838 4.352 . 0 0 "[ . 1 . 2 . ]" 1
767 1 107 CYS HA 1 110 LEU H 0.000 . 4.000 3.532 3.400 3.768 . 0 0 "[ . 1 . 2 . ]" 1
768 1 108 GLN HA 1 108 GLN HE21 0.000 . 5.000 2.572 2.007 3.231 . 0 0 "[ . 1 . 2 . ]" 1
769 1 108 GLN H 1 108 GLN HA 0.000 . 3.000 2.852 2.835 2.862 . 0 0 "[ . 1 . 2 . ]" 1
770 1 108 GLN QB 1 108 GLN HE22 0.000 . 4.000 3.615 3.272 4.003 0.003 25 0 "[ . 1 . 2 . ]" 1
771 1 108 GLN H 1 108 GLN QB 0.000 . 2.500 2.120 2.078 2.166 . 0 0 "[ . 1 . 2 . ]" 1
772 1 108 GLN H 1 108 GLN QG 0.000 . 4.000 3.448 2.893 3.823 . 0 0 "[ . 1 . 2 . ]" 1
773 1 108 GLN HA 1 109 PHE H 0.000 . 4.000 3.508 3.484 3.540 . 0 0 "[ . 1 . 2 . ]" 1
774 1 108 GLN QB 1 109 PHE H 0.000 . 3.000 2.725 2.387 2.932 . 0 0 "[ . 1 . 2 . ]" 1
775 1 108 GLN HE21 1 109 PHE HA 0.000 . 5.000 4.759 4.376 5.018 0.018 14 0 "[ . 1 . 2 . ]" 1
776 1 108 GLN QG 1 109 PHE H 0.000 . 5.000 3.652 3.169 4.284 . 0 0 "[ . 1 . 2 . ]" 1
777 1 108 GLN H 1 109 PHE QB 0.000 . 5.000 4.221 4.165 4.294 . 0 0 "[ . 1 . 2 . ]" 1
778 1 108 GLN H 1 109 PHE H 0.000 . 4.000 2.480 2.403 2.637 . 0 0 "[ . 1 . 2 . ]" 1
779 1 108 GLN H 1 110 LEU H 0.000 . 5.000 4.120 3.962 4.328 . 0 0 "[ . 1 . 2 . ]" 1
780 1 108 GLN HA 1 111 VAL H 0.000 . 5.000 3.626 3.561 3.706 . 0 0 "[ . 1 . 2 . ]" 1
781 1 108 GLN HE21 1 111 VAL QG 0.000 . 5.000 4.075 3.797 5.011 0.011 26 0 "[ . 1 . 2 . ]" 1
782 1 108 GLN HE22 1 111 VAL QG 0.000 . 5.000 4.549 4.243 4.865 . 0 0 "[ . 1 . 2 . ]" 1
783 1 108 GLN HE21 1 112 GLU QB 0.000 . 5.000 3.947 2.070 4.470 . 0 0 "[ . 1 . 2 . ]" 1
784 1 108 GLN HE21 1 112 GLU H 0.000 . 5.000 4.035 3.533 5.005 0.005 26 0 "[ . 1 . 2 . ]" 1
785 1 108 GLN HE22 1 112 GLU QB 0.000 . 5.000 4.926 3.511 5.021 0.021 27 0 "[ . 1 . 2 . ]" 1
786 1 109 PHE H 1 109 PHE HA 0.000 . 3.000 2.828 2.753 2.866 . 0 0 "[ . 1 . 2 . ]" 1
787 1 109 PHE H 1 109 PHE QB 0.000 . 3.000 2.238 2.177 2.273 . 0 0 "[ . 1 . 2 . ]" 1
788 1 109 PHE HA 1 110 LEU H 0.000 . 5.000 3.547 3.534 3.567 . 0 0 "[ . 1 . 2 . ]" 1
789 1 109 PHE QB 1 110 LEU H 0.000 . 4.000 2.394 2.194 2.537 . 0 0 "[ . 1 . 2 . ]" 1
790 1 109 PHE QD 1 110 LEU H 0.000 . 4.000 3.541 3.301 3.853 . 0 0 "[ . 1 . 2 . ]" 1
791 1 109 PHE H 1 110 LEU QD 0.000 . 5.000 3.812 3.708 4.020 . 0 0 "[ . 1 . 2 . ]" 1
792 1 109 PHE HA 1 111 VAL H 0.000 . 4.000 4.010 3.969 4.058 0.058 27 0 "[ . 1 . 2 . ]" 1
793 1 109 PHE HA 1 112 GLU H 0.000 . 4.000 3.093 3.042 3.138 . 0 0 "[ . 1 . 2 . ]" 1
794 1 109 PHE HA 1 113 ILE H 0.000 . 5.000 3.593 3.206 3.872 . 0 0 "[ . 1 . 2 . ]" 1
795 1 109 PHE QD 1 113 ILE H 0.000 . 5.000 4.490 4.285 4.730 . 0 0 "[ . 1 . 2 . ]" 1
796 1 109 PHE H 1 113 ILE MD 0.000 . 5.000 5.022 4.881 5.088 0.088 21 0 "[ . 1 . 2 . ]" 1
797 1 110 LEU H 1 110 LEU QD 0.000 . 4.000 2.117 1.930 2.271 . 0 0 "[ . 1 . 2 . ]" 1
798 1 110 LEU H 1 110 LEU HG 0.000 . 5.000 4.042 3.820 4.136 . 0 0 "[ . 1 . 2 . ]" 1
799 1 110 LEU HA 1 111 VAL H 0.000 . 4.000 3.482 3.467 3.502 . 0 0 "[ . 1 . 2 . ]" 1
800 1 110 LEU QB 1 111 VAL H 0.000 . 4.000 2.850 2.794 2.891 . 0 0 "[ . 1 . 2 . ]" 1
801 1 110 LEU QD 1 111 VAL H 0.000 . 4.000 3.920 3.815 3.969 . 0 0 "[ . 1 . 2 . ]" 1
802 1 110 LEU H 1 111 VAL HB 0.000 . 5.000 5.029 4.972 5.049 0.049 21 0 "[ . 1 . 2 . ]" 1
803 1 110 LEU H 1 111 VAL H 0.000 . 4.000 2.694 2.658 2.761 . 0 0 "[ . 1 . 2 . ]" 1
804 1 110 LEU HA 1 113 ILE H 0.000 . 4.000 3.990 3.911 4.032 0.032 27 0 "[ . 1 . 2 . ]" 1
805 1 110 LEU QD 1 113 ILE H 0.000 . 5.000 4.991 4.925 5.022 0.022 19 0 "[ . 1 . 2 . ]" 1
806 1 110 LEU QD 1 115 LEU H 0.000 . 5.000 4.290 4.090 4.548 . 0 0 "[ . 1 . 2 . ]" 1
807 1 110 LEU H 1 115 LEU QB 0.000 . 5.000 4.326 4.139 4.440 . 0 0 "[ . 1 . 2 . ]" 1
808 1 110 LEU H 1 115 LEU QD 0.000 . 5.000 4.536 4.179 4.680 . 0 0 "[ . 1 . 2 . ]" 1
809 1 110 LEU H 1 116 ALA MB 0.000 . 5.000 4.744 4.652 5.010 0.010 11 0 "[ . 1 . 2 . ]" 1
810 1 111 VAL H 1 111 VAL HA 0.000 . 3.000 2.917 2.911 2.931 . 0 0 "[ . 1 . 2 . ]" 1
811 1 111 VAL H 1 111 VAL HB 0.000 . 3.000 2.521 2.400 2.553 . 0 0 "[ . 1 . 2 . ]" 1
812 1 111 VAL HA 1 112 GLU H 0.000 . 4.000 3.479 3.427 3.500 . 0 0 "[ . 1 . 2 . ]" 1
813 1 111 VAL HB 1 112 GLU H 0.000 . 3.000 2.921 2.710 3.011 0.011 21 0 "[ . 1 . 2 . ]" 1
814 1 111 VAL QG 1 112 GLU H 0.000 . 5.000 3.395 3.152 3.444 . 0 0 "[ . 1 . 2 . ]" 1
815 1 111 VAL H 1 112 GLU H 0.000 . 3.000 2.214 2.097 2.251 . 0 0 "[ . 1 . 2 . ]" 1
816 1 111 VAL H 1 113 ILE H 0.000 . 5.000 3.971 3.690 4.128 . 0 0 "[ . 1 . 2 . ]" 1
817 1 111 VAL HA 1 115 LEU H 0.000 . 4.000 4.026 3.997 4.046 0.046 5 0 "[ . 1 . 2 . ]" 1
818 1 111 VAL QG 1 118 ASP H 0.000 . 5.000 3.673 3.313 4.095 . 0 0 "[ . 1 . 2 . ]" 1
819 1 112 GLU H 1 112 GLU HA 0.000 . 3.000 2.853 2.802 2.893 . 0 0 "[ . 1 . 2 . ]" 1
820 1 112 GLU H 1 112 GLU QB 0.000 . 3.000 2.261 1.996 2.350 . 0 0 "[ . 1 . 2 . ]" 1
821 1 112 GLU H 1 112 GLU QG 0.000 . 4.000 2.789 2.571 3.862 . 0 0 "[ . 1 . 2 . ]" 1
822 1 112 GLU HA 1 113 ILE H 0.000 . 4.000 3.532 3.480 3.558 . 0 0 "[ . 1 . 2 . ]" 1
823 1 112 GLU QB 1 113 ILE H 0.000 . 4.000 2.609 2.384 2.960 . 0 0 "[ . 1 . 2 . ]" 1
824 1 112 GLU QG 1 113 ILE H 0.000 . 5.000 4.184 3.642 4.424 . 0 0 "[ . 1 . 2 . ]" 1
825 1 112 GLU H 1 113 ILE MD 0.000 . 5.000 3.931 3.862 4.097 . 0 0 "[ . 1 . 2 . ]" 1
826 1 112 GLU H 1 113 ILE QG 0.000 . 5.000 4.060 3.799 4.279 . 0 0 "[ . 1 . 2 . ]" 1
827 1 112 GLU H 1 113 ILE H 0.000 . 4.000 2.546 2.430 2.653 . 0 0 "[ . 1 . 2 . ]" 1
828 1 112 GLU QB 1 114 GLY H 0.000 . 5.000 4.433 4.239 4.726 . 0 0 "[ . 1 . 2 . ]" 1
829 1 112 GLU H 1 114 GLY H 0.000 . 5.000 3.665 3.539 3.925 . 0 0 "[ . 1 . 2 . ]" 1
830 1 113 ILE H 1 113 ILE MD 0.000 . 3.000 2.317 2.153 2.528 . 0 0 "[ . 1 . 2 . ]" 1
831 1 113 ILE H 1 113 ILE HB 0.000 . 4.000 3.683 3.626 3.768 . 0 0 "[ . 1 . 2 . ]" 1
832 1 113 ILE H 1 113 ILE QG 0.000 . 3.000 2.200 2.110 2.254 . 0 0 "[ . 1 . 2 . ]" 1
833 1 113 ILE MD 1 114 GLY H 0.000 . 5.000 3.599 3.429 3.961 . 0 0 "[ . 1 . 2 . ]" 1
834 1 113 ILE HA 1 114 GLY H 0.000 . 5.000 3.419 3.108 3.488 . 0 0 "[ . 1 . 2 . ]" 1
835 1 113 ILE HB 1 114 GLY H 0.000 . 5.000 4.184 4.012 4.431 . 0 0 "[ . 1 . 2 . ]" 1
836 1 113 ILE QG 1 114 GLY H 0.000 . 5.000 2.546 2.237 3.214 . 0 0 "[ . 1 . 2 . ]" 1
837 1 113 ILE H 1 114 GLY H 0.000 . 4.000 2.289 2.011 2.717 . 0 0 "[ . 1 . 2 . ]" 1
838 1 113 ILE HB 1 115 LEU H 0.000 . 5.000 4.597 4.454 4.841 . 0 0 "[ . 1 . 2 . ]" 1
839 1 113 ILE QG 1 115 LEU H 0.000 . 5.000 2.159 1.994 2.558 . 0 0 "[ . 1 . 2 . ]" 1
840 1 113 ILE H 1 115 LEU QB 0.000 . 5.000 4.323 4.104 4.468 . 0 0 "[ . 1 . 2 . ]" 1
841 1 113 ILE H 1 115 LEU H 0.000 . 5.000 3.662 3.486 3.866 . 0 0 "[ . 1 . 2 . ]" 1
842 1 114 GLY QA 1 115 LEU H 0.000 . 4.000 2.776 2.631 2.841 . 0 0 "[ . 1 . 2 . ]" 1
843 1 114 GLY H 1 115 LEU QB 0.000 . 5.000 3.903 3.712 4.454 . 0 0 "[ . 1 . 2 . ]" 1
844 1 114 GLY H 1 115 LEU H 0.000 . 4.000 2.266 2.053 2.933 . 0 0 "[ . 1 . 2 . ]" 1
845 1 115 LEU H 1 115 LEU HA 0.000 . 3.000 2.870 2.853 2.922 . 0 0 "[ . 1 . 2 . ]" 1
846 1 115 LEU H 1 115 LEU QB 0.000 . 3.000 2.136 2.071 2.289 . 0 0 "[ . 1 . 2 . ]" 1
847 1 115 LEU H 1 115 LEU QD 0.000 . 4.000 3.354 3.157 3.557 . 0 0 "[ . 1 . 2 . ]" 1
848 1 115 LEU H 1 115 LEU HG 0.000 . 5.000 4.606 4.571 4.655 . 0 0 "[ . 1 . 2 . ]" 1
849 1 115 LEU HA 1 116 ALA H 0.000 . 5.000 3.562 3.558 3.566 . 0 0 "[ . 1 . 2 . ]" 1
850 1 115 LEU QB 1 116 ALA H 0.000 . 4.000 1.912 1.782 1.967 . 0 0 "[ . 1 . 2 . ]" 1
851 1 115 LEU QD 1 116 ALA H 0.000 . 4.000 3.687 3.498 3.742 . 0 0 "[ . 1 . 2 . ]" 1
852 1 115 LEU HG 1 116 ALA H 0.000 . 5.000 3.938 3.380 4.127 . 0 0 "[ . 1 . 2 . ]" 1
853 1 115 LEU H 1 116 ALA H 0.000 . 3.000 2.858 2.633 2.952 . 0 0 "[ . 1 . 2 . ]" 1
854 1 116 ALA HA 1 117 LYS H 0.000 . 5.000 2.668 2.286 2.820 . 0 0 "[ . 1 . 2 . ]" 1
855 1 116 ALA MB 1 117 LYS H 0.000 . 5.000 2.114 1.929 2.753 . 0 0 "[ . 1 . 2 . ]" 1
856 1 116 ALA H 1 117 LYS H . 3.500 5.000 4.443 4.367 4.578 . 0 0 "[ . 1 . 2 . ]" 1
857 1 116 ALA MB 1 120 GLN H 0.000 . 5.000 4.565 4.348 4.738 . 0 0 "[ . 1 . 2 . ]" 1
858 1 117 LYS H 1 117 LYS QE 0.000 . 5.000 4.376 2.623 4.856 . 0 0 "[ . 1 . 2 . ]" 1
859 1 117 LYS H 1 117 LYS QG 0.000 . 5.000 3.861 3.286 4.267 . 0 0 "[ . 1 . 2 . ]" 1
860 1 117 LYS HA 1 118 ASP H 0.000 . 2.500 2.283 2.237 2.352 . 0 0 "[ . 1 . 2 . ]" 1
861 1 117 LYS QB 1 118 ASP H 0.000 . 3.000 2.979 2.651 3.039 0.039 5 0 "[ . 1 . 2 . ]" 1
862 1 117 LYS QG 1 118 ASP H 0.000 . 4.000 3.251 2.247 4.016 0.016 3 0 "[ . 1 . 2 . ]" 1
863 1 117 LYS H 1 118 ASP H 0.000 . 5.000 4.492 4.385 4.611 . 0 0 "[ . 1 . 2 . ]" 1
864 1 117 LYS HA 1 119 ASP H 0.000 . 4.000 4.000 3.940 4.031 0.031 26 0 "[ . 1 . 2 . ]" 1
865 1 117 LYS QB 1 119 ASP H 0.000 . 4.000 2.352 2.242 2.433 . 0 0 "[ . 1 . 2 . ]" 1
866 1 117 LYS QE 1 119 ASP H 0.000 . 5.000 4.546 3.210 5.044 0.044 2 0 "[ . 1 . 2 . ]" 1
867 1 117 LYS QG 1 119 ASP H 0.000 . 5.000 3.862 3.042 4.631 . 0 0 "[ . 1 . 2 . ]" 1
868 1 117 LYS QB 1 120 GLN H 0.000 . 4.000 2.426 2.077 2.894 . 0 0 "[ . 1 . 2 . ]" 1
869 1 117 LYS QG 1 120 GLN H 0.000 . 5.000 4.356 3.884 4.862 . 0 0 "[ . 1 . 2 . ]" 1
870 1 117 LYS H 1 120 GLN QB 0.000 . 4.000 2.042 1.951 2.204 . 0 0 "[ . 1 . 2 . ]" 1
871 1 117 LYS H 1 120 GLN HA 0.000 . 5.000 5.013 4.950 5.047 0.047 19 0 "[ . 1 . 2 . ]" 1
872 1 117 LYS H 1 120 GLN QB 0.000 . 4.000 2.072 1.964 2.234 . 0 0 "[ . 1 . 2 . ]" 1
873 1 117 LYS H 1 120 GLN HE21 0.000 . 5.000 3.260 1.972 4.562 . 0 0 "[ . 1 . 2 . ]" 1
874 1 117 LYS H 1 120 GLN HE22 0.000 . 5.000 4.005 3.089 4.733 . 0 0 "[ . 1 . 2 . ]" 1
875 1 117 LYS H 1 120 GLN QG 0.000 . 5.000 3.210 2.608 3.590 . 0 0 "[ . 1 . 2 . ]" 1
876 1 117 LYS H 1 120 GLN H 0.000 . 5.000 3.543 3.328 3.704 . 0 0 "[ . 1 . 2 . ]" 1
877 1 117 LYS H 1 121 LEU QD 0.000 . 5.000 4.498 3.692 4.995 . 0 0 "[ . 1 . 2 . ]" 1
878 1 118 ASP H 1 118 ASP HA 0.000 . 3.000 2.784 2.757 2.816 . 0 0 "[ . 1 . 2 . ]" 1
879 1 118 ASP H 1 118 ASP QB 0.000 . 3.000 2.531 2.232 2.750 . 0 0 "[ . 1 . 2 . ]" 1
880 1 118 ASP HA 1 119 ASP H 0.000 . 4.000 3.474 3.447 3.492 . 0 0 "[ . 1 . 2 . ]" 1
881 1 118 ASP QB 1 119 ASP H 0.000 . 5.000 3.284 2.783 3.588 . 0 0 "[ . 1 . 2 . ]" 1
882 1 118 ASP H 1 119 ASP H 0.000 . 4.000 2.684 2.576 2.761 . 0 0 "[ . 1 . 2 . ]" 1
883 1 118 ASP HA 1 120 GLN H 0.000 . 5.000 4.037 3.767 4.251 . 0 0 "[ . 1 . 2 . ]" 1
884 1 118 ASP H 1 120 GLN QB 0.000 . 5.000 4.553 4.438 4.755 . 0 0 "[ . 1 . 2 . ]" 1
885 1 118 ASP H 1 120 GLN H 0.000 . 5.000 3.989 3.857 4.099 . 0 0 "[ . 1 . 2 . ]" 1
886 1 118 ASP HA 1 121 LEU H 0.000 . 4.000 3.439 3.002 3.588 . 0 0 "[ . 1 . 2 . ]" 1
887 1 118 ASP H 1 121 LEU H 0.000 . 5.000 4.912 4.565 5.033 0.033 29 0 "[ . 1 . 2 . ]" 1
888 1 119 ASP H 1 119 ASP HA 0.000 . 3.000 2.882 2.873 2.894 . 0 0 "[ . 1 . 2 . ]" 1
889 1 119 ASP HA 1 120 GLN H 0.000 . 4.000 3.450 3.390 3.491 . 0 0 "[ . 1 . 2 . ]" 1
890 1 119 ASP QB 1 120 GLN H 0.000 . 5.000 3.056 2.805 3.677 . 0 0 "[ . 1 . 2 . ]" 1
891 1 119 ASP H 1 120 GLN QB 0.000 . 5.000 3.625 3.451 3.777 . 0 0 "[ . 1 . 2 . ]" 1
892 1 119 ASP H 1 120 GLN HA 0.000 . 5.000 5.018 4.971 5.044 0.044 15 0 "[ . 1 . 2 . ]" 1
893 1 119 ASP H 1 120 GLN QB 0.000 . 5.000 4.462 4.282 4.627 . 0 0 "[ . 1 . 2 . ]" 1
894 1 119 ASP H 1 120 GLN QG 0.000 . 5.000 3.850 3.569 4.200 . 0 0 "[ . 1 . 2 . ]" 1
895 1 119 ASP H 1 120 GLN H 0.000 . 3.000 2.349 2.310 2.370 . 0 0 "[ . 1 . 2 . ]" 1
896 1 119 ASP HA 1 121 LEU H 0.000 . 5.000 3.798 3.667 4.119 . 0 0 "[ . 1 . 2 . ]" 1
897 1 119 ASP H 1 121 LEU QD 0.000 . 5.000 4.409 4.269 4.653 . 0 0 "[ . 1 . 2 . ]" 1
898 1 119 ASP H 1 121 LEU H 0.000 . 5.000 3.808 3.662 3.880 . 0 0 "[ . 1 . 2 . ]" 1
899 1 120 GLN H 1 120 GLN QB 0.000 . 3.000 2.164 2.041 2.264 . 0 0 "[ . 1 . 2 . ]" 1
900 1 120 GLN HA 1 120 GLN HE21 0.000 . 5.000 4.239 3.777 4.597 . 0 0 "[ . 1 . 2 . ]" 1
901 1 120 GLN H 1 120 GLN QB 0.000 . 3.000 2.464 2.290 2.661 . 0 0 "[ . 1 . 2 . ]" 1
902 1 120 GLN H 1 120 GLN QG 0.000 . 4.000 2.422 2.161 2.658 . 0 0 "[ . 1 . 2 . ]" 1
903 1 120 GLN QB 1 121 LEU H 0.000 . 4.000 3.145 3.001 3.422 . 0 0 "[ . 1 . 2 . ]" 1
904 1 120 GLN HA 1 121 LEU H 0.000 . 4.000 3.336 3.142 3.392 . 0 0 "[ . 1 . 2 . ]" 1
905 1 120 GLN QB 1 121 LEU H 0.000 . 4.000 3.245 3.096 3.594 . 0 0 "[ . 1 . 2 . ]" 1
906 1 120 GLN QG 1 121 LEU H 0.000 . 5.000 4.243 3.990 4.372 . 0 0 "[ . 1 . 2 . ]" 1
907 1 120 GLN H 1 121 LEU HA 0.000 . 5.000 4.768 4.508 4.962 . 0 0 "[ . 1 . 2 . ]" 1
908 1 120 GLN H 1 121 LEU QD 0.000 . 5.000 4.390 4.273 4.444 . 0 0 "[ . 1 . 2 . ]" 1
909 1 120 GLN H 1 121 LEU HG 0.000 . 4.000 3.975 3.773 4.026 0.026 14 0 "[ . 1 . 2 . ]" 1
910 1 120 GLN H 1 121 LEU H 0.000 . 3.000 2.364 2.069 2.496 . 0 0 "[ . 1 . 2 . ]" 1
911 1 121 LEU H 1 121 LEU QB 0.000 . 3.000 2.337 2.178 2.454 . 0 0 "[ . 1 . 2 . ]" 1
912 1 121 LEU H 1 121 LEU QD 0.000 . 4.000 3.200 3.081 3.472 . 0 0 "[ . 1 . 2 . ]" 1
913 1 121 LEU H 1 121 LEU HG 0.000 . 3.000 2.486 2.213 3.027 0.027 29 0 "[ . 1 . 2 . ]" 1
914 1 121 LEU HA 1 122 LYS H 0.000 . 2.500 2.259 2.153 2.546 0.046 29 0 "[ . 1 . 2 . ]" 1
915 1 121 LEU QB 1 122 LYS H 0.000 . 4.000 3.756 3.511 3.889 . 0 0 "[ . 1 . 2 . ]" 1
916 1 121 LEU QD 1 122 LYS H 0.000 . 5.000 3.780 3.452 4.019 . 0 0 "[ . 1 . 2 . ]" 1
917 1 121 LEU HG 1 122 LYS H 0.000 . 5.000 5.018 4.971 5.062 0.062 10 0 "[ . 1 . 2 . ]" 1
918 1 121 LEU H 1 122 LYS QG 0.000 . 5.000 4.953 4.517 5.111 0.111 29 0 "[ . 1 . 2 . ]" 1
919 1 121 LEU H 1 122 LYS H . 3.500 5.000 4.123 3.496 4.402 0.004 29 0 "[ . 1 . 2 . ]" 1
920 1 121 LEU HA 1 123 VAL H 0.000 . 5.000 4.652 4.353 4.892 . 0 0 "[ . 1 . 2 . ]" 1
921 1 122 LYS H 1 122 LYS QB 0.000 . 3.000 2.296 2.090 2.586 . 0 0 "[ . 1 . 2 . ]" 1
922 1 122 LYS H 1 122 LYS QD 0.000 . 5.000 4.435 4.179 4.515 . 0 0 "[ . 1 . 2 . ]" 1
923 1 122 LYS H 1 122 LYS QG 0.000 . 5.000 3.389 2.932 3.534 . 0 0 "[ . 1 . 2 . ]" 1
924 1 122 LYS HA 1 123 VAL H 0.000 . 5.000 2.380 2.261 3.561 . 0 0 "[ . 1 . 2 . ]" 1
925 1 122 LYS QB 1 123 VAL H 0.000 . 4.000 3.814 2.183 3.917 . 0 0 "[ . 1 . 2 . ]" 1
926 1 122 LYS QD 1 123 VAL H 0.000 . 4.000 3.801 3.483 4.118 0.118 29 0 "[ . 1 . 2 . ]" 1
927 1 122 LYS QE 1 123 VAL H 0.000 . 5.000 4.785 4.454 5.084 0.084 29 0 "[ . 1 . 2 . ]" 1
928 1 122 LYS H 1 123 VAL H . 3.500 5.000 3.728 3.260 3.901 0.240 29 0 "[ . 1 . 2 . ]" 1
929 1 123 VAL H 1 123 VAL HB 0.000 . 3.000 2.797 2.639 3.155 0.155 27 0 "[ . 1 . 2 . ]" 1
930 1 123 VAL H 1 123 VAL QG 0.000 . 2.500 1.985 1.874 2.688 0.188 29 0 "[ . 1 . 2 . ]" 1
931 1 123 VAL HA 1 124 HIS H 0.000 . 2.500 2.147 2.118 2.173 . 0 0 "[ . 1 . 2 . ]" 1
932 1 123 VAL QG 1 124 HIS H 0.000 . 3.000 2.717 2.487 3.007 0.007 29 0 "[ . 1 . 2 . ]" 1
933 1 123 VAL H 1 124 HIS H . 3.500 5.000 4.420 3.739 4.509 . 0 0 "[ . 1 . 2 . ]" 1
934 1 124 HIS H 1 124 HIS HD2 0.000 . 4.000 2.787 2.424 3.291 . 0 0 "[ . 1 . 2 . ]" 1
935 1 124 HIS QB 1 125 GLY H 0.000 . 5.000 3.499 1.954 3.911 . 0 0 "[ . 1 . 2 . ]" 1
936 1 124 HIS H 1 125 GLY H 0.000 . 5.000 3.146 1.898 4.375 . 0 0 "[ . 1 . 2 . ]" 1
937 1 124 HIS QB 1 126 PHE H 0.000 . 5.000 4.849 3.351 5.039 0.039 7 0 "[ . 1 . 2 . ]" 1
938 1 125 GLY QA 1 126 PHE H 0.000 . 3.000 2.147 2.106 2.522 . 0 0 "[ . 1 . 2 . ]" 1
939 1 125 GLY H 1 126 PHE H 0.000 . 5.000 4.355 3.157 4.507 . 0 0 "[ . 1 . 2 . ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 751
_Distance_constraint_stats_list.Viol_count 2376
_Distance_constraint_stats_list.Viol_total 1941.417
_Distance_constraint_stats_list.Viol_max 0.376
_Distance_constraint_stats_list.Viol_rms 0.0123
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0031
_Distance_constraint_stats_list.Viol_average_violations_only 0.0282
_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 2 ARG 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 11 THR 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 12 ASP 0.066 0.029 10 0 "[ . 1 . 2 . ]"
1 13 PRO 0.883 0.182 23 0 "[ . 1 . 2 . ]"
1 14 MET 0.895 0.124 16 0 "[ . 1 . 2 . ]"
1 16 ALA 0.883 0.182 23 0 "[ . 1 . 2 . ]"
1 17 ILE 1.572 0.124 16 0 "[ . 1 . 2 . ]"
1 18 GLN 0.077 0.035 9 0 "[ . 1 . 2 . ]"
1 19 ASN 0.060 0.035 6 0 "[ . 1 . 2 . ]"
1 20 LEU 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 21 HIS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 23 PHE 0.183 0.039 4 0 "[ . 1 . 2 . ]"
1 24 ASP 0.107 0.036 26 0 "[ . 1 . 2 . ]"
1 25 PRO 0.009 0.009 7 0 "[ . 1 . 2 . ]"
1 26 PHE 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 31 LYS 0.009 0.009 27 0 "[ . 1 . 2 . ]"
1 33 ASP 0.047 0.022 21 0 "[ . 1 . 2 . ]"
1 35 LEU 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 36 LEU 0.075 0.035 15 0 "[ . 1 . 2 . ]"
1 37 PRO 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 40 THR 0.187 0.032 6 0 "[ . 1 . 2 . ]"
1 41 GLU 2.252 0.119 11 0 "[ . 1 . 2 . ]"
1 42 ASP 0.110 0.028 6 0 "[ . 1 . 2 . ]"
1 43 TYR 2.470 0.119 11 0 "[ . 1 . 2 . ]"
1 44 ILE 1.489 0.077 10 0 "[ . 1 . 2 . ]"
1 45 HIS 1.547 0.045 29 0 "[ . 1 . 2 . ]"
1 46 ILE 4.289 0.119 28 0 "[ . 1 . 2 . ]"
1 47 ARG 0.161 0.054 29 0 "[ . 1 . 2 . ]"
1 48 ILE 3.195 0.092 28 0 "[ . 1 . 2 . ]"
1 49 GLN 1.554 0.133 23 0 "[ . 1 . 2 . ]"
1 50 GLN 2.795 0.092 28 0 "[ . 1 . 2 . ]"
1 51 ARG 0.288 0.039 1 0 "[ . 1 . 2 . ]"
1 52 ASN 0.100 0.015 26 0 "[ . 1 . 2 . ]"
1 53 GLY 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 54 ARG 1.603 0.084 6 0 "[ . 1 . 2 . ]"
1 55 LYS 0.016 0.010 25 0 "[ . 1 . 2 . ]"
1 56 THR 1.400 0.090 18 0 "[ . 1 . 2 . ]"
1 57 LEU 3.931 0.090 8 0 "[ . 1 . 2 . ]"
1 58 THR 1.068 0.078 4 0 "[ . 1 . 2 . ]"
1 59 THR 0.899 0.054 10 0 "[ . 1 . 2 . ]"
1 60 VAL 5.527 0.119 28 0 "[ . 1 . 2 . ]"
1 61 GLN 1.000 0.116 20 0 "[ . 1 . 2 . ]"
1 62 GLY 1.327 0.116 20 0 "[ . 1 . 2 . ]"
1 63 ILE 4.111 0.103 24 0 "[ . 1 . 2 . ]"
1 64 ALA 1.080 0.059 5 0 "[ . 1 . 2 . ]"
1 65 ASP 0.064 0.030 23 0 "[ . 1 . 2 . ]"
1 66 ASP 0.030 0.030 23 0 "[ . 1 . 2 . ]"
1 67 TYR 6.475 0.130 24 0 "[ . 1 . 2 . ]"
1 68 ASP 0.008 0.008 9 0 "[ . 1 . 2 . ]"
1 69 LYS 0.168 0.025 25 0 "[ . 1 . 2 . ]"
1 70 LYS 0.181 0.035 25 0 "[ . 1 . 2 . ]"
1 71 LYS 0.008 0.008 9 0 "[ . 1 . 2 . ]"
1 72 LEU 1.536 0.130 24 0 "[ . 1 . 2 . ]"
1 73 VAL 1.697 0.076 17 0 "[ . 1 . 2 . ]"
1 75 ALA 0.099 0.028 29 0 "[ . 1 . 2 . ]"
1 76 PHE 6.161 0.090 24 0 "[ . 1 . 2 . ]"
1 77 LYS 0.033 0.015 15 0 "[ . 1 . 2 . ]"
1 78 LYS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 79 LYS 0.610 0.030 19 0 "[ . 1 . 2 . ]"
1 80 PHE 2.921 0.104 24 0 "[ . 1 . 2 . ]"
1 81 ALA 0.056 0.015 12 0 "[ . 1 . 2 . ]"
1 82 CYS 0.659 0.052 29 0 "[ . 1 . 2 . ]"
1 83 ASN 0.451 0.039 15 0 "[ . 1 . 2 . ]"
1 84 GLY 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 85 THR 0.078 0.050 1 0 "[ . 1 . 2 . ]"
1 86 VAL 2.031 0.375 26 0 "[ . 1 . 2 . ]"
1 87 ILE 1.126 0.064 11 0 "[ . 1 . 2 . ]"
1 88 GLU 1.070 0.040 17 0 "[ . 1 . 2 . ]"
1 89 HIS 2.661 0.064 11 0 "[ . 1 . 2 . ]"
1 90 PRO 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 91 GLU 2.630 0.052 15 0 "[ . 1 . 2 . ]"
1 92 TYR 0.951 0.042 11 0 "[ . 1 . 2 . ]"
1 93 GLY 0.312 0.038 12 0 "[ . 1 . 2 . ]"
1 94 GLU 0.539 0.038 15 0 "[ . 1 . 2 . ]"
1 95 VAL 0.775 0.054 10 0 "[ . 1 . 2 . ]"
1 96 ILE 2.301 0.090 7 0 "[ . 1 . 2 . ]"
1 97 GLN 0.554 0.029 12 0 "[ . 1 . 2 . ]"
1 98 LEU 3.502 0.078 4 0 "[ . 1 . 2 . ]"
1 99 GLN 2.329 0.090 8 0 "[ . 1 . 2 . ]"
1 100 GLY 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 101 ASP 0.668 0.042 22 0 "[ . 1 . 2 . ]"
1 102 GLN 0.881 0.084 21 0 "[ . 1 . 2 . ]"
1 103 ARG 0.949 0.062 14 0 "[ . 1 . 2 . ]"
1 104 LYS 0.158 0.037 6 0 "[ . 1 . 2 . ]"
1 105 ASN 1.952 0.089 7 0 "[ . 1 . 2 . ]"
1 106 ILE 1.323 0.061 7 0 "[ . 1 . 2 . ]"
1 107 CYS 1.237 0.070 14 0 "[ . 1 . 2 . ]"
1 108 GLN 2.981 0.104 24 0 "[ . 1 . 2 . ]"
1 109 PHE 2.491 0.136 27 0 "[ . 1 . 2 . ]"
1 110 LEU 0.231 0.063 11 0 "[ . 1 . 2 . ]"
1 111 VAL 0.109 0.068 25 0 "[ . 1 . 2 . ]"
1 112 GLU 1.074 0.136 27 0 "[ . 1 . 2 . ]"
1 113 ILE 1.613 0.084 6 0 "[ . 1 . 2 . ]"
1 115 LEU 1.519 0.077 11 0 "[ . 1 . 2 . ]"
1 116 ALA 1.934 0.103 24 0 "[ . 1 . 2 . ]"
1 117 LYS 0.807 0.038 19 0 "[ . 1 . 2 . ]"
1 118 ASP 1.655 0.095 10 0 "[ . 1 . 2 . ]"
1 120 GLN 0.198 0.051 15 0 "[ . 1 . 2 . ]"
1 121 LEU 2.842 0.095 10 0 "[ . 1 . 2 . ]"
1 122 LYS 1.408 0.225 25 0 "[ . 1 . 2 . ]"
1 123 VAL 0.706 0.376 28 0 "[ . 1 . 2 . ]"
1 124 HIS 1.129 0.066 11 0 "[ . 1 . 2 . ]"
1 125 GLY 0.336 0.073 23 0 "[ . 1 . 2 . ]"
1 126 PHE 0.874 0.133 23 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 2 ARG HA 1 2 ARG QD 0.000 . 5.000 3.379 2.136 4.513 . 0 0 "[ . 1 . 2 . ]" 2
2 1 11 THR HA 1 11 THR MG 0.000 . 2.500 2.258 2.060 2.493 . 0 0 "[ . 1 . 2 . ]" 2
3 1 11 THR HB 1 11 THR MG 0.000 . 2.500 2.096 2.072 2.118 . 0 0 "[ . 1 . 2 . ]" 2
4 1 12 ASP HA 1 12 ASP QB 0.000 . 2.500 2.390 2.180 2.529 0.029 10 0 "[ . 1 . 2 . ]" 2
5 1 12 ASP HA 1 13 PRO QD 0.000 . 2.500 2.043 1.893 2.374 . 0 0 "[ . 1 . 2 . ]" 2
6 1 12 ASP HA 1 13 PRO QG 0.000 . 5.000 3.943 3.795 4.252 . 0 0 "[ . 1 . 2 . ]" 2
7 1 12 ASP QB 1 13 PRO QD 0.000 . 5.000 3.389 2.270 3.857 . 0 0 "[ . 1 . 2 . ]" 2
8 1 13 PRO HA 1 13 PRO QB 0.000 . 2.500 2.204 2.177 2.232 . 0 0 "[ . 1 . 2 . ]" 2
9 1 13 PRO HA 1 16 ALA MB 0.000 . 5.000 4.336 2.919 5.182 0.182 23 0 "[ . 1 . 2 . ]" 2
10 1 14 MET HA 1 14 MET QB 0.000 . 2.500 2.394 2.290 2.519 0.019 20 0 "[ . 1 . 2 . ]" 2
11 1 14 MET HA 1 14 MET QG 0.000 . 3.000 2.400 2.055 2.733 . 0 0 "[ . 1 . 2 . ]" 2
12 1 14 MET HA 1 17 ILE MD 0.000 . 3.000 2.240 1.869 3.065 0.065 20 0 "[ . 1 . 2 . ]" 2
13 1 14 MET HA 1 17 ILE HB 0.000 . 5.000 4.583 3.891 5.032 0.032 18 0 "[ . 1 . 2 . ]" 2
14 1 14 MET HA 1 17 ILE MD 0.000 . 5.000 2.250 1.871 3.089 . 0 0 "[ . 1 . 2 . ]" 2
15 1 14 MET HA 1 17 ILE QG 0.000 . 5.000 2.656 1.981 4.802 . 0 0 "[ . 1 . 2 . ]" 2
16 1 14 MET HA 1 17 ILE MG 0.000 . 5.000 4.454 4.038 5.124 0.124 16 0 "[ . 1 . 2 . ]" 2
17 1 14 MET QB 1 17 ILE MD 0.000 . 3.000 2.813 2.080 3.070 0.070 18 0 "[ . 1 . 2 . ]" 2
18 1 17 ILE HA 1 17 ILE MD 0.000 . 2.500 2.308 2.151 2.523 0.023 23 0 "[ . 1 . 2 . ]" 2
19 1 17 ILE HA 1 17 ILE HB 0.000 . 3.000 3.012 2.996 3.019 0.019 1 0 "[ . 1 . 2 . ]" 2
20 1 17 ILE HA 1 17 ILE QG 0.000 . 3.000 2.489 2.277 2.586 . 0 0 "[ . 1 . 2 . ]" 2
21 1 17 ILE HA 1 17 ILE MG 0.000 . 2.500 2.327 2.161 2.563 0.063 23 0 "[ . 1 . 2 . ]" 2
22 1 17 ILE HB 1 17 ILE MD 0.000 . 2.500 2.310 2.075 2.511 0.011 1 0 "[ . 1 . 2 . ]" 2
23 1 17 ILE HB 1 17 ILE QG 0.000 . 2.500 2.428 2.343 2.534 0.034 6 0 "[ . 1 . 2 . ]" 2
24 1 17 ILE QG 1 17 ILE MG 0.000 . 3.000 2.212 1.965 2.362 . 0 0 "[ . 1 . 2 . ]" 2
25 1 18 GLN HA 1 18 GLN QB 0.000 . 2.500 2.351 2.171 2.535 0.035 9 0 "[ . 1 . 2 . ]" 2
26 1 19 ASN HA 1 19 ASN QB 0.000 . 2.500 2.429 2.163 2.535 0.035 6 0 "[ . 1 . 2 . ]" 2
27 1 20 LEU HA 1 20 LEU QD 0.000 . 2.500 2.136 1.867 2.455 . 0 0 "[ . 1 . 2 . ]" 2
28 1 21 HIS HA 1 21 HIS HD2 0.000 . 5.000 3.965 2.416 4.925 . 0 0 "[ . 1 . 2 . ]" 2
29 1 23 PHE HA 1 23 PHE QB 0.000 . 2.500 2.388 2.176 2.539 0.039 4 0 "[ . 1 . 2 . ]" 2
30 1 24 ASP HA 1 24 ASP QB 0.000 . 2.500 2.418 2.175 2.536 0.036 26 0 "[ . 1 . 2 . ]" 2
31 1 24 ASP HA 1 25 PRO HA 0.000 . 5.000 4.577 4.397 4.746 . 0 0 "[ . 1 . 2 . ]" 2
32 1 24 ASP HA 1 25 PRO QB 0.000 . 5.000 4.695 4.571 4.806 . 0 0 "[ . 1 . 2 . ]" 2
33 1 24 ASP HA 1 25 PRO QD 0.000 . 2.500 2.089 1.884 2.369 . 0 0 "[ . 1 . 2 . ]" 2
34 1 24 ASP HA 1 25 PRO QG 0.000 . 5.000 3.990 3.790 4.276 . 0 0 "[ . 1 . 2 . ]" 2
35 1 24 ASP QB 1 25 PRO QD 0.000 . 5.000 3.417 2.334 3.848 . 0 0 "[ . 1 . 2 . ]" 2
36 1 25 PRO HA 1 25 PRO QB 0.000 . 2.500 2.220 2.205 2.233 . 0 0 "[ . 1 . 2 . ]" 2
37 1 25 PRO HA 1 25 PRO QG 0.000 . 3.000 2.936 2.867 3.009 0.009 7 0 "[ . 1 . 2 . ]" 2
38 1 25 PRO QB 1 25 PRO QD 0.000 . 3.000 2.758 2.739 2.778 . 0 0 "[ . 1 . 2 . ]" 2
39 1 25 PRO QD 1 25 PRO QG 0.000 . 2.500 1.969 1.965 1.976 . 0 0 "[ . 1 . 2 . ]" 2
40 1 25 PRO QB 1 26 PHE HA 0.000 . 5.000 4.058 3.914 4.187 . 0 0 "[ . 1 . 2 . ]" 2
41 1 25 PRO QB 1 26 PHE QB 0.000 . 5.000 4.111 3.406 4.633 . 0 0 "[ . 1 . 2 . ]" 2
42 1 31 LYS HA 1 31 LYS QD 0.000 . 5.000 3.476 1.975 4.478 . 0 0 "[ . 1 . 2 . ]" 2
43 1 31 LYS HA 1 31 LYS QE 0.000 . 5.000 4.273 2.907 5.009 0.009 27 0 "[ . 1 . 2 . ]" 2
44 1 33 ASP HA 1 33 ASP QB 0.000 . 2.500 2.392 2.181 2.522 0.022 21 0 "[ . 1 . 2 . ]" 2
45 1 35 LEU HA 1 35 LEU QD 0.000 . 2.500 2.073 1.837 2.458 . 0 0 "[ . 1 . 2 . ]" 2
46 1 36 LEU HA 1 36 LEU QB 0.000 . 2.500 2.409 2.251 2.535 0.035 15 0 "[ . 1 . 2 . ]" 2
47 1 36 LEU HA 1 36 LEU QD 0.000 . 2.500 2.194 1.862 2.495 . 0 0 "[ . 1 . 2 . ]" 2
48 1 36 LEU QB 1 36 LEU QD 0.000 . 2.500 1.930 1.816 2.051 . 0 0 "[ . 1 . 2 . ]" 2
49 1 36 LEU HA 1 37 PRO QD 0.000 . 2.500 2.025 1.894 2.138 . 0 0 "[ . 1 . 2 . ]" 2
50 1 36 LEU HA 1 37 PRO QG 0.000 . 5.000 3.926 3.800 4.049 . 0 0 "[ . 1 . 2 . ]" 2
51 1 36 LEU QB 1 37 PRO QD 0.000 . 3.000 2.400 1.951 2.999 . 0 0 "[ . 1 . 2 . ]" 2
52 1 36 LEU QD 1 37 PRO QD 0.000 . 5.000 2.573 1.790 3.223 . 0 0 "[ . 1 . 2 . ]" 2
53 1 37 PRO HA 1 37 PRO QB 0.000 . 2.500 2.202 2.175 2.234 . 0 0 "[ . 1 . 2 . ]" 2
54 1 40 THR HB 1 40 THR MG 0.000 . 2.500 2.101 2.072 2.119 . 0 0 "[ . 1 . 2 . ]" 2
55 1 40 THR HA 1 43 TYR QD 0.000 . 5.000 4.620 3.094 5.021 0.021 4 0 "[ . 1 . 2 . ]" 2
56 1 40 THR HA 1 43 TYR QE 0.000 . 5.000 3.826 2.722 4.819 . 0 0 "[ . 1 . 2 . ]" 2
57 1 40 THR HB 1 43 TYR QD 0.000 . 5.000 4.578 3.265 5.032 0.032 6 0 "[ . 1 . 2 . ]" 2
58 1 40 THR MG 1 43 TYR QD 0.000 . 5.000 4.453 3.585 5.022 0.022 19 0 "[ . 1 . 2 . ]" 2
59 1 40 THR MG 1 43 TYR QE 0.000 . 5.000 4.292 3.236 5.000 . 0 0 "[ . 1 . 2 . ]" 2
60 1 41 GLU HA 1 41 GLU QB 0.000 . 2.500 2.509 2.312 2.535 0.035 4 0 "[ . 1 . 2 . ]" 2
61 1 41 GLU HA 1 41 GLU QG 0.000 . 2.500 2.204 2.002 2.505 0.005 16 0 "[ . 1 . 2 . ]" 2
62 1 41 GLU QB 1 41 GLU QG 0.000 . 2.500 2.045 1.998 2.086 . 0 0 "[ . 1 . 2 . ]" 2
63 1 41 GLU HA 1 43 TYR QD 0.000 . 5.000 4.863 3.141 5.119 0.119 11 0 "[ . 1 . 2 . ]" 2
64 1 41 GLU HA 1 43 TYR QE 0.000 . 5.000 4.276 2.469 4.816 . 0 0 "[ . 1 . 2 . ]" 2
65 1 41 GLU QB 1 43 TYR QD 0.000 . 5.000 3.046 2.561 5.035 0.035 27 0 "[ . 1 . 2 . ]" 2
66 1 41 GLU QB 1 43 TYR QE 0.000 . 5.000 2.199 1.779 5.044 0.044 19 0 "[ . 1 . 2 . ]" 2
67 1 41 GLU QG 1 43 TYR QD 0.000 . 5.000 4.730 4.394 5.017 0.017 27 0 "[ . 1 . 2 . ]" 2
68 1 41 GLU QG 1 43 TYR QE 0.000 . 5.000 3.362 2.754 4.450 . 0 0 "[ . 1 . 2 . ]" 2
69 1 42 ASP HA 1 43 TYR QD 0.000 . 5.000 4.843 4.511 4.976 . 0 0 "[ . 1 . 2 . ]" 2
70 1 42 ASP QB 1 43 TYR QD 0.000 . 5.000 4.893 4.389 5.028 0.028 6 0 "[ . 1 . 2 . ]" 2
71 1 43 TYR HA 1 43 TYR QB 0.000 . 2.500 2.355 2.294 2.416 . 0 0 "[ . 1 . 2 . ]" 2
72 1 43 TYR HA 1 43 TYR QD 0.000 . 2.500 2.047 1.951 2.556 0.056 19 0 "[ . 1 . 2 . ]" 2
73 1 43 TYR HA 1 43 TYR QE 0.000 . 5.000 4.381 4.258 4.535 . 0 0 "[ . 1 . 2 . ]" 2
74 1 43 TYR QB 1 43 TYR QD 0.000 . 3.000 2.255 2.133 2.329 . 0 0 "[ . 1 . 2 . ]" 2
75 1 43 TYR QB 1 45 HIS HE1 0.000 . 5.000 4.938 4.167 5.045 0.045 29 0 "[ . 1 . 2 . ]" 2
76 1 43 TYR QD 1 45 HIS HE1 0.000 . 5.000 4.950 4.404 5.027 0.027 19 0 "[ . 1 . 2 . ]" 2
77 1 43 TYR HA 1 120 GLN HA 0.000 . 2.500 2.009 1.880 2.369 . 0 0 "[ . 1 . 2 . ]" 2
78 1 43 TYR HA 1 120 GLN QB 0.000 . 5.000 2.025 1.903 2.357 . 0 0 "[ . 1 . 2 . ]" 2
79 1 43 TYR HA 1 120 GLN QG 0.000 . 5.000 2.297 1.947 3.000 . 0 0 "[ . 1 . 2 . ]" 2
80 1 43 TYR QD 1 120 GLN HA 0.000 . 2.500 1.950 1.885 2.275 . 0 0 "[ . 1 . 2 . ]" 2
81 1 43 TYR QD 1 120 GLN QB 0.000 . 5.000 3.431 3.278 3.786 . 0 0 "[ . 1 . 2 . ]" 2
82 1 43 TYR QD 1 120 GLN QG 0.000 . 5.000 2.451 2.181 3.940 . 0 0 "[ . 1 . 2 . ]" 2
83 1 43 TYR QE 1 120 GLN HA 0.000 . 5.000 3.795 3.447 4.076 . 0 0 "[ . 1 . 2 . ]" 2
84 1 43 TYR QE 1 120 GLN QG 0.000 . 5.000 4.024 3.670 5.002 0.002 19 0 "[ . 1 . 2 . ]" 2
85 1 43 TYR HA 1 122 LYS QG 0.000 . 5.000 4.011 3.603 4.159 . 0 0 "[ . 1 . 2 . ]" 2
86 1 43 TYR QB 1 122 LYS QB 0.000 . 3.000 2.631 2.453 3.016 0.016 29 0 "[ . 1 . 2 . ]" 2
87 1 43 TYR QB 1 122 LYS QD 0.000 . 5.000 3.576 3.450 3.774 . 0 0 "[ . 1 . 2 . ]" 2
88 1 43 TYR QB 1 122 LYS QG 0.000 . 2.500 1.785 1.706 1.923 . 0 0 "[ . 1 . 2 . ]" 2
89 1 43 TYR QD 1 122 LYS QB 0.000 . 5.000 4.172 3.659 4.488 . 0 0 "[ . 1 . 2 . ]" 2
90 1 43 TYR QD 1 122 LYS QD 0.000 . 5.000 3.243 2.302 4.154 . 0 0 "[ . 1 . 2 . ]" 2
91 1 43 TYR QD 1 122 LYS QE 0.000 . 3.000 2.225 1.975 3.012 0.012 25 0 "[ . 1 . 2 . ]" 2
92 1 43 TYR QD 1 122 LYS QG 0.000 . 3.000 2.391 1.841 2.679 . 0 0 "[ . 1 . 2 . ]" 2
93 1 43 TYR QE 1 122 LYS QE 0.000 . 3.000 2.947 2.587 3.088 0.088 25 0 "[ . 1 . 2 . ]" 2
94 1 43 TYR QE 1 122 LYS QG 0.000 . 5.000 4.136 3.594 4.404 . 0 0 "[ . 1 . 2 . ]" 2
95 1 44 ILE HA 1 44 ILE HB 0.000 . 3.000 3.020 3.003 3.025 0.025 7 0 "[ . 1 . 2 . ]" 2
96 1 44 ILE HA 1 44 ILE MG 0.000 . 2.500 2.418 2.318 2.577 0.077 10 0 "[ . 1 . 2 . ]" 2
97 1 44 ILE HB 1 44 ILE MG 0.000 . 2.500 2.123 2.091 2.132 . 0 0 "[ . 1 . 2 . ]" 2
98 1 44 ILE MG 1 45 HIS HA 0.000 . 5.000 4.264 4.028 4.546 . 0 0 "[ . 1 . 2 . ]" 2
99 1 44 ILE MG 1 46 ILE HA 0.000 . 5.000 4.130 3.769 5.004 0.004 19 0 "[ . 1 . 2 . ]" 2
100 1 44 ILE HA 1 62 GLY QA 0.000 . 5.000 2.344 1.908 2.620 . 0 0 "[ . 1 . 2 . ]" 2
101 1 44 ILE MD 1 62 GLY QA 0.000 . 2.500 1.887 1.780 2.078 . 0 0 "[ . 1 . 2 . ]" 2
102 1 44 ILE MG 1 62 GLY QA 0.000 . 3.000 3.012 2.772 3.051 0.051 10 0 "[ . 1 . 2 . ]" 2
103 1 44 ILE HA 1 63 ILE MD 0.000 . 5.000 4.104 3.689 5.018 0.018 19 0 "[ . 1 . 2 . ]" 2
104 1 45 HIS HA 1 45 HIS QB 0.000 . 2.500 2.536 2.528 2.539 0.039 9 0 "[ . 1 . 2 . ]" 2
105 1 45 HIS HA 1 45 HIS HD2 0.000 . 5.000 3.757 3.565 4.041 . 0 0 "[ . 1 . 2 . ]" 2
106 1 45 HIS HA 1 45 HIS HE1 0.000 . 5.000 4.834 4.656 4.976 . 0 0 "[ . 1 . 2 . ]" 2
107 1 45 HIS HA 1 61 GLN QB 0.000 . 5.000 4.626 4.015 5.017 0.017 5 0 "[ . 1 . 2 . ]" 2
108 1 45 HIS QB 1 61 GLN QB 0.000 . 3.000 2.324 1.694 2.689 . 0 0 "[ . 1 . 2 . ]" 2
109 1 45 HIS HA 1 122 LYS HA 0.000 . 5.000 4.413 4.158 4.598 . 0 0 "[ . 1 . 2 . ]" 2
110 1 45 HIS HA 1 122 LYS QB 0.000 . 2.500 1.951 1.848 2.156 . 0 0 "[ . 1 . 2 . ]" 2
111 1 45 HIS HA 1 122 LYS QG 0.000 . 5.000 3.706 2.722 3.885 . 0 0 "[ . 1 . 2 . ]" 2
112 1 45 HIS HD2 1 122 LYS QB 0.000 . 5.000 4.445 4.202 4.798 . 0 0 "[ . 1 . 2 . ]" 2
113 1 45 HIS HE1 1 122 LYS QB 0.000 . 5.000 3.958 3.328 4.431 . 0 0 "[ . 1 . 2 . ]" 2
114 1 45 HIS HE1 1 122 LYS QD 0.000 . 5.000 2.869 2.390 5.023 0.023 25 0 "[ . 1 . 2 . ]" 2
115 1 45 HIS HE1 1 122 LYS QE 0.000 . 5.000 4.662 3.767 5.007 0.007 28 0 "[ . 1 . 2 . ]" 2
116 1 45 HIS HE1 1 122 LYS QG 0.000 . 5.000 3.792 3.170 4.091 . 0 0 "[ . 1 . 2 . ]" 2
117 1 45 HIS HA 1 124 HIS HD2 0.000 . 5.000 2.899 2.664 3.173 . 0 0 "[ . 1 . 2 . ]" 2
118 1 45 HIS QB 1 124 HIS HD2 0.000 . 5.000 4.000 3.532 4.293 . 0 0 "[ . 1 . 2 . ]" 2
119 1 45 HIS HE1 1 124 HIS HD2 0.000 . 5.000 4.823 4.325 5.038 0.038 29 0 "[ . 1 . 2 . ]" 2
120 1 45 HIS HE1 1 124 HIS HE1 0.000 . 5.000 3.198 2.795 4.136 . 0 0 "[ . 1 . 2 . ]" 2
121 1 46 ILE HB 1 46 ILE MD 0.000 . 2.500 2.054 1.878 2.100 . 0 0 "[ . 1 . 2 . ]" 2
122 1 46 ILE HA 1 46 ILE MD 0.000 . 3.000 2.471 2.213 3.067 0.067 19 0 "[ . 1 . 2 . ]" 2
123 1 46 ILE HA 1 46 ILE MG 0.000 . 2.500 2.396 2.281 2.596 0.096 24 0 "[ . 1 . 2 . ]" 2
124 1 46 ILE QG 1 46 ILE MG 0.000 . 3.000 2.296 1.974 2.645 . 0 0 "[ . 1 . 2 . ]" 2
125 1 46 ILE HA 1 60 VAL HA 0.000 . 3.000 2.425 2.260 2.750 . 0 0 "[ . 1 . 2 . ]" 2
126 1 46 ILE HA 1 60 VAL QG 0.000 . 3.000 3.069 3.033 3.119 0.119 28 0 "[ . 1 . 2 . ]" 2
127 1 46 ILE MD 1 60 VAL HA 0.000 . 3.000 3.017 2.903 3.059 0.059 24 0 "[ . 1 . 2 . ]" 2
128 1 46 ILE QG 1 60 VAL HA 0.000 . 5.000 4.063 2.347 4.677 . 0 0 "[ . 1 . 2 . ]" 2
129 1 46 ILE MG 1 60 VAL HA 0.000 . 5.000 3.786 3.354 4.588 . 0 0 "[ . 1 . 2 . ]" 2
130 1 46 ILE MD 1 98 LEU QD 0.000 . 5.000 4.234 3.539 5.043 0.043 19 0 "[ . 1 . 2 . ]" 2
131 1 46 ILE MG 1 98 LEU QD 0.000 . 5.000 4.087 3.630 4.435 . 0 0 "[ . 1 . 2 . ]" 2
132 1 46 ILE MG 1 103 ARG HA 0.000 . 3.000 2.098 1.907 2.896 . 0 0 "[ . 1 . 2 . ]" 2
133 1 46 ILE MD 1 107 CYS HA 0.000 . 5.000 3.175 2.988 3.461 . 0 0 "[ . 1 . 2 . ]" 2
134 1 46 ILE MD 1 107 CYS QB 0.000 . 5.000 3.510 2.700 4.412 . 0 0 "[ . 1 . 2 . ]" 2
135 1 46 ILE HA 1 123 VAL HA 0.000 . 5.000 4.527 4.369 4.754 . 0 0 "[ . 1 . 2 . ]" 2
136 1 46 ILE HA 1 124 HIS HD2 0.000 . 5.000 5.000 4.659 5.066 0.066 11 0 "[ . 1 . 2 . ]" 2
137 1 47 ARG HA 1 47 ARG QD 0.000 . 5.000 3.178 2.037 4.114 . 0 0 "[ . 1 . 2 . ]" 2
138 1 47 ARG QB 1 59 THR HB 0.000 . 5.000 4.027 3.470 5.026 0.026 21 0 "[ . 1 . 2 . ]" 2
139 1 47 ARG HA 1 124 HIS QB 0.000 . 3.000 2.883 2.704 3.054 0.054 29 0 "[ . 1 . 2 . ]" 2
140 1 47 ARG HA 1 124 HIS HD2 0.000 . 5.000 4.767 4.302 5.011 0.011 26 0 "[ . 1 . 2 . ]" 2
141 1 47 ARG QB 1 124 HIS QB 0.000 . 5.000 3.322 2.260 4.032 . 0 0 "[ . 1 . 2 . ]" 2
142 1 48 ILE HA 1 48 ILE MD 0.000 . 3.000 2.629 2.460 2.984 . 0 0 "[ . 1 . 2 . ]" 2
143 1 48 ILE HB 1 48 ILE MD 0.000 . 2.500 1.999 1.956 2.020 . 0 0 "[ . 1 . 2 . ]" 2
144 1 48 ILE HA 1 48 ILE HB 0.000 . 3.000 2.966 2.708 3.016 0.016 19 0 "[ . 1 . 2 . ]" 2
145 1 48 ILE HA 1 48 ILE QG 0.000 . 2.500 2.251 2.170 2.373 . 0 0 "[ . 1 . 2 . ]" 2
146 1 48 ILE HB 1 48 ILE MD 0.000 . 2.500 2.443 2.291 2.520 0.020 11 0 "[ . 1 . 2 . ]" 2
147 1 48 ILE HB 1 48 ILE QG 0.000 . 2.500 2.352 2.310 2.399 . 0 0 "[ . 1 . 2 . ]" 2
148 1 48 ILE HB 1 48 ILE MG 0.000 . 2.500 2.123 2.105 2.126 . 0 0 "[ . 1 . 2 . ]" 2
149 1 48 ILE QG 1 48 ILE MG 0.000 . 2.500 2.351 2.263 2.419 . 0 0 "[ . 1 . 2 . ]" 2
150 1 48 ILE HA 1 49 GLN QB 0.000 . 5.000 4.249 4.144 4.594 . 0 0 "[ . 1 . 2 . ]" 2
151 1 48 ILE MG 1 49 GLN HA 0.000 . 5.000 3.102 2.823 3.403 . 0 0 "[ . 1 . 2 . ]" 2
152 1 48 ILE MD 1 50 GLN QB 0.000 . 3.000 2.859 2.485 3.001 0.001 4 0 "[ . 1 . 2 . ]" 2
153 1 48 ILE MD 1 50 GLN QG 0.000 . 5.000 3.636 3.379 4.289 . 0 0 "[ . 1 . 2 . ]" 2
154 1 48 ILE MD 1 50 GLN QB 0.000 . 5.000 4.678 3.722 5.001 0.001 17 0 "[ . 1 . 2 . ]" 2
155 1 48 ILE MD 1 50 GLN QG 0.000 . 5.000 5.021 4.718 5.092 0.092 28 0 "[ . 1 . 2 . ]" 2
156 1 48 ILE MG 1 50 GLN QB 0.000 . 3.000 2.890 2.497 3.050 0.050 23 0 "[ . 1 . 2 . ]" 2
157 1 48 ILE MG 1 50 GLN QG 0.000 . 5.000 3.759 3.433 4.815 . 0 0 "[ . 1 . 2 . ]" 2
158 1 48 ILE MD 1 56 THR HB 0.000 . 5.000 3.424 3.295 3.624 . 0 0 "[ . 1 . 2 . ]" 2
159 1 48 ILE MD 1 56 THR MG 0.000 . 5.000 1.669 1.609 1.795 . 0 0 "[ . 1 . 2 . ]" 2
160 1 48 ILE HA 1 56 THR MG 0.000 . 5.000 4.100 3.632 4.497 . 0 0 "[ . 1 . 2 . ]" 2
161 1 48 ILE HB 1 56 THR MG 0.000 . 5.000 3.922 3.802 4.311 . 0 0 "[ . 1 . 2 . ]" 2
162 1 48 ILE MD 1 56 THR MG 0.000 . 2.500 2.247 1.774 2.519 0.019 26 0 "[ . 1 . 2 . ]" 2
163 1 48 ILE MG 1 56 THR MG 0.000 . 2.500 1.792 1.643 2.590 0.090 18 0 "[ . 1 . 2 . ]" 2
164 1 48 ILE MD 1 58 THR HA 0.000 . 5.000 3.512 3.177 3.953 . 0 0 "[ . 1 . 2 . ]" 2
165 1 48 ILE HA 1 58 THR HB 0.000 . 5.000 4.880 4.494 5.015 0.015 3 0 "[ . 1 . 2 . ]" 2
166 1 48 ILE MD 1 58 THR HA 0.000 . 5.000 4.165 3.713 4.853 . 0 0 "[ . 1 . 2 . ]" 2
167 1 48 ILE MG 1 58 THR HA 0.000 . 5.000 3.820 3.344 4.572 . 0 0 "[ . 1 . 2 . ]" 2
168 1 48 ILE MD 1 101 ASP HA 0.000 . 2.500 1.862 1.771 2.095 . 0 0 "[ . 1 . 2 . ]" 2
169 1 48 ILE MD 1 101 ASP QB 0.000 . 3.000 2.104 1.741 2.324 . 0 0 "[ . 1 . 2 . ]" 2
170 1 48 ILE HB 1 101 ASP HA 0.000 . 5.000 4.916 4.526 5.032 0.032 7 0 "[ . 1 . 2 . ]" 2
171 1 48 ILE HB 1 101 ASP QB 0.000 . 5.000 4.989 4.596 5.042 0.042 22 0 "[ . 1 . 2 . ]" 2
172 1 48 ILE MD 1 101 ASP HA 0.000 . 2.500 1.874 1.773 2.135 . 0 0 "[ . 1 . 2 . ]" 2
173 1 48 ILE MD 1 101 ASP QB 0.000 . 3.000 2.127 1.751 2.367 . 0 0 "[ . 1 . 2 . ]" 2
174 1 48 ILE QG 1 101 ASP QB 0.000 . 5.000 3.841 3.303 4.178 . 0 0 "[ . 1 . 2 . ]" 2
175 1 48 ILE MG 1 101 ASP HA 0.000 . 5.000 3.393 2.924 4.470 . 0 0 "[ . 1 . 2 . ]" 2
176 1 48 ILE MG 1 101 ASP QB 0.000 . 5.000 3.450 3.007 4.118 . 0 0 "[ . 1 . 2 . ]" 2
177 1 48 ILE MD 1 102 GLN HA 0.000 . 5.000 4.550 4.311 5.036 0.036 8 0 "[ . 1 . 2 . ]" 2
178 1 48 ILE MD 1 125 GLY QA 0.000 . 3.000 2.800 1.973 2.986 . 0 0 "[ . 1 . 2 . ]" 2
179 1 48 ILE HB 1 125 GLY QA 0.000 . 5.000 2.560 1.766 3.192 . 0 0 "[ . 1 . 2 . ]" 2
180 1 48 ILE MD 1 125 GLY QA 0.000 . 3.000 2.925 2.273 3.073 0.073 23 0 "[ . 1 . 2 . ]" 2
181 1 48 ILE QG 1 125 GLY QA 0.000 . 5.000 3.095 1.996 3.930 . 0 0 "[ . 1 . 2 . ]" 2
182 1 48 ILE MG 1 125 GLY QA 0.000 . 5.000 3.860 2.000 4.436 . 0 0 "[ . 1 . 2 . ]" 2
183 1 48 ILE MD 1 126 PHE HA 0.000 . 5.000 4.519 2.880 4.918 . 0 0 "[ . 1 . 2 . ]" 2
184 1 48 ILE MD 1 126 PHE QB 0.000 . 5.000 2.712 1.742 2.991 . 0 0 "[ . 1 . 2 . ]" 2
185 1 48 ILE HB 1 126 PHE QB 0.000 . 5.000 2.989 1.925 4.991 . 0 0 "[ . 1 . 2 . ]" 2
186 1 48 ILE MD 1 126 PHE QB 0.000 . 5.000 4.390 2.777 5.020 0.020 18 0 "[ . 1 . 2 . ]" 2
187 1 48 ILE QG 1 126 PHE QB 0.000 . 5.000 4.661 3.745 5.050 0.050 18 0 "[ . 1 . 2 . ]" 2
188 1 48 ILE MG 1 126 PHE QB 0.000 . 3.000 2.752 1.755 3.025 0.025 11 0 "[ . 1 . 2 . ]" 2
189 1 49 GLN HA 1 56 THR MG 0.000 . 5.000 4.447 3.970 4.906 . 0 0 "[ . 1 . 2 . ]" 2
190 1 49 GLN HA 1 57 LEU QB 0.000 . 5.000 5.029 4.911 5.072 0.072 8 0 "[ . 1 . 2 . ]" 2
191 1 49 GLN QG 1 57 LEU HA 0.000 . 5.000 3.757 3.591 3.992 . 0 0 "[ . 1 . 2 . ]" 2
192 1 49 GLN QG 1 57 LEU QB 0.000 . 2.500 1.820 1.784 1.881 . 0 0 "[ . 1 . 2 . ]" 2
193 1 49 GLN QG 1 57 LEU QD 0.000 . 3.000 2.881 2.637 3.057 0.057 19 0 "[ . 1 . 2 . ]" 2
194 1 49 GLN QG 1 59 THR MG 0.000 . 5.000 4.137 3.159 4.458 . 0 0 "[ . 1 . 2 . ]" 2
195 1 49 GLN HA 1 126 PHE QB 0.000 . 5.000 3.715 2.958 5.133 0.133 23 0 "[ . 1 . 2 . ]" 2
196 1 50 GLN HA 1 51 ARG QB 0.000 . 5.000 4.311 4.011 4.709 . 0 0 "[ . 1 . 2 . ]" 2
197 1 50 GLN QB 1 53 GLY QA 0.000 . 5.000 3.108 2.254 4.533 . 0 0 "[ . 1 . 2 . ]" 2
198 1 50 GLN QB 1 54 ARG HA 0.000 . 5.000 4.877 4.492 4.999 . 0 0 "[ . 1 . 2 . ]" 2
199 1 50 GLN QG 1 54 ARG HA 0.000 . 3.000 3.002 2.600 3.084 0.084 6 0 "[ . 1 . 2 . ]" 2
200 1 50 GLN HA 1 56 THR HA 0.000 . 5.000 1.939 1.787 2.245 . 0 0 "[ . 1 . 2 . ]" 2
201 1 50 GLN HA 1 56 THR MG 0.000 . 5.000 2.993 2.685 3.242 . 0 0 "[ . 1 . 2 . ]" 2
202 1 50 GLN QB 1 56 THR HA 0.000 . 5.000 3.292 2.907 3.484 . 0 0 "[ . 1 . 2 . ]" 2
203 1 50 GLN QB 1 56 THR HB 0.000 . 5.000 4.951 4.543 5.045 0.045 13 0 "[ . 1 . 2 . ]" 2
204 1 50 GLN QB 1 56 THR MG 0.000 . 5.000 2.409 2.006 2.567 . 0 0 "[ . 1 . 2 . ]" 2
205 1 50 GLN QG 1 56 THR HA 0.000 . 3.000 2.203 2.062 3.001 0.001 18 0 "[ . 1 . 2 . ]" 2
206 1 50 GLN QG 1 56 THR MG 0.000 . 3.000 2.158 1.900 2.742 . 0 0 "[ . 1 . 2 . ]" 2
207 1 51 ARG HA 1 51 ARG QB 0.000 . 2.500 2.413 2.219 2.539 0.039 1 0 "[ . 1 . 2 . ]" 2
208 1 51 ARG QD 1 57 LEU QB 0.000 . 5.000 4.542 3.700 5.005 0.005 25 0 "[ . 1 . 2 . ]" 2
209 1 51 ARG QD 1 57 LEU QD 0.000 . 5.000 3.779 2.386 4.963 . 0 0 "[ . 1 . 2 . ]" 2
210 1 52 ASN HA 1 52 ASN QB 0.000 . 2.500 2.377 2.177 2.511 0.011 24 0 "[ . 1 . 2 . ]" 2
211 1 52 ASN HA 1 53 GLY QA 0.000 . 5.000 4.075 4.019 4.117 . 0 0 "[ . 1 . 2 . ]" 2
212 1 52 ASN QB 1 53 GLY QA 0.000 . 5.000 4.211 3.580 4.564 . 0 0 "[ . 1 . 2 . ]" 2
213 1 52 ASN QB 1 54 ARG QG 0.000 . 3.000 2.667 2.224 3.015 0.015 26 0 "[ . 1 . 2 . ]" 2
214 1 53 GLY QA 1 54 ARG QG 0.000 . 5.000 3.897 3.270 4.551 . 0 0 "[ . 1 . 2 . ]" 2
215 1 54 ARG HA 1 54 ARG QB 0.000 . 2.500 2.208 2.169 2.335 . 0 0 "[ . 1 . 2 . ]" 2
216 1 54 ARG HA 1 54 ARG QD 0.000 . 5.000 4.163 2.131 4.731 . 0 0 "[ . 1 . 2 . ]" 2
217 1 54 ARG QB 1 54 ARG QD 0.000 . 3.000 2.251 1.957 2.688 . 0 0 "[ . 1 . 2 . ]" 2
218 1 54 ARG HA 1 56 THR MG 0.000 . 5.000 4.972 4.591 5.072 0.072 9 0 "[ . 1 . 2 . ]" 2
219 1 55 LYS HA 1 55 LYS QD 0.000 . 2.500 2.157 1.939 2.510 0.010 25 0 "[ . 1 . 2 . ]" 2
220 1 55 LYS HA 1 55 LYS QE 0.000 . 5.000 2.647 1.955 3.677 . 0 0 "[ . 1 . 2 . ]" 2
221 1 55 LYS QD 1 55 LYS QE 0.000 . 2.500 2.049 1.976 2.088 . 0 0 "[ . 1 . 2 . ]" 2
222 1 55 LYS HA 1 56 THR HA 0.000 . 5.000 4.547 4.489 4.611 . 0 0 "[ . 1 . 2 . ]" 2
223 1 56 THR HA 1 56 THR HB 0.000 . 3.000 2.930 2.904 2.960 . 0 0 "[ . 1 . 2 . ]" 2
224 1 56 THR HA 1 56 THR MG 0.000 . 2.500 2.035 2.007 2.229 . 0 0 "[ . 1 . 2 . ]" 2
225 1 56 THR HB 1 56 THR MG 0.000 . 2.500 2.079 2.071 2.111 . 0 0 "[ . 1 . 2 . ]" 2
226 1 56 THR HA 1 57 LEU QB 0.000 . 5.000 3.808 3.689 3.937 . 0 0 "[ . 1 . 2 . ]" 2
227 1 56 THR HA 1 57 LEU HA 0.000 . 5.000 4.442 4.400 4.536 . 0 0 "[ . 1 . 2 . ]" 2
228 1 56 THR HA 1 57 LEU QD 0.000 . 5.000 4.426 3.576 4.908 . 0 0 "[ . 1 . 2 . ]" 2
229 1 56 THR HB 1 57 LEU QB 0.000 . 5.000 4.787 4.530 5.021 0.021 10 0 "[ . 1 . 2 . ]" 2
230 1 56 THR MG 1 57 LEU HA 0.000 . 5.000 4.457 4.211 4.704 . 0 0 "[ . 1 . 2 . ]" 2
231 1 56 THR MG 1 57 LEU QB 0.000 . 5.000 4.653 4.357 4.867 . 0 0 "[ . 1 . 2 . ]" 2
232 1 56 THR MG 1 58 THR HA 0.000 . 5.000 4.645 4.145 5.036 0.036 24 0 "[ . 1 . 2 . ]" 2
233 1 56 THR HB 1 100 GLY QA 0.000 . 2.500 2.015 1.891 2.328 . 0 0 "[ . 1 . 2 . ]" 2
234 1 56 THR MG 1 100 GLY QA 0.000 . 5.000 3.491 3.342 3.793 . 0 0 "[ . 1 . 2 . ]" 2
235 1 56 THR HB 1 101 ASP HA 0.000 . 5.000 3.481 3.180 3.769 . 0 0 "[ . 1 . 2 . ]" 2
236 1 56 THR HB 1 101 ASP QB 0.000 . 5.000 3.841 3.307 4.409 . 0 0 "[ . 1 . 2 . ]" 2
237 1 56 THR MG 1 101 ASP HA 0.000 . 3.000 2.451 2.251 2.658 . 0 0 "[ . 1 . 2 . ]" 2
238 1 56 THR MG 1 101 ASP QB 0.000 . 3.000 2.488 1.974 3.019 0.019 12 0 "[ . 1 . 2 . ]" 2
239 1 57 LEU HA 1 57 LEU QB 0.000 . 2.500 2.196 2.122 2.284 . 0 0 "[ . 1 . 2 . ]" 2
240 1 57 LEU HA 1 57 LEU QB 0.000 . 2.500 2.518 2.485 2.535 0.035 2 0 "[ . 1 . 2 . ]" 2
241 1 57 LEU HA 1 57 LEU QD 0.000 . 2.500 2.425 2.126 2.537 0.037 18 0 "[ . 1 . 2 . ]" 2
242 1 57 LEU HA 1 57 LEU HG 0.000 . 3.000 2.427 2.278 2.622 . 0 0 "[ . 1 . 2 . ]" 2
243 1 57 LEU QB 1 57 LEU QD 0.000 . 2.500 1.847 1.765 1.916 . 0 0 "[ . 1 . 2 . ]" 2
244 1 57 LEU QB 1 97 GLN QG 0.000 . 2.500 2.478 2.201 2.529 0.029 12 0 "[ . 1 . 2 . ]" 2
245 1 57 LEU QD 1 97 GLN QB 0.000 . 2.500 2.487 2.317 2.528 0.028 29 0 "[ . 1 . 2 . ]" 2
246 1 57 LEU QD 1 97 GLN QG 0.000 . 5.000 2.283 1.856 2.812 . 0 0 "[ . 1 . 2 . ]" 2
247 1 57 LEU HA 1 99 GLN HA 0.000 . 2.500 2.549 2.517 2.590 0.090 8 0 "[ . 1 . 2 . ]" 2
248 1 57 LEU QB 1 99 GLN HA 0.000 . 5.000 4.310 4.160 4.523 . 0 0 "[ . 1 . 2 . ]" 2
249 1 57 LEU QD 1 99 GLN HA 0.000 . 2.500 2.306 1.959 2.512 0.012 23 0 "[ . 1 . 2 . ]" 2
250 1 57 LEU QD 1 99 GLN QB 0.000 . 5.000 3.662 3.446 3.868 . 0 0 "[ . 1 . 2 . ]" 2
251 1 57 LEU QD 1 99 GLN QG 0.000 . 2.500 2.251 1.904 2.481 . 0 0 "[ . 1 . 2 . ]" 2
252 1 57 LEU HG 1 99 GLN HA 0.000 . 5.000 2.968 2.510 3.700 . 0 0 "[ . 1 . 2 . ]" 2
253 1 57 LEU HG 1 99 GLN QG 0.000 . 5.000 3.239 2.667 3.814 . 0 0 "[ . 1 . 2 . ]" 2
254 1 58 THR HA 1 58 THR HB 0.000 . 3.000 3.011 2.960 3.024 0.024 15 0 "[ . 1 . 2 . ]" 2
255 1 58 THR HA 1 58 THR MG 0.000 . 2.500 2.344 2.166 2.478 . 0 0 "[ . 1 . 2 . ]" 2
256 1 58 THR HB 1 58 THR MG 0.000 . 2.500 2.098 2.072 2.118 . 0 0 "[ . 1 . 2 . ]" 2
257 1 58 THR HA 1 98 LEU QB 0.000 . 5.000 4.516 4.245 5.005 0.005 2 0 "[ . 1 . 2 . ]" 2
258 1 58 THR HA 1 98 LEU QD 0.000 . 5.000 4.832 4.340 5.078 0.078 4 0 "[ . 1 . 2 . ]" 2
259 1 58 THR HB 1 98 LEU HA 0.000 . 5.000 4.947 4.690 5.036 0.036 22 0 "[ . 1 . 2 . ]" 2
260 1 58 THR HB 1 98 LEU QB 0.000 . 5.000 2.093 1.968 2.386 . 0 0 "[ . 1 . 2 . ]" 2
261 1 58 THR HB 1 98 LEU QD 0.000 . 3.000 2.568 1.979 3.006 0.006 4 0 "[ . 1 . 2 . ]" 2
262 1 58 THR HB 1 98 LEU HG 0.000 . 5.000 4.233 3.757 4.726 . 0 0 "[ . 1 . 2 . ]" 2
263 1 58 THR HB 1 102 GLN QB 0.000 . 5.000 2.332 2.046 2.901 . 0 0 "[ . 1 . 2 . ]" 2
264 1 58 THR HB 1 102 GLN QG 0.000 . 5.000 3.996 2.788 4.611 . 0 0 "[ . 1 . 2 . ]" 2
265 1 58 THR MG 1 102 GLN QB 0.000 . 5.000 2.664 2.030 2.933 . 0 0 "[ . 1 . 2 . ]" 2
266 1 59 THR HA 1 59 THR HB 0.000 . 3.000 2.739 2.704 2.768 . 0 0 "[ . 1 . 2 . ]" 2
267 1 59 THR HA 1 59 THR MG 0.000 . 2.500 2.099 2.001 2.241 . 0 0 "[ . 1 . 2 . ]" 2
268 1 59 THR HB 1 59 THR MG 0.000 . 2.500 2.085 2.069 2.116 . 0 0 "[ . 1 . 2 . ]" 2
269 1 59 THR HA 1 60 VAL QG 0.000 . 5.000 3.386 3.158 3.613 . 0 0 "[ . 1 . 2 . ]" 2
270 1 59 THR HB 1 60 VAL QG 0.000 . 5.000 4.444 4.322 4.778 . 0 0 "[ . 1 . 2 . ]" 2
271 1 59 THR HB 1 61 GLN QG 0.000 . 5.000 4.007 3.101 5.037 0.037 17 0 "[ . 1 . 2 . ]" 2
272 1 59 THR MG 1 89 HIS HD2 0.000 . 5.000 4.182 3.459 4.661 . 0 0 "[ . 1 . 2 . ]" 2
273 1 59 THR HB 1 92 TYR QD 0.000 . 5.000 4.094 3.384 4.783 . 0 0 "[ . 1 . 2 . ]" 2
274 1 59 THR HB 1 92 TYR QE 0.000 . 5.000 3.768 2.706 4.551 . 0 0 "[ . 1 . 2 . ]" 2
275 1 59 THR MG 1 92 TYR QD 0.000 . 5.000 3.864 3.170 4.456 . 0 0 "[ . 1 . 2 . ]" 2
276 1 59 THR MG 1 92 TYR QE 0.000 . 5.000 3.349 2.294 4.002 . 0 0 "[ . 1 . 2 . ]" 2
277 1 59 THR HA 1 95 VAL HB 0.000 . 5.000 4.304 3.788 4.601 . 0 0 "[ . 1 . 2 . ]" 2
278 1 59 THR HA 1 95 VAL QG 0.000 . 5.000 4.207 3.729 4.497 . 0 0 "[ . 1 . 2 . ]" 2
279 1 59 THR HB 1 95 VAL HB 0.000 . 3.000 3.014 2.935 3.054 0.054 10 0 "[ . 1 . 2 . ]" 2
280 1 59 THR HB 1 95 VAL QG 0.000 . 3.000 2.931 2.555 3.022 0.022 16 0 "[ . 1 . 2 . ]" 2
281 1 59 THR MG 1 95 VAL HA 0.000 . 5.000 4.879 4.691 5.015 0.015 2 0 "[ . 1 . 2 . ]" 2
282 1 59 THR MG 1 95 VAL HB 0.000 . 5.000 3.012 2.730 3.168 . 0 0 "[ . 1 . 2 . ]" 2
283 1 59 THR MG 1 95 VAL QG 0.000 . 5.000 2.088 1.946 2.366 . 0 0 "[ . 1 . 2 . ]" 2
284 1 59 THR HA 1 97 GLN HA 0.000 . 2.500 2.350 1.947 2.501 0.001 26 0 "[ . 1 . 2 . ]" 2
285 1 59 THR HA 1 97 GLN QB 0.000 . 5.000 4.425 3.605 4.587 . 0 0 "[ . 1 . 2 . ]" 2
286 1 59 THR HA 1 97 GLN QG 0.000 . 5.000 3.445 2.829 3.702 . 0 0 "[ . 1 . 2 . ]" 2
287 1 59 THR HB 1 97 GLN HA 0.000 . 5.000 4.504 4.283 4.731 . 0 0 "[ . 1 . 2 . ]" 2
288 1 59 THR MG 1 97 GLN HA 0.000 . 2.500 2.129 1.904 2.505 0.005 17 0 "[ . 1 . 2 . ]" 2
289 1 59 THR MG 1 97 GLN QB 0.000 . 5.000 3.099 2.080 3.380 . 0 0 "[ . 1 . 2 . ]" 2
290 1 59 THR MG 1 97 GLN QG 0.000 . 2.500 1.777 1.742 1.834 . 0 0 "[ . 1 . 2 . ]" 2
291 1 59 THR HA 1 98 LEU QD 0.000 . 5.000 4.250 4.013 4.537 . 0 0 "[ . 1 . 2 . ]" 2
292 1 60 VAL HA 1 60 VAL HB 0.000 . 3.000 3.016 2.964 3.024 0.024 29 0 "[ . 1 . 2 . ]" 2
293 1 60 VAL HA 1 60 VAL QG 0.000 . 2.500 2.081 1.940 2.122 . 0 0 "[ . 1 . 2 . ]" 2
294 1 60 VAL HB 1 63 ILE MG 0.000 . 5.000 4.864 4.565 5.037 0.037 29 0 "[ . 1 . 2 . ]" 2
295 1 60 VAL QG 1 67 TYR QE 0.000 . 5.000 5.079 5.032 5.109 0.109 9 0 "[ . 1 . 2 . ]" 2
296 1 60 VAL HB 1 96 ILE HB 0.000 . 5.000 2.343 1.962 2.779 . 0 0 "[ . 1 . 2 . ]" 2
297 1 60 VAL QG 1 96 ILE HB 0.000 . 5.000 2.794 2.064 3.302 . 0 0 "[ . 1 . 2 . ]" 2
298 1 60 VAL QG 1 97 GLN HA 0.000 . 5.000 4.563 3.939 4.843 . 0 0 "[ . 1 . 2 . ]" 2
299 1 60 VAL QG 1 110 LEU HG 0.000 . 5.000 3.647 3.425 3.963 . 0 0 "[ . 1 . 2 . ]" 2
300 1 61 GLN HA 1 61 GLN QB 0.000 . 2.500 2.319 2.161 2.533 0.033 21 0 "[ . 1 . 2 . ]" 2
301 1 61 GLN QG 1 62 GLY QA 0.000 . 5.000 4.685 3.763 5.116 0.116 20 0 "[ . 1 . 2 . ]" 2
302 1 61 GLN QG 1 92 TYR QB 0.000 . 5.000 2.835 1.886 4.104 . 0 0 "[ . 1 . 2 . ]" 2
303 1 61 GLN QG 1 92 TYR QD 0.000 . 5.000 3.289 2.597 3.932 . 0 0 "[ . 1 . 2 . ]" 2
304 1 61 GLN HA 1 95 VAL QG 0.000 . 5.000 1.957 1.821 2.268 . 0 0 "[ . 1 . 2 . ]" 2
305 1 61 GLN QB 1 95 VAL QG 0.000 . 5.000 2.380 1.877 3.425 . 0 0 "[ . 1 . 2 . ]" 2
306 1 61 GLN QG 1 95 VAL QG 0.000 . 3.000 2.008 1.670 2.509 . 0 0 "[ . 1 . 2 . ]" 2
307 1 63 ILE HA 1 63 ILE HB 0.000 . 3.000 3.011 2.984 3.019 0.019 4 0 "[ . 1 . 2 . ]" 2
308 1 63 ILE HA 1 63 ILE MD 0.000 . 2.500 1.897 1.814 2.100 . 0 0 "[ . 1 . 2 . ]" 2
309 1 63 ILE HA 1 63 ILE QG 0.000 . 3.000 2.959 2.566 3.027 0.027 6 0 "[ . 1 . 2 . ]" 2
310 1 63 ILE HA 1 63 ILE MG 0.000 . 3.000 2.470 2.379 2.627 . 0 0 "[ . 1 . 2 . ]" 2
311 1 63 ILE HA 1 64 ALA MB 0.000 . 5.000 3.923 3.889 3.969 . 0 0 "[ . 1 . 2 . ]" 2
312 1 63 ILE MG 1 64 ALA HA 0.000 . 5.000 3.810 3.570 3.901 . 0 0 "[ . 1 . 2 . ]" 2
313 1 63 ILE MG 1 64 ALA MB 0.000 . 5.000 3.385 3.196 3.587 . 0 0 "[ . 1 . 2 . ]" 2
314 1 63 ILE MG 1 65 ASP HA 0.000 . 5.000 4.039 3.871 4.249 . 0 0 "[ . 1 . 2 . ]" 2
315 1 63 ILE QG 1 67 TYR HA 0.000 . 5.000 4.786 4.263 5.005 0.005 24 0 "[ . 1 . 2 . ]" 2
316 1 63 ILE QG 1 67 TYR QB 0.000 . 3.000 2.760 2.082 3.021 0.021 12 0 "[ . 1 . 2 . ]" 2
317 1 63 ILE MD 1 67 TYR QB 0.000 . 5.000 4.997 4.261 5.092 0.092 12 0 "[ . 1 . 2 . ]" 2
318 1 63 ILE MD 1 67 TYR QD 0.000 . 5.000 3.544 2.496 3.827 . 0 0 "[ . 1 . 2 . ]" 2
319 1 63 ILE QG 1 67 TYR QE 0.000 . 5.000 3.191 1.935 3.832 . 0 0 "[ . 1 . 2 . ]" 2
320 1 63 ILE MG 1 67 TYR QB 0.000 . 5.000 2.776 2.092 3.041 . 0 0 "[ . 1 . 2 . ]" 2
321 1 63 ILE MG 1 67 TYR QD 0.000 . 2.500 2.014 1.875 2.240 . 0 0 "[ . 1 . 2 . ]" 2
322 1 63 ILE MG 1 67 TYR QE 0.000 . 5.000 2.567 2.320 3.260 . 0 0 "[ . 1 . 2 . ]" 2
323 1 63 ILE MG 1 110 LEU HG 0.000 . 5.000 4.842 4.611 5.063 0.063 11 0 "[ . 1 . 2 . ]" 2
324 1 63 ILE HA 1 115 LEU QD 0.000 . 5.000 4.774 4.106 4.949 . 0 0 "[ . 1 . 2 . ]" 2
325 1 63 ILE HB 1 115 LEU QD 0.000 . 5.000 4.427 3.818 4.660 . 0 0 "[ . 1 . 2 . ]" 2
326 1 63 ILE MD 1 115 LEU QD 0.000 . 5.000 3.145 2.242 3.332 . 0 0 "[ . 1 . 2 . ]" 2
327 1 63 ILE MD 1 115 LEU HG 0.000 . 5.000 2.814 1.846 3.281 . 0 0 "[ . 1 . 2 . ]" 2
328 1 63 ILE QG 1 115 LEU QD 0.000 . 3.000 2.664 1.829 3.017 0.017 19 0 "[ . 1 . 2 . ]" 2
329 1 63 ILE MG 1 115 LEU QD 0.000 . 2.500 2.505 2.360 2.577 0.077 11 0 "[ . 1 . 2 . ]" 2
330 1 63 ILE MD 1 116 ALA HA 0.000 . 5.000 3.115 2.950 4.194 . 0 0 "[ . 1 . 2 . ]" 2
331 1 63 ILE MD 1 116 ALA MB 0.000 . 3.000 2.197 1.966 2.538 . 0 0 "[ . 1 . 2 . ]" 2
332 1 63 ILE QG 1 116 ALA HA 0.000 . 5.000 5.066 5.029 5.103 0.103 24 0 "[ . 1 . 2 . ]" 2
333 1 63 ILE QG 1 116 ALA MB 0.000 . 5.000 3.740 3.578 4.003 . 0 0 "[ . 1 . 2 . ]" 2
334 1 64 ALA MB 1 65 ASP HA 0.000 . 5.000 4.411 4.177 4.513 . 0 0 "[ . 1 . 2 . ]" 2
335 1 64 ALA MB 1 66 ASP QB 0.000 . 5.000 2.857 2.404 3.346 . 0 0 "[ . 1 . 2 . ]" 2
336 1 64 ALA HA 1 67 TYR QD 0.000 . 5.000 5.022 4.955 5.059 0.059 5 0 "[ . 1 . 2 . ]" 2
337 1 64 ALA MB 1 67 TYR HA 0.000 . 5.000 4.418 4.040 4.735 . 0 0 "[ . 1 . 2 . ]" 2
338 1 64 ALA MB 1 67 TYR QB 0.000 . 5.000 4.051 3.740 4.219 . 0 0 "[ . 1 . 2 . ]" 2
339 1 64 ALA MB 1 67 TYR QD 0.000 . 3.000 2.510 2.262 2.819 . 0 0 "[ . 1 . 2 . ]" 2
340 1 64 ALA MB 1 67 TYR QE 0.000 . 3.000 2.270 1.968 2.716 . 0 0 "[ . 1 . 2 . ]" 2
341 1 64 ALA MB 1 115 LEU QD 0.000 . 5.000 4.988 4.725 5.047 0.047 12 0 "[ . 1 . 2 . ]" 2
342 1 65 ASP HA 1 65 ASP QB 0.000 . 2.500 2.355 2.177 2.512 0.012 3 0 "[ . 1 . 2 . ]" 2
343 1 65 ASP QB 1 66 ASP QB 0.000 . 5.000 4.567 4.003 5.030 0.030 23 0 "[ . 1 . 2 . ]" 2
344 1 66 ASP QB 1 67 TYR QD 0.000 . 5.000 3.266 2.763 3.829 . 0 0 "[ . 1 . 2 . ]" 2
345 1 66 ASP QB 1 67 TYR QE 0.000 . 5.000 4.365 3.808 4.993 . 0 0 "[ . 1 . 2 . ]" 2
346 1 67 TYR HA 1 67 TYR QB 0.000 . 2.500 2.442 2.390 2.489 . 0 0 "[ . 1 . 2 . ]" 2
347 1 67 TYR HA 1 67 TYR QD 0.000 . 3.000 2.221 2.053 2.430 . 0 0 "[ . 1 . 2 . ]" 2
348 1 67 TYR HA 1 67 TYR QE 0.000 . 5.000 4.332 4.200 4.474 . 0 0 "[ . 1 . 2 . ]" 2
349 1 67 TYR QB 1 67 TYR QD 0.000 . 2.500 2.286 2.241 2.310 . 0 0 "[ . 1 . 2 . ]" 2
350 1 67 TYR HA 1 72 LEU QD 0.000 . 5.000 4.179 3.173 4.997 . 0 0 "[ . 1 . 2 . ]" 2
351 1 67 TYR QB 1 72 LEU QD 0.000 . 3.000 2.019 1.584 2.554 . 0 0 "[ . 1 . 2 . ]" 2
352 1 67 TYR QD 1 72 LEU QB 0.000 . 5.000 4.528 4.370 4.790 . 0 0 "[ . 1 . 2 . ]" 2
353 1 67 TYR QD 1 72 LEU QD 0.000 . 5.000 2.496 1.829 3.227 . 0 0 "[ . 1 . 2 . ]" 2
354 1 67 TYR QD 1 72 LEU HG 0.000 . 5.000 2.978 2.700 3.344 . 0 0 "[ . 1 . 2 . ]" 2
355 1 67 TYR QE 1 72 LEU QD 0.000 . 5.000 4.141 3.506 4.556 . 0 0 "[ . 1 . 2 . ]" 2
356 1 67 TYR QE 1 72 LEU HG 0.000 . 5.000 5.043 4.959 5.130 0.130 24 0 "[ . 1 . 2 . ]" 2
357 1 67 TYR QD 1 113 ILE MD 0.000 . 5.000 4.379 4.075 4.732 . 0 0 "[ . 1 . 2 . ]" 2
358 1 67 TYR QE 1 113 ILE MD 0.000 . 5.000 5.049 5.018 5.084 0.084 6 0 "[ . 1 . 2 . ]" 2
359 1 67 TYR HA 1 115 LEU QD 0.000 . 5.000 3.957 3.580 4.199 . 0 0 "[ . 1 . 2 . ]" 2
360 1 67 TYR QB 1 115 LEU QD 0.000 . 3.000 2.466 2.221 2.803 . 0 0 "[ . 1 . 2 . ]" 2
361 1 67 TYR QD 1 115 LEU HA 0.000 . 5.000 4.123 3.876 5.027 0.027 10 0 "[ . 1 . 2 . ]" 2
362 1 67 TYR QD 1 115 LEU QD 0.000 . 3.000 1.949 1.822 2.171 . 0 0 "[ . 1 . 2 . ]" 2
363 1 67 TYR QD 1 115 LEU HG 0.000 . 5.000 2.102 1.927 3.059 . 0 0 "[ . 1 . 2 . ]" 2
364 1 67 TYR QE 1 115 LEU HA 0.000 . 5.000 3.417 3.076 4.129 . 0 0 "[ . 1 . 2 . ]" 2
365 1 67 TYR QE 1 115 LEU QB 0.000 . 5.000 3.446 3.224 3.780 . 0 0 "[ . 1 . 2 . ]" 2
366 1 67 TYR QE 1 115 LEU QD 0.000 . 5.000 2.701 2.316 2.830 . 0 0 "[ . 1 . 2 . ]" 2
367 1 67 TYR QE 1 115 LEU HG 0.000 . 5.000 1.869 1.696 1.952 . 0 0 "[ . 1 . 2 . ]" 2
368 1 68 ASP HA 1 71 LYS QB 0.000 . 5.000 4.469 3.951 5.008 0.008 9 0 "[ . 1 . 2 . ]" 2
369 1 68 ASP QB 1 71 LYS QB 0.000 . 5.000 2.051 1.673 2.389 . 0 0 "[ . 1 . 2 . ]" 2
370 1 69 LYS HA 1 69 LYS QG 0.000 . 3.000 2.325 2.002 2.555 . 0 0 "[ . 1 . 2 . ]" 2
371 1 69 LYS HA 1 72 LEU QB 0.000 . 3.000 2.597 1.914 3.016 0.016 15 0 "[ . 1 . 2 . ]" 2
372 1 69 LYS HA 1 72 LEU QD 0.000 . 5.000 2.643 1.938 3.802 . 0 0 "[ . 1 . 2 . ]" 2
373 1 69 LYS HA 1 72 LEU HG 0.000 . 5.000 4.654 3.169 5.025 0.025 25 0 "[ . 1 . 2 . ]" 2
374 1 69 LYS HA 1 73 VAL QG 0.000 . 5.000 4.188 3.255 4.721 . 0 0 "[ . 1 . 2 . ]" 2
375 1 70 LYS HA 1 70 LYS QB 0.000 . 2.500 2.377 2.179 2.535 0.035 25 0 "[ . 1 . 2 . ]" 2
376 1 70 LYS HA 1 73 VAL QG 0.000 . 5.000 3.302 2.521 3.978 . 0 0 "[ . 1 . 2 . ]" 2
377 1 70 LYS QB 1 73 VAL QG 0.000 . 5.000 4.735 4.022 5.030 0.030 17 0 "[ . 1 . 2 . ]" 2
378 1 72 LEU HA 1 72 LEU QB 0.000 . 2.500 2.451 2.370 2.521 0.021 10 0 "[ . 1 . 2 . ]" 2
379 1 72 LEU HA 1 72 LEU QD 0.000 . 2.500 2.168 1.871 2.528 0.028 16 0 "[ . 1 . 2 . ]" 2
380 1 72 LEU QB 1 72 LEU QD 0.000 . 2.500 1.922 1.845 1.983 . 0 0 "[ . 1 . 2 . ]" 2
381 1 72 LEU QD 1 75 ALA MB 0.000 . 5.000 4.209 3.621 4.649 . 0 0 "[ . 1 . 2 . ]" 2
382 1 72 LEU HA 1 115 LEU QD 0.000 . 5.000 2.941 2.616 3.384 . 0 0 "[ . 1 . 2 . ]" 2
383 1 72 LEU QB 1 115 LEU QD 0.000 . 5.000 3.189 2.605 3.768 . 0 0 "[ . 1 . 2 . ]" 2
384 1 72 LEU QD 1 115 LEU QD 0.000 . 2.500 1.701 1.422 1.964 . 0 0 "[ . 1 . 2 . ]" 2
385 1 72 LEU HG 1 115 LEU QD 0.000 . 3.000 1.950 1.674 3.013 0.013 10 0 "[ . 1 . 2 . ]" 2
386 1 73 VAL HA 1 73 VAL HB 0.000 . 3.000 2.582 2.477 2.996 . 0 0 "[ . 1 . 2 . ]" 2
387 1 73 VAL HA 1 73 VAL QG 0.000 . 2.500 2.164 2.050 2.253 . 0 0 "[ . 1 . 2 . ]" 2
388 1 73 VAL HA 1 76 PHE HA 0.000 . 5.000 5.023 4.772 5.076 0.076 17 0 "[ . 1 . 2 . ]" 2
389 1 73 VAL HA 1 76 PHE QB 0.000 . 2.500 2.452 2.229 2.534 0.034 9 0 "[ . 1 . 2 . ]" 2
390 1 73 VAL HA 1 76 PHE QD 0.000 . 5.000 4.271 4.119 4.394 . 0 0 "[ . 1 . 2 . ]" 2
391 1 73 VAL QG 1 76 PHE QB 0.000 . 5.000 3.115 2.504 3.686 . 0 0 "[ . 1 . 2 . ]" 2
392 1 73 VAL QG 1 76 PHE QD 0.000 . 5.000 4.272 3.882 4.715 . 0 0 "[ . 1 . 2 . ]" 2
393 1 73 VAL QG 1 84 GLY QA 0.000 . 5.000 1.904 1.770 2.259 . 0 0 "[ . 1 . 2 . ]" 2
394 1 73 VAL QG 1 85 THR HA 0.000 . 5.000 2.857 2.171 3.238 . 0 0 "[ . 1 . 2 . ]" 2
395 1 73 VAL QG 1 85 THR HB 0.000 . 5.000 4.635 4.062 5.005 0.005 2 0 "[ . 1 . 2 . ]" 2
396 1 73 VAL QG 1 85 THR MG 0.000 . 5.000 3.855 3.508 4.218 . 0 0 "[ . 1 . 2 . ]" 2
397 1 73 VAL HA 1 96 ILE MG 0.000 . 5.000 3.896 3.675 4.323 . 0 0 "[ . 1 . 2 . ]" 2
398 1 73 VAL QG 1 96 ILE HA 0.000 . 5.000 4.385 3.885 4.813 . 0 0 "[ . 1 . 2 . ]" 2
399 1 73 VAL QG 1 96 ILE HB 0.000 . 5.000 4.613 3.846 5.025 0.025 16 0 "[ . 1 . 2 . ]" 2
400 1 73 VAL QG 1 96 ILE MD 0.000 . 5.000 2.062 1.575 2.902 . 0 0 "[ . 1 . 2 . ]" 2
401 1 73 VAL QG 1 96 ILE MG 0.000 . 5.000 2.485 1.948 2.888 . 0 0 "[ . 1 . 2 . ]" 2
402 1 73 VAL HA 1 98 LEU QD 0.000 . 5.000 3.437 3.038 3.772 . 0 0 "[ . 1 . 2 . ]" 2
403 1 73 VAL QG 1 98 LEU HA 0.000 . 5.000 4.096 3.800 4.383 . 0 0 "[ . 1 . 2 . ]" 2
404 1 73 VAL QG 1 98 LEU QB 0.000 . 5.000 4.809 4.423 5.039 0.039 28 0 "[ . 1 . 2 . ]" 2
405 1 73 VAL QG 1 98 LEU QD 0.000 . 2.500 2.450 2.019 2.563 0.063 14 0 "[ . 1 . 2 . ]" 2
406 1 75 ALA HA 1 75 ALA MB 0.000 . 2.500 2.116 2.087 2.132 . 0 0 "[ . 1 . 2 . ]" 2
407 1 75 ALA MB 1 76 PHE HA 0.000 . 5.000 3.825 3.724 3.890 . 0 0 "[ . 1 . 2 . ]" 2
408 1 75 ALA MB 1 76 PHE QB 0.000 . 5.000 4.021 3.909 4.156 . 0 0 "[ . 1 . 2 . ]" 2
409 1 75 ALA MB 1 76 PHE QD 0.000 . 5.000 4.863 4.702 4.996 . 0 0 "[ . 1 . 2 . ]" 2
410 1 75 ALA HA 1 78 LYS QB 0.000 . 5.000 2.555 2.300 2.773 . 0 0 "[ . 1 . 2 . ]" 2
411 1 75 ALA MB 1 109 PHE QD 0.000 . 5.000 4.365 4.043 4.719 . 0 0 "[ . 1 . 2 . ]" 2
412 1 75 ALA MB 1 109 PHE QE 0.000 . 3.000 2.408 1.947 2.893 . 0 0 "[ . 1 . 2 . ]" 2
413 1 75 ALA MB 1 109 PHE HZ 0.000 . 2.500 1.917 1.802 2.130 . 0 0 "[ . 1 . 2 . ]" 2
414 1 75 ALA MB 1 113 ILE MD 0.000 . 3.000 2.846 2.563 3.028 0.028 29 0 "[ . 1 . 2 . ]" 2
415 1 75 ALA MB 1 113 ILE MD 0.000 . 5.000 3.527 3.272 3.897 . 0 0 "[ . 1 . 2 . ]" 2
416 1 75 ALA MB 1 113 ILE MG 0.000 . 5.000 3.009 2.667 3.275 . 0 0 "[ . 1 . 2 . ]" 2
417 1 76 PHE HA 1 76 PHE QB 0.000 . 2.500 2.461 2.443 2.477 . 0 0 "[ . 1 . 2 . ]" 2
418 1 76 PHE HA 1 76 PHE QE 0.000 . 5.000 4.456 4.307 4.522 . 0 0 "[ . 1 . 2 . ]" 2
419 1 76 PHE QB 1 76 PHE QD 0.000 . 2.500 2.125 2.121 2.129 . 0 0 "[ . 1 . 2 . ]" 2
420 1 76 PHE QD 1 77 LYS HA 0.000 . 5.000 3.705 3.435 4.061 . 0 0 "[ . 1 . 2 . ]" 2
421 1 76 PHE QD 1 77 LYS QG 0.000 . 5.000 3.511 3.091 3.791 . 0 0 "[ . 1 . 2 . ]" 2
422 1 76 PHE HA 1 79 LYS QB 0.000 . 3.000 2.952 2.823 3.030 0.030 19 0 "[ . 1 . 2 . ]" 2
423 1 76 PHE HA 1 79 LYS QG 0.000 . 5.000 4.960 4.794 5.017 0.017 27 0 "[ . 1 . 2 . ]" 2
424 1 76 PHE HA 1 80 PHE QD 0.000 . 3.000 2.593 2.163 3.013 0.013 6 0 "[ . 1 . 2 . ]" 2
425 1 76 PHE HA 1 80 PHE QE 0.000 . 5.000 2.622 2.576 2.694 . 0 0 "[ . 1 . 2 . ]" 2
426 1 76 PHE HA 1 80 PHE HZ 0.000 . 5.000 5.029 4.999 5.090 0.090 24 0 "[ . 1 . 2 . ]" 2
427 1 76 PHE QB 1 80 PHE QD 0.000 . 5.000 3.742 3.508 4.128 . 0 0 "[ . 1 . 2 . ]" 2
428 1 76 PHE QB 1 80 PHE QE 0.000 . 5.000 3.994 3.918 4.172 . 0 0 "[ . 1 . 2 . ]" 2
429 1 76 PHE QD 1 80 PHE QB 0.000 . 5.000 3.606 3.110 4.346 . 0 0 "[ . 1 . 2 . ]" 2
430 1 76 PHE QD 1 80 PHE QE 0.000 . 5.000 2.576 2.328 2.736 . 0 0 "[ . 1 . 2 . ]" 2
431 1 76 PHE QD 1 80 PHE HZ 0.000 . 5.000 4.426 4.205 4.555 . 0 0 "[ . 1 . 2 . ]" 2
432 1 76 PHE QE 1 80 PHE QB 0.000 . 5.000 3.279 2.817 3.883 . 0 0 "[ . 1 . 2 . ]" 2
433 1 76 PHE QE 1 80 PHE QD 0.000 . 5.000 3.520 3.338 3.711 . 0 0 "[ . 1 . 2 . ]" 2
434 1 76 PHE QE 1 80 PHE QE 0.000 . 5.000 3.041 2.809 3.202 . 0 0 "[ . 1 . 2 . ]" 2
435 1 76 PHE QE 1 80 PHE HZ 0.000 . 5.000 3.697 3.278 3.888 . 0 0 "[ . 1 . 2 . ]" 2
436 1 76 PHE HZ 1 80 PHE QD 0.000 . 5.000 4.110 3.914 4.296 . 0 0 "[ . 1 . 2 . ]" 2
437 1 76 PHE HZ 1 80 PHE HZ 0.000 . 5.000 4.944 4.677 5.035 0.035 28 0 "[ . 1 . 2 . ]" 2
438 1 76 PHE QD 1 82 CYS HA 0.000 . 5.000 4.934 4.425 5.052 0.052 29 0 "[ . 1 . 2 . ]" 2
439 1 76 PHE QD 1 82 CYS QB 0.000 . 5.000 2.307 2.049 2.625 . 0 0 "[ . 1 . 2 . ]" 2
440 1 76 PHE QE 1 82 CYS QB 0.000 . 3.000 2.231 1.896 2.550 . 0 0 "[ . 1 . 2 . ]" 2
441 1 76 PHE QD 1 96 ILE MG 0.000 . 5.000 5.008 4.887 5.077 0.077 28 0 "[ . 1 . 2 . ]" 2
442 1 76 PHE QD 1 98 LEU HA 0.000 . 5.000 5.027 4.976 5.063 0.063 4 0 "[ . 1 . 2 . ]" 2
443 1 76 PHE QD 1 98 LEU QB 0.000 . 5.000 4.076 3.579 4.748 . 0 0 "[ . 1 . 2 . ]" 2
444 1 76 PHE QD 1 98 LEU QD 0.000 . 5.000 2.533 2.221 2.899 . 0 0 "[ . 1 . 2 . ]" 2
445 1 76 PHE QE 1 98 LEU QB 0.000 . 5.000 3.191 2.857 3.891 . 0 0 "[ . 1 . 2 . ]" 2
446 1 76 PHE QE 1 98 LEU QD 0.000 . 5.000 2.440 2.309 2.706 . 0 0 "[ . 1 . 2 . ]" 2
447 1 76 PHE HZ 1 98 LEU QB 0.000 . 5.000 3.978 3.655 4.598 . 0 0 "[ . 1 . 2 . ]" 2
448 1 76 PHE HZ 1 98 LEU QD 0.000 . 5.000 2.487 2.249 2.795 . 0 0 "[ . 1 . 2 . ]" 2
449 1 76 PHE QE 1 102 GLN QG 0.000 . 5.000 1.905 1.756 2.292 . 0 0 "[ . 1 . 2 . ]" 2
450 1 76 PHE HZ 1 102 GLN HA 0.000 . 5.000 4.190 3.732 4.453 . 0 0 "[ . 1 . 2 . ]" 2
451 1 76 PHE HZ 1 102 GLN QB 0.000 . 5.000 2.386 1.955 2.702 . 0 0 "[ . 1 . 2 . ]" 2
452 1 76 PHE HZ 1 102 GLN QG 0.000 . 5.000 2.030 1.857 3.068 . 0 0 "[ . 1 . 2 . ]" 2
453 1 76 PHE QD 1 105 ASN QB 0.000 . 5.000 4.956 4.754 5.036 0.036 16 0 "[ . 1 . 2 . ]" 2
454 1 76 PHE QE 1 105 ASN QB 0.000 . 5.000 3.354 3.096 3.460 . 0 0 "[ . 1 . 2 . ]" 2
455 1 76 PHE HZ 1 105 ASN QB 0.000 . 5.000 2.471 2.069 2.597 . 0 0 "[ . 1 . 2 . ]" 2
456 1 76 PHE QD 1 106 ILE HA 0.000 . 5.000 4.028 3.891 4.112 . 0 0 "[ . 1 . 2 . ]" 2
457 1 76 PHE QD 1 106 ILE MD 0.000 . 3.000 3.030 2.886 3.061 0.061 7 0 "[ . 1 . 2 . ]" 2
458 1 76 PHE QE 1 106 ILE HA 0.000 . 5.000 1.872 1.770 1.969 . 0 0 "[ . 1 . 2 . ]" 2
459 1 76 PHE QE 1 106 ILE MD 0.000 . 5.000 2.120 1.915 2.477 . 0 0 "[ . 1 . 2 . ]" 2
460 1 76 PHE QE 1 106 ILE MG 0.000 . 5.000 4.475 4.413 4.568 . 0 0 "[ . 1 . 2 . ]" 2
461 1 76 PHE HZ 1 106 ILE HA 0.000 . 5.000 3.191 2.607 3.537 . 0 0 "[ . 1 . 2 . ]" 2
462 1 76 PHE HZ 1 106 ILE MD 0.000 . 5.000 3.396 3.099 3.860 . 0 0 "[ . 1 . 2 . ]" 2
463 1 76 PHE HZ 1 106 ILE MG 0.000 . 5.000 4.547 4.172 4.661 . 0 0 "[ . 1 . 2 . ]" 2
464 1 76 PHE HA 1 109 PHE QD 0.000 . 5.000 3.633 3.509 3.777 . 0 0 "[ . 1 . 2 . ]" 2
465 1 76 PHE HA 1 109 PHE QE 0.000 . 5.000 3.165 2.930 3.346 . 0 0 "[ . 1 . 2 . ]" 2
466 1 76 PHE HA 1 109 PHE HZ 0.000 . 5.000 4.000 3.581 4.274 . 0 0 "[ . 1 . 2 . ]" 2
467 1 76 PHE QB 1 109 PHE QD 0.000 . 5.000 4.212 4.081 4.477 . 0 0 "[ . 1 . 2 . ]" 2
468 1 76 PHE QB 1 109 PHE QE 0.000 . 5.000 3.622 3.442 3.968 . 0 0 "[ . 1 . 2 . ]" 2
469 1 76 PHE QB 1 109 PHE HZ 0.000 . 5.000 3.815 3.613 4.321 . 0 0 "[ . 1 . 2 . ]" 2
470 1 76 PHE QD 1 109 PHE HA 0.000 . 5.000 4.967 4.789 5.043 0.043 3 0 "[ . 1 . 2 . ]" 2
471 1 76 PHE QD 1 109 PHE QB 0.000 . 5.000 2.835 2.662 2.941 . 0 0 "[ . 1 . 2 . ]" 2
472 1 76 PHE QD 1 109 PHE QD 0.000 . 5.000 2.802 2.706 3.080 . 0 0 "[ . 1 . 2 . ]" 2
473 1 76 PHE QD 1 109 PHE QE 0.000 . 5.000 3.369 3.226 3.565 . 0 0 "[ . 1 . 2 . ]" 2
474 1 76 PHE QD 1 109 PHE HZ 0.000 . 5.000 4.132 3.920 4.269 . 0 0 "[ . 1 . 2 . ]" 2
475 1 76 PHE QE 1 109 PHE HA 0.000 . 5.000 4.693 4.385 4.895 . 0 0 "[ . 1 . 2 . ]" 2
476 1 76 PHE QE 1 109 PHE QB 0.000 . 5.000 2.119 1.842 2.286 . 0 0 "[ . 1 . 2 . ]" 2
477 1 76 PHE QE 1 109 PHE QD 0.000 . 5.000 3.469 3.298 3.649 . 0 0 "[ . 1 . 2 . ]" 2
478 1 76 PHE QE 1 109 PHE QE 0.000 . 5.000 4.961 4.782 5.054 0.054 27 0 "[ . 1 . 2 . ]" 2
479 1 76 PHE HZ 1 109 PHE QB 0.000 . 5.000 4.030 3.847 4.191 . 0 0 "[ . 1 . 2 . ]" 2
480 1 76 PHE QD 1 113 ILE MD 0.000 . 5.000 4.144 4.020 4.354 . 0 0 "[ . 1 . 2 . ]" 2
481 1 77 LYS HA 1 77 LYS QE 0.000 . 5.000 4.632 3.541 4.937 . 0 0 "[ . 1 . 2 . ]" 2
482 1 77 LYS HA 1 82 CYS QB 0.000 . 5.000 3.877 3.439 4.207 . 0 0 "[ . 1 . 2 . ]" 2
483 1 77 LYS QG 1 83 ASN HA 0.000 . 3.000 2.626 1.948 3.015 0.015 15 0 "[ . 1 . 2 . ]" 2
484 1 78 LYS HA 1 78 LYS QE 0.000 . 5.000 4.170 2.315 4.814 . 0 0 "[ . 1 . 2 . ]" 2
485 1 79 LYS HA 1 79 LYS QB 0.000 . 2.500 2.440 2.338 2.523 0.023 7 0 "[ . 1 . 2 . ]" 2
486 1 79 LYS HA 1 79 LYS QD 0.000 . 5.000 3.886 3.626 4.047 . 0 0 "[ . 1 . 2 . ]" 2
487 1 79 LYS HA 1 79 LYS QE 0.000 . 5.000 4.705 3.974 5.008 0.008 24 0 "[ . 1 . 2 . ]" 2
488 1 79 LYS HA 1 79 LYS QG 0.000 . 2.500 2.276 2.114 2.446 . 0 0 "[ . 1 . 2 . ]" 2
489 1 79 LYS QB 1 79 LYS QG 0.000 . 2.500 2.057 2.022 2.087 . 0 0 "[ . 1 . 2 . ]" 2
490 1 79 LYS QD 1 79 LYS QE 0.000 . 2.500 2.007 1.970 2.029 . 0 0 "[ . 1 . 2 . ]" 2
491 1 79 LYS QD 1 79 LYS QG 0.000 . 2.500 2.073 2.030 2.091 . 0 0 "[ . 1 . 2 . ]" 2
492 1 79 LYS QE 1 79 LYS QG 0.000 . 2.500 2.316 2.094 2.511 0.011 11 0 "[ . 1 . 2 . ]" 2
493 1 79 LYS HA 1 80 PHE QD 0.000 . 5.000 4.996 4.890 5.029 0.029 2 0 "[ . 1 . 2 . ]" 2
494 1 79 LYS QB 1 80 PHE QD 0.000 . 3.000 2.794 2.586 2.925 . 0 0 "[ . 1 . 2 . ]" 2
495 1 79 LYS QB 1 80 PHE QE 0.000 . 5.000 2.805 2.605 2.890 . 0 0 "[ . 1 . 2 . ]" 2
496 1 79 LYS QB 1 80 PHE HZ 0.000 . 5.000 3.848 3.456 4.144 . 0 0 "[ . 1 . 2 . ]" 2
497 1 79 LYS QD 1 80 PHE QD 0.000 . 5.000 3.692 2.984 4.219 . 0 0 "[ . 1 . 2 . ]" 2
498 1 79 LYS QD 1 80 PHE QE 0.000 . 3.000 2.695 2.313 2.975 . 0 0 "[ . 1 . 2 . ]" 2
499 1 79 LYS QD 1 80 PHE HZ 0.000 . 5.000 2.488 2.249 2.790 . 0 0 "[ . 1 . 2 . ]" 2
500 1 79 LYS QE 1 80 PHE QD 0.000 . 5.000 4.481 3.155 5.010 0.010 14 0 "[ . 1 . 2 . ]" 2
501 1 79 LYS QE 1 80 PHE QE 0.000 . 5.000 3.226 2.368 3.702 . 0 0 "[ . 1 . 2 . ]" 2
502 1 79 LYS QE 1 80 PHE HZ 0.000 . 5.000 3.179 2.728 3.595 . 0 0 "[ . 1 . 2 . ]" 2
503 1 79 LYS QG 1 80 PHE HA 0.000 . 5.000 4.506 3.788 5.003 0.003 7 0 "[ . 1 . 2 . ]" 2
504 1 79 LYS QG 1 80 PHE QD 0.000 . 5.000 4.209 3.204 4.671 . 0 0 "[ . 1 . 2 . ]" 2
505 1 79 LYS QG 1 80 PHE QE 0.000 . 5.000 3.930 2.930 4.327 . 0 0 "[ . 1 . 2 . ]" 2
506 1 79 LYS QG 1 80 PHE HZ 0.000 . 5.000 4.300 3.191 4.843 . 0 0 "[ . 1 . 2 . ]" 2
507 1 80 PHE HA 1 80 PHE QB 0.000 . 2.500 2.266 2.222 2.310 . 0 0 "[ . 1 . 2 . ]" 2
508 1 80 PHE HA 1 80 PHE QE 0.000 . 5.000 4.883 4.751 5.011 0.011 7 0 "[ . 1 . 2 . ]" 2
509 1 80 PHE QB 1 80 PHE QD 0.000 . 2.500 2.123 2.122 2.126 . 0 0 "[ . 1 . 2 . ]" 2
510 1 80 PHE QB 1 82 CYS QB 0.000 . 5.000 2.891 2.498 3.201 . 0 0 "[ . 1 . 2 . ]" 2
511 1 80 PHE QD 1 98 LEU QD 0.000 . 5.000 4.416 4.193 4.820 . 0 0 "[ . 1 . 2 . ]" 2
512 1 80 PHE QE 1 98 LEU QD 0.000 . 5.000 4.467 4.317 4.708 . 0 0 "[ . 1 . 2 . ]" 2
513 1 80 PHE QE 1 108 GLN QB 0.000 . 5.000 3.359 2.620 3.935 . 0 0 "[ . 1 . 2 . ]" 2
514 1 80 PHE HZ 1 108 GLN QB 0.000 . 5.000 3.720 3.082 4.358 . 0 0 "[ . 1 . 2 . ]" 2
515 1 80 PHE HZ 1 108 GLN QG 0.000 . 5.000 3.859 2.930 5.104 0.104 24 0 "[ . 1 . 2 . ]" 2
516 1 80 PHE QD 1 109 PHE QB 0.000 . 5.000 4.229 4.088 4.489 . 0 0 "[ . 1 . 2 . ]" 2
517 1 80 PHE QD 1 109 PHE QD 0.000 . 5.000 4.287 4.195 4.412 . 0 0 "[ . 1 . 2 . ]" 2
518 1 80 PHE QD 1 109 PHE QE 0.000 . 5.000 4.958 4.830 5.027 0.027 15 0 "[ . 1 . 2 . ]" 2
519 1 80 PHE QE 1 109 PHE HA 0.000 . 5.000 3.720 3.578 3.950 . 0 0 "[ . 1 . 2 . ]" 2
520 1 80 PHE QE 1 109 PHE QB 0.000 . 5.000 2.310 2.151 2.599 . 0 0 "[ . 1 . 2 . ]" 2
521 1 80 PHE QE 1 109 PHE QD 0.000 . 3.000 2.186 2.066 2.283 . 0 0 "[ . 1 . 2 . ]" 2
522 1 80 PHE QE 1 109 PHE QE 0.000 . 5.000 3.574 3.413 3.678 . 0 0 "[ . 1 . 2 . ]" 2
523 1 80 PHE QE 1 109 PHE HZ 0.000 . 5.000 5.017 4.896 5.072 0.072 29 0 "[ . 1 . 2 . ]" 2
524 1 80 PHE HZ 1 109 PHE QB 0.000 . 5.000 1.952 1.877 2.081 . 0 0 "[ . 1 . 2 . ]" 2
525 1 80 PHE QE 1 113 ILE MD 0.000 . 5.000 4.260 4.144 4.398 . 0 0 "[ . 1 . 2 . ]" 2
526 1 81 ALA HA 1 81 ALA MB 0.000 . 2.500 2.106 2.092 2.129 . 0 0 "[ . 1 . 2 . ]" 2
527 1 81 ALA MB 1 82 CYS HA 0.000 . 5.000 4.140 4.107 4.183 . 0 0 "[ . 1 . 2 . ]" 2
528 1 81 ALA MB 1 82 CYS QB 0.000 . 5.000 4.896 4.477 5.015 0.015 12 0 "[ . 1 . 2 . ]" 2
529 1 82 CYS HA 1 82 CYS QB 0.000 . 2.500 2.400 2.295 2.525 0.025 13 0 "[ . 1 . 2 . ]" 2
530 1 82 CYS QB 1 98 LEU QD 0.000 . 5.000 3.499 2.804 4.053 . 0 0 "[ . 1 . 2 . ]" 2
531 1 82 CYS QB 1 99 GLN QB 0.000 . 5.000 3.333 2.534 4.568 . 0 0 "[ . 1 . 2 . ]" 2
532 1 83 ASN HA 1 83 ASN QB 0.000 . 2.500 2.389 2.155 2.539 0.039 15 0 "[ . 1 . 2 . ]" 2
533 1 83 ASN HA 1 99 GLN QB 0.000 . 5.000 3.955 3.706 4.246 . 0 0 "[ . 1 . 2 . ]" 2
534 1 83 ASN HA 1 99 GLN QG 0.000 . 5.000 4.756 4.282 5.036 0.036 8 0 "[ . 1 . 2 . ]" 2
535 1 83 ASN QB 1 99 GLN HA 0.000 . 5.000 4.466 4.116 5.006 0.006 25 0 "[ . 1 . 2 . ]" 2
536 1 83 ASN QB 1 99 GLN QB 0.000 . 2.500 2.021 1.747 2.502 0.002 8 0 "[ . 1 . 2 . ]" 2
537 1 83 ASN QB 1 99 GLN QG 0.000 . 5.000 2.172 1.828 2.641 . 0 0 "[ . 1 . 2 . ]" 2
538 1 84 GLY QA 1 98 LEU HA 0.000 . 2.500 2.014 1.821 2.319 . 0 0 "[ . 1 . 2 . ]" 2
539 1 84 GLY QA 1 98 LEU QB 0.000 . 5.000 3.676 3.423 4.071 . 0 0 "[ . 1 . 2 . ]" 2
540 1 84 GLY QA 1 98 LEU QD 0.000 . 2.500 2.191 1.849 2.370 . 0 0 "[ . 1 . 2 . ]" 2
541 1 85 THR HA 1 85 THR HB 0.000 . 2.500 2.428 2.238 2.518 0.018 8 0 "[ . 1 . 2 . ]" 2
542 1 85 THR HA 1 85 THR MG 0.000 . 3.000 2.457 2.335 3.050 0.050 1 0 "[ . 1 . 2 . ]" 2
543 1 85 THR HB 1 85 THR MG 0.000 . 2.500 2.101 2.073 2.118 . 0 0 "[ . 1 . 2 . ]" 2
544 1 85 THR HB 1 87 ILE MD 0.000 . 5.000 3.223 2.667 4.417 . 0 0 "[ . 1 . 2 . ]" 2
545 1 85 THR HB 1 87 ILE MG 0.000 . 5.000 3.244 2.672 4.486 . 0 0 "[ . 1 . 2 . ]" 2
546 1 85 THR MG 1 87 ILE MD 0.000 . 5.000 3.925 3.351 4.410 . 0 0 "[ . 1 . 2 . ]" 2
547 1 85 THR MG 1 87 ILE MG 0.000 . 5.000 3.997 3.450 4.471 . 0 0 "[ . 1 . 2 . ]" 2
548 1 86 VAL HA 1 86 VAL HB 0.000 . 2.500 2.472 2.440 2.875 0.375 26 0 "[ . 1 . 2 . ]" 2
549 1 86 VAL HA 1 96 ILE HA 0.000 . 2.500 2.109 1.854 2.320 . 0 0 "[ . 1 . 2 . ]" 2
550 1 86 VAL HA 1 96 ILE HB 0.000 . 5.000 4.785 4.643 4.980 . 0 0 "[ . 1 . 2 . ]" 2
551 1 86 VAL HA 1 96 ILE MD 0.000 . 3.000 2.142 1.800 2.931 . 0 0 "[ . 1 . 2 . ]" 2
552 1 86 VAL HA 1 96 ILE QG 0.000 . 3.000 3.057 3.035 3.090 0.090 7 0 "[ . 1 . 2 . ]" 2
553 1 86 VAL HA 1 96 ILE MG 0.000 . 5.000 3.709 3.349 4.253 . 0 0 "[ . 1 . 2 . ]" 2
554 1 86 VAL HB 1 96 ILE HA 0.000 . 5.000 4.096 3.498 4.940 . 0 0 "[ . 1 . 2 . ]" 2
555 1 86 VAL QG 1 96 ILE HA 0.000 . 5.000 3.193 2.741 3.435 . 0 0 "[ . 1 . 2 . ]" 2
556 1 87 ILE HA 1 87 ILE HB 0.000 . 2.500 2.447 2.298 2.510 0.010 16 0 "[ . 1 . 2 . ]" 2
557 1 87 ILE HA 1 87 ILE MG 0.000 . 2.500 2.346 2.220 2.536 0.036 26 0 "[ . 1 . 2 . ]" 2
558 1 87 ILE MD 1 89 HIS QB 0.000 . 5.000 2.533 1.940 3.985 . 0 0 "[ . 1 . 2 . ]" 2
559 1 87 ILE MD 1 89 HIS HD2 0.000 . 5.000 2.471 2.060 4.243 . 0 0 "[ . 1 . 2 . ]" 2
560 1 87 ILE MG 1 89 HIS HD2 0.000 . 5.000 5.037 5.018 5.064 0.064 11 0 "[ . 1 . 2 . ]" 2
561 1 88 GLU HA 1 88 GLU QB 0.000 . 2.500 2.462 2.401 2.496 . 0 0 "[ . 1 . 2 . ]" 2
562 1 88 GLU QB 1 88 GLU QG 0.000 . 2.500 2.076 2.039 2.085 . 0 0 "[ . 1 . 2 . ]" 2
563 1 88 GLU QG 1 89 HIS QB 0.000 . 5.000 5.003 4.855 5.040 0.040 17 0 "[ . 1 . 2 . ]" 2
564 1 88 GLU QG 1 93 GLY QA 0.000 . 3.000 2.984 2.771 3.038 0.038 12 0 "[ . 1 . 2 . ]" 2
565 1 88 GLU HA 1 94 GLU HA 0.000 . 2.500 2.078 1.949 2.433 . 0 0 "[ . 1 . 2 . ]" 2
566 1 88 GLU HA 1 94 GLU QB 0.000 . 5.000 4.036 3.709 4.468 . 0 0 "[ . 1 . 2 . ]" 2
567 1 88 GLU HA 1 94 GLU QG 0.000 . 5.000 3.750 3.116 4.513 . 0 0 "[ . 1 . 2 . ]" 2
568 1 88 GLU QB 1 94 GLU HA 0.000 . 5.000 3.669 3.435 4.082 . 0 0 "[ . 1 . 2 . ]" 2
569 1 88 GLU QG 1 94 GLU HA 0.000 . 2.500 2.500 2.333 2.538 0.038 15 0 "[ . 1 . 2 . ]" 2
570 1 89 HIS HA 1 89 HIS HD2 0.000 . 3.000 2.960 2.870 3.018 0.018 25 0 "[ . 1 . 2 . ]" 2
571 1 89 HIS HA 1 90 PRO QD 0.000 . 2.500 2.010 1.993 2.026 . 0 0 "[ . 1 . 2 . ]" 2
572 1 89 HIS HA 1 90 PRO QG 0.000 . 5.000 3.931 3.895 3.957 . 0 0 "[ . 1 . 2 . ]" 2
573 1 89 HIS HD2 1 90 PRO QD 0.000 . 5.000 3.330 3.161 3.448 . 0 0 "[ . 1 . 2 . ]" 2
574 1 89 HIS HE1 1 90 PRO QD 0.000 . 5.000 3.780 3.412 4.141 . 0 0 "[ . 1 . 2 . ]" 2
575 1 89 HIS HE1 1 90 PRO QG 0.000 . 5.000 4.367 4.038 4.682 . 0 0 "[ . 1 . 2 . ]" 2
576 1 89 HIS HE1 1 91 GLU HA 0.000 . 5.000 5.004 4.888 5.029 0.029 19 0 "[ . 1 . 2 . ]" 2
577 1 89 HIS HE1 1 91 GLU QB 0.000 . 2.500 2.175 2.070 2.485 . 0 0 "[ . 1 . 2 . ]" 2
578 1 89 HIS HE1 1 91 GLU QG 0.000 . 3.000 2.886 1.968 3.052 0.052 15 0 "[ . 1 . 2 . ]" 2
579 1 89 HIS QB 1 92 TYR QD 0.000 . 5.000 2.466 2.318 2.776 . 0 0 "[ . 1 . 2 . ]" 2
580 1 89 HIS QB 1 92 TYR QE 0.000 . 5.000 3.586 3.315 3.922 . 0 0 "[ . 1 . 2 . ]" 2
581 1 89 HIS HD2 1 92 TYR QD 0.000 . 5.000 4.938 4.462 5.024 0.024 10 0 "[ . 1 . 2 . ]" 2
582 1 89 HIS HD2 1 92 TYR QE 0.000 . 5.000 4.471 4.208 4.785 . 0 0 "[ . 1 . 2 . ]" 2
583 1 89 HIS HE1 1 92 TYR QD 0.000 . 5.000 4.741 4.408 4.958 . 0 0 "[ . 1 . 2 . ]" 2
584 1 89 HIS HE1 1 92 TYR QE 0.000 . 5.000 3.685 3.461 3.935 . 0 0 "[ . 1 . 2 . ]" 2
585 1 89 HIS QB 1 95 VAL QG 0.000 . 2.500 1.831 1.753 1.969 . 0 0 "[ . 1 . 2 . ]" 2
586 1 89 HIS HD2 1 95 VAL QG 0.000 . 5.000 3.821 3.510 4.094 . 0 0 "[ . 1 . 2 . ]" 2
587 1 90 PRO HA 1 90 PRO QB 0.000 . 2.500 2.185 2.182 2.187 . 0 0 "[ . 1 . 2 . ]" 2
588 1 90 PRO QB 1 90 PRO QD 0.000 . 3.000 2.810 2.782 2.840 . 0 0 "[ . 1 . 2 . ]" 2
589 1 91 GLU HA 1 91 GLU QB 0.000 . 2.500 2.498 2.293 2.537 0.037 23 0 "[ . 1 . 2 . ]" 2
590 1 91 GLU HA 1 91 GLU QG 0.000 . 2.500 2.371 2.124 2.527 0.027 14 0 "[ . 1 . 2 . ]" 2
591 1 91 GLU QB 1 91 GLU QG 0.000 . 2.500 2.008 1.977 2.073 . 0 0 "[ . 1 . 2 . ]" 2
592 1 91 GLU HA 1 92 TYR QD 0.000 . 5.000 4.381 4.159 4.555 . 0 0 "[ . 1 . 2 . ]" 2
593 1 91 GLU HA 1 92 TYR QE 0.000 . 5.000 5.024 4.993 5.042 0.042 11 0 "[ . 1 . 2 . ]" 2
594 1 91 GLU QB 1 92 TYR QD 0.000 . 3.000 2.812 2.521 3.037 0.037 10 0 "[ . 1 . 2 . ]" 2
595 1 91 GLU QB 1 92 TYR QE 0.000 . 5.000 2.533 2.333 2.728 . 0 0 "[ . 1 . 2 . ]" 2
596 1 91 GLU QG 1 92 TYR QD 0.000 . 5.000 4.432 3.998 4.741 . 0 0 "[ . 1 . 2 . ]" 2
597 1 91 GLU QG 1 92 TYR QE 0.000 . 5.000 3.766 3.357 4.425 . 0 0 "[ . 1 . 2 . ]" 2
598 1 92 TYR HA 1 92 TYR QD 0.000 . 2.500 2.406 2.285 2.517 0.017 10 0 "[ . 1 . 2 . ]" 2
599 1 92 TYR HA 1 92 TYR QE 0.000 . 5.000 4.686 4.608 4.752 . 0 0 "[ . 1 . 2 . ]" 2
600 1 92 TYR QB 1 92 TYR QD 0.000 . 3.000 2.193 2.161 2.243 . 0 0 "[ . 1 . 2 . ]" 2
601 1 92 TYR QD 1 95 VAL QG 0.000 . 5.000 1.854 1.674 2.159 . 0 0 "[ . 1 . 2 . ]" 2
602 1 94 GLU HA 1 94 GLU QB 0.000 . 2.500 2.472 2.345 2.536 0.036 4 0 "[ . 1 . 2 . ]" 2
603 1 94 GLU HA 1 94 GLU QG 0.000 . 2.500 2.236 2.024 2.500 0.000 2 0 "[ . 1 . 2 . ]" 2
604 1 95 VAL HA 1 95 VAL HB 0.000 . 2.500 2.481 2.423 2.525 0.025 2 0 "[ . 1 . 2 . ]" 2
605 1 95 VAL HA 1 95 VAL QG 0.000 . 3.000 2.212 2.120 2.357 . 0 0 "[ . 1 . 2 . ]" 2
606 1 95 VAL QG 1 97 GLN HA 0.000 . 5.000 4.573 4.191 4.896 . 0 0 "[ . 1 . 2 . ]" 2
607 1 96 ILE HA 1 96 ILE MD 0.000 . 3.000 2.399 1.806 2.720 . 0 0 "[ . 1 . 2 . ]" 2
608 1 96 ILE HA 1 96 ILE QG 0.000 . 3.000 2.338 2.171 2.566 . 0 0 "[ . 1 . 2 . ]" 2
609 1 96 ILE HA 1 96 ILE MG 0.000 . 3.000 2.695 2.558 2.992 . 0 0 "[ . 1 . 2 . ]" 2
610 1 96 ILE HB 1 96 ILE QG 0.000 . 2.500 2.174 2.155 2.297 . 0 0 "[ . 1 . 2 . ]" 2
611 1 96 ILE MG 1 97 GLN HA 0.000 . 5.000 3.436 3.187 3.690 . 0 0 "[ . 1 . 2 . ]" 2
612 1 96 ILE MG 1 98 LEU HA 0.000 . 5.000 3.843 3.540 4.183 . 0 0 "[ . 1 . 2 . ]" 2
613 1 97 GLN HA 1 97 GLN QG 0.000 . 2.500 2.196 2.069 2.236 . 0 0 "[ . 1 . 2 . ]" 2
614 1 97 GLN HA 1 98 LEU QD 0.000 . 5.000 4.296 3.616 4.633 . 0 0 "[ . 1 . 2 . ]" 2
615 1 98 LEU HA 1 98 LEU QD 0.000 . 2.500 2.388 1.940 2.523 0.023 26 0 "[ . 1 . 2 . ]" 2
616 1 98 LEU HA 1 98 LEU HG 0.000 . 3.000 2.877 2.652 3.022 0.022 14 0 "[ . 1 . 2 . ]" 2
617 1 98 LEU QB 1 98 LEU QD 0.000 . 2.500 1.835 1.762 1.978 . 0 0 "[ . 1 . 2 . ]" 2
618 1 98 LEU HA 1 102 GLN QG 0.000 . 5.000 4.943 4.181 5.044 0.044 8 0 "[ . 1 . 2 . ]" 2
619 1 98 LEU QB 1 102 GLN QG 0.000 . 5.000 2.641 1.933 2.970 . 0 0 "[ . 1 . 2 . ]" 2
620 1 98 LEU QD 1 102 GLN HA 0.000 . 5.000 4.627 4.401 4.853 . 0 0 "[ . 1 . 2 . ]" 2
621 1 98 LEU QD 1 102 GLN QB 0.000 . 3.000 2.278 2.035 2.572 . 0 0 "[ . 1 . 2 . ]" 2
622 1 98 LEU QD 1 102 GLN QG 0.000 . 3.000 2.708 2.325 2.987 . 0 0 "[ . 1 . 2 . ]" 2
623 1 98 LEU QD 1 103 ARG HA 0.000 . 5.000 5.027 4.951 5.062 0.062 14 0 "[ . 1 . 2 . ]" 2
624 1 98 LEU QD 1 106 ILE HA 0.000 . 5.000 3.132 2.951 3.393 . 0 0 "[ . 1 . 2 . ]" 2
625 1 98 LEU QD 1 109 PHE QD 0.000 . 5.000 4.093 3.876 4.346 . 0 0 "[ . 1 . 2 . ]" 2
626 1 98 LEU QD 1 109 PHE QE 0.000 . 5.000 4.651 4.378 5.003 0.003 19 0 "[ . 1 . 2 . ]" 2
627 1 99 GLN HA 1 99 GLN QB 0.000 . 2.500 2.528 2.489 2.539 0.039 7 0 "[ . 1 . 2 . ]" 2
628 1 99 GLN HA 1 99 GLN QG 0.000 . 2.500 2.174 2.012 2.439 . 0 0 "[ . 1 . 2 . ]" 2
629 1 101 ASP HA 1 101 ASP QB 0.000 . 2.500 2.187 2.181 2.264 . 0 0 "[ . 1 . 2 . ]" 2
630 1 102 GLN HA 1 102 GLN QG 0.000 . 3.000 2.661 2.554 3.084 0.084 21 0 "[ . 1 . 2 . ]" 2
631 1 102 GLN HA 1 105 ASN QB 0.000 . 5.000 2.289 2.064 2.570 . 0 0 "[ . 1 . 2 . ]" 2
632 1 102 GLN QB 1 106 ILE HB 0.000 . 5.000 2.500 2.184 3.036 . 0 0 "[ . 1 . 2 . ]" 2
633 1 103 ARG HA 1 106 ILE MG 0.000 . 2.500 2.365 2.105 2.526 0.026 21 0 "[ . 1 . 2 . ]" 2
634 1 104 LYS HA 1 104 LYS QB 0.000 . 2.500 2.437 2.356 2.537 0.037 6 0 "[ . 1 . 2 . ]" 2
635 1 104 LYS HA 1 104 LYS QD 0.000 . 5.000 3.349 1.965 4.236 . 0 0 "[ . 1 . 2 . ]" 2
636 1 104 LYS HA 1 104 LYS QE 0.000 . 5.000 3.933 1.984 4.783 . 0 0 "[ . 1 . 2 . ]" 2
637 1 104 LYS HA 1 104 LYS QG 0.000 . 3.000 2.408 2.042 2.969 . 0 0 "[ . 1 . 2 . ]" 2
638 1 104 LYS QB 1 104 LYS QE 0.000 . 3.000 2.248 1.936 3.021 0.021 22 0 "[ . 1 . 2 . ]" 2
639 1 105 ASN HA 1 105 ASN QB 0.000 . 2.500 2.467 2.337 2.511 0.011 28 0 "[ . 1 . 2 . ]" 2
640 1 105 ASN HA 1 108 GLN QB 0.000 . 2.500 2.288 2.052 2.516 0.016 4 0 "[ . 1 . 2 . ]" 2
641 1 105 ASN HA 1 108 GLN QG 0.000 . 3.000 3.057 3.009 3.089 0.089 7 0 "[ . 1 . 2 . ]" 2
642 1 106 ILE HA 1 106 ILE HB 0.000 . 3.000 2.473 2.448 2.518 . 0 0 "[ . 1 . 2 . ]" 2
643 1 106 ILE HA 1 106 ILE MD 0.000 . 2.500 1.969 1.900 2.076 . 0 0 "[ . 1 . 2 . ]" 2
644 1 106 ILE HB 1 106 ILE MD 0.000 . 2.500 2.406 2.337 2.499 . 0 0 "[ . 1 . 2 . ]" 2
645 1 106 ILE HB 1 106 ILE MG 0.000 . 2.500 2.123 2.121 2.125 . 0 0 "[ . 1 . 2 . ]" 2
646 1 106 ILE QG 1 106 ILE MG 0.000 . 2.500 2.112 2.093 2.124 . 0 0 "[ . 1 . 2 . ]" 2
647 1 106 ILE HA 1 109 PHE QB 0.000 . 2.500 2.317 2.063 2.522 0.022 19 0 "[ . 1 . 2 . ]" 2
648 1 106 ILE MD 1 109 PHE HA 0.000 . 5.000 4.972 4.768 5.021 0.021 13 0 "[ . 1 . 2 . ]" 2
649 1 106 ILE MD 1 109 PHE QB 0.000 . 3.000 2.307 2.041 2.429 . 0 0 "[ . 1 . 2 . ]" 2
650 1 106 ILE HA 1 110 LEU QD 0.000 . 5.000 3.288 3.073 3.531 . 0 0 "[ . 1 . 2 . ]" 2
651 1 106 ILE MD 1 110 LEU HG 0.000 . 5.000 4.270 4.059 4.453 . 0 0 "[ . 1 . 2 . ]" 2
652 1 106 ILE QG 1 110 LEU QD 0.000 . 2.500 1.974 1.758 2.240 . 0 0 "[ . 1 . 2 . ]" 2
653 1 106 ILE QG 1 110 LEU HG 0.000 . 5.000 4.449 4.158 4.765 . 0 0 "[ . 1 . 2 . ]" 2
654 1 106 ILE MG 1 110 LEU QD 0.000 . 5.000 3.131 2.834 3.370 . 0 0 "[ . 1 . 2 . ]" 2
655 1 107 CYS HA 1 107 CYS QB 0.000 . 2.500 2.278 2.185 2.540 0.040 11 0 "[ . 1 . 2 . ]" 2
656 1 107 CYS HA 1 110 LEU QB 0.000 . 5.000 2.637 2.489 2.937 . 0 0 "[ . 1 . 2 . ]" 2
657 1 107 CYS HA 1 110 LEU QD 0.000 . 3.000 2.724 2.312 3.005 0.005 24 0 "[ . 1 . 2 . ]" 2
658 1 107 CYS HA 1 121 LEU QD 0.000 . 2.500 2.541 2.515 2.570 0.070 14 0 "[ . 1 . 2 . ]" 2
659 1 107 CYS QB 1 121 LEU QD 0.000 . 3.000 1.973 1.744 2.993 . 0 0 "[ . 1 . 2 . ]" 2
660 1 108 GLN HA 1 108 GLN QB 0.000 . 2.500 2.337 2.224 2.508 0.008 26 0 "[ . 1 . 2 . ]" 2
661 1 108 GLN HA 1 108 GLN QG 0.000 . 3.000 2.785 2.299 3.067 0.067 3 0 "[ . 1 . 2 . ]" 2
662 1 108 GLN HA 1 111 VAL HB 0.000 . 5.000 3.048 2.811 3.239 . 0 0 "[ . 1 . 2 . ]" 2
663 1 108 GLN HA 1 111 VAL QG 0.000 . 5.000 3.347 3.120 3.665 . 0 0 "[ . 1 . 2 . ]" 2
664 1 108 GLN QB 1 111 VAL HB 0.000 . 5.000 4.873 4.607 5.012 0.012 8 0 "[ . 1 . 2 . ]" 2
665 1 108 GLN QB 1 111 VAL QG 0.000 . 5.000 4.684 4.437 4.896 . 0 0 "[ . 1 . 2 . ]" 2
666 1 108 GLN QG 1 111 VAL QG 0.000 . 5.000 4.815 4.439 4.996 . 0 0 "[ . 1 . 2 . ]" 2
667 1 109 PHE HA 1 109 PHE QB 0.000 . 2.500 2.365 2.334 2.407 . 0 0 "[ . 1 . 2 . ]" 2
668 1 109 PHE HA 1 109 PHE QE 0.000 . 5.000 4.517 4.406 4.588 . 0 0 "[ . 1 . 2 . ]" 2
669 1 109 PHE HA 1 112 GLU HA 0.000 . 5.000 4.962 4.636 5.025 0.025 29 0 "[ . 1 . 2 . ]" 2
670 1 109 PHE HA 1 112 GLU QB 0.000 . 2.500 2.096 1.746 2.192 . 0 0 "[ . 1 . 2 . ]" 2
671 1 109 PHE HA 1 112 GLU QG 0.000 . 3.000 3.007 2.859 3.136 0.136 27 0 "[ . 1 . 2 . ]" 2
672 1 109 PHE QD 1 112 GLU QB 0.000 . 5.000 3.472 3.179 3.606 . 0 0 "[ . 1 . 2 . ]" 2
673 1 109 PHE QE 1 112 GLU QB 0.000 . 5.000 4.737 4.370 5.000 0.000 25 0 "[ . 1 . 2 . ]" 2
674 1 109 PHE HA 1 113 ILE MD 0.000 . 5.000 3.143 3.021 3.239 . 0 0 "[ . 1 . 2 . ]" 2
675 1 109 PHE HA 1 113 ILE MD 0.000 . 5.000 4.636 4.433 4.844 . 0 0 "[ . 1 . 2 . ]" 2
676 1 109 PHE HA 1 113 ILE MG 0.000 . 5.000 3.198 3.062 3.306 . 0 0 "[ . 1 . 2 . ]" 2
677 1 109 PHE QD 1 113 ILE MD 0.000 . 3.000 2.459 2.328 2.524 . 0 0 "[ . 1 . 2 . ]" 2
678 1 109 PHE QE 1 113 ILE MD 0.000 . 3.000 2.033 1.950 2.112 . 0 0 "[ . 1 . 2 . ]" 2
679 1 109 PHE HZ 1 113 ILE MD 0.000 . 3.000 2.307 2.232 2.451 . 0 0 "[ . 1 . 2 . ]" 2
680 1 110 LEU HA 1 110 LEU QB 0.000 . 2.500 2.480 2.447 2.495 . 0 0 "[ . 1 . 2 . ]" 2
681 1 110 LEU HA 1 110 LEU QD 0.000 . 2.500 2.093 1.957 2.301 . 0 0 "[ . 1 . 2 . ]" 2
682 1 110 LEU QB 1 110 LEU QD 0.000 . 2.500 1.970 1.920 1.988 . 0 0 "[ . 1 . 2 . ]" 2
683 1 110 LEU HA 1 113 ILE MD 0.000 . 5.000 2.950 2.748 3.249 . 0 0 "[ . 1 . 2 . ]" 2
684 1 110 LEU HA 1 113 ILE QG 0.000 . 5.000 2.643 2.468 2.915 . 0 0 "[ . 1 . 2 . ]" 2
685 1 110 LEU HA 1 113 ILE MG 0.000 . 5.000 4.254 4.089 4.887 . 0 0 "[ . 1 . 2 . ]" 2
686 1 110 LEU QD 1 113 ILE MD 0.000 . 5.000 2.963 2.719 3.277 . 0 0 "[ . 1 . 2 . ]" 2
687 1 110 LEU QD 1 113 ILE MG 0.000 . 5.000 4.415 4.247 4.836 . 0 0 "[ . 1 . 2 . ]" 2
688 1 110 LEU HA 1 115 LEU HA 0.000 . 5.000 4.537 4.399 4.659 . 0 0 "[ . 1 . 2 . ]" 2
689 1 110 LEU HA 1 115 LEU QB 0.000 . 5.000 2.007 1.829 2.103 . 0 0 "[ . 1 . 2 . ]" 2
690 1 110 LEU HA 1 115 LEU QD 0.000 . 3.000 2.962 2.668 3.025 0.025 10 0 "[ . 1 . 2 . ]" 2
691 1 110 LEU QD 1 115 LEU QD 0.000 . 5.000 2.076 1.830 2.349 . 0 0 "[ . 1 . 2 . ]" 2
692 1 110 LEU HG 1 115 LEU QD 0.000 . 5.000 2.765 1.968 3.156 . 0 0 "[ . 1 . 2 . ]" 2
693 1 111 VAL HA 1 111 VAL QG 0.000 . 2.500 2.114 2.064 2.167 . 0 0 "[ . 1 . 2 . ]" 2
694 1 111 VAL QG 1 112 GLU QB 0.000 . 5.000 4.541 3.948 4.594 . 0 0 "[ . 1 . 2 . ]" 2
695 1 111 VAL QG 1 112 GLU QG 0.000 . 5.000 3.802 3.488 5.068 0.068 25 0 "[ . 1 . 2 . ]" 2
696 1 111 VAL QG 1 117 LYS HA 0.000 . 5.000 4.013 3.389 4.550 . 0 0 "[ . 1 . 2 . ]" 2
697 1 112 GLU HA 1 112 GLU QB 0.000 . 2.500 2.434 2.272 2.530 0.030 27 0 "[ . 1 . 2 . ]" 2
698 1 112 GLU HA 1 112 GLU QG 0.000 . 2.500 2.373 2.279 2.606 0.106 25 0 "[ . 1 . 2 . ]" 2
699 1 112 GLU QB 1 112 GLU QG 0.000 . 2.500 2.017 1.962 2.023 . 0 0 "[ . 1 . 2 . ]" 2
700 1 112 GLU QB 1 113 ILE MD 0.000 . 3.000 2.831 2.620 2.991 . 0 0 "[ . 1 . 2 . ]" 2
701 1 112 GLU QB 1 113 ILE MD 0.000 . 5.000 4.842 4.483 5.076 0.076 21 0 "[ . 1 . 2 . ]" 2
702 1 112 GLU QB 1 113 ILE MG 0.000 . 3.000 2.850 2.638 3.016 0.016 25 0 "[ . 1 . 2 . ]" 2
703 1 112 GLU QG 1 113 ILE MD 0.000 . 5.000 4.333 2.491 4.458 . 0 0 "[ . 1 . 2 . ]" 2
704 1 112 GLU QG 1 113 ILE MG 0.000 . 5.000 4.425 2.497 4.559 . 0 0 "[ . 1 . 2 . ]" 2
705 1 113 ILE HA 1 113 ILE MD 0.000 . 2.500 2.373 2.237 2.405 . 0 0 "[ . 1 . 2 . ]" 2
706 1 113 ILE HA 1 113 ILE HB 0.000 . 2.500 2.371 2.352 2.449 . 0 0 "[ . 1 . 2 . ]" 2
707 1 113 ILE HA 1 113 ILE MG 0.000 . 2.500 2.387 2.247 2.420 . 0 0 "[ . 1 . 2 . ]" 2
708 1 115 LEU HA 1 115 LEU QB 0.000 . 2.500 2.505 2.440 2.530 0.030 27 0 "[ . 1 . 2 . ]" 2
709 1 115 LEU HA 1 115 LEU QD 0.000 . 2.500 1.938 1.848 1.992 . 0 0 "[ . 1 . 2 . ]" 2
710 1 115 LEU HA 1 115 LEU HG 0.000 . 3.000 2.865 2.784 3.014 0.014 10 0 "[ . 1 . 2 . ]" 2
711 1 115 LEU QD 1 116 ALA HA 0.000 . 5.000 4.792 4.420 4.954 . 0 0 "[ . 1 . 2 . ]" 2
712 1 115 LEU QD 1 116 ALA MB 0.000 . 5.000 4.041 3.803 4.241 . 0 0 "[ . 1 . 2 . ]" 2
713 1 116 ALA HA 1 116 ALA MB 0.000 . 2.500 2.121 2.111 2.129 . 0 0 "[ . 1 . 2 . ]" 2
714 1 116 ALA HA 1 120 GLN QB 0.000 . 5.000 4.026 3.545 4.232 . 0 0 "[ . 1 . 2 . ]" 2
715 1 116 ALA MB 1 120 GLN QB 0.000 . 3.000 2.677 2.366 3.006 0.006 19 0 "[ . 1 . 2 . ]" 2
716 1 116 ALA MB 1 120 GLN QG 0.000 . 5.000 4.282 3.901 4.611 . 0 0 "[ . 1 . 2 . ]" 2
717 1 117 LYS HA 1 117 LYS QB 0.000 . 2.500 2.520 2.463 2.538 0.038 19 0 "[ . 1 . 2 . ]" 2
718 1 117 LYS HA 1 117 LYS QD 0.000 . 5.000 2.892 2.148 3.772 . 0 0 "[ . 1 . 2 . ]" 2
719 1 117 LYS HA 1 117 LYS QE 0.000 . 2.500 2.153 1.877 2.498 . 0 0 "[ . 1 . 2 . ]" 2
720 1 117 LYS HA 1 117 LYS QG 0.000 . 2.500 2.359 2.141 2.526 0.026 23 0 "[ . 1 . 2 . ]" 2
721 1 117 LYS QB 1 117 LYS QG 0.000 . 2.500 2.007 1.980 2.029 . 0 0 "[ . 1 . 2 . ]" 2
722 1 117 LYS HA 1 120 GLN QB 0.000 . 5.000 4.348 4.080 4.742 . 0 0 "[ . 1 . 2 . ]" 2
723 1 117 LYS HA 1 120 GLN QG 0.000 . 5.000 4.475 4.098 4.745 . 0 0 "[ . 1 . 2 . ]" 2
724 1 117 LYS QB 1 120 GLN QB 0.000 . 5.000 2.782 2.401 3.304 . 0 0 "[ . 1 . 2 . ]" 2
725 1 117 LYS QB 1 120 GLN QG 0.000 . 3.000 1.924 1.810 2.242 . 0 0 "[ . 1 . 2 . ]" 2
726 1 117 LYS QG 1 120 GLN QB 0.000 . 5.000 4.540 4.039 5.014 0.014 25 0 "[ . 1 . 2 . ]" 2
727 1 117 LYS QG 1 120 GLN QG 0.000 . 5.000 3.480 3.215 3.853 . 0 0 "[ . 1 . 2 . ]" 2
728 1 118 ASP HA 1 121 LEU QD 0.000 . 2.500 1.865 1.832 1.899 . 0 0 "[ . 1 . 2 . ]" 2
729 1 118 ASP HA 1 121 LEU HG 0.000 . 5.000 2.124 1.995 2.351 . 0 0 "[ . 1 . 2 . ]" 2
730 1 118 ASP QB 1 121 LEU QD 0.000 . 2.500 2.557 2.528 2.595 0.095 10 0 "[ . 1 . 2 . ]" 2
731 1 120 GLN HA 1 120 GLN QG 0.000 . 2.500 2.439 2.282 2.551 0.051 15 0 "[ . 1 . 2 . ]" 2
732 1 121 LEU HA 1 121 LEU QD 0.000 . 2.500 2.150 1.938 2.282 . 0 0 "[ . 1 . 2 . ]" 2
733 1 121 LEU QB 1 121 LEU QD 0.000 . 2.500 1.907 1.882 1.945 . 0 0 "[ . 1 . 2 . ]" 2
734 1 121 LEU QB 1 121 LEU HG 0.000 . 2.500 2.402 2.351 2.430 . 0 0 "[ . 1 . 2 . ]" 2
735 1 122 LYS HA 1 122 LYS QB 0.000 . 2.500 2.502 2.416 2.515 0.015 16 0 "[ . 1 . 2 . ]" 2
736 1 122 LYS HA 1 122 LYS QD 0.000 . 2.500 2.098 1.831 2.230 . 0 0 "[ . 1 . 2 . ]" 2
737 1 122 LYS HA 1 122 LYS QE 0.000 . 3.000 2.901 1.888 3.060 0.060 25 0 "[ . 1 . 2 . ]" 2
738 1 122 LYS HA 1 122 LYS QG 0.000 . 2.500 2.524 2.478 2.725 0.225 25 0 "[ . 1 . 2 . ]" 2
739 1 122 LYS QB 1 122 LYS QG 0.000 . 2.500 2.006 1.994 2.013 . 0 0 "[ . 1 . 2 . ]" 2
740 1 122 LYS HA 1 124 HIS HD2 0.000 . 5.000 4.458 4.247 5.011 0.011 29 0 "[ . 1 . 2 . ]" 2
741 1 122 LYS QB 1 124 HIS HD2 0.000 . 5.000 2.894 2.665 3.135 . 0 0 "[ . 1 . 2 . ]" 2
742 1 122 LYS QB 1 124 HIS HE1 0.000 . 5.000 4.268 3.947 4.617 . 0 0 "[ . 1 . 2 . ]" 2
743 1 122 LYS QD 1 124 HIS HE1 0.000 . 5.000 2.701 2.094 4.442 . 0 0 "[ . 1 . 2 . ]" 2
744 1 122 LYS QG 1 124 HIS HE1 0.000 . 5.000 4.639 3.885 5.017 0.017 25 0 "[ . 1 . 2 . ]" 2
745 1 123 VAL HA 1 123 VAL HB 0.000 . 2.500 2.480 2.271 2.876 0.376 28 0 "[ . 1 . 2 . ]" 2
746 1 123 VAL HA 1 123 VAL QG 0.000 . 2.500 2.256 1.930 2.453 . 0 0 "[ . 1 . 2 . ]" 2
747 1 123 VAL HA 1 124 HIS HD2 0.000 . 5.000 3.377 2.981 4.011 . 0 0 "[ . 1 . 2 . ]" 2
748 1 123 VAL QG 1 124 HIS HD2 0.000 . 5.000 4.388 4.120 4.827 . 0 0 "[ . 1 . 2 . ]" 2
749 1 124 HIS HA 1 124 HIS HD2 0.000 . 5.000 4.134 3.990 4.372 . 0 0 "[ . 1 . 2 . ]" 2
750 1 126 PHE HA 1 126 PHE QB 0.000 . 2.500 2.222 2.159 2.533 0.033 22 0 "[ . 1 . 2 . ]" 2
751 1 44 ILE H 1 45 HIS H 3.500 3.500 7.000 3.980 3.476 4.122 0.024 19 0 "[ . 1 . 2 . ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 22
_Distance_constraint_stats_list.Viol_count 133
_Distance_constraint_stats_list.Viol_total 77.029
_Distance_constraint_stats_list.Viol_max 0.049
_Distance_constraint_stats_list.Viol_rms 0.0098
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0042
_Distance_constraint_stats_list.Viol_average_violations_only 0.0200
_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 49 GLN 0.172 0.030 19 0 "[ . 1 . 2 . ]"
1 57 LEU 0.172 0.030 19 0 "[ . 1 . 2 . ]"
1 60 VAL 0.848 0.047 6 0 "[ . 1 . 2 . ]"
1 69 LYS 0.363 0.044 12 0 "[ . 1 . 2 . ]"
1 70 LYS 0.240 0.041 6 0 "[ . 1 . 2 . ]"
1 73 VAL 0.363 0.044 12 0 "[ . 1 . 2 . ]"
1 74 LYS 0.240 0.041 6 0 "[ . 1 . 2 . ]"
1 85 THR 0.033 0.020 7 0 "[ . 1 . 2 . ]"
1 87 ILE 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 95 VAL 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 96 ILE 0.848 0.047 6 0 "[ . 1 . 2 . ]"
1 97 GLN 0.033 0.020 7 0 "[ . 1 . 2 . ]"
1 106 ILE 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 107 CYS 1.001 0.049 13 0 "[ . 1 . 2 . ]"
1 108 GLN 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 109 PHE 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 110 LEU 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 111 VAL 1.001 0.049 13 0 "[ . 1 . 2 . ]"
1 112 GLU 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 113 ILE 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 115 LEU 0.000 0.000 . 0 "[ . 1 . 2 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 49 GLN O 1 57 LEU H 0.000 . 2.500 2.425 2.178 2.530 0.030 19 0 "[ . 1 . 2 . ]" 3
2 1 49 GLN O 1 57 LEU N 2.500 2.500 3.300 3.019 2.821 3.300 . 0 0 "[ . 1 . 2 . ]" 3
3 1 69 LYS O 1 73 VAL H 0.000 . 2.500 2.331 1.928 2.471 . 0 0 "[ . 1 . 2 . ]" 3
4 1 69 LYS O 1 73 VAL N 2.500 2.500 3.300 3.260 2.866 3.344 0.044 12 0 "[ . 1 . 2 . ]" 3
5 1 70 LYS O 1 74 LYS H 0.000 . 2.500 2.170 1.613 2.541 0.041 6 0 "[ . 1 . 2 . ]" 3
6 1 70 LYS O 1 74 LYS N 2.500 2.500 3.300 2.865 2.526 3.303 0.003 24 0 "[ . 1 . 2 . ]" 3
7 1 87 ILE O 1 95 VAL H 0.000 . 2.500 1.941 1.588 2.473 . 0 0 "[ . 1 . 2 . ]" 3
8 1 87 ILE O 1 95 VAL N 2.500 2.500 3.300 2.840 2.555 3.117 . 0 0 "[ . 1 . 2 . ]" 3
9 1 60 VAL O 1 96 ILE H 0.000 . 2.500 2.500 2.353 2.541 0.041 22 0 "[ . 1 . 2 . ]" 3
10 1 60 VAL O 1 96 ILE N 2.500 2.500 3.300 3.300 3.202 3.347 0.047 6 0 "[ . 1 . 2 . ]" 3
11 1 85 THR O 1 97 GLN H 0.000 . 2.500 1.644 1.520 1.927 . 0 0 "[ . 1 . 2 . ]" 3
12 1 85 THR O 1 97 GLN N 2.500 2.500 3.300 2.521 2.480 2.578 0.020 7 0 "[ . 1 . 2 . ]" 3
13 1 106 ILE O 1 110 LEU H 0.000 . 2.500 1.737 1.601 2.041 . 0 0 "[ . 1 . 2 . ]" 3
14 1 106 ILE O 1 110 LEU N 2.500 2.500 3.300 2.702 2.568 2.993 . 0 0 "[ . 1 . 2 . ]" 3
15 1 107 CYS O 1 111 VAL H 0.000 . 2.500 2.527 2.510 2.549 0.049 13 0 "[ . 1 . 2 . ]" 3
16 1 107 CYS O 1 111 VAL N 2.500 2.500 3.300 3.302 3.261 3.324 0.024 1 0 "[ . 1 . 2 . ]" 3
17 1 108 GLN O 1 112 GLU H 0.000 . 2.500 1.916 1.720 2.104 . 0 0 "[ . 1 . 2 . ]" 3
18 1 108 GLN O 1 112 GLU N 2.500 2.500 3.300 2.684 2.501 2.864 . 0 0 "[ . 1 . 2 . ]" 3
19 1 109 PHE O 1 113 ILE H 0.000 . 2.500 1.809 1.601 1.960 . 0 0 "[ . 1 . 2 . ]" 3
20 1 109 PHE O 1 113 ILE N 2.500 2.500 3.300 2.768 2.569 2.852 . 0 0 "[ . 1 . 2 . ]" 3
21 1 110 LEU O 1 115 LEU H 0.000 . 2.500 1.919 1.853 2.018 . 0 0 "[ . 1 . 2 . ]" 3
22 1 110 LEU O 1 115 LEU N 2.500 2.500 3.300 2.585 2.526 2.742 . 0 0 "[ . 1 . 2 . ]" 3
stop_
save_
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