NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
516306 |
1e8l   |
1093 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1e8l
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 1425
_Distance_constraint_stats_list.Viol_count 6202
_Distance_constraint_stats_list.Viol_total 29595.160
_Distance_constraint_stats_list.Viol_max 0.436
_Distance_constraint_stats_list.Viol_rms 0.0395
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0083
_Distance_constraint_stats_list.Viol_average_violations_only 0.0954
_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 1 LYS 0.204 0.199 28 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 2 VAL 1.866 0.114 22 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 3 PHE 13.381 0.240 19 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 4 GLY 6.302 0.104 44 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 5 ARG 9.774 0.211 3 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 6 CYS 14.159 0.235 10 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 7 GLU 2.333 0.064 36 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 8 LEU 2.464 0.222 33 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 9 ALA 24.992 0.235 10 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 10 ALA 0.115 0.033 17 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 11 ALA 24.938 0.436 49 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 12 MET 49.897 0.436 49 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 13 LYS 1.851 0.067 21 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 14 ARG 3.168 0.130 45 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 15 HIS 3.316 0.130 45 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 16 GLY 3.726 0.117 40 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 17 LEU 45.135 0.334 43 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 18 ASP 17.415 0.302 49 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 19 ASN 8.717 0.221 6 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 20 TYR 14.226 0.240 45 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 21 ARG 6.277 0.142 31 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 22 GLY 8.299 0.221 6 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 23 TYR 19.690 0.353 50 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 24 SER 3.651 0.123 38 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 25 LEU 14.256 0.298 3 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 26 GLY 0.516 0.037 6 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 27 ASN 3.661 0.271 43 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 28 TRP 30.691 0.414 2 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 29 VAL 6.169 0.155 30 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 30 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 31 ALA 14.571 0.276 23 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 32 ALA 0.106 0.040 42 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 33 LYS 2.229 0.063 12 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 34 PHE 31.273 0.405 25 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 35 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 36 SER 17.237 0.223 40 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 37 ASN 0.123 0.027 7 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 38 PHE 3.550 0.104 44 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 39 ASN 1.457 0.114 22 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 40 THR 25.942 0.368 42 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 41 GLN 13.140 0.368 42 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 42 ALA 2.441 0.137 50 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 43 THR 5.017 0.137 21 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 44 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 45 ARG 0.779 0.112 17 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 46 ASN 2.807 0.085 21 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 47 THR 2.522 0.085 21 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 48 ASP 1.591 0.041 37 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 50 SER 1.467 0.039 17 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 51 THR 11.007 0.326 35 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 52 ASP 21.023 0.326 35 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 53 TYR 5.966 0.354 13 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 54 GLY 9.093 0.308 31 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 55 ILE 9.158 0.222 33 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 56 LEU 8.034 0.265 48 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 57 GLN 0.192 0.027 39 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 58 ILE 10.895 0.279 45 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 59 ASN 4.623 0.090 7 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 60 SER 14.738 0.354 13 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 61 ARG 2.119 0.067 39 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 62 TRP 3.687 0.148 40 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 63 TRP 22.190 0.322 11 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 64 CYS 10.302 0.250 18 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 65 ASN 1.438 0.090 15 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 66 ASP 0.273 0.021 13 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 67 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 68 ARG 0.437 0.195 38 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 69 THR 0.759 0.322 22 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 70 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 71 GLY 0.437 0.322 22 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 72 SER 1.309 0.067 39 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 73 ARG 0.592 0.049 42 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 74 ASN 16.716 0.250 18 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 75 LEU 23.153 0.322 11 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 76 CYS 12.615 0.317 43 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 77 ASN 0.010 0.008 38 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 78 ILE 13.260 0.317 43 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 79 PRO 1.561 0.090 15 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 80 CYS 0.007 0.007 10 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 81 SER 2.228 0.089 41 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 82 ALA 0.093 0.054 13 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 83 LEU 0.358 0.105 45 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 84 LEU 4.975 0.127 45 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 85 SER 13.151 0.254 34 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 86 SER 24.154 0.254 34 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 87 ASP 16.783 0.186 15 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 88 ILE 5.082 0.240 19 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 89 THR 0.789 0.068 13 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 90 ALA 16.167 0.298 36 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 91 SER 6.730 0.156 16 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 92 VAL 25.274 0.334 43 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 93 ASN 38.498 0.340 11 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 94 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 95 ALA 17.425 0.197 13 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 96 LYS 0.597 0.242 49 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 97 LYS 2.411 0.083 3 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 98 ILE 2.034 0.104 44 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 99 VAL 7.046 0.217 45 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 100 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 101 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 102 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 103 ASN 0.133 0.054 5 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 104 GLY 1.055 0.065 45 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 105 MET 9.632 0.243 32 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 106 ASN 9.148 0.243 32 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 107 ALA 1.502 0.057 48 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 108 TRP 7.643 0.146 17 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 109 VAL 33.438 0.409 50 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 110 ALA 11.518 0.196 50 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 111 TRP 9.679 0.276 23 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 112 ARG 3.017 0.324 30 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 113 ASN 10.923 0.233 32 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 114 ARG 5.561 0.233 32 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 115 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 116 LYS 0.775 0.095 32 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 117 GLY 0.054 0.010 13 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 118 THR 0.157 0.017 19 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 119 ASP 28.583 0.421 7 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 120 VAL 9.957 0.158 15 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 121 GLN 0.105 0.035 49 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 122 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 123 TRP 7.415 0.158 15 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 124 ILE 1.855 0.178 42 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 125 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 126 GLY 0.171 0.046 42 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 127 CYS 10.403 0.166 45 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 128 ARG 1.049 0.063 21 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 129 LEU 0.359 0.118 29 0 "[ . 1 . 2 . 3 . 4 . 5]"
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 1 LYS HA 1 2 VAL H 2.200 . 2.500 2.224 2.142 2.505 0.005 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
2 1 2 VAL HA 1 2 VAL HB 2.700 . 3.000 3.020 3.017 3.022 0.022 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
3 1 2 VAL HA 1 2 VAL MG2 2.200 . 4.000 2.266 2.157 2.353 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
4 1 2 VAL HA 1 2 VAL MG1 2.200 . 4.000 2.525 2.488 2.589 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
5 1 2 VAL HA 1 3 PHE H 2.200 . 2.500 2.237 2.174 2.325 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
6 1 2 VAL HA 1 40 THR H 4.200 . 4.500 2.536 2.402 2.727 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
7 1 2 VAL HA 1 39 ASN HA 2.200 . 2.500 2.128 2.000 2.264 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
8 1 2 VAL MG2 1 39 ASN HA 2.700 . 4.500 1.872 1.686 2.049 0.114 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
9 1 2 VAL MG1 1 39 ASN HA 4.200 . 6.000 2.825 2.681 2.952 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
10 1 2 VAL H 1 2 VAL HB 2.700 . 3.000 2.468 2.350 2.564 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
11 1 2 VAL H 1 2 VAL MG2 2.700 . 4.500 2.800 2.635 2.893 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
12 1 2 VAL H 1 2 VAL MG1 4.200 . 6.000 3.775 3.724 3.815 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
13 1 2 VAL MG2 1 3 PHE H 4.200 . 6.000 3.868 3.696 4.060 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
14 1 2 VAL MG1 1 3 PHE H 2.700 . 4.500 2.199 1.926 2.658 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
15 1 2 VAL MG2 1 38 PHE H 4.200 . 6.000 4.848 4.799 4.907 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
16 1 2 VAL MG1 1 38 PHE H 2.700 . 4.500 3.812 3.791 3.829 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
17 1 2 VAL MG2 1 40 THR H 4.200 . 6.000 3.367 3.172 3.557 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
18 1 2 VAL H 1 40 THR H 5.200 . 5.500 4.909 4.782 5.046 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
19 1 2 VAL MG1 1 40 THR H 5.200 . 7.000 4.151 4.015 4.332 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
20 1 3 PHE HA 1 3 PHE HB3 2.700 . 3.000 2.556 2.465 2.672 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
21 1 3 PHE H 1 3 PHE HB2 2.700 . 3.000 2.342 2.157 2.500 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
22 1 3 PHE H 1 3 PHE HB3 4.200 . 4.500 3.556 3.458 3.622 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
23 1 3 PHE HB3 1 3 PHE QD 2.700 . 5.400 2.604 2.341 2.755 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
24 1 3 PHE QD 1 8 LEU H 4.200 . 6.900 4.448 3.825 5.001 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
25 1 3 PHE H 1 3 PHE QD 4.200 . 6.900 2.951 2.045 3.346 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
26 1 3 PHE QD 1 4 GLY H 4.200 . 6.900 3.511 2.702 4.089 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
27 1 3 PHE QD 1 40 THR H 4.200 . 6.900 4.463 3.481 5.089 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
28 1 3 PHE H 1 39 ASN HA 4.200 . 4.500 3.621 3.351 3.874 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
29 1 3 PHE HB3 1 8 LEU H 4.200 . 4.500 3.362 3.164 3.730 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
30 1 3 PHE QD 1 7 GLU QB 2.700 . 6.400 3.925 3.289 4.623 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
31 1 3 PHE QD 1 8 LEU QD 4.200 . 9.300 2.536 1.632 3.407 0.168 21 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
32 1 3 PHE HZ 1 8 LEU QD 4.200 . 6.900 4.506 4.356 4.750 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
33 1 3 PHE HB2 1 8 LEU QD 4.200 . 6.900 3.397 3.071 3.695 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
34 1 3 PHE QD 1 88 ILE MG 4.200 . 8.400 3.067 2.871 3.201 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
35 1 3 PHE QE 1 88 ILE MG 2.700 . 6.900 1.944 1.560 2.455 0.240 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
36 1 3 PHE HZ 1 88 ILE MG 2.200 . 4.000 2.973 2.748 3.166 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
37 1 3 PHE QE 1 55 ILE HB 2.700 . 5.400 4.174 3.444 5.175 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
38 1 3 PHE QD 1 55 ILE HB 2.700 . 5.400 4.076 3.214 5.019 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
39 1 3 PHE QE 1 39 ASN HA 7.200 . 9.900 6.423 6.043 6.740 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
40 1 3 PHE H 1 40 THR H 5.200 . 5.500 3.612 3.476 3.766 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
41 1 3 PHE HB2 1 38 PHE QB 2.700 . 4.000 2.157 1.753 2.698 0.047 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
42 1 3 PHE HB2 1 88 ILE MD 5.200 . 7.000 5.701 5.638 5.749 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
43 1 3 PHE H 1 4 GLY QA 5.200 . 6.500 5.135 5.061 5.220 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
44 1 3 PHE QE 1 40 THR H 5.200 . 7.900 4.951 4.472 5.336 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
45 1 3 PHE QE 1 88 ILE MD 5.200 . 9.400 3.389 2.612 4.098 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
46 1 3 PHE QD 1 88 ILE MD 5.200 . 9.400 4.011 3.407 4.505 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
47 1 4 GLY QA 1 5 ARG H 4.200 . 5.500 2.222 2.184 2.265 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
48 1 4 GLY H 1 7 GLU QB 2.700 . 4.000 2.326 2.092 2.573 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
49 1 5 ARG H 1 5 ARG HA 2.700 . 3.000 2.871 2.765 2.915 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
50 1 6 CYS HA 1 6 CYS HB3 2.700 . 3.000 2.309 2.270 2.490 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
51 1 6 CYS HA 1 9 ALA H 4.200 . 4.500 2.832 2.778 2.877 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
52 1 6 CYS HA 1 10 ALA H 4.200 . 4.500 3.545 3.440 3.679 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
53 1 6 CYS H 1 6 CYS HB2 2.700 . 3.000 2.778 2.410 2.883 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
54 1 6 CYS H 1 6 CYS HB3 4.200 . 4.500 3.622 3.594 3.642 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
55 1 6 CYS HB3 1 127 CYS HA 4.200 . 4.500 3.679 2.997 3.988 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
56 1 6 CYS HA 1 9 ALA MB 2.200 . 4.000 1.890 1.701 2.149 0.099 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
57 1 6 CYS HB3 1 7 GLU H 4.200 . 4.500 3.997 3.678 4.095 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
58 1 6 CYS H 1 7 GLU H 2.700 . 3.000 2.402 2.345 2.504 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
59 1 7 GLU H 1 7 GLU HA 2.700 . 3.000 2.745 2.733 2.755 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
60 1 7 GLU H 1 7 GLU QB 2.700 . 4.000 2.257 2.075 2.614 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
61 1 7 GLU HA 1 11 ALA H 4.200 . 4.500 4.523 4.423 4.564 0.064 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
62 1 7 GLU HA 1 10 ALA H 4.200 . 4.500 3.890 3.824 4.024 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
63 1 7 GLU HA 1 10 ALA MB 4.200 . 6.000 3.162 2.989 3.409 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
64 1 7 GLU QB 1 8 LEU H 4.200 . 5.500 2.359 2.226 2.486 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
65 1 7 GLU H 1 8 LEU H 2.700 . 3.000 2.892 2.830 2.951 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
66 1 8 LEU H 1 8 LEU HA 2.700 . 3.000 2.826 2.804 2.841 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
67 1 8 LEU H 1 8 LEU HB3 2.700 . 3.000 2.379 2.182 2.511 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
68 1 8 LEU H 1 8 LEU HB2 2.700 . 3.000 2.696 2.488 2.972 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
69 1 8 LEU HA 1 8 LEU QD 2.200 . 4.900 2.259 1.825 2.849 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
70 1 8 LEU H 1 8 LEU QD 4.200 . 6.900 3.679 3.598 3.786 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
71 1 8 LEU HA 1 11 ALA H 4.200 . 4.500 3.514 3.385 3.670 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
72 1 8 LEU HA 1 9 ALA H 4.200 . 4.500 3.572 3.558 3.593 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
73 1 8 LEU H 1 9 ALA H 2.700 . 3.000 2.630 2.592 2.697 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
74 1 8 LEU H 1 10 ALA H 4.200 . 4.500 4.473 4.418 4.516 0.016 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
75 1 8 LEU HA 1 11 ALA MB 2.700 . 4.500 2.617 2.348 2.860 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
76 1 8 LEU QB 1 9 ALA H 4.200 . 5.500 2.704 2.507 2.877 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
77 1 8 LEU QD 1 12 MET H 4.200 . 6.900 3.685 3.215 4.354 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
78 1 8 LEU QD 1 9 ALA H 4.200 . 6.900 3.361 2.828 3.876 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
79 1 8 LEU QD 1 12 MET ME 2.200 . 4.900 3.001 2.905 3.075 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
80 1 8 LEU QD 1 88 ILE MD 4.200 . 8.400 1.877 1.716 1.994 0.084 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
81 1 8 LEU QD 1 88 ILE MG 4.200 . 8.400 2.193 1.832 2.539 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
82 1 8 LEU QD 1 38 PHE QE 2.200 . 7.300 2.219 1.849 2.698 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
83 1 9 ALA H 1 9 ALA HA 2.700 . 3.000 2.806 2.781 2.820 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
84 1 9 ALA H 1 9 ALA MB 2.200 . 4.000 2.159 2.036 2.255 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
85 1 9 ALA HA 1 9 ALA MB 2.200 . 4.000 2.099 2.071 2.119 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
86 1 9 ALA HA 1 12 MET H 4.200 . 4.500 3.153 3.122 3.356 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
87 1 9 ALA HA 1 10 ALA H 4.200 . 4.500 3.577 3.570 3.583 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
88 1 9 ALA H 1 10 ALA H 2.700 . 3.000 2.854 2.818 2.912 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
89 1 9 ALA H 1 11 ALA H 4.200 . 4.500 4.037 3.931 4.168 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
90 1 9 ALA H 1 129 LEU QD 4.200 . 6.900 4.298 3.669 4.871 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
91 1 9 ALA MB 1 124 ILE MG 2.200 . 5.500 2.564 2.204 2.795 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
92 1 10 ALA H 1 10 ALA HA 2.700 . 3.000 2.753 2.743 2.762 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
93 1 10 ALA H 1 10 ALA MB 2.200 . 4.000 2.124 2.034 2.236 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
94 1 10 ALA HA 1 10 ALA MB 2.200 . 4.000 2.111 2.090 2.135 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
95 1 10 ALA HA 1 12 MET H 4.200 . 4.500 4.251 4.120 4.391 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
96 1 10 ALA HA 1 11 ALA H 4.200 . 4.500 3.526 3.517 3.554 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
97 1 10 ALA H 1 11 ALA H 2.700 . 3.000 2.742 2.710 2.805 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
98 1 10 ALA H 1 12 MET H 4.200 . 4.500 4.064 4.027 4.099 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
99 1 10 ALA H 1 129 LEU QD 2.700 . 5.400 2.992 2.051 3.595 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
100 1 10 ALA HA 1 129 LEU QD 2.200 . 4.900 2.727 1.767 3.497 0.033 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
101 1 11 ALA H 1 11 ALA HA 2.700 . 3.000 2.814 2.798 2.823 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
102 1 11 ALA H 1 11 ALA MB 2.200 . 4.000 2.204 2.051 2.252 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
103 1 11 ALA HA 1 11 ALA MB 2.200 . 4.000 2.117 2.087 2.127 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
104 1 11 ALA HA 1 12 MET H 2.700 . 3.000 3.426 3.413 3.436 0.436 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
105 1 11 ALA H 1 12 MET H 2.700 . 3.000 2.512 2.480 2.548 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
106 1 11 ALA H 1 13 LYS H 4.200 . 4.500 4.279 4.146 4.367 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
107 1 11 ALA MB 1 12 MET H 2.200 . 4.000 2.601 2.530 2.697 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
108 1 11 ALA MB 1 13 LYS H 4.200 . 6.000 4.700 4.612 4.746 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
109 1 11 ALA HA 1 14 ARG H 4.200 . 4.500 3.537 3.417 3.696 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
110 1 11 ALA MB 1 88 ILE MD 2.200 . 5.500 1.829 1.687 1.950 0.113 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
111 1 11 ALA H 1 88 ILE MD 5.200 . 7.000 4.242 3.975 4.372 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
112 1 12 MET H 1 12 MET HA 2.700 . 3.000 2.812 2.790 2.840 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
113 1 12 MET HA 1 13 LYS H 4.200 . 4.500 3.552 3.547 3.556 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
114 1 12 MET H 1 13 LYS H 2.700 . 3.000 2.758 2.649 2.842 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
115 1 12 MET HA 1 15 HIS HB2 4.200 . 4.500 2.318 1.962 2.576 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
116 1 12 MET H 1 88 ILE MD 4.200 . 6.000 3.726 3.160 3.929 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
117 1 12 MET HA 1 88 ILE MD 2.700 . 4.500 3.649 3.031 3.827 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
118 1 12 MET ME 1 88 ILE MD 4.200 . 6.000 3.872 3.426 4.146 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
119 1 12 MET ME 1 17 LEU QD 2.700 . 5.400 1.743 1.588 1.840 0.212 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
120 1 12 MET HA 1 17 LEU QD 4.200 . 6.900 3.234 2.987 3.374 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
121 1 12 MET HA 1 17 LEU HG 4.200 . 4.500 2.476 2.201 2.702 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
122 1 12 MET H 1 17 LEU QD 5.200 . 7.900 5.173 4.809 5.333 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
123 1 12 MET H 1 14 ARG H 5.200 . 5.500 4.186 4.013 4.330 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
124 1 13 LYS H 1 13 LYS HA 2.700 . 3.000 2.762 2.748 2.782 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
125 1 13 LYS H 1 13 LYS QB 2.700 . 4.000 2.148 2.048 2.237 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
126 1 13 LYS H 1 14 ARG H 2.700 . 3.000 2.815 2.687 2.922 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
127 1 13 LYS HA 1 14 ARG H 4.200 . 4.500 3.541 3.506 3.556 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
128 1 13 LYS H 1 129 LEU QD 4.200 . 6.900 3.926 3.109 4.873 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
129 1 13 LYS QB 1 14 ARG H 2.700 . 4.000 2.433 2.271 2.629 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
130 1 13 LYS H 1 25 LEU QD 2.700 . 5.400 2.645 2.185 3.313 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
131 1 13 LYS H 1 88 ILE MD 5.200 . 7.000 5.752 5.214 5.900 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
132 1 14 ARG H 1 14 ARG QB 2.700 . 4.000 2.169 2.043 2.490 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
133 1 14 ARG H 1 15 HIS H 2.700 . 3.000 2.624 2.493 2.669 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
134 1 15 HIS H 1 15 HIS HB2 2.700 . 3.000 2.190 2.137 2.309 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
135 1 15 HIS H 1 15 HIS HB3 4.200 . 4.500 3.484 3.450 3.543 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
136 1 15 HIS HA 1 15 HIS HB2 2.700 . 3.000 2.985 2.967 3.013 0.013 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
137 1 15 HIS H 1 16 GLY H 4.200 . 4.500 2.687 2.643 2.715 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
138 1 15 HIS HB2 1 92 VAL MG1 2.700 . 4.500 3.446 3.401 3.554 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
139 1 15 HIS HB2 1 92 VAL MG2 4.200 . 6.000 3.816 3.452 4.194 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
140 1 15 HIS HE1 1 88 ILE QG 4.200 . 5.500 2.211 1.769 3.131 0.031 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
141 1 15 HIS HE1 1 88 ILE MD 2.700 . 4.500 2.563 2.073 3.233 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
142 1 15 HIS HE1 1 92 VAL MG2 4.200 . 6.000 3.563 3.151 3.913 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
143 1 15 HIS HE1 1 92 VAL MG1 4.200 . 6.000 4.915 4.444 4.964 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
144 1 16 GLY H 1 17 LEU QD 7.200 . 9.900 3.391 3.177 3.527 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
145 1 16 GLY H 1 17 LEU H 4.200 . 4.500 2.702 2.628 2.789 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
146 1 17 LEU H 1 17 LEU HA 2.700 . 3.000 2.896 2.864 2.914 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
147 1 17 LEU H 1 17 LEU HB3 4.200 . 4.500 3.671 3.642 3.691 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
148 1 17 LEU H 1 17 LEU HB2 4.200 . 4.500 2.777 2.721 2.824 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
149 1 17 LEU H 1 17 LEU HG 2.200 . 2.500 2.599 2.539 2.646 0.146 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
150 1 17 LEU QD 1 28 TRP HZ2 4.200 . 6.900 3.859 3.456 4.840 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
151 1 17 LEU QD 1 28 TRP HE3 4.200 . 6.900 2.925 2.759 3.081 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
152 1 17 LEU QD 1 28 TRP HH2 4.200 . 6.900 3.795 3.348 4.793 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
153 1 17 LEU QD 1 18 ASP H 4.200 . 6.900 3.812 3.731 3.881 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
154 1 17 LEU QD 1 28 TRP HE1 4.200 . 6.900 4.123 3.799 4.772 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
155 1 17 LEU HA 1 18 ASP H 2.700 . 3.000 3.235 3.138 3.302 0.302 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
156 1 17 LEU H 1 18 ASP H 2.700 . 3.000 2.357 2.324 2.413 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
157 1 17 LEU HG 1 18 ASP H 4.200 . 4.500 4.553 4.502 4.634 0.134 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
158 1 17 LEU QD 1 28 TRP HZ3 4.200 . 6.900 3.444 3.148 4.090 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
159 1 17 LEU QD 1 92 VAL MG1 2.700 . 6.900 1.557 1.466 1.702 0.334 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
160 1 17 LEU QD 1 92 VAL MG2 2.700 . 6.900 2.022 1.581 2.237 0.219 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
161 1 17 LEU QB 1 28 TRP HE3 4.200 . 5.500 4.123 3.891 4.335 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
162 1 17 LEU QD 1 28 TRP HD1 4.200 . 6.900 4.288 3.898 4.598 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
163 1 17 LEU QB 1 17 LEU HG 2.200 . 3.500 2.184 2.166 2.195 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
164 1 17 LEU QD 1 19 ASN H 7.200 . 9.900 5.620 5.463 5.706 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
165 1 17 LEU QD 1 20 TYR QD 4.200 . 9.300 3.963 3.462 4.226 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
166 1 17 LEU QD 1 20 TYR HB2 2.700 . 5.400 3.500 3.178 3.639 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
167 1 17 LEU QB 1 28 TRP HZ3 5.200 . 6.500 4.844 4.603 5.243 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
168 1 17 LEU QD 1 92 VAL HB 5.200 . 7.900 3.557 3.419 3.677 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
169 1 17 LEU QD 1 88 ILE MD 7.200 . 11.400 3.954 3.429 4.268 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
170 1 17 LEU QD 1 96 LYS H 5.200 . 7.900 4.188 3.737 4.816 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
171 1 17 LEU HA 1 28 TRP HE1 5.200 . 5.500 3.701 3.456 4.217 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
172 1 17 LEU QD 1 20 TYR QE 7.200 . 12.300 4.729 4.101 5.078 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
173 1 17 LEU QD 1 55 ILE MG 7.200 . 11.400 5.179 4.451 5.596 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
174 1 18 ASP H 1 18 ASP HB2 2.700 . 3.000 2.962 2.701 3.032 0.032 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
175 1 18 ASP H 1 18 ASP HB3 2.700 . 3.000 2.257 2.196 2.407 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
176 1 18 ASP HA 1 18 ASP HB2 2.700 . 3.000 2.317 2.279 2.417 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
177 1 18 ASP HA 1 19 ASN H 2.200 . 2.500 2.182 2.139 2.283 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
178 1 18 ASP H 1 25 LEU QD 4.200 . 6.900 3.688 2.409 4.653 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
179 1 18 ASP H 1 25 LEU H 5.200 . 5.500 4.885 4.375 5.127 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
180 1 18 ASP HA 1 28 TRP HE1 5.200 . 5.500 4.256 4.022 4.796 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
181 1 19 ASN H 1 19 ASN HA 2.700 . 3.000 2.272 2.258 2.303 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
182 1 19 ASN H 1 20 TYR H 2.700 . 3.000 2.491 2.238 2.630 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
183 1 19 ASN H 1 24 SER H 7.200 . 7.500 3.876 3.769 4.135 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
184 1 19 ASN H 1 28 TRP HE1 5.200 . 5.500 3.326 2.950 3.631 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
185 1 20 TYR H 1 20 TYR HB2 2.700 . 3.000 2.540 2.462 2.662 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
186 1 20 TYR H 1 20 TYR HB3 2.700 . 3.000 2.605 2.507 2.717 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
187 1 20 TYR HA 1 20 TYR HB2 2.200 . 2.500 2.521 2.486 2.559 0.059 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
188 1 20 TYR HB2 1 20 TYR QD 2.700 . 5.400 2.535 2.418 2.596 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
189 1 20 TYR HB3 1 20 TYR QD 2.700 . 5.400 2.307 2.281 2.378 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
190 1 20 TYR HA 1 20 TYR QD 4.200 . 6.900 2.605 2.474 2.864 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
191 1 20 TYR QD 1 21 ARG H 4.200 . 6.900 3.103 2.799 3.732 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
192 1 20 TYR H 1 28 TRP HE1 4.200 . 4.500 3.141 2.445 3.542 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
193 1 20 TYR HA 1 21 ARG H 2.200 . 2.500 2.416 2.137 2.578 0.078 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
194 1 20 TYR QE 1 96 LYS QB 4.200 . 7.900 4.076 2.729 4.961 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
195 1 20 TYR H 1 21 ARG H 5.200 . 5.500 4.580 4.465 4.633 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
196 1 20 TYR QE 1 21 ARG H 5.200 . 7.900 3.939 3.591 4.724 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
197 1 21 ARG H 1 21 ARG HA 2.200 . 2.500 2.517 2.275 2.642 0.142 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
198 1 21 ARG HA 1 22 GLY H 4.200 . 4.500 3.357 2.947 3.507 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
199 1 21 ARG H 1 22 GLY H 2.700 . 3.000 2.885 2.438 3.082 0.082 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
200 1 21 ARG H 1 22 GLY QA 5.200 . 6.500 4.735 4.365 4.887 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
201 1 21 ARG HA 1 23 TYR H 7.200 . 7.500 5.858 4.538 6.435 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
202 1 21 ARG H 1 23 TYR H 7.200 . 7.500 5.504 4.057 6.106 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
203 1 23 TYR H 1 23 TYR HB2 4.200 . 4.500 2.543 2.383 2.662 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
204 1 23 TYR H 1 23 TYR HB3 4.200 . 4.500 3.705 3.573 3.795 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
205 1 23 TYR HA 1 23 TYR HB3 2.700 . 3.000 2.586 2.526 2.672 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
206 1 23 TYR HA 1 23 TYR QD 4.200 . 6.900 2.888 2.294 3.117 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
207 1 23 TYR QE 1 111 TRP HH2 4.200 . 6.900 4.555 4.108 5.195 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
208 1 23 TYR HB2 1 23 TYR QD 2.700 . 5.400 2.466 2.286 2.582 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
209 1 23 TYR HB3 1 23 TYR QD 2.700 . 5.400 2.394 2.292 2.639 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
210 1 23 TYR HB3 1 28 TRP HE1 4.200 . 4.500 4.047 2.431 4.580 0.080 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
211 1 23 TYR QD 1 24 SER H 4.200 . 6.900 3.211 2.974 3.391 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
212 1 23 TYR QD 1 111 TRP HZ2 4.200 . 6.900 4.721 4.121 5.140 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
213 1 23 TYR QD 1 105 MET QB 4.200 . 7.900 4.318 3.950 4.546 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
214 1 23 TYR QE 1 111 TRP HZ2 2.700 . 5.400 4.194 3.607 4.639 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
215 1 23 TYR QE 1 105 MET QB 4.200 . 7.900 4.285 3.868 4.676 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
216 1 23 TYR QD 1 28 TRP HE1 4.200 . 6.900 5.184 4.362 5.593 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
217 1 23 TYR H 1 28 TRP HZ2 2.700 . 3.000 3.109 3.009 3.353 0.353 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
218 1 23 TYR QE 1 111 TRP HE1 5.200 . 7.900 5.906 5.186 6.396 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
219 1 23 TYR QE 1 99 VAL QG 2.700 . 7.800 3.816 3.052 4.195 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
220 1 23 TYR H 1 28 TRP HE1 5.200 . 5.500 3.328 3.033 3.831 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
221 1 23 TYR H 1 24 SER H 5.200 . 5.500 4.432 4.379 4.461 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
222 1 24 SER H 1 24 SER HA 2.700 . 3.000 2.865 2.821 2.888 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
223 1 25 LEU H 1 25 LEU HA 2.700 . 3.000 2.693 2.680 2.727 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
224 1 25 LEU H 1 25 LEU QB 2.700 . 4.000 2.139 2.072 2.632 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
225 1 25 LEU H 1 26 GLY H 4.200 . 4.500 3.119 2.998 3.164 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
226 1 25 LEU H 1 25 LEU HG 2.700 . 3.000 3.013 2.508 3.110 0.110 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
227 1 25 LEU H 1 25 LEU QD 4.200 . 6.900 3.158 1.638 3.437 0.162 21 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
228 1 25 LEU QB 1 25 LEU QD 2.700 . 6.400 1.838 1.752 1.982 0.048 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
229 1 25 LEU QB 1 26 GLY H 2.700 . 4.000 2.476 2.329 3.336 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
230 1 25 LEU HA 1 26 GLY H 4.200 . 4.500 3.581 3.574 3.597 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
231 1 25 LEU QD 1 28 TRP HD1 2.700 . 5.400 3.760 2.902 4.103 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
232 1 25 LEU H 1 28 TRP HE1 5.200 . 5.500 4.754 4.427 4.875 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
233 1 25 LEU HA 1 28 TRP HE1 5.200 . 5.500 4.224 3.432 4.401 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
234 1 26 GLY H 1 27 ASN H 2.700 . 3.000 3.005 2.937 3.037 0.037 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
235 1 26 GLY H 1 29 VAL QG 4.200 . 6.900 4.228 3.892 4.391 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
236 1 26 GLY H 1 120 VAL QG 4.200 . 6.900 3.885 3.615 4.492 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
237 1 26 GLY H 1 30 CYS H 7.200 . 7.500 6.062 5.900 6.281 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
238 1 26 GLY H 1 29 VAL H 5.200 . 5.500 4.850 4.653 4.930 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
239 1 26 GLY H 1 28 TRP H 5.200 . 5.500 4.338 4.159 4.390 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
240 1 27 ASN H 1 27 ASN HB2 2.700 . 3.000 2.575 2.341 2.720 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
241 1 27 ASN H 1 27 ASN HB3 4.200 . 4.500 3.599 3.572 3.615 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
242 1 27 ASN HA 1 27 ASN HB2 2.700 . 3.000 3.019 3.010 3.025 0.025 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
243 1 27 ASN HA 1 27 ASN HB3 2.700 . 3.000 2.432 2.362 2.561 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
244 1 27 ASN HB2 1 28 TRP H 2.700 . 3.000 2.787 2.702 2.948 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
245 1 27 ASN HA 1 30 CYS H 4.200 . 4.500 3.798 3.399 3.955 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
246 1 27 ASN H 1 28 TRP H 2.700 . 3.000 2.566 2.473 2.612 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
247 1 27 ASN HA 1 30 CYS HB2 4.200 . 4.500 3.831 3.241 4.361 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
248 1 27 ASN H 1 120 VAL QG 4.200 . 6.900 3.148 2.951 3.337 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
249 1 27 ASN HA 1 111 TRP HE1 2.700 . 3.000 2.516 2.061 3.009 0.009 21 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
250 1 27 ASN HA 1 123 TRP HE1 7.200 . 7.500 7.157 6.834 7.499 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
251 1 27 ASN HB3 1 111 TRP HE1 2.700 . 3.000 2.952 2.386 3.031 0.031 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
252 1 27 ASN H 1 28 TRP HE1 7.200 . 7.500 5.420 5.160 5.582 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
253 1 28 TRP H 1 28 TRP HA 2.700 . 3.000 2.854 2.840 2.870 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
254 1 28 TRP QB 1 29 VAL H 4.200 . 5.500 2.613 2.420 2.841 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
255 1 28 TRP H 1 29 VAL H 2.700 . 3.000 2.563 2.427 2.657 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
256 1 28 TRP HA 1 28 TRP HE3 2.700 . 3.000 2.894 2.790 3.050 0.050 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
257 1 28 TRP HZ3 1 56 LEU HG 2.700 . 3.000 3.161 3.103 3.265 0.265 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
258 1 28 TRP H 1 28 TRP HE1 4.200 . 4.500 4.519 4.399 4.581 0.081 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
259 1 28 TRP HE3 1 56 LEU QD 2.700 . 5.400 2.492 2.273 2.695 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
260 1 28 TRP HE3 1 32 ALA MB 4.200 . 6.000 4.571 4.294 4.880 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
261 1 28 TRP HH2 1 95 ALA MB 4.200 . 6.000 3.388 2.689 4.749 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
262 1 28 TRP HE3 1 95 ALA MB 4.200 . 6.000 4.143 3.773 4.535 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
263 1 28 TRP HZ3 1 95 ALA MB 2.700 . 4.500 2.402 1.815 3.268 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
264 1 28 TRP HZ3 1 108 TRP HE1 7.200 . 7.500 6.152 5.220 7.169 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
265 1 28 TRP HZ3 1 98 ILE MG 7.200 . 9.000 5.284 4.876 5.557 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
266 1 28 TRP HH2 1 99 VAL QG 2.700 . 5.400 2.132 1.583 2.612 0.217 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
267 1 28 TRP HH2 1 99 VAL HB 2.700 . 3.000 2.355 2.032 2.745 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
268 1 28 TRP HZ2 1 99 VAL QG 2.700 . 5.400 2.427 1.901 2.763 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
269 1 28 TRP HZ3 1 99 VAL H 5.200 . 5.500 5.104 4.599 5.531 0.031 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
270 1 28 TRP HE3 1 88 ILE MD 7.200 . 9.000 6.922 6.520 7.381 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
271 1 29 VAL H 1 29 VAL MG1 4.200 . 6.000 3.742 3.723 3.751 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
272 1 29 VAL H 1 29 VAL MG2 2.700 . 4.500 2.199 1.994 2.428 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
273 1 29 VAL HA 1 30 CYS H 4.200 . 4.500 3.545 3.530 3.559 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
274 1 29 VAL H 1 30 CYS H 2.700 . 3.000 2.656 2.566 2.759 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
275 1 29 VAL HB 1 30 CYS H 2.700 . 3.000 2.400 2.376 2.430 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
276 1 29 VAL QG 1 30 CYS H 2.700 . 5.400 3.089 2.985 3.150 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
277 1 30 CYS H 1 30 CYS HA 2.700 . 3.000 2.788 2.775 2.802 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
278 1 30 CYS H 1 30 CYS HB2 2.700 . 3.000 2.328 2.165 2.506 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
279 1 30 CYS H 1 30 CYS HB3 2.700 . 3.000 2.707 2.547 2.860 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
280 1 30 CYS HB2 1 31 ALA H 4.200 . 4.500 3.692 3.476 3.877 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
281 1 30 CYS HB3 1 31 ALA H 2.700 . 3.000 2.463 2.365 2.574 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
282 1 30 CYS H 1 120 VAL QG 2.700 . 5.400 3.444 3.196 3.688 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
283 1 30 CYS HB3 1 123 TRP HE1 5.200 . 5.500 4.679 4.437 5.158 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
284 1 31 ALA H 1 31 ALA HA 2.700 . 3.000 2.807 2.798 2.819 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
285 1 31 ALA HA 1 31 ALA MB 2.200 . 4.000 2.112 2.084 2.126 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
286 1 31 ALA HA 1 32 ALA H 4.200 . 4.500 3.553 3.546 3.557 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
287 1 31 ALA HA 1 34 PHE H 4.200 . 4.500 4.154 4.028 4.237 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
288 1 31 ALA H 1 32 ALA H 4.200 . 4.500 2.733 2.719 2.752 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
289 1 32 ALA H 1 32 ALA HA 2.700 . 3.000 2.832 2.826 2.836 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
290 1 32 ALA H 1 32 ALA MB 2.200 . 4.000 2.163 2.053 2.239 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
291 1 32 ALA HA 1 32 ALA MB 2.200 . 4.000 2.111 2.088 2.126 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
292 1 32 ALA HA 1 33 LYS H 4.200 . 4.500 3.559 3.545 3.568 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
293 1 32 ALA HA 1 35 GLU QB 2.700 . 4.000 2.109 1.995 2.329 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
294 1 32 ALA H 1 33 LYS H 4.200 . 4.500 2.684 2.634 2.746 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
295 1 32 ALA MB 1 33 LYS H 2.700 . 4.500 2.507 2.361 2.695 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
296 1 32 ALA MB 1 38 PHE QE 2.700 . 6.900 2.198 1.760 2.819 0.040 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
297 1 32 ALA MB 1 35 GLU H 4.200 . 6.000 4.435 4.341 4.562 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
298 1 32 ALA MB 1 38 PHE QD 2.200 . 6.400 2.718 2.166 3.178 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
299 1 32 ALA H 1 56 LEU QD 2.700 . 5.400 3.450 3.313 3.650 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
300 1 33 LYS H 1 33 LYS HA 2.700 . 3.000 2.725 2.702 2.763 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
301 1 33 LYS HA 1 34 PHE H 4.200 . 4.500 3.569 3.560 3.576 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
302 1 33 LYS H 1 34 PHE H 2.700 . 3.000 3.026 2.927 3.063 0.063 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
303 1 33 LYS HA 1 38 PHE QE 4.200 . 6.900 3.256 3.113 3.368 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
304 1 33 LYS H 1 38 PHE QE 4.200 . 6.900 3.011 2.544 3.393 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
305 1 33 LYS H 1 38 PHE QD 4.200 . 6.900 4.367 4.125 4.617 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
306 1 34 PHE H 1 34 PHE HB2 2.700 . 3.000 2.156 2.151 2.159 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
307 1 34 PHE H 1 34 PHE HB3 4.200 . 4.500 3.479 3.475 3.483 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
308 1 34 PHE HA 1 34 PHE HB2 2.200 . 2.500 2.903 2.901 2.905 0.405 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
309 1 34 PHE HA 1 34 PHE HB3 2.700 . 3.000 2.668 2.665 2.670 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
310 1 34 PHE H 1 35 GLU H 2.700 . 3.000 2.538 2.521 2.555 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
311 1 34 PHE HB2 1 34 PHE QD 2.700 . 5.400 2.298 2.265 2.350 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
312 1 34 PHE HB3 1 34 PHE QD 2.700 . 5.400 2.515 2.422 2.692 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
313 1 34 PHE HA 1 34 PHE QD 2.700 . 5.400 2.668 2.164 2.888 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
314 1 34 PHE QE 1 114 ARG QB 4.200 . 7.900 2.943 2.794 3.591 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
315 1 34 PHE QE 1 123 TRP HZ2 4.200 . 6.900 2.663 2.209 3.496 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
316 1 35 GLU H 1 35 GLU QB 2.200 . 3.500 2.001 1.968 2.052 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
317 1 35 GLU H 1 36 SER H 2.700 . 3.000 2.764 2.520 2.912 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
318 1 35 GLU QB 1 38 PHE QE 4.200 . 7.900 6.008 5.657 6.256 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
319 1 35 GLU H 1 38 PHE QE 4.200 . 6.900 6.169 5.848 6.382 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
320 1 36 SER H 1 36 SER HB3 4.200 . 4.500 3.261 3.167 3.333 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
321 1 36 SER H 1 36 SER HB2 4.200 . 4.500 3.750 3.673 3.812 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
322 1 36 SER HA 1 37 ASN H 4.200 . 4.500 3.195 3.109 3.302 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
323 1 36 SER HB3 1 39 ASN H 4.200 . 4.500 4.088 3.909 4.281 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
324 1 36 SER HB2 1 39 ASN H 4.200 . 4.500 2.561 2.367 2.763 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
325 1 36 SER H 1 37 ASN H 2.700 . 3.000 2.088 1.942 2.214 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
326 1 36 SER HB3 1 55 ILE HA 2.700 . 3.000 3.058 3.043 3.074 0.074 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
327 1 36 SER HB2 1 55 ILE HA 2.700 . 3.000 3.074 3.041 3.095 0.095 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
328 1 36 SER HA 1 42 ALA MB 4.200 . 6.000 3.383 2.668 4.957 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
329 1 37 ASN H 1 37 ASN HA 2.200 . 2.500 2.288 2.282 2.292 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
330 1 37 ASN HA 1 38 PHE H 4.200 . 4.500 2.888 2.858 2.916 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
331 1 37 ASN H 1 38 PHE H 4.200 . 4.500 2.523 2.468 2.558 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
332 1 37 ASN HA 1 39 ASN H 4.200 . 4.500 4.471 4.417 4.527 0.027 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
333 1 38 PHE H 1 38 PHE HA 2.200 . 2.500 2.218 2.206 2.225 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
334 1 38 PHE HA 1 38 PHE QB 2.200 . 3.500 2.395 2.318 2.441 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
335 1 39 ASN H 1 39 ASN HA 2.700 . 3.000 2.896 2.880 2.914 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
336 1 39 ASN H 1 39 ASN HB2 2.700 . 3.000 2.572 2.366 2.705 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
337 1 39 ASN H 1 39 ASN HB3 2.700 . 3.000 2.640 2.486 2.860 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
338 1 39 ASN HA 1 39 ASN HB2 2.700 . 3.000 2.542 2.459 2.656 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
339 1 39 ASN HA 1 41 GLN H 4.200 . 4.500 3.421 3.284 3.571 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
340 1 39 ASN HB3 1 42 ALA H 4.200 . 4.500 2.924 2.234 3.455 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
341 1 39 ASN HA 1 40 THR H 2.200 . 2.500 2.122 2.101 2.138 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
342 1 39 ASN HA 1 42 ALA H 5.200 . 5.500 4.145 4.075 4.258 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
343 1 39 ASN H 1 40 THR H 5.200 . 5.500 4.317 4.265 4.366 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
344 1 39 ASN HA 1 40 THR HA 5.200 . 5.500 4.389 4.359 4.412 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
345 1 40 THR HA 1 40 THR HB 2.200 . 2.500 2.291 2.286 2.295 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
346 1 40 THR HA 1 40 THR MG 2.200 . 4.000 2.648 2.592 2.694 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
347 1 40 THR H 1 41 GLN H 2.700 . 3.000 2.437 2.251 2.573 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
348 1 40 THR HA 1 55 ILE H 4.200 . 4.500 3.078 2.084 4.078 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
349 1 40 THR HA 1 42 ALA H 4.200 . 4.500 3.839 3.585 4.055 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
350 1 40 THR H 1 40 THR MG 2.200 . 4.000 1.743 1.528 2.051 0.272 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
351 1 40 THR HB 1 40 THR MG 2.200 . 4.000 2.100 2.083 2.131 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
352 1 40 THR H 1 42 ALA H 5.200 . 5.500 3.935 3.794 4.042 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
353 1 41 GLN H 1 42 ALA H 2.700 . 3.000 2.322 2.192 2.530 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
354 1 42 ALA H 1 42 ALA HA 2.700 . 3.000 2.828 2.788 2.918 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
355 1 42 ALA H 1 42 ALA MB 2.200 . 4.000 2.102 2.021 2.253 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
356 1 42 ALA HA 1 42 ALA MB 2.200 . 4.000 2.091 2.073 2.116 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
357 1 42 ALA HA 1 43 THR H 2.200 . 2.500 2.173 2.101 2.461 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
358 1 42 ALA MB 1 43 THR H 2.200 . 4.000 2.925 2.104 3.303 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
359 1 42 ALA MB 1 43 THR HA 4.200 . 6.000 3.990 3.867 4.035 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
360 1 43 THR HA 1 43 THR HB 2.200 . 2.500 2.326 2.299 2.396 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
361 1 43 THR HA 1 44 ASN H 2.200 . 2.500 2.247 2.201 2.338 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
362 1 43 THR HA 1 54 GLY H 4.200 . 4.500 3.465 2.822 3.722 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
363 1 43 THR HA 1 53 TYR HA 2.700 . 3.000 2.410 2.192 2.469 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
364 1 43 THR H 1 43 THR HB 4.200 . 4.500 3.848 3.812 3.903 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
365 1 43 THR H 1 43 THR MG 4.200 . 6.000 2.503 2.221 2.890 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
366 1 43 THR HB 1 43 THR MG 2.200 . 4.000 2.118 2.092 2.135 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
367 1 43 THR HA 1 51 THR MG 2.700 . 4.500 3.472 3.058 3.656 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
368 1 44 ASN H 1 44 ASN HA 2.700 . 3.000 2.941 2.919 2.949 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
369 1 44 ASN HA 1 44 ASN QB 2.200 . 3.500 2.484 2.353 2.539 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
370 1 44 ASN H 1 52 ASP HB2 4.200 . 4.500 2.664 2.313 3.258 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
371 1 44 ASN H 1 51 THR MG 2.700 . 4.500 2.309 1.803 2.678 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
372 1 44 ASN HA 1 45 ARG H 2.200 . 2.500 2.171 2.123 2.239 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
373 1 44 ASN H 1 45 ARG H 5.200 . 5.500 4.002 3.788 4.212 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
374 1 45 ARG H 1 45 ARG QB 2.700 . 4.000 2.426 2.054 2.787 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
375 1 45 ARG HA 1 46 ASN H 2.700 . 3.000 2.165 2.127 2.262 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
376 1 45 ARG HA 1 52 ASP H 4.200 . 4.500 3.694 3.404 3.825 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
377 1 45 ARG HA 1 51 THR HA 2.200 . 2.500 2.397 1.782 2.515 0.018 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
378 1 45 ARG HA 1 51 THR MG 2.700 . 4.500 1.979 1.688 2.442 0.112 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
379 1 46 ASN H 1 46 ASN HB2 2.700 . 3.000 2.773 2.635 2.829 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
380 1 46 ASN H 1 46 ASN HB3 4.200 . 4.500 3.717 3.633 3.759 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
381 1 46 ASN HA 1 47 THR H 2.200 . 2.500 2.540 2.520 2.585 0.085 21 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
382 1 46 ASN HB2 1 47 THR H 2.700 . 3.000 3.010 3.001 3.018 0.018 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
383 1 46 ASN HB3 1 47 THR H 2.700 . 3.000 2.293 2.116 2.365 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
384 1 46 ASN HB2 1 48 ASP H 2.700 . 3.000 2.593 2.347 2.999 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
385 1 46 ASN HB3 1 48 ASP H 2.700 . 3.000 3.000 2.890 3.012 0.012 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
386 1 46 ASN H 1 51 THR HA 4.200 . 4.500 2.817 2.365 3.115 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
387 1 46 ASN HA 1 48 ASP H 5.200 . 5.500 4.226 4.102 4.358 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
388 1 46 ASN H 1 48 ASP H 7.200 . 7.500 4.802 4.443 5.292 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
389 1 46 ASN H 1 49 GLY H 5.200 . 5.500 4.323 4.082 4.932 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
390 1 47 THR H 1 47 THR HA 2.700 . 3.000 2.899 2.881 2.945 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
391 1 47 THR HA 1 47 THR HB 2.200 . 2.500 2.486 2.434 2.506 0.006 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
392 1 47 THR HB 1 47 THR MG 2.200 . 4.000 2.113 2.091 2.134 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
393 1 47 THR H 1 48 ASP H 2.700 . 3.000 2.368 2.108 2.510 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
394 1 47 THR H 1 47 THR MG 2.700 . 4.500 2.549 2.265 2.823 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
395 1 47 THR H 1 49 GLY H 5.200 . 5.500 4.071 3.867 4.298 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
396 1 48 ASP H 1 48 ASP HB2 4.200 . 4.500 3.605 3.577 3.786 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
397 1 48 ASP H 1 48 ASP HB3 4.200 . 4.500 2.745 2.478 2.916 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
398 1 48 ASP HA 1 48 ASP HB2 2.200 . 2.500 2.499 2.367 2.539 0.039 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
399 1 48 ASP HA 1 48 ASP HB3 2.200 . 2.500 2.408 2.369 2.541 0.041 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
400 1 49 GLY H 1 50 SER H 4.200 . 4.500 2.624 2.086 2.916 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
401 1 50 SER HA 1 51 THR H 4.200 . 4.500 2.606 2.390 2.838 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
402 1 51 THR H 1 51 THR HB 4.200 . 4.500 3.052 2.816 3.149 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
403 1 51 THR HA 1 51 THR HB 2.700 . 3.000 3.004 2.983 3.025 0.025 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
404 1 51 THR HB 1 51 THR MG 2.200 . 4.000 2.109 2.088 2.133 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
405 1 51 THR HA 1 51 THR MG 2.200 . 4.000 2.267 2.066 2.524 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
406 1 51 THR HA 1 52 ASP H 2.200 . 2.500 2.422 2.304 2.508 0.008 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
407 1 51 THR MG 1 52 ASP H 2.200 . 4.000 1.625 1.474 1.968 0.326 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
408 1 51 THR MG 1 53 TYR QE 2.700 . 6.900 2.753 2.535 3.272 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
409 1 51 THR MG 1 53 TYR QD 4.200 . 8.400 3.402 3.139 3.800 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
410 1 51 THR H 1 51 THR MG 4.200 . 6.000 3.999 3.926 4.042 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
411 1 51 THR HB 1 52 ASP H 4.200 . 4.500 3.339 2.957 3.887 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
412 1 51 THR HB 1 53 TYR QE 2.700 . 5.400 2.404 1.890 2.630 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
413 1 51 THR H 1 53 TYR QE 5.200 . 7.900 4.296 2.961 4.750 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
414 1 51 THR MG 1 59 ASN HA 5.200 . 7.000 4.880 4.517 5.100 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
415 1 52 ASP H 1 52 ASP HB2 2.700 . 3.000 2.585 2.498 2.876 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
416 1 52 ASP H 1 52 ASP HB3 4.200 . 4.500 3.727 3.670 3.792 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
417 1 52 ASP HA 1 53 TYR H 2.200 . 2.500 2.228 2.154 2.279 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
418 1 52 ASP HA 1 59 ASN HA 2.700 . 3.000 3.040 3.007 3.090 0.090 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
419 1 52 ASP HA 1 53 TYR QE 4.200 . 6.900 5.702 5.033 5.882 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
420 1 52 ASP HA 1 57 GLN H 5.200 . 5.500 5.452 5.199 5.527 0.027 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
421 1 52 ASP HA 1 53 TYR QD 4.200 . 6.900 4.501 3.615 4.741 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
422 1 52 ASP H 1 53 TYR H 5.200 . 5.500 3.877 3.687 4.087 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
423 1 52 ASP HB3 1 59 ASN HA 5.200 . 5.500 5.454 5.147 5.502 0.002 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
424 1 53 TYR H 1 53 TYR HB2 2.700 . 3.000 2.536 2.337 2.610 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
425 1 53 TYR H 1 53 TYR HB3 4.200 . 4.500 3.667 3.580 3.698 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
426 1 53 TYR HA 1 53 TYR HB3 2.700 . 3.000 2.444 2.408 2.548 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
427 1 53 TYR HB2 1 53 TYR QD 2.700 . 5.400 2.313 2.278 2.481 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
428 1 53 TYR HB3 1 53 TYR QD 2.700 . 5.400 2.522 2.326 2.588 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
429 1 53 TYR HA 1 54 GLY H 2.700 . 3.000 2.376 2.186 2.461 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
430 1 53 TYR H 1 59 ASN HA 4.200 . 4.500 3.027 2.790 3.301 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
431 1 53 TYR H 1 57 GLN HA 4.200 . 4.500 3.796 3.574 3.984 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
432 1 53 TYR H 1 58 ILE H 4.200 . 4.500 3.237 3.004 3.411 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
433 1 53 TYR HA 1 53 TYR QD 4.200 . 6.900 2.652 2.514 3.095 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
434 1 53 TYR QD 1 60 SER H 4.200 . 6.900 1.891 1.446 2.338 0.354 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
435 1 53 TYR H 1 53 TYR QD 4.200 . 6.900 2.879 2.100 3.108 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
436 1 53 TYR QE 1 60 SER H 4.200 . 6.900 3.237 2.550 3.639 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
437 1 53 TYR QE 1 60 SER QB 2.700 . 6.400 3.081 2.749 3.390 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
438 1 53 TYR QE 1 66 ASP QB 4.200 . 7.900 4.830 3.988 5.322 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
439 1 53 TYR QD 1 59 ASN HA 5.200 . 7.900 3.400 2.441 4.016 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
440 1 53 TYR H 1 57 GLN H 7.200 . 7.500 5.638 5.397 5.845 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
441 1 53 TYR H 1 60 SER H 7.200 . 7.500 3.431 3.204 3.578 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
442 1 54 GLY QA 1 55 ILE H 4.200 . 5.500 2.233 2.191 2.275 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
443 1 54 GLY H 1 55 ILE H 5.200 . 5.500 4.369 4.305 4.477 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
444 1 55 ILE HA 1 55 ILE HB 2.200 . 2.500 2.527 2.514 2.583 0.083 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
445 1 55 ILE H 1 55 ILE HB 2.700 . 3.000 2.535 2.471 2.562 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
446 1 55 ILE H 1 55 ILE QG 4.200 . 5.500 3.982 3.970 3.992 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
447 1 55 ILE MG 1 56 LEU HA 2.700 . 4.500 3.484 3.388 3.596 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
448 1 55 ILE MG 1 56 LEU H 2.700 . 4.500 2.206 1.865 2.490 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
449 1 55 ILE H 1 55 ILE MG 2.700 . 4.500 2.215 2.037 2.446 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
450 1 55 ILE MG 1 56 LEU QD 4.200 . 8.400 2.266 1.793 2.559 0.007 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
451 1 55 ILE QG 1 56 LEU QD 2.700 . 6.400 3.245 3.004 3.547 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
452 1 55 ILE H 1 56 LEU H 5.200 . 5.500 2.386 2.292 2.453 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
453 1 55 ILE H 1 57 GLN H 5.200 . 5.500 3.601 3.518 3.706 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
454 1 55 ILE MG 1 88 ILE MD 5.200 . 8.500 3.947 3.732 4.092 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
455 1 56 LEU HA 1 57 GLN H 4.200 . 4.500 3.175 3.140 3.215 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
456 1 56 LEU H 1 57 GLN H 2.700 . 3.000 2.165 2.052 2.274 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
457 1 56 LEU QD 1 91 SER QB 2.700 . 6.400 3.864 2.751 4.047 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
458 1 56 LEU QB 1 56 LEU QD 2.700 . 6.400 1.993 1.916 2.063 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
459 1 56 LEU QD 1 108 TRP HE3 4.200 . 6.900 4.006 3.511 4.497 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
460 1 56 LEU QD 1 108 TRP HZ2 4.200 . 6.900 3.248 2.960 3.473 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
461 1 56 LEU QB 1 108 TRP HZ2 4.200 . 5.500 3.762 3.187 4.229 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
462 1 56 LEU QD 1 108 TRP HE1 4.200 . 6.900 2.809 2.124 3.760 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
463 1 56 LEU QB 1 108 TRP HE1 4.200 . 5.500 3.390 2.347 3.878 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
464 1 57 GLN H 1 57 GLN HA 2.200 . 2.500 2.251 2.246 2.259 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
465 1 57 GLN HA 1 58 ILE H 2.700 . 3.000 2.453 2.419 2.487 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
466 1 57 GLN H 1 58 ILE H 4.200 . 4.500 3.077 3.023 3.159 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
467 1 57 GLN H 1 58 ILE QG 4.200 . 5.500 3.966 3.657 5.015 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
468 1 57 GLN H 1 58 ILE MD 2.700 . 4.500 3.375 2.777 3.580 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
469 1 58 ILE H 1 58 ILE HB 4.200 . 4.500 2.639 2.344 2.812 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
470 1 58 ILE HA 1 59 ASN H 2.700 . 3.000 2.202 2.167 2.244 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
471 1 58 ILE MG 1 63 TRP HD1 4.200 . 6.000 3.291 2.691 3.744 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
472 1 58 ILE MG 1 59 ASN H 4.200 . 6.000 3.299 3.106 3.472 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
473 1 58 ILE MD 1 95 ALA H 4.200 . 6.000 3.841 2.842 4.867 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
474 1 58 ILE H 1 59 ASN HA 7.200 . 7.500 5.070 4.995 5.136 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
475 1 58 ILE H 1 60 SER H 5.200 . 5.500 5.718 5.650 5.779 0.279 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
476 1 59 ASN H 1 59 ASN HB2 2.700 . 3.000 2.525 2.355 2.697 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
477 1 59 ASN H 1 59 ASN HB3 2.700 . 3.000 2.511 2.359 2.654 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
478 1 59 ASN HA 1 59 ASN HB2 2.700 . 3.000 2.466 2.400 2.539 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
479 1 59 ASN HA 1 60 SER H 2.200 . 2.500 2.210 2.193 2.222 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
480 1 59 ASN HB2 1 60 SER H 4.200 . 4.500 4.516 4.457 4.569 0.069 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
481 1 59 ASN HB3 1 60 SER H 5.200 . 5.500 4.448 4.373 4.519 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
482 1 59 ASN HB3 1 63 TRP HD1 2.200 . 2.500 2.535 2.482 2.568 0.068 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
483 1 59 ASN HA 1 61 ARG H 5.200 . 5.500 3.326 3.248 3.502 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
484 1 59 ASN HA 1 63 TRP HE1 7.200 . 7.500 6.331 5.885 6.871 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
485 1 59 ASN H 1 60 SER H 5.200 . 5.500 4.269 4.216 4.325 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
486 1 60 SER H 1 60 SER HA 2.700 . 3.000 2.814 2.789 2.831 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
487 1 60 SER HA 1 60 SER QB 2.200 . 3.500 2.174 2.168 2.184 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
488 1 60 SER H 1 61 ARG H 4.200 . 4.500 2.687 2.617 2.810 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
489 1 60 SER HA 1 65 ASN HA 7.200 . 7.500 5.378 4.661 5.986 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
490 1 60 SER HA 1 64 CYS HA 5.200 . 5.500 4.918 4.484 5.432 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
491 1 60 SER H 1 62 TRP H 7.200 . 7.500 4.543 4.309 4.810 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
492 1 60 SER H 1 64 CYS H 7.200 . 7.500 5.891 4.663 7.547 0.047 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
493 1 61 ARG H 1 61 ARG HB2 2.700 . 3.000 2.500 2.315 2.705 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
494 1 61 ARG H 1 61 ARG HB3 2.700 . 3.000 2.755 2.526 2.864 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
495 1 61 ARG H 1 62 TRP H 2.700 . 3.000 2.580 2.248 2.873 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
496 1 61 ARG HA 1 72 SER HA 2.700 . 3.000 2.937 1.791 3.067 0.067 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
497 1 61 ARG H 1 63 TRP H 5.200 . 5.500 3.738 3.187 4.149 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
498 1 63 TRP HA 1 63 TRP HE3 2.700 . 3.000 2.045 1.791 2.291 0.009 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
499 1 63 TRP HE3 1 76 CYS H 4.200 . 4.500 2.122 1.740 2.556 0.060 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
500 1 63 TRP HZ3 1 75 LEU H 4.200 . 4.500 4.740 4.672 4.822 0.322 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
501 1 63 TRP HA 1 63 TRP HZ3 4.200 . 4.500 4.299 4.065 4.532 0.032 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
502 1 63 TRP QB 1 76 CYS HA 4.200 . 5.500 4.615 4.589 4.686 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
503 1 63 TRP HA 1 75 LEU H 2.700 . 3.000 3.034 2.865 3.094 0.094 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
504 1 63 TRP HA 1 76 CYS H 4.200 . 4.500 2.481 2.277 2.791 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
505 1 63 TRP HE3 1 75 LEU HB2 2.700 . 3.000 2.155 1.988 2.515 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
506 1 63 TRP HZ3 1 75 LEU HB3 4.200 . 4.500 1.836 1.711 2.285 0.089 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
507 1 63 TRP HZ3 1 75 LEU HB2 4.200 . 4.500 2.762 2.629 3.216 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
508 1 63 TRP HD1 1 98 ILE QG 4.200 . 5.500 4.587 3.908 4.972 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
509 1 63 TRP HE3 1 98 ILE QG 4.200 . 5.500 4.995 4.833 5.072 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
510 1 63 TRP HA 1 76 CYS QB 2.200 . 3.500 2.525 2.315 2.896 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
511 1 63 TRP HZ2 1 98 ILE MG 2.700 . 4.500 3.543 3.246 3.629 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
512 1 63 TRP HZ2 1 98 ILE QG 4.200 . 5.500 2.974 2.369 3.391 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
513 1 63 TRP HE1 1 98 ILE MG 5.200 . 7.000 3.926 3.296 4.288 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
514 1 63 TRP HE1 1 98 ILE QG 7.200 . 8.500 3.286 2.533 3.871 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
515 1 63 TRP HD1 1 98 ILE MD 4.200 . 6.000 3.387 2.887 3.668 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
516 1 63 TRP HE3 1 75 LEU QD 2.700 . 5.400 3.198 2.989 3.485 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
517 1 63 TRP HZ3 1 75 LEU QD 4.200 . 6.900 2.116 1.743 2.701 0.057 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
518 1 63 TRP HE3 1 75 LEU H 5.200 . 5.500 3.630 3.506 3.733 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
519 1 63 TRP H 1 75 LEU H 7.200 . 7.500 4.975 4.542 5.444 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
520 1 63 TRP HZ3 1 101 ASP QB 5.200 . 6.500 5.548 4.590 5.852 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
521 1 63 TRP HE3 1 98 ILE MG 7.200 . 9.000 6.844 6.606 7.070 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
522 1 63 TRP HH2 1 98 ILE MG 5.200 . 7.000 4.882 4.611 5.221 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
523 1 64 CYS H 1 64 CYS HA 2.700 . 3.000 2.667 2.253 2.927 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
524 1 64 CYS HA 1 78 ILE H 4.200 . 4.500 2.200 1.825 2.657 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
525 1 64 CYS QB 1 80 CYS H 4.200 . 5.500 3.018 2.551 3.229 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
526 1 64 CYS HA 1 78 ILE MG 2.700 . 4.500 3.247 2.469 3.443 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
527 1 64 CYS HA 1 65 ASN H 2.700 . 3.000 2.274 2.188 2.346 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
528 1 64 CYS HA 1 76 CYS H 5.200 . 5.500 4.593 4.026 5.427 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
529 1 64 CYS HA 1 77 ASN H 5.200 . 5.500 3.382 2.748 4.362 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
530 1 64 CYS HA 1 65 ASN HA 7.200 . 7.500 4.333 4.318 4.349 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
531 1 64 CYS HA 1 74 ASN HA 2.700 . 3.000 3.185 3.128 3.250 0.250 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
532 1 64 CYS HA 1 74 ASN QB 5.200 . 6.500 4.842 4.586 5.084 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
533 1 65 ASN H 1 65 ASN QB 2.700 . 4.000 2.357 2.251 2.412 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
534 1 65 ASN HA 1 66 ASP H 2.700 . 3.000 2.155 2.135 2.173 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
535 1 65 ASN HA 1 67 GLY H 4.200 . 4.500 3.423 3.285 3.634 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
536 1 65 ASN H 1 78 ILE MG 4.200 . 6.000 4.841 3.775 4.978 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
537 1 65 ASN QB 1 66 ASP H 5.200 . 6.500 3.909 3.823 3.958 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
538 1 65 ASN H 1 66 ASP H 5.200 . 5.500 4.263 4.191 4.319 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
539 1 65 ASN H 1 78 ILE H 5.200 . 5.500 3.484 3.208 4.137 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
540 1 66 ASP H 1 66 ASP HB3 4.200 . 4.500 2.758 2.664 3.019 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
541 1 66 ASP HA 1 66 ASP HB2 2.200 . 2.500 2.413 2.378 2.514 0.014 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
542 1 66 ASP HA 1 66 ASP HB3 2.200 . 2.500 2.492 2.384 2.521 0.021 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
543 1 66 ASP HA 1 67 GLY H 4.200 . 4.500 3.413 3.248 3.482 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
544 1 66 ASP H 1 67 GLY H 2.700 . 3.000 2.188 2.115 2.362 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
545 1 66 ASP H 1 67 GLY QA 5.200 . 6.500 4.142 4.083 4.301 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
546 1 66 ASP H 1 68 ARG H 7.200 . 7.500 3.952 2.819 4.239 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
547 1 66 ASP H 1 69 THR H 7.200 . 7.500 4.523 4.117 4.824 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
548 1 67 GLY H 1 68 ARG HA 5.200 . 5.500 5.291 4.562 5.412 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
549 1 68 ARG HA 1 69 THR H 4.200 . 4.500 3.252 2.671 3.341 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
550 1 69 THR H 1 69 THR HB 4.200 . 4.500 2.974 2.507 3.187 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
551 1 69 THR HB 1 69 THR MG 2.200 . 4.000 2.116 2.092 2.135 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
552 1 71 GLY QA 1 72 SER H 4.200 . 5.500 2.880 2.351 2.922 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
553 1 71 GLY H 1 72 SER H 2.700 . 3.000 2.149 1.788 2.924 0.012 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
554 1 72 SER H 1 72 SER QB 2.700 . 4.000 2.433 2.065 3.080 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
555 1 72 SER HA 1 73 ARG H 4.200 . 4.500 2.238 2.134 3.389 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
556 1 72 SER HA 1 74 ASN H 5.200 . 5.500 3.968 3.703 5.314 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
557 1 74 ASN H 1 74 ASN HA 2.200 . 2.500 2.286 2.274 2.295 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
558 1 74 ASN HA 1 75 LEU H 4.200 . 4.500 2.846 2.730 2.943 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
559 1 74 ASN HA 1 76 CYS H 4.200 . 4.500 3.791 3.275 4.586 0.086 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
560 1 74 ASN H 1 75 LEU H 4.200 . 4.500 2.532 2.465 2.692 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
561 1 74 ASN H 1 76 CYS H 7.200 . 7.500 4.641 4.320 5.363 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
562 1 75 LEU H 1 75 LEU HB2 2.700 . 3.000 2.028 1.966 2.073 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
563 1 75 LEU H 1 75 LEU HB3 4.200 . 4.500 3.375 3.312 3.410 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
564 1 75 LEU H 1 75 LEU HG 2.700 . 3.000 2.810 2.693 2.988 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
565 1 75 LEU HA 1 76 CYS H 4.200 . 4.500 3.427 3.404 3.454 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
566 1 75 LEU H 1 76 CYS H 4.200 . 4.500 2.665 2.405 3.096 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
567 1 75 LEU HB2 1 76 CYS H 4.200 . 4.500 2.322 2.030 2.713 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
568 1 75 LEU H 1 75 LEU QD 4.200 . 6.900 3.306 3.252 3.391 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
569 1 75 LEU HB3 1 76 CYS QB 2.700 . 4.000 3.787 3.714 3.863 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
570 1 75 LEU HG 1 76 CYS H 7.200 . 7.500 4.446 4.251 4.665 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
571 1 75 LEU QD 1 76 CYS H 5.200 . 7.900 3.767 3.458 4.064 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
572 1 76 CYS H 1 76 CYS QB 2.700 . 4.000 1.983 1.900 2.205 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
573 1 76 CYS H 1 77 ASN H 2.700 . 3.000 2.483 2.183 3.008 0.008 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
574 1 76 CYS H 1 78 ILE MG 4.200 . 6.000 4.110 3.822 4.959 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
575 1 76 CYS HA 1 76 CYS QB 2.200 . 3.500 2.489 2.369 2.518 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
576 1 76 CYS HA 1 77 ASN H 4.200 . 4.500 3.467 3.266 3.512 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
577 1 76 CYS QB 1 78 ILE MG 2.200 . 5.000 1.653 1.483 3.026 0.317 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
578 1 76 CYS H 1 77 ASN HA 5.200 . 5.500 4.750 4.368 5.291 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
579 1 76 CYS H 1 77 ASN QB 7.200 . 8.500 4.635 4.476 5.145 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
580 1 76 CYS H 1 78 ILE H 5.200 . 5.500 4.683 3.974 5.396 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
581 1 77 ASN HA 1 77 ASN QB 2.200 . 3.500 2.468 2.186 2.538 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
582 1 77 ASN QB 1 78 ILE H 4.200 . 5.500 3.944 3.871 4.010 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
583 1 77 ASN H 1 78 ILE H 4.200 . 4.500 2.859 2.622 3.113 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
584 1 77 ASN HA 1 78 ILE H 2.700 . 3.000 2.593 2.487 2.740 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
585 1 78 ILE HA 1 78 ILE HB 2.200 . 2.500 2.276 2.208 2.717 0.217 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
586 1 78 ILE HA 1 78 ILE MG 2.200 . 4.000 2.721 2.589 3.048 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
587 1 78 ILE H 1 78 ILE QG 2.700 . 4.000 3.057 2.670 3.977 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
588 1 78 ILE H 1 78 ILE MG 4.200 . 6.000 2.194 1.763 2.934 0.037 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
589 1 79 PRO HA 1 80 CYS H 2.200 . 2.500 2.193 2.166 2.235 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
590 1 80 CYS HA 1 83 LEU H 4.200 . 4.500 3.717 3.306 4.082 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
591 1 80 CYS H 1 81 SER H 4.200 . 4.500 2.937 2.842 2.981 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
592 1 81 SER H 1 81 SER HA 2.700 . 3.000 2.773 2.706 2.828 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
593 1 81 SER H 1 82 ALA H 2.700 . 3.000 2.796 2.669 3.054 0.054 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
594 1 81 SER HA 1 84 LEU H 5.200 . 5.500 3.357 3.097 3.814 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
595 1 81 SER H 1 83 LEU H 5.200 . 5.500 4.197 4.013 4.307 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
596 1 82 ALA H 1 82 ALA HA 2.700 . 3.000 2.867 2.829 2.915 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
597 1 82 ALA H 1 82 ALA MB 2.200 . 4.000 2.194 2.061 2.319 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
598 1 82 ALA HA 1 82 ALA MB 2.200 . 4.000 2.107 2.079 2.127 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
599 1 82 ALA H 1 83 LEU H 2.700 . 3.000 2.490 2.231 2.700 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
600 1 82 ALA MB 1 83 LEU H 4.200 . 6.000 3.124 2.890 3.250 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
601 1 82 ALA HA 1 84 LEU H 5.200 . 5.500 3.828 3.554 4.089 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
602 1 83 LEU H 1 83 LEU HA 2.700 . 3.000 2.934 2.900 2.949 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
603 1 83 LEU H 1 83 LEU QB 2.700 . 4.000 2.543 2.322 3.042 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
604 1 83 LEU HA 1 83 LEU QD 2.200 . 4.900 3.141 1.765 3.422 0.035 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
605 1 83 LEU HA 1 84 LEU H 4.200 . 4.500 3.324 3.252 3.393 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
606 1 83 LEU H 1 84 LEU H 2.700 . 3.000 2.156 2.000 2.455 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
607 1 83 LEU H 1 83 LEU HG 2.700 . 3.000 2.705 1.722 3.105 0.105 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
608 1 83 LEU H 1 83 LEU QD 4.200 . 6.900 3.088 2.446 3.507 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
609 1 84 LEU H 1 84 LEU QB 2.700 . 4.000 2.669 2.389 2.774 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
610 1 84 LEU HA 1 85 SER H 4.200 . 4.500 2.997 2.768 3.423 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
611 1 85 SER H 1 85 SER HA 2.700 . 3.000 2.894 2.796 2.943 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
612 1 85 SER H 1 85 SER QB 2.700 . 4.000 2.678 2.045 3.203 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
613 1 85 SER HA 1 86 SER H 2.200 . 2.500 2.706 2.602 2.754 0.254 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
614 1 86 SER H 1 86 SER HA 2.700 . 3.000 2.440 2.273 2.890 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
615 1 86 SER HA 1 86 SER QB 2.200 . 3.500 2.354 2.162 2.539 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
616 1 86 SER H 1 87 ASP H 2.700 . 3.000 2.468 2.272 2.956 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
617 1 87 ASP HA 1 87 ASP HB3 2.700 . 3.000 3.012 3.005 3.023 0.023 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
618 1 87 ASP HA 1 88 ILE H 2.200 . 2.500 2.184 2.151 2.209 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
619 1 87 ASP H 1 87 ASP HB2 4.200 . 4.500 2.889 2.738 3.213 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
620 1 87 ASP H 1 87 ASP HB3 4.200 . 4.500 2.633 2.479 2.716 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
621 1 88 ILE H 1 88 ILE MG 2.700 . 4.500 3.100 2.905 3.186 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
622 1 88 ILE H 1 88 ILE MD 4.200 . 6.000 3.499 3.430 3.592 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
623 1 88 ILE QG 1 89 THR H 4.200 . 5.500 2.901 2.750 3.697 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
624 1 88 ILE MG 1 89 THR H 4.200 . 6.000 4.400 4.331 4.422 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
625 1 88 ILE MD 1 89 THR H 4.200 . 6.000 4.301 4.119 4.859 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
626 1 88 ILE H 1 88 ILE QG 2.700 . 4.000 1.771 1.631 1.907 0.169 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
627 1 88 ILE MD 1 92 VAL MG2 2.200 . 5.500 2.613 2.372 2.867 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
628 1 88 ILE HB 1 88 ILE MD 2.700 . 4.500 2.162 2.034 2.308 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
629 1 88 ILE MD 1 88 ILE MG 2.200 . 5.500 2.414 2.173 2.629 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
630 1 89 THR HA 1 92 VAL H 4.200 . 4.500 3.770 3.496 3.898 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
631 1 89 THR HA 1 92 VAL HB 2.700 . 3.000 3.012 2.916 3.068 0.068 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
632 1 89 THR HA 1 90 ALA H 4.200 . 4.500 3.575 3.549 3.585 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
633 1 89 THR H 1 90 ALA H 4.200 . 4.500 2.999 2.455 3.119 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
634 1 89 THR H 1 89 THR MG 4.200 . 6.000 3.729 3.647 3.791 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
635 1 89 THR HA 1 89 THR MG 2.200 . 4.000 2.267 2.104 2.426 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
636 1 89 THR HB 1 89 THR MG 2.200 . 4.000 2.109 2.090 2.135 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
637 1 89 THR MG 1 90 ALA H 4.200 . 6.000 3.444 3.168 3.792 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
638 1 89 THR MG 1 93 ASN H 4.200 . 6.000 4.012 3.427 4.298 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
639 1 90 ALA H 1 90 ALA HA 2.200 . 2.500 2.771 2.754 2.798 0.298 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
640 1 90 ALA H 1 90 ALA MB 2.200 . 4.000 2.095 1.977 2.215 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
641 1 90 ALA HA 1 90 ALA MB 2.200 . 4.000 2.092 2.072 2.117 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
642 1 90 ALA HA 1 93 ASN H 4.200 . 4.500 3.579 3.092 3.899 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
643 1 90 ALA H 1 91 SER H 2.700 . 3.000 2.750 2.578 2.813 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
644 1 90 ALA MB 1 91 SER H 2.700 . 4.500 2.590 2.363 2.696 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
645 1 91 SER H 1 91 SER HA 2.700 . 3.000 2.816 2.803 2.826 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
646 1 91 SER HA 1 92 VAL H 4.200 . 4.500 3.481 3.446 3.525 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
647 1 91 SER HA 1 94 CYS H 4.200 . 4.500 3.895 3.812 4.298 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
648 1 91 SER QB 1 92 VAL H 4.200 . 5.500 2.960 2.564 3.422 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
649 1 91 SER H 1 92 VAL H 2.700 . 3.000 2.623 2.585 2.700 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
650 1 92 VAL H 1 92 VAL HA 2.700 . 3.000 2.866 2.848 2.904 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
651 1 92 VAL H 1 92 VAL HB 2.200 . 2.500 2.488 2.443 2.507 0.007 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
652 1 92 VAL HA 1 92 VAL HB 2.700 . 3.000 3.016 3.009 3.021 0.021 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
653 1 92 VAL HA 1 92 VAL MG2 2.200 . 4.000 2.275 2.164 2.380 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
654 1 92 VAL HA 1 92 VAL MG1 2.200 . 4.000 2.420 2.372 2.494 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
655 1 92 VAL H 1 92 VAL MG2 2.200 . 4.000 2.575 2.421 2.748 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
656 1 92 VAL H 1 92 VAL MG1 4.200 . 6.000 3.788 3.767 3.803 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
657 1 92 VAL HA 1 95 ALA H 2.700 . 3.000 3.084 3.025 3.197 0.197 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
658 1 92 VAL H 1 93 ASN H 2.700 . 3.000 2.595 2.318 2.706 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
659 1 92 VAL HA 1 95 ALA MB 2.200 . 4.000 2.560 2.371 2.805 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
660 1 92 VAL MG2 1 93 ASN H 4.200 . 6.000 3.947 3.884 4.081 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
661 1 92 VAL HB 1 93 ASN H 2.700 . 3.000 2.589 2.452 3.007 0.007 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
662 1 92 VAL MG1 1 93 ASN H 4.200 . 6.000 3.147 2.913 3.607 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
663 1 92 VAL MG1 1 96 LYS HA 2.700 . 4.500 3.848 3.763 3.889 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
664 1 92 VAL HB 1 92 VAL MG2 2.200 . 4.000 2.111 2.088 2.134 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
665 1 92 VAL H 1 94 CYS H 5.200 . 5.500 4.016 3.904 4.171 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
666 1 93 ASN H 1 93 ASN HA 2.200 . 2.500 2.682 2.659 2.762 0.262 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
667 1 93 ASN H 1 93 ASN HB2 2.700 . 3.000 3.147 3.107 3.259 0.259 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
668 1 93 ASN H 1 93 ASN HB3 2.200 . 2.500 2.024 1.981 2.049 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
669 1 93 ASN HA 1 93 ASN HB2 2.700 . 3.000 2.209 2.206 2.217 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
670 1 93 ASN HA 1 93 ASN HB3 2.200 . 2.500 2.800 2.724 2.840 0.340 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
671 1 93 ASN HB2 1 94 CYS H 4.200 . 4.500 4.070 3.977 4.147 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
672 1 93 ASN HA 1 96 LYS H 4.200 . 4.500 3.497 3.358 3.612 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
673 1 93 ASN H 1 94 CYS H 2.700 . 3.000 2.811 2.522 2.891 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
674 1 94 CYS H 1 94 CYS HA 2.700 . 3.000 2.818 2.805 2.835 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
675 1 94 CYS H 1 94 CYS HB2 2.700 . 3.000 2.253 2.218 2.354 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
676 1 94 CYS H 1 94 CYS HB3 2.700 . 3.000 2.879 2.743 2.915 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
677 1 94 CYS HA 1 94 CYS HB2 2.700 . 3.000 2.640 2.574 2.669 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
678 1 94 CYS HA 1 95 ALA H 4.200 . 4.500 3.574 3.570 3.582 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
679 1 94 CYS HB3 1 95 ALA H 2.700 . 3.000 2.476 2.356 2.542 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
680 1 94 CYS HA 1 97 LYS H 4.200 . 4.500 3.656 3.505 3.781 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
681 1 94 CYS H 1 95 ALA H 2.700 . 3.000 2.707 2.627 2.751 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
682 1 95 ALA H 1 95 ALA HA 2.700 . 3.000 2.848 2.839 2.856 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
683 1 95 ALA H 1 95 ALA MB 2.200 . 4.000 2.180 2.076 2.282 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
684 1 95 ALA HA 1 95 ALA MB 2.200 . 4.000 2.083 2.056 2.108 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
685 1 95 ALA H 1 96 LYS H 2.700 . 3.000 2.582 2.517 2.632 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
686 1 95 ALA H 1 97 LYS H 4.200 . 4.500 3.948 3.855 4.174 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
687 1 95 ALA MB 1 96 LYS H 2.700 . 4.500 2.762 2.632 2.959 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
688 1 95 ALA MB 1 108 TRP HH2 2.200 . 4.000 2.619 2.167 3.142 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
689 1 95 ALA MB 1 108 TRP HZ2 2.700 . 4.500 1.993 1.654 2.387 0.146 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
690 1 95 ALA HA 1 108 TRP HZ2 2.700 . 3.000 3.093 3.046 3.143 0.143 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
691 1 95 ALA H 1 98 ILE MG 7.200 . 9.000 5.644 5.571 5.701 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
692 1 96 LYS H 1 96 LYS HA 2.700 . 3.000 2.755 2.738 2.781 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
693 1 96 LYS H 1 96 LYS QB 2.200 . 3.500 2.166 2.053 2.273 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
694 1 96 LYS H 1 97 LYS H 2.700 . 3.000 2.527 2.507 2.552 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
695 1 97 LYS H 1 97 LYS HA 2.700 . 3.000 2.897 2.888 2.911 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
696 1 97 LYS HA 1 98 ILE H 4.200 . 4.500 3.500 3.464 3.527 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
697 1 97 LYS H 1 98 ILE H 2.700 . 3.000 2.329 2.292 2.358 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
698 1 97 LYS H 1 99 VAL H 4.200 . 4.500 4.164 4.087 4.229 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
699 1 98 ILE H 1 98 ILE HB 2.700 . 3.000 2.466 2.379 2.543 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
700 1 98 ILE H 1 98 ILE MG 4.200 . 6.000 3.759 3.731 3.776 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
701 1 98 ILE H 1 98 ILE QG 2.700 . 4.000 2.274 2.140 2.429 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
702 1 98 ILE H 1 98 ILE MD 4.200 . 6.000 3.592 3.485 3.677 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
703 1 98 ILE H 1 99 VAL H 4.200 . 4.500 2.710 2.608 2.772 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
704 1 98 ILE MG 1 99 VAL HA 4.200 . 6.000 3.301 3.142 3.449 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
705 1 98 ILE HB 1 99 VAL H 2.700 . 3.000 2.446 2.365 2.508 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
706 1 98 ILE MG 1 108 TRP HZ3 4.200 . 6.000 3.895 3.449 4.242 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
707 1 98 ILE MG 1 108 TRP HZ2 4.200 . 6.000 2.808 2.219 3.295 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
708 1 98 ILE MG 1 99 VAL H 4.200 . 6.000 3.129 2.981 3.241 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
709 1 98 ILE HA 1 98 ILE MG 2.200 . 4.000 2.419 2.342 2.485 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
710 1 98 ILE MD 1 98 ILE MG 2.700 . 6.000 1.999 1.778 2.207 0.022 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
711 1 98 ILE MD 1 108 TRP HZ2 2.700 . 4.500 2.136 1.696 2.593 0.104 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
712 1 98 ILE MG 1 108 TRP HE1 5.200 . 7.000 4.164 3.306 4.675 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
713 1 98 ILE QG 1 99 VAL H 5.200 . 6.500 4.046 3.987 4.087 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
714 1 98 ILE MG 1 99 VAL HB 7.200 . 9.000 3.853 3.539 4.039 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
715 1 98 ILE MG 1 107 ALA H 5.200 . 7.000 4.780 4.087 5.295 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
716 1 98 ILE MG 1 108 TRP HE3 5.200 . 7.000 4.888 4.581 5.239 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
717 1 99 VAL H 1 99 VAL HB 2.200 . 2.500 2.434 2.307 2.533 0.033 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
718 1 99 VAL HA 1 99 VAL HB 2.200 . 2.500 2.545 2.477 2.606 0.106 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
719 1 99 VAL H 1 99 VAL QG 2.700 . 5.400 2.334 2.044 2.564 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
720 1 99 VAL H 1 100 SER H 4.200 . 4.500 2.521 2.484 2.556 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
721 1 99 VAL HA 1 100 SER H 4.200 . 4.500 3.469 3.437 3.504 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
722 1 99 VAL HB 1 100 SER H 4.200 . 4.500 4.002 3.863 4.121 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
723 1 99 VAL QG 1 108 TRP HZ3 2.700 . 5.400 3.364 2.779 3.864 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
724 1 99 VAL HB 1 108 TRP HZ3 4.200 . 4.500 3.678 3.215 4.091 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
725 1 99 VAL H 1 108 TRP HZ3 5.200 . 5.500 5.263 4.750 5.505 0.005 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
726 1 100 SER H 1 100 SER HA 2.700 . 3.000 2.905 2.886 2.920 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
727 1 100 SER H 1 101 ASP H 4.200 . 4.500 2.322 2.254 2.442 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
728 1 101 ASP H 1 101 ASP QB 2.200 . 3.500 2.350 2.097 2.808 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
729 1 101 ASP HA 1 101 ASP QB 2.200 . 3.500 2.497 2.415 2.540 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
730 1 101 ASP HA 1 102 GLY H 4.200 . 4.500 3.249 2.280 3.385 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
731 1 104 GLY H 1 105 MET H 4.200 . 4.500 3.833 1.784 4.565 0.065 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
732 1 104 GLY QA 1 105 MET H 4.200 . 5.500 2.229 2.089 2.773 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
733 1 105 MET HA 1 105 MET ME 2.700 . 3.000 2.139 1.992 2.321 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
734 1 105 MET QB 1 108 TRP HE3 4.200 . 5.500 3.646 3.423 3.871 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
735 1 105 MET HA 1 108 TRP HE3 2.200 . 2.500 1.972 1.785 2.191 0.015 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
736 1 105 MET HA 1 108 TRP HZ3 2.700 . 3.000 2.452 2.087 2.938 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
737 1 105 MET QB 1 105 MET ME 2.700 . 4.000 2.007 1.795 2.904 0.005 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
738 1 105 MET QB 1 111 TRP HZ2 4.200 . 5.500 3.696 3.382 3.881 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
739 1 105 MET QB 1 108 TRP HZ3 5.200 . 6.500 4.254 3.922 4.679 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
740 1 105 MET QB 1 111 TRP HE1 5.200 . 6.500 3.440 3.192 3.820 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
741 1 105 MET ME 1 111 TRP HE1 5.200 . 5.500 4.046 3.712 4.413 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
742 1 105 MET QB 1 106 ASN H 5.200 . 6.500 3.410 3.069 3.633 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
743 1 106 ASN HA 1 107 ALA H 4.200 . 4.500 3.505 3.480 3.538 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
744 1 106 ASN H 1 107 ALA H 2.700 . 3.000 2.383 2.178 2.534 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
745 1 107 ALA H 1 107 ALA HA 2.700 . 3.000 2.774 2.747 2.820 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
746 1 107 ALA H 1 107 ALA MB 2.200 . 4.000 2.119 2.022 2.236 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
747 1 107 ALA HA 1 107 ALA MB 2.200 . 4.000 2.105 2.084 2.130 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
748 1 107 ALA HA 1 108 TRP H 4.200 . 4.500 3.521 3.333 3.554 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
749 1 107 ALA MB 1 108 TRP H 4.200 . 6.000 2.573 2.341 3.190 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
750 1 107 ALA MB 1 108 TRP HE3 2.700 . 4.500 3.450 3.162 3.612 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
751 1 107 ALA H 1 108 TRP H 2.700 . 3.000 2.788 2.586 2.891 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
752 1 107 ALA H 1 109 VAL H 7.200 . 7.500 6.819 6.614 6.962 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
753 1 108 TRP HA 1 108 TRP HD1 4.200 . 4.500 3.064 2.982 3.271 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
754 1 108 TRP H 1 108 TRP HE3 4.200 . 4.500 2.377 2.022 2.586 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
755 1 108 TRP H 1 108 TRP HZ3 5.200 . 5.500 4.341 4.026 4.593 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
756 1 109 VAL HA 1 109 VAL HB 2.200 . 2.500 2.884 2.872 2.909 0.409 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
757 1 109 VAL HA 1 112 ARG H 2.700 . 3.000 3.051 3.014 3.092 0.092 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
758 1 109 VAL H 1 109 VAL HB 2.700 . 3.000 2.974 2.824 3.036 0.036 21 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
759 1 109 VAL H 1 110 ALA H 2.700 . 3.000 2.616 2.557 2.672 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
760 1 109 VAL H 1 111 TRP H 4.200 . 4.500 4.222 4.108 4.332 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
761 1 109 VAL H 1 109 VAL QG 2.700 . 5.400 1.736 1.531 1.903 0.269 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
762 1 109 VAL QG 1 110 ALA H 4.200 . 6.900 3.292 3.191 3.456 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
763 1 109 VAL HB 1 110 ALA H 2.700 . 3.000 3.127 3.072 3.196 0.196 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
764 1 109 VAL HA 1 110 ALA H 4.200 . 4.500 3.462 3.421 3.487 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
765 1 109 VAL H 1 112 ARG H 5.200 . 5.500 4.905 4.801 5.055 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
766 1 110 ALA H 1 110 ALA HA 2.700 . 3.000 2.846 2.826 2.865 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
767 1 110 ALA HA 1 110 ALA MB 2.200 . 4.000 2.113 2.085 2.131 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
768 1 110 ALA HA 1 113 ASN QB 2.700 . 4.000 2.988 2.799 3.725 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
769 1 110 ALA H 1 110 ALA MB 2.200 . 4.000 2.178 2.048 2.268 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
770 1 110 ALA H 1 111 TRP H 2.700 . 3.000 2.497 2.429 2.594 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
771 1 111 TRP H 1 111 TRP HA 2.700 . 3.000 2.901 2.887 2.918 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
772 1 111 TRP H 1 112 ARG H 2.200 . 2.500 2.331 2.252 2.400 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
773 1 111 TRP HE3 1 112 ARG HA 2.700 . 3.000 2.856 2.650 3.022 0.022 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
774 1 111 TRP HE3 1 112 ARG QB 4.200 . 5.500 3.141 2.615 3.646 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
775 1 111 TRP HE1 1 116 LYS HA 5.200 . 5.500 5.445 4.998 5.533 0.033 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
776 1 111 TRP HZ2 1 116 LYS QB 5.200 . 6.500 5.065 4.490 5.547 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
777 1 112 ARG H 1 112 ARG HA 2.700 . 3.000 2.914 2.906 2.917 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
778 1 112 ARG H 1 112 ARG QB 2.200 . 3.500 2.159 2.107 2.958 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
779 1 112 ARG H 1 113 ASN H 4.200 . 4.500 3.163 2.418 3.228 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
780 1 112 ARG QB 1 113 ASN H 2.700 . 4.000 3.813 2.514 3.882 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
781 1 112 ARG HA 1 116 LYS QB 2.700 . 4.000 2.104 1.705 2.489 0.095 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
782 1 112 ARG H 1 116 LYS QB 7.200 . 8.500 4.610 4.211 4.970 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
783 1 113 ASN H 1 113 ASN QB 2.200 . 3.500 2.772 2.124 2.840 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
784 1 113 ASN HA 1 113 ASN QB 2.200 . 3.500 2.492 2.381 2.540 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
785 1 113 ASN QB 1 114 ARG H 2.700 . 4.000 2.186 1.996 2.691 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
786 1 113 ASN H 1 114 ARG H 4.200 . 4.500 2.359 2.250 2.478 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
787 1 114 ARG H 1 114 ARG HA 2.700 . 3.000 2.934 2.904 2.946 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
788 1 114 ARG H 1 114 ARG QB 2.700 . 4.000 2.254 2.131 2.334 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
789 1 114 ARG H 1 115 CYS H 4.200 . 4.500 2.261 2.181 2.419 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
790 1 116 LYS H 1 116 LYS HA 2.700 . 3.000 2.790 2.752 2.829 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
791 1 116 LYS H 1 116 LYS QB 2.200 . 3.500 2.195 2.126 2.247 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
792 1 116 LYS HA 1 117 GLY H 2.200 . 2.500 2.243 2.196 2.301 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
793 1 116 LYS QB 1 117 GLY H 4.200 . 5.500 3.995 3.948 4.035 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
794 1 116 LYS H 1 117 GLY H 5.200 . 5.500 4.184 4.062 4.272 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
795 1 117 GLY H 1 118 THR H 2.700 . 3.000 1.854 1.790 1.974 0.010 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
796 1 118 THR H 1 118 THR HB 4.200 . 4.500 3.759 3.732 3.792 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
797 1 118 THR HA 1 118 THR HB 2.200 . 2.500 2.470 2.428 2.508 0.008 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
798 1 118 THR HA 1 119 ASP H 2.700 . 3.000 2.983 2.896 3.017 0.017 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
799 1 118 THR H 1 118 THR MG 2.700 . 4.500 2.848 2.679 3.029 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
800 1 118 THR HB 1 118 THR MG 2.200 . 4.000 2.113 2.089 2.135 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
801 1 118 THR MG 1 119 ASP H 4.200 . 6.000 3.439 3.380 3.486 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
802 1 119 ASP H 1 119 ASP HA 2.700 . 3.000 2.925 2.917 2.933 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
803 1 119 ASP HA 1 119 ASP HB2 2.200 . 2.500 2.602 2.597 2.607 0.107 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
804 1 119 ASP HA 1 119 ASP HB3 2.200 . 2.500 2.919 2.918 2.921 0.421 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
805 1 119 ASP HA 1 120 VAL H 2.200 . 2.500 2.165 2.145 2.200 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
806 1 119 ASP H 1 119 ASP HB2 4.200 . 4.500 2.854 2.715 2.909 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
807 1 119 ASP H 1 119 ASP HB3 2.700 . 3.000 2.991 2.913 3.021 0.021 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
808 1 119 ASP HA 1 121 GLN H 4.200 . 4.500 3.525 3.460 3.669 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
809 1 120 VAL H 1 120 VAL HA 2.700 . 3.000 2.852 2.832 2.868 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
810 1 120 VAL H 1 121 GLN H 2.700 . 3.000 2.451 2.380 2.553 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
811 1 120 VAL H 1 120 VAL QG 2.700 . 5.400 1.907 1.723 2.045 0.077 16 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
812 1 120 VAL QG 1 121 GLN H 4.200 . 6.900 1.991 1.765 2.279 0.035 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
813 1 120 VAL HA 1 123 TRP HE1 4.200 . 4.500 3.968 3.881 4.112 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
814 1 121 GLN H 1 121 GLN HA 2.700 . 3.000 2.803 2.799 2.808 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
815 1 121 GLN H 1 121 GLN QB 2.700 . 4.000 2.190 2.047 2.574 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
816 1 121 GLN HA 1 122 ALA H 4.200 . 4.500 3.429 3.414 3.444 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
817 1 121 GLN H 1 122 ALA H 2.700 . 3.000 2.568 2.544 2.590 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
818 1 121 GLN H 1 123 TRP H 5.200 . 5.500 3.884 3.829 3.972 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
819 1 121 GLN H 1 123 TRP HD1 5.200 . 5.500 5.198 5.062 5.361 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
820 1 122 ALA H 1 122 ALA HA 2.700 . 3.000 2.909 2.902 2.911 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
821 1 122 ALA HA 1 122 ALA MB 2.200 . 4.000 2.109 2.085 2.131 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
822 1 122 ALA H 1 122 ALA MB 2.200 . 4.000 2.212 2.125 2.313 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
823 1 122 ALA HA 1 123 TRP H 4.200 . 4.500 3.447 3.428 3.487 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
824 1 122 ALA MB 1 123 TRP H 2.700 . 4.500 2.986 2.815 3.055 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
825 1 123 TRP H 1 123 TRP HA 2.700 . 3.000 2.823 2.808 2.862 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
826 1 123 TRP H 1 123 TRP HB2 4.200 . 4.500 2.205 2.197 2.394 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
827 1 123 TRP H 1 123 TRP HB3 4.200 . 4.500 3.510 3.505 3.596 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
828 1 123 TRP HA 1 123 TRP HB3 2.700 . 3.000 2.672 2.526 2.677 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
829 1 123 TRP HB3 1 124 ILE H 4.200 . 4.500 3.776 3.738 3.983 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
830 1 123 TRP HB2 1 123 TRP HE3 4.200 . 4.500 4.208 4.199 4.216 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
831 1 123 TRP HB3 1 123 TRP HE3 4.200 . 4.500 3.219 3.094 3.310 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
832 1 123 TRP HA 1 123 TRP HE3 2.700 . 3.000 1.954 1.818 2.170 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
833 1 123 TRP HB2 1 123 TRP HE1 5.200 . 5.500 4.753 4.750 4.756 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
834 1 124 ILE HA 1 124 ILE HB 2.200 . 2.500 2.530 2.501 2.605 0.105 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
835 1 124 ILE H 1 124 ILE QG 2.700 . 4.000 1.985 1.622 2.212 0.178 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
836 1 124 ILE H 1 124 ILE MG 2.700 . 4.500 3.131 2.994 3.285 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
837 1 124 ILE H 1 125 ARG H 2.200 . 2.500 2.115 2.036 2.486 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
838 1 124 ILE HB 1 124 ILE MD 2.700 . 4.500 2.112 1.990 2.263 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
839 1 124 ILE HB 1 124 ILE MG 2.200 . 4.000 2.104 2.081 2.127 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
840 1 125 ARG H 1 125 ARG HA 2.700 . 3.000 2.828 2.818 2.842 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
841 1 125 ARG H 1 125 ARG QB 2.200 . 3.500 2.159 2.048 2.607 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
842 1 125 ARG QB 1 126 GLY H 4.200 . 5.500 3.930 3.789 4.015 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
843 1 125 ARG HA 1 126 GLY H 2.200 . 2.500 2.222 2.163 2.316 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
844 1 125 ARG H 1 126 GLY H 5.200 . 5.500 4.219 4.050 4.362 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
845 1 126 GLY H 1 127 CYS H 2.700 . 3.000 2.079 1.754 2.258 0.046 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
846 1 127 CYS H 1 127 CYS HA 2.700 . 3.000 2.816 2.772 2.930 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
847 1 127 CYS H 1 127 CYS HB3 4.200 . 4.500 3.481 3.456 3.769 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
848 1 127 CYS H 1 127 CYS HB2 4.200 . 4.500 2.174 2.122 2.911 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
849 1 127 CYS HA 1 127 CYS HB3 2.200 . 2.500 2.640 2.267 2.666 0.166 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
850 1 127 CYS HA 1 127 CYS HB2 2.700 . 3.000 2.910 2.907 2.923 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
851 1 127 CYS HB2 1 128 ARG H 4.200 . 4.500 3.669 3.341 4.415 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
852 1 127 CYS H 1 128 ARG H 4.200 . 4.500 4.510 4.449 4.530 0.030 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
853 1 127 CYS HA 1 128 ARG H 2.700 . 3.000 2.520 2.146 2.742 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
854 1 127 CYS HB2 1 129 LEU QD 4.200 . 6.900 2.754 2.295 3.163 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
855 1 127 CYS HA 1 129 LEU H 7.200 . 7.500 5.426 4.465 6.023 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
856 1 128 ARG HA 1 128 ARG QB 2.200 . 3.500 2.432 2.166 2.539 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
857 1 128 ARG HA 1 129 LEU H 2.200 . 2.500 2.294 2.157 2.563 0.063 21 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
858 1 128 ARG H 1 129 LEU QB 4.200 . 5.500 4.406 4.011 4.965 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
859 1 129 LEU H 1 129 LEU HA 2.700 . 3.000 2.916 2.873 2.948 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
860 1 129 LEU HA 1 129 LEU QD 2.200 . 4.900 3.279 2.254 3.459 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
861 1 129 LEU H 1 129 LEU QD 4.200 . 6.900 2.991 1.682 3.416 0.118 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
862 1 129 LEU H 1 129 LEU HG 2.700 . 3.000 2.320 1.911 3.006 0.006 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
863 1 129 LEU QB 1 129 LEU HG 2.200 . 3.500 2.518 2.414 2.537 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
864 1 1 LYS QB 1 86 SER HA 4.200 . 5.500 4.100 2.935 4.781 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
865 1 1 LYS HA 1 1 LYS QG 2.700 . 4.000 2.269 2.010 3.383 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
866 1 1 LYS QE 1 1 LYS QG 2.700 . 5.000 2.173 1.904 2.588 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
867 1 1 LYS QE 1 86 SER HA 4.200 . 5.500 4.433 2.965 4.963 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
868 1 2 VAL HA 1 39 ASN HB2 4.200 . 4.500 4.385 4.159 4.523 0.023 21 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
869 1 2 VAL HA 1 40 THR MG 4.200 . 6.000 2.736 2.402 3.085 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
870 1 2 VAL MG1 1 38 PHE HB2 4.200 . 6.000 1.949 1.806 2.093 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
871 1 2 VAL MG1 1 39 ASN HB2 4.200 . 6.000 3.406 3.185 3.637 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
872 1 2 VAL MG2 1 39 ASN HB3 4.200 . 6.000 3.423 3.298 3.582 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
873 1 2 VAL MG2 1 39 ASN HB2 2.700 . 4.500 2.131 1.895 2.370 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
874 1 1 LYS HA 1 2 VAL MG2 4.200 . 6.000 4.064 3.632 4.465 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
875 1 3 PHE HB3 1 38 PHE HB3 4.200 . 4.500 3.520 2.954 4.087 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
876 1 3 PHE HB3 1 8 LEU HB2 4.200 . 4.500 2.138 1.747 2.646 0.053 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
877 1 3 PHE HB3 1 7 GLU QB 4.200 . 5.500 3.443 2.795 4.193 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
878 1 3 PHE HB2 1 8 LEU HB3 4.200 . 4.500 4.110 3.806 4.517 0.017 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
879 1 3 PHE HB2 1 8 LEU HB2 4.200 . 4.500 2.829 2.425 3.477 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
880 1 3 PHE HB2 1 38 PHE HB3 4.200 . 4.500 2.169 1.760 2.721 0.040 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
881 1 4 GLY QA 1 7 GLU QB 4.200 . 6.500 2.662 1.932 3.122 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
882 1 5 ARG HA 1 5 ARG QD 4.200 . 5.500 3.890 2.781 4.542 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
883 1 6 CYS HB3 1 127 CYS HB3 4.200 . 4.500 2.383 1.767 3.241 0.033 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
884 1 6 CYS HB3 1 9 ALA MB 4.200 . 6.000 3.260 3.098 3.488 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
885 1 6 CYS HB2 1 9 ALA MB 4.200 . 6.000 4.255 4.073 4.467 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
886 1 9 ALA MB 1 12 MET HB3 4.200 . 6.000 5.062 5.033 5.105 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
887 1 12 MET HA 1 12 MET HB3 2.700 . 3.000 2.374 2.344 2.510 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
888 1 12 MET HA 1 12 MET HB2 2.700 . 3.000 3.005 2.997 3.010 0.010 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
889 1 12 MET HB2 1 17 LEU QD 4.200 . 6.900 4.558 4.018 4.727 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
890 1 12 MET HB2 1 25 LEU QD 4.200 . 6.900 1.778 1.502 2.850 0.298 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
891 1 12 MET QG 1 88 ILE MD 4.200 . 7.000 3.630 2.246 4.169 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
892 1 12 MET QG 1 17 LEU QD 4.200 . 7.900 4.061 2.119 4.308 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
893 1 12 MET ME 1 17 LEU HG 2.700 . 3.000 2.361 2.152 2.526 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
894 1 12 MET ME 1 28 TRP HA 4.200 . 4.500 3.741 3.628 3.839 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
895 1 12 MET ME 1 28 TRP HB3 4.200 . 4.500 1.631 1.386 1.999 0.414 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
896 1 12 MET ME 1 28 TRP HB2 4.200 . 4.500 2.237 1.701 2.538 0.099 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
897 1 12 MET ME 1 28 TRP HE3 4.200 . 4.500 3.086 2.707 3.745 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
898 1 12 MET ME 1 28 TRP HD1 4.200 . 4.500 3.704 3.501 3.870 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
899 1 13 LYS HA 1 13 LYS QG 2.700 . 4.000 2.278 2.012 2.695 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
900 1 13 LYS HA 1 13 LYS QD 4.200 . 5.500 3.590 2.436 4.144 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
901 1 13 LYS HA 1 13 LYS QE 4.200 . 5.500 4.290 3.301 4.835 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
902 1 13 LYS HA 1 25 LEU QD 4.200 . 6.900 2.788 1.910 3.502 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
903 1 14 ARG HA 1 14 ARG QD 4.200 . 5.500 3.654 2.223 4.158 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
904 1 15 HIS HA 1 92 VAL MG1 4.200 . 6.000 4.577 4.245 4.874 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
905 1 15 HIS HB3 1 92 VAL MG2 4.200 . 6.000 3.609 3.199 4.094 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
906 1 15 HIS HB3 1 92 VAL MG1 4.200 . 6.000 2.411 2.084 2.776 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
907 1 17 LEU HA 1 20 TYR HB2 2.700 . 3.000 2.185 1.780 2.377 0.020 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
908 1 12 MET HB2 1 17 LEU HB2 4.200 . 4.500 3.869 3.714 4.011 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
909 1 12 MET HB3 1 17 LEU QD 4.200 . 6.900 3.327 2.894 3.513 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
910 1 17 LEU QD 1 20 TYR HB3 4.200 . 6.900 3.896 3.520 4.055 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
911 1 17 LEU HA 1 20 TYR HB3 4.200 . 4.500 2.916 2.563 3.119 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
912 1 21 ARG HA 1 21 ARG QD 4.200 . 5.500 3.194 1.717 4.121 0.083 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
913 1 24 SER HA 1 24 SER HB3 2.200 . 2.500 2.498 2.437 2.518 0.018 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
914 1 24 SER HA 1 24 SER HB2 2.200 . 2.500 2.410 2.383 2.479 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
915 1 19 ASN QB 1 24 SER HA 4.200 . 5.500 3.159 2.919 4.014 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
916 1 25 LEU HA 1 28 TRP QB 4.200 . 5.500 2.851 2.426 3.091 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
917 1 25 LEU HA 1 28 TRP HD1 2.700 . 3.000 1.996 1.641 2.163 0.159 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
918 1 18 ASP HA 1 25 LEU QB 4.200 . 5.500 3.267 2.031 3.467 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
919 1 18 ASP HB3 1 25 LEU QB 4.200 . 5.500 4.802 4.030 5.000 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
920 1 18 ASP HB2 1 25 LEU QB 4.200 . 5.500 3.253 2.634 3.487 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
921 1 18 ASP HB3 1 25 LEU QD 4.200 . 6.900 3.145 2.899 4.328 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
922 1 18 ASP HB2 1 25 LEU QD 4.200 . 6.900 1.911 1.585 2.924 0.215 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
923 1 13 LYS QB 1 25 LEU QD 4.200 . 7.900 2.504 2.054 3.075 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
924 1 17 LEU QD 1 25 LEU QD 4.200 . 9.300 4.252 3.368 5.031 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
925 1 9 ALA HA 1 25 LEU QD 4.200 . 6.900 2.622 2.194 3.660 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
926 1 27 ASN HB3 1 105 MET ME 4.200 . 4.500 2.660 2.170 3.299 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
927 1 27 ASN HB2 1 105 MET ME 4.200 . 4.500 3.161 2.769 3.652 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
928 1 28 TRP HA 1 31 ALA MB 2.700 . 4.500 2.880 2.660 3.144 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
929 1 28 TRP HA 1 105 MET ME 2.700 . 3.000 2.214 1.773 2.432 0.027 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
930 1 28 TRP HA 1 28 TRP HD1 4.200 . 4.500 4.235 4.151 4.322 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
931 1 17 LEU QD 1 28 TRP QB 4.200 . 7.900 2.978 2.445 3.380 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
932 1 8 LEU QD 1 29 VAL HA 4.200 . 6.900 2.795 2.278 3.239 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
933 1 28 TRP HD1 1 29 VAL MG2 4.200 . 6.000 4.842 4.759 4.910 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
934 1 28 TRP HB2 1 29 VAL MG2 4.200 . 6.000 3.203 3.018 3.411 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
935 1 8 LEU QD 1 29 VAL MG2 4.200 . 8.400 2.761 2.061 3.221 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
936 1 8 LEU QD 1 29 VAL MG1 4.200 . 8.400 3.166 2.713 3.446 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
937 1 29 VAL MG1 1 123 TRP HA 4.200 . 6.000 4.842 4.762 4.902 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
938 1 29 VAL MG1 1 30 CYS HA 4.200 . 6.000 3.411 3.189 3.603 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
939 1 29 VAL MG1 1 123 TRP HD1 4.200 . 6.000 4.826 4.749 4.881 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
940 1 31 ALA HA 1 111 TRP HB2 4.200 . 4.500 2.251 1.936 2.702 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
941 1 31 ALA MB 1 111 TRP HB3 4.200 . 6.000 3.024 2.853 3.137 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
942 1 31 ALA MB 1 111 TRP HB2 4.200 . 6.000 1.777 1.524 2.021 0.276 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
943 1 31 ALA MB 1 105 MET ME 4.200 . 6.000 2.225 1.848 2.377 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
944 1 31 ALA MB 1 56 LEU QD 4.200 . 8.400 2.885 2.697 3.029 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
945 1 33 LYS HA 1 37 ASN HA 4.200 . 4.500 3.139 2.465 3.757 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
946 1 33 LYS HA 1 33 LYS HB3 2.700 . 3.000 3.016 2.995 3.021 0.021 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
947 1 33 LYS HA 1 33 LYS HB2 2.700 . 3.000 2.470 2.324 2.574 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
948 1 36 SER HB3 1 42 ALA MB 4.200 . 6.000 2.910 2.431 4.370 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
949 1 36 SER HB2 1 42 ALA MB 4.200 . 6.000 2.179 1.663 3.537 0.137 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
950 1 2 VAL MG1 1 38 PHE HB3 4.200 . 6.000 2.354 2.145 2.692 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
951 1 3 PHE HB2 1 38 PHE HB2 4.200 . 4.500 3.835 3.232 4.457 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
952 1 38 PHE HB2 1 55 ILE MD 4.200 . 6.000 3.842 3.622 4.133 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
953 1 40 THR HA 1 55 ILE MD 4.200 . 6.000 3.940 3.517 4.197 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
954 1 40 THR HA 1 55 ILE MG 4.200 . 6.000 3.698 3.056 4.462 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
955 1 40 THR MG 1 86 SER HA 2.700 . 4.500 3.003 2.341 3.596 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
956 1 41 GLN HA 1 41 GLN HB3 2.700 . 3.000 2.684 2.677 2.689 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
957 1 41 GLN HA 1 84 LEU HA 4.200 . 4.500 3.944 2.527 4.515 0.015 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
958 1 41 GLN HA 1 84 LEU QD 4.200 . 6.900 2.998 2.660 3.292 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
959 1 41 GLN HB3 1 84 LEU QD 4.200 . 6.900 4.753 4.233 5.061 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
960 1 43 THR HA 1 53 TYR HB3 4.200 . 4.500 4.570 4.535 4.637 0.137 21 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
961 1 43 THR MG 1 53 TYR HA 4.200 . 6.000 2.941 2.512 3.195 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
962 1 43 THR HB 1 51 THR MG 2.700 . 4.500 2.675 1.871 3.346 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
963 1 45 ARG HA 1 51 THR HB 4.200 . 4.500 4.147 3.790 4.396 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
964 1 45 ARG QB 1 51 THR HA 4.200 . 5.500 4.362 3.444 4.710 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
965 1 45 ARG QB 1 51 THR MG 4.200 . 7.000 2.768 2.028 3.604 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
966 1 38 PHE HB3 1 55 ILE MD 4.200 . 6.000 2.595 2.221 2.889 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
967 1 8 LEU QD 1 55 ILE MD 4.200 . 8.400 2.080 1.578 2.601 0.222 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
968 1 8 LEU QD 1 55 ILE MG 4.200 . 8.400 2.921 2.612 3.203 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
969 1 55 ILE MD 1 56 LEU QD 4.200 . 8.400 3.777 3.345 4.054 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
970 1 55 ILE MG 1 91 SER QB 4.200 . 7.000 2.738 1.959 3.259 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
971 1 66 ASP HA 1 80 CYS HB2 4.200 . 4.500 3.649 3.219 4.190 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
972 1 66 ASP HB3 1 80 CYS HB2 4.200 . 4.500 3.639 2.863 4.001 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
973 1 66 ASP HB2 1 80 CYS HB2 4.200 . 4.500 4.103 3.725 4.507 0.007 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
974 1 76 CYS QB 1 78 ILE HA 4.200 . 5.500 4.773 4.691 4.835 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
975 1 78 ILE HA 1 79 PRO QD 2.700 . 4.000 2.016 1.795 2.170 0.005 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
976 1 78 ILE HB 1 79 PRO QD 2.700 . 4.000 2.471 2.095 3.754 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
977 1 64 CYS HB3 1 78 ILE MG 4.200 . 6.000 3.180 1.572 3.863 0.228 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
978 1 64 CYS HB2 1 78 ILE MG 4.200 . 6.000 3.653 1.866 4.025 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
979 1 78 ILE MG 1 79 PRO QD 4.200 . 7.000 3.581 2.319 4.114 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
980 1 78 ILE QG 1 79 PRO QD 4.200 . 6.500 2.579 1.740 3.256 0.060 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
981 1 78 ILE MD 1 79 PRO QD 4.200 . 7.000 3.956 3.210 4.467 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
982 1 81 SER HA 1 84 LEU HB3 4.200 . 4.500 4.538 4.254 4.589 0.089 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
983 1 81 SER HA 1 84 LEU HB2 4.200 . 4.500 3.111 2.702 3.402 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
984 1 40 THR MG 1 86 SER QB 4.200 . 7.000 4.338 3.569 5.105 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
985 1 1 LYS QG 1 86 SER QB 4.200 . 6.500 4.242 2.268 5.184 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
986 1 1 LYS QD 1 86 SER QB 4.200 . 6.500 3.583 1.601 5.202 0.199 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
987 1 91 SER HA 1 92 VAL HA 4.200 . 4.500 4.635 4.586 4.656 0.156 16 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
988 1 92 VAL MG1 1 93 ASN HA 4.200 . 6.000 3.139 2.984 3.469 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
989 1 92 VAL MG1 1 95 ALA MB 2.700 . 6.000 3.341 3.166 3.595 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
990 1 92 VAL MG2 1 95 ALA MB 2.700 . 6.000 3.834 3.696 3.949 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
991 1 93 ASN HA 1 96 LYS QD 4.200 . 5.500 3.160 1.558 4.594 0.242 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
992 1 90 ALA HA 1 93 ASN HB3 4.200 . 4.500 2.701 2.149 2.991 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
993 1 90 ALA HA 1 93 ASN HB2 4.200 . 4.500 4.263 3.729 4.566 0.066 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
994 1 94 CYS HA 1 97 LYS QB 4.200 . 5.500 2.981 2.720 3.191 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
995 1 96 LYS HA 1 96 LYS QD 4.200 . 5.500 3.877 3.106 4.119 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
996 1 96 LYS QB 1 96 LYS QG 2.200 . 4.500 2.067 2.026 2.087 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
997 1 96 LYS QE 1 96 LYS QG 2.700 . 5.000 2.077 1.915 2.352 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
998 1 17 LEU QD 1 96 LYS QD 4.200 . 7.900 3.367 2.133 4.812 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
999 1 17 LEU QD 1 96 LYS QE 4.200 . 7.900 3.512 2.177 4.967 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1000 1 95 ALA HA 1 98 ILE HA 4.200 . 4.500 4.093 4.055 4.153 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1001 1 95 ALA MB 1 98 ILE HA 4.200 . 6.000 5.260 5.207 5.303 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1002 1 95 ALA HA 1 98 ILE HB 4.200 . 4.500 1.770 1.717 1.857 0.083 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1003 1 95 ALA HA 1 98 ILE MD 4.200 . 6.000 1.932 1.746 2.098 0.054 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1004 1 98 ILE MG 1 107 ALA MB 4.200 . 7.500 2.720 2.220 3.118 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1005 1 58 ILE MD 1 98 ILE MD 4.200 . 7.500 3.476 2.432 4.649 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1006 1 108 TRP QB 1 111 TRP HB3 4.200 . 5.500 3.166 2.897 3.483 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1007 1 108 TRP QB 1 111 TRP HB2 4.200 . 5.500 3.375 3.138 3.587 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1008 1 111 TRP HA 1 115 CYS QB 4.200 . 5.500 2.036 1.849 2.449 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1009 1 109 VAL QG 1 113 ASN QB 4.200 . 7.900 3.253 2.830 3.685 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1010 1 116 LYS QB 1 116 LYS QG 2.200 . 4.500 2.048 2.016 2.087 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1011 1 116 LYS QD 1 116 LYS QG 2.200 . 4.500 2.064 2.029 2.092 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1012 1 118 THR HA 1 118 THR MG 2.700 . 4.500 2.323 2.201 2.449 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1013 1 121 GLN HA 1 124 ILE MD 4.200 . 6.000 3.337 2.534 3.567 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1014 1 121 GLN HA 1 124 ILE QG 4.200 . 5.500 3.028 2.367 3.165 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1015 1 29 VAL MG1 1 123 TRP QB 4.200 . 7.000 2.720 2.461 2.893 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1016 1 29 VAL MG2 1 123 TRP QB 4.200 . 7.000 4.154 4.036 4.533 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1017 1 26 GLY QA 1 124 ILE MG 4.200 . 7.000 3.065 2.072 3.603 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1018 1 26 GLY QA 1 124 ILE MD 4.200 . 7.000 3.782 2.881 4.225 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1019 1 121 GLN QG 1 124 ILE MD 4.200 . 7.000 3.888 3.018 4.963 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1020 1 2 VAL H 1 39 ASN HA 5.200 . 5.500 4.440 4.325 4.560 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1021 1 3 PHE H 1 8 LEU QD 5.200 . 7.900 4.986 4.679 5.283 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1022 1 3 PHE H 1 38 PHE HB2 4.200 . 4.500 3.559 3.170 4.028 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1023 1 3 PHE H 1 39 ASN H 5.200 . 5.500 4.825 4.685 5.043 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1024 1 3 PHE H 1 40 THR HB 5.200 . 5.500 5.640 5.596 5.688 0.188 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1025 1 4 GLY H 1 38 PHE HB2 5.200 . 5.500 5.557 5.525 5.604 0.104 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1026 1 5 ARG H 1 38 PHE QD 4.200 . 6.900 5.025 4.253 5.369 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1027 1 3 PHE QE 1 8 LEU H 4.200 . 6.900 6.192 5.748 6.492 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1028 1 9 ALA H 1 124 ILE MG 4.200 . 6.000 4.913 4.587 5.004 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1029 1 11 ALA H 1 129 LEU QD 5.200 . 7.900 4.791 4.092 5.383 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1030 1 12 MET H 1 25 LEU QD 4.200 . 6.900 3.669 3.391 4.435 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1031 1 14 ARG H 1 25 LEU QD 4.200 . 6.900 4.660 4.136 5.174 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1032 1 12 MET HB2 1 17 LEU H 4.200 . 4.500 4.624 4.585 4.681 0.181 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1033 1 12 MET HA 1 17 LEU H 7.200 . 7.500 3.757 3.567 4.018 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1034 1 17 LEU H 1 25 LEU QD 5.200 . 7.900 4.287 2.718 5.245 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1035 1 19 ASN H 1 25 LEU QB 4.200 . 5.500 4.665 3.884 4.839 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1036 1 19 ASN H 1 28 TRP HD1 7.200 . 7.500 3.952 3.789 4.350 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1037 1 20 TYR H 1 28 TRP HZ2 4.200 . 4.500 4.311 3.506 4.610 0.110 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1038 1 19 ASN HA 1 24 SER H 4.200 . 4.500 3.377 3.127 3.736 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1039 1 27 ASN H 1 120 VAL HB 4.200 . 4.500 3.799 3.613 3.995 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1040 1 28 TRP H 1 105 MET ME 4.200 . 4.500 3.572 3.431 3.737 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1041 1 31 ALA H 1 56 LEU QD 4.200 . 6.900 4.936 4.811 5.093 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1042 1 31 ALA H 1 105 MET ME 4.200 . 4.500 3.715 3.412 3.826 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1043 1 31 ALA H 1 111 TRP HB3 5.200 . 5.500 5.605 5.585 5.621 0.121 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1044 1 31 ALA H 1 111 TRP HB2 5.200 . 5.500 3.961 3.877 4.040 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1045 1 2 VAL HA 1 39 ASN H 5.200 . 5.500 4.484 4.310 4.641 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1046 1 2 VAL MG1 1 39 ASN H 5.200 . 7.000 3.035 2.940 3.114 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1047 1 2 VAL MG2 1 39 ASN H 5.200 . 7.000 3.235 3.123 3.344 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1048 1 39 ASN H 1 55 ILE MG 5.200 . 7.000 5.737 5.409 5.950 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1049 1 39 ASN H 1 55 ILE MD 5.200 . 7.000 4.123 3.894 4.515 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1050 1 40 THR H 1 55 ILE MD 4.200 . 6.000 4.324 3.553 4.827 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1051 1 42 ALA H 1 54 GLY H 7.200 . 7.500 4.712 4.338 4.949 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1052 1 45 ARG H 1 51 THR MG 5.200 . 7.000 2.949 2.443 3.115 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1053 1 46 ASN H 1 51 THR MG 5.200 . 7.000 3.711 3.363 4.133 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1054 1 42 ALA MB 1 54 GLY H 5.200 . 7.000 3.925 3.297 4.481 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1055 1 59 ASN H 1 98 ILE MD 5.200 . 7.000 4.358 3.447 4.850 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1056 1 51 THR HB 1 60 SER H 5.200 . 5.500 3.969 3.590 4.414 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1057 1 50 SER HB3 1 61 ARG H 4.200 . 4.500 4.524 4.509 4.539 0.039 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1058 1 50 SER HB2 1 61 ARG H 4.200 . 4.500 4.476 4.294 4.517 0.017 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1059 1 58 ILE MG 1 63 TRP H 4.200 . 6.000 4.633 4.121 4.901 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1060 1 58 ILE MG 1 64 CYS H 4.200 . 6.000 3.914 2.841 4.844 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1061 1 64 CYS H 1 74 ASN HA 5.200 . 5.500 3.995 3.235 4.839 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1062 1 65 ASN H 1 78 ILE QG 5.200 . 6.500 4.473 3.783 6.008 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1063 1 65 ASN H 1 79 PRO HA 4.200 . 4.500 4.471 3.623 4.590 0.090 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1064 1 65 ASN H 1 74 ASN QD 5.200 . 6.500 3.651 2.069 5.269 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1065 1 66 ASP QB 1 80 CYS H 4.200 . 5.500 4.865 4.490 4.914 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1066 1 40 THR MG 1 86 SER H 4.200 . 6.000 4.584 3.857 4.962 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1067 1 3 PHE QE 1 88 ILE H 5.200 . 7.900 3.598 3.130 4.227 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1068 1 3 PHE HZ 1 88 ILE H 4.200 . 4.500 2.937 2.077 3.480 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1069 1 84 LEU QD 1 91 SER H 5.200 . 7.900 5.557 5.262 5.753 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1070 1 17 LEU QD 1 92 VAL H 5.200 . 7.900 4.957 4.679 5.083 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1071 1 17 LEU QD 1 95 ALA H 5.200 . 7.900 5.249 4.932 5.799 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1072 1 98 ILE H 1 108 TRP HZ2 5.200 . 5.500 5.192 4.979 5.398 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1073 1 20 TYR QE 1 99 VAL H 5.200 . 7.900 5.547 4.464 5.964 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1074 1 20 TYR QE 1 100 SER H 5.200 . 7.900 4.331 3.948 4.578 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1075 1 98 ILE MG 1 103 ASN H 5.200 . 7.000 3.967 3.117 4.611 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1076 1 99 VAL HA 1 104 GLY H 4.200 . 4.500 4.297 3.054 4.557 0.057 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1077 1 99 VAL QG 1 104 GLY H 4.200 . 6.900 3.653 2.583 4.015 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1078 1 31 ALA MB 1 111 TRP H 4.200 . 6.000 3.753 3.287 4.102 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1079 1 111 TRP HA 1 116 LYS H 4.200 . 4.500 4.071 3.711 4.399 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1080 1 6 CYS HB3 1 127 CYS H 5.200 . 5.500 5.520 5.236 5.560 0.060 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1081 1 6 CYS HB3 1 128 ARG H 4.200 . 4.500 2.762 2.195 4.510 0.010 21 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1082 1 6 CYS HB2 1 128 ARG H 5.200 . 5.500 3.637 3.280 5.540 0.040 21 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1083 1 6 CYS HB3 1 129 LEU H 5.200 . 5.500 5.245 4.724 5.515 0.015 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1084 1 1 LYS QB 1 2 VAL H 4.200 . 5.500 3.701 2.353 3.989 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1085 1 1 LYS QG 1 2 VAL H 4.200 . 5.500 3.662 2.641 4.530 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1086 1 3 PHE H 1 3 PHE QE 5.200 . 7.900 4.712 4.264 4.977 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1087 1 3 PHE H 1 4 GLY H 4.200 . 4.500 4.555 4.518 4.580 0.080 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1088 1 3 PHE HB3 1 4 GLY H 4.200 . 4.500 2.247 1.966 2.463 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1089 1 3 PHE HB2 1 4 GLY H 4.200 . 4.500 3.541 3.174 3.835 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1090 1 4 GLY H 1 5 ARG HA 5.200 . 5.500 5.339 5.180 5.531 0.031 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1091 1 4 GLY H 1 7 GLU QG 4.200 . 5.500 3.924 3.261 4.408 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1092 1 4 GLY H 1 7 GLU H 4.200 . 4.500 4.352 4.105 4.556 0.056 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1093 1 3 PHE HA 1 4 GLY H 4.200 . 4.500 2.469 2.360 2.608 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1094 1 5 ARG H 1 5 ARG QB 2.700 . 4.000 2.443 2.056 2.922 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1095 1 5 ARG H 1 5 ARG QG 4.200 . 5.500 2.707 1.589 4.018 0.211 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1096 1 4 GLY QA 1 6 CYS H 5.200 . 6.500 4.008 3.870 4.204 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1097 1 5 ARG QB 1 6 CYS H 2.700 . 4.000 2.372 2.094 3.028 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1098 1 5 ARG QG 1 6 CYS H 4.200 . 5.500 3.633 1.600 4.317 0.200 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1099 1 6 CYS H 1 9 ALA H 5.200 . 5.500 4.526 4.490 4.592 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1100 1 3 PHE QD 1 7 GLU H 5.200 . 7.900 6.573 6.041 6.965 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1101 1 4 GLY QA 1 7 GLU H 4.200 . 5.500 3.466 3.033 3.862 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1102 1 6 CYS HA 1 7 GLU H 4.200 . 4.500 3.529 3.517 3.547 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1103 1 7 GLU H 1 7 GLU QG 4.200 . 5.500 3.142 1.908 4.075 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1104 1 5 ARG HA 1 8 LEU H 5.200 . 5.500 4.416 4.288 4.473 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1105 1 7 GLU HA 1 8 LEU H 4.200 . 4.500 3.537 3.525 3.547 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1106 1 7 GLU QG 1 8 LEU H 4.200 . 5.500 4.058 3.676 4.363 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1107 1 6 CYS HB3 1 9 ALA H 4.200 . 4.500 4.716 4.686 4.735 0.235 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1108 1 6 CYS HB2 1 9 ALA H 5.200 . 5.500 5.022 4.958 5.136 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1109 1 7 GLU HA 1 9 ALA H 4.200 . 4.500 4.490 4.398 4.548 0.048 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1110 1 9 ALA H 1 12 MET H 4.200 . 4.500 4.598 4.550 4.658 0.158 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1111 1 5 ARG HA 1 9 ALA H 4.200 . 4.500 4.664 4.642 4.687 0.187 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1112 1 8 LEU HA 1 10 ALA H 5.200 . 5.500 4.749 4.665 4.836 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1113 1 9 ALA HA 1 11 ALA H 4.200 . 4.500 4.180 4.110 4.455 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1114 1 11 ALA H 1 12 MET QG 5.200 . 6.500 3.674 3.538 4.252 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1115 1 8 LEU QD 1 11 ALA H 4.200 . 6.900 4.267 3.820 4.989 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1116 1 8 LEU HA 1 12 MET H 5.200 . 5.500 4.332 4.074 4.547 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1117 1 12 MET H 1 12 MET QG 2.700 . 4.000 1.891 1.752 2.321 0.048 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1118 1 9 ALA HA 1 13 LYS H 4.200 . 4.500 4.172 3.890 4.305 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1119 1 11 ALA HA 1 13 LYS H 4.200 . 4.500 4.536 4.458 4.567 0.067 21 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1120 1 12 MET QG 1 13 LYS H 4.200 . 5.500 3.598 3.506 4.112 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1121 1 13 LYS H 1 15 HIS H 4.200 . 4.500 4.059 3.944 4.170 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1122 1 13 LYS H 1 16 GLY H 5.200 . 5.500 4.918 4.804 5.037 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1123 1 12 MET HA 1 14 ARG H 5.200 . 5.500 4.463 4.095 4.610 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1124 1 13 LYS QG 1 14 ARG H 4.200 . 5.500 4.079 3.556 4.452 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1125 1 14 ARG H 1 16 GLY H 4.200 . 4.500 3.962 3.873 4.072 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1126 1 14 ARG H 1 15 HIS HB2 4.200 . 4.500 4.563 4.529 4.630 0.130 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1127 1 12 MET HA 1 15 HIS H 4.200 . 4.500 3.267 2.849 3.416 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1128 1 13 LYS HA 1 15 HIS H 4.200 . 4.500 4.383 4.242 4.474 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1129 1 14 ARG HA 1 15 HIS H 4.200 . 4.500 3.541 3.515 3.555 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1130 1 14 ARG QB 1 15 HIS H 4.200 . 5.500 2.682 2.526 2.839 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1131 1 15 HIS H 1 17 LEU QD 7.200 . 9.900 4.019 3.754 4.190 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1132 1 15 HIS HA 1 16 GLY H 4.200 . 4.500 3.365 3.318 3.412 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1133 1 16 GLY H 1 18 ASP H 4.200 . 4.500 3.937 3.782 4.050 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1134 1 16 GLY H 1 17 LEU HG 4.200 . 4.500 4.575 4.531 4.617 0.117 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1135 1 15 HIS HB3 1 16 GLY H 4.200 . 4.500 4.071 4.011 4.175 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1136 1 15 HIS HB2 1 16 GLY H 4.200 . 4.500 3.607 3.443 3.675 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1137 1 16 GLY QA 1 17 LEU H 4.200 . 5.500 2.931 2.916 2.964 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1138 1 17 LEU H 1 18 ASP HB3 4.200 . 4.500 4.315 4.226 4.513 0.013 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1139 1 17 LEU H 1 18 ASP HB2 5.200 . 5.500 4.834 4.396 4.955 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1140 1 18 ASP H 1 19 ASN H 4.200 . 4.500 4.129 4.006 4.206 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1141 1 18 ASP H 1 20 TYR H 5.200 . 5.500 4.343 4.150 4.645 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1142 1 17 LEU QD 1 20 TYR H 4.200 . 6.900 4.891 4.797 5.008 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1143 1 19 ASN HA 1 20 TYR H 2.700 . 3.000 2.792 2.746 2.837 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1144 1 19 ASN QB 1 20 TYR H 4.200 . 5.500 3.831 3.791 3.870 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1145 1 20 TYR H 1 23 TYR HA 4.200 . 4.500 4.702 4.625 4.740 0.240 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1146 1 20 TYR HB3 1 21 ARG H 4.200 . 4.500 3.609 3.274 4.132 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1147 1 20 TYR HB2 1 21 ARG H 4.200 . 4.500 3.985 3.763 4.387 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1148 1 19 ASN HA 1 22 GLY H 5.200 . 5.500 5.266 4.032 5.721 0.221 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1149 1 20 TYR HA 1 22 GLY H 4.200 . 4.500 3.929 3.187 4.273 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1150 1 20 TYR H 1 22 GLY H 5.200 . 5.500 4.225 3.950 4.386 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1151 1 21 ARG QB 1 22 GLY H 4.200 . 5.500 2.942 2.577 3.638 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1152 1 19 ASN HA 1 23 TYR H 4.200 . 4.500 4.269 3.385 4.660 0.160 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1153 1 20 TYR H 1 23 TYR H 5.200 . 5.500 3.810 3.011 4.188 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1154 1 22 GLY QA 1 23 TYR H 4.200 . 5.500 2.389 2.126 2.990 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1155 1 21 ARG QB 1 23 TYR H 5.200 . 6.500 5.140 3.576 5.841 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1156 1 23 TYR HB3 1 24 SER H 4.200 . 4.500 2.324 1.912 3.381 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1157 1 23 TYR HB2 1 24 SER H 4.200 . 4.500 3.648 3.319 4.388 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1158 1 24 SER H 1 24 SER HB3 2.700 . 3.000 2.562 2.447 2.661 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1159 1 24 SER H 1 24 SER HB2 4.200 . 4.500 3.606 3.576 3.628 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1160 1 24 SER H 1 25 LEU H 4.200 . 4.500 4.554 4.529 4.595 0.095 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1161 1 24 SER H 1 27 ASN HB3 5.200 . 5.500 4.841 4.545 5.010 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1162 1 24 SER H 1 27 ASN HB2 5.200 . 5.500 3.652 3.237 3.923 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1163 1 24 SER H 1 27 ASN QD 4.200 . 5.500 2.743 1.677 4.427 0.123 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1164 1 24 SER H 1 27 ASN H 5.200 . 5.500 4.090 3.945 4.220 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1165 1 24 SER HA 1 25 LEU H 2.700 . 3.000 2.352 2.287 2.411 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1166 1 26 GLY H 1 27 ASN QD 5.200 . 6.500 4.760 3.634 5.850 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1167 1 26 GLY H 1 28 TRP HD1 5.200 . 5.500 4.581 4.064 4.721 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1168 1 25 LEU HA 1 27 ASN H 4.200 . 4.500 4.229 4.099 4.310 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1169 1 26 GLY QA 1 27 ASN H 4.200 . 5.500 2.745 2.729 2.767 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1170 1 27 ASN H 1 27 ASN QD 4.200 . 5.500 2.731 1.529 3.657 0.271 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1171 1 27 ASN H 1 29 VAL H 4.200 . 4.500 4.160 3.868 4.257 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1172 1 27 ASN H 1 28 TRP HD1 4.200 . 4.500 3.825 3.525 3.973 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1173 1 25 LEU HA 1 28 TRP H 4.200 . 4.500 3.395 3.160 3.519 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1174 1 27 ASN HB3 1 28 TRP H 4.200 . 4.500 3.868 3.641 3.978 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1175 1 28 TRP H 1 29 VAL HB 5.200 . 5.500 4.762 4.552 4.855 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1176 1 28 TRP H 1 29 VAL MG2 4.200 . 6.000 4.021 3.836 4.150 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1177 1 28 TRP H 1 30 CYS H 5.200 . 5.500 4.217 4.133 4.301 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1178 1 28 TRP HA 1 29 VAL H 4.200 . 4.500 3.548 3.490 3.570 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1179 1 29 VAL H 1 30 CYS HB3 5.200 . 5.500 4.988 4.788 5.136 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1180 1 29 VAL H 1 30 CYS HB2 5.200 . 5.500 4.829 4.615 5.118 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1181 1 25 LEU HA 1 29 VAL H 5.200 . 5.500 4.273 3.989 4.813 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1182 1 28 TRP HD1 1 29 VAL H 5.200 . 5.500 4.403 4.248 4.504 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1183 1 30 CYS H 1 31 ALA H 2.700 . 3.000 2.795 2.752 2.834 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1184 1 27 ASN HA 1 31 ALA H 4.200 . 4.500 3.878 3.759 4.024 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1185 1 29 VAL HA 1 31 ALA H 4.200 . 4.500 4.623 4.591 4.655 0.155 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1186 1 30 CYS HA 1 31 ALA H 4.200 . 4.500 3.567 3.557 3.587 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1187 1 31 ALA H 1 33 LYS H 5.200 . 5.500 4.264 4.131 4.407 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1188 1 30 CYS HA 1 32 ALA H 5.200 . 5.500 4.660 4.570 4.740 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1189 1 29 VAL HA 1 32 ALA H 4.200 . 4.500 3.694 3.635 3.814 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1190 1 31 ALA MB 1 32 ALA H 2.200 . 4.000 2.490 2.413 2.625 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1191 1 31 ALA HA 1 33 LYS H 5.200 . 5.500 4.759 4.575 4.953 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1192 1 29 VAL HA 1 33 LYS H 4.200 . 4.500 3.637 3.407 3.839 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1193 1 33 LYS H 1 33 LYS HB3 2.700 . 3.000 2.624 2.329 2.815 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1194 1 33 LYS H 1 33 LYS HB2 2.700 . 3.000 2.413 2.242 2.732 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1195 1 33 LYS H 1 33 LYS QD 5.200 . 6.500 4.362 4.206 4.512 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1196 1 33 LYS H 1 35 GLU H 4.200 . 4.500 3.953 3.877 4.051 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1197 1 32 ALA H 1 34 PHE H 5.200 . 5.500 4.554 4.430 4.623 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1198 1 33 LYS HB3 1 34 PHE H 4.200 . 4.500 2.253 2.171 2.466 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1199 1 33 LYS HB2 1 34 PHE H 4.200 . 4.500 3.668 3.528 3.855 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1200 1 33 LYS QG 1 34 PHE H 4.200 . 5.500 3.452 2.730 3.979 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1201 1 32 ALA HA 1 35 GLU H 4.200 . 4.500 3.377 3.311 3.463 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1202 1 33 LYS HA 1 35 GLU H 5.200 . 5.500 4.317 4.165 4.528 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1203 1 34 PHE HA 1 35 GLU H 4.200 . 4.500 3.430 3.387 3.475 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1204 1 35 GLU H 1 35 GLU QG 2.700 . 4.000 3.374 3.062 3.539 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1205 1 35 GLU H 1 37 ASN H 4.200 . 4.500 3.595 3.311 3.732 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1206 1 32 ALA HA 1 36 SER H 4.200 . 4.500 3.726 3.503 3.915 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1207 1 32 ALA MB 1 36 SER H 5.200 . 7.000 4.313 4.165 4.470 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1208 1 35 GLU QB 1 36 SER H 4.200 . 5.500 2.365 2.258 2.460 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1209 1 34 PHE HA 1 36 SER H 4.200 . 4.500 4.694 4.675 4.723 0.223 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1210 1 38 PHE H 1 38 PHE QD 4.200 . 6.900 3.440 3.002 3.701 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1211 1 38 PHE HA 1 39 ASN H 4.200 . 4.500 2.989 2.966 3.027 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1212 1 39 ASN HB3 1 40 THR H 4.200 . 4.500 4.262 4.073 4.347 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1213 1 39 ASN HB2 1 40 THR H 4.200 . 4.500 4.446 4.340 4.553 0.053 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1214 1 39 ASN QD 1 40 THR H 5.200 . 6.500 4.354 2.385 5.107 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1215 1 40 THR H 1 41 GLN HA 5.200 . 5.500 5.101 4.938 5.208 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1216 1 40 THR H 1 41 GLN HB3 5.200 . 5.500 5.762 5.631 5.868 0.368 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1217 1 40 THR H 1 41 GLN HB2 4.200 . 4.500 4.242 4.112 4.355 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1218 1 40 THR HB 1 41 GLN H 4.200 . 4.500 4.251 4.073 4.352 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1219 1 40 THR MG 1 41 GLN H 4.200 . 6.000 3.519 3.276 3.656 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1220 1 41 GLN H 1 41 GLN QB 2.700 . 4.000 2.187 2.109 2.252 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1221 1 39 ASN QD 1 42 ALA H 5.200 . 6.500 3.405 1.848 4.460 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1222 1 40 THR MG 1 42 ALA H 5.200 . 7.000 4.914 4.763 5.020 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1223 1 41 GLN HA 1 42 ALA H 4.200 . 4.500 3.243 3.181 3.273 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1224 1 41 GLN QB 1 42 ALA H 4.200 . 5.500 3.440 3.396 3.492 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1225 1 42 ALA H 1 43 THR H 4.200 . 4.500 4.525 4.441 4.580 0.080 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1226 1 43 THR H 1 44 ASN H 5.200 . 5.500 4.356 4.164 4.452 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1227 1 43 THR HB 1 44 ASN H 4.200 . 4.500 3.241 2.821 3.488 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1228 1 43 THR MG 1 44 ASN H 4.200 . 6.000 4.257 4.024 4.329 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1229 1 45 ARG QB 1 46 ASN H 4.200 . 5.500 3.312 2.747 3.750 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1230 1 46 ASN H 1 46 ASN QD 4.200 . 5.500 3.255 2.323 3.987 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1231 1 46 ASN H 1 50 SER H 5.200 . 5.500 4.303 3.101 4.770 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1232 1 46 ASN QB 1 47 THR H 2.700 . 4.000 2.225 2.077 2.283 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1233 1 47 THR HA 1 48 ASP H 4.200 . 4.500 3.398 3.070 3.482 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1234 1 47 THR MG 1 48 ASP H 4.200 . 6.000 4.115 3.977 4.309 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1235 1 48 ASP H 1 50 SER H 4.200 . 4.500 4.001 3.126 4.287 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1236 1 47 THR HA 1 49 GLY H 4.200 . 4.500 3.491 3.359 3.690 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1237 1 48 ASP HA 1 49 GLY H 4.200 . 4.500 3.341 3.241 3.394 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1238 1 48 ASP HB3 1 49 GLY H 5.200 . 5.500 4.324 4.179 4.407 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1239 1 48 ASP HB2 1 49 GLY H 5.200 . 5.500 4.143 4.023 4.417 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1240 1 49 GLY QA 1 50 SER H 4.200 . 5.500 2.778 2.574 2.849 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1241 1 51 THR H 1 52 ASP HA 5.200 . 5.500 4.716 4.590 4.805 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1242 1 51 THR H 1 52 ASP H 4.200 . 4.500 4.398 4.321 4.445 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1243 1 52 ASP H 1 53 TYR QD 5.200 . 7.900 4.774 4.267 4.991 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1244 1 52 ASP H 1 53 TYR QE 5.200 . 7.900 4.992 4.787 5.255 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1245 1 51 THR MG 1 53 TYR H 5.200 . 7.000 3.998 3.570 4.264 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1246 1 52 ASP HA 1 54 GLY H 4.200 . 4.500 4.681 4.627 4.808 0.308 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1247 1 54 GLY H 1 57 GLN H 5.200 . 5.500 3.709 3.521 4.217 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1248 1 53 TYR HB2 1 54 GLY H 4.200 . 4.500 4.480 4.413 4.515 0.015 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1249 1 53 TYR QE 1 54 GLY H 5.200 . 7.900 6.658 6.452 6.795 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1250 1 53 TYR QD 1 54 GLY H 5.200 . 7.900 4.752 4.579 4.927 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1251 1 55 ILE HA 1 56 LEU H 5.200 . 5.500 3.429 3.393 3.465 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1252 1 55 ILE HB 1 56 LEU H 5.200 . 5.500 3.976 3.924 4.057 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1253 1 56 LEU H 1 57 GLN HA 4.200 . 4.500 4.308 4.207 4.404 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1254 1 56 LEU H 1 58 ILE H 5.200 . 5.500 4.133 3.984 4.316 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1255 1 57 GLN H 1 57 GLN QG 4.200 . 5.500 2.895 2.738 3.247 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1256 1 60 SER H 1 61 ARG QB 5.200 . 6.500 4.376 4.311 4.499 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1257 1 61 ARG QB 1 62 TRP H 4.200 . 5.500 3.137 2.230 3.765 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1258 1 62 TRP H 1 63 TRP H 4.200 . 4.500 1.961 1.652 2.443 0.148 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1259 1 62 TRP HA 1 63 TRP H 4.200 . 4.500 3.410 3.333 3.558 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1260 1 62 TRP QB 1 63 TRP H 4.200 . 5.500 3.149 2.516 3.419 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1261 1 63 TRP H 1 64 CYS H 4.200 . 4.500 3.183 1.841 4.515 0.015 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1262 1 64 CYS H 1 65 ASN H 5.200 . 5.500 4.476 4.284 4.615 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1263 1 67 GLY H 1 68 ARG H 2.700 . 3.000 2.808 1.845 2.973 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1264 1 67 GLY H 1 69 THR H 4.200 . 4.500 3.411 3.239 3.633 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1265 1 67 GLY QA 1 68 ARG H 4.200 . 5.500 2.904 2.876 2.922 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1266 1 68 ARG H 1 69 THR H 2.200 . 2.500 2.401 2.167 2.695 0.195 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1267 1 68 ARG QB 1 69 THR H 4.200 . 5.500 3.399 3.242 3.921 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1268 1 69 THR H 1 70 PRO QD 5.200 . 6.500 3.828 1.806 4.359 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1269 1 69 THR MG 1 71 GLY H 5.200 . 7.000 4.099 1.478 5.686 0.322 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1270 1 70 PRO QB 1 71 GLY H 4.200 . 5.500 3.383 2.281 3.967 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1271 1 69 THR MG 1 72 SER H 5.200 . 7.000 4.250 2.611 5.329 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1272 1 70 PRO QB 1 72 SER H 5.200 . 6.500 4.833 4.099 5.361 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1273 1 72 SER H 1 73 ARG H 4.200 . 4.500 4.431 4.124 4.549 0.049 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1274 1 73 ARG H 1 74 ASN H 4.200 . 4.500 2.538 1.751 2.727 0.049 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1275 1 73 ARG HA 1 74 ASN H 4.200 . 4.500 3.528 3.491 3.557 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1276 1 74 ASN H 1 75 LEU QD 5.200 . 7.900 4.771 4.654 4.917 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1277 1 74 ASN H 1 75 LEU HG 4.200 . 4.500 4.640 4.589 4.730 0.230 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1278 1 75 LEU H 1 76 CYS HA 5.200 . 5.500 5.287 5.079 5.523 0.023 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1279 1 75 LEU H 1 77 ASN H 4.200 . 4.500 3.686 3.488 3.924 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1280 1 77 ASN H 1 77 ASN HA 2.200 . 2.500 2.289 2.275 2.341 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1281 1 77 ASN H 1 78 ILE MD 4.200 . 6.000 4.806 4.772 4.851 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1282 1 77 ASN H 1 78 ILE MG 5.200 . 7.000 3.421 3.184 5.005 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1283 1 78 ILE H 1 79 PRO QD 4.200 . 5.500 4.386 4.189 4.421 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1284 1 79 PRO QB 1 80 CYS H 4.200 . 5.500 3.601 3.516 3.695 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1285 1 80 CYS H 1 80 CYS HB3 4.200 . 4.500 3.527 3.477 3.573 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1286 1 80 CYS H 1 80 CYS HB2 4.200 . 4.500 2.677 2.164 2.902 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1287 1 80 CYS H 1 82 ALA H 5.200 . 5.500 3.992 3.850 4.372 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1288 1 79 PRO HA 1 81 SER H 4.200 . 4.500 4.301 4.011 4.456 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1289 1 79 PRO QB 1 81 SER H 4.200 . 5.500 4.164 3.714 4.533 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1290 1 80 CYS HB3 1 81 SER H 4.200 . 4.500 3.459 2.869 3.666 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1291 1 80 CYS HB2 1 81 SER H 4.200 . 4.500 2.303 2.122 2.839 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1292 1 81 SER H 1 84 LEU QD 4.200 . 6.900 3.660 2.914 4.388 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1293 1 81 SER HA 1 82 ALA H 4.200 . 4.500 3.480 3.417 3.575 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1294 1 79 PRO QB 1 82 ALA H 4.200 . 5.500 2.618 2.516 3.210 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1295 1 82 ALA H 1 83 LEU QD 4.200 . 6.900 4.284 3.538 4.689 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1296 1 82 ALA H 1 84 LEU H 4.200 . 4.500 3.980 3.758 4.188 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1297 1 83 LEU H 1 85 SER H 4.200 . 4.500 4.262 3.896 4.515 0.015 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1298 1 84 LEU H 1 85 SER H 2.700 . 3.000 2.636 2.183 3.003 0.003 21 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1299 1 84 LEU QB 1 85 SER H 4.200 . 5.500 3.641 3.142 3.869 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1300 1 84 LEU QD 1 85 SER H 4.200 . 6.900 4.335 4.060 4.477 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1301 1 84 LEU HG 1 85 SER H 4.200 . 4.500 4.509 3.982 4.627 0.127 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1302 1 85 SER H 1 86 SER H 5.200 . 5.500 3.137 2.389 4.523 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1303 1 86 SER H 1 87 ASP HA 5.200 . 5.500 5.077 5.002 5.180 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1304 1 86 SER H 1 87 ASP HB3 4.200 . 4.500 4.642 4.557 4.686 0.186 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1305 1 86 SER H 1 87 ASP HB2 4.200 . 4.500 4.631 4.523 4.682 0.182 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1306 1 87 ASP HB3 1 88 ILE H 5.200 . 5.500 4.263 4.157 4.322 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1307 1 88 ILE H 1 88 ILE HB 4.200 . 4.500 3.522 3.507 3.572 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1308 1 88 ILE H 1 89 THR H 4.200 . 4.500 2.447 2.285 2.835 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1309 1 88 ILE HA 1 89 THR H 4.200 . 4.500 3.310 2.906 3.363 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1310 1 87 ASP HA 1 89 THR H 4.200 . 4.500 3.440 3.360 3.636 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1311 1 89 THR H 1 90 ALA MB 4.200 . 6.000 4.551 4.034 4.625 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1312 1 89 THR H 1 91 SER H 5.200 . 5.500 4.326 3.663 4.526 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1313 1 87 ASP HA 1 90 ALA H 5.200 . 5.500 5.549 5.395 5.630 0.130 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1314 1 91 SER H 1 93 ASN H 4.200 . 4.500 4.344 3.946 4.444 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1315 1 89 THR HA 1 91 SER H 7.200 . 7.500 4.753 4.443 4.980 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1316 1 88 ILE MD 1 92 VAL H 5.200 . 7.000 5.105 4.608 5.271 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1317 1 88 ILE QG 1 92 VAL H 5.200 . 5.500 4.215 3.973 4.306 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1318 1 92 VAL H 1 93 ASN HA 5.200 . 5.500 5.123 4.887 5.217 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1319 1 92 VAL HA 1 93 ASN H 4.200 . 4.500 3.564 3.496 3.579 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1320 1 93 ASN HA 1 94 CYS H 4.200 . 4.500 3.495 3.478 3.512 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1321 1 94 CYS H 1 95 ALA MB 4.200 . 6.000 4.404 4.275 4.487 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1322 1 92 VAL HA 1 94 CYS H 5.200 . 5.500 4.148 4.004 4.395 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1323 1 93 ASN HA 1 95 ALA H 4.200 . 4.500 4.627 4.583 4.674 0.174 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1324 1 95 ALA HA 1 96 LYS H 4.200 . 4.500 3.513 3.452 3.546 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1325 1 92 VAL HA 1 96 LYS H 5.200 . 5.500 3.608 3.408 3.710 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1326 1 94 CYS H 1 96 LYS H 4.200 . 4.500 3.933 3.752 4.068 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1327 1 96 LYS H 1 96 LYS QD 4.200 . 5.500 4.277 3.689 4.756 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1328 1 94 CYS HA 1 96 LYS H 5.200 . 5.500 4.420 4.129 4.620 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1329 1 96 LYS QG 1 97 LYS H 5.200 . 6.500 4.192 3.669 4.407 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1330 1 97 LYS H 1 97 LYS QB 2.700 . 4.000 2.224 2.111 2.452 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1331 1 93 ASN HA 1 97 LYS H 5.200 . 5.500 4.362 4.228 4.519 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1332 1 96 LYS HA 1 97 LYS H 4.200 . 4.500 3.433 3.407 3.467 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1333 1 98 ILE H 1 99 VAL HB 5.200 . 5.500 5.013 4.851 5.153 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1334 1 98 ILE H 1 99 VAL QG 5.200 . 7.900 4.052 3.733 4.331 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1335 1 98 ILE H 1 100 SER H 5.200 . 5.500 3.744 3.655 3.861 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1336 1 96 LYS HA 1 98 ILE H 5.200 . 5.500 4.324 4.165 4.482 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1337 1 98 ILE HA 1 99 VAL H 4.200 . 4.500 3.519 3.500 3.533 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1338 1 97 LYS HA 1 99 VAL H 4.200 . 4.500 4.548 4.504 4.583 0.083 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1339 1 97 LYS H 1 100 SER H 5.200 . 5.500 4.484 4.429 4.542 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1340 1 99 VAL QG 1 100 SER H 4.200 . 6.900 2.278 1.997 2.518 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1341 1 100 SER HA 1 101 ASP H 4.200 . 4.500 3.331 3.294 3.449 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1342 1 100 SER HA 1 102 GLY H 5.200 . 5.500 3.890 3.408 5.261 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1343 1 101 ASP QB 1 102 GLY H 4.200 . 5.500 3.353 3.174 3.963 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1344 1 102 GLY H 1 103 ASN HA 5.200 . 5.500 4.900 4.403 5.081 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1345 1 99 VAL QG 1 103 ASN H 4.200 . 6.900 4.514 3.199 5.037 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1346 1 102 GLY QA 1 103 ASN H 4.200 . 5.500 2.519 2.102 2.925 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1347 1 103 ASN H 1 103 ASN QD 5.200 . 6.500 3.855 2.017 4.962 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1348 1 103 ASN HA 1 104 GLY H 2.700 . 3.000 2.301 2.146 3.054 0.054 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1349 1 104 GLY H 1 106 ASN H 5.200 . 5.500 3.466 2.434 4.657 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1350 1 105 MET H 1 106 ASN HB3 5.200 . 5.500 5.683 5.635 5.743 0.243 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1351 1 105 MET H 1 106 ASN HB2 5.200 . 5.500 4.726 4.147 5.164 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1352 1 105 MET H 1 106 ASN H 2.700 . 3.000 2.419 2.306 2.593 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1353 1 105 MET H 1 107 ALA H 4.200 . 4.500 4.107 3.258 4.552 0.052 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1354 1 105 MET H 1 105 MET ME 4.200 . 4.500 3.820 3.553 3.892 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1355 1 106 ASN HB3 1 107 ALA H 4.200 . 4.500 3.812 3.263 4.194 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1356 1 106 ASN HB2 1 107 ALA H 4.200 . 4.500 2.943 2.732 3.097 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1357 1 107 ALA H 1 108 TRP HE3 4.200 . 4.500 3.704 3.215 3.918 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1358 1 107 ALA H 1 108 TRP HZ3 4.200 . 4.500 4.337 3.700 4.557 0.057 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1359 1 106 ASN HA 1 108 TRP H 4.200 . 4.500 4.202 3.409 4.412 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1360 1 108 TRP H 1 109 VAL H 4.200 . 4.500 4.487 4.275 4.552 0.052 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1361 1 108 TRP HA 1 109 VAL H 4.200 . 4.500 2.135 2.112 2.168 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1362 1 108 TRP QB 1 109 VAL H 4.200 . 5.500 3.151 2.926 3.352 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1363 1 109 VAL H 1 110 ALA MB 4.200 . 6.000 4.261 4.147 4.336 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1364 1 108 TRP HA 1 110 ALA H 4.200 . 4.500 3.875 3.731 3.958 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1365 1 108 TRP QB 1 110 ALA H 4.200 . 5.500 2.949 2.755 3.157 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1366 1 110 ALA H 1 112 ARG H 4.200 . 4.500 4.007 3.781 4.225 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1367 1 108 TRP HA 1 111 TRP H 5.200 . 5.500 4.801 4.648 4.970 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1368 1 111 TRP H 1 112 ARG QB 4.200 . 5.500 4.159 4.012 4.968 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1369 1 110 ALA HA 1 111 TRP H 4.200 . 4.500 3.435 3.382 3.479 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1370 1 110 ALA MB 1 111 TRP H 4.200 . 6.000 2.894 2.729 3.014 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1371 1 111 TRP HA 1 112 ARG H 4.200 . 4.500 3.537 3.427 3.555 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1372 1 110 ALA HA 1 112 ARG H 4.200 . 4.500 4.373 3.988 4.455 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1373 1 112 ARG H 1 112 ARG QG 4.200 . 5.500 3.304 1.476 4.002 0.324 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1374 1 110 ALA HA 1 113 ASN H 4.200 . 4.500 4.588 3.703 4.638 0.138 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1375 1 112 ARG HA 1 113 ASN H 4.200 . 4.500 2.735 2.688 3.571 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1376 1 113 ASN H 1 114 ARG HB3 5.200 . 5.500 5.611 5.579 5.733 0.233 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1377 1 113 ASN H 1 114 ARG HB2 5.200 . 5.500 4.587 4.266 4.641 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1378 1 113 ASN H 1 115 CYS H 4.200 . 4.500 2.347 2.288 3.835 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1379 1 109 VAL HA 1 113 ASN H 5.200 . 5.500 5.396 3.828 5.531 0.031 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1380 1 111 TRP HA 1 114 ARG H 5.200 . 5.500 4.173 3.985 4.395 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1381 1 114 ARG H 1 116 LYS H 4.200 . 4.500 4.157 3.997 4.360 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1382 1 114 ARG HA 1 115 CYS H 4.200 . 4.500 3.265 3.193 3.541 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1383 1 115 CYS H 1 116 LYS HB3 5.200 . 5.500 4.480 4.246 5.000 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1384 1 115 CYS H 1 116 LYS HB2 5.200 . 5.500 4.361 4.127 4.701 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1385 1 115 CYS H 1 116 LYS H 2.700 . 3.000 2.199 2.157 2.418 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1386 1 111 TRP HA 1 115 CYS H 5.200 . 5.500 3.522 2.744 3.718 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1387 1 115 CYS QB 1 116 LYS H 4.200 . 5.500 2.458 2.333 2.556 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1388 1 116 LYS H 1 116 LYS QG 4.200 . 5.500 3.912 3.788 4.032 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1389 1 113 ASN H 1 116 LYS H 5.200 . 5.500 2.839 2.542 4.359 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1390 1 116 LYS QG 1 117 GLY H 4.200 . 5.500 3.540 3.355 3.802 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1391 1 116 LYS HA 1 118 THR H 4.200 . 4.500 3.774 3.691 3.842 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1392 1 117 GLY QA 1 118 THR H 4.200 . 5.500 2.936 2.924 2.946 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1393 1 119 ASP H 1 120 VAL H 4.200 . 4.500 3.973 3.864 4.103 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1394 1 119 ASP HB3 1 120 VAL H 4.200 . 4.500 4.161 4.082 4.232 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1395 1 119 ASP HB2 1 120 VAL H 4.200 . 4.500 4.545 4.505 4.580 0.080 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1396 1 120 VAL H 1 120 VAL HB 4.200 . 4.500 3.611 3.599 3.626 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1397 1 120 VAL H 1 122 ALA H 4.200 . 4.500 3.903 3.852 3.943 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1398 1 120 VAL H 1 123 TRP H 4.200 . 4.500 4.648 4.635 4.658 0.158 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1399 1 121 GLN H 1 121 GLN QG 4.200 . 5.500 3.312 1.913 4.055 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1400 1 119 ASP HA 1 122 ALA H 5.200 . 5.500 4.204 4.033 4.350 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1401 1 121 GLN QB 1 122 ALA H 4.200 . 5.500 2.947 2.873 3.025 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1402 1 121 GLN QG 1 122 ALA H 4.200 . 5.500 4.389 3.967 4.667 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1403 1 123 TRP H 1 124 ILE MD 5.200 . 7.000 5.294 4.940 5.416 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1404 1 123 TRP H 1 124 ILE MG 5.200 . 7.000 4.615 4.409 4.862 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1405 1 123 TRP H 1 125 ARG QB 5.200 . 6.500 4.530 4.408 5.124 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1406 1 121 GLN HA 1 124 ILE H 4.200 . 4.500 4.091 3.687 4.248 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1407 1 122 ALA HA 1 124 ILE H 4.200 . 4.500 3.497 3.433 3.727 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1408 1 123 TRP HA 1 124 ILE H 4.200 . 4.500 3.405 3.389 3.418 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1409 1 124 ILE H 1 125 ARG QB 4.200 . 5.500 3.658 3.587 4.088 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1410 1 122 ALA HA 1 125 ARG H 4.200 . 4.500 2.959 2.859 3.604 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1411 1 124 ILE HA 1 125 ARG H 4.200 . 4.500 3.116 2.938 3.231 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1412 1 124 ILE MD 1 125 ARG H 4.200 . 6.000 4.366 3.754 4.726 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1413 1 124 ILE HB 1 125 ARG H 4.200 . 4.500 4.299 4.237 4.369 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1414 1 123 TRP HB3 1 125 ARG H 5.200 . 5.500 5.333 5.202 5.443 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1415 1 123 TRP HB2 1 125 ARG H 5.200 . 5.500 5.146 5.024 5.413 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1416 1 126 GLY H 1 127 CYS HB2 5.200 . 5.500 3.929 3.670 4.589 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1417 1 126 GLY H 1 127 CYS HB3 5.200 . 5.500 5.373 5.227 5.518 0.018 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1418 1 124 ILE HA 1 127 CYS H 4.200 . 4.500 3.910 3.711 4.548 0.048 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1419 1 124 ILE HB 1 127 CYS H 5.200 . 5.500 3.856 3.375 4.195 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1420 1 126 GLY QA 1 127 CYS H 4.200 . 5.500 2.916 2.774 2.934 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1421 1 127 CYS H 1 129 LEU QD 4.200 . 6.900 4.378 3.946 5.027 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1422 1 128 ARG H 1 129 LEU QD 5.200 . 7.900 3.294 2.077 4.196 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1423 1 127 CYS HB2 1 129 LEU H 5.200 . 5.500 4.857 3.864 5.505 0.005 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1424 1 127 CYS HB3 1 129 LEU H 5.200 . 5.500 4.067 3.691 4.524 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1425 1 128 ARG QB 1 129 LEU H 4.200 . 5.500 3.869 3.588 4.023 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 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 60
_Distance_constraint_stats_list.Viol_count 673
_Distance_constraint_stats_list.Viol_total 1965.235
_Distance_constraint_stats_list.Viol_max 0.278
_Distance_constraint_stats_list.Viol_rms 0.0387
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0131
_Distance_constraint_stats_list.Viol_average_violations_only 0.0584
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 6 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 7 GLU 4.557 0.123 20 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 8 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 9 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 10 ALA 0.371 0.033 45 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 11 ALA 4.557 0.123 20 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 12 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 13 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 14 ARG 0.371 0.033 45 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 15 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 25 LEU 0.163 0.071 23 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 26 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 27 ASN 0.076 0.025 48 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 28 TRP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 29 VAL 0.163 0.071 23 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 30 CYS 2.291 0.063 30 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 31 ALA 0.419 0.027 33 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 32 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 33 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 34 PHE 2.291 0.063 30 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 35 GLU 0.343 0.027 33 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 36 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 37 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 42 ALA 1.979 0.092 44 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 44 ASN 0.230 0.026 6 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 46 ASN 0.014 0.007 35 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 50 SER 0.014 0.007 35 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 52 ASP 0.230 0.026 6 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 53 TYR 14.366 0.278 33 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 54 GLY 1.979 0.092 44 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 58 ILE 14.366 0.278 33 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 89 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 90 ALA 1.051 0.054 16 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 91 SER 2.695 0.073 33 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 92 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 93 ASN 4.302 0.117 37 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 94 CYS 1.051 0.054 16 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 95 ALA 2.695 0.073 33 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 96 LYS 5.835 0.145 3 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 97 LYS 5.335 0.117 37 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 98 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 99 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 100 SER 5.835 0.145 3 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 101 ASP 1.033 0.053 25 0 "[ . 1 . 2 . 3 . 4 . 5]"
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 CYS O 1 10 ALA H 1.800 . 2.300 1.665 1.625 1.713 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
2 1 6 CYS O 1 10 ALA N 2.800 2.300 3.300 2.621 2.584 2.672 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
3 1 7 GLU O 1 11 ALA H 1.800 . 2.300 2.390 2.342 2.423 0.123 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
4 1 7 GLU O 1 11 ALA N 2.800 2.300 3.300 3.288 3.235 3.309 0.009 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
5 1 8 LEU O 1 12 MET H 1.800 . 2.300 2.057 1.837 2.295 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
6 1 8 LEU O 1 12 MET N 2.800 2.300 3.300 2.893 2.727 3.078 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
7 1 9 ALA O 1 13 LYS H 1.800 . 2.300 1.976 1.770 2.134 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
8 1 9 ALA O 1 13 LYS N 2.800 2.300 3.300 2.915 2.693 3.067 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
9 1 10 ALA O 1 14 ARG H 1.800 . 2.300 2.291 2.115 2.333 0.033 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
10 1 10 ALA O 1 14 ARG N 2.800 2.300 3.300 3.240 3.073 3.284 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
11 1 11 ALA O 1 15 HIS H 1.800 . 2.300 1.950 1.820 2.185 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
12 1 11 ALA O 1 15 HIS N 2.800 2.300 3.300 2.833 2.714 3.012 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
13 1 25 LEU O 1 29 VAL H 1.800 . 2.300 2.059 1.917 2.371 0.071 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
14 1 25 LEU O 1 29 VAL N 2.800 2.300 3.300 2.979 2.770 3.194 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
15 1 26 GLY O 1 30 CYS H 1.800 . 2.300 2.070 1.908 2.217 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
16 1 26 GLY O 1 30 CYS N 2.800 2.300 3.300 3.028 2.870 3.155 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
17 1 27 ASN O 1 31 ALA H 1.800 . 2.300 2.190 2.034 2.325 0.025 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
18 1 27 ASN O 1 31 ALA N 2.800 2.300 3.300 3.109 2.952 3.239 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
19 1 28 TRP O 1 32 ALA H 1.800 . 2.300 2.047 1.893 2.197 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
20 1 28 TRP O 1 32 ALA N 2.800 2.300 3.300 2.970 2.845 3.107 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
21 1 29 VAL O 1 33 LYS H 1.800 . 2.300 1.773 1.708 1.845 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
22 1 29 VAL O 1 33 LYS N 2.800 2.300 3.300 2.713 2.653 2.769 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
23 1 30 CYS O 1 34 PHE H 1.800 . 2.300 2.327 2.189 2.363 0.063 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
24 1 30 CYS O 1 34 PHE N 2.800 2.300 3.300 3.306 3.168 3.342 0.042 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
25 1 31 ALA O 1 35 GLU H 1.800 . 2.300 2.259 2.089 2.327 0.027 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
26 1 31 ALA O 1 35 GLU N 2.800 2.300 3.300 2.994 2.924 3.058 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
27 1 32 ALA O 1 36 SER H 1.800 . 2.300 2.010 1.861 2.222 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
28 1 32 ALA O 1 36 SER N 2.800 2.300 3.300 2.981 2.835 3.191 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
29 1 33 LYS O 1 37 ASN H 1.800 . 2.300 2.047 1.946 2.217 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
30 1 33 LYS O 1 37 ASN N 2.800 2.300 3.300 2.670 2.608 2.784 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
31 1 89 THR O 1 93 ASN H 1.800 . 2.300 1.849 1.656 2.034 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
32 1 89 THR O 1 93 ASN N 2.800 2.300 3.300 2.788 2.559 2.851 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
33 1 90 ALA O 1 94 CYS H 1.800 . 2.300 2.282 1.893 2.354 0.054 16 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
34 1 90 ALA O 1 94 CYS N 2.800 2.300 3.300 3.216 2.859 3.297 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
35 1 91 SER O 1 95 ALA H 1.800 . 2.300 2.353 2.317 2.373 0.073 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
36 1 91 SER O 1 95 ALA N 2.800 2.300 3.300 3.285 3.227 3.314 0.014 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
37 1 92 VAL O 1 96 LYS H 1.800 . 2.300 1.550 1.510 1.666 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
38 1 92 VAL O 1 96 LYS N 2.800 2.300 3.300 2.481 2.381 2.518 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
39 1 93 ASN O 1 97 LYS H 1.800 . 2.300 2.386 2.361 2.417 0.117 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
40 1 93 ASN O 1 97 LYS N 2.800 2.300 3.300 3.199 3.159 3.291 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
41 1 94 CYS O 1 98 ILE H 1.800 . 2.300 2.018 1.930 2.184 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
42 1 94 CYS O 1 98 ILE N 2.800 2.300 3.300 2.779 2.689 2.954 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
43 1 95 ALA O 1 99 VAL H 1.800 . 2.300 1.656 1.612 1.738 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
44 1 95 ALA O 1 99 VAL N 2.800 2.300 3.300 2.614 2.575 2.695 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
45 1 96 LYS O 1 100 SER H 1.800 . 2.300 2.417 2.383 2.445 0.145 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
46 1 96 LYS O 1 100 SER N 2.800 2.300 3.300 3.100 3.041 3.159 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
47 1 97 LYS O 1 101 ASP H 1.800 . 2.300 2.312 2.054 2.353 0.053 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
48 1 97 LYS O 1 101 ASP N 2.800 2.300 3.300 2.813 2.753 2.964 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
49 1 42 ALA O 1 54 GLY H 1.800 . 2.300 2.326 2.076 2.392 0.092 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
50 1 42 ALA O 1 54 GLY N 2.800 2.300 3.300 3.049 2.785 3.201 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
51 1 44 ASN H 1 52 ASP O 1.800 . 2.300 2.252 2.057 2.326 0.026 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
52 1 44 ASN N 1 52 ASP O 2.800 2.300 3.300 3.029 2.775 3.210 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
53 1 44 ASN O 1 52 ASP H 1.800 . 2.300 2.042 1.862 2.164 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
54 1 44 ASN O 1 52 ASP N 2.800 2.300 3.300 2.833 2.599 3.021 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
55 1 46 ASN H 1 50 SER O 1.800 . 2.300 2.082 1.843 2.307 0.007 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
56 1 46 ASN N 1 50 SER O 2.800 2.300 3.300 3.033 2.755 3.285 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
57 1 53 TYR H 1 58 ILE O 1.800 . 2.300 2.298 2.070 2.369 0.069 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
58 1 53 TYR N 1 58 ILE O 2.800 2.300 3.300 3.126 2.967 3.179 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
59 1 53 TYR O 1 58 ILE H 1.800 . 2.300 2.544 2.471 2.578 0.278 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
60 1 53 TYR O 1 58 ILE N 2.800 2.300 3.300 3.318 3.302 3.337 0.037 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
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