NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
650502 |
7but   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_7but
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 1008
_Distance_constraint_stats_list.Viol_count 1812
_Distance_constraint_stats_list.Viol_total 3802.594
_Distance_constraint_stats_list.Viol_max 0.717
_Distance_constraint_stats_list.Viol_rms 0.0385
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0094
_Distance_constraint_stats_list.Viol_average_violations_only 0.1049
_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 6 LYS 0.016 0.016 12 0 "[ . 1 . 2]"
1 7 SER 0.112 0.048 9 0 "[ . 1 . 2]"
1 8 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 TRP 2.283 0.390 11 0 "[ . 1 . 2]"
1 10 ALA 1.758 0.106 19 0 "[ . 1 . 2]"
1 11 ASN 1.490 0.098 2 0 "[ . 1 . 2]"
1 12 PRO 1.076 0.089 8 0 "[ . 1 . 2]"
1 13 LYS 1.731 0.122 1 0 "[ . 1 . 2]"
1 14 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ASN 0.655 0.122 1 0 "[ . 1 . 2]"
1 17 ALA 0.644 0.105 8 0 "[ . 1 . 2]"
1 18 PHE 5.850 0.309 13 0 "[ . 1 . 2]"
1 19 MET 5.192 0.309 13 0 "[ . 1 . 2]"
1 20 LYS 1.253 0.105 8 0 "[ . 1 . 2]"
1 21 CYS 1.371 0.205 6 0 "[ . 1 . 2]"
1 22 LEU 1.291 0.128 18 0 "[ . 1 . 2]"
1 23 ILE 3.204 0.166 6 0 "[ . 1 . 2]"
1 24 GLN 4.683 0.288 6 0 "[ . 1 . 2]"
1 25 LYS 10.404 0.602 1 8 "[+* *. - 1*** .* 2]"
1 26 ILE 6.798 0.221 15 0 "[ . 1 . 2]"
1 27 SER 11.156 0.513 15 1 "[ . 1 + 2]"
1 28 VAL 12.615 0.602 1 8 "[+* *. - 1*** .* 2]"
1 29 SER 13.244 0.538 8 2 "[ . + 1 - 2]"
1 30 PRO 0.421 0.168 7 0 "[ . 1 . 2]"
1 31 VAL 3.066 0.388 5 0 "[ . 1 . 2]"
1 32 PHE 8.317 0.538 8 1 "[ . + 1 . 2]"
1 33 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLN 0.183 0.067 18 0 "[ . 1 . 2]"
1 35 GLN 0.183 0.067 18 0 "[ . 1 . 2]"
1 36 GLU 0.430 0.061 3 0 "[ . 1 . 2]"
1 37 LYS 0.225 0.061 3 0 "[ . 1 . 2]"
1 38 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 MET 0.054 0.032 5 0 "[ . 1 . 2]"
1 41 GLU 1.826 0.105 10 0 "[ . 1 . 2]"
1 42 SER 1.854 0.105 10 0 "[ . 1 . 2]"
1 43 ILE 3.005 0.177 5 0 "[ . 1 . 2]"
1 44 VAL 0.233 0.096 12 0 "[ . 1 . 2]"
1 45 GLU 2.291 0.122 5 0 "[ . 1 . 2]"
1 46 THR 7.822 0.370 5 0 "[ . 1 . 2]"
1 47 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 MET 0.479 0.122 5 0 "[ . 1 . 2]"
1 49 SER 7.657 0.370 5 0 "[ . 1 . 2]"
1 50 ALA 1.433 0.087 12 0 "[ . 1 . 2]"
1 51 ILE 2.716 0.331 4 0 "[ . 1 . 2]"
1 52 SER 2.301 0.331 4 0 "[ . 1 . 2]"
1 53 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 VAL 2.408 0.130 3 0 "[ . 1 . 2]"
1 55 SER 1.837 0.130 3 0 "[ . 1 . 2]"
1 58 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ALA 2.106 0.117 8 0 "[ . 1 . 2]"
1 64 THR 3.568 0.131 20 0 "[ . 1 . 2]"
1 65 LEU 3.907 0.131 20 0 "[ . 1 . 2]"
1 66 GLN 4.836 0.240 11 0 "[ . 1 . 2]"
1 67 ALA 1.529 0.224 11 0 "[ . 1 . 2]"
1 68 MET 4.258 0.324 18 0 "[ . 1 . 2]"
1 69 ASN 2.484 0.390 11 0 "[ . 1 . 2]"
1 70 MET 6.556 0.240 11 0 "[ . 1 . 2]"
1 71 ALA 7.320 0.324 18 0 "[ . 1 . 2]"
1 72 PHE 4.594 0.312 18 0 "[ . 1 . 2]"
1 73 ALA 4.880 0.312 18 0 "[ . 1 . 2]"
1 74 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 MET 0.465 0.132 6 0 "[ . 1 . 2]"
1 77 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLU 1.863 0.107 6 0 "[ . 1 . 2]"
1 79 LEU 3.174 0.107 6 0 "[ . 1 . 2]"
1 80 VAL 1.531 0.191 15 0 "[ . 1 . 2]"
1 81 ILE 1.595 0.186 6 0 "[ . 1 . 2]"
1 82 ALA 3.387 0.186 6 0 "[ . 1 . 2]"
1 83 GLU 3.590 0.127 6 0 "[ . 1 . 2]"
1 84 ASP 1.014 0.085 13 0 "[ . 1 . 2]"
1 85 VAL 1.502 0.092 19 0 "[ . 1 . 2]"
1 86 ASN 3.486 0.125 13 0 "[ . 1 . 2]"
1 87 ASN 5.200 0.226 15 0 "[ . 1 . 2]"
1 88 PRO 0.076 0.013 16 0 "[ . 1 . 2]"
1 89 ASP 4.336 0.226 15 0 "[ . 1 . 2]"
1 90 SER 2.251 0.071 6 0 "[ . 1 . 2]"
1 91 ILE 5.537 0.717 16 1 "[ . 1 .+ 2]"
1 92 ALA 1.940 0.103 17 0 "[ . 1 . 2]"
1 93 GLU 2.288 0.103 17 0 "[ . 1 . 2]"
1 94 LYS 0.017 0.017 7 0 "[ . 1 . 2]"
1 95 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 GLU 0.332 0.055 14 0 "[ . 1 . 2]"
1 97 ALA 2.143 0.096 13 0 "[ . 1 . 2]"
1 98 LEU 7.121 0.223 11 0 "[ . 1 . 2]"
1 99 SER 3.262 0.097 19 0 "[ . 1 . 2]"
1 100 GLN 3.928 0.100 6 0 "[ . 1 . 2]"
1 101 ALA 7.767 0.223 11 0 "[ . 1 . 2]"
1 102 LEU 2.447 0.120 2 0 "[ . 1 . 2]"
1 103 LYS 2.016 0.114 18 0 "[ . 1 . 2]"
1 104 GLN 5.280 0.137 5 0 "[ . 1 . 2]"
1 105 CYS 1.814 0.096 20 0 "[ . 1 . 2]"
1 106 PHE 1.450 0.170 16 0 "[ . 1 . 2]"
1 107 ARG 0.943 0.137 5 0 "[ . 1 . 2]"
1 108 SER 1.708 0.134 12 0 "[ . 1 . 2]"
1 109 THR 6.767 0.256 9 0 "[ . 1 . 2]"
1 110 MET 2.477 0.134 12 0 "[ . 1 . 2]"
1 111 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 THR 3.785 0.331 2 0 "[ . 1 . 2]"
1 113 VAL 1.731 0.213 4 0 "[ . 1 . 2]"
1 114 ASN 0.134 0.083 12 0 "[ . 1 . 2]"
1 115 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 GLN 0.671 0.132 20 0 "[ . 1 . 2]"
1 117 PHE 4.832 0.274 10 0 "[ . 1 . 2]"
1 118 ILE 6.644 0.274 10 0 "[ . 1 . 2]"
1 119 THR 1.069 0.132 20 0 "[ . 1 . 2]"
1 120 GLU 0.174 0.094 1 0 "[ . 1 . 2]"
1 121 ILE 6.426 0.184 8 0 "[ . 1 . 2]"
1 122 LYS 4.352 0.114 18 0 "[ . 1 . 2]"
1 123 HIS 1.858 0.108 17 0 "[ . 1 . 2]"
1 124 LEU 2.633 0.122 3 0 "[ . 1 . 2]"
1 125 MET 3.944 0.160 12 0 "[ . 1 . 2]"
1 126 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 MET 2.945 0.122 12 0 "[ . 1 . 2]"
1 128 PHE 4.043 0.160 12 0 "[ . 1 . 2]"
1 129 ALA 1.688 0.092 16 0 "[ . 1 . 2]"
1 130 ALA 4.280 0.101 19 0 "[ . 1 . 2]"
1 131 GLU 3.626 0.101 19 0 "[ . 1 . 2]"
1 132 ALA 1.668 0.091 17 0 "[ . 1 . 2]"
1 133 ALA 5.051 0.290 8 0 "[ . 1 . 2]"
1 134 GLN 0.006 0.006 16 0 "[ . 1 . 2]"
1 135 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 136 ALA 5.046 0.290 8 0 "[ . 1 . 2]"
1 137 ALA 0.006 0.006 16 0 "[ . 1 . 2]"
1 138 ALA 1.610 0.102 9 0 "[ . 1 . 2]"
1 139 GLY 2.116 0.122 10 0 "[ . 1 . 2]"
1 140 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 141 ASN 0.506 0.122 10 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 LYS HA 1 7 SER H 2.900 . 2.900 2.371 2.166 2.916 0.016 12 0 "[ . 1 . 2]" 1
2 1 7 SER HA 1 9 TRP H 5.000 . 5.000 4.619 3.473 5.048 0.048 9 0 "[ . 1 . 2]" 1
3 1 7 SER QB 1 10 ALA H 5.000 . 6.000 3.386 2.478 3.913 . 0 0 "[ . 1 . 2]" 1
4 1 7 SER QB 1 11 ASN H 5.000 . 6.000 2.440 2.084 2.771 . 0 0 "[ . 1 . 2]" 1
5 1 7 SER QB 1 14 LYS H 5.000 . 6.000 5.533 5.423 5.588 . 0 0 "[ . 1 . 2]" 1
6 1 7 SER H 1 7 SER QB 3.500 . 4.100 2.645 2.473 2.736 . 0 0 "[ . 1 . 2]" 1
7 1 7 SER QB 1 9 TRP H 5.000 . 6.000 4.833 3.803 5.253 . 0 0 "[ . 1 . 2]" 1
8 1 8 PRO HA 1 10 ALA H 5.000 . 5.000 4.410 4.303 4.743 . 0 0 "[ . 1 . 2]" 1
9 1 8 PRO HA 1 9 TRP H 5.000 . 5.000 3.608 3.577 3.632 . 0 0 "[ . 1 . 2]" 1
10 1 8 PRO QB 1 9 TRP H 5.000 . 6.000 2.356 2.103 3.201 . 0 0 "[ . 1 . 2]" 1
11 1 9 TRP HA 1 10 ALA H 5.000 . 5.000 3.400 3.354 3.549 . 0 0 "[ . 1 . 2]" 1
12 1 9 TRP QB 1 10 ALA H 5.000 . 6.000 3.279 2.863 3.415 . 0 0 "[ . 1 . 2]" 1
13 1 9 TRP H 1 9 TRP QB 3.500 . 4.100 2.669 2.417 2.922 . 0 0 "[ . 1 . 2]" 1
14 1 9 TRP HD1 1 69 ASN H 5.000 . 5.000 4.163 2.849 5.149 0.149 8 0 "[ . 1 . 2]" 1
15 1 9 TRP HE1 1 69 ASN HA 3.500 . 3.500 3.169 2.556 3.603 0.103 12 0 "[ . 1 . 2]" 1
16 1 9 TRP HE1 1 69 ASN QB 5.000 . 6.000 2.799 2.130 3.500 . 0 0 "[ . 1 . 2]" 1
17 1 9 TRP HE1 1 69 ASN H 5.000 . 5.000 4.941 4.409 5.390 0.390 11 0 "[ . 1 . 2]" 1
18 1 9 TRP HE1 1 72 PHE QE 3.500 . 5.500 3.845 2.278 4.759 . 0 0 "[ . 1 . 2]" 1
19 1 9 TRP HE1 1 117 PHE QD 3.500 . 5.500 4.204 3.810 4.915 . 0 0 "[ . 1 . 2]" 1
20 1 9 TRP H 1 10 ALA HA 5.000 . 5.000 4.631 4.486 4.775 . 0 0 "[ . 1 . 2]" 1
21 1 9 TRP H 1 10 ALA MB 3.500 . 5.000 3.857 3.713 3.940 . 0 0 "[ . 1 . 2]" 1
22 1 9 TRP H 1 10 ALA H 2.900 . 2.900 2.131 1.986 2.224 . 0 0 "[ . 1 . 2]" 1
23 1 9 TRP H 1 11 ASN H 5.000 . 5.000 4.232 3.817 4.419 . 0 0 "[ . 1 . 2]" 1
24 1 9 TRP H 1 65 LEU QD 5.000 . 7.400 3.007 2.076 4.413 . 0 0 "[ . 1 . 2]" 1
25 1 9 TRP H 1 69 ASN QB 5.000 . 6.000 5.389 5.134 5.526 . 0 0 "[ . 1 . 2]" 1
26 1 10 ALA H 1 10 ALA HA 2.900 . 2.900 2.861 2.846 2.943 0.043 11 0 "[ . 1 . 2]" 1
27 1 10 ALA HA 1 11 ASN H 3.500 . 3.500 3.564 3.395 3.598 0.098 2 0 "[ . 1 . 2]" 1
28 1 10 ALA H 1 10 ALA MB 2.900 . 4.000 2.216 2.111 2.313 . 0 0 "[ . 1 . 2]" 1
29 1 10 ALA MB 1 11 ASN H 2.900 . 4.400 2.718 2.540 3.258 . 0 0 "[ . 1 . 2]" 1
30 1 10 ALA H 1 11 ASN H 2.900 . 2.900 2.609 2.346 2.685 . 0 0 "[ . 1 . 2]" 1
31 1 10 ALA H 1 65 LEU QD 5.000 . 7.400 2.721 1.996 3.806 . 0 0 "[ . 1 . 2]" 1
32 1 11 ASN HA 1 13 LYS H 5.000 . 5.000 3.764 3.623 3.881 . 0 0 "[ . 1 . 2]" 1
33 1 11 ASN H 1 11 ASN QB 2.900 . 3.500 2.398 2.319 2.563 . 0 0 "[ . 1 . 2]" 1
34 1 11 ASN QB 1 14 LYS H 5.000 . 6.000 2.720 2.403 3.089 . 0 0 "[ . 1 . 2]" 1
35 1 11 ASN H 1 14 LYS QB 5.000 . 6.000 3.827 3.428 4.311 . 0 0 "[ . 1 . 2]" 1
36 1 12 PRO HA 1 13 LYS H 3.500 . 3.500 3.554 3.520 3.589 0.089 8 0 "[ . 1 . 2]" 1
37 1 12 PRO QB 1 13 LYS H 5.000 . 6.000 3.187 2.674 3.439 . 0 0 "[ . 1 . 2]" 1
38 1 12 PRO QG 1 13 LYS H 3.500 . 4.500 2.914 2.482 3.978 . 0 0 "[ . 1 . 2]" 1
39 1 13 LYS HA 1 14 LYS H 5.000 . 5.000 3.597 3.574 3.622 . 0 0 "[ . 1 . 2]" 1
40 1 13 LYS HA 1 15 ALA H 5.000 . 5.000 4.431 4.288 4.499 . 0 0 "[ . 1 . 2]" 1
41 1 13 LYS HA 1 16 ASN H 3.500 . 3.500 3.507 3.390 3.622 0.122 1 0 "[ . 1 . 2]" 1
42 1 13 LYS H 1 13 LYS QB 2.900 . 3.500 2.383 2.261 2.501 . 0 0 "[ . 1 . 2]" 1
43 1 13 LYS QB 1 14 LYS H 3.500 . 4.500 2.497 2.397 2.556 . 0 0 "[ . 1 . 2]" 1
44 1 13 LYS H 1 13 LYS QD 3.500 . 4.500 4.073 3.573 4.408 . 0 0 "[ . 1 . 2]" 1
45 1 13 LYS H 1 13 LYS QG 3.500 . 4.500 3.102 2.289 4.100 . 0 0 "[ . 1 . 2]" 1
46 1 13 LYS QG 1 14 LYS H 3.500 . 4.500 3.861 3.546 4.120 . 0 0 "[ . 1 . 2]" 1
47 1 13 LYS H 1 14 LYS H 2.900 . 2.900 2.583 2.485 2.681 . 0 0 "[ . 1 . 2]" 1
48 1 13 LYS H 1 15 ALA H 5.000 . 5.000 3.818 3.692 3.951 . 0 0 "[ . 1 . 2]" 1
49 1 14 LYS HA 1 15 ALA H 5.000 . 5.000 3.561 3.517 3.579 . 0 0 "[ . 1 . 2]" 1
50 1 14 LYS HA 1 17 ALA H 3.500 . 3.500 3.342 3.186 3.423 . 0 0 "[ . 1 . 2]" 1
51 1 14 LYS H 1 14 LYS QB 2.900 . 3.500 2.410 2.304 2.521 . 0 0 "[ . 1 . 2]" 1
52 1 14 LYS QB 1 15 ALA H 3.500 . 4.500 2.629 2.542 2.908 . 0 0 "[ . 1 . 2]" 1
53 1 14 LYS QE 1 15 ALA H 5.000 . 6.000 5.323 4.721 5.599 . 0 0 "[ . 1 . 2]" 1
54 1 14 LYS H 1 14 LYS QG 3.500 . 4.500 2.964 2.217 4.104 . 0 0 "[ . 1 . 2]" 1
55 1 14 LYS QG 1 15 ALA H 5.000 . 6.000 4.024 3.799 4.242 . 0 0 "[ . 1 . 2]" 1
56 1 14 LYS H 1 15 ALA H 2.900 . 2.900 2.464 2.302 2.524 . 0 0 "[ . 1 . 2]" 1
57 1 15 ALA H 1 15 ALA HA 2.900 . 2.900 2.843 2.830 2.852 . 0 0 "[ . 1 . 2]" 1
58 1 15 ALA HA 1 16 ASN H 5.000 . 5.000 3.605 3.587 3.628 . 0 0 "[ . 1 . 2]" 1
59 1 15 ALA HA 1 18 PHE H 5.000 . 5.000 3.388 3.212 3.530 . 0 0 "[ . 1 . 2]" 1
60 1 15 ALA H 1 15 ALA MB 2.900 . 4.000 2.295 2.243 2.313 . 0 0 "[ . 1 . 2]" 1
61 1 15 ALA MB 1 16 ASN H 2.900 . 4.400 2.544 2.464 2.617 . 0 0 "[ . 1 . 2]" 1
62 1 15 ALA H 1 16 ASN H 3.500 . 3.500 2.699 2.647 2.790 . 0 0 "[ . 1 . 2]" 1
63 1 15 ALA H 1 17 ALA H 5.000 . 5.000 4.182 4.070 4.290 . 0 0 "[ . 1 . 2]" 1
64 1 16 ASN H 1 16 ASN HA 2.900 . 2.900 2.852 2.835 2.860 . 0 0 "[ . 1 . 2]" 1
65 1 16 ASN HA 1 17 ALA H 5.000 . 5.000 3.609 3.597 3.624 . 0 0 "[ . 1 . 2]" 1
66 1 16 ASN HA 1 19 MET H 5.000 . 5.000 3.514 3.318 3.651 . 0 0 "[ . 1 . 2]" 1
67 1 16 ASN H 1 16 ASN QB 2.900 . 3.500 2.388 2.290 2.456 . 0 0 "[ . 1 . 2]" 1
68 1 16 ASN QB 1 17 ALA H 2.900 . 3.900 2.580 2.445 2.685 . 0 0 "[ . 1 . 2]" 1
69 1 16 ASN H 1 17 ALA H 2.900 . 2.900 2.688 2.638 2.744 . 0 0 "[ . 1 . 2]" 1
70 1 16 ASN H 1 19 MET ME 3.500 . 5.000 3.919 3.572 4.295 . 0 0 "[ . 1 . 2]" 1
71 1 17 ALA H 1 17 ALA HA 2.900 . 2.900 2.863 2.855 2.879 . 0 0 "[ . 1 . 2]" 1
72 1 17 ALA HA 1 20 LYS H 3.500 . 3.500 3.500 3.333 3.605 0.105 8 0 "[ . 1 . 2]" 1
73 1 17 ALA H 1 17 ALA MB 2.900 . 4.000 2.300 2.216 2.313 . 0 0 "[ . 1 . 2]" 1
74 1 17 ALA MB 1 18 PHE H 2.900 . 4.400 2.531 2.459 2.622 . 0 0 "[ . 1 . 2]" 1
75 1 17 ALA H 1 109 THR MG 5.000 . 6.500 4.694 3.969 5.297 . 0 0 "[ . 1 . 2]" 1
76 1 17 ALA H 1 18 PHE H 2.900 . 2.900 2.620 2.578 2.652 . 0 0 "[ . 1 . 2]" 1
77 1 17 ALA H 1 19 MET H 5.000 . 5.000 4.208 4.019 4.324 . 0 0 "[ . 1 . 2]" 1
78 1 18 PHE HA 1 19 MET H 5.000 . 5.000 3.593 3.544 3.633 . 0 0 "[ . 1 . 2]" 1
79 1 18 PHE HA 1 21 CYS H 3.500 . 3.500 3.561 3.430 3.705 0.205 6 0 "[ . 1 . 2]" 1
80 1 18 PHE HA 1 22 LEU H 5.000 . 5.000 4.278 4.134 4.503 . 0 0 "[ . 1 . 2]" 1
81 1 18 PHE H 1 18 PHE QB 2.900 . 3.500 2.280 2.236 2.303 . 0 0 "[ . 1 . 2]" 1
82 1 18 PHE QB 1 19 MET H 3.500 . 4.500 2.412 2.359 2.553 . 0 0 "[ . 1 . 2]" 1
83 1 18 PHE H 1 18 PHE HD1 5.000 . 5.000 4.623 4.472 4.770 . 0 0 "[ . 1 . 2]" 1
84 1 18 PHE HD1 1 19 MET H 5.000 . 5.000 5.224 5.128 5.309 0.309 13 0 "[ . 1 . 2]" 1
85 1 18 PHE H 1 109 THR MG 5.000 . 6.500 3.460 2.669 4.106 . 0 0 "[ . 1 . 2]" 1
86 1 18 PHE H 1 19 MET H 3.500 . 3.500 2.700 2.543 2.766 . 0 0 "[ . 1 . 2]" 1
87 1 19 MET HA 1 20 LYS H 5.000 . 5.000 3.601 3.574 3.628 . 0 0 "[ . 1 . 2]" 1
88 1 19 MET HA 1 22 LEU H 3.500 . 3.500 3.513 3.411 3.628 0.128 18 0 "[ . 1 . 2]" 1
89 1 19 MET H 1 19 MET QB 3.500 . 4.100 2.357 2.131 2.766 . 0 0 "[ . 1 . 2]" 1
90 1 19 MET QB 1 20 LYS H 5.000 . 6.000 2.622 2.367 3.523 . 0 0 "[ . 1 . 2]" 1
91 1 19 MET H 1 19 MET ME 3.500 . 5.000 3.563 3.322 4.057 . 0 0 "[ . 1 . 2]" 1
92 1 19 MET ME 1 20 LYS H 5.000 . 6.500 4.218 3.289 4.768 . 0 0 "[ . 1 . 2]" 1
93 1 20 LYS HA 1 21 CYS H 5.000 . 5.000 3.606 3.553 3.658 . 0 0 "[ . 1 . 2]" 1
94 1 20 LYS HA 1 22 LEU H 5.000 . 5.000 4.445 4.152 4.764 . 0 0 "[ . 1 . 2]" 1
95 1 20 LYS HA 1 23 ILE H 5.000 . 5.000 3.395 3.210 3.729 . 0 0 "[ . 1 . 2]" 1
96 1 20 LYS HA 1 24 GLN H 5.000 . 5.000 3.662 3.405 3.954 . 0 0 "[ . 1 . 2]" 1
97 1 20 LYS H 1 20 LYS QB 2.900 . 3.500 2.373 2.261 2.461 . 0 0 "[ . 1 . 2]" 1
98 1 20 LYS QB 1 21 CYS H 3.500 . 4.500 2.660 2.552 2.722 . 0 0 "[ . 1 . 2]" 1
99 1 20 LYS H 1 20 LYS QG 2.900 . 3.900 3.029 2.333 3.984 0.084 15 0 "[ . 1 . 2]" 1
100 1 20 LYS QG 1 21 CYS H 3.500 . 4.500 4.015 3.654 4.232 . 0 0 "[ . 1 . 2]" 1
101 1 20 LYS H 1 21 CYS H 2.900 . 2.900 2.707 2.605 2.860 . 0 0 "[ . 1 . 2]" 1
102 1 20 LYS H 1 22 LEU H 5.000 . 5.000 4.270 4.067 4.478 . 0 0 "[ . 1 . 2]" 1
103 1 20 LYS H 1 23 ILE H 5.000 . 5.000 4.698 4.598 4.842 . 0 0 "[ . 1 . 2]" 1
104 1 21 CYS H 1 21 CYS HA 2.900 . 2.900 2.861 2.834 2.890 . 0 0 "[ . 1 . 2]" 1
105 1 21 CYS HA 1 24 GLN H 5.000 . 5.000 3.553 3.245 3.925 . 0 0 "[ . 1 . 2]" 1
106 1 21 CYS QB 1 105 CYS H 5.000 . 6.000 5.214 4.832 5.411 . 0 0 "[ . 1 . 2]" 1
107 1 21 CYS H 1 21 CYS QB 2.900 . 3.500 2.476 2.304 2.702 . 0 0 "[ . 1 . 2]" 1
108 1 21 CYS QB 1 22 LEU H 3.500 . 4.500 3.111 2.395 3.623 . 0 0 "[ . 1 . 2]" 1
109 1 21 CYS H 1 109 THR MG 5.000 . 6.500 5.162 4.715 5.506 . 0 0 "[ . 1 . 2]" 1
110 1 21 CYS H 1 22 LEU H 2.900 . 2.900 2.702 2.581 2.871 . 0 0 "[ . 1 . 2]" 1
111 1 21 CYS H 1 23 ILE H 5.000 . 5.000 4.105 3.998 4.229 . 0 0 "[ . 1 . 2]" 1
112 1 22 LEU HA 1 25 LYS H 5.000 . 5.000 3.451 3.323 3.679 . 0 0 "[ . 1 . 2]" 1
113 1 22 LEU H 1 22 LEU QB 2.900 . 3.500 2.437 2.424 2.456 . 0 0 "[ . 1 . 2]" 1
114 1 22 LEU QB 1 23 ILE H 3.500 . 4.500 2.601 2.550 2.657 . 0 0 "[ . 1 . 2]" 1
115 1 22 LEU H 1 22 LEU HG 2.900 . 2.900 2.477 2.389 2.545 . 0 0 "[ . 1 . 2]" 1
116 1 22 LEU HG 1 23 ILE H 5.000 . 5.000 4.429 4.384 4.476 . 0 0 "[ . 1 . 2]" 1
117 1 22 LEU H 1 23 ILE H 3.500 . 3.500 2.572 2.486 2.641 . 0 0 "[ . 1 . 2]" 1
118 1 22 LEU H 1 24 GLN H 5.000 . 5.000 4.136 3.929 4.311 . 0 0 "[ . 1 . 2]" 1
119 1 23 ILE HA 1 24 GLN H 5.000 . 5.000 3.601 3.568 3.627 . 0 0 "[ . 1 . 2]" 1
120 1 23 ILE HA 1 26 ILE H 5.000 . 5.000 3.515 3.321 3.698 . 0 0 "[ . 1 . 2]" 1
121 1 23 ILE HA 1 27 SER H 5.000 . 5.000 4.162 3.960 4.496 . 0 0 "[ . 1 . 2]" 1
122 1 23 ILE H 1 23 ILE HB 2.900 . 2.900 2.473 2.376 2.703 . 0 0 "[ . 1 . 2]" 1
123 1 23 ILE HB 1 24 GLN H 3.500 . 3.500 2.538 2.451 2.641 . 0 0 "[ . 1 . 2]" 1
124 1 23 ILE HB 1 25 LYS H 5.000 . 5.000 4.945 4.872 4.988 . 0 0 "[ . 1 . 2]" 1
125 1 23 ILE H 1 23 ILE MD 3.500 . 5.000 3.371 2.750 3.549 . 0 0 "[ . 1 . 2]" 1
126 1 23 ILE MD 1 24 GLN H 5.000 . 6.500 4.559 4.390 4.730 . 0 0 "[ . 1 . 2]" 1
127 1 23 ILE H 1 23 ILE HG13 3.500 . 3.500 2.931 2.243 3.662 0.162 13 0 "[ . 1 . 2]" 1
128 1 23 ILE HG13 1 24 GLN H 5.000 . 5.000 4.591 4.324 4.901 . 0 0 "[ . 1 . 2]" 1
129 1 23 ILE H 1 23 ILE HG12 3.500 . 3.500 2.901 2.033 3.666 0.166 6 0 "[ . 1 . 2]" 1
130 1 23 ILE HG12 1 24 GLN H 5.000 . 5.000 4.610 3.848 5.075 0.075 12 0 "[ . 1 . 2]" 1
131 1 23 ILE H 1 23 ILE MG 3.500 . 5.000 3.761 3.737 3.802 . 0 0 "[ . 1 . 2]" 1
132 1 23 ILE MG 1 24 GLN H 5.000 . 6.500 3.303 3.146 3.688 . 0 0 "[ . 1 . 2]" 1
133 1 23 ILE H 1 24 GLN H 3.500 . 3.500 2.658 2.489 2.759 . 0 0 "[ . 1 . 2]" 1
134 1 23 ILE H 1 25 LYS H 5.000 . 5.000 4.056 3.958 4.135 . 0 0 "[ . 1 . 2]" 1
135 1 24 GLN H 1 24 GLN HA 2.900 . 2.900 2.859 2.845 2.873 . 0 0 "[ . 1 . 2]" 1
136 1 24 GLN HA 1 27 SER H 2.900 . 2.900 3.107 3.029 3.188 0.288 6 0 "[ . 1 . 2]" 1
137 1 24 GLN H 1 24 GLN QB 2.900 . 3.500 2.361 2.309 2.454 . 0 0 "[ . 1 . 2]" 1
138 1 24 GLN QB 1 25 LYS H 3.500 . 4.500 2.685 2.630 2.766 . 0 0 "[ . 1 . 2]" 1
139 1 24 GLN H 1 24 GLN QG 3.500 . 4.500 3.499 2.436 4.141 . 0 0 "[ . 1 . 2]" 1
140 1 24 GLN QG 1 25 LYS H 5.000 . 6.000 3.999 3.798 4.296 . 0 0 "[ . 1 . 2]" 1
141 1 24 GLN H 1 25 LYS H 2.900 . 2.900 2.658 2.605 2.702 . 0 0 "[ . 1 . 2]" 1
142 1 25 LYS H 1 25 LYS HA 2.900 . 2.900 2.847 2.843 2.853 . 0 0 "[ . 1 . 2]" 1
143 1 25 LYS HA 1 26 ILE H 3.500 . 3.500 3.579 3.565 3.590 0.090 13 0 "[ . 1 . 2]" 1
144 1 25 LYS HA 1 28 VAL H 2.900 . 2.900 3.341 3.068 3.502 0.602 1 8 "[+* *. - 1*** .* 2]" 1
145 1 25 LYS H 1 25 LYS QB 2.900 . 3.500 2.360 2.316 2.452 . 0 0 "[ . 1 . 2]" 1
146 1 25 LYS QB 1 26 ILE H 3.500 . 4.500 2.593 2.456 2.753 . 0 0 "[ . 1 . 2]" 1
147 1 25 LYS QD 1 101 ALA H 5.000 . 6.000 5.178 4.845 5.503 . 0 0 "[ . 1 . 2]" 1
148 1 25 LYS QD 1 26 ILE H 5.000 . 6.000 4.763 4.535 4.963 . 0 0 "[ . 1 . 2]" 1
149 1 25 LYS QD 1 28 VAL H 5.000 . 6.000 4.571 4.212 4.897 . 0 0 "[ . 1 . 2]" 1
150 1 25 LYS QD 1 29 SER H 5.000 . 6.000 5.258 4.776 5.631 . 0 0 "[ . 1 . 2]" 1
151 1 25 LYS QG 1 101 ALA H 5.000 . 6.000 4.420 3.712 5.144 . 0 0 "[ . 1 . 2]" 1
152 1 25 LYS H 1 25 LYS QG 3.500 . 4.500 3.557 2.464 4.132 . 0 0 "[ . 1 . 2]" 1
153 1 25 LYS H 1 101 ALA MB 5.000 . 6.500 4.749 4.222 5.041 . 0 0 "[ . 1 . 2]" 1
154 1 25 LYS H 1 26 ILE H 2.900 . 2.900 2.667 2.626 2.703 . 0 0 "[ . 1 . 2]" 1
155 1 26 ILE HA 1 27 SER H 5.000 . 5.000 3.592 3.571 3.630 . 0 0 "[ . 1 . 2]" 1
156 1 26 ILE HA 1 28 VAL H 5.000 . 5.000 4.225 3.779 4.514 . 0 0 "[ . 1 . 2]" 1
157 1 26 ILE HA 1 29 SER H 3.500 . 3.500 3.566 3.453 3.721 0.221 15 0 "[ . 1 . 2]" 1
158 1 26 ILE H 1 26 ILE HB 2.900 . 2.900 2.455 2.388 2.539 . 0 0 "[ . 1 . 2]" 1
159 1 26 ILE HB 1 27 SER H 3.500 . 3.500 2.624 2.568 2.709 . 0 0 "[ . 1 . 2]" 1
160 1 26 ILE H 1 26 ILE MD 3.500 . 5.000 3.492 3.264 3.534 . 0 0 "[ . 1 . 2]" 1
161 1 26 ILE H 1 26 ILE HG13 3.500 . 3.500 2.480 2.252 3.653 0.153 7 0 "[ . 1 . 2]" 1
162 1 26 ILE HG13 1 27 SER H 5.000 . 5.000 4.428 4.279 4.997 . 0 0 "[ . 1 . 2]" 1
163 1 26 ILE H 1 26 ILE HG12 3.500 . 3.500 3.418 2.161 3.664 0.164 8 0 "[ . 1 . 2]" 1
164 1 26 ILE HG12 1 27 SER H 5.000 . 5.000 4.946 4.188 5.119 0.119 6 0 "[ . 1 . 2]" 1
165 1 26 ILE H 1 26 ILE MG 3.500 . 5.000 3.769 3.747 3.785 . 0 0 "[ . 1 . 2]" 1
166 1 26 ILE MG 1 27 SER H 3.500 . 5.000 3.329 3.224 3.515 . 0 0 "[ . 1 . 2]" 1
167 1 26 ILE H 1 101 ALA MB 5.000 . 6.500 4.969 4.142 5.526 . 0 0 "[ . 1 . 2]" 1
168 1 26 ILE H 1 27 SER H 2.900 . 2.900 2.608 2.524 2.710 . 0 0 "[ . 1 . 2]" 1
169 1 27 SER H 1 27 SER HA 2.900 . 2.900 2.857 2.831 2.932 0.032 6 0 "[ . 1 . 2]" 1
170 1 27 SER HA 1 28 VAL H 3.500 . 3.500 3.553 3.417 3.613 0.113 9 0 "[ . 1 . 2]" 1
171 1 27 SER HA 1 29 SER H 3.500 . 3.500 3.731 3.513 4.013 0.513 15 1 "[ . 1 + 2]" 1
172 1 27 SER H 1 28 VAL H 3.500 . 3.500 2.686 2.501 2.771 . 0 0 "[ . 1 . 2]" 1
173 1 27 SER H 1 29 SER H 5.000 . 5.000 4.067 3.808 4.400 . 0 0 "[ . 1 . 2]" 1
174 1 27 SER H 1 40 MET ME 5.000 . 6.500 2.935 2.571 3.975 . 0 0 "[ . 1 . 2]" 1
175 1 28 VAL H 1 28 VAL HA 2.900 . 2.900 2.911 2.846 2.963 0.063 19 0 "[ . 1 . 2]" 1
176 1 28 VAL HA 1 29 SER H 3.500 . 3.500 3.368 3.067 3.605 0.105 8 0 "[ . 1 . 2]" 1
177 1 28 VAL H 1 28 VAL HB 3.500 . 3.500 2.756 2.368 3.713 0.213 19 0 "[ . 1 . 2]" 1
178 1 28 VAL HB 1 29 SER H 5.000 . 5.000 3.823 2.679 4.529 . 0 0 "[ . 1 . 2]" 1
179 1 28 VAL H 1 28 VAL QG 2.900 . 4.600 2.218 1.857 2.606 . 0 0 "[ . 1 . 2]" 1
180 1 28 VAL QG 1 29 SER H 2.900 . 5.300 3.112 2.523 3.742 . 0 0 "[ . 1 . 2]" 1
181 1 28 VAL H 1 29 SER HA 5.000 . 5.000 4.957 4.721 5.196 0.196 8 0 "[ . 1 . 2]" 1
182 1 28 VAL H 1 29 SER H 2.900 . 2.900 2.593 2.304 2.741 . 0 0 "[ . 1 . 2]" 1
183 1 29 SER H 1 29 SER HA 2.900 . 2.900 2.850 2.291 2.995 0.095 5 0 "[ . 1 . 2]" 1
184 1 29 SER HA 1 31 VAL H 5.000 . 5.000 3.587 3.190 4.175 . 0 0 "[ . 1 . 2]" 1
185 1 29 SER HA 1 32 PHE H 5.000 . 5.000 4.747 3.169 5.182 0.182 17 0 "[ . 1 . 2]" 1
186 1 29 SER H 1 29 SER QB 2.900 . 3.500 2.585 2.346 3.359 . 0 0 "[ . 1 . 2]" 1
187 1 29 SER QB 1 31 VAL H 5.000 . 6.000 3.192 2.264 5.014 . 0 0 "[ . 1 . 2]" 1
188 1 29 SER H 1 32 PHE QB 5.000 . 6.000 5.367 5.084 5.559 . 0 0 "[ . 1 . 2]" 1
189 1 29 SER H 1 32 PHE HZ 5.000 . 5.000 5.214 4.914 5.538 0.538 8 1 "[ . + 1 . 2]" 1
190 1 30 PRO HA 1 31 VAL H 5.000 . 5.000 3.395 2.752 3.559 . 0 0 "[ . 1 . 2]" 1
191 1 30 PRO HA 1 32 PHE H 5.000 . 5.000 4.238 3.602 5.168 0.168 7 0 "[ . 1 . 2]" 1
192 1 30 PRO QB 1 31 VAL H 3.500 . 4.500 3.541 2.840 4.054 . 0 0 "[ . 1 . 2]" 1
193 1 31 VAL H 1 31 VAL HA 2.900 . 2.900 2.884 2.848 2.980 0.080 17 0 "[ . 1 . 2]" 1
194 1 31 VAL HA 1 32 PHE H 3.500 . 3.500 3.584 3.518 3.617 0.117 11 0 "[ . 1 . 2]" 1
195 1 31 VAL H 1 31 VAL HB 2.900 . 2.900 2.525 2.342 2.945 0.045 13 0 "[ . 1 . 2]" 1
196 1 31 VAL HB 1 32 PHE H 3.500 . 3.500 2.752 2.519 3.888 0.388 5 0 "[ . 1 . 2]" 1
197 1 31 VAL H 1 31 VAL QG 2.900 . 4.600 2.278 2.111 2.814 . 0 0 "[ . 1 . 2]" 1
198 1 31 VAL QG 1 32 PHE H 3.500 . 5.900 3.099 2.155 3.327 . 0 0 "[ . 1 . 2]" 1
199 1 31 VAL QG 1 97 ALA H 5.000 . 7.400 5.325 4.879 5.554 . 0 0 "[ . 1 . 2]" 1
200 1 31 VAL H 1 32 PHE H 2.900 . 2.900 2.418 1.663 2.663 0.137 13 0 "[ . 1 . 2]" 1
201 1 32 PHE H 1 32 PHE QB 2.900 . 3.500 2.606 2.216 3.304 . 0 0 "[ . 1 . 2]" 1
202 1 33 PRO HA 1 34 GLN H 2.900 . 2.900 2.301 2.207 2.467 . 0 0 "[ . 1 . 2]" 1
203 1 33 PRO QB 1 34 GLN H 5.000 . 6.000 3.014 2.707 3.995 . 0 0 "[ . 1 . 2]" 1
204 1 34 GLN HA 1 35 GLN H 3.500 . 3.500 3.465 3.339 3.567 0.067 18 0 "[ . 1 . 2]" 1
205 1 34 GLN H 1 34 GLN QB 2.900 . 3.500 2.485 2.290 2.593 . 0 0 "[ . 1 . 2]" 1
206 1 34 GLN QB 1 35 GLN H 3.500 . 4.500 3.364 2.662 3.824 . 0 0 "[ . 1 . 2]" 1
207 1 34 GLN H 1 34 GLN QG 3.500 . 4.500 2.552 2.178 4.026 . 0 0 "[ . 1 . 2]" 1
208 1 34 GLN H 1 35 GLN H 3.500 . 3.500 2.491 2.285 2.637 . 0 0 "[ . 1 . 2]" 1
209 1 34 GLN H 1 36 GLU H 5.000 . 5.000 4.291 3.972 4.468 . 0 0 "[ . 1 . 2]" 1
210 1 35 GLN H 1 35 GLN QB 3.500 . 4.100 2.407 2.303 2.542 . 0 0 "[ . 1 . 2]" 1
211 1 35 GLN QB 1 36 GLU H 5.000 . 6.000 2.737 2.621 3.681 . 0 0 "[ . 1 . 2]" 1
212 1 35 GLN H 1 35 GLN QG 3.500 . 4.500 2.926 2.299 4.128 . 0 0 "[ . 1 . 2]" 1
213 1 36 GLU H 1 36 GLU HA 2.900 . 2.900 2.897 2.841 2.949 0.049 9 0 "[ . 1 . 2]" 1
214 1 36 GLU HA 1 37 LYS H 3.500 . 3.500 3.429 3.345 3.561 0.061 3 0 "[ . 1 . 2]" 1
215 1 36 GLU HA 1 39 ASP H 5.000 . 5.000 3.039 2.833 3.246 . 0 0 "[ . 1 . 2]" 1
216 1 36 GLU H 1 36 GLU QB 3.500 . 4.100 2.408 2.174 2.612 . 0 0 "[ . 1 . 2]" 1
217 1 36 GLU QB 1 37 LYS H 5.000 . 6.000 3.286 2.725 3.896 . 0 0 "[ . 1 . 2]" 1
218 1 36 GLU H 1 36 GLU QG 3.500 . 4.500 2.893 2.271 4.124 . 0 0 "[ . 1 . 2]" 1
219 1 36 GLU H 1 37 LYS H 3.500 . 3.500 2.556 2.338 2.651 . 0 0 "[ . 1 . 2]" 1
220 1 37 LYS HA 1 40 MET H 5.000 . 5.000 3.250 3.074 3.478 . 0 0 "[ . 1 . 2]" 1
221 1 37 LYS QB 1 38 GLU H 5.000 . 6.000 2.660 2.518 3.688 . 0 0 "[ . 1 . 2]" 1
222 1 37 LYS H 1 38 GLU H 5.000 . 5.000 2.707 2.647 2.768 . 0 0 "[ . 1 . 2]" 1
223 1 38 GLU HA 1 39 ASP H 5.000 . 5.000 3.586 3.556 3.600 . 0 0 "[ . 1 . 2]" 1
224 1 38 GLU HA 1 40 MET H 5.000 . 5.000 4.316 4.206 4.423 . 0 0 "[ . 1 . 2]" 1
225 1 38 GLU HA 1 41 GLU H 5.000 . 5.000 3.367 3.285 3.513 . 0 0 "[ . 1 . 2]" 1
226 1 38 GLU H 1 38 GLU QB 3.500 . 4.100 2.404 2.313 2.618 . 0 0 "[ . 1 . 2]" 1
227 1 38 GLU QB 1 39 ASP H 3.500 . 4.500 2.683 2.538 3.571 . 0 0 "[ . 1 . 2]" 1
228 1 38 GLU H 1 38 GLU QG 3.500 . 4.500 3.126 2.198 4.049 . 0 0 "[ . 1 . 2]" 1
229 1 38 GLU QG 1 39 ASP H 5.000 . 6.000 3.795 2.282 4.206 . 0 0 "[ . 1 . 2]" 1
230 1 38 GLU H 1 39 ASP H 3.500 . 3.500 2.613 2.471 2.662 . 0 0 "[ . 1 . 2]" 1
231 1 39 ASP HA 1 40 MET H 5.000 . 5.000 3.574 3.541 3.599 . 0 0 "[ . 1 . 2]" 1
232 1 39 ASP HA 1 41 GLU H 5.000 . 5.000 4.320 4.246 4.444 . 0 0 "[ . 1 . 2]" 1
233 1 39 ASP HA 1 42 SER H 5.000 . 5.000 3.311 3.179 3.404 . 0 0 "[ . 1 . 2]" 1
234 1 39 ASP H 1 39 ASP QB 3.500 . 4.100 2.405 2.293 2.450 . 0 0 "[ . 1 . 2]" 1
235 1 39 ASP QB 1 40 MET H 3.500 . 4.500 2.652 2.568 2.713 . 0 0 "[ . 1 . 2]" 1
236 1 39 ASP H 1 40 MET H 2.900 . 2.900 2.575 2.410 2.635 . 0 0 "[ . 1 . 2]" 1
237 1 39 ASP H 1 41 GLU H 5.000 . 5.000 4.125 4.016 4.176 . 0 0 "[ . 1 . 2]" 1
238 1 40 MET HA 1 41 GLU H 5.000 . 5.000 3.598 3.583 3.607 . 0 0 "[ . 1 . 2]" 1
239 1 40 MET HA 1 43 ILE H 5.000 . 5.000 3.250 3.153 3.403 . 0 0 "[ . 1 . 2]" 1
240 1 40 MET H 1 40 MET QB 3.500 . 4.100 2.372 2.275 2.477 . 0 0 "[ . 1 . 2]" 1
241 1 40 MET H 1 40 MET QG 3.500 . 4.500 3.130 2.353 4.061 . 0 0 "[ . 1 . 2]" 1
242 1 40 MET H 1 41 GLU H 2.900 . 2.900 2.687 2.618 2.714 . 0 0 "[ . 1 . 2]" 1
243 1 40 MET H 1 79 LEU QD 5.000 . 7.400 4.295 3.570 5.277 . 0 0 "[ . 1 . 2]" 1
244 1 41 GLU H 1 41 GLU HA 2.900 . 2.900 2.854 2.832 2.862 . 0 0 "[ . 1 . 2]" 1
245 1 41 GLU HA 1 42 SER H 3.500 . 3.500 3.587 3.574 3.605 0.105 10 0 "[ . 1 . 2]" 1
246 1 41 GLU HA 1 44 VAL H 5.000 . 5.000 3.372 3.228 3.622 . 0 0 "[ . 1 . 2]" 1
247 1 41 GLU H 1 41 GLU QB 2.900 . 3.500 2.436 2.275 2.453 . 0 0 "[ . 1 . 2]" 1
248 1 41 GLU QB 1 42 SER H 2.900 . 3.900 2.625 2.554 2.668 . 0 0 "[ . 1 . 2]" 1
249 1 41 GLU H 1 41 GLU QG 2.900 . 3.900 2.495 2.397 3.994 0.094 1 0 "[ . 1 . 2]" 1
250 1 41 GLU QG 1 42 SER H 5.000 . 6.000 4.187 3.735 4.275 . 0 0 "[ . 1 . 2]" 1
251 1 41 GLU H 1 42 SER H 2.900 . 2.900 2.642 2.598 2.713 . 0 0 "[ . 1 . 2]" 1
252 1 41 GLU H 1 43 ILE H 5.000 . 5.000 4.054 3.993 4.167 . 0 0 "[ . 1 . 2]" 1
253 1 42 SER HA 1 43 ILE H 5.000 . 5.000 3.582 3.569 3.595 . 0 0 "[ . 1 . 2]" 1
254 1 42 SER HA 1 45 GLU H 3.500 . 3.500 3.461 3.381 3.547 0.047 8 0 "[ . 1 . 2]" 1
255 1 42 SER H 1 42 SER QB 2.900 . 3.500 2.479 2.332 2.633 . 0 0 "[ . 1 . 2]" 1
256 1 42 SER QB 1 43 ILE H 3.500 . 4.500 2.778 2.564 3.546 . 0 0 "[ . 1 . 2]" 1
257 1 42 SER H 1 43 ILE H 3.500 . 3.500 2.596 2.545 2.650 . 0 0 "[ . 1 . 2]" 1
258 1 42 SER H 1 44 VAL H 5.000 . 5.000 4.131 4.035 4.330 . 0 0 "[ . 1 . 2]" 1
259 1 43 ILE HA 1 44 VAL H 5.000 . 5.000 3.607 3.593 3.638 . 0 0 "[ . 1 . 2]" 1
260 1 43 ILE HA 1 46 THR H 5.000 . 5.000 3.412 3.263 3.666 . 0 0 "[ . 1 . 2]" 1
261 1 43 ILE H 1 43 ILE HB 3.500 . 3.500 2.435 2.415 2.452 . 0 0 "[ . 1 . 2]" 1
262 1 43 ILE HB 1 44 VAL H 3.500 . 3.500 2.615 2.514 2.689 . 0 0 "[ . 1 . 2]" 1
263 1 43 ILE H 1 43 ILE MD 3.500 . 5.000 3.504 3.492 3.517 . 0 0 "[ . 1 . 2]" 1
264 1 43 ILE MD 1 44 VAL H 5.000 . 6.500 4.533 4.443 4.594 . 0 0 "[ . 1 . 2]" 1
265 1 43 ILE H 1 43 ILE HG13 2.900 . 2.900 2.293 2.277 2.325 . 0 0 "[ . 1 . 2]" 1
266 1 43 ILE H 1 43 ILE HG12 3.500 . 3.500 3.650 3.634 3.677 0.177 5 0 "[ . 1 . 2]" 1
267 1 43 ILE H 1 43 ILE MG 3.500 . 5.000 3.766 3.760 3.771 . 0 0 "[ . 1 . 2]" 1
268 1 43 ILE MG 1 44 VAL H 5.000 . 6.500 3.268 3.178 3.336 . 0 0 "[ . 1 . 2]" 1
269 1 43 ILE H 1 44 VAL H 3.500 . 3.500 2.689 2.618 2.781 . 0 0 "[ . 1 . 2]" 1
270 1 43 ILE H 1 45 GLU H 5.000 . 5.000 4.226 4.119 4.313 . 0 0 "[ . 1 . 2]" 1
271 1 44 VAL HA 1 45 GLU H 5.000 . 5.000 3.611 3.598 3.619 . 0 0 "[ . 1 . 2]" 1
272 1 44 VAL HA 1 47 MET H 5.000 . 5.000 3.406 3.252 3.623 . 0 0 "[ . 1 . 2]" 1
273 1 44 VAL H 1 44 VAL HB 3.500 . 3.500 2.498 2.457 2.679 . 0 0 "[ . 1 . 2]" 1
274 1 44 VAL H 1 44 VAL QG 2.900 . 4.600 2.200 1.995 2.350 . 0 0 "[ . 1 . 2]" 1
275 1 44 VAL QG 1 45 GLU H 3.500 . 5.900 3.051 2.086 3.137 . 0 0 "[ . 1 . 2]" 1
276 1 44 VAL H 1 45 GLU H 2.900 . 2.900 2.726 2.644 2.759 . 0 0 "[ . 1 . 2]" 1
277 1 45 GLU H 1 45 GLU HA 2.900 . 2.900 2.854 2.839 2.864 . 0 0 "[ . 1 . 2]" 1
278 1 45 GLU HA 1 46 THR H 3.500 . 3.500 3.580 3.569 3.597 0.097 8 0 "[ . 1 . 2]" 1
279 1 45 GLU HA 1 48 MET H 3.500 . 3.500 3.483 3.337 3.622 0.122 5 0 "[ . 1 . 2]" 1
280 1 45 GLU H 1 45 GLU QB 2.900 . 3.500 2.424 2.234 2.451 . 0 0 "[ . 1 . 2]" 1
281 1 45 GLU QB 1 46 THR H 2.900 . 3.900 2.643 2.551 2.773 . 0 0 "[ . 1 . 2]" 1
282 1 45 GLU H 1 45 GLU QG 2.900 . 3.900 2.555 2.395 3.993 0.093 16 0 "[ . 1 . 2]" 1
283 1 45 GLU QG 1 46 THR H 5.000 . 6.000 4.205 3.686 4.618 . 0 0 "[ . 1 . 2]" 1
284 1 45 GLU H 1 46 THR H 2.900 . 2.900 2.641 2.602 2.703 . 0 0 "[ . 1 . 2]" 1
285 1 46 THR H 1 46 THR HA 2.900 . 2.900 2.874 2.865 2.890 . 0 0 "[ . 1 . 2]" 1
286 1 46 THR HA 1 47 MET H 5.000 . 5.000 3.604 3.576 3.615 . 0 0 "[ . 1 . 2]" 1
287 1 46 THR HA 1 49 SER H 2.900 . 2.900 3.211 3.157 3.270 0.370 5 0 "[ . 1 . 2]" 1
288 1 46 THR H 1 46 THR HB 2.900 . 2.900 2.564 2.559 2.572 . 0 0 "[ . 1 . 2]" 1
289 1 46 THR HB 1 47 MET H 3.500 . 3.500 2.622 2.565 2.687 . 0 0 "[ . 1 . 2]" 1
290 1 46 THR H 1 46 THR MG 3.500 . 5.000 3.800 3.796 3.808 . 0 0 "[ . 1 . 2]" 1
291 1 46 THR MG 1 47 MET H 5.000 . 6.500 3.504 3.461 3.544 . 0 0 "[ . 1 . 2]" 1
292 1 46 THR H 1 47 MET H 3.500 . 3.500 2.622 2.542 2.672 . 0 0 "[ . 1 . 2]" 1
293 1 46 THR H 1 48 MET H 5.000 . 5.000 4.058 3.906 4.161 . 0 0 "[ . 1 . 2]" 1
294 1 47 MET HA 1 50 ALA H 3.500 . 3.500 3.281 3.110 3.449 . 0 0 "[ . 1 . 2]" 1
295 1 47 MET H 1 47 MET QB 3.500 . 4.100 2.407 2.292 2.462 . 0 0 "[ . 1 . 2]" 1
296 1 47 MET ME 1 72 PHE H 3.500 . 5.000 3.484 3.015 4.004 . 0 0 "[ . 1 . 2]" 1
297 1 47 MET H 1 47 MET QG 3.500 . 4.500 2.916 2.352 4.125 . 0 0 "[ . 1 . 2]" 1
298 1 47 MET QG 1 48 MET H 5.000 . 6.000 4.028 3.518 4.203 . 0 0 "[ . 1 . 2]" 1
299 1 47 MET H 1 48 MET H 3.500 . 3.500 2.641 2.551 2.701 . 0 0 "[ . 1 . 2]" 1
300 1 47 MET H 1 49 SER H 5.000 . 5.000 3.969 3.877 4.095 . 0 0 "[ . 1 . 2]" 1
301 1 48 MET HA 1 49 SER H 5.000 . 5.000 3.584 3.565 3.610 . 0 0 "[ . 1 . 2]" 1
302 1 48 MET HA 1 51 ILE H 5.000 . 5.000 3.236 3.027 3.450 . 0 0 "[ . 1 . 2]" 1
303 1 48 MET H 1 48 MET QB 3.500 . 4.100 2.403 2.267 2.480 . 0 0 "[ . 1 . 2]" 1
304 1 48 MET QB 1 49 SER H 5.000 . 6.000 2.664 2.577 2.783 . 0 0 "[ . 1 . 2]" 1
305 1 48 MET H 1 48 MET QG 3.500 . 4.500 2.875 2.300 4.070 . 0 0 "[ . 1 . 2]" 1
306 1 48 MET QG 1 49 SER H 3.500 . 4.500 4.106 3.952 4.235 . 0 0 "[ . 1 . 2]" 1
307 1 48 MET H 1 49 SER H 2.900 . 2.900 2.576 2.515 2.648 . 0 0 "[ . 1 . 2]" 1
308 1 49 SER H 1 49 SER HA 2.900 . 2.900 2.860 2.848 2.883 . 0 0 "[ . 1 . 2]" 1
309 1 49 SER HA 1 50 ALA H 3.500 . 3.500 3.572 3.546 3.587 0.087 12 0 "[ . 1 . 2]" 1
310 1 49 SER HA 1 51 ILE H 5.000 . 5.000 4.338 4.176 4.514 . 0 0 "[ . 1 . 2]" 1
311 1 49 SER HA 1 52 SER H 5.000 . 5.000 3.368 3.277 3.466 . 0 0 "[ . 1 . 2]" 1
312 1 49 SER H 1 49 SER QB 2.900 . 3.500 2.498 2.338 2.619 . 0 0 "[ . 1 . 2]" 1
313 1 49 SER QB 1 50 ALA H 3.500 . 4.500 2.709 2.567 3.566 . 0 0 "[ . 1 . 2]" 1
314 1 49 SER H 1 50 ALA H 2.900 . 2.900 2.596 2.519 2.649 . 0 0 "[ . 1 . 2]" 1
315 1 49 SER H 1 51 ILE H 5.000 . 5.000 4.100 3.997 4.295 . 0 0 "[ . 1 . 2]" 1
316 1 50 ALA H 1 50 ALA HA 2.900 . 2.900 2.849 2.843 2.859 . 0 0 "[ . 1 . 2]" 1
317 1 50 ALA HA 1 51 ILE H 5.000 . 5.000 3.601 3.589 3.636 . 0 0 "[ . 1 . 2]" 1
318 1 50 ALA HA 1 53 GLY H 3.500 . 3.500 3.268 3.119 3.437 . 0 0 "[ . 1 . 2]" 1
319 1 50 ALA H 1 50 ALA MB 2.900 . 4.000 2.289 2.192 2.307 . 0 0 "[ . 1 . 2]" 1
320 1 50 ALA MB 1 51 ILE H 2.900 . 4.400 2.594 2.534 2.722 . 0 0 "[ . 1 . 2]" 1
321 1 50 ALA H 1 51 ILE H 2.900 . 2.900 2.674 2.633 2.758 . 0 0 "[ . 1 . 2]" 1
322 1 50 ALA H 1 52 SER H 5.000 . 5.000 4.163 4.004 4.277 . 0 0 "[ . 1 . 2]" 1
323 1 51 ILE HA 1 52 SER H 3.500 . 3.500 3.584 3.539 3.610 0.110 2 0 "[ . 1 . 2]" 1
324 1 51 ILE HA 1 54 VAL H 3.500 . 3.500 3.453 3.247 3.598 0.098 11 0 "[ . 1 . 2]" 1
325 1 51 ILE H 1 51 ILE HB 3.500 . 3.500 2.472 2.435 2.522 . 0 0 "[ . 1 . 2]" 1
326 1 51 ILE HB 1 52 SER H 3.500 . 3.500 2.654 2.433 3.831 0.331 4 0 "[ . 1 . 2]" 1
327 1 51 ILE MD 1 68 MET H 5.000 . 6.500 5.327 4.756 5.520 . 0 0 "[ . 1 . 2]" 1
328 1 51 ILE QG 1 52 SER H 5.000 . 6.000 4.051 3.956 4.182 . 0 0 "[ . 1 . 2]" 1
329 1 51 ILE H 1 51 ILE MG 3.500 . 5.000 3.642 2.322 3.793 . 0 0 "[ . 1 . 2]" 1
330 1 51 ILE MG 1 52 SER H 3.500 . 5.000 3.116 1.998 3.332 . 0 0 "[ . 1 . 2]" 1
331 1 51 ILE H 1 53 GLY H 5.000 . 5.000 3.991 3.880 4.061 . 0 0 "[ . 1 . 2]" 1
332 1 52 SER H 1 52 SER HA 2.900 . 2.900 2.857 2.839 2.884 . 0 0 "[ . 1 . 2]" 1
333 1 52 SER HA 1 53 GLY H 5.000 . 5.000 3.584 3.557 3.598 . 0 0 "[ . 1 . 2]" 1
334 1 52 SER HA 1 54 VAL H 5.000 . 5.000 4.460 4.331 4.577 . 0 0 "[ . 1 . 2]" 1
335 1 52 SER H 1 52 SER QB 2.900 . 3.500 2.493 2.327 2.633 . 0 0 "[ . 1 . 2]" 1
336 1 52 SER QB 1 53 GLY H 3.500 . 4.500 2.759 2.542 3.573 . 0 0 "[ . 1 . 2]" 1
337 1 52 SER H 1 53 GLY QA 5.000 . 6.000 4.517 4.425 4.556 . 0 0 "[ . 1 . 2]" 1
338 1 52 SER H 1 53 GLY H 3.500 . 3.500 2.627 2.519 2.673 . 0 0 "[ . 1 . 2]" 1
339 1 52 SER H 1 54 VAL H 5.000 . 5.000 4.206 4.089 4.312 . 0 0 "[ . 1 . 2]" 1
340 1 53 GLY QA 1 54 VAL H 3.500 . 4.500 2.757 2.736 2.801 . 0 0 "[ . 1 . 2]" 1
341 1 53 GLY QA 1 55 SER H 5.000 . 6.000 4.189 3.767 4.772 . 0 0 "[ . 1 . 2]" 1
342 1 53 GLY H 1 54 VAL H 3.500 . 3.500 2.700 2.635 2.783 . 0 0 "[ . 1 . 2]" 1
343 1 54 VAL H 1 54 VAL HA 2.900 . 2.900 2.879 2.856 2.928 0.028 3 0 "[ . 1 . 2]" 1
344 1 54 VAL HA 1 55 SER H 3.500 . 3.500 3.592 3.498 3.630 0.130 3 0 "[ . 1 . 2]" 1
345 1 54 VAL H 1 54 VAL HB 2.900 . 2.900 2.488 2.467 2.532 . 0 0 "[ . 1 . 2]" 1
346 1 54 VAL HB 1 55 SER H 5.000 . 5.000 2.635 2.162 4.034 . 0 0 "[ . 1 . 2]" 1
347 1 54 VAL H 1 54 VAL QG 2.900 . 4.600 2.263 2.195 2.414 . 0 0 "[ . 1 . 2]" 1
348 1 54 VAL QG 1 55 SER H 5.000 . 7.400 3.090 2.395 3.233 . 0 0 "[ . 1 . 2]" 1
349 1 54 VAL QG 1 68 MET H 5.000 . 7.400 4.924 3.928 5.604 . 0 0 "[ . 1 . 2]" 1
350 1 54 VAL H 1 55 SER H 5.000 . 5.000 2.601 2.466 2.706 . 0 0 "[ . 1 . 2]" 1
351 1 55 SER H 1 55 SER QB 3.500 . 4.100 2.765 2.325 3.286 . 0 0 "[ . 1 . 2]" 1
352 1 58 ARG HA 1 59 GLY H 5.000 . 5.000 2.617 2.157 3.616 . 0 0 "[ . 1 . 2]" 1
353 1 61 SER HA 1 62 GLU H 5.000 . 5.000 2.670 2.138 3.596 . 0 0 "[ . 1 . 2]" 1
354 1 61 SER HA 1 64 THR H 5.000 . 5.000 4.012 2.999 4.893 . 0 0 "[ . 1 . 2]" 1
355 1 61 SER QB 1 62 GLU H 5.000 . 6.000 3.331 2.480 3.927 . 0 0 "[ . 1 . 2]" 1
356 1 62 GLU HA 1 63 ALA H 5.000 . 5.000 3.561 3.416 3.595 . 0 0 "[ . 1 . 2]" 1
357 1 62 GLU HA 1 64 THR H 5.000 . 5.000 4.256 4.086 4.428 . 0 0 "[ . 1 . 2]" 1
358 1 62 GLU HA 1 65 LEU H 3.500 . 3.500 3.268 3.038 3.478 . 0 0 "[ . 1 . 2]" 1
359 1 62 GLU QB 1 63 ALA H 5.000 . 6.000 2.745 2.599 3.705 . 0 0 "[ . 1 . 2]" 1
360 1 63 ALA HA 1 64 THR H 3.500 . 3.500 3.574 3.556 3.594 0.094 10 0 "[ . 1 . 2]" 1
361 1 63 ALA HA 1 65 LEU H 5.000 . 5.000 4.486 4.382 4.624 . 0 0 "[ . 1 . 2]" 1
362 1 63 ALA HA 1 66 GLN H 3.500 . 3.500 3.513 3.406 3.617 0.117 8 0 "[ . 1 . 2]" 1
363 1 63 ALA MB 1 64 THR H 3.500 . 5.000 2.534 2.367 2.619 . 0 0 "[ . 1 . 2]" 1
364 1 63 ALA H 1 64 THR H 3.500 . 3.500 2.638 2.596 2.710 . 0 0 "[ . 1 . 2]" 1
365 1 63 ALA H 1 65 LEU H 5.000 . 5.000 4.147 3.834 4.377 . 0 0 "[ . 1 . 2]" 1
366 1 64 THR HA 1 65 LEU H 3.500 . 3.500 3.594 3.570 3.631 0.131 20 0 "[ . 1 . 2]" 1
367 1 64 THR HA 1 67 ALA H 5.000 . 5.000 3.517 3.208 3.960 . 0 0 "[ . 1 . 2]" 1
368 1 64 THR H 1 64 THR HB 2.900 . 2.900 2.563 2.540 2.585 . 0 0 "[ . 1 . 2]" 1
369 1 64 THR HB 1 65 LEU H 3.500 . 3.500 2.549 2.488 2.669 . 0 0 "[ . 1 . 2]" 1
370 1 64 THR HB 1 66 GLN H 5.000 . 5.000 4.977 4.826 5.063 0.063 8 0 "[ . 1 . 2]" 1
371 1 64 THR H 1 64 THR MG 3.500 . 5.000 3.790 3.783 3.800 . 0 0 "[ . 1 . 2]" 1
372 1 64 THR MG 1 65 LEU H 5.000 . 6.500 3.486 3.415 3.654 . 0 0 "[ . 1 . 2]" 1
373 1 64 THR H 1 65 LEU H 2.900 . 2.900 2.635 2.495 2.786 . 0 0 "[ . 1 . 2]" 1
374 1 65 LEU HA 1 66 GLN H 3.500 . 3.500 3.592 3.570 3.612 0.112 16 0 "[ . 1 . 2]" 1
375 1 65 LEU H 1 65 LEU QB 2.900 . 3.500 2.494 2.424 2.751 . 0 0 "[ . 1 . 2]" 1
376 1 65 LEU QB 1 66 GLN H 3.500 . 4.500 2.714 2.478 3.613 . 0 0 "[ . 1 . 2]" 1
377 1 65 LEU H 1 65 LEU QD 3.500 . 5.200 3.102 2.740 3.205 . 0 0 "[ . 1 . 2]" 1
378 1 65 LEU QD 1 66 GLN H 5.000 . 7.400 3.911 2.726 4.177 . 0 0 "[ . 1 . 2]" 1
379 1 65 LEU H 1 65 LEU HG 2.900 . 2.900 2.334 2.186 2.412 . 0 0 "[ . 1 . 2]" 1
380 1 65 LEU HG 1 66 GLN H 5.000 . 5.000 4.046 2.084 4.498 . 0 0 "[ . 1 . 2]" 1
381 1 66 GLN H 1 66 GLN HA 2.900 . 2.900 2.881 2.867 2.920 0.020 16 0 "[ . 1 . 2]" 1
382 1 66 GLN HA 1 69 ASN H 3.500 . 3.500 3.433 3.252 3.605 0.105 6 0 "[ . 1 . 2]" 1
383 1 66 GLN H 1 66 GLN QB 2.900 . 3.500 2.332 2.233 2.649 . 0 0 "[ . 1 . 2]" 1
384 1 66 GLN QB 1 67 ALA H 3.500 . 4.500 2.679 2.495 3.629 . 0 0 "[ . 1 . 2]" 1
385 1 66 GLN HE22 1 70 MET H 5.000 . 5.000 5.034 4.701 5.240 0.240 11 0 "[ . 1 . 2]" 1
386 1 66 GLN H 1 66 GLN QG 3.500 . 4.500 3.435 2.422 4.127 . 0 0 "[ . 1 . 2]" 1
387 1 66 GLN QG 1 67 ALA H 5.000 . 6.000 4.071 2.068 4.480 . 0 0 "[ . 1 . 2]" 1
388 1 66 GLN H 1 67 ALA MB 5.000 . 6.500 4.342 4.248 4.419 . 0 0 "[ . 1 . 2]" 1
389 1 66 GLN H 1 67 ALA H 2.900 . 2.900 2.572 2.439 2.633 . 0 0 "[ . 1 . 2]" 1
390 1 67 ALA H 1 67 ALA HA 2.900 . 2.900 2.852 2.841 2.868 . 0 0 "[ . 1 . 2]" 1
391 1 67 ALA HA 1 70 MET H 3.500 . 3.500 3.562 3.368 3.724 0.224 11 0 "[ . 1 . 2]" 1
392 1 67 ALA H 1 67 ALA MB 2.900 . 4.000 2.301 2.285 2.317 . 0 0 "[ . 1 . 2]" 1
393 1 67 ALA MB 1 68 MET H 2.900 . 4.400 2.580 2.489 2.638 . 0 0 "[ . 1 . 2]" 1
394 1 67 ALA H 1 68 MET H 3.500 . 3.500 2.683 2.548 2.753 . 0 0 "[ . 1 . 2]" 1
395 1 67 ALA H 1 69 ASN H 5.000 . 5.000 4.148 3.989 4.305 . 0 0 "[ . 1 . 2]" 1
396 1 68 MET H 1 68 MET HA 2.900 . 2.900 2.878 2.845 2.904 0.004 11 0 "[ . 1 . 2]" 1
397 1 68 MET HA 1 69 ASN H 5.000 . 5.000 3.604 3.581 3.629 . 0 0 "[ . 1 . 2]" 1
398 1 68 MET HA 1 71 ALA H 2.900 . 2.900 3.107 2.995 3.224 0.324 18 0 "[ . 1 . 2]" 1
399 1 68 MET H 1 68 MET QB 3.500 . 4.100 2.314 2.173 2.494 . 0 0 "[ . 1 . 2]" 1
400 1 68 MET QB 1 69 ASN H 5.000 . 6.000 2.707 2.630 2.801 . 0 0 "[ . 1 . 2]" 1
401 1 68 MET H 1 68 MET QG 3.500 . 4.500 3.289 2.378 4.114 . 0 0 "[ . 1 . 2]" 1
402 1 68 MET QG 1 69 ASN H 5.000 . 6.000 4.336 3.903 4.647 . 0 0 "[ . 1 . 2]" 1
403 1 68 MET H 1 69 ASN H 3.500 . 3.500 2.608 2.534 2.707 . 0 0 "[ . 1 . 2]" 1
404 1 69 ASN HA 1 72 PHE H 5.000 . 5.000 3.480 3.259 3.853 . 0 0 "[ . 1 . 2]" 1
405 1 69 ASN H 1 69 ASN QB 3.500 . 4.100 2.313 2.274 2.334 . 0 0 "[ . 1 . 2]" 1
406 1 69 ASN QB 1 70 MET H 3.500 . 4.500 2.561 2.480 2.616 . 0 0 "[ . 1 . 2]" 1
407 1 69 ASN H 1 70 MET H 2.900 . 2.900 2.669 2.611 2.741 . 0 0 "[ . 1 . 2]" 1
408 1 69 ASN H 1 71 ALA H 5.000 . 5.000 3.898 3.828 4.035 . 0 0 "[ . 1 . 2]" 1
409 1 70 MET HA 1 71 ALA H 5.000 . 5.000 3.573 3.551 3.616 . 0 0 "[ . 1 . 2]" 1
410 1 70 MET HA 1 74 SER H 5.000 . 5.000 3.894 3.603 4.158 . 0 0 "[ . 1 . 2]" 1
411 1 70 MET H 1 70 MET QB 2.900 . 3.500 2.373 2.284 2.459 . 0 0 "[ . 1 . 2]" 1
412 1 70 MET QB 1 71 ALA H 2.900 . 3.900 2.690 2.559 2.928 . 0 0 "[ . 1 . 2]" 1
413 1 70 MET H 1 70 MET QG 3.500 . 4.500 3.241 2.380 4.112 . 0 0 "[ . 1 . 2]" 1
414 1 70 MET QG 1 71 ALA H 5.000 . 6.000 4.019 3.758 4.324 . 0 0 "[ . 1 . 2]" 1
415 1 70 MET H 1 71 ALA HA 5.000 . 5.000 5.159 5.086 5.229 0.229 18 0 "[ . 1 . 2]" 1
416 1 70 MET H 1 71 ALA H 2.900 . 2.900 2.544 2.489 2.631 . 0 0 "[ . 1 . 2]" 1
417 1 70 MET H 1 72 PHE H 5.000 . 5.000 4.191 4.068 4.517 . 0 0 "[ . 1 . 2]" 1
418 1 71 ALA H 1 71 ALA HA 2.900 . 2.900 2.842 2.833 2.861 . 0 0 "[ . 1 . 2]" 1
419 1 71 ALA HA 1 72 PHE H 5.000 . 5.000 3.612 3.565 3.648 . 0 0 "[ . 1 . 2]" 1
420 1 71 ALA HA 1 74 SER H 5.000 . 5.000 3.356 3.131 3.682 . 0 0 "[ . 1 . 2]" 1
421 1 71 ALA H 1 71 ALA MB 2.900 . 4.000 2.278 2.235 2.303 . 0 0 "[ . 1 . 2]" 1
422 1 71 ALA MB 1 72 PHE H 2.900 . 4.400 2.663 2.538 2.715 . 0 0 "[ . 1 . 2]" 1
423 1 71 ALA H 1 72 PHE H 3.500 . 3.500 2.729 2.603 2.821 . 0 0 "[ . 1 . 2]" 1
424 1 72 PHE HA 1 73 ALA H 5.000 . 5.000 3.588 3.566 3.604 . 0 0 "[ . 1 . 2]" 1
425 1 72 PHE HA 1 75 SER H 5.000 . 5.000 3.507 3.223 3.737 . 0 0 "[ . 1 . 2]" 1
426 1 72 PHE H 1 72 PHE QB 2.900 . 3.500 2.538 2.196 2.714 . 0 0 "[ . 1 . 2]" 1
427 1 72 PHE QB 1 73 ALA H 3.500 . 4.500 2.563 2.320 3.545 . 0 0 "[ . 1 . 2]" 1
428 1 72 PHE H 1 72 PHE HD1 5.000 . 5.000 3.817 2.651 5.118 0.118 6 0 "[ . 1 . 2]" 1
429 1 72 PHE HD1 1 73 ALA H 5.000 . 5.000 4.421 3.793 5.159 0.159 18 0 "[ . 1 . 2]" 1
430 1 72 PHE H 1 73 ALA HA 5.000 . 5.000 5.213 5.068 5.312 0.312 18 0 "[ . 1 . 2]" 1
431 1 72 PHE H 1 73 ALA H 3.500 . 3.500 2.593 2.423 2.734 . 0 0 "[ . 1 . 2]" 1
432 1 72 PHE H 1 74 SER H 5.000 . 5.000 3.956 3.912 4.035 . 0 0 "[ . 1 . 2]" 1
433 1 73 ALA HA 1 74 SER H 5.000 . 5.000 3.583 3.573 3.605 . 0 0 "[ . 1 . 2]" 1
434 1 73 ALA HA 1 76 MET H 3.500 . 3.500 3.517 3.429 3.632 0.132 6 0 "[ . 1 . 2]" 1
435 1 73 ALA HA 1 77 ALA H 5.000 . 5.000 3.848 3.695 3.904 . 0 0 "[ . 1 . 2]" 1
436 1 73 ALA H 1 73 ALA MB 2.900 . 4.000 2.279 2.119 2.310 . 0 0 "[ . 1 . 2]" 1
437 1 73 ALA MB 1 74 SER H 2.900 . 4.400 2.616 2.545 2.743 . 0 0 "[ . 1 . 2]" 1
438 1 73 ALA H 1 121 ILE MD 5.000 . 6.500 4.320 3.158 5.283 . 0 0 "[ . 1 . 2]" 1
439 1 73 ALA H 1 121 ILE MG 5.000 . 6.500 4.613 4.236 5.192 . 0 0 "[ . 1 . 2]" 1
440 1 73 ALA H 1 74 SER H 3.500 . 3.500 2.624 2.591 2.708 . 0 0 "[ . 1 . 2]" 1
441 1 73 ALA H 1 75 SER H 5.000 . 5.000 4.189 4.117 4.312 . 0 0 "[ . 1 . 2]" 1
442 1 74 SER HA 1 77 ALA H 5.000 . 5.000 3.337 3.231 3.587 . 0 0 "[ . 1 . 2]" 1
443 1 74 SER H 1 74 SER QB 2.900 . 3.500 2.440 2.321 2.632 . 0 0 "[ . 1 . 2]" 1
444 1 74 SER QB 1 75 SER H 2.900 . 3.900 2.646 2.544 3.512 . 0 0 "[ . 1 . 2]" 1
445 1 74 SER H 1 75 SER H 2.900 . 2.900 2.688 2.639 2.747 . 0 0 "[ . 1 . 2]" 1
446 1 74 SER H 1 76 MET H 5.000 . 5.000 4.232 4.164 4.363 . 0 0 "[ . 1 . 2]" 1
447 1 75 SER H 1 75 SER HA 2.900 . 2.900 2.860 2.846 2.873 . 0 0 "[ . 1 . 2]" 1
448 1 75 SER HA 1 76 MET H 5.000 . 5.000 3.603 3.592 3.622 . 0 0 "[ . 1 . 2]" 1
449 1 75 SER HA 1 78 GLU H 5.000 . 5.000 3.417 3.306 3.549 . 0 0 "[ . 1 . 2]" 1
450 1 75 SER H 1 75 SER QB 2.900 . 3.500 2.450 2.319 2.630 . 0 0 "[ . 1 . 2]" 1
451 1 75 SER QB 1 76 MET H 3.500 . 4.500 2.593 2.422 3.479 . 0 0 "[ . 1 . 2]" 1
452 1 75 SER H 1 76 MET QB 5.000 . 6.000 4.697 4.538 4.801 . 0 0 "[ . 1 . 2]" 1
453 1 75 SER H 1 76 MET H 2.900 . 2.900 2.680 2.625 2.768 . 0 0 "[ . 1 . 2]" 1
454 1 75 SER H 1 77 ALA H 5.000 . 5.000 3.906 3.787 4.061 . 0 0 "[ . 1 . 2]" 1
455 1 76 MET HA 1 77 ALA H 5.000 . 5.000 3.563 3.543 3.578 . 0 0 "[ . 1 . 2]" 1
456 1 76 MET HA 1 79 LEU H 3.500 . 3.500 3.335 3.208 3.483 . 0 0 "[ . 1 . 2]" 1
457 1 76 MET H 1 76 MET QB 2.900 . 3.500 2.398 2.230 2.472 . 0 0 "[ . 1 . 2]" 1
458 1 76 MET QB 1 77 ALA H 3.500 . 4.500 2.715 2.608 2.860 . 0 0 "[ . 1 . 2]" 1
459 1 76 MET H 1 76 MET QG 2.900 . 3.900 2.759 2.372 3.610 . 0 0 "[ . 1 . 2]" 1
460 1 76 MET QG 1 77 ALA H 5.000 . 6.000 4.302 4.105 4.653 . 0 0 "[ . 1 . 2]" 1
461 1 76 MET H 1 77 ALA H 3.500 . 3.500 2.529 2.475 2.565 . 0 0 "[ . 1 . 2]" 1
462 1 76 MET H 1 78 GLU H 5.000 . 5.000 4.097 4.005 4.216 . 0 0 "[ . 1 . 2]" 1
463 1 77 ALA HA 1 78 GLU H 5.000 . 5.000 3.601 3.584 3.617 . 0 0 "[ . 1 . 2]" 1
464 1 77 ALA HA 1 80 VAL H 3.500 . 3.500 3.192 3.083 3.347 . 0 0 "[ . 1 . 2]" 1
465 1 77 ALA H 1 77 ALA MB 2.900 . 4.000 2.282 2.262 2.305 . 0 0 "[ . 1 . 2]" 1
466 1 77 ALA MB 1 78 GLU H 2.900 . 4.400 2.653 2.586 2.701 . 0 0 "[ . 1 . 2]" 1
467 1 77 ALA H 1 78 GLU H 3.500 . 3.500 2.690 2.636 2.736 . 0 0 "[ . 1 . 2]" 1
468 1 78 GLU H 1 78 GLU HA 2.900 . 2.900 2.850 2.836 2.856 . 0 0 "[ . 1 . 2]" 1
469 1 78 GLU HA 1 79 LEU H 3.500 . 3.500 3.593 3.574 3.607 0.107 6 0 "[ . 1 . 2]" 1
470 1 78 GLU HA 1 81 ILE H 5.000 . 5.000 3.342 3.193 3.584 . 0 0 "[ . 1 . 2]" 1
471 1 78 GLU H 1 78 GLU QB 2.900 . 3.500 2.385 2.307 2.458 . 0 0 "[ . 1 . 2]" 1
472 1 78 GLU QB 1 79 LEU H 3.500 . 4.500 2.570 2.510 2.652 . 0 0 "[ . 1 . 2]" 1
473 1 78 GLU H 1 78 GLU QG 3.500 . 4.500 3.245 2.417 4.120 . 0 0 "[ . 1 . 2]" 1
474 1 78 GLU QG 1 79 LEU H 5.000 . 6.000 3.949 3.645 4.253 . 0 0 "[ . 1 . 2]" 1
475 1 78 GLU H 1 79 LEU QB 5.000 . 6.000 4.728 4.698 4.806 . 0 0 "[ . 1 . 2]" 1
476 1 78 GLU H 1 79 LEU H 2.900 . 2.900 2.675 2.639 2.742 . 0 0 "[ . 1 . 2]" 1
477 1 78 GLU H 1 80 VAL H 5.000 . 5.000 3.988 3.911 4.185 . 0 0 "[ . 1 . 2]" 1
478 1 79 LEU H 1 79 LEU HA 2.900 . 2.900 2.868 2.846 2.875 . 0 0 "[ . 1 . 2]" 1
479 1 79 LEU HA 1 80 VAL H 3.500 . 3.500 3.566 3.555 3.606 0.106 15 0 "[ . 1 . 2]" 1
480 1 79 LEU HA 1 82 ALA H 5.000 . 5.000 3.564 3.459 4.049 . 0 0 "[ . 1 . 2]" 1
481 1 79 LEU H 1 79 LEU QB 2.900 . 3.500 2.453 2.436 2.464 . 0 0 "[ . 1 . 2]" 1
482 1 79 LEU QB 1 80 VAL H 3.500 . 4.500 2.612 2.586 2.686 . 0 0 "[ . 1 . 2]" 1
483 1 79 LEU H 1 79 LEU QD 3.500 . 5.200 3.200 3.188 3.219 . 0 0 "[ . 1 . 2]" 1
484 1 79 LEU H 1 79 LEU HG 2.900 . 2.900 2.416 2.396 2.452 . 0 0 "[ . 1 . 2]" 1
485 1 79 LEU H 1 80 VAL H 2.900 . 2.900 2.565 2.531 2.710 . 0 0 "[ . 1 . 2]" 1
486 1 80 VAL H 1 80 VAL HA 2.900 . 2.900 2.856 2.846 2.929 0.029 15 0 "[ . 1 . 2]" 1
487 1 80 VAL HA 1 81 ILE H 5.000 . 5.000 3.602 3.527 3.621 . 0 0 "[ . 1 . 2]" 1
488 1 80 VAL HA 1 82 ALA H 5.000 . 5.000 4.441 4.179 4.586 . 0 0 "[ . 1 . 2]" 1
489 1 80 VAL H 1 80 VAL HB 3.500 . 3.500 2.505 2.423 3.691 0.191 15 0 "[ . 1 . 2]" 1
490 1 80 VAL HB 1 81 ILE H 5.000 . 5.000 2.736 2.530 4.116 . 0 0 "[ . 1 . 2]" 1
491 1 80 VAL H 1 80 VAL QG 2.900 . 4.600 2.199 1.901 2.400 . 0 0 "[ . 1 . 2]" 1
492 1 80 VAL QG 1 81 ILE H 3.500 . 5.900 3.115 2.471 3.191 . 0 0 "[ . 1 . 2]" 1
493 1 81 ILE H 1 81 ILE HB 3.500 . 3.500 2.489 2.468 2.600 . 0 0 "[ . 1 . 2]" 1
494 1 81 ILE HB 1 82 ALA H 3.500 . 3.500 2.588 2.464 2.996 . 0 0 "[ . 1 . 2]" 1
495 1 81 ILE MD 1 129 ALA H 5.000 . 6.500 4.310 3.374 4.554 . 0 0 "[ . 1 . 2]" 1
496 1 81 ILE H 1 81 ILE MD 5.000 . 6.500 3.447 3.217 3.546 . 0 0 "[ . 1 . 2]" 1
497 1 81 ILE MD 1 82 ALA H 5.000 . 6.500 4.480 4.387 4.734 . 0 0 "[ . 1 . 2]" 1
498 1 81 ILE H 1 81 ILE HG13 3.500 . 3.500 2.435 2.201 3.621 0.121 7 0 "[ . 1 . 2]" 1
499 1 81 ILE HG13 1 82 ALA H 5.000 . 5.000 4.451 4.324 5.186 0.186 6 0 "[ . 1 . 2]" 1
500 1 81 ILE HG12 1 82 ALA H 5.000 . 5.000 4.981 4.276 5.131 0.131 16 0 "[ . 1 . 2]" 1
501 1 81 ILE H 1 81 ILE MG 3.500 . 5.000 3.781 3.773 3.810 . 0 0 "[ . 1 . 2]" 1
502 1 81 ILE MG 1 82 ALA H 3.500 . 5.000 3.267 3.121 3.811 . 0 0 "[ . 1 . 2]" 1
503 1 81 ILE MG 1 84 ASP H 5.000 . 6.500 4.315 4.040 4.574 . 0 0 "[ . 1 . 2]" 1
504 1 81 ILE MG 1 86 ASN QD 3.500 . 6.500 4.955 4.913 5.062 . 0 0 "[ . 1 . 2]" 1
505 1 81 ILE H 1 82 ALA H 2.900 . 2.900 2.708 2.546 2.767 . 0 0 "[ . 1 . 2]" 1
506 1 82 ALA H 1 82 ALA HA 2.900 . 2.900 2.833 2.819 2.844 . 0 0 "[ . 1 . 2]" 1
507 1 82 ALA HA 1 83 GLU H 3.500 . 3.500 3.602 3.586 3.627 0.127 6 0 "[ . 1 . 2]" 1
508 1 82 ALA H 1 82 ALA MB 2.900 . 4.000 2.302 2.293 2.311 . 0 0 "[ . 1 . 2]" 1
509 1 82 ALA MB 1 83 GLU H 2.900 . 4.400 2.550 2.484 2.626 . 0 0 "[ . 1 . 2]" 1
510 1 82 ALA MB 1 84 ASP H 5.000 . 6.500 4.413 4.288 4.490 . 0 0 "[ . 1 . 2]" 1
511 1 82 ALA H 1 83 GLU H 3.500 . 3.500 2.746 2.691 2.850 . 0 0 "[ . 1 . 2]" 1
512 1 83 GLU H 1 83 GLU HA 2.900 . 2.900 2.914 2.868 2.971 0.071 7 0 "[ . 1 . 2]" 1
513 1 83 GLU HA 1 84 ASP H 3.500 . 3.500 3.539 3.433 3.585 0.085 13 0 "[ . 1 . 2]" 1
514 1 83 GLU H 1 83 GLU QB 2.900 . 3.500 2.466 2.318 2.845 . 0 0 "[ . 1 . 2]" 1
515 1 83 GLU H 1 84 ASP H 2.900 . 2.900 2.439 2.188 2.611 . 0 0 "[ . 1 . 2]" 1
516 1 84 ASP H 1 84 ASP QB 3.500 . 4.100 2.332 2.298 2.481 . 0 0 "[ . 1 . 2]" 1
517 1 84 ASP QB 1 85 VAL H 5.000 . 6.000 2.641 2.411 3.704 . 0 0 "[ . 1 . 2]" 1
518 1 84 ASP H 1 85 VAL H 3.500 . 3.500 2.747 2.566 2.854 . 0 0 "[ . 1 . 2]" 1
519 1 84 ASP H 1 86 ASN H 5.000 . 5.000 4.235 3.772 4.993 . 0 0 "[ . 1 . 2]" 1
520 1 85 VAL HA 1 86 ASN H 3.500 . 3.500 3.575 3.512 3.592 0.092 19 0 "[ . 1 . 2]" 1
521 1 85 VAL H 1 85 VAL HB 2.900 . 2.900 2.496 2.471 2.611 . 0 0 "[ . 1 . 2]" 1
522 1 85 VAL HB 1 86 ASN H 5.000 . 5.000 2.898 2.576 4.160 . 0 0 "[ . 1 . 2]" 1
523 1 85 VAL H 1 85 VAL QG 2.900 . 4.600 2.182 2.064 2.209 . 0 0 "[ . 1 . 2]" 1
524 1 85 VAL QG 1 86 ASN H 3.500 . 5.900 2.963 2.125 3.169 . 0 0 "[ . 1 . 2]" 1
525 1 85 VAL QG 1 87 ASN H 5.000 . 7.400 4.493 3.843 4.636 . 0 0 "[ . 1 . 2]" 1
526 1 85 VAL H 1 86 ASN H 3.500 . 3.500 2.622 2.410 2.876 . 0 0 "[ . 1 . 2]" 1
527 1 85 VAL H 1 87 ASN H 5.000 . 5.000 4.120 3.993 4.216 . 0 0 "[ . 1 . 2]" 1
528 1 86 ASN HA 1 87 ASN H 3.500 . 3.500 3.531 2.953 3.625 0.125 13 0 "[ . 1 . 2]" 1
529 1 86 ASN H 1 86 ASN QB 2.900 . 3.500 2.377 2.325 2.657 . 0 0 "[ . 1 . 2]" 1
530 1 86 ASN QB 1 87 ASN H 3.500 . 4.500 2.915 2.742 3.857 . 0 0 "[ . 1 . 2]" 1
531 1 86 ASN H 1 87 ASN H 2.900 . 2.900 2.631 2.355 2.727 . 0 0 "[ . 1 . 2]" 1
532 1 87 ASN HA 1 89 ASP H 5.000 . 5.000 3.405 3.247 3.560 . 0 0 "[ . 1 . 2]" 1
533 1 87 ASN H 1 87 ASN QB 3.500 . 4.100 2.865 2.714 2.930 . 0 0 "[ . 1 . 2]" 1
534 1 87 ASN QB 1 90 SER H 5.000 . 6.000 3.166 2.755 3.524 . 0 0 "[ . 1 . 2]" 1
535 1 87 ASN H 1 89 ASP H 5.000 . 5.000 5.161 5.114 5.226 0.226 15 0 "[ . 1 . 2]" 1
536 1 87 ASN H 1 91 ILE MD 5.000 . 6.500 5.036 4.068 5.378 . 0 0 "[ . 1 . 2]" 1
537 1 88 PRO HA 1 89 ASP H 3.500 . 3.500 3.502 3.486 3.513 0.013 16 0 "[ . 1 . 2]" 1
538 1 88 PRO QB 1 89 ASP H 5.000 . 6.000 3.491 3.390 3.539 . 0 0 "[ . 1 . 2]" 1
539 1 88 PRO QG 1 89 ASP H 2.900 . 3.900 2.767 2.612 2.849 . 0 0 "[ . 1 . 2]" 1
540 1 89 ASP H 1 89 ASP HA 2.900 . 2.900 2.873 2.863 2.886 . 0 0 "[ . 1 . 2]" 1
541 1 89 ASP HA 1 90 SER H 3.500 . 3.500 3.552 3.530 3.571 0.071 6 0 "[ . 1 . 2]" 1
542 1 89 ASP HA 1 92 ALA H 5.000 . 5.000 3.354 3.287 3.492 . 0 0 "[ . 1 . 2]" 1
543 1 89 ASP H 1 89 ASP QB 2.900 . 3.500 2.418 2.309 2.453 . 0 0 "[ . 1 . 2]" 1
544 1 89 ASP QB 1 90 SER H 3.500 . 4.500 2.627 2.491 2.684 . 0 0 "[ . 1 . 2]" 1
545 1 89 ASP H 1 90 SER H 2.900 . 2.900 2.513 2.459 2.566 . 0 0 "[ . 1 . 2]" 1
546 1 89 ASP H 1 91 ILE H 5.000 . 5.000 3.936 3.804 4.011 . 0 0 "[ . 1 . 2]" 1
547 1 90 SER H 1 90 SER HA 2.900 . 2.900 2.852 2.838 2.869 . 0 0 "[ . 1 . 2]" 1
548 1 90 SER HA 1 91 ILE H 3.500 . 3.500 3.559 3.518 3.570 0.070 16 0 "[ . 1 . 2]" 1
549 1 90 SER HA 1 92 ALA H 5.000 . 5.000 4.350 4.274 4.428 . 0 0 "[ . 1 . 2]" 1
550 1 90 SER HA 1 93 GLU H 3.500 . 3.500 3.392 3.221 3.517 0.017 17 0 "[ . 1 . 2]" 1
551 1 90 SER HA 1 94 LYS H 5.000 . 5.000 3.961 3.750 4.127 . 0 0 "[ . 1 . 2]" 1
552 1 90 SER H 1 90 SER QB 2.900 . 3.500 2.461 2.309 2.561 . 0 0 "[ . 1 . 2]" 1
553 1 90 SER QB 1 91 ILE H 3.500 . 4.500 2.724 2.600 3.671 . 0 0 "[ . 1 . 2]" 1
554 1 90 SER H 1 91 ILE HB 5.000 . 5.000 4.819 4.751 4.922 . 0 0 "[ . 1 . 2]" 1
555 1 90 SER H 1 91 ILE H 2.900 . 2.900 2.588 2.530 2.627 . 0 0 "[ . 1 . 2]" 1
556 1 90 SER H 1 92 ALA H 5.000 . 5.000 4.211 4.085 4.304 . 0 0 "[ . 1 . 2]" 1
557 1 91 ILE HA 1 92 ALA H 5.000 . 5.000 3.608 3.592 3.616 . 0 0 "[ . 1 . 2]" 1
558 1 91 ILE HA 1 94 LYS H 3.500 . 3.500 3.249 3.035 3.517 0.017 7 0 "[ . 1 . 2]" 1
559 1 91 ILE H 1 91 ILE HB 2.900 . 2.900 2.483 2.444 2.552 . 0 0 "[ . 1 . 2]" 1
560 1 91 ILE HB 1 92 ALA H 2.900 . 2.900 2.667 2.511 2.798 . 0 0 "[ . 1 . 2]" 1
561 1 91 ILE H 1 91 ILE MD 3.500 . 5.000 3.317 3.129 3.566 . 0 0 "[ . 1 . 2]" 1
562 1 91 ILE H 1 91 ILE HG12 2.900 . 2.900 2.310 2.108 3.617 0.717 16 1 "[ . 1 .+ 2]" 1
563 1 91 ILE H 1 91 ILE HG13 3.500 . 3.500 3.620 2.281 3.783 0.283 10 0 "[ . 1 . 2]" 1
564 1 91 ILE H 1 91 ILE MG 3.500 . 5.000 3.782 3.776 3.796 . 0 0 "[ . 1 . 2]" 1
565 1 91 ILE MG 1 92 ALA H 3.500 . 5.000 3.356 3.227 3.490 . 0 0 "[ . 1 . 2]" 1
566 1 91 ILE H 1 92 ALA H 2.900 . 2.900 2.702 2.568 2.741 . 0 0 "[ . 1 . 2]" 1
567 1 91 ILE H 1 93 GLU H 5.000 . 5.000 4.197 4.008 4.299 . 0 0 "[ . 1 . 2]" 1
568 1 92 ALA H 1 92 ALA HA 2.900 . 2.900 2.846 2.841 2.850 . 0 0 "[ . 1 . 2]" 1
569 1 92 ALA HA 1 93 GLU H 3.500 . 3.500 3.597 3.588 3.603 0.103 17 0 "[ . 1 . 2]" 1
570 1 92 ALA HA 1 95 THR H 5.000 . 5.000 3.500 3.354 3.658 . 0 0 "[ . 1 . 2]" 1
571 1 92 ALA H 1 92 ALA MB 2.900 . 4.000 2.309 2.302 2.314 . 0 0 "[ . 1 . 2]" 1
572 1 92 ALA MB 1 93 GLU H 2.900 . 4.400 2.522 2.478 2.560 . 0 0 "[ . 1 . 2]" 1
573 1 92 ALA H 1 93 GLU H 2.900 . 2.900 2.692 2.638 2.718 . 0 0 "[ . 1 . 2]" 1
574 1 92 ALA H 1 94 LYS H 5.000 . 5.000 4.054 3.951 4.195 . 0 0 "[ . 1 . 2]" 1
575 1 93 GLU H 1 93 GLU HA 2.900 . 2.900 2.880 2.870 2.889 . 0 0 "[ . 1 . 2]" 1
576 1 93 GLU HA 1 94 LYS H 5.000 . 5.000 3.585 3.564 3.607 . 0 0 "[ . 1 . 2]" 1
577 1 93 GLU HA 1 96 GLU H 3.500 . 3.500 3.489 3.387 3.555 0.055 14 0 "[ . 1 . 2]" 1
578 1 93 GLU HA 1 97 ALA H 5.000 . 5.000 4.249 3.976 4.473 . 0 0 "[ . 1 . 2]" 1
579 1 93 GLU H 1 93 GLU QB 2.900 . 3.500 2.431 2.420 2.436 . 0 0 "[ . 1 . 2]" 1
580 1 93 GLU QB 1 94 LYS H 3.500 . 4.500 2.606 2.569 2.646 . 0 0 "[ . 1 . 2]" 1
581 1 93 GLU H 1 93 GLU QG 2.900 . 3.900 2.448 2.430 2.470 . 0 0 "[ . 1 . 2]" 1
582 1 93 GLU QG 1 94 LYS H 5.000 . 6.000 4.184 4.144 4.226 . 0 0 "[ . 1 . 2]" 1
583 1 93 GLU H 1 94 LYS H 2.900 . 2.900 2.569 2.513 2.649 . 0 0 "[ . 1 . 2]" 1
584 1 93 GLU H 1 95 THR H 5.000 . 5.000 4.051 3.970 4.167 . 0 0 "[ . 1 . 2]" 1
585 1 94 LYS HA 1 95 THR H 5.000 . 5.000 3.587 3.567 3.616 . 0 0 "[ . 1 . 2]" 1
586 1 94 LYS HA 1 97 ALA H 3.500 . 3.500 3.341 3.260 3.421 . 0 0 "[ . 1 . 2]" 1
587 1 94 LYS H 1 94 LYS QB 2.900 . 3.500 2.360 2.243 2.457 . 0 0 "[ . 1 . 2]" 1
588 1 94 LYS QB 1 95 THR H 3.500 . 4.500 2.640 2.513 2.767 . 0 0 "[ . 1 . 2]" 1
589 1 94 LYS H 1 94 LYS QD 3.500 . 4.500 4.042 3.712 4.380 . 0 0 "[ . 1 . 2]" 1
590 1 94 LYS QD 1 95 THR H 5.000 . 6.000 4.846 4.523 5.082 . 0 0 "[ . 1 . 2]" 1
591 1 94 LYS H 1 94 LYS QG 3.500 . 4.500 3.184 2.404 4.099 . 0 0 "[ . 1 . 2]" 1
592 1 94 LYS H 1 95 THR H 3.500 . 3.500 2.636 2.587 2.708 . 0 0 "[ . 1 . 2]" 1
593 1 95 THR HA 1 96 GLU H 5.000 . 5.000 3.598 3.568 3.613 . 0 0 "[ . 1 . 2]" 1
594 1 95 THR HA 1 98 LEU H 5.000 . 5.000 3.339 3.111 3.537 . 0 0 "[ . 1 . 2]" 1
595 1 95 THR H 1 95 THR MG 3.500 . 5.000 3.423 2.183 3.801 . 0 0 "[ . 1 . 2]" 1
596 1 95 THR MG 1 96 GLU H 3.500 . 5.000 3.609 3.438 4.057 . 0 0 "[ . 1 . 2]" 1
597 1 95 THR MG 1 99 SER H 5.000 . 6.500 4.111 3.672 5.303 . 0 0 "[ . 1 . 2]" 1
598 1 95 THR H 1 96 GLU QB 5.000 . 6.000 4.614 4.425 4.784 . 0 0 "[ . 1 . 2]" 1
599 1 95 THR H 1 96 GLU H 2.900 . 2.900 2.671 2.559 2.731 . 0 0 "[ . 1 . 2]" 1
600 1 95 THR H 1 97 ALA H 5.000 . 5.000 4.143 4.073 4.203 . 0 0 "[ . 1 . 2]" 1
601 1 96 GLU H 1 96 GLU HA 2.900 . 2.900 2.858 2.848 2.873 . 0 0 "[ . 1 . 2]" 1
602 1 96 GLU HA 1 99 SER H 3.500 . 3.500 3.421 3.358 3.501 0.001 13 0 "[ . 1 . 2]" 1
603 1 96 GLU H 1 96 GLU QB 2.900 . 3.500 2.372 2.311 2.449 . 0 0 "[ . 1 . 2]" 1
604 1 96 GLU QB 1 97 ALA H 3.500 . 4.500 2.550 2.486 2.619 . 0 0 "[ . 1 . 2]" 1
605 1 96 GLU H 1 96 GLU QG 3.500 . 4.500 3.320 2.402 4.045 . 0 0 "[ . 1 . 2]" 1
606 1 96 GLU QG 1 97 ALA H 5.000 . 6.000 3.910 3.650 4.229 . 0 0 "[ . 1 . 2]" 1
607 1 96 GLU H 1 97 ALA MB 5.000 . 6.500 4.422 4.364 4.472 . 0 0 "[ . 1 . 2]" 1
608 1 96 GLU H 1 97 ALA H 2.900 . 2.900 2.660 2.595 2.713 . 0 0 "[ . 1 . 2]" 1
609 1 96 GLU H 1 98 LEU H 5.000 . 5.000 4.081 3.980 4.155 . 0 0 "[ . 1 . 2]" 1
610 1 97 ALA HA 1 100 GLN H 3.500 . 3.500 3.507 3.427 3.576 0.076 5 0 "[ . 1 . 2]" 1
611 1 97 ALA H 1 97 ALA HA 2.900 . 2.900 2.860 2.851 2.871 . 0 0 "[ . 1 . 2]" 1
612 1 97 ALA HA 1 98 LEU H 3.500 . 3.500 3.587 3.578 3.596 0.096 13 0 "[ . 1 . 2]" 1
613 1 97 ALA H 1 97 ALA MB 2.900 . 4.000 2.304 2.298 2.307 . 0 0 "[ . 1 . 2]" 1
614 1 97 ALA MB 1 98 LEU H 2.900 . 4.400 2.538 2.507 2.552 . 0 0 "[ . 1 . 2]" 1
615 1 97 ALA MB 1 99 SER H 5.000 . 6.500 4.477 4.440 4.525 . 0 0 "[ . 1 . 2]" 1
616 1 97 ALA H 1 98 LEU H 2.900 . 2.900 2.639 2.583 2.678 . 0 0 "[ . 1 . 2]" 1
617 1 97 ALA H 1 99 SER H 5.000 . 5.000 4.041 3.994 4.088 . 0 0 "[ . 1 . 2]" 1
618 1 98 LEU HA 1 101 ALA H 2.900 . 2.900 3.088 3.047 3.123 0.223 11 0 "[ . 1 . 2]" 1
619 1 98 LEU HA 1 99 SER H 3.500 . 3.500 3.576 3.571 3.596 0.096 14 0 "[ . 1 . 2]" 1
620 1 98 LEU H 1 98 LEU QB 2.900 . 3.500 2.443 2.434 2.458 . 0 0 "[ . 1 . 2]" 1
621 1 98 LEU QB 1 99 SER H 2.900 . 3.900 2.730 2.686 2.768 . 0 0 "[ . 1 . 2]" 1
622 1 98 LEU QD 1 99 SER H 5.000 . 7.400 4.208 4.187 4.226 . 0 0 "[ . 1 . 2]" 1
623 1 98 LEU H 1 98 LEU HG 3.500 . 3.500 2.488 2.469 2.507 . 0 0 "[ . 1 . 2]" 1
624 1 98 LEU HG 1 99 SER H 5.000 . 5.000 4.518 4.480 4.555 . 0 0 "[ . 1 . 2]" 1
625 1 98 LEU H 1 100 GLN H 5.000 . 5.000 4.170 4.094 4.232 . 0 0 "[ . 1 . 2]" 1
626 1 98 LEU H 1 99 SER H 2.900 . 2.900 2.607 2.563 2.655 . 0 0 "[ . 1 . 2]" 1
627 1 99 SER HA 1 100 GLN H 3.500 . 3.500 3.587 3.576 3.597 0.097 19 0 "[ . 1 . 2]" 1
628 1 99 SER QB 1 100 GLN H 2.900 . 3.900 2.583 2.495 3.500 . 0 0 "[ . 1 . 2]" 1
629 1 99 SER H 1 99 SER QB 2.900 . 3.500 2.437 2.334 2.591 . 0 0 "[ . 1 . 2]" 1
630 1 99 SER H 1 100 GLN QB 5.000 . 6.000 4.679 4.428 4.737 . 0 0 "[ . 1 . 2]" 1
631 1 99 SER H 1 100 GLN H 2.900 . 2.900 2.657 2.631 2.687 . 0 0 "[ . 1 . 2]" 1
632 1 99 SER H 1 101 ALA H 5.000 . 5.000 3.960 3.892 4.062 . 0 0 "[ . 1 . 2]" 1
633 1 100 GLN H 1 100 GLN HA 2.900 . 2.900 2.871 2.848 2.884 . 0 0 "[ . 1 . 2]" 1
634 1 100 GLN HA 1 101 ALA H 3.500 . 3.500 3.581 3.567 3.600 0.100 6 0 "[ . 1 . 2]" 1
635 1 100 GLN H 1 100 GLN QB 2.900 . 3.500 2.421 2.273 2.457 . 0 0 "[ . 1 . 2]" 1
636 1 100 GLN QB 1 101 ALA H 2.900 . 3.900 2.624 2.527 2.649 . 0 0 "[ . 1 . 2]" 1
637 1 100 GLN H 1 100 GLN QG 2.900 . 3.900 2.595 2.421 3.991 0.091 6 0 "[ . 1 . 2]" 1
638 1 100 GLN QG 1 101 ALA H 5.000 . 6.000 4.141 3.733 4.223 . 0 0 "[ . 1 . 2]" 1
639 1 100 GLN H 1 101 ALA H 2.900 . 2.900 2.557 2.508 2.621 . 0 0 "[ . 1 . 2]" 1
640 1 101 ALA H 1 101 ALA HA 2.900 . 2.900 2.847 2.837 2.860 . 0 0 "[ . 1 . 2]" 1
641 1 101 ALA HA 1 102 LEU H 3.500 . 3.500 3.593 3.584 3.604 0.104 10 0 "[ . 1 . 2]" 1
642 1 101 ALA HA 1 103 LYS H 5.000 . 5.000 4.477 4.410 4.610 . 0 0 "[ . 1 . 2]" 1
643 1 101 ALA HA 1 104 GLN H 3.500 . 3.500 3.506 3.400 3.563 0.063 18 0 "[ . 1 . 2]" 1
644 1 101 ALA H 1 101 ALA MB 2.900 . 4.000 2.249 2.141 2.309 . 0 0 "[ . 1 . 2]" 1
645 1 101 ALA MB 1 102 LEU H 2.900 . 4.400 2.564 2.478 2.691 . 0 0 "[ . 1 . 2]" 1
646 1 101 ALA H 1 102 LEU H 2.900 . 2.900 2.682 2.631 2.730 . 0 0 "[ . 1 . 2]" 1
647 1 101 ALA H 1 103 LYS H 5.000 . 5.000 4.186 4.097 4.320 . 0 0 "[ . 1 . 2]" 1
648 1 102 LEU H 1 102 LEU HA 2.900 . 2.900 2.855 2.849 2.860 . 0 0 "[ . 1 . 2]" 1
649 1 102 LEU HA 1 103 LYS H 5.000 . 5.000 3.606 3.589 3.616 . 0 0 "[ . 1 . 2]" 1
650 1 102 LEU HA 1 105 CYS H 5.000 . 5.000 3.468 3.350 3.603 . 0 0 "[ . 1 . 2]" 1
651 1 102 LEU HA 1 106 PHE H 5.000 . 5.000 3.713 3.550 3.895 . 0 0 "[ . 1 . 2]" 1
652 1 102 LEU H 1 102 LEU QB 2.900 . 3.500 2.430 2.410 2.443 . 0 0 "[ . 1 . 2]" 1
653 1 102 LEU QB 1 103 LYS H 3.500 . 4.500 2.598 2.525 2.685 . 0 0 "[ . 1 . 2]" 1
654 1 102 LEU H 1 102 LEU QD 3.500 . 5.200 3.225 3.215 3.239 . 0 0 "[ . 1 . 2]" 1
655 1 102 LEU QD 1 103 LYS H 5.000 . 7.400 4.137 4.092 4.204 . 0 0 "[ . 1 . 2]" 1
656 1 102 LEU H 1 102 LEU HG 3.500 . 3.500 2.464 2.445 2.501 . 0 0 "[ . 1 . 2]" 1
657 1 102 LEU H 1 103 LYS H 3.500 . 3.500 2.678 2.632 2.721 . 0 0 "[ . 1 . 2]" 1
658 1 103 LYS H 1 103 LYS HA 2.900 . 2.900 2.854 2.838 2.871 . 0 0 "[ . 1 . 2]" 1
659 1 103 LYS HA 1 104 GLN H 3.500 . 3.500 3.601 3.590 3.614 0.114 18 0 "[ . 1 . 2]" 1
660 1 103 LYS H 1 103 LYS QB 2.900 . 3.500 2.397 2.258 2.450 . 0 0 "[ . 1 . 2]" 1
661 1 103 LYS H 1 103 LYS QD 3.500 . 4.500 4.002 3.740 4.404 . 0 0 "[ . 1 . 2]" 1
662 1 103 LYS QD 1 104 GLN H 5.000 . 6.000 4.725 4.377 4.937 . 0 0 "[ . 1 . 2]" 1
663 1 103 LYS H 1 103 LYS QG 3.500 . 4.500 2.803 2.370 3.999 . 0 0 "[ . 1 . 2]" 1
664 1 103 LYS H 1 104 GLN H 2.900 . 2.900 2.686 2.628 2.742 . 0 0 "[ . 1 . 2]" 1
665 1 103 LYS H 1 105 CYS H 5.000 . 5.000 4.090 4.008 4.182 . 0 0 "[ . 1 . 2]" 1
666 1 103 LYS H 1 118 ILE MD 3.500 . 5.000 3.772 3.295 4.252 . 0 0 "[ . 1 . 2]" 1
667 1 104 GLN H 1 104 GLN HA 2.900 . 2.900 2.875 2.857 2.885 . 0 0 "[ . 1 . 2]" 1
668 1 104 GLN HA 1 105 CYS H 3.500 . 3.500 3.586 3.568 3.596 0.096 20 0 "[ . 1 . 2]" 1
669 1 104 GLN HA 1 107 ARG H 3.500 . 3.500 3.539 3.433 3.637 0.137 5 0 "[ . 1 . 2]" 1
670 1 104 GLN H 1 104 GLN QB 2.900 . 3.500 2.425 2.272 2.453 . 0 0 "[ . 1 . 2]" 1
671 1 104 GLN QB 1 105 CYS H 3.500 . 4.500 2.633 2.574 2.675 . 0 0 "[ . 1 . 2]" 1
672 1 104 GLN QB 1 106 PHE H 5.000 . 6.000 4.799 4.687 4.897 . 0 0 "[ . 1 . 2]" 1
673 1 104 GLN H 1 104 GLN QG 2.900 . 3.900 2.534 2.436 3.990 0.090 9 0 "[ . 1 . 2]" 1
674 1 104 GLN H 1 105 CYS H 3.500 . 3.500 2.594 2.530 2.627 . 0 0 "[ . 1 . 2]" 1
675 1 104 GLN H 1 106 PHE H 5.000 . 5.000 4.184 4.033 4.299 . 0 0 "[ . 1 . 2]" 1
676 1 105 CYS HA 1 106 PHE H 5.000 . 5.000 3.617 3.583 3.632 . 0 0 "[ . 1 . 2]" 1
677 1 105 CYS HA 1 108 SER H 3.500 . 3.500 3.353 3.260 3.548 0.048 19 0 "[ . 1 . 2]" 1
678 1 105 CYS H 1 105 CYS QB 2.900 . 3.500 2.390 2.322 2.444 . 0 0 "[ . 1 . 2]" 1
679 1 105 CYS QB 1 106 PHE H 5.000 . 6.000 2.631 2.465 2.783 . 0 0 "[ . 1 . 2]" 1
680 1 105 CYS H 1 106 PHE H 3.500 . 3.500 2.689 2.567 2.777 . 0 0 "[ . 1 . 2]" 1
681 1 105 CYS H 1 107 ARG H 5.000 . 5.000 4.111 3.979 4.276 . 0 0 "[ . 1 . 2]" 1
682 1 106 PHE H 1 106 PHE QB 2.900 . 3.500 2.303 2.207 2.365 . 0 0 "[ . 1 . 2]" 1
683 1 106 PHE QB 1 107 ARG H 3.500 . 4.500 2.723 2.656 2.787 . 0 0 "[ . 1 . 2]" 1
684 1 106 PHE H 1 106 PHE HD1 5.000 . 5.000 2.959 2.506 3.277 . 0 0 "[ . 1 . 2]" 1
685 1 106 PHE HD1 1 107 ARG H 5.000 . 5.000 4.834 4.767 4.936 . 0 0 "[ . 1 . 2]" 1
686 1 106 PHE H 1 106 PHE HE1 5.000 . 5.000 5.069 4.939 5.170 0.170 16 0 "[ . 1 . 2]" 1
687 1 106 PHE H 1 107 ARG H 2.900 . 2.900 2.636 2.543 2.729 . 0 0 "[ . 1 . 2]" 1
688 1 106 PHE H 1 108 SER H 5.000 . 5.000 4.002 3.842 4.275 . 0 0 "[ . 1 . 2]" 1
689 1 107 ARG H 1 107 ARG HA 2.900 . 2.900 2.870 2.843 2.904 0.004 14 0 "[ . 1 . 2]" 1
690 1 107 ARG H 1 107 ARG QB 2.900 . 3.500 2.401 2.300 2.598 . 0 0 "[ . 1 . 2]" 1
691 1 107 ARG QB 1 108 SER H 2.900 . 3.900 2.912 2.648 3.687 . 0 0 "[ . 1 . 2]" 1
692 1 107 ARG H 1 107 ARG QD 5.000 . 6.000 4.147 3.815 4.763 . 0 0 "[ . 1 . 2]" 1
693 1 107 ARG H 1 107 ARG QG 3.500 . 4.500 2.997 2.218 4.091 . 0 0 "[ . 1 . 2]" 1
694 1 107 ARG QG 1 108 SER H 5.000 . 6.000 3.968 2.523 4.363 . 0 0 "[ . 1 . 2]" 1
695 1 107 ARG QG 1 111 GLY H 5.000 . 6.000 4.989 4.680 5.351 . 0 0 "[ . 1 . 2]" 1
696 1 107 ARG H 1 108 SER H 2.900 . 2.900 2.600 2.480 2.755 . 0 0 "[ . 1 . 2]" 1
697 1 108 SER H 1 108 SER HA 2.900 . 2.900 2.946 2.906 2.973 0.073 5 0 "[ . 1 . 2]" 1
698 1 108 SER HA 1 109 THR H 5.000 . 5.000 3.405 3.347 3.638 . 0 0 "[ . 1 . 2]" 1
699 1 108 SER H 1 108 SER QB 2.900 . 3.500 2.536 2.425 2.811 . 0 0 "[ . 1 . 2]" 1
700 1 108 SER QB 1 109 THR H 5.000 . 6.000 3.467 2.276 3.964 . 0 0 "[ . 1 . 2]" 1
701 1 108 SER H 1 109 THR H 2.900 . 2.900 2.485 2.376 2.604 . 0 0 "[ . 1 . 2]" 1
702 1 108 SER H 1 110 MET H 5.000 . 5.000 4.863 3.898 5.134 0.134 12 0 "[ . 1 . 2]" 1
703 1 109 THR H 1 109 THR HA 2.900 . 2.900 2.981 2.854 2.995 0.095 2 0 "[ . 1 . 2]" 1
704 1 109 THR HA 1 110 MET H 3.500 . 3.500 3.590 3.552 3.629 0.129 3 0 "[ . 1 . 2]" 1
705 1 109 THR H 1 109 THR HB 3.500 . 3.500 3.470 2.567 3.756 0.256 9 0 "[ . 1 . 2]" 1
706 1 109 THR HB 1 110 MET H 3.500 . 3.500 2.464 1.829 2.874 . 0 0 "[ . 1 . 2]" 1
707 1 109 THR HB 1 111 GLY H 5.000 . 5.000 4.650 4.021 4.962 . 0 0 "[ . 1 . 2]" 1
708 1 109 THR H 1 109 THR MG 3.500 . 5.000 3.308 3.064 3.959 . 0 0 "[ . 1 . 2]" 1
709 1 109 THR MG 1 110 MET H 5.000 . 6.500 3.585 2.888 3.806 . 0 0 "[ . 1 . 2]" 1
710 1 109 THR H 1 110 MET H 2.900 . 2.900 2.672 2.245 2.899 . 0 0 "[ . 1 . 2]" 1
711 1 110 MET H 1 110 MET QB 3.500 . 4.100 2.418 2.303 2.588 . 0 0 "[ . 1 . 2]" 1
712 1 110 MET H 1 110 MET QG 3.500 . 4.500 2.831 2.406 4.160 . 0 0 "[ . 1 . 2]" 1
713 1 110 MET H 1 111 GLY QA 5.000 . 6.000 4.371 4.005 4.438 . 0 0 "[ . 1 . 2]" 1
714 1 110 MET H 1 111 GLY H 2.900 . 2.900 2.449 2.027 2.526 . 0 0 "[ . 1 . 2]" 1
715 1 110 MET H 1 112 THR H 5.000 . 5.000 3.838 3.295 4.131 . 0 0 "[ . 1 . 2]" 1
716 1 111 GLY QA 1 112 THR H 3.500 . 4.500 2.900 2.735 2.960 . 0 0 "[ . 1 . 2]" 1
717 1 111 GLY H 1 112 THR H 2.900 . 2.900 2.299 2.083 2.394 . 0 0 "[ . 1 . 2]" 1
718 1 112 THR H 1 112 THR HA 2.900 . 2.900 2.904 2.289 2.988 0.088 19 0 "[ . 1 . 2]" 1
719 1 112 THR HA 1 113 VAL H 2.900 . 2.900 2.279 2.163 2.425 . 0 0 "[ . 1 . 2]" 1
720 1 112 THR H 1 112 THR HB 3.500 . 3.500 3.231 2.524 3.831 0.331 2 0 "[ . 1 . 2]" 1
721 1 112 THR H 1 112 THR MG 2.900 . 4.400 3.219 2.269 3.983 . 0 0 "[ . 1 . 2]" 1
722 1 112 THR MG 1 113 VAL H 3.500 . 5.000 3.246 2.465 3.771 . 0 0 "[ . 1 . 2]" 1
723 1 112 THR H 1 113 VAL H 5.000 . 5.000 4.326 2.981 4.628 . 0 0 "[ . 1 . 2]" 1
724 1 113 VAL HA 1 114 ASN H 3.500 . 3.500 3.104 2.981 3.583 0.083 12 0 "[ . 1 . 2]" 1
725 1 113 VAL H 1 113 VAL HB 3.500 . 3.500 3.179 2.615 3.713 0.213 4 0 "[ . 1 . 2]" 1
726 1 113 VAL HB 1 114 ASN H 5.000 . 5.000 4.289 3.814 4.559 . 0 0 "[ . 1 . 2]" 1
727 1 113 VAL QG 1 114 ASN H 5.000 . 7.400 3.272 1.954 3.776 . 0 0 "[ . 1 . 2]" 1
728 1 115 ARG HA 1 116 GLN H 5.000 . 5.000 3.230 3.150 3.354 . 0 0 "[ . 1 . 2]" 1
729 1 115 ARG HA 1 118 ILE H 5.000 . 5.000 2.911 2.813 3.096 . 0 0 "[ . 1 . 2]" 1
730 1 115 ARG HA 1 119 THR H 5.000 . 5.000 3.863 3.682 4.038 . 0 0 "[ . 1 . 2]" 1
731 1 116 GLN HA 1 117 PHE H 5.000 . 5.000 3.604 3.590 3.630 . 0 0 "[ . 1 . 2]" 1
732 1 116 GLN HA 1 119 THR H 3.500 . 3.500 3.508 3.379 3.632 0.132 20 0 "[ . 1 . 2]" 1
733 1 116 GLN H 1 116 GLN QB 3.500 . 4.100 2.356 2.304 2.448 . 0 0 "[ . 1 . 2]" 1
734 1 116 GLN QB 1 117 PHE H 3.500 . 4.500 2.576 2.511 2.663 . 0 0 "[ . 1 . 2]" 1
735 1 116 GLN QB 1 118 ILE H 5.000 . 6.000 4.622 4.559 4.695 . 0 0 "[ . 1 . 2]" 1
736 1 116 GLN QG 1 117 PHE H 5.000 . 6.000 3.916 3.656 4.268 . 0 0 "[ . 1 . 2]" 1
737 1 116 GLN H 1 117 PHE H 3.500 . 3.500 2.657 2.602 2.736 . 0 0 "[ . 1 . 2]" 1
738 1 117 PHE HA 1 118 ILE H 5.000 . 5.000 3.561 3.549 3.574 . 0 0 "[ . 1 . 2]" 1
739 1 117 PHE HA 1 120 GLU H 5.000 . 5.000 3.428 3.328 3.503 . 0 0 "[ . 1 . 2]" 1
740 1 117 PHE H 1 117 PHE QB 2.900 . 3.500 2.569 2.549 2.620 . 0 0 "[ . 1 . 2]" 1
741 1 117 PHE QB 1 118 ILE H 3.500 . 4.500 2.480 2.444 2.521 . 0 0 "[ . 1 . 2]" 1
742 1 117 PHE HD1 1 118 ILE H 3.500 . 3.500 3.742 3.694 3.774 0.274 10 0 "[ . 1 . 2]" 1
743 1 117 PHE H 1 118 ILE H 3.500 . 3.500 2.469 2.422 2.544 . 0 0 "[ . 1 . 2]" 1
744 1 117 PHE H 1 119 THR H 5.000 . 5.000 4.061 4.017 4.104 . 0 0 "[ . 1 . 2]" 1
745 1 118 ILE HA 1 119 THR H 5.000 . 5.000 3.592 3.583 3.601 . 0 0 "[ . 1 . 2]" 1
746 1 118 ILE HA 1 121 ILE H 5.000 . 5.000 3.569 3.443 3.750 . 0 0 "[ . 1 . 2]" 1
747 1 118 ILE H 1 118 ILE HB 3.500 . 3.500 2.455 2.416 2.470 . 0 0 "[ . 1 . 2]" 1
748 1 118 ILE HB 1 119 THR H 3.500 . 3.500 2.502 2.470 2.530 . 0 0 "[ . 1 . 2]" 1
749 1 118 ILE H 1 118 ILE MD 3.500 . 5.000 3.455 3.396 3.503 . 0 0 "[ . 1 . 2]" 1
750 1 118 ILE H 1 118 ILE HG13 3.500 . 3.500 2.197 2.165 2.222 . 0 0 "[ . 1 . 2]" 1
751 1 118 ILE H 1 118 ILE HG12 3.500 . 3.500 3.577 3.551 3.590 0.090 17 0 "[ . 1 . 2]" 1
752 1 118 ILE HG12 1 119 THR H 5.000 . 5.000 5.013 4.995 5.032 0.032 20 0 "[ . 1 . 2]" 1
753 1 118 ILE H 1 118 ILE MG 3.500 . 5.000 3.763 3.746 3.773 . 0 0 "[ . 1 . 2]" 1
754 1 118 ILE MG 1 119 THR H 3.500 . 5.000 3.231 3.182 3.262 . 0 0 "[ . 1 . 2]" 1
755 1 118 ILE H 1 119 THR H 3.500 . 3.500 2.689 2.652 2.719 . 0 0 "[ . 1 . 2]" 1
756 1 119 THR H 1 119 THR HA 2.900 . 2.900 2.853 2.847 2.872 . 0 0 "[ . 1 . 2]" 1
757 1 119 THR HA 1 120 GLU H 5.000 . 5.000 3.616 3.606 3.621 . 0 0 "[ . 1 . 2]" 1
758 1 119 THR HA 1 122 LYS H 5.000 . 5.000 3.540 3.417 3.653 . 0 0 "[ . 1 . 2]" 1
759 1 119 THR H 1 119 THR HB 2.900 . 2.900 2.560 2.545 2.568 . 0 0 "[ . 1 . 2]" 1
760 1 119 THR HB 1 120 GLU H 2.900 . 2.900 2.540 2.504 2.586 . 0 0 "[ . 1 . 2]" 1
761 1 119 THR HB 1 121 ILE H 5.000 . 5.000 4.995 4.956 5.033 0.033 12 0 "[ . 1 . 2]" 1
762 1 119 THR H 1 119 THR MG 3.500 . 5.000 3.788 3.783 3.793 . 0 0 "[ . 1 . 2]" 1
763 1 119 THR MG 1 120 GLU H 3.500 . 5.000 3.440 3.403 3.491 . 0 0 "[ . 1 . 2]" 1
764 1 119 THR H 1 121 ILE H 5.000 . 5.000 4.161 4.110 4.205 . 0 0 "[ . 1 . 2]" 1
765 1 120 GLU HA 1 121 ILE H 5.000 . 5.000 3.606 3.598 3.611 . 0 0 "[ . 1 . 2]" 1
766 1 120 GLU HA 1 122 LYS H 5.000 . 5.000 4.551 4.461 4.624 . 0 0 "[ . 1 . 2]" 1
767 1 120 GLU HA 1 123 HIS H 3.500 . 3.500 3.425 3.280 3.547 0.047 8 0 "[ . 1 . 2]" 1
768 1 120 GLU H 1 120 GLU QB 3.500 . 4.100 2.431 2.270 2.447 . 0 0 "[ . 1 . 2]" 1
769 1 120 GLU QB 1 121 ILE H 5.000 . 6.000 2.626 2.489 2.718 . 0 0 "[ . 1 . 2]" 1
770 1 120 GLU H 1 120 GLU QG 2.900 . 3.900 2.516 2.416 3.994 0.094 1 0 "[ . 1 . 2]" 1
771 1 120 GLU QG 1 121 ILE H 5.000 . 6.000 4.213 3.639 4.317 . 0 0 "[ . 1 . 2]" 1
772 1 120 GLU H 1 121 ILE H 2.900 . 2.900 2.692 2.663 2.731 . 0 0 "[ . 1 . 2]" 1
773 1 121 ILE HA 1 122 LYS H 3.500 . 3.500 3.600 3.592 3.614 0.114 18 0 "[ . 1 . 2]" 1
774 1 121 ILE HA 1 123 HIS H 5.000 . 5.000 4.501 4.415 4.562 . 0 0 "[ . 1 . 2]" 1
775 1 121 ILE HA 1 124 LEU H 3.500 . 3.500 3.540 3.429 3.622 0.122 3 0 "[ . 1 . 2]" 1
776 1 121 ILE H 1 121 ILE HB 2.900 . 2.900 2.450 2.436 2.471 . 0 0 "[ . 1 . 2]" 1
777 1 121 ILE HB 1 122 LYS H 2.900 . 2.900 2.549 2.514 2.584 . 0 0 "[ . 1 . 2]" 1
778 1 121 ILE H 1 121 ILE MD 3.500 . 5.000 3.522 3.445 3.607 . 0 0 "[ . 1 . 2]" 1
779 1 121 ILE MD 1 122 LYS H 5.000 . 6.500 4.570 4.439 4.729 . 0 0 "[ . 1 . 2]" 1
780 1 121 ILE H 1 121 ILE HG13 3.500 . 3.500 2.851 2.290 3.684 0.184 8 0 "[ . 1 . 2]" 1
781 1 121 ILE H 1 121 ILE HG12 3.500 . 3.500 3.120 2.266 3.677 0.177 12 0 "[ . 1 . 2]" 1
782 1 121 ILE H 1 121 ILE MG 2.900 . 4.400 3.774 3.768 3.782 . 0 0 "[ . 1 . 2]" 1
783 1 121 ILE MG 1 122 LYS H 3.500 . 5.000 3.208 3.175 3.286 . 0 0 "[ . 1 . 2]" 1
784 1 121 ILE H 1 122 LYS QB 5.000 . 6.000 4.561 4.468 4.762 . 0 0 "[ . 1 . 2]" 1
785 1 122 LYS HA 1 123 HIS H 3.500 . 3.500 3.589 3.570 3.608 0.108 17 0 "[ . 1 . 2]" 1
786 1 122 LYS HA 1 125 MET H 3.500 . 3.500 3.497 3.279 3.608 0.108 10 0 "[ . 1 . 2]" 1
787 1 122 LYS H 1 122 LYS QB 2.900 . 3.500 2.341 2.299 2.443 . 0 0 "[ . 1 . 2]" 1
788 1 122 LYS H 1 123 HIS H 2.900 . 2.900 2.664 2.599 2.713 . 0 0 "[ . 1 . 2]" 1
789 1 122 LYS H 1 124 LEU H 5.000 . 5.000 4.237 4.125 4.301 . 0 0 "[ . 1 . 2]" 1
790 1 123 HIS HA 1 124 LEU H 5.000 . 5.000 3.618 3.605 3.627 . 0 0 "[ . 1 . 2]" 1
791 1 123 HIS HA 1 126 THR H 5.000 . 5.000 3.540 3.343 3.640 . 0 0 "[ . 1 . 2]" 1
792 1 123 HIS H 1 123 HIS QB 2.900 . 3.500 2.326 2.285 2.406 . 0 0 "[ . 1 . 2]" 1
793 1 123 HIS QB 1 124 LEU H 3.500 . 4.500 2.500 2.419 2.675 . 0 0 "[ . 1 . 2]" 1
794 1 123 HIS H 1 124 LEU H 2.900 . 2.900 2.729 2.657 2.767 . 0 0 "[ . 1 . 2]" 1
795 1 123 HIS H 1 125 MET H 5.000 . 5.000 4.086 3.919 4.235 . 0 0 "[ . 1 . 2]" 1
796 1 124 LEU HA 1 125 MET H 3.500 . 3.500 3.582 3.555 3.612 0.112 10 0 "[ . 1 . 2]" 1
797 1 124 LEU HA 1 127 MET H 5.000 . 5.000 3.356 3.160 3.441 . 0 0 "[ . 1 . 2]" 1
798 1 124 LEU H 1 124 LEU QB 2.900 . 3.500 2.442 2.434 2.451 . 0 0 "[ . 1 . 2]" 1
799 1 124 LEU QB 1 125 MET H 3.500 . 4.500 2.634 2.600 2.685 . 0 0 "[ . 1 . 2]" 1
800 1 124 LEU H 1 124 LEU QD 3.500 . 5.200 3.219 3.202 3.242 . 0 0 "[ . 1 . 2]" 1
801 1 124 LEU QD 1 125 MET H 3.500 . 5.900 4.151 4.126 4.172 . 0 0 "[ . 1 . 2]" 1
802 1 124 LEU H 1 124 LEU HG 3.500 . 3.500 2.451 2.418 2.493 . 0 0 "[ . 1 . 2]" 1
803 1 124 LEU H 1 125 MET H 3.500 . 3.500 2.631 2.546 2.732 . 0 0 "[ . 1 . 2]" 1
804 1 124 LEU H 1 126 THR H 5.000 . 5.000 4.182 4.088 4.266 . 0 0 "[ . 1 . 2]" 1
805 1 125 MET HA 1 126 THR H 5.000 . 5.000 3.594 3.580 3.603 . 0 0 "[ . 1 . 2]" 1
806 1 125 MET HA 1 128 PHE H 3.500 . 3.500 3.585 3.477 3.660 0.160 12 0 "[ . 1 . 2]" 1
807 1 125 MET H 1 125 MET QB 2.900 . 3.500 2.334 2.278 2.465 . 0 0 "[ . 1 . 2]" 1
808 1 125 MET QB 1 126 THR H 3.500 . 4.500 2.503 2.432 2.606 . 0 0 "[ . 1 . 2]" 1
809 1 125 MET H 1 125 MET QG 3.500 . 4.500 3.637 2.443 4.077 . 0 0 "[ . 1 . 2]" 1
810 1 125 MET H 1 126 THR H 2.900 . 2.900 2.675 2.606 2.712 . 0 0 "[ . 1 . 2]" 1
811 1 126 THR H 1 126 THR HA 2.900 . 2.900 2.866 2.855 2.877 . 0 0 "[ . 1 . 2]" 1
812 1 126 THR HA 1 127 MET H 5.000 . 5.000 3.593 3.577 3.617 . 0 0 "[ . 1 . 2]" 1
813 1 126 THR HA 1 129 ALA H 5.000 . 5.000 3.577 3.355 3.688 . 0 0 "[ . 1 . 2]" 1
814 1 126 THR H 1 126 THR HB 2.900 . 2.900 2.562 2.554 2.568 . 0 0 "[ . 1 . 2]" 1
815 1 126 THR HB 1 127 MET H 3.500 . 3.500 2.565 2.524 2.598 . 0 0 "[ . 1 . 2]" 1
816 1 126 THR H 1 126 THR MG 3.500 . 5.000 3.792 3.790 3.796 . 0 0 "[ . 1 . 2]" 1
817 1 126 THR MG 1 127 MET H 3.500 . 5.000 3.483 3.426 3.525 . 0 0 "[ . 1 . 2]" 1
818 1 126 THR H 1 127 MET H 2.900 . 2.900 2.620 2.566 2.704 . 0 0 "[ . 1 . 2]" 1
819 1 126 THR H 1 128 PHE H 5.000 . 5.000 4.191 4.115 4.244 . 0 0 "[ . 1 . 2]" 1
820 1 127 MET H 1 127 MET HA 2.900 . 2.900 2.848 2.839 2.863 . 0 0 "[ . 1 . 2]" 1
821 1 127 MET HA 1 128 PHE H 3.500 . 3.500 3.612 3.593 3.622 0.122 12 0 "[ . 1 . 2]" 1
822 1 127 MET HA 1 130 ALA H 3.500 . 3.500 3.517 3.396 3.584 0.084 1 0 "[ . 1 . 2]" 1
823 1 127 MET H 1 127 MET QB 2.900 . 3.500 2.339 2.292 2.447 . 0 0 "[ . 1 . 2]" 1
824 1 127 MET QB 1 128 PHE H 3.500 . 4.500 2.587 2.507 2.715 . 0 0 "[ . 1 . 2]" 1
825 1 127 MET H 1 127 MET QG 3.500 . 4.500 3.547 2.358 4.064 . 0 0 "[ . 1 . 2]" 1
826 1 127 MET QG 1 128 PHE H 5.000 . 6.000 3.870 3.600 4.267 . 0 0 "[ . 1 . 2]" 1
827 1 127 MET H 1 128 PHE H 2.900 . 2.900 2.730 2.658 2.768 . 0 0 "[ . 1 . 2]" 1
828 1 128 PHE HA 1 129 ALA H 5.000 . 5.000 3.575 3.546 3.586 . 0 0 "[ . 1 . 2]" 1
829 1 128 PHE HA 1 130 ALA H 5.000 . 5.000 4.393 4.297 4.453 . 0 0 "[ . 1 . 2]" 1
830 1 128 PHE HA 1 131 GLU H 3.500 . 3.500 3.432 3.272 3.539 0.039 1 0 "[ . 1 . 2]" 1
831 1 128 PHE H 1 128 PHE QB 2.900 . 3.500 2.331 2.229 2.366 . 0 0 "[ . 1 . 2]" 1
832 1 128 PHE QB 1 129 ALA H 3.500 . 4.500 2.660 2.620 2.757 . 0 0 "[ . 1 . 2]" 1
833 1 73 ALA MB 1 128 PHE QD 5.000 . 8.000 4.488 3.450 5.775 . 0 0 "[ . 1 . 2]" 1
834 1 77 ALA MB 1 128 PHE QD 5.000 . 8.000 3.269 2.472 3.849 . 0 0 "[ . 1 . 2]" 1
835 1 73 ALA MB 1 128 PHE QE 5.000 . 8.000 4.360 3.074 5.879 . 0 0 "[ . 1 . 2]" 1
836 1 128 PHE H 1 129 ALA MB 3.500 . 5.000 4.312 4.212 4.365 . 0 0 "[ . 1 . 2]" 1
837 1 129 ALA H 1 129 ALA HA 2.900 . 2.900 2.856 2.841 2.864 . 0 0 "[ . 1 . 2]" 1
838 1 129 ALA HA 1 130 ALA H 3.500 . 3.500 3.584 3.573 3.592 0.092 16 0 "[ . 1 . 2]" 1
839 1 129 ALA HA 1 132 ALA H 3.500 . 3.500 3.332 3.259 3.468 . 0 0 "[ . 1 . 2]" 1
840 1 129 ALA H 1 129 ALA MB 2.900 . 4.000 2.297 2.269 2.309 . 0 0 "[ . 1 . 2]" 1
841 1 129 ALA H 1 130 ALA H 2.900 . 2.900 2.626 2.576 2.666 . 0 0 "[ . 1 . 2]" 1
842 1 129 ALA H 1 131 GLU H 5.000 . 5.000 4.145 4.101 4.205 . 0 0 "[ . 1 . 2]" 1
843 1 130 ALA H 1 130 ALA HA 2.900 . 2.900 2.853 2.847 2.858 . 0 0 "[ . 1 . 2]" 1
844 1 130 ALA HA 1 131 GLU H 3.500 . 3.500 3.594 3.588 3.601 0.101 19 0 "[ . 1 . 2]" 1
845 1 130 ALA HA 1 133 ALA H 3.500 . 3.500 3.424 3.327 3.505 0.005 16 0 "[ . 1 . 2]" 1
846 1 130 ALA H 1 130 ALA MB 2.900 . 4.000 2.301 2.287 2.307 . 0 0 "[ . 1 . 2]" 1
847 1 130 ALA MB 1 131 GLU H 2.900 . 4.400 2.537 2.517 2.560 . 0 0 "[ . 1 . 2]" 1
848 1 131 GLU H 1 131 GLU HA 2.900 . 2.900 2.869 2.859 2.876 . 0 0 "[ . 1 . 2]" 1
849 1 131 GLU HA 1 132 ALA H 3.500 . 3.500 3.583 3.575 3.591 0.091 17 0 "[ . 1 . 2]" 1
850 1 131 GLU HA 1 134 GLN H 3.500 . 3.500 3.375 3.291 3.449 . 0 0 "[ . 1 . 2]" 1
851 1 131 GLU H 1 131 GLU QB 2.900 . 3.500 2.385 2.309 2.440 . 0 0 "[ . 1 . 2]" 1
852 1 131 GLU QB 1 132 ALA H 2.900 . 3.900 2.570 2.506 2.619 . 0 0 "[ . 1 . 2]" 1
853 1 131 GLU H 1 131 GLU QG 3.500 . 4.500 3.094 2.445 4.108 . 0 0 "[ . 1 . 2]" 1
854 1 131 GLU QG 1 132 ALA H 5.000 . 6.000 3.988 3.663 4.202 . 0 0 "[ . 1 . 2]" 1
855 1 131 GLU H 1 132 ALA H 2.900 . 2.900 2.595 2.559 2.629 . 0 0 "[ . 1 . 2]" 1
856 1 132 ALA H 1 132 ALA HA 2.900 . 2.900 2.856 2.853 2.862 . 0 0 "[ . 1 . 2]" 1
857 1 132 ALA HA 1 135 GLU H 3.500 . 3.500 3.324 3.276 3.365 . 0 0 "[ . 1 . 2]" 1
858 1 132 ALA H 1 132 ALA MB 2.900 . 4.000 2.301 2.283 2.304 . 0 0 "[ . 1 . 2]" 1
859 1 132 ALA H 1 133 ALA H 2.900 . 2.900 2.636 2.620 2.660 . 0 0 "[ . 1 . 2]" 1
860 1 133 ALA H 1 133 ALA HA 2.900 . 2.900 2.855 2.851 2.859 . 0 0 "[ . 1 . 2]" 1
861 1 133 ALA HA 1 136 ALA H 2.900 . 2.900 3.152 3.127 3.190 0.290 8 0 "[ . 1 . 2]" 1
862 1 133 ALA H 1 133 ALA MB 2.900 . 4.000 2.310 2.308 2.313 . 0 0 "[ . 1 . 2]" 1
863 1 133 ALA MB 1 134 GLN H 2.900 . 4.400 2.608 2.594 2.615 . 0 0 "[ . 1 . 2]" 1
864 1 133 ALA H 1 134 GLN H 2.900 . 2.900 2.647 2.625 2.670 . 0 0 "[ . 1 . 2]" 1
865 1 134 GLN H 1 134 GLN HA 2.900 . 2.900 2.857 2.851 2.864 . 0 0 "[ . 1 . 2]" 1
866 1 134 GLN HA 1 137 ALA H 3.500 . 3.500 3.403 3.288 3.506 0.006 16 0 "[ . 1 . 2]" 1
867 1 134 GLN H 1 134 GLN QB 2.900 . 3.500 2.369 2.311 2.458 . 0 0 "[ . 1 . 2]" 1
868 1 134 GLN QB 1 135 GLU H 2.900 . 3.900 2.579 2.541 2.637 . 0 0 "[ . 1 . 2]" 1
869 1 134 GLN H 1 134 GLN QG 3.500 . 4.500 3.402 2.419 4.132 . 0 0 "[ . 1 . 2]" 1
870 1 134 GLN QG 1 135 GLU H 5.000 . 6.000 3.947 3.771 4.209 . 0 0 "[ . 1 . 2]" 1
871 1 134 GLN H 1 135 GLU QB 5.000 . 6.000 4.543 4.417 4.677 . 0 0 "[ . 1 . 2]" 1
872 1 134 GLN H 1 135 GLU H 2.900 . 2.900 2.610 2.578 2.633 . 0 0 "[ . 1 . 2]" 1
873 1 135 GLU H 1 135 GLU HA 2.900 . 2.900 2.866 2.859 2.872 . 0 0 "[ . 1 . 2]" 1
874 1 135 GLU HA 1 138 ALA H 3.500 . 3.500 3.331 3.291 3.408 . 0 0 "[ . 1 . 2]" 1
875 1 135 GLU H 1 135 GLU QB 2.900 . 3.500 2.364 2.300 2.433 . 0 0 "[ . 1 . 2]" 1
876 1 135 GLU QB 1 136 ALA H 2.900 . 3.900 2.603 2.551 2.646 . 0 0 "[ . 1 . 2]" 1
877 1 135 GLU H 1 135 GLU QG 3.500 . 4.500 3.332 2.433 4.125 . 0 0 "[ . 1 . 2]" 1
878 1 135 GLU QG 1 136 ALA H 5.000 . 6.000 3.961 3.665 4.230 . 0 0 "[ . 1 . 2]" 1
879 1 135 GLU H 1 136 ALA H 2.900 . 2.900 2.617 2.594 2.654 . 0 0 "[ . 1 . 2]" 1
880 1 136 ALA H 1 136 ALA HA 2.900 . 2.900 2.858 2.854 2.862 . 0 0 "[ . 1 . 2]" 1
881 1 136 ALA H 1 136 ALA MB 2.900 . 4.000 2.306 2.303 2.308 . 0 0 "[ . 1 . 2]" 1
882 1 136 ALA H 1 137 ALA H 2.900 . 2.900 2.630 2.604 2.645 . 0 0 "[ . 1 . 2]" 1
883 1 137 ALA H 1 137 ALA HA 2.900 . 2.900 2.855 2.849 2.862 . 0 0 "[ . 1 . 2]" 1
884 1 137 ALA H 1 137 ALA MB 2.900 . 4.000 2.298 2.295 2.301 . 0 0 "[ . 1 . 2]" 1
885 1 137 ALA H 1 138 ALA H 2.900 . 2.900 2.628 2.599 2.651 . 0 0 "[ . 1 . 2]" 1
886 1 138 ALA H 1 138 ALA HA 2.900 . 2.900 2.854 2.843 2.862 . 0 0 "[ . 1 . 2]" 1
887 1 138 ALA HA 1 139 GLY H 3.500 . 3.500 3.580 3.573 3.602 0.102 9 0 "[ . 1 . 2]" 1
888 1 138 ALA H 1 138 ALA MB 2.900 . 4.000 2.307 2.304 2.310 . 0 0 "[ . 1 . 2]" 1
889 1 138 ALA MB 1 139 GLY H 5.000 . 6.500 2.547 2.494 2.626 . 0 0 "[ . 1 . 2]" 1
890 1 138 ALA H 1 139 GLY H 3.500 . 3.500 2.619 2.591 2.680 . 0 0 "[ . 1 . 2]" 1
891 1 139 GLY QA 1 140 ASP H 3.500 . 4.500 2.458 2.136 2.960 . 0 0 "[ . 1 . 2]" 1
892 1 139 GLY H 1 141 ASN H 5.000 . 5.000 4.683 3.728 5.122 0.122 10 0 "[ . 1 . 2]" 1
893 1 140 ASP HA 1 141 ASN H 5.000 . 5.000 3.003 2.203 3.614 . 0 0 "[ . 1 . 2]" 1
894 1 140 ASP H 1 140 ASP QB 3.500 . 4.100 2.581 2.365 3.037 . 0 0 "[ . 1 . 2]" 1
895 1 7 SER HB3 1 10 ALA MB 5.000 . 6.500 2.172 1.927 2.457 . 0 0 "[ . 1 . 2]" 1
896 1 8 PRO HA 1 110 MET ME 3.500 . 5.000 3.570 2.115 4.153 . 0 0 "[ . 1 . 2]" 1
897 1 9 TRP HA 1 15 ALA MB 5.000 . 6.500 2.460 1.984 3.398 . 0 0 "[ . 1 . 2]" 1
898 1 9 TRP QB 1 65 LEU QD 5.000 . 8.400 2.496 1.894 3.813 . 0 0 "[ . 1 . 2]" 1
899 1 10 ALA MB 1 65 LEU QD 3.500 . 7.400 2.268 1.694 3.720 0.106 19 0 "[ . 1 . 2]" 1
900 1 54 VAL QG 1 63 ALA MB 3.500 . 7.400 4.485 4.149 4.646 . 0 0 "[ . 1 . 2]" 1
901 1 12 PRO HA 1 15 ALA MB 3.500 . 5.000 2.152 1.935 2.351 . 0 0 "[ . 1 . 2]" 1
902 1 15 ALA MB 1 48 MET ME 3.500 . 6.500 4.231 3.038 4.478 . 0 0 "[ . 1 . 2]" 1
903 1 15 ALA MB 1 51 ILE MD 3.500 . 6.500 3.368 2.390 4.319 . 0 0 "[ . 1 . 2]" 1
904 1 16 ASN HA 1 19 MET ME 5.000 . 6.500 2.288 1.922 2.831 . 0 0 "[ . 1 . 2]" 1
905 1 16 ASN HA 1 48 MET ME 5.000 . 6.500 2.752 2.217 3.404 . 0 0 "[ . 1 . 2]" 1
906 1 16 ASN QB 1 48 MET ME 3.500 . 6.000 3.587 2.477 4.397 . 0 0 "[ . 1 . 2]" 1
907 1 17 ALA MB 1 109 THR MG 3.500 . 6.500 2.402 1.921 2.983 . 0 0 "[ . 1 . 2]" 1
908 1 21 CYS QB 1 109 THR MG 3.500 . 6.500 4.051 3.204 4.744 . 0 0 "[ . 1 . 2]" 1
909 1 18 PHE HE1 1 102 LEU QD 5.000 . 7.400 2.964 2.248 3.852 . 0 0 "[ . 1 . 2]" 1
910 1 18 PHE HZ 1 102 LEU QD 5.000 . 7.400 2.606 2.141 3.389 . 0 0 "[ . 1 . 2]" 1
911 1 18 PHE HZ 1 22 LEU QD 5.000 . 7.400 2.506 2.316 2.708 . 0 0 "[ . 1 . 2]" 1
912 1 19 MET HA 1 48 MET ME 5.000 . 6.500 5.538 4.815 5.696 . 0 0 "[ . 1 . 2]" 1
913 1 19 MET ME 1 44 VAL QG 3.500 . 7.400 3.952 2.041 4.390 . 0 0 "[ . 1 . 2]" 1
914 1 19 MET ME 1 48 MET QB 5.000 . 7.500 4.601 3.168 5.581 . 0 0 "[ . 1 . 2]" 1
915 1 12 PRO HA 1 51 ILE MG 5.000 . 6.500 4.016 2.556 4.971 . 0 0 "[ . 1 . 2]" 1
916 1 12 PRO QB 1 51 ILE MG 3.500 . 6.500 3.065 2.125 4.423 . 0 0 "[ . 1 . 2]" 1
917 1 12 PRO QG 1 51 ILE MG 3.500 . 6.500 4.188 3.238 4.771 . 0 0 "[ . 1 . 2]" 1
918 1 20 LYS HA 1 23 ILE MD 3.500 . 5.000 3.719 2.261 4.544 . 0 0 "[ . 1 . 2]" 1
919 1 22 LEU HA 1 22 LEU QD 3.500 . 5.200 1.965 1.879 2.184 . 0 0 "[ . 1 . 2]" 1
920 1 22 LEU QD 1 101 ALA MB 3.500 . 7.400 2.680 2.054 3.436 . 0 0 "[ . 1 . 2]" 1
921 1 22 LEU QD 1 102 LEU HA 5.000 . 7.400 2.762 2.154 3.970 . 0 0 "[ . 1 . 2]" 1
922 1 22 LEU QD 1 102 LEU QD 3.500 . 8.300 1.792 1.680 1.918 0.120 2 0 "[ . 1 . 2]" 1
923 1 23 ILE HA 1 26 ILE MD 5.000 . 6.500 2.929 2.330 5.065 . 0 0 "[ . 1 . 2]" 1
924 1 23 ILE HA 1 40 MET ME 5.000 . 6.500 3.148 2.504 5.009 . 0 0 "[ . 1 . 2]" 1
925 1 23 ILE HB 1 44 VAL QG 5.000 . 7.400 3.753 3.355 4.337 . 0 0 "[ . 1 . 2]" 1
926 1 23 ILE MD 1 44 VAL QG 3.500 . 7.400 1.927 1.704 2.410 0.096 12 0 "[ . 1 . 2]" 1
927 1 23 ILE MD 1 76 MET ME 2.700 . 5.700 3.165 2.174 4.028 . 0 0 "[ . 1 . 2]" 1
928 1 23 ILE MG 1 40 MET ME 3.500 . 6.500 1.962 1.768 2.536 0.032 5 0 "[ . 1 . 2]" 1
929 1 23 ILE MG 1 44 VAL QG 2.700 . 6.600 2.383 1.854 3.149 . 0 0 "[ . 1 . 2]" 1
930 1 23 ILE MG 1 76 MET ME 3.500 . 6.500 4.415 4.278 4.579 . 0 0 "[ . 1 . 2]" 1
931 1 24 GLN HA 1 40 MET ME 3.500 . 5.000 4.234 4.054 4.352 . 0 0 "[ . 1 . 2]" 1
932 1 25 LYS HA 1 28 VAL QG 2.700 . 5.100 2.302 1.897 3.542 . 0 0 "[ . 1 . 2]" 1
933 1 26 ILE MD 1 76 MET ME 3.500 . 6.500 2.705 2.188 4.344 . 0 0 "[ . 1 . 2]" 1
934 1 26 ILE MD 1 79 LEU QD 5.000 . 8.900 3.371 1.806 4.919 . 0 0 "[ . 1 . 2]" 1
935 1 26 ILE MD 1 98 LEU QD 3.500 . 7.400 2.646 1.719 3.310 0.081 13 0 "[ . 1 . 2]" 1
936 1 26 ILE MG 1 40 MET ME 3.500 . 6.500 2.633 2.031 4.368 . 0 0 "[ . 1 . 2]" 1
937 1 27 SER HA 1 40 MET ME 5.000 . 6.500 3.132 2.741 3.957 . 0 0 "[ . 1 . 2]" 1
938 1 30 PRO QB 1 31 VAL QG 5.000 . 8.400 3.830 2.364 4.806 . 0 0 "[ . 1 . 2]" 1
939 1 31 VAL QG 1 94 LYS HA 5.000 . 7.400 3.558 2.893 4.398 . 0 0 "[ . 1 . 2]" 1
940 1 31 VAL QG 1 97 ALA MB 2.700 . 6.600 3.752 3.391 4.024 . 0 0 "[ . 1 . 2]" 1
941 1 37 LYS HA 1 40 MET ME 5.000 . 6.500 3.263 1.935 4.103 . 0 0 "[ . 1 . 2]" 1
942 1 40 MET HA 1 43 ILE MD 3.500 . 5.000 2.228 2.033 2.435 . 0 0 "[ . 1 . 2]" 1
943 1 41 GLU HA 1 44 VAL QG 5.000 . 7.400 2.862 2.325 3.296 . 0 0 "[ . 1 . 2]" 1
944 1 43 ILE HA 1 43 ILE MG 3.500 . 5.000 2.391 2.354 2.439 . 0 0 "[ . 1 . 2]" 1
945 1 43 ILE MD 1 76 MET ME 5.000 . 8.000 4.124 3.380 4.839 . 0 0 "[ . 1 . 2]" 1
946 1 43 ILE MG 1 76 MET ME 2.700 . 5.700 3.655 3.087 3.959 . 0 0 "[ . 1 . 2]" 1
947 1 47 MET HA 1 47 MET ME 5.000 . 6.500 3.474 2.111 4.038 . 0 0 "[ . 1 . 2]" 1
948 1 47 MET HA 1 50 ALA MB 5.000 . 6.500 2.632 2.409 2.941 . 0 0 "[ . 1 . 2]" 1
949 1 47 MET ME 1 68 MET HA 5.000 . 6.500 4.185 2.840 5.350 . 0 0 "[ . 1 . 2]" 1
950 1 47 MET ME 1 68 MET ME 5.000 . 8.000 4.201 3.062 5.335 . 0 0 "[ . 1 . 2]" 1
951 1 47 MET ME 1 71 ALA MB 2.700 . 5.700 2.280 1.880 3.282 . 0 0 "[ . 1 . 2]" 1
952 1 47 MET ME 1 72 PHE QB 5.000 . 7.500 3.647 1.949 4.412 . 0 0 "[ . 1 . 2]" 1
953 1 47 MET ME 1 72 PHE HD1 5.000 . 6.500 4.883 2.165 5.507 . 0 0 "[ . 1 . 2]" 1
954 1 48 MET ME 1 51 ILE MD 5.000 . 8.000 4.583 3.790 5.504 . 0 0 "[ . 1 . 2]" 1
955 1 50 ALA HA 1 68 MET ME 5.000 . 6.500 4.427 3.700 5.316 . 0 0 "[ . 1 . 2]" 1
956 1 50 ALA MB 1 68 MET ME 2.700 . 5.700 2.472 1.926 3.803 . 0 0 "[ . 1 . 2]" 1
957 1 51 ILE HA 1 54 VAL QG 5.000 . 7.400 3.260 2.515 3.702 . 0 0 "[ . 1 . 2]" 1
958 1 51 ILE HA 1 68 MET ME 3.500 . 5.000 3.106 1.962 4.139 . 0 0 "[ . 1 . 2]" 1
959 1 51 ILE MD 1 68 MET ME 3.500 . 6.500 2.738 1.901 4.197 . 0 0 "[ . 1 . 2]" 1
960 1 70 MET ME 1 124 LEU QD 3.500 . 6.500 2.750 1.794 4.039 0.006 6 0 "[ . 1 . 2]" 1
961 1 54 VAL QG 1 64 THR MG 3.500 . 7.400 1.923 1.792 2.305 0.008 11 0 "[ . 1 . 2]" 1
962 1 54 VAL QG 1 68 MET ME 2.700 . 6.600 2.476 1.691 3.715 0.109 11 0 "[ . 1 . 2]" 1
963 1 64 THR HA 1 64 THR MG 3.500 . 5.000 2.294 2.204 2.350 . 0 0 "[ . 1 . 2]" 1
964 1 64 THR MG 1 68 MET ME 2.700 . 5.700 3.201 2.057 3.835 . 0 0 "[ . 1 . 2]" 1
965 1 67 ALA HA 1 70 MET ME 5.000 . 6.500 4.848 3.615 5.493 . 0 0 "[ . 1 . 2]" 1
966 1 69 ASN QB 1 121 ILE MD 5.000 . 7.500 4.868 4.006 5.462 . 0 0 "[ . 1 . 2]" 1
967 1 70 MET HA 1 73 ALA MB 5.000 . 6.500 2.810 2.425 3.042 . 0 0 "[ . 1 . 2]" 1
968 1 73 ALA HA 1 76 MET ME 5.000 . 6.500 5.429 5.307 5.597 . 0 0 "[ . 1 . 2]" 1
969 1 73 ALA MB 1 102 LEU QD 5.000 . 8.900 5.288 4.559 5.477 . 0 0 "[ . 1 . 2]" 1
970 1 73 ALA MB 1 121 ILE MD 5.000 . 8.000 2.913 1.852 3.990 . 0 0 "[ . 1 . 2]" 1
971 1 73 ALA MB 1 121 ILE MG 5.000 . 8.000 2.363 1.972 2.719 . 0 0 "[ . 1 . 2]" 1
972 1 73 ALA MB 1 124 LEU QD 3.500 . 7.400 2.978 2.125 3.826 . 0 0 "[ . 1 . 2]" 1
973 1 74 SER HA 1 77 ALA MB 5.000 . 6.500 2.254 2.108 2.601 . 0 0 "[ . 1 . 2]" 1
974 1 77 ALA HA 1 80 VAL QG 3.500 . 5.900 2.697 1.932 3.036 . 0 0 "[ . 1 . 2]" 1
975 1 78 GLU HA 1 81 ILE MD 5.000 . 6.500 2.546 2.077 5.265 . 0 0 "[ . 1 . 2]" 1
976 1 78 GLU HA 1 81 ILE MG 5.000 . 6.500 4.337 4.035 4.627 . 0 0 "[ . 1 . 2]" 1
977 1 80 VAL HA 1 91 ILE MD 5.000 . 6.500 2.803 2.096 5.404 . 0 0 "[ . 1 . 2]" 1
978 1 80 VAL QG 1 125 MET ME 2.700 . 6.600 2.882 2.373 3.615 . 0 0 "[ . 1 . 2]" 1
979 1 81 ILE HA 1 81 ILE MG 3.500 . 5.000 2.323 2.199 2.386 . 0 0 "[ . 1 . 2]" 1
980 1 81 ILE HA 1 91 ILE MD 5.000 . 6.500 4.325 2.712 4.841 . 0 0 "[ . 1 . 2]" 1
981 1 81 ILE MD 1 129 ALA MB 2.700 . 5.700 3.596 1.979 3.908 . 0 0 "[ . 1 . 2]" 1
982 1 81 ILE MG 1 129 ALA MB 2.700 . 5.700 3.810 2.952 3.936 . 0 0 "[ . 1 . 2]" 1
983 1 85 VAL QG 1 132 ALA MB 3.500 . 7.400 3.704 3.315 4.493 . 0 0 "[ . 1 . 2]" 1
984 1 85 VAL QG 1 133 ALA HA 5.000 . 7.400 2.383 2.071 3.024 . 0 0 "[ . 1 . 2]" 1
985 1 85 VAL QG 1 137 ALA MB 3.500 . 7.400 4.416 3.872 4.506 . 0 0 "[ . 1 . 2]" 1
986 1 88 PRO HA 1 91 ILE MD 5.000 . 6.500 4.094 2.132 4.517 . 0 0 "[ . 1 . 2]" 1
987 1 89 ASP HA 1 92 ALA MB 3.500 . 5.000 3.071 2.842 3.242 . 0 0 "[ . 1 . 2]" 1
988 1 91 ILE MD 1 129 ALA MB 3.500 . 6.500 4.295 2.496 4.514 . 0 0 "[ . 1 . 2]" 1
989 1 91 ILE MG 1 129 ALA MB 3.500 . 6.500 4.180 3.377 4.517 . 0 0 "[ . 1 . 2]" 1
990 1 94 LYS HA 1 97 ALA MB 5.000 . 6.500 2.672 2.488 2.822 . 0 0 "[ . 1 . 2]" 1
991 1 95 THR HA 1 125 MET ME 3.500 . 5.000 3.776 2.720 4.154 . 0 0 "[ . 1 . 2]" 1
992 1 95 THR MG 1 125 MET ME 2.700 . 5.700 3.064 1.843 3.587 . 0 0 "[ . 1 . 2]" 1
993 1 98 LEU HA 1 98 LEU QD 3.500 . 5.200 1.936 1.930 1.949 . 0 0 "[ . 1 . 2]" 1
994 1 98 LEU QD 1 125 MET ME 2.700 . 6.600 2.835 2.103 3.348 . 0 0 "[ . 1 . 2]" 1
995 1 102 LEU QD 1 121 ILE MG 3.500 . 7.400 2.888 2.278 3.485 . 0 0 "[ . 1 . 2]" 1
996 1 103 LYS HA 1 118 ILE MD 3.500 . 5.000 2.846 2.148 3.467 . 0 0 "[ . 1 . 2]" 1
997 1 106 PHE HE1 1 118 ILE MD 3.500 . 5.000 3.627 2.885 4.148 . 0 0 "[ . 1 . 2]" 1
998 1 107 ARG HA 1 113 VAL QG 5.000 . 7.400 4.285 3.202 5.411 . 0 0 "[ . 1 . 2]" 1
999 1 107 ARG QD 1 113 VAL QG 5.000 . 8.400 3.483 1.934 5.420 . 0 0 "[ . 1 . 2]" 1
1000 1 110 MET HA 1 110 MET ME 5.000 . 6.500 3.882 2.067 4.481 . 0 0 "[ . 1 . 2]" 1
1001 1 110 MET ME 1 111 GLY QA 5.000 . 7.500 5.473 4.757 5.582 . 0 0 "[ . 1 . 2]" 1
1002 1 113 VAL QG 1 118 ILE MD 3.500 . 7.400 4.383 4.097 4.627 . 0 0 "[ . 1 . 2]" 1
1003 1 118 ILE HA 1 118 ILE MG 3.500 . 5.000 2.414 2.403 2.432 . 0 0 "[ . 1 . 2]" 1
1004 1 122 LYS HA 1 125 MET ME 2.700 . 4.200 2.543 2.010 3.251 . 0 0 "[ . 1 . 2]" 1
1005 1 124 LEU HA 1 127 MET ME 5.000 . 6.500 2.811 2.150 4.160 . 0 0 "[ . 1 . 2]" 1
1006 1 124 LEU QD 1 127 MET ME 2.700 . 6.600 2.369 1.925 3.452 . 0 0 "[ . 1 . 2]" 1
1007 1 126 THR HA 1 129 ALA MB 3.500 . 5.000 2.712 2.394 2.900 . 0 0 "[ . 1 . 2]" 1
1008 1 127 MET HA 1 127 MET ME 5.000 . 6.500 4.324 3.766 4.490 . 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 158
_Distance_constraint_stats_list.Viol_count 620
_Distance_constraint_stats_list.Viol_total 510.362
_Distance_constraint_stats_list.Viol_max 0.204
_Distance_constraint_stats_list.Viol_rms 0.0227
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0081
_Distance_constraint_stats_list.Viol_average_violations_only 0.0412
_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 14 LYS 0.206 0.072 20 0 "[ . 1 . 2]"
1 15 ALA 0.892 0.115 13 0 "[ . 1 . 2]"
1 16 ASN 0.278 0.049 2 0 "[ . 1 . 2]"
1 17 ALA 0.004 0.004 10 0 "[ . 1 . 2]"
1 18 PHE 0.458 0.121 13 0 "[ . 1 . 2]"
1 19 MET 1.047 0.115 13 0 "[ . 1 . 2]"
1 20 LYS 1.015 0.097 1 0 "[ . 1 . 2]"
1 21 CYS 0.038 0.033 1 0 "[ . 1 . 2]"
1 22 LEU 0.421 0.121 13 0 "[ . 1 . 2]"
1 23 ILE 0.237 0.059 1 0 "[ . 1 . 2]"
1 24 GLN 1.114 0.097 1 0 "[ . 1 . 2]"
1 25 LYS 0.033 0.033 1 0 "[ . 1 . 2]"
1 26 ILE 0.170 0.116 13 0 "[ . 1 . 2]"
1 27 SER 0.083 0.049 11 0 "[ . 1 . 2]"
1 28 VAL 0.377 0.092 3 0 "[ . 1 . 2]"
1 36 GLU 0.298 0.075 5 0 "[ . 1 . 2]"
1 37 LYS 0.081 0.052 11 0 "[ . 1 . 2]"
1 38 GLU 0.579 0.119 3 0 "[ . 1 . 2]"
1 39 ASP 0.011 0.011 15 0 "[ . 1 . 2]"
1 40 MET 0.325 0.075 5 0 "[ . 1 . 2]"
1 41 GLU 0.102 0.052 11 0 "[ . 1 . 2]"
1 42 SER 0.579 0.119 3 0 "[ . 1 . 2]"
1 43 ILE 0.766 0.105 9 0 "[ . 1 . 2]"
1 44 VAL 0.148 0.072 10 0 "[ . 1 . 2]"
1 45 GLU 0.021 0.021 15 0 "[ . 1 . 2]"
1 46 THR 0.089 0.033 14 0 "[ . 1 . 2]"
1 47 MET 0.798 0.105 9 0 "[ . 1 . 2]"
1 48 MET 0.172 0.072 10 0 "[ . 1 . 2]"
1 49 SER 0.085 0.048 11 0 "[ . 1 . 2]"
1 50 ALA 0.111 0.033 14 0 "[ . 1 . 2]"
1 51 ILE 0.042 0.028 8 0 "[ . 1 . 2]"
1 52 SER 0.050 0.028 13 0 "[ . 1 . 2]"
1 53 GLY 0.085 0.048 11 0 "[ . 1 . 2]"
1 54 VAL 0.023 0.019 13 0 "[ . 1 . 2]"
1 62 GLU 0.028 0.013 14 0 "[ . 1 . 2]"
1 63 ALA 0.524 0.066 19 0 "[ . 1 . 2]"
1 64 THR 0.297 0.104 8 0 "[ . 1 . 2]"
1 65 LEU 0.088 0.077 16 0 "[ . 1 . 2]"
1 66 GLN 0.514 0.116 8 0 "[ . 1 . 2]"
1 67 ALA 0.617 0.066 19 0 "[ . 1 . 2]"
1 68 MET 0.368 0.104 8 0 "[ . 1 . 2]"
1 69 ASN 1.437 0.144 12 0 "[ . 1 . 2]"
1 70 MET 1.012 0.116 8 0 "[ . 1 . 2]"
1 71 ALA 0.225 0.068 12 0 "[ . 1 . 2]"
1 72 PHE 0.113 0.046 5 0 "[ . 1 . 2]"
1 73 ALA 1.799 0.144 12 0 "[ . 1 . 2]"
1 74 SER 0.525 0.073 2 0 "[ . 1 . 2]"
1 75 SER 2.853 0.204 13 0 "[ . 1 . 2]"
1 76 MET 0.043 0.026 14 0 "[ . 1 . 2]"
1 77 ALA 1.035 0.058 19 0 "[ . 1 . 2]"
1 78 GLU 0.750 0.199 15 0 "[ . 1 . 2]"
1 79 LEU 2.720 0.204 13 0 "[ . 1 . 2]"
1 80 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 ILE 0.585 0.046 17 0 "[ . 1 . 2]"
1 82 ALA 0.750 0.199 15 0 "[ . 1 . 2]"
1 89 ASP 1.759 0.200 15 0 "[ . 1 . 2]"
1 90 SER 0.781 0.093 13 0 "[ . 1 . 2]"
1 91 ILE 1.491 0.133 10 0 "[ . 1 . 2]"
1 92 ALA 0.816 0.113 17 0 "[ . 1 . 2]"
1 93 GLU 1.799 0.200 15 0 "[ . 1 . 2]"
1 94 LYS 1.718 0.123 3 0 "[ . 1 . 2]"
1 95 THR 1.495 0.133 10 0 "[ . 1 . 2]"
1 96 GLU 0.907 0.113 17 0 "[ . 1 . 2]"
1 97 ALA 0.040 0.040 15 0 "[ . 1 . 2]"
1 98 LEU 1.806 0.123 3 0 "[ . 1 . 2]"
1 99 SER 0.156 0.068 12 0 "[ . 1 . 2]"
1 100 GLN 0.123 0.034 14 0 "[ . 1 . 2]"
1 101 ALA 0.455 0.095 12 0 "[ . 1 . 2]"
1 102 LEU 1.164 0.082 19 0 "[ . 1 . 2]"
1 103 LYS 0.217 0.068 12 0 "[ . 1 . 2]"
1 104 GLN 0.095 0.038 16 0 "[ . 1 . 2]"
1 105 CYS 0.455 0.095 12 0 "[ . 1 . 2]"
1 106 PHE 0.295 0.053 11 0 "[ . 1 . 2]"
1 107 ARG 0.064 0.060 5 0 "[ . 1 . 2]"
1 108 SER 0.063 0.038 16 0 "[ . 1 . 2]"
1 115 ARG 1.242 0.099 20 0 "[ . 1 . 2]"
1 116 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 PHE 0.045 0.014 17 0 "[ . 1 . 2]"
1 118 ILE 0.106 0.039 10 0 "[ . 1 . 2]"
1 119 THR 1.511 0.099 20 0 "[ . 1 . 2]"
1 120 GLU 0.242 0.085 12 0 "[ . 1 . 2]"
1 121 ILE 0.193 0.054 11 0 "[ . 1 . 2]"
1 122 LYS 0.152 0.039 10 0 "[ . 1 . 2]"
1 123 HIS 0.507 0.043 10 0 "[ . 1 . 2]"
1 124 LEU 0.368 0.085 12 0 "[ . 1 . 2]"
1 125 MET 0.150 0.054 11 0 "[ . 1 . 2]"
1 126 THR 0.216 0.028 1 0 "[ . 1 . 2]"
1 127 MET 0.237 0.043 10 0 "[ . 1 . 2]"
1 128 PHE 0.267 0.056 7 0 "[ . 1 . 2]"
1 129 ALA 0.427 0.047 13 0 "[ . 1 . 2]"
1 130 ALA 0.170 0.028 1 0 "[ . 1 . 2]"
1 131 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 132 ALA 0.519 0.056 7 0 "[ . 1 . 2]"
1 133 ALA 1.005 0.047 13 0 "[ . 1 . 2]"
1 134 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 135 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 136 ALA 0.378 0.037 5 0 "[ . 1 . 2]"
1 137 ALA 0.581 0.042 2 0 "[ . 1 . 2]"
1 138 ALA 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 14 LYS O 1 18 PHE H 2.200 . 2.200 1.822 1.728 2.025 0.072 20 0 "[ . 1 . 2]" 2
2 1 14 LYS O 1 18 PHE N 3.300 2.200 3.300 2.787 2.722 2.979 . 0 0 "[ . 1 . 2]" 2
3 1 15 ALA O 1 19 MET H 2.200 . 2.200 1.768 1.685 1.903 0.115 13 0 "[ . 1 . 2]" 2
4 1 15 ALA O 1 19 MET N 3.300 2.200 3.300 2.753 2.647 2.892 . 0 0 "[ . 1 . 2]" 2
5 1 16 ASN O 1 20 LYS H 2.200 . 2.200 1.807 1.751 1.906 0.049 2 0 "[ . 1 . 2]" 2
6 1 16 ASN O 1 20 LYS N 3.300 2.200 3.300 2.768 2.696 2.879 . 0 0 "[ . 1 . 2]" 2
7 1 17 ALA O 1 21 CYS H 2.200 . 2.200 1.917 1.796 2.116 0.004 10 0 "[ . 1 . 2]" 2
8 1 17 ALA O 1 21 CYS N 3.300 2.200 3.300 2.850 2.706 3.080 . 0 0 "[ . 1 . 2]" 2
9 1 18 PHE O 1 22 LEU H 2.200 . 2.200 2.160 2.036 2.321 0.121 13 0 "[ . 1 . 2]" 2
10 1 18 PHE O 1 22 LEU N 3.300 2.200 3.300 3.120 3.008 3.243 . 0 0 "[ . 1 . 2]" 2
11 1 19 MET O 1 23 ILE H 2.200 . 2.200 1.878 1.741 2.220 0.059 1 0 "[ . 1 . 2]" 2
12 1 19 MET O 1 23 ILE N 3.300 2.200 3.300 2.844 2.721 3.145 . 0 0 "[ . 1 . 2]" 2
13 1 20 LYS O 1 24 GLN H 2.200 . 2.200 1.779 1.703 1.996 0.097 1 0 "[ . 1 . 2]" 2
14 1 20 LYS O 1 24 GLN N 3.300 2.200 3.300 2.752 2.679 2.975 . 0 0 "[ . 1 . 2]" 2
15 1 21 CYS O 1 25 LYS H 2.200 . 2.200 1.984 1.821 2.233 0.033 1 0 "[ . 1 . 2]" 2
16 1 21 CYS O 1 25 LYS N 3.300 2.200 3.300 2.917 2.769 3.178 . 0 0 "[ . 1 . 2]" 2
17 1 22 LEU O 1 26 ILE H 2.200 . 2.200 2.063 1.924 2.316 0.116 13 0 "[ . 1 . 2]" 2
18 1 22 LEU O 1 26 ILE N 3.300 2.200 3.300 3.019 2.867 3.284 . 0 0 "[ . 1 . 2]" 2
19 1 23 ILE O 1 27 SER H 2.200 . 2.200 1.921 1.751 2.208 0.049 11 0 "[ . 1 . 2]" 2
20 1 23 ILE O 1 27 SER N 3.300 2.200 3.300 2.855 2.697 3.139 . 0 0 "[ . 1 . 2]" 2
21 1 24 GLN O 1 28 VAL H 2.200 . 2.200 1.936 1.708 2.275 0.092 3 0 "[ . 1 . 2]" 2
22 1 24 GLN O 1 28 VAL N 3.300 2.200 3.300 2.781 2.657 2.965 . 0 0 "[ . 1 . 2]" 2
23 1 36 GLU O 1 40 MET H 2.200 . 2.200 1.815 1.725 1.948 0.075 5 0 "[ . 1 . 2]" 2
24 1 36 GLU O 1 40 MET N 3.300 2.200 3.300 2.742 2.680 2.865 . 0 0 "[ . 1 . 2]" 2
25 1 37 LYS O 1 41 GLU H 2.200 . 2.200 2.051 1.832 2.252 0.052 11 0 "[ . 1 . 2]" 2
26 1 37 LYS O 1 41 GLU N 3.300 2.200 3.300 2.975 2.749 3.159 . 0 0 "[ . 1 . 2]" 2
27 1 38 GLU O 1 42 SER H 2.200 . 2.200 2.211 2.106 2.319 0.119 3 0 "[ . 1 . 2]" 2
28 1 38 GLU O 1 42 SER N 3.300 2.200 3.300 3.150 3.046 3.258 . 0 0 "[ . 1 . 2]" 2
29 1 39 ASP O 1 43 ILE H 2.200 . 2.200 1.899 1.789 2.156 0.011 15 0 "[ . 1 . 2]" 2
30 1 39 ASP O 1 43 ILE N 3.300 2.200 3.300 2.842 2.729 3.109 . 0 0 "[ . 1 . 2]" 2
31 1 40 MET O 1 44 VAL H 2.200 . 2.200 1.891 1.778 2.025 0.022 13 0 "[ . 1 . 2]" 2
32 1 40 MET O 1 44 VAL N 3.300 2.200 3.300 2.849 2.756 3.012 . 0 0 "[ . 1 . 2]" 2
33 1 41 GLU O 1 45 GLU H 2.200 . 2.200 2.065 1.831 2.221 0.021 15 0 "[ . 1 . 2]" 2
34 1 41 GLU O 1 45 GLU N 3.300 2.200 3.300 3.041 2.803 3.195 . 0 0 "[ . 1 . 2]" 2
35 1 42 SER O 1 46 THR H 2.200 . 2.200 1.962 1.846 2.094 . 0 0 "[ . 1 . 2]" 2
36 1 42 SER O 1 46 THR N 3.300 2.200 3.300 2.903 2.785 3.051 . 0 0 "[ . 1 . 2]" 2
37 1 43 ILE O 1 47 MET H 2.200 . 2.200 1.768 1.695 1.868 0.105 9 0 "[ . 1 . 2]" 2
38 1 43 ILE O 1 47 MET N 3.300 2.200 3.300 2.733 2.657 2.852 . 0 0 "[ . 1 . 2]" 2
39 1 44 VAL O 1 48 MET H 2.200 . 2.200 1.893 1.728 2.119 0.072 10 0 "[ . 1 . 2]" 2
40 1 44 VAL O 1 48 MET N 3.300 2.200 3.300 2.858 2.665 3.079 . 0 0 "[ . 1 . 2]" 2
41 1 45 GLU O 1 49 SER H 2.200 . 2.200 1.911 1.808 2.001 . 0 0 "[ . 1 . 2]" 2
42 1 45 GLU O 1 49 SER N 3.300 2.200 3.300 2.811 2.690 2.933 . 0 0 "[ . 1 . 2]" 2
43 1 46 THR O 1 50 ALA H 2.200 . 2.200 1.859 1.767 2.200 0.033 14 0 "[ . 1 . 2]" 2
44 1 46 THR O 1 50 ALA N 3.300 2.200 3.300 2.783 2.690 3.122 . 0 0 "[ . 1 . 2]" 2
45 1 47 MET O 1 51 ILE H 2.200 . 2.200 2.068 1.925 2.228 0.028 8 0 "[ . 1 . 2]" 2
46 1 47 MET O 1 51 ILE N 3.300 2.200 3.300 2.989 2.877 3.146 . 0 0 "[ . 1 . 2]" 2
47 1 48 MET O 1 52 SER H 2.200 . 2.200 2.032 1.782 2.228 0.028 13 0 "[ . 1 . 2]" 2
48 1 48 MET O 1 52 SER N 3.300 2.200 3.300 3.000 2.731 3.185 . 0 0 "[ . 1 . 2]" 2
49 1 49 SER O 1 53 GLY H 2.200 . 2.200 1.850 1.752 2.034 0.048 11 0 "[ . 1 . 2]" 2
50 1 49 SER O 1 53 GLY N 3.300 2.200 3.300 2.777 2.689 2.940 . 0 0 "[ . 1 . 2]" 2
51 1 50 ALA O 1 54 VAL H 2.200 . 2.200 1.914 1.781 2.188 0.019 13 0 "[ . 1 . 2]" 2
52 1 50 ALA O 1 54 VAL N 3.300 2.200 3.300 2.872 2.755 3.121 . 0 0 "[ . 1 . 2]" 2
53 1 62 GLU O 1 66 GLN H 2.200 . 2.200 1.881 1.787 2.002 0.013 14 0 "[ . 1 . 2]" 2
54 1 62 GLU O 1 66 GLN N 3.300 2.200 3.300 2.849 2.750 2.969 . 0 0 "[ . 1 . 2]" 2
55 1 63 ALA O 1 67 ALA H 2.200 . 2.200 1.826 1.734 2.235 0.066 19 0 "[ . 1 . 2]" 2
56 1 63 ALA O 1 67 ALA N 3.300 2.200 3.300 2.777 2.682 3.209 . 0 0 "[ . 1 . 2]" 2
57 1 64 THR O 1 68 MET H 2.200 . 2.200 1.915 1.696 2.254 0.104 8 0 "[ . 1 . 2]" 2
58 1 64 THR O 1 68 MET N 3.300 2.200 3.300 2.869 2.602 3.175 . 0 0 "[ . 1 . 2]" 2
59 1 65 LEU O 1 69 ASN H 2.200 . 2.200 1.999 1.789 2.277 0.077 16 0 "[ . 1 . 2]" 2
60 1 65 LEU O 1 69 ASN N 3.300 2.200 3.300 2.944 2.722 3.189 . 0 0 "[ . 1 . 2]" 2
61 1 66 GLN O 1 70 MET H 2.200 . 2.200 1.911 1.721 2.316 0.116 8 0 "[ . 1 . 2]" 2
62 1 66 GLN O 1 70 MET N 3.300 2.200 3.300 2.882 2.706 3.276 . 0 0 "[ . 1 . 2]" 2
63 1 67 ALA O 1 71 ALA H 2.200 . 2.200 1.846 1.765 2.001 0.035 3 0 "[ . 1 . 2]" 2
64 1 67 ALA O 1 71 ALA N 3.300 2.200 3.300 2.715 2.653 2.825 . 0 0 "[ . 1 . 2]" 2
65 1 68 MET O 1 72 PHE H 2.200 . 2.200 1.941 1.754 2.186 0.046 5 0 "[ . 1 . 2]" 2
66 1 68 MET O 1 72 PHE N 3.300 2.200 3.300 2.860 2.681 3.152 . 0 0 "[ . 1 . 2]" 2
67 1 69 ASN O 1 73 ALA H 2.200 . 2.200 2.246 1.918 2.344 0.144 12 0 "[ . 1 . 2]" 2
68 1 69 ASN O 1 73 ALA N 3.300 2.200 3.300 3.229 2.912 3.328 0.028 5 0 "[ . 1 . 2]" 2
69 1 70 MET O 1 74 SER H 2.200 . 2.200 1.779 1.727 1.862 0.073 2 0 "[ . 1 . 2]" 2
70 1 70 MET O 1 74 SER N 3.300 2.200 3.300 2.718 2.668 2.797 . 0 0 "[ . 1 . 2]" 2
71 1 71 ALA O 1 75 SER H 2.200 . 2.200 1.920 1.732 2.214 0.068 12 0 "[ . 1 . 2]" 2
72 1 71 ALA O 1 75 SER N 3.300 2.200 3.300 2.872 2.702 3.151 . 0 0 "[ . 1 . 2]" 2
73 1 72 PHE O 1 76 MET H 2.200 . 2.200 2.051 1.861 2.226 0.026 14 0 "[ . 1 . 2]" 2
74 1 72 PHE O 1 76 MET N 3.300 2.200 3.300 3.039 2.843 3.212 . 0 0 "[ . 1 . 2]" 2
75 1 73 ALA O 1 77 ALA H 2.200 . 2.200 1.780 1.742 1.828 0.058 19 0 "[ . 1 . 2]" 2
76 1 73 ALA O 1 77 ALA N 3.300 2.200 3.300 2.685 2.638 2.757 . 0 0 "[ . 1 . 2]" 2
77 1 74 SER O 1 78 GLU H 2.200 . 2.200 1.944 1.839 2.061 . 0 0 "[ . 1 . 2]" 2
78 1 74 SER O 1 78 GLU N 3.300 2.200 3.300 2.848 2.764 2.929 . 0 0 "[ . 1 . 2]" 2
79 1 75 SER O 1 79 LEU H 2.200 . 2.200 2.328 2.210 2.404 0.204 13 0 "[ . 1 . 2]" 2
80 1 75 SER O 1 79 LEU N 3.300 2.200 3.300 3.283 3.159 3.358 0.058 13 0 "[ . 1 . 2]" 2
81 1 76 MET O 1 80 VAL H 2.200 . 2.200 1.902 1.821 2.173 . 0 0 "[ . 1 . 2]" 2
82 1 76 MET O 1 80 VAL N 3.300 2.200 3.300 2.840 2.749 3.088 . 0 0 "[ . 1 . 2]" 2
83 1 77 ALA O 1 81 ILE H 2.200 . 2.200 1.773 1.754 1.847 0.046 17 0 "[ . 1 . 2]" 2
84 1 77 ALA O 1 81 ILE N 3.300 2.200 3.300 2.711 2.680 2.776 . 0 0 "[ . 1 . 2]" 2
85 1 78 GLU O 1 82 ALA H 2.200 . 2.200 2.193 1.871 2.399 0.199 15 0 "[ . 1 . 2]" 2
86 1 78 GLU O 1 82 ALA N 3.300 2.200 3.300 3.149 2.791 3.368 0.068 15 0 "[ . 1 . 2]" 2
87 1 89 ASP O 1 93 GLU H 2.200 . 2.200 2.283 2.197 2.400 0.200 15 0 "[ . 1 . 2]" 2
88 1 89 ASP O 1 93 GLU N 3.300 2.200 3.300 3.247 3.153 3.356 0.056 15 0 "[ . 1 . 2]" 2
89 1 90 SER O 1 94 LYS H 2.200 . 2.200 1.771 1.707 1.901 0.093 13 0 "[ . 1 . 2]" 2
90 1 90 SER O 1 94 LYS N 3.300 2.200 3.300 2.726 2.664 2.864 . 0 0 "[ . 1 . 2]" 2
91 1 91 ILE O 1 95 THR H 2.200 . 2.200 1.725 1.667 1.785 0.133 10 0 "[ . 1 . 2]" 2
92 1 91 ILE O 1 95 THR N 3.300 2.200 3.300 2.672 2.623 2.742 . 0 0 "[ . 1 . 2]" 2
93 1 92 ALA O 1 96 GLU H 2.200 . 2.200 2.210 1.982 2.313 0.113 17 0 "[ . 1 . 2]" 2
94 1 92 ALA O 1 96 GLU N 3.300 2.200 3.300 3.154 2.947 3.244 . 0 0 "[ . 1 . 2]" 2
95 1 93 GLU O 1 97 ALA H 2.200 . 2.200 2.072 1.899 2.240 0.040 15 0 "[ . 1 . 2]" 2
96 1 93 GLU O 1 97 ALA N 3.300 2.200 3.300 3.038 2.862 3.212 . 0 0 "[ . 1 . 2]" 2
97 1 94 LYS O 1 98 LEU H 2.200 . 2.200 1.758 1.677 1.882 0.123 3 0 "[ . 1 . 2]" 2
98 1 94 LYS O 1 98 LEU N 3.300 2.200 3.300 2.723 2.645 2.832 . 0 0 "[ . 1 . 2]" 2
99 1 95 THR O 1 99 SER H 2.200 . 2.200 1.829 1.796 1.872 0.004 8 0 "[ . 1 . 2]" 2
100 1 95 THR O 1 99 SER N 3.300 2.200 3.300 2.750 2.725 2.791 . 0 0 "[ . 1 . 2]" 2
101 1 96 GLU O 1 100 GLN H 2.200 . 2.200 2.145 2.037 2.234 0.034 14 0 "[ . 1 . 2]" 2
102 1 96 GLU O 1 100 GLN N 3.300 2.200 3.300 3.103 2.976 3.193 . 0 0 "[ . 1 . 2]" 2
103 1 97 ALA O 1 101 ALA H 2.200 . 2.200 1.905 1.840 2.068 . 0 0 "[ . 1 . 2]" 2
104 1 97 ALA O 1 101 ALA N 3.300 2.200 3.300 2.834 2.772 3.010 . 0 0 "[ . 1 . 2]" 2
105 1 98 LEU O 1 102 LEU H 2.200 . 2.200 1.757 1.718 1.807 0.082 19 0 "[ . 1 . 2]" 2
106 1 98 LEU O 1 102 LEU N 3.300 2.200 3.300 2.716 2.669 2.763 . 0 0 "[ . 1 . 2]" 2
107 1 99 SER O 1 103 LYS H 2.200 . 2.200 2.128 1.902 2.268 0.068 12 0 "[ . 1 . 2]" 2
108 1 99 SER O 1 103 LYS N 3.300 2.200 3.300 3.088 2.854 3.252 . 0 0 "[ . 1 . 2]" 2
109 1 100 GLN O 1 104 GLN H 2.200 . 2.200 1.950 1.768 2.175 0.032 10 0 "[ . 1 . 2]" 2
110 1 100 GLN O 1 104 GLN N 3.300 2.200 3.300 2.930 2.748 3.159 . 0 0 "[ . 1 . 2]" 2
111 1 101 ALA O 1 105 CYS H 2.200 . 2.200 1.793 1.705 1.901 0.095 12 0 "[ . 1 . 2]" 2
112 1 101 ALA O 1 105 CYS N 3.300 2.200 3.300 2.749 2.666 2.868 . 0 0 "[ . 1 . 2]" 2
113 1 102 LEU O 1 106 PHE H 2.200 . 2.200 1.813 1.747 1.960 0.053 11 0 "[ . 1 . 2]" 2
114 1 102 LEU O 1 106 PHE N 3.300 2.200 3.300 2.789 2.714 2.917 . 0 0 "[ . 1 . 2]" 2
115 1 103 LYS O 1 107 ARG H 2.200 . 2.200 2.046 1.893 2.260 0.060 5 0 "[ . 1 . 2]" 2
116 1 103 LYS O 1 107 ARG N 3.300 2.200 3.300 2.996 2.844 3.231 . 0 0 "[ . 1 . 2]" 2
117 1 104 GLN O 1 108 SER H 2.200 . 2.200 2.090 1.868 2.238 0.038 16 0 "[ . 1 . 2]" 2
118 1 104 GLN O 1 108 SER N 3.300 2.200 3.300 2.919 2.759 3.053 . 0 0 "[ . 1 . 2]" 2
119 1 115 ARG O 1 119 THR H 2.200 . 2.200 1.738 1.701 1.772 0.099 20 0 "[ . 1 . 2]" 2
120 1 115 ARG O 1 119 THR N 3.300 2.200 3.300 2.702 2.665 2.731 . 0 0 "[ . 1 . 2]" 2
121 1 116 GLN O 1 120 GLU H 2.200 . 2.200 1.993 1.800 2.148 . 0 0 "[ . 1 . 2]" 2
122 1 116 GLN O 1 120 GLU N 3.300 2.200 3.300 2.959 2.762 3.124 . 0 0 "[ . 1 . 2]" 2
123 1 117 PHE O 1 121 ILE H 2.200 . 2.200 1.836 1.786 1.925 0.014 17 0 "[ . 1 . 2]" 2
124 1 117 PHE O 1 121 ILE N 3.300 2.200 3.300 2.807 2.762 2.875 . 0 0 "[ . 1 . 2]" 2
125 1 118 ILE O 1 122 LYS H 2.200 . 2.200 1.921 1.779 2.239 0.039 10 0 "[ . 1 . 2]" 2
126 1 118 ILE O 1 122 LYS N 3.300 2.200 3.300 2.905 2.752 3.224 . 0 0 "[ . 1 . 2]" 2
127 1 119 THR O 1 123 HIS H 2.200 . 2.200 1.797 1.767 1.867 0.033 20 0 "[ . 1 . 2]" 2
128 1 119 THR O 1 123 HIS N 3.300 2.200 3.300 2.761 2.720 2.824 . 0 0 "[ . 1 . 2]" 2
129 1 120 GLU O 1 124 LEU H 2.200 . 2.200 1.815 1.715 1.894 0.085 12 0 "[ . 1 . 2]" 2
130 1 120 GLU O 1 124 LEU N 3.300 2.200 3.300 2.798 2.705 2.885 . 0 0 "[ . 1 . 2]" 2
131 1 121 ILE O 1 125 MET H 2.200 . 2.200 1.849 1.746 2.023 0.054 11 0 "[ . 1 . 2]" 2
132 1 121 ILE O 1 125 MET N 3.300 2.200 3.300 2.804 2.696 2.996 . 0 0 "[ . 1 . 2]" 2
133 1 122 LYS O 1 126 THR H 2.200 . 2.200 1.883 1.779 2.062 0.021 1 0 "[ . 1 . 2]" 2
134 1 122 LYS O 1 126 THR N 3.300 2.200 3.300 2.850 2.755 3.032 . 0 0 "[ . 1 . 2]" 2
135 1 123 HIS O 1 127 MET H 2.200 . 2.200 1.831 1.757 2.012 0.043 10 0 "[ . 1 . 2]" 2
136 1 123 HIS O 1 127 MET N 3.300 2.200 3.300 2.791 2.717 2.991 . 0 0 "[ . 1 . 2]" 2
137 1 124 LEU O 1 128 PHE H 2.200 . 2.200 1.819 1.774 1.895 0.026 12 0 "[ . 1 . 2]" 2
138 1 124 LEU O 1 128 PHE N 3.300 2.200 3.300 2.790 2.743 2.878 . 0 0 "[ . 1 . 2]" 2
139 1 125 MET O 1 129 ALA H 2.200 . 2.200 1.942 1.802 2.202 0.002 2 0 "[ . 1 . 2]" 2
140 1 125 MET O 1 129 ALA N 3.300 2.200 3.300 2.897 2.697 3.178 . 0 0 "[ . 1 . 2]" 2
141 1 126 THR O 1 130 ALA H 2.200 . 2.200 1.812 1.772 2.003 0.028 1 0 "[ . 1 . 2]" 2
142 1 126 THR O 1 130 ALA N 3.300 2.200 3.300 2.752 2.710 2.937 . 0 0 "[ . 1 . 2]" 2
143 1 127 MET O 1 131 GLU H 2.200 . 2.200 2.050 1.946 2.183 . 0 0 "[ . 1 . 2]" 2
144 1 127 MET O 1 131 GLU N 3.300 2.200 3.300 3.007 2.901 3.140 . 0 0 "[ . 1 . 2]" 2
145 1 128 PHE O 1 132 ALA H 2.200 . 2.200 1.872 1.744 2.035 0.056 7 0 "[ . 1 . 2]" 2
146 1 128 PHE O 1 132 ALA N 3.300 2.200 3.300 2.831 2.701 2.984 . 0 0 "[ . 1 . 2]" 2
147 1 129 ALA O 1 133 ALA H 2.200 . 2.200 1.781 1.753 1.820 0.047 13 0 "[ . 1 . 2]" 2
148 1 129 ALA O 1 133 ALA N 3.300 2.200 3.300 2.728 2.705 2.768 . 0 0 "[ . 1 . 2]" 2
149 1 130 ALA O 1 134 GLN H 2.200 . 2.200 1.980 1.908 2.095 . 0 0 "[ . 1 . 2]" 2
150 1 130 ALA O 1 134 GLN N 3.300 2.200 3.300 2.914 2.840 3.028 . 0 0 "[ . 1 . 2]" 2
151 1 131 GLU O 1 135 GLU H 2.200 . 2.200 1.998 1.899 2.051 . 0 0 "[ . 1 . 2]" 2
152 1 131 GLU O 1 135 GLU N 3.300 2.200 3.300 2.944 2.845 2.998 . 0 0 "[ . 1 . 2]" 2
153 1 132 ALA O 1 136 ALA H 2.200 . 2.200 1.783 1.763 1.843 0.037 5 0 "[ . 1 . 2]" 2
154 1 132 ALA O 1 136 ALA N 3.300 2.200 3.300 2.725 2.706 2.790 . 0 0 "[ . 1 . 2]" 2
155 1 133 ALA O 1 137 ALA H 2.200 . 2.200 1.771 1.758 1.791 0.042 2 0 "[ . 1 . 2]" 2
156 1 133 ALA O 1 137 ALA N 3.300 2.200 3.300 2.734 2.712 2.752 . 0 0 "[ . 1 . 2]" 2
157 1 134 GLN O 1 138 ALA H 2.200 . 2.200 1.906 1.878 2.031 . 0 0 "[ . 1 . 2]" 2
158 1 134 GLN O 1 138 ALA N 3.300 2.200 3.300 2.842 2.786 2.938 . 0 0 "[ . 1 . 2]" 2
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