NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
562111 |
2m48   |
18990 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m48
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 18
_Distance_constraint_stats_list.Viol_count 283
_Distance_constraint_stats_list.Viol_total 565.572
_Distance_constraint_stats_list.Viol_max 0.265
_Distance_constraint_stats_list.Viol_rms 0.0667
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0786
_Distance_constraint_stats_list.Viol_average_violations_only 0.0999
_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 12 CYS 2.934 0.217 17 0 "[ . 1 . 2]"
1 17 CYS 5.418 0.265 18 0 "[ . 1 . 2]"
1 32 CYS 3.502 0.217 17 0 "[ . 1 . 2]"
1 36 CYS 4.374 0.265 18 0 "[ . 1 . 2]"
1 41 CYS 3.799 0.238 17 0 "[ . 1 . 2]"
1 44 CYS 4.175 0.253 10 0 "[ . 1 . 2]"
1 53 CYS 2.680 0.253 10 0 "[ . 1 . 2]"
1 95 CYS 6.654 0.258 2 0 "[ . 1 . 2]"
1 98 CYS 8.513 0.258 2 0 "[ . 1 . 2]"
1 113 CYS 5.166 0.219 12 0 "[ . 1 . 2]"
1 118 CYS 4.628 0.217 16 0 "[ . 1 . 2]"
1 123 CYS 1.796 0.223 20 0 "[ . 1 . 2]"
1 126 CYS 1.783 0.223 20 0 "[ . 1 . 2]"
1 134 CYS 1.136 0.118 17 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 12 CYS SG 1 17 CYS SG 3.960 3.770 4.150 3.715 3.656 3.760 0.114 5 0 "[ . 1 . 2]" 1
2 1 12 CYS SG 1 32 CYS SG 3.960 3.770 4.150 3.751 3.553 3.905 0.217 17 0 "[ . 1 . 2]" 1
3 1 12 CYS SG 1 36 CYS SG 3.960 3.770 4.150 3.751 3.635 3.941 0.135 20 0 "[ . 1 . 2]" 1
4 1 17 CYS SG 1 32 CYS SG 3.960 3.770 4.150 3.687 3.596 3.811 0.174 20 0 "[ . 1 . 2]" 1
5 1 17 CYS SG 1 36 CYS SG 3.960 3.770 4.150 3.655 3.505 3.987 0.265 18 0 "[ . 1 . 2]" 1
6 1 32 CYS SG 1 36 CYS SG 3.960 3.770 4.150 3.837 3.640 4.213 0.130 18 0 "[ . 1 . 2]" 1
7 1 41 CYS SG 1 44 CYS SG 3.960 3.770 4.150 3.662 3.556 3.983 0.214 20 0 "[ . 1 . 2]" 1
8 1 41 CYS SG 1 53 CYS SG 3.960 3.770 4.150 3.755 3.532 4.022 0.238 17 0 "[ . 1 . 2]" 1
9 1 44 CYS SG 1 53 CYS SG 3.960 3.770 4.150 3.707 3.517 3.933 0.253 10 0 "[ . 1 . 2]" 1
10 1 95 CYS SG 1 98 CYS SG 3.960 3.770 4.150 3.590 3.512 3.682 0.258 2 0 "[ . 1 . 2]" 1
11 1 95 CYS SG 1 113 CYS SG 3.960 3.770 4.150 3.673 3.605 3.728 0.165 17 0 "[ . 1 . 2]" 1
12 1 95 CYS SG 1 118 CYS SG 3.960 3.770 4.150 3.739 3.623 3.979 0.147 14 0 "[ . 1 . 2]" 1
13 1 98 CYS SG 1 113 CYS SG 3.960 3.770 4.150 3.654 3.551 3.747 0.219 12 0 "[ . 1 . 2]" 1
14 1 98 CYS SG 1 118 CYS SG 3.960 3.770 4.150 3.640 3.553 3.718 0.217 16 0 "[ . 1 . 2]" 1
15 1 113 CYS SG 1 118 CYS SG 3.960 3.770 4.150 3.738 3.663 3.885 0.107 8 0 "[ . 1 . 2]" 1
16 1 123 CYS SG 1 126 CYS SG 3.960 3.770 4.150 3.758 3.547 3.982 0.223 20 0 "[ . 1 . 2]" 1
17 1 123 CYS SG 1 134 CYS SG 3.960 3.770 4.150 3.798 3.658 4.046 0.112 2 0 "[ . 1 . 2]" 1
18 1 126 CYS SG 1 134 CYS SG 3.960 3.770 4.150 3.822 3.652 4.126 0.118 17 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 1122
_Distance_constraint_stats_list.Viol_count 1871
_Distance_constraint_stats_list.Viol_total 3271.667
_Distance_constraint_stats_list.Viol_max 0.704
_Distance_constraint_stats_list.Viol_rms 0.0346
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0073
_Distance_constraint_stats_list.Viol_average_violations_only 0.0874
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 GLU 0.024 0.024 15 0 "[ . 1 . 2]"
1 3 TYR 1.178 0.359 10 0 "[ . 1 . 2]"
1 4 VAL 0.985 0.163 4 0 "[ . 1 . 2]"
1 5 LEU 8.227 0.426 12 0 "[ . 1 . 2]"
1 6 GLN 3.405 0.426 12 0 "[ . 1 . 2]"
1 7 ALA 0.309 0.131 9 0 "[ . 1 . 2]"
1 9 GLY 0.745 0.149 19 0 "[ . 1 . 2]"
1 10 VAL 2.607 0.186 9 0 "[ . 1 . 2]"
1 11 LEU 9.513 0.359 9 0 "[ . 1 . 2]"
1 12 CYS 4.165 0.269 15 0 "[ . 1 . 2]"
1 13 PRO 2.067 0.194 7 0 "[ . 1 . 2]"
1 14 GLN 0.655 0.138 6 0 "[ . 1 . 2]"
1 15 PRO 0.064 0.046 1 0 "[ . 1 . 2]"
1 17 CYS 3.207 0.207 9 0 "[ . 1 . 2]"
1 18 GLY 0.048 0.048 11 0 "[ . 1 . 2]"
1 19 MET 6.414 0.581 9 1 "[ . +1 . 2]"
1 20 GLY 3.104 0.581 9 1 "[ . +1 . 2]"
1 21 LEU 11.274 0.358 13 0 "[ . 1 . 2]"
1 22 LEU 7.604 0.358 13 0 "[ . 1 . 2]"
1 23 VAL 3.281 0.293 15 0 "[ . 1 . 2]"
1 24 GLU 1.115 0.293 15 0 "[ . 1 . 2]"
1 25 PRO 0.157 0.067 3 0 "[ . 1 . 2]"
1 26 ASP 0.041 0.041 17 0 "[ . 1 . 2]"
1 27 CYS 2.107 0.266 12 0 "[ . 1 . 2]"
1 28 ARG 0.620 0.138 3 0 "[ . 1 . 2]"
1 29 LYS 5.014 0.313 4 0 "[ . 1 . 2]"
1 30 VAL 15.777 0.704 17 2 "[ . 1 . +- 2]"
1 31 THR 6.669 0.704 17 2 "[ . 1 . +- 2]"
1 32 CYS 3.930 0.321 7 0 "[ . 1 . 2]"
1 33 GLN 2.797 0.172 13 0 "[ . 1 . 2]"
1 34 ASN 0.450 0.121 16 0 "[ . 1 . 2]"
1 35 GLY 2.360 0.256 8 0 "[ . 1 . 2]"
1 36 CYS 0.166 0.078 14 0 "[ . 1 . 2]"
1 37 GLY 2.555 0.321 7 0 "[ . 1 . 2]"
1 38 TYR 1.001 0.314 1 0 "[ . 1 . 2]"
1 39 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 PHE 11.454 0.451 12 0 "[ . 1 . 2]"
1 41 CYS 3.275 0.146 10 0 "[ . 1 . 2]"
1 42 ARG 3.997 0.160 16 0 "[ . 1 . 2]"
1 43 ASN 5.969 0.277 7 0 "[ . 1 . 2]"
1 44 CYS 10.869 0.383 10 0 "[ . 1 . 2]"
1 45 LEU 7.459 0.332 13 0 "[ . 1 . 2]"
1 46 GLN 0.571 0.121 8 0 "[ . 1 . 2]"
1 47 GLY 1.714 0.146 10 0 "[ . 1 . 2]"
1 48 TYR 3.821 0.222 18 0 "[ . 1 . 2]"
1 49 HIS 0.055 0.028 8 0 "[ . 1 . 2]"
1 50 ILE 1.328 0.198 9 0 "[ . 1 . 2]"
1 51 GLY 0.068 0.068 8 0 "[ . 1 . 2]"
1 52 GLU 2.919 0.426 8 0 "[ . 1 . 2]"
1 53 CYS 7.392 0.426 8 0 "[ . 1 . 2]"
1 54 LEU 4.597 0.332 20 0 "[ . 1 . 2]"
1 55 PRO 3.233 0.361 18 0 "[ . 1 . 2]"
1 56 GLU 2.153 0.361 18 0 "[ . 1 . 2]"
1 68 TYR 0.522 0.323 16 0 "[ . 1 . 2]"
1 69 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 VAL 1.143 0.323 16 0 "[ . 1 . 2]"
1 71 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ARG 0.049 0.049 9 0 "[ . 1 . 2]"
1 75 ALA 0.049 0.049 9 0 "[ . 1 . 2]"
1 76 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 GLU 0.135 0.083 7 0 "[ . 1 . 2]"
1 78 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ARG 0.034 0.034 20 0 "[ . 1 . 2]"
1 80 TRP 1.179 0.148 1 0 "[ . 1 . 2]"
1 81 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 GLU 0.772 0.460 19 0 "[ . 1 . 2]"
1 83 ALA 0.772 0.460 19 0 "[ . 1 . 2]"
1 85 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 VAL 0.043 0.041 3 0 "[ . 1 . 2]"
1 87 THR 0.098 0.075 9 0 "[ . 1 . 2]"
1 88 ILE 1.690 0.227 9 0 "[ . 1 . 2]"
1 89 LYS 0.422 0.124 18 0 "[ . 1 . 2]"
1 90 VAL 1.642 0.194 10 0 "[ . 1 . 2]"
1 91 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 THR 4.115 0.207 2 0 "[ . 1 . 2]"
1 93 LYS 1.239 0.149 2 0 "[ . 1 . 2]"
1 94 PRO 0.744 0.087 10 0 "[ . 1 . 2]"
1 95 CYS 2.437 0.219 2 0 "[ . 1 . 2]"
1 96 PRO 0.594 0.108 17 0 "[ . 1 . 2]"
1 97 LYS 1.530 0.244 11 0 "[ . 1 . 2]"
1 98 CYS 1.422 0.206 9 0 "[ . 1 . 2]"
1 99 ARG 3.812 0.293 14 0 "[ . 1 . 2]"
1 100 THR 5.295 0.219 2 0 "[ . 1 . 2]"
1 101 PRO 1.565 0.101 7 0 "[ . 1 . 2]"
1 102 THR 3.706 0.155 17 0 "[ . 1 . 2]"
1 103 GLU 0.936 0.161 6 0 "[ . 1 . 2]"
1 104 ARG 3.448 0.308 16 0 "[ . 1 . 2]"
1 105 ASP 0.575 0.132 19 0 "[ . 1 . 2]"
1 108 CYS 0.530 0.106 15 0 "[ . 1 . 2]"
1 109 MET 3.323 0.272 14 0 "[ . 1 . 2]"
1 110 HIS 1.491 0.206 14 0 "[ . 1 . 2]"
1 111 MET 8.085 0.431 19 0 "[ . 1 . 2]"
1 112 VAL 6.172 0.242 16 0 "[ . 1 . 2]"
1 113 CYS 2.090 0.158 4 0 "[ . 1 . 2]"
1 114 THR 0.116 0.024 14 0 "[ . 1 . 2]"
1 115 ARG 4.055 0.281 11 0 "[ . 1 . 2]"
1 116 ALA 0.069 0.069 15 0 "[ . 1 . 2]"
1 118 CYS 2.823 0.541 20 1 "[ . 1 . +]"
1 119 GLY 0.566 0.541 20 1 "[ . 1 . +]"
1 120 PHE 0.988 0.142 3 0 "[ . 1 . 2]"
1 121 GLU 3.281 0.261 10 0 "[ . 1 . 2]"
1 122 TRP 2.427 0.325 19 0 "[ . 1 . 2]"
1 123 CYS 2.121 0.241 12 0 "[ . 1 . 2]"
1 124 TRP 8.132 0.309 4 0 "[ . 1 . 2]"
1 125 VAL 7.151 0.309 4 0 "[ . 1 . 2]"
1 126 CYS 0.049 0.027 13 0 "[ . 1 . 2]"
1 128 THR 0.123 0.044 16 0 "[ . 1 . 2]"
1 129 GLU 4.158 0.384 5 0 "[ . 1 . 2]"
1 130 TRP 2.287 0.325 19 0 "[ . 1 . 2]"
1 131 THR 0.181 0.101 19 0 "[ . 1 . 2]"
1 132 ARG 3.561 0.348 20 0 "[ . 1 . 2]"
1 133 ASP 0.214 0.101 19 0 "[ . 1 . 2]"
1 134 CYS 0.252 0.138 10 0 "[ . 1 . 2]"
1 135 MET 3.466 0.348 20 0 "[ . 1 . 2]"
1 137 ALA 0.138 0.138 10 0 "[ . 1 . 2]"
1 138 HIS 0.734 0.121 2 0 "[ . 1 . 2]"
1 139 TRP 2.688 0.241 12 0 "[ . 1 . 2]"
1 141 GLY 0.883 0.244 11 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 LEU HA 1 6 GLN H 3.390 . 3.390 2.404 2.002 3.270 . 0 0 "[ . 1 . 2]" 2
2 1 4 VAL H 1 4 VAL MG1 4.060 . 4.060 3.013 1.903 3.866 . 0 0 "[ . 1 . 2]" 2
3 1 4 VAL H 1 4 VAL HB 3.300 . 3.300 2.805 2.489 3.363 0.063 2 0 "[ . 1 . 2]" 2
4 1 3 TYR HA 1 4 VAL H 2.970 . 2.970 2.285 2.103 3.040 0.070 4 0 "[ . 1 . 2]" 2
5 1 78 ALA H 1 78 ALA MB 3.390 . 3.390 2.666 2.240 2.869 . 0 0 "[ . 1 . 2]" 2
6 1 4 VAL HB 1 5 LEU H 4.440 . 4.440 3.989 2.393 4.500 0.060 4 0 "[ . 1 . 2]" 2
7 1 4 VAL HA 1 5 LEU H 3.520 . 3.520 2.462 2.093 3.570 0.050 10 0 "[ . 1 . 2]" 2
8 1 77 GLU HA 1 78 ALA H 3.300 . 3.300 2.349 2.106 2.670 . 0 0 "[ . 1 . 2]" 2
9 1 83 ALA H 1 83 ALA MB 3.470 . 3.470 2.638 2.224 2.927 . 0 0 "[ . 1 . 2]" 2
10 1 10 VAL H 1 10 VAL QG 3.280 . 3.280 2.282 2.000 2.829 . 0 0 "[ . 1 . 2]" 2
11 1 114 THR H 1 114 THR MG 3.370 . 3.370 2.437 1.808 3.049 . 0 0 "[ . 1 . 2]" 2
12 1 10 VAL H 1 21 LEU HB2 4.330 . 4.330 3.529 3.176 4.320 . 0 0 "[ . 1 . 2]" 2
13 1 10 VAL H 1 10 VAL HB 3.560 . 3.560 3.032 2.504 3.746 0.186 9 0 "[ . 1 . 2]" 2
14 1 9 GLY HA3 1 10 VAL H 3.170 . 3.170 2.563 2.202 3.319 0.149 19 0 "[ . 1 . 2]" 2
15 1 9 GLY HA2 1 10 VAL H 3.170 . 3.170 2.572 2.105 2.931 . 0 0 "[ . 1 . 2]" 2
16 1 113 CYS HA 1 114 THR H 3.100 . 3.100 2.165 2.106 2.215 . 0 0 "[ . 1 . 2]" 2
17 1 11 LEU H 1 11 LEU QD 4.060 . 4.060 2.974 2.503 3.577 . 0 0 "[ . 1 . 2]" 2
18 1 10 VAL QG 1 11 LEU H 3.140 . 3.140 1.872 1.602 2.860 . 0 0 "[ . 1 . 2]" 2
19 1 11 LEU H 1 11 LEU HB3 3.840 . 3.840 3.724 3.548 3.833 . 0 0 "[ . 1 . 2]" 2
20 1 11 LEU H 1 11 LEU HB2 3.840 . 3.840 2.664 2.427 3.762 . 0 0 "[ . 1 . 2]" 2
21 1 12 CYS H 1 12 CYS HB3 3.250 . 3.250 2.546 2.414 2.647 . 0 0 "[ . 1 . 2]" 2
22 1 12 CYS H 1 12 CYS HB2 3.240 . 3.240 2.434 2.248 2.597 . 0 0 "[ . 1 . 2]" 2
23 1 11 LEU HA 1 12 CYS H 3.040 . 3.040 2.236 2.196 2.285 . 0 0 "[ . 1 . 2]" 2
24 1 12 CYS H 1 20 GLY HA2 4.330 . 4.330 4.071 3.775 4.417 0.087 18 0 "[ . 1 . 2]" 2
25 1 12 CYS H 1 17 CYS HB3 4.570 . 4.570 4.425 3.953 4.637 0.067 15 0 "[ . 1 . 2]" 2
26 1 12 CYS H 1 19 MET ME 5.140 . 5.140 4.813 3.749 5.265 0.125 14 0 "[ . 1 . 2]" 2
27 1 12 CYS H 1 21 LEU HB2 4.250 . 4.250 4.174 3.937 4.315 0.065 13 0 "[ . 1 . 2]" 2
28 1 11 LEU HB2 1 12 CYS H 4.370 . 4.370 3.877 2.499 4.167 . 0 0 "[ . 1 . 2]" 2
29 1 11 LEU HB3 1 12 CYS H 4.370 . 4.370 2.795 2.627 3.396 . 0 0 "[ . 1 . 2]" 2
30 1 12 CYS H 1 21 LEU QD 4.180 . 4.180 2.234 1.941 2.442 . 0 0 "[ . 1 . 2]" 2
31 1 12 CYS H 1 21 LEU HG 4.590 . 4.590 4.574 4.217 4.680 0.090 9 0 "[ . 1 . 2]" 2
32 1 11 LEU QD 1 12 CYS H 3.780 . 3.780 3.455 2.909 3.842 0.062 13 0 "[ . 1 . 2]" 2
33 1 14 GLN QB 1 17 CYS H 4.370 . 4.370 3.319 2.761 4.375 0.005 7 0 "[ . 1 . 2]" 2
34 1 17 CYS H 1 17 CYS HB2 3.180 . 3.180 2.675 2.242 3.066 . 0 0 "[ . 1 . 2]" 2
35 1 17 CYS H 1 17 CYS HB3 3.360 . 3.360 2.721 2.407 3.562 0.202 13 0 "[ . 1 . 2]" 2
36 1 17 CYS HB2 1 18 GLY H 3.760 . 3.760 3.238 2.085 3.425 . 0 0 "[ . 1 . 2]" 2
37 1 12 CYS HB3 1 18 GLY H 3.990 . 3.990 2.735 1.983 3.803 . 0 0 "[ . 1 . 2]" 2
38 1 19 MET H 1 19 MET HB3 3.770 . 3.770 3.001 2.382 3.649 . 0 0 "[ . 1 . 2]" 2
39 1 19 MET H 1 19 MET HB2 3.770 . 3.770 2.599 2.434 3.518 . 0 0 "[ . 1 . 2]" 2
40 1 12 CYS HB3 1 19 MET H 4.120 . 4.120 3.603 2.438 4.169 0.049 17 0 "[ . 1 . 2]" 2
41 1 17 CYS HB3 1 19 MET H 4.130 . 4.130 3.363 2.783 3.935 . 0 0 "[ . 1 . 2]" 2
42 1 3 TYR H 1 3 TYR HB2 3.940 . 3.940 2.826 2.297 3.858 . 0 0 "[ . 1 . 2]" 2
43 1 3 TYR H 1 3 TYR HB3 3.940 . 3.940 3.265 2.511 3.841 . 0 0 "[ . 1 . 2]" 2
44 1 6 GLN H 1 6 GLN QG 4.090 . 4.090 3.264 1.921 4.193 0.103 13 0 "[ . 1 . 2]" 2
45 1 5 LEU HG 1 6 GLN H 5.110 . 5.110 4.265 2.648 5.234 0.124 6 0 "[ . 1 . 2]" 2
46 1 10 VAL H 1 23 VAL H 4.630 . 4.630 3.754 3.146 4.407 . 0 0 "[ . 1 . 2]" 2
47 1 10 VAL H 1 21 LEU H 4.900 . 4.900 3.595 3.174 4.588 . 0 0 "[ . 1 . 2]" 2
48 1 114 THR H 1 115 ARG H 4.100 . 4.100 3.969 3.758 4.049 . 0 0 "[ . 1 . 2]" 2
49 1 13 PRO QG 1 14 GLN H 3.950 . 3.950 3.206 2.736 4.041 0.091 5 0 "[ . 1 . 2]" 2
50 1 12 CYS HB3 1 14 GLN H 4.290 . 4.290 3.341 3.102 3.677 . 0 0 "[ . 1 . 2]" 2
51 1 13 PRO HD3 1 14 GLN H 4.730 . 4.730 3.973 3.671 4.195 . 0 0 "[ . 1 . 2]" 2
52 1 14 GLN H 1 17 CYS HB3 4.830 . 4.830 3.854 3.066 4.900 0.070 18 0 "[ . 1 . 2]" 2
53 1 13 PRO HD2 1 14 GLN H 4.730 . 4.730 2.895 2.523 3.219 . 0 0 "[ . 1 . 2]" 2
54 1 14 GLN H 1 15 PRO HD2 5.200 . 5.200 4.963 4.712 5.246 0.046 1 0 "[ . 1 . 2]" 2
55 1 12 CYS HA 1 14 GLN H 4.500 . 4.500 3.769 3.529 3.998 . 0 0 "[ . 1 . 2]" 2
56 1 7 ALA MB 1 9 GLY H 5.400 . 5.400 4.394 2.774 5.531 0.131 9 0 "[ . 1 . 2]" 2
57 1 11 LEU QD 1 20 GLY H 4.060 . 4.060 3.595 3.202 4.168 0.108 15 0 "[ . 1 . 2]" 2
58 1 19 MET ME 1 20 GLY H 3.750 . 3.750 3.315 2.832 3.883 0.133 9 0 "[ . 1 . 2]" 2
59 1 20 GLY HA2 1 21 LEU H 3.340 . 3.340 2.109 2.038 2.135 . 0 0 "[ . 1 . 2]" 2
60 1 23 VAL HA 1 24 GLU H 2.820 . 2.820 2.205 2.073 3.113 0.293 15 0 "[ . 1 . 2]" 2
61 1 11 LEU HA 1 21 LEU H 3.970 . 3.970 2.651 2.291 2.977 . 0 0 "[ . 1 . 2]" 2
62 1 21 LEU H 1 21 LEU HB2 3.220 . 3.220 2.331 2.206 2.438 . 0 0 "[ . 1 . 2]" 2
63 1 21 LEU H 1 21 LEU HB3 3.840 . 3.840 3.553 3.462 3.632 . 0 0 "[ . 1 . 2]" 2
64 1 21 LEU H 1 21 LEU QD 4.060 . 4.060 2.704 2.513 2.848 . 0 0 "[ . 1 . 2]" 2
65 1 21 LEU H 1 21 LEU HG 4.500 . 4.500 4.409 4.228 4.530 0.030 2 0 "[ . 1 . 2]" 2
66 1 11 LEU QD 1 21 LEU H 4.010 . 4.010 3.273 2.693 4.126 0.116 15 0 "[ . 1 . 2]" 2
67 1 20 GLY HA3 1 21 LEU H 3.550 . 3.550 3.219 3.122 3.339 . 0 0 "[ . 1 . 2]" 2
68 1 22 LEU H 1 22 LEU MD1 5.120 . 5.120 4.240 4.141 4.310 . 0 0 "[ . 1 . 2]" 2
69 1 22 LEU H 1 22 LEU MD2 5.120 . 5.120 4.129 3.895 4.338 . 0 0 "[ . 1 . 2]" 2
70 1 21 LEU QD 1 22 LEU H 3.650 . 3.650 3.043 2.728 3.367 . 0 0 "[ . 1 . 2]" 2
71 1 21 LEU HB3 1 22 LEU H 3.590 . 3.590 3.200 2.124 3.622 0.032 4 0 "[ . 1 . 2]" 2
72 1 22 LEU H 1 22 LEU QB 2.850 . 2.850 2.311 2.205 2.404 . 0 0 "[ . 1 . 2]" 2
73 1 52 GLU HA 1 53 CYS H 2.880 . 2.880 2.300 2.064 3.306 0.426 8 0 "[ . 1 . 2]" 2
74 1 22 LEU H 1 23 VAL HA 5.190 . 5.190 5.075 4.929 5.276 0.086 18 0 "[ . 1 . 2]" 2
75 1 21 LEU HA 1 22 LEU H 2.930 . 2.930 2.147 2.052 2.547 . 0 0 "[ . 1 . 2]" 2
76 1 21 LEU HB2 1 22 LEU H 4.010 . 4.010 4.206 3.568 4.368 0.358 13 0 "[ . 1 . 2]" 2
77 1 22 LEU MD1 1 23 VAL H 4.240 . 4.240 2.753 1.983 4.440 0.200 4 0 "[ . 1 . 2]" 2
78 1 23 VAL H 1 23 VAL MG2 3.920 . 3.920 2.917 2.212 3.959 0.039 15 0 "[ . 1 . 2]" 2
79 1 22 LEU QB 1 23 VAL H 3.880 . 3.880 3.739 3.364 3.915 0.035 10 0 "[ . 1 . 2]" 2
80 1 22 LEU HA 1 23 VAL H 2.900 . 2.900 2.176 2.124 2.393 . 0 0 "[ . 1 . 2]" 2
81 1 24 GLU H 1 24 GLU HB3 3.750 . 3.750 3.509 2.869 3.632 . 0 0 "[ . 1 . 2]" 2
82 1 24 GLU H 1 24 GLU HB2 3.750 . 3.750 2.515 2.255 3.575 . 0 0 "[ . 1 . 2]" 2
83 1 24 GLU H 1 25 PRO QD 4.600 . 4.600 4.398 4.315 4.446 . 0 0 "[ . 1 . 2]" 2
84 1 26 ASP H 1 26 ASP QB 3.560 . 3.560 2.486 2.182 2.892 . 0 0 "[ . 1 . 2]" 2
85 1 25 PRO QD 1 26 ASP H 4.300 . 4.300 2.808 2.502 3.309 . 0 0 "[ . 1 . 2]" 2
86 1 24 GLU HB3 1 27 CYS H 4.380 . 4.380 3.679 2.515 4.596 0.216 3 0 "[ . 1 . 2]" 2
87 1 24 GLU HB2 1 27 CYS H 4.380 . 4.380 3.124 2.704 3.759 . 0 0 "[ . 1 . 2]" 2
88 1 27 CYS H 1 27 CYS HB3 3.290 . 3.290 2.556 2.417 2.714 . 0 0 "[ . 1 . 2]" 2
89 1 27 CYS H 1 27 CYS HB2 3.290 . 3.290 2.753 2.481 3.547 0.257 12 0 "[ . 1 . 2]" 2
90 1 25 PRO HA 1 27 CYS H 4.360 . 4.360 3.867 3.498 4.225 . 0 0 "[ . 1 . 2]" 2
91 1 26 ASP H 1 27 CYS H 3.580 . 3.580 2.457 2.190 2.719 . 0 0 "[ . 1 . 2]" 2
92 1 26 ASP HA 1 27 CYS H 3.440 . 3.440 3.222 2.938 3.481 0.041 17 0 "[ . 1 . 2]" 2
93 1 29 LYS H 1 29 LYS QG 4.730 . 4.730 3.952 3.288 4.300 . 0 0 "[ . 1 . 2]" 2
94 1 29 LYS H 1 29 LYS QB 3.340 . 3.340 2.594 2.254 2.833 . 0 0 "[ . 1 . 2]" 2
95 1 28 ARG HB3 1 29 LYS H 4.780 . 4.780 3.858 2.360 4.633 . 0 0 "[ . 1 . 2]" 2
96 1 28 ARG HB2 1 29 LYS H 4.780 . 4.780 3.850 2.406 4.452 . 0 0 "[ . 1 . 2]" 2
97 1 29 LYS H 1 48 TYR QE 5.040 . 5.040 4.526 3.601 5.060 0.020 15 0 "[ . 1 . 2]" 2
98 1 23 VAL H 1 24 GLU H 4.300 . 4.300 3.956 2.077 4.322 0.022 1 0 "[ . 1 . 2]" 2
99 1 30 VAL H 1 30 VAL HB 4.160 . 4.160 3.115 2.675 3.694 . 0 0 "[ . 1 . 2]" 2
100 1 29 LYS HA 1 30 VAL H 3.270 . 3.270 2.139 2.034 2.237 . 0 0 "[ . 1 . 2]" 2
101 1 30 VAL MG1 1 31 THR H 4.430 . 4.430 3.888 2.859 4.309 . 0 0 "[ . 1 . 2]" 2
102 1 30 VAL HB 1 31 THR H 4.490 . 4.490 3.920 2.876 4.298 . 0 0 "[ . 1 . 2]" 2
103 1 31 THR H 1 31 THR HB 3.700 . 3.700 2.914 2.838 3.018 . 0 0 "[ . 1 . 2]" 2
104 1 30 VAL HA 1 31 THR H 3.240 . 3.240 2.107 2.057 2.227 . 0 0 "[ . 1 . 2]" 2
105 1 31 THR MG 1 32 CYS H 3.130 . 3.130 2.430 2.326 2.591 . 0 0 "[ . 1 . 2]" 2
106 1 21 LEU QD 1 32 CYS H 4.070 . 4.070 3.788 3.466 4.196 0.126 17 0 "[ . 1 . 2]" 2
107 1 32 CYS H 1 32 CYS HB2 3.420 . 3.420 2.412 2.284 2.555 . 0 0 "[ . 1 . 2]" 2
108 1 32 CYS H 1 32 CYS HB3 3.440 . 3.440 2.710 2.551 2.868 . 0 0 "[ . 1 . 2]" 2
109 1 32 CYS H 1 37 GLY HA2 4.280 . 4.280 3.208 2.331 4.052 . 0 0 "[ . 1 . 2]" 2
110 1 31 THR HB 1 32 CYS H 4.270 . 4.270 4.034 3.942 4.096 . 0 0 "[ . 1 . 2]" 2
111 1 31 THR HA 1 32 CYS H 3.080 . 3.080 2.241 2.205 2.292 . 0 0 "[ . 1 . 2]" 2
112 1 32 CYS H 1 33 GLN H 4.240 . 4.240 3.695 3.332 3.856 . 0 0 "[ . 1 . 2]" 2
113 1 31 THR MG 1 33 GLN H 3.420 . 3.420 3.127 2.647 3.360 . 0 0 "[ . 1 . 2]" 2
114 1 21 LEU QD 1 33 GLN H 4.150 . 4.150 3.279 2.707 3.882 . 0 0 "[ . 1 . 2]" 2
115 1 33 GLN H 1 33 GLN QB 2.820 . 2.820 2.441 2.290 2.755 . 0 0 "[ . 1 . 2]" 2
116 1 33 GLN H 1 33 GLN QG 3.600 . 3.600 2.264 1.695 2.619 . 0 0 "[ . 1 . 2]" 2
117 1 32 CYS HB2 1 33 GLN H 4.870 . 4.870 4.623 4.581 4.647 . 0 0 "[ . 1 . 2]" 2
118 1 32 CYS HB3 1 33 GLN H 4.350 . 4.350 4.343 4.240 4.410 0.060 17 0 "[ . 1 . 2]" 2
119 1 31 THR HB 1 33 GLN H 4.280 . 4.280 3.729 3.128 4.090 . 0 0 "[ . 1 . 2]" 2
120 1 120 PHE HA 1 121 GLU H 3.010 . 3.010 2.146 2.093 2.212 . 0 0 "[ . 1 . 2]" 2
121 1 32 CYS HA 1 33 GLN H 2.930 . 2.930 2.436 2.332 2.679 . 0 0 "[ . 1 . 2]" 2
122 1 36 CYS H 1 36 CYS HB3 4.200 . 4.200 3.195 2.891 3.674 . 0 0 "[ . 1 . 2]" 2
123 1 32 CYS HB2 1 36 CYS H 4.480 . 4.480 4.219 3.465 4.558 0.078 14 0 "[ . 1 . 2]" 2
124 1 36 CYS H 1 36 CYS HB2 4.200 . 4.200 3.400 2.681 3.797 . 0 0 "[ . 1 . 2]" 2
125 1 32 CYS HB3 1 36 CYS H 4.120 . 4.120 3.230 2.402 3.644 . 0 0 "[ . 1 . 2]" 2
126 1 36 CYS H 1 37 GLY HA2 5.410 . 5.410 4.742 4.246 5.087 . 0 0 "[ . 1 . 2]" 2
127 1 35 GLY HA3 1 36 CYS H 3.530 . 3.530 2.223 2.101 2.501 . 0 0 "[ . 1 . 2]" 2
128 1 35 GLY HA2 1 36 CYS H 3.530 . 3.530 3.362 3.138 3.547 0.017 15 0 "[ . 1 . 2]" 2
129 1 35 GLY H 1 36 CYS H 3.960 . 3.960 3.267 2.501 3.851 . 0 0 "[ . 1 . 2]" 2
130 1 36 CYS H 1 37 GLY H 4.280 . 4.280 3.805 2.966 4.255 . 0 0 "[ . 1 . 2]" 2
131 1 32 CYS HB3 1 37 GLY H 3.680 . 3.680 3.286 2.979 3.511 . 0 0 "[ . 1 . 2]" 2
132 1 31 THR MG 1 37 GLY H 5.390 . 5.390 4.973 4.486 5.485 0.095 5 0 "[ . 1 . 2]" 2
133 1 38 TYR H 1 38 TYR HB3 3.750 . 3.750 2.928 2.487 3.350 . 0 0 "[ . 1 . 2]" 2
134 1 32 CYS HB2 1 38 TYR H 3.760 . 3.760 3.323 2.850 3.806 0.046 6 0 "[ . 1 . 2]" 2
135 1 32 CYS HB3 1 38 TYR H 3.850 . 3.850 2.880 2.211 3.383 . 0 0 "[ . 1 . 2]" 2
136 1 37 GLY H 1 38 TYR H 4.560 . 4.560 3.977 3.591 4.441 . 0 0 "[ . 1 . 2]" 2
137 1 32 CYS H 1 37 GLY H 5.310 . 5.310 5.263 4.959 5.384 0.074 7 0 "[ . 1 . 2]" 2
138 1 32 CYS H 1 38 TYR H 4.410 . 4.410 2.440 2.154 2.947 . 0 0 "[ . 1 . 2]" 2
139 1 20 GLY H 1 21 LEU H 4.130 . 4.130 3.700 3.389 4.277 0.147 9 0 "[ . 1 . 2]" 2
140 1 11 LEU HA 1 20 GLY H 4.230 . 4.230 3.881 3.403 4.589 0.359 9 0 "[ . 1 . 2]" 2
141 1 19 MET HB2 1 20 GLY H 4.550 . 4.550 3.074 2.004 3.965 . 0 0 "[ . 1 . 2]" 2
142 1 18 GLY H 1 19 MET H 3.620 . 3.620 2.553 1.838 2.814 . 0 0 "[ . 1 . 2]" 2
143 1 12 CYS H 1 18 GLY H 4.970 . 4.970 4.076 3.376 4.902 . 0 0 "[ . 1 . 2]" 2
144 1 12 CYS H 1 19 MET H 4.230 . 4.230 4.054 3.170 4.329 0.099 15 0 "[ . 1 . 2]" 2
145 1 3 TYR H 1 4 VAL H 4.610 . 4.610 3.979 2.340 4.596 . 0 0 "[ . 1 . 2]" 2
146 1 4 VAL H 1 5 LEU H 4.450 . 4.450 3.859 2.247 4.504 0.054 15 0 "[ . 1 . 2]" 2
147 1 19 MET H 1 20 GLY H 3.830 . 3.830 2.840 2.324 4.411 0.581 9 1 "[ . +1 . 2]" 2
148 1 39 VAL H 1 39 VAL HB 4.090 . 4.090 3.137 2.521 3.725 . 0 0 "[ . 1 . 2]" 2
149 1 39 VAL H 1 39 VAL MG1 4.660 . 4.660 2.829 1.939 3.843 . 0 0 "[ . 1 . 2]" 2
150 1 39 VAL H 1 39 VAL MG2 4.660 . 4.660 2.531 1.840 3.836 . 0 0 "[ . 1 . 2]" 2
151 1 30 VAL HB 1 40 PHE H 4.970 . 4.970 4.983 3.009 5.421 0.451 12 0 "[ . 1 . 2]" 2
152 1 39 VAL MG1 1 40 PHE H 5.500 . 5.500 3.624 2.466 4.033 . 0 0 "[ . 1 . 2]" 2
153 1 39 VAL MG2 1 40 PHE H 5.500 . 5.500 3.742 2.527 4.265 . 0 0 "[ . 1 . 2]" 2
154 1 40 PHE H 1 48 TYR HB2 4.750 . 4.750 3.397 2.716 3.836 . 0 0 "[ . 1 . 2]" 2
155 1 40 PHE H 1 40 PHE HB2 4.050 . 4.050 3.898 3.823 3.981 . 0 0 "[ . 1 . 2]" 2
156 1 39 VAL HA 1 40 PHE H 3.230 . 3.230 2.175 2.099 2.242 . 0 0 "[ . 1 . 2]" 2
157 1 40 PHE H 1 48 TYR QD 4.170 . 4.170 4.134 3.320 4.312 0.142 5 0 "[ . 1 . 2]" 2
158 1 40 PHE H 1 40 PHE QD 3.790 . 3.790 2.635 2.106 2.993 . 0 0 "[ . 1 . 2]" 2
159 1 38 TYR QD 1 40 PHE H 5.130 . 5.130 4.311 3.355 5.076 . 0 0 "[ . 1 . 2]" 2
160 1 40 PHE H 1 41 CYS H 4.570 . 4.570 4.350 4.317 4.397 . 0 0 "[ . 1 . 2]" 2
161 1 40 PHE H 1 48 TYR H 5.100 . 5.100 4.894 4.276 5.190 0.090 6 0 "[ . 1 . 2]" 2
162 1 39 VAL H 1 40 PHE H 4.570 . 4.570 4.436 4.190 4.564 . 0 0 "[ . 1 . 2]" 2
163 1 40 PHE H 1 40 PHE QE 4.740 . 4.740 4.187 3.909 4.314 . 0 0 "[ . 1 . 2]" 2
164 1 41 CYS H 1 45 LEU QD 4.340 . 4.340 3.868 3.203 4.483 0.143 18 0 "[ . 1 . 2]" 2
165 1 41 CYS H 1 41 CYS HB2 3.190 . 3.190 2.646 2.516 2.834 . 0 0 "[ . 1 . 2]" 2
166 1 40 PHE HB2 1 41 CYS H 3.560 . 3.560 2.065 1.917 2.349 . 0 0 "[ . 1 . 2]" 2
167 1 41 CYS H 1 41 CYS HB3 3.210 . 3.210 2.586 2.426 2.702 . 0 0 "[ . 1 . 2]" 2
168 1 40 PHE HA 1 41 CYS H 3.330 . 3.330 2.639 2.472 2.736 . 0 0 "[ . 1 . 2]" 2
169 1 41 CYS H 1 48 TYR QD 5.040 . 5.040 4.900 4.426 5.170 0.130 9 0 "[ . 1 . 2]" 2
170 1 41 CYS H 1 45 LEU H 5.110 . 5.110 4.830 4.631 5.101 . 0 0 "[ . 1 . 2]" 2
171 1 41 CYS H 1 46 GLN H 4.410 . 4.410 3.405 3.185 3.513 . 0 0 "[ . 1 . 2]" 2
172 1 42 ARG H 1 42 ARG HB3 3.330 . 3.330 2.823 2.562 3.024 . 0 0 "[ . 1 . 2]" 2
173 1 42 ARG H 1 42 ARG HG3 4.000 . 4.000 3.035 2.259 3.617 . 0 0 "[ . 1 . 2]" 2
174 1 42 ARG H 1 42 ARG HG2 3.620 . 3.620 2.165 1.754 3.391 . 0 0 "[ . 1 . 2]" 2
175 1 42 ARG H 1 42 ARG HB2 3.700 . 3.700 3.667 3.603 3.716 0.016 18 0 "[ . 1 . 2]" 2
176 1 41 CYS HB2 1 42 ARG H 4.100 . 4.100 3.820 3.661 4.119 0.019 10 0 "[ . 1 . 2]" 2
177 1 42 ARG H 1 42 ARG QD 4.260 . 4.260 3.928 3.682 4.163 . 0 0 "[ . 1 . 2]" 2
178 1 41 CYS HB3 1 42 ARG H 4.570 . 4.570 3.357 2.872 4.031 . 0 0 "[ . 1 . 2]" 2
179 1 41 CYS HA 1 42 ARG H 3.270 . 3.270 2.471 2.266 2.669 . 0 0 "[ . 1 . 2]" 2
180 1 41 CYS H 1 42 ARG H 4.630 . 4.630 4.507 4.432 4.559 . 0 0 "[ . 1 . 2]" 2
181 1 42 ARG HG3 1 43 ASN H 4.120 . 4.120 2.786 2.279 3.131 . 0 0 "[ . 1 . 2]" 2
182 1 42 ARG HB3 1 43 ASN H 4.280 . 4.280 4.148 3.875 4.291 0.011 7 0 "[ . 1 . 2]" 2
183 1 42 ARG HG2 1 43 ASN H 4.210 . 4.210 3.115 2.129 4.126 . 0 0 "[ . 1 . 2]" 2
184 1 42 ARG HB2 1 43 ASN H 4.130 . 4.130 4.036 3.797 4.211 0.081 15 0 "[ . 1 . 2]" 2
185 1 43 ASN H 1 43 ASN HB3 3.530 . 3.530 3.234 2.518 3.670 0.140 1 0 "[ . 1 . 2]" 2
186 1 43 ASN H 1 43 ASN HB2 3.530 . 3.530 2.653 2.365 3.646 0.116 14 0 "[ . 1 . 2]" 2
187 1 43 ASN H 1 44 CYS H 3.060 . 3.060 1.993 1.914 2.133 . 0 0 "[ . 1 . 2]" 2
188 1 42 ARG H 1 43 ASN H 3.550 . 3.550 2.238 2.076 2.563 . 0 0 "[ . 1 . 2]" 2
189 1 44 CYS H 1 45 LEU QD 4.380 . 4.380 4.229 3.978 4.712 0.332 13 0 "[ . 1 . 2]" 2
190 1 43 ASN HB3 1 44 CYS H 4.050 . 4.050 3.558 2.714 4.097 0.047 11 0 "[ . 1 . 2]" 2
191 1 44 CYS H 1 44 CYS HB3 4.070 . 4.070 3.419 3.208 3.927 . 0 0 "[ . 1 . 2]" 2
192 1 43 ASN HB2 1 44 CYS H 4.050 . 4.050 3.450 2.638 4.054 0.004 9 0 "[ . 1 . 2]" 2
193 1 41 CYS HB2 1 44 CYS H 4.120 . 4.120 3.698 3.461 4.075 . 0 0 "[ . 1 . 2]" 2
194 1 44 CYS H 1 44 CYS HB2 3.940 . 3.940 3.704 2.900 3.907 . 0 0 "[ . 1 . 2]" 2
195 1 41 CYS HB3 1 44 CYS H 4.170 . 4.170 2.076 1.855 2.331 . 0 0 "[ . 1 . 2]" 2
196 1 44 CYS H 1 45 LEU HA 4.920 . 4.920 4.723 4.428 4.824 . 0 0 "[ . 1 . 2]" 2
197 1 44 CYS H 1 46 GLN H 4.960 . 4.960 4.286 4.181 4.497 . 0 0 "[ . 1 . 2]" 2
198 1 45 LEU H 1 45 LEU QD 3.340 . 3.340 2.801 2.237 3.670 0.330 13 0 "[ . 1 . 2]" 2
199 1 45 LEU H 1 45 LEU HB2 3.940 . 3.940 2.380 2.273 2.634 . 0 0 "[ . 1 . 2]" 2
200 1 45 LEU H 1 45 LEU HB3 4.180 . 4.180 3.550 2.903 3.694 . 0 0 "[ . 1 . 2]" 2
201 1 40 PHE HB2 1 45 LEU H 5.380 . 5.380 5.277 5.064 5.464 0.084 20 0 "[ . 1 . 2]" 2
202 1 44 CYS HB3 1 45 LEU H 4.360 . 4.360 3.257 2.303 3.541 . 0 0 "[ . 1 . 2]" 2
203 1 41 CYS HB3 1 45 LEU H 4.810 . 4.810 4.153 3.815 4.506 . 0 0 "[ . 1 . 2]" 2
204 1 45 LEU H 1 46 GLN H 3.560 . 3.560 2.608 2.394 2.760 . 0 0 "[ . 1 . 2]" 2
205 1 45 LEU H 1 47 GLY H 5.500 . 5.500 4.849 4.746 5.012 . 0 0 "[ . 1 . 2]" 2
206 1 45 LEU QD 1 46 GLN H 4.230 . 4.230 4.117 3.900 4.279 0.049 13 0 "[ . 1 . 2]" 2
207 1 45 LEU HB3 1 46 GLN H 4.570 . 4.570 4.323 3.995 4.440 . 0 0 "[ . 1 . 2]" 2
208 1 46 GLN H 1 46 GLN HB2 3.420 . 3.420 2.446 2.324 2.547 . 0 0 "[ . 1 . 2]" 2
209 1 41 CYS HB2 1 46 GLN H 3.270 . 3.270 3.106 2.776 3.391 0.121 8 0 "[ . 1 . 2]" 2
210 1 41 CYS HB3 1 46 GLN H 3.970 . 3.970 2.979 2.753 3.232 . 0 0 "[ . 1 . 2]" 2
211 1 46 GLN H 1 47 GLY H 4.120 . 4.120 2.858 2.596 3.072 . 0 0 "[ . 1 . 2]" 2
212 1 40 PHE HB3 1 47 GLY H 4.500 . 4.500 3.873 3.334 4.390 . 0 0 "[ . 1 . 2]" 2
213 1 48 TYR H 1 48 TYR HB2 3.470 . 3.470 3.164 3.038 3.277 . 0 0 "[ . 1 . 2]" 2
214 1 41 CYS HB2 1 48 TYR H 3.400 . 3.400 2.347 2.078 2.697 . 0 0 "[ . 1 . 2]" 2
215 1 47 GLY HA2 1 48 TYR H 3.420 . 3.420 2.966 2.770 3.095 . 0 0 "[ . 1 . 2]" 2
216 1 40 PHE HA 1 48 TYR H 3.550 . 3.550 2.708 2.358 3.016 . 0 0 "[ . 1 . 2]" 2
217 1 48 TYR H 1 49 HIS H 4.030 . 4.030 3.727 3.083 4.031 0.001 17 0 "[ . 1 . 2]" 2
218 1 41 CYS H 1 48 TYR H 4.000 . 4.000 2.564 2.277 3.035 . 0 0 "[ . 1 . 2]" 2
219 1 47 GLY H 1 48 TYR H 4.520 . 4.520 2.461 2.197 2.663 . 0 0 "[ . 1 . 2]" 2
220 1 46 GLN HA 1 48 TYR H 5.500 . 5.500 4.796 4.540 5.124 . 0 0 "[ . 1 . 2]" 2
221 1 40 PHE HB2 1 48 TYR H 4.400 . 4.400 4.036 3.529 4.437 0.037 16 0 "[ . 1 . 2]" 2
222 1 48 TYR H 1 48 TYR QD 4.440 . 4.440 4.267 3.906 4.476 0.036 17 0 "[ . 1 . 2]" 2
223 1 40 PHE QD 1 48 TYR H 5.410 . 5.410 5.236 4.885 5.471 0.061 20 0 "[ . 1 . 2]" 2
224 1 41 CYS HA 1 47 GLY H 5.020 . 5.020 5.101 4.921 5.166 0.146 10 0 "[ . 1 . 2]" 2
225 1 40 PHE HA 1 47 GLY H 4.360 . 4.360 2.764 2.305 3.112 . 0 0 "[ . 1 . 2]" 2
226 1 52 GLU H 1 52 GLU QG 3.440 . 3.440 2.712 1.729 3.552 0.112 6 0 "[ . 1 . 2]" 2
227 1 98 CYS H 1 99 ARG H 3.540 . 3.540 2.298 2.121 2.455 . 0 0 "[ . 1 . 2]" 2
228 1 97 LYS H 1 97 LYS HB2 3.690 . 3.690 2.689 2.362 2.921 . 0 0 "[ . 1 . 2]" 2
229 1 53 CYS H 1 53 CYS HB2 3.940 . 3.940 2.902 2.564 3.989 0.049 1 0 "[ . 1 . 2]" 2
230 1 53 CYS H 1 53 CYS HB3 3.940 . 3.940 3.689 3.328 3.891 . 0 0 "[ . 1 . 2]" 2
231 1 52 GLU QG 1 53 CYS H 3.930 . 3.930 3.969 3.609 4.208 0.278 11 0 "[ . 1 . 2]" 2
232 1 54 LEU H 1 54 LEU QD 3.610 . 3.610 2.735 1.643 3.942 0.332 20 0 "[ . 1 . 2]" 2
233 1 53 CYS HB3 1 54 LEU H 3.670 . 3.670 3.105 2.065 3.887 0.217 19 0 "[ . 1 . 2]" 2
234 1 53 CYS HB2 1 54 LEU H 3.670 . 3.670 2.963 1.776 3.820 0.150 14 0 "[ . 1 . 2]" 2
235 1 55 PRO QG 1 56 GLU H 4.050 . 4.050 3.906 2.691 4.399 0.349 15 0 "[ . 1 . 2]" 2
236 1 55 PRO HB3 1 56 GLU H 4.000 . 4.000 3.307 2.800 4.197 0.197 18 0 "[ . 1 . 2]" 2
237 1 55 PRO HB2 1 56 GLU H 4.000 . 4.000 2.531 1.862 3.635 . 0 0 "[ . 1 . 2]" 2
238 1 55 PRO HA 1 56 GLU H 2.980 . 2.980 2.538 2.193 3.341 0.361 18 0 "[ . 1 . 2]" 2
239 1 137 ALA MB 1 138 HIS H 4.070 . 4.070 2.257 2.038 3.233 . 0 0 "[ . 1 . 2]" 2
240 1 68 TYR H 1 68 TYR HB3 4.010 . 4.010 3.066 2.557 3.580 . 0 0 "[ . 1 . 2]" 2
241 1 68 TYR H 1 68 TYR HB2 4.010 . 4.010 3.512 2.546 4.010 0.000 20 0 "[ . 1 . 2]" 2
242 1 70 VAL H 1 70 VAL QG 3.520 . 3.520 2.158 1.869 2.787 . 0 0 "[ . 1 . 2]" 2
243 1 69 THR MG 1 70 VAL H 4.130 . 4.130 3.453 2.470 3.997 . 0 0 "[ . 1 . 2]" 2
244 1 70 VAL H 1 70 VAL HB 3.710 . 3.710 3.443 2.603 3.809 0.099 15 0 "[ . 1 . 2]" 2
245 1 69 THR HA 1 70 VAL H 2.980 . 2.980 2.278 2.157 2.506 . 0 0 "[ . 1 . 2]" 2
246 1 70 VAL HA 1 71 ASP H 3.520 . 3.520 2.360 2.128 3.306 . 0 0 "[ . 1 . 2]" 2
247 1 88 ILE HA 1 89 LYS H 3.450 . 3.450 2.430 2.075 3.491 0.041 7 0 "[ . 1 . 2]" 2
248 1 90 VAL QG 1 92 THR H 3.520 . 3.520 2.426 1.661 3.408 . 0 0 "[ . 1 . 2]" 2
249 1 92 THR H 1 92 THR MG 3.640 . 3.640 2.893 2.584 3.105 . 0 0 "[ . 1 . 2]" 2
250 1 90 VAL HB 1 92 THR H 5.410 . 5.410 4.495 2.238 5.392 . 0 0 "[ . 1 . 2]" 2
251 1 92 THR H 1 101 PRO HB2 5.500 . 5.500 5.427 4.945 5.589 0.089 1 0 "[ . 1 . 2]" 2
252 1 92 THR H 1 92 THR HB 3.690 . 3.690 3.542 3.454 3.669 . 0 0 "[ . 1 . 2]" 2
253 1 73 ASN H 1 73 ASN HB3 4.130 . 4.130 3.232 2.437 3.790 . 0 0 "[ . 1 . 2]" 2
254 1 76 ALA H 1 76 ALA MB 3.340 . 3.340 2.622 2.308 2.899 . 0 0 "[ . 1 . 2]" 2
255 1 76 ALA MB 1 77 GLU H 3.850 . 3.850 2.871 1.952 3.600 . 0 0 "[ . 1 . 2]" 2
256 1 77 GLU H 1 77 GLU HB3 4.130 . 4.130 3.269 2.545 3.769 . 0 0 "[ . 1 . 2]" 2
257 1 77 GLU H 1 77 GLU HB2 4.130 . 4.130 3.329 2.456 4.043 . 0 0 "[ . 1 . 2]" 2
258 1 76 ALA HA 1 77 GLU H 3.400 . 3.400 2.275 2.133 2.702 . 0 0 "[ . 1 . 2]" 2
259 1 78 ALA MB 1 79 ARG H 4.160 . 4.160 2.931 2.173 3.511 . 0 0 "[ . 1 . 2]" 2
260 1 79 ARG H 1 79 ARG HG2 5.420 . 5.420 3.762 2.265 4.898 . 0 0 "[ . 1 . 2]" 2
261 1 79 ARG H 1 79 ARG HG3 5.420 . 5.420 3.768 1.757 5.187 . 0 0 "[ . 1 . 2]" 2
262 1 78 ALA HA 1 79 ARG H 3.550 . 3.550 2.219 2.125 2.521 . 0 0 "[ . 1 . 2]" 2
263 1 80 TRP H 1 80 TRP HB3 3.920 . 3.920 3.489 2.499 3.861 . 0 0 "[ . 1 . 2]" 2
264 1 80 TRP H 1 80 TRP HB2 3.920 . 3.920 3.165 2.506 4.002 0.082 20 0 "[ . 1 . 2]" 2
265 1 81 ASP HA 1 82 GLU H 3.200 . 3.200 2.193 2.099 2.498 . 0 0 "[ . 1 . 2]" 2
266 1 4 VAL H 1 5 LEU HA 5.500 . 5.500 5.074 4.438 5.511 0.011 14 0 "[ . 1 . 2]" 2
267 1 82 GLU H 1 82 GLU HB3 3.870 . 3.870 2.805 2.412 3.252 . 0 0 "[ . 1 . 2]" 2
268 1 86 VAL H 1 86 VAL MG1 4.630 . 4.630 3.167 1.973 3.911 . 0 0 "[ . 1 . 2]" 2
269 1 86 VAL H 1 86 VAL MG2 4.630 . 4.630 2.765 1.964 4.017 . 0 0 "[ . 1 . 2]" 2
270 1 86 VAL H 1 86 VAL HB 3.790 . 3.790 3.043 2.578 3.831 0.041 3 0 "[ . 1 . 2]" 2
271 1 104 ARG H 1 104 ARG HG3 4.620 . 4.620 3.404 1.918 4.771 0.151 4 0 "[ . 1 . 2]" 2
272 1 104 ARG H 1 104 ARG HG2 4.620 . 4.620 3.099 1.894 4.759 0.139 2 0 "[ . 1 . 2]" 2
273 1 88 ILE H 1 88 ILE MG 4.380 . 4.380 2.965 1.919 3.856 . 0 0 "[ . 1 . 2]" 2
274 1 88 ILE H 1 88 ILE HG12 4.660 . 4.660 3.496 1.988 4.783 0.123 12 0 "[ . 1 . 2]" 2
275 1 88 ILE H 1 88 ILE HB 4.020 . 4.020 3.280 2.427 3.822 . 0 0 "[ . 1 . 2]" 2
276 1 103 GLU HB2 1 104 ARG H 4.540 . 4.540 3.984 2.119 4.500 . 0 0 "[ . 1 . 2]" 2
277 1 87 THR HA 1 88 ILE H 3.210 . 3.210 2.246 2.109 2.533 . 0 0 "[ . 1 . 2]" 2
278 1 104 ARG H 1 105 ASP HA 5.150 . 5.150 5.063 4.737 5.282 0.132 19 0 "[ . 1 . 2]" 2
279 1 103 GLU HA 1 104 ARG H 3.160 . 3.160 2.235 2.073 2.505 . 0 0 "[ . 1 . 2]" 2
280 1 92 THR HA 1 104 ARG H 5.060 . 5.060 4.058 2.751 5.267 0.207 2 0 "[ . 1 . 2]" 2
281 1 104 ARG H 1 105 ASP H 4.620 . 4.620 4.365 4.085 4.579 . 0 0 "[ . 1 . 2]" 2
282 1 104 ARG H 1 111 MET ME 5.500 . 5.500 3.897 2.264 4.693 . 0 0 "[ . 1 . 2]" 2
283 1 88 ILE MG 1 89 LYS H 4.120 . 4.120 3.482 2.394 4.173 0.053 8 0 "[ . 1 . 2]" 2
284 1 88 ILE HB 1 89 LYS H 4.710 . 4.710 3.218 1.860 4.367 . 0 0 "[ . 1 . 2]" 2
285 1 90 VAL H 1 90 VAL QG 3.820 . 3.820 2.109 1.784 2.626 . 0 0 "[ . 1 . 2]" 2
286 1 90 VAL H 1 90 VAL HB 4.080 . 4.080 2.931 2.550 3.679 . 0 0 "[ . 1 . 2]" 2
287 1 89 LYS HA 1 90 VAL H 3.530 . 3.530 2.335 2.137 2.722 . 0 0 "[ . 1 . 2]" 2
288 1 19 MET H 1 19 MET ME 3.920 . 3.920 3.557 2.371 4.039 0.119 9 0 "[ . 1 . 2]" 2
289 1 90 VAL QG 1 93 LYS H 5.340 . 5.340 4.792 4.304 5.377 0.037 17 0 "[ . 1 . 2]" 2
290 1 92 THR MG 1 93 LYS H 3.930 . 3.930 3.417 3.101 3.912 . 0 0 "[ . 1 . 2]" 2
291 1 93 LYS H 1 102 THR MG 4.550 . 4.550 4.406 4.202 4.572 0.022 7 0 "[ . 1 . 2]" 2
292 1 92 THR HB 1 93 LYS H 3.670 . 3.670 2.753 1.965 3.557 . 0 0 "[ . 1 . 2]" 2
293 1 93 LYS H 1 101 PRO HA 4.600 . 4.600 4.063 3.750 4.374 . 0 0 "[ . 1 . 2]" 2
294 1 93 LYS H 1 102 THR HB 4.630 . 4.630 3.377 3.020 3.875 . 0 0 "[ . 1 . 2]" 2
295 1 93 LYS H 1 103 GLU HA 5.150 . 5.150 3.870 3.319 5.120 . 0 0 "[ . 1 . 2]" 2
296 1 92 THR HA 1 93 LYS H 3.210 . 3.210 2.287 2.137 2.582 . 0 0 "[ . 1 . 2]" 2
297 1 93 LYS H 1 122 TRP HZ2 5.290 . 5.290 5.103 4.297 5.388 0.098 19 0 "[ . 1 . 2]" 2
298 1 94 PRO HB3 1 95 CYS H 4.390 . 4.390 3.943 3.601 4.111 . 0 0 "[ . 1 . 2]" 2
299 1 121 GLU H 1 121 GLU HB3 4.030 . 4.030 3.494 2.446 3.744 . 0 0 "[ . 1 . 2]" 2
300 1 94 PRO HB2 1 95 CYS H 4.390 . 4.390 3.650 3.412 3.924 . 0 0 "[ . 1 . 2]" 2
301 1 95 CYS H 1 95 CYS QB 3.310 . 3.310 2.228 2.187 2.244 . 0 0 "[ . 1 . 2]" 2
302 1 95 CYS H 1 100 THR HB 5.250 . 5.250 4.985 4.766 5.274 0.024 2 0 "[ . 1 . 2]" 2
303 1 95 CYS H 1 101 PRO HA 4.800 . 4.800 4.087 3.754 4.564 . 0 0 "[ . 1 . 2]" 2
304 1 94 PRO HA 1 95 CYS H 3.350 . 3.350 2.129 2.105 2.146 . 0 0 "[ . 1 . 2]" 2
305 1 95 CYS QB 1 97 LYS H 4.000 . 4.000 3.257 3.114 3.398 . 0 0 "[ . 1 . 2]" 2
306 1 95 CYS HA 1 97 LYS H 4.490 . 4.490 3.688 3.536 3.844 . 0 0 "[ . 1 . 2]" 2
307 1 98 CYS H 1 98 CYS HB3 4.190 . 4.190 3.011 2.849 3.274 . 0 0 "[ . 1 . 2]" 2
308 1 95 CYS QB 1 98 CYS H 3.920 . 3.920 2.799 2.589 3.072 . 0 0 "[ . 1 . 2]" 2
309 1 98 CYS H 1 98 CYS HB2 4.190 . 4.190 3.647 3.577 3.701 . 0 0 "[ . 1 . 2]" 2
310 1 97 LYS HB2 1 98 CYS H 4.180 . 4.180 3.163 1.984 3.735 . 0 0 "[ . 1 . 2]" 2
311 1 97 LYS HB3 1 98 CYS H 4.180 . 4.180 2.392 1.991 3.210 . 0 0 "[ . 1 . 2]" 2
312 1 94 PRO HB2 1 99 ARG H 5.460 . 5.460 5.255 4.835 5.547 0.087 10 0 "[ . 1 . 2]" 2
313 1 95 CYS QB 1 99 ARG H 3.670 . 3.670 2.185 1.918 2.444 . 0 0 "[ . 1 . 2]" 2
314 1 100 THR H 1 100 THR HB 3.730 . 3.730 3.597 3.487 3.633 . 0 0 "[ . 1 . 2]" 2
315 1 95 CYS QB 1 100 THR H 3.270 . 3.270 1.869 1.697 1.962 . 0 0 "[ . 1 . 2]" 2
316 1 100 THR H 1 100 THR MG 3.670 . 3.670 2.547 2.466 2.654 . 0 0 "[ . 1 . 2]" 2
317 1 94 PRO HB2 1 100 THR H 5.500 . 5.500 5.417 4.972 5.552 0.052 14 0 "[ . 1 . 2]" 2
318 1 100 THR H 1 101 PRO HD2 5.260 . 5.260 5.071 4.758 5.324 0.064 9 0 "[ . 1 . 2]" 2
319 1 95 CYS H 1 100 THR H 4.170 . 4.170 2.854 2.710 2.975 . 0 0 "[ . 1 . 2]" 2
320 1 99 ARG H 1 100 THR H 3.820 . 3.820 2.638 2.563 2.705 . 0 0 "[ . 1 . 2]" 2
321 1 98 CYS H 1 100 THR H 4.340 . 4.340 3.741 3.502 4.074 . 0 0 "[ . 1 . 2]" 2
322 1 92 THR MG 1 102 THR H 3.920 . 3.920 3.903 3.482 4.045 0.125 19 0 "[ . 1 . 2]" 2
323 1 102 THR H 1 102 THR MG 4.000 . 4.000 3.784 3.757 3.858 . 0 0 "[ . 1 . 2]" 2
324 1 101 PRO HB3 1 102 THR H 4.660 . 4.660 4.252 4.014 4.457 . 0 0 "[ . 1 . 2]" 2
325 1 101 PRO HB2 1 102 THR H 4.160 . 4.160 4.092 3.896 4.183 0.023 18 0 "[ . 1 . 2]" 2
326 1 92 THR HB 1 102 THR H 3.890 . 3.890 3.105 2.363 3.682 . 0 0 "[ . 1 . 2]" 2
327 1 101 PRO HA 1 102 THR H 3.170 . 3.170 2.217 2.165 2.285 . 0 0 "[ . 1 . 2]" 2
328 1 102 THR H 1 102 THR HB 3.390 . 3.390 2.579 2.464 2.665 . 0 0 "[ . 1 . 2]" 2
329 1 102 THR H 1 103 GLU H 4.470 . 4.470 4.432 4.258 4.488 0.018 9 0 "[ . 1 . 2]" 2
330 1 93 LYS H 1 102 THR H 3.640 . 3.640 3.078 2.785 3.357 . 0 0 "[ . 1 . 2]" 2
331 1 92 THR MG 1 103 GLU H 4.300 . 4.300 3.221 2.655 3.783 . 0 0 "[ . 1 . 2]" 2
332 1 102 THR MG 1 103 GLU H 3.320 . 3.320 2.822 2.581 3.076 . 0 0 "[ . 1 . 2]" 2
333 1 103 GLU H 1 103 GLU HB3 3.630 . 3.630 3.185 2.509 3.637 0.007 4 0 "[ . 1 . 2]" 2
334 1 103 GLU H 1 103 GLU HB2 3.630 . 3.630 2.640 2.212 3.740 0.110 20 0 "[ . 1 . 2]" 2
335 1 103 GLU H 1 104 ARG H 4.720 . 4.720 4.468 3.883 4.629 . 0 0 "[ . 1 . 2]" 2
336 1 87 THR MG 1 88 ILE H 4.040 . 4.040 3.395 2.630 4.115 0.075 9 0 "[ . 1 . 2]" 2
337 1 88 ILE H 1 88 ILE HG13 4.660 . 4.660 3.265 1.879 4.764 0.104 18 0 "[ . 1 . 2]" 2
338 1 108 CYS H 1 108 CYS HB3 3.800 . 3.800 3.097 2.443 3.905 0.105 14 0 "[ . 1 . 2]" 2
339 1 108 CYS H 1 108 CYS HB2 3.800 . 3.800 3.003 2.468 3.845 0.045 6 0 "[ . 1 . 2]" 2
340 1 110 HIS H 1 110 HIS HB3 3.800 . 3.800 2.916 2.391 3.626 . 0 0 "[ . 1 . 2]" 2
341 1 110 HIS H 1 110 HIS HB2 3.800 . 3.800 2.668 2.228 3.814 0.014 1 0 "[ . 1 . 2]" 2
342 1 108 CYS HB2 1 110 HIS H 4.850 . 4.850 3.622 2.282 4.897 0.047 2 0 "[ . 1 . 2]" 2
343 1 109 MET H 1 110 HIS H 4.410 . 4.410 2.481 1.632 3.406 . 0 0 "[ . 1 . 2]" 2
344 1 108 CYS HA 1 110 HIS H 4.610 . 4.610 3.946 3.215 4.625 0.015 11 0 "[ . 1 . 2]" 2
345 1 111 MET H 1 111 MET HG3 4.120 . 4.120 3.706 2.087 4.365 0.245 16 0 "[ . 1 . 2]" 2
346 1 111 MET H 1 111 MET HG2 4.120 . 4.120 3.201 2.315 4.551 0.431 19 0 "[ . 1 . 2]" 2
347 1 110 HIS HA 1 111 MET H 3.410 . 3.410 2.186 2.127 2.254 . 0 0 "[ . 1 . 2]" 2
348 1 110 HIS HD2 1 111 MET H 4.270 . 4.270 3.796 2.694 4.353 0.083 20 0 "[ . 1 . 2]" 2
349 1 111 MET H 1 111 MET HB3 4.120 . 4.120 3.353 2.325 3.730 . 0 0 "[ . 1 . 2]" 2
350 1 111 MET H 1 111 MET HB2 4.120 . 4.120 2.863 2.313 3.954 . 0 0 "[ . 1 . 2]" 2
351 1 112 VAL H 1 112 VAL MG2 3.990 . 3.990 2.579 2.252 3.834 . 0 0 "[ . 1 . 2]" 2
352 1 112 VAL H 1 112 VAL MG1 3.990 . 3.990 3.172 2.049 3.950 . 0 0 "[ . 1 . 2]" 2
353 1 102 THR MG 1 112 VAL H 4.470 . 4.470 4.311 3.160 4.565 0.095 14 0 "[ . 1 . 2]" 2
354 1 112 VAL MG2 1 113 CYS H 4.210 . 4.210 3.647 2.414 4.194 . 0 0 "[ . 1 . 2]" 2
355 1 112 VAL MG1 1 113 CYS H 4.210 . 4.210 3.364 2.345 4.168 . 0 0 "[ . 1 . 2]" 2
356 1 113 CYS H 1 113 CYS HB3 3.430 . 3.430 2.432 2.291 2.506 . 0 0 "[ . 1 . 2]" 2
357 1 113 CYS H 1 113 CYS HB2 3.430 . 3.430 2.729 2.612 2.814 . 0 0 "[ . 1 . 2]" 2
358 1 113 CYS H 1 121 GLU HA 4.130 . 4.130 3.165 2.548 3.648 . 0 0 "[ . 1 . 2]" 2
359 1 114 THR MG 1 115 ARG H 4.410 . 4.410 4.150 4.028 4.306 . 0 0 "[ . 1 . 2]" 2
360 1 115 ARG H 1 115 ARG QG 4.260 . 4.260 4.234 4.186 4.285 0.025 19 0 "[ . 1 . 2]" 2
361 1 115 ARG H 1 115 ARG HB3 3.320 . 3.320 2.880 2.653 3.001 . 0 0 "[ . 1 . 2]" 2
362 1 115 ARG H 1 118 CYS HB2 4.600 . 4.600 4.369 3.955 4.633 0.033 3 0 "[ . 1 . 2]" 2
363 1 115 ARG H 1 118 CYS HB3 4.070 . 4.070 2.874 2.418 3.170 . 0 0 "[ . 1 . 2]" 2
364 1 115 ARG H 1 115 ARG QD 4.950 . 4.950 4.481 4.132 4.786 . 0 0 "[ . 1 . 2]" 2
365 1 114 THR HB 1 115 ARG H 4.670 . 4.670 4.138 3.930 4.465 . 0 0 "[ . 1 . 2]" 2
366 1 115 ARG H 1 119 GLY H 4.320 . 4.320 2.824 2.374 4.333 0.013 20 0 "[ . 1 . 2]" 2
367 1 118 CYS H 1 118 CYS HB2 3.280 . 3.280 3.060 2.757 3.313 0.033 1 0 "[ . 1 . 2]" 2
368 1 118 CYS H 1 118 CYS HB3 3.200 . 3.200 2.731 2.520 3.040 . 0 0 "[ . 1 . 2]" 2
369 1 115 ARG QD 1 118 CYS H 4.500 . 4.500 3.726 3.134 4.300 . 0 0 "[ . 1 . 2]" 2
370 1 115 ARG QG 1 118 CYS H 5.240 . 5.240 4.857 4.144 5.271 0.031 4 0 "[ . 1 . 2]" 2
371 1 111 MET HA 1 112 VAL H 2.940 . 2.940 2.156 2.086 2.319 . 0 0 "[ . 1 . 2]" 2
372 1 118 CYS H 1 119 GLY H 3.420 . 3.420 2.996 2.566 3.961 0.541 20 1 "[ . 1 . +]" 2
373 1 118 CYS HB2 1 119 GLY H 3.660 . 3.660 3.359 3.280 3.464 . 0 0 "[ . 1 . 2]" 2
374 1 118 CYS HB3 1 119 GLY H 3.570 . 3.570 1.796 1.681 2.222 . 0 0 "[ . 1 . 2]" 2
375 1 118 CYS HB2 1 120 PHE H 5.500 . 5.500 4.619 4.216 5.577 0.077 20 0 "[ . 1 . 2]" 2
376 1 118 CYS HB3 1 120 PHE H 4.260 . 4.260 3.448 3.095 4.269 0.009 20 0 "[ . 1 . 2]" 2
377 1 120 PHE H 1 120 PHE HB2 3.670 . 3.670 2.750 2.296 3.207 . 0 0 "[ . 1 . 2]" 2
378 1 120 PHE H 1 120 PHE HB3 3.670 . 3.670 2.608 2.477 2.758 . 0 0 "[ . 1 . 2]" 2
379 1 120 PHE H 1 120 PHE QD 4.570 . 4.570 4.236 4.037 4.361 . 0 0 "[ . 1 . 2]" 2
380 1 119 GLY H 1 120 PHE H 3.920 . 3.920 2.588 2.336 2.966 . 0 0 "[ . 1 . 2]" 2
381 1 121 GLU H 1 121 GLU HB2 4.030 . 4.030 2.810 2.430 3.757 . 0 0 "[ . 1 . 2]" 2
382 1 121 GLU H 1 121 GLU HG2 4.550 . 4.550 3.497 1.840 4.327 . 0 0 "[ . 1 . 2]" 2
383 1 120 PHE QD 1 121 GLU H 4.000 . 4.000 3.592 3.131 3.963 . 0 0 "[ . 1 . 2]" 2
384 1 123 CYS H 1 123 CYS HB3 4.120 . 4.120 3.070 2.459 3.637 . 0 0 "[ . 1 . 2]" 2
385 1 122 TRP HB2 1 123 CYS H 3.880 . 3.880 2.462 2.078 2.852 . 0 0 "[ . 1 . 2]" 2
386 1 123 CYS H 1 123 CYS HB2 4.120 . 4.120 2.551 2.380 2.748 . 0 0 "[ . 1 . 2]" 2
387 1 123 CYS H 1 129 GLU HA 5.500 . 5.500 4.602 3.687 5.397 . 0 0 "[ . 1 . 2]" 2
388 1 123 CYS H 1 130 TRP HA 5.500 . 5.500 4.960 4.091 5.557 0.057 19 0 "[ . 1 . 2]" 2
389 1 123 CYS HA 1 124 TRP H 3.520 . 3.520 2.152 2.099 2.232 . 0 0 "[ . 1 . 2]" 2
390 1 124 TRP H 1 139 TRP HE3 4.870 . 4.870 4.749 3.502 5.033 0.163 7 0 "[ . 1 . 2]" 2
391 1 109 MET HA 1 124 TRP H 5.040 . 5.040 4.081 3.389 5.169 0.129 1 0 "[ . 1 . 2]" 2
392 1 125 VAL H 1 125 VAL MG2 4.010 . 4.010 2.025 1.760 2.270 . 0 0 "[ . 1 . 2]" 2
393 1 125 VAL H 1 125 VAL MG1 4.010 . 4.010 3.474 2.429 3.796 . 0 0 "[ . 1 . 2]" 2
394 1 125 VAL H 1 125 VAL HB 3.660 . 3.660 2.854 2.480 3.688 0.028 7 0 "[ . 1 . 2]" 2
395 1 124 TRP HB2 1 125 VAL H 4.210 . 4.210 4.014 3.806 4.187 . 0 0 "[ . 1 . 2]" 2
396 1 124 TRP H 1 125 VAL H 4.090 . 4.090 2.601 2.500 2.746 . 0 0 "[ . 1 . 2]" 2
397 1 124 TRP HB3 1 125 VAL H 4.210 . 4.210 2.696 2.369 2.973 . 0 0 "[ . 1 . 2]" 2
398 1 128 THR MG 1 129 GLU H 3.980 . 3.980 3.229 2.952 3.537 . 0 0 "[ . 1 . 2]" 2
399 1 129 GLU H 1 129 GLU HB3 3.930 . 3.930 2.925 2.314 3.675 . 0 0 "[ . 1 . 2]" 2
400 1 129 GLU H 1 129 GLU HB2 3.930 . 3.930 3.005 2.312 3.714 . 0 0 "[ . 1 . 2]" 2
401 1 128 THR HB 1 129 GLU H 3.770 . 3.770 2.702 2.077 3.814 0.044 16 0 "[ . 1 . 2]" 2
402 1 120 PHE HZ 1 129 GLU H 5.070 . 5.070 4.642 3.841 5.161 0.091 16 0 "[ . 1 . 2]" 2
403 1 129 GLU HB3 1 130 TRP H 4.620 . 4.620 3.711 2.633 4.394 . 0 0 "[ . 1 . 2]" 2
404 1 129 GLU HB2 1 130 TRP H 4.620 . 4.620 3.543 2.632 4.486 . 0 0 "[ . 1 . 2]" 2
405 1 129 GLU HG3 1 130 TRP H 4.990 . 4.990 4.039 2.516 5.052 0.062 14 0 "[ . 1 . 2]" 2
406 1 129 GLU HG2 1 130 TRP H 4.990 . 4.990 3.990 2.439 5.040 0.050 10 0 "[ . 1 . 2]" 2
407 1 130 TRP H 1 130 TRP HB3 3.890 . 3.890 2.806 2.451 4.023 0.133 12 0 "[ . 1 . 2]" 2
408 1 130 TRP H 1 130 TRP HB2 3.890 . 3.890 3.012 2.242 3.641 . 0 0 "[ . 1 . 2]" 2
409 1 122 TRP HB3 1 130 TRP H 4.560 . 4.560 3.985 2.738 4.599 0.039 3 0 "[ . 1 . 2]" 2
410 1 129 GLU HA 1 130 TRP H 3.370 . 3.370 2.275 2.107 2.408 . 0 0 "[ . 1 . 2]" 2
411 1 122 TRP HA 1 130 TRP H 3.640 . 3.640 3.282 2.328 3.682 0.042 15 0 "[ . 1 . 2]" 2
412 1 123 CYS H 1 130 TRP H 5.370 . 5.370 4.956 3.391 5.418 0.048 14 0 "[ . 1 . 2]" 2
413 1 134 CYS H 1 134 CYS HB3 4.130 . 4.130 3.268 2.614 3.684 . 0 0 "[ . 1 . 2]" 2
414 1 133 ASP HB3 1 134 CYS H 4.180 . 4.180 2.969 2.105 4.200 0.020 11 0 "[ . 1 . 2]" 2
415 1 133 ASP HB2 1 134 CYS H 4.180 . 4.180 3.497 2.265 4.141 . 0 0 "[ . 1 . 2]" 2
416 1 134 CYS H 1 134 CYS HB2 4.130 . 4.130 2.561 2.306 3.563 . 0 0 "[ . 1 . 2]" 2
417 1 133 ASP H 1 134 CYS H 4.060 . 4.060 2.744 2.533 3.068 . 0 0 "[ . 1 . 2]" 2
418 1 137 ALA H 1 137 ALA MB 3.080 . 3.080 2.322 2.214 2.430 . 0 0 "[ . 1 . 2]" 2
419 1 137 ALA H 1 138 HIS H 3.920 . 3.920 2.595 2.369 3.016 . 0 0 "[ . 1 . 2]" 2
420 1 105 ASP H 1 105 ASP HB3 4.120 . 4.120 3.284 2.527 3.792 . 0 0 "[ . 1 . 2]" 2
421 1 105 ASP H 1 105 ASP HB2 4.120 . 4.120 2.933 2.304 3.946 . 0 0 "[ . 1 . 2]" 2
422 1 31 THR MG 1 38 TYR H 4.190 . 4.190 2.763 2.060 4.241 0.051 14 0 "[ . 1 . 2]" 2
423 1 32 CYS HA 1 38 TYR H 5.400 . 5.400 4.794 4.423 5.259 . 0 0 "[ . 1 . 2]" 2
424 1 10 VAL H 1 11 LEU H 4.720 . 4.720 4.412 4.326 4.588 . 0 0 "[ . 1 . 2]" 2
425 1 19 MET HB3 1 20 GLY H 4.550 . 4.550 2.910 1.814 4.277 . 0 0 "[ . 1 . 2]" 2
426 1 30 VAL H 1 31 THR H 4.790 . 4.790 4.339 4.107 4.480 . 0 0 "[ . 1 . 2]" 2
427 1 2 GLU HA 1 3 TYR H 3.360 . 3.360 2.322 2.125 3.384 0.024 15 0 "[ . 1 . 2]" 2
428 1 74 ARG HA 1 75 ALA H 3.510 . 3.510 2.383 2.125 3.559 0.049 9 0 "[ . 1 . 2]" 2
429 1 10 VAL HA 1 11 LEU H 2.640 . 2.640 2.543 2.296 2.629 . 0 0 "[ . 1 . 2]" 2
430 1 134 CYS HA 1 137 ALA H 4.280 . 4.280 3.249 2.610 3.730 . 0 0 "[ . 1 . 2]" 2
431 1 42 ARG QD 1 43 ASN H 4.820 . 4.820 4.560 3.225 4.880 0.060 7 0 "[ . 1 . 2]" 2
432 1 42 ARG HG3 1 44 CYS H 4.940 . 4.940 4.751 4.350 5.049 0.109 20 0 "[ . 1 . 2]" 2
433 1 12 CYS HB2 1 18 GLY H 4.920 . 4.920 4.200 3.379 4.751 . 0 0 "[ . 1 . 2]" 2
434 1 34 ASN HB3 1 35 GLY H 4.550 . 4.550 3.937 3.148 4.496 . 0 0 "[ . 1 . 2]" 2
435 1 34 ASN HB2 1 35 GLY H 4.550 . 4.550 3.850 3.206 4.326 . 0 0 "[ . 1 . 2]" 2
436 1 77 GLU H 1 77 GLU QG 4.210 . 4.210 2.789 1.779 4.293 0.083 7 0 "[ . 1 . 2]" 2
437 1 52 GLU H 1 52 GLU HB3 4.000 . 4.000 3.607 2.855 4.047 0.047 9 0 "[ . 1 . 2]" 2
438 1 132 ARG QB 1 133 ASP H 4.490 . 4.490 3.036 2.412 3.654 . 0 0 "[ . 1 . 2]" 2
439 1 132 ARG QG 1 133 ASP H 4.660 . 4.660 3.765 2.324 4.707 0.047 15 0 "[ . 1 . 2]" 2
440 1 112 VAL HB 1 113 CYS H 4.550 . 4.550 3.573 2.669 4.316 . 0 0 "[ . 1 . 2]" 2
441 1 14 GLN H 1 14 GLN QB 3.450 . 3.450 2.388 2.134 3.031 . 0 0 "[ . 1 . 2]" 2
442 1 105 ASP H 1 111 MET ME 5.160 . 5.160 3.673 1.776 5.257 0.097 2 0 "[ . 1 . 2]" 2
443 1 11 LEU H 1 21 LEU HB3 5.500 . 5.500 5.683 5.606 5.754 0.254 12 0 "[ . 1 . 2]" 2
444 1 11 LEU H 1 21 LEU HB2 4.250 . 4.250 4.232 4.133 4.343 0.093 7 0 "[ . 1 . 2]" 2
445 1 100 THR H 1 101 PRO HD3 5.260 . 5.260 4.859 4.612 5.145 . 0 0 "[ . 1 . 2]" 2
446 1 95 CYS HA 1 100 THR H 4.590 . 4.590 4.638 4.597 4.679 0.089 8 0 "[ . 1 . 2]" 2
447 1 23 VAL H 1 23 VAL HB 3.520 . 3.520 2.742 2.524 3.217 . 0 0 "[ . 1 . 2]" 2
448 1 82 GLU H 1 82 GLU HB2 3.870 . 3.870 3.341 2.526 3.733 . 0 0 "[ . 1 . 2]" 2
449 1 82 GLU H 1 82 GLU QG 4.240 . 4.240 2.812 1.737 4.062 . 0 0 "[ . 1 . 2]" 2
450 1 82 GLU H 1 83 ALA HA 4.950 . 4.950 4.606 4.249 5.083 0.133 1 0 "[ . 1 . 2]" 2
451 1 80 TRP HA 1 81 ASP H 3.540 . 3.540 2.509 2.128 3.516 . 0 0 "[ . 1 . 2]" 2
452 1 43 ASN H 1 44 CYS HB2 5.500 . 5.500 5.543 4.437 5.777 0.277 7 0 "[ . 1 . 2]" 2
453 1 41 CYS HB3 1 43 ASN H 4.710 . 4.710 3.151 2.961 3.495 . 0 0 "[ . 1 . 2]" 2
454 1 41 CYS HA 1 43 ASN H 4.620 . 4.620 4.160 3.754 4.749 0.129 19 0 "[ . 1 . 2]" 2
455 1 43 ASN H 1 44 CYS HA 5.070 . 5.070 4.708 4.647 4.848 . 0 0 "[ . 1 . 2]" 2
456 1 73 ASN H 1 73 ASN HB2 4.130 . 4.130 3.063 2.382 3.977 . 0 0 "[ . 1 . 2]" 2
457 1 95 CYS HA 1 99 ARG H 4.710 . 4.710 4.395 4.246 4.549 . 0 0 "[ . 1 . 2]" 2
458 1 42 ARG HA 1 44 CYS H 4.580 . 4.580 4.365 4.132 4.640 0.060 16 0 "[ . 1 . 2]" 2
459 1 45 LEU HB2 1 46 GLN H 4.610 . 4.610 4.097 3.927 4.338 . 0 0 "[ . 1 . 2]" 2
460 1 109 MET HA 1 125 VAL H 5.020 . 5.020 4.646 4.034 5.063 0.043 19 0 "[ . 1 . 2]" 2
461 1 14 GLN H 1 17 CYS HB2 4.580 . 4.580 4.182 3.323 4.593 0.013 7 0 "[ . 1 . 2]" 2
462 1 37 GLY HA2 1 38 TYR H 3.170 . 3.170 2.115 2.037 2.176 . 0 0 "[ . 1 . 2]" 2
463 1 14 GLN H 1 15 PRO HD3 5.200 . 5.200 4.672 4.365 5.024 . 0 0 "[ . 1 . 2]" 2
464 1 115 ARG H 1 115 ARG HB2 3.320 . 3.320 2.824 2.683 3.099 . 0 0 "[ . 1 . 2]" 2
465 1 97 LYS H 1 120 PHE QD 5.250 . 5.250 4.244 3.663 4.538 . 0 0 "[ . 1 . 2]" 2
466 1 97 LYS H 1 97 LYS HB3 3.690 . 3.690 2.914 2.496 3.706 0.016 2 0 "[ . 1 . 2]" 2
467 1 24 GLU HA 1 24 GLU HG2 4.110 . 4.110 2.939 2.524 3.736 . 0 0 "[ . 1 . 2]" 2
468 1 6 GLN HA 1 6 GLN QG 3.730 . 3.730 2.929 2.393 3.490 . 0 0 "[ . 1 . 2]" 2
469 1 82 GLU QG 1 83 ALA HA 4.680 . 4.680 4.023 3.201 5.140 0.460 19 0 "[ . 1 . 2]" 2
470 1 10 VAL QG 1 21 LEU HB2 3.980 . 3.980 2.336 1.883 3.690 . 0 0 "[ . 1 . 2]" 2
471 1 100 THR HB 1 115 ARG QD 5.460 . 5.460 5.380 4.981 5.612 0.152 18 0 "[ . 1 . 2]" 2
472 1 132 ARG QB 1 132 ARG QD 3.310 . 3.310 2.339 2.086 2.777 . 0 0 "[ . 1 . 2]" 2
473 1 19 MET ME 1 34 ASN HB3 4.650 . 4.650 3.059 2.192 4.395 . 0 0 "[ . 1 . 2]" 2
474 1 31 THR HB 1 33 GLN QG 4.100 . 4.100 2.420 2.024 3.478 . 0 0 "[ . 1 . 2]" 2
475 1 19 MET HB3 1 19 MET ME 3.190 . 3.190 2.406 1.892 3.387 0.197 5 0 "[ . 1 . 2]" 2
476 1 19 MET HB2 1 19 MET ME 3.190 . 3.190 2.370 1.838 3.220 0.030 16 0 "[ . 1 . 2]" 2
477 1 19 MET HB2 1 21 LEU QD 4.860 . 4.860 4.080 3.286 4.903 0.043 11 0 "[ . 1 . 2]" 2
478 1 12 CYS HB2 1 40 PHE QE 5.500 . 5.500 4.400 3.444 5.095 . 0 0 "[ . 1 . 2]" 2
479 1 95 CYS QB 1 99 ARG HA 4.120 . 4.120 3.001 2.659 3.287 . 0 0 "[ . 1 . 2]" 2
480 1 120 PHE QE 1 122 TRP HB2 4.570 . 4.570 3.829 3.370 4.348 . 0 0 "[ . 1 . 2]" 2
481 1 12 CYS HB3 1 17 CYS HB2 4.020 . 4.020 3.274 2.164 3.863 . 0 0 "[ . 1 . 2]" 2
482 1 40 PHE HB2 1 45 LEU HB2 5.120 . 5.120 5.156 4.702 5.394 0.274 10 0 "[ . 1 . 2]" 2
483 1 99 ARG HA 1 99 ARG HD3 4.410 . 4.410 3.421 1.920 4.554 0.144 20 0 "[ . 1 . 2]" 2
484 1 99 ARG HA 1 99 ARG HD2 4.410 . 4.410 3.607 2.032 4.585 0.175 3 0 "[ . 1 . 2]" 2
485 1 40 PHE HB3 1 47 GLY HA2 4.260 . 4.260 3.574 2.675 4.169 . 0 0 "[ . 1 . 2]" 2
486 1 11 LEU QD 1 20 GLY HA3 3.980 . 3.980 3.524 2.975 4.034 0.054 15 0 "[ . 1 . 2]" 2
487 1 9 GLY HA3 1 22 LEU HA 4.790 . 4.790 3.115 2.380 4.007 . 0 0 "[ . 1 . 2]" 2
488 1 92 THR HB 1 101 PRO HB3 4.180 . 4.180 2.843 2.045 3.726 . 0 0 "[ . 1 . 2]" 2
489 1 92 THR HB 1 101 PRO HB2 3.960 . 3.960 2.795 2.216 3.836 . 0 0 "[ . 1 . 2]" 2
490 1 100 THR HB 1 115 ARG QG 4.340 . 4.340 3.585 3.344 3.937 . 0 0 "[ . 1 . 2]" 2
491 1 31 THR HB 1 33 GLN QB 4.340 . 4.340 4.051 3.034 4.457 0.117 8 0 "[ . 1 . 2]" 2
492 1 90 VAL HA 1 90 VAL QG 3.040 . 3.040 2.291 2.124 2.364 . 0 0 "[ . 1 . 2]" 2
493 1 114 THR HA 1 114 THR MG 3.210 . 3.210 2.600 2.224 3.234 0.024 14 0 "[ . 1 . 2]" 2
494 1 87 THR HA 1 87 THR MG 3.230 . 3.230 2.910 2.296 3.231 0.001 16 0 "[ . 1 . 2]" 2
495 1 92 THR HA 1 103 GLU HA 3.720 . 3.720 2.924 2.268 3.790 0.070 5 0 "[ . 1 . 2]" 2
496 1 30 VAL MG1 1 31 THR HA 4.580 . 4.580 4.347 3.608 5.177 0.597 18 1 "[ . 1 . + 2]" 2
497 1 87 THR MG 1 88 ILE HA 4.390 . 4.390 3.940 3.327 4.391 0.001 5 0 "[ . 1 . 2]" 2
498 1 88 ILE HA 1 88 ILE HG12 4.200 . 4.200 3.585 2.573 4.242 0.042 11 0 "[ . 1 . 2]" 2
499 1 23 VAL HA 1 23 VAL MG1 3.360 . 3.360 2.635 2.363 3.234 . 0 0 "[ . 1 . 2]" 2
500 1 22 LEU QB 1 23 VAL HA 4.530 . 4.530 4.508 4.269 4.625 0.095 2 0 "[ . 1 . 2]" 2
501 1 128 THR HA 1 128 THR MG 3.650 . 3.650 2.490 2.194 3.220 . 0 0 "[ . 1 . 2]" 2
502 1 41 CYS HB2 1 48 TYR HA 3.620 . 3.620 2.568 2.290 2.978 . 0 0 "[ . 1 . 2]" 2
503 1 121 GLU HA 1 121 GLU HG3 3.980 . 3.980 3.071 2.454 3.886 . 0 0 "[ . 1 . 2]" 2
504 1 121 GLU HA 1 121 GLU HG2 3.980 . 3.980 3.217 2.497 4.146 0.166 15 0 "[ . 1 . 2]" 2
505 1 122 TRP HA 1 130 TRP HA 4.670 . 4.670 3.926 2.791 4.995 0.325 19 0 "[ . 1 . 2]" 2
506 1 5 LEU HA 1 5 LEU MD2 3.870 . 3.870 3.335 1.845 4.032 0.162 1 0 "[ . 1 . 2]" 2
507 1 79 ARG HA 1 79 ARG HG3 4.230 . 4.230 3.315 2.410 4.264 0.034 20 0 "[ . 1 . 2]" 2
508 1 82 GLU HA 1 83 ALA MB 4.980 . 4.980 4.394 3.939 4.975 . 0 0 "[ . 1 . 2]" 2
509 1 82 GLU HA 1 82 GLU QG 3.840 . 3.840 3.113 2.409 3.537 . 0 0 "[ . 1 . 2]" 2
510 1 115 ARG HA 1 115 ARG QD 3.630 . 3.630 3.003 2.602 3.580 . 0 0 "[ . 1 . 2]" 2
511 1 99 ARG HA 1 99 ARG HG3 4.070 . 4.070 3.072 2.198 3.796 . 0 0 "[ . 1 . 2]" 2
512 1 94 PRO HB2 1 99 ARG HA 3.770 . 3.770 3.163 2.665 3.627 . 0 0 "[ . 1 . 2]" 2
513 1 29 LYS HA 1 30 VAL HB 5.270 . 5.270 4.972 4.499 5.530 0.260 18 0 "[ . 1 . 2]" 2
514 1 41 CYS HA 1 48 TYR HA 3.950 . 3.950 2.208 1.972 2.678 . 0 0 "[ . 1 . 2]" 2
515 1 120 PHE QE 1 129 GLU HA 4.230 . 4.230 2.961 2.189 3.365 . 0 0 "[ . 1 . 2]" 2
516 1 68 TYR HA 1 68 TYR QD 3.890 . 3.890 3.108 2.527 3.765 . 0 0 "[ . 1 . 2]" 2
517 1 123 CYS HA 1 139 TRP HE3 3.740 . 3.740 3.642 2.680 3.981 0.241 12 0 "[ . 1 . 2]" 2
518 1 33 GLN HA 1 33 GLN QG 3.560 . 3.560 2.745 2.408 3.401 . 0 0 "[ . 1 . 2]" 2
519 1 42 ARG HA 1 42 ARG HG3 3.990 . 3.990 3.747 3.615 3.828 . 0 0 "[ . 1 . 2]" 2
520 1 31 THR MG 1 33 GLN HA 3.410 . 3.410 3.270 2.986 3.454 0.044 14 0 "[ . 1 . 2]" 2
521 1 30 VAL MG1 1 42 ARG HA 4.210 . 4.210 2.789 1.895 3.851 . 0 0 "[ . 1 . 2]" 2
522 1 31 THR MG 1 32 CYS HA 4.050 . 4.050 3.990 3.895 4.057 0.007 7 0 "[ . 1 . 2]" 2
523 1 132 ARG HA 1 132 ARG QG 3.870 . 3.870 2.778 2.354 3.360 . 0 0 "[ . 1 . 2]" 2
524 1 42 ARG HA 1 42 ARG QD 4.450 . 4.450 4.257 3.659 4.499 0.049 11 0 "[ . 1 . 2]" 2
525 1 40 PHE HA 1 47 GLY HA2 4.260 . 4.260 2.025 1.913 2.260 . 0 0 "[ . 1 . 2]" 2
526 1 24 GLU HA 1 25 PRO QD 3.150 . 3.150 2.045 1.888 2.178 . 0 0 "[ . 1 . 2]" 2
527 1 71 ASP HA 1 72 PRO QD 2.840 . 2.840 1.978 1.832 2.095 . 0 0 "[ . 1 . 2]" 2
528 1 54 LEU QD 1 55 PRO HD2 4.280 . 4.280 3.177 2.078 4.049 . 0 0 "[ . 1 . 2]" 2
529 1 54 LEU HA 1 55 PRO HD3 3.350 . 3.350 2.129 1.920 2.445 . 0 0 "[ . 1 . 2]" 2
530 1 42 ARG HB2 1 42 ARG QD 3.650 . 3.650 2.403 2.124 2.871 . 0 0 "[ . 1 . 2]" 2
531 1 77 GLU HB2 1 77 GLU QG 2.730 . 2.730 2.279 2.140 2.393 . 0 0 "[ . 1 . 2]" 2
532 1 13 PRO QB 1 45 LEU HB2 4.770 . 4.770 4.442 3.493 4.964 0.194 7 0 "[ . 1 . 2]" 2
533 1 89 LYS HA 1 89 LYS QD 4.320 . 4.320 3.399 1.994 4.444 0.124 18 0 "[ . 1 . 2]" 2
534 1 115 ARG HA 1 115 ARG QG 3.840 . 3.840 2.496 2.330 2.836 . 0 0 "[ . 1 . 2]" 2
535 1 14 GLN QB 1 17 CYS HB3 4.350 . 4.350 3.232 2.372 4.488 0.138 6 0 "[ . 1 . 2]" 2
536 1 30 VAL MG2 1 42 ARG HB3 5.170 . 5.170 3.614 2.121 4.435 . 0 0 "[ . 1 . 2]" 2
537 1 31 THR MG 1 33 GLN QB 3.840 . 3.840 3.717 2.683 4.012 0.172 13 0 "[ . 1 . 2]" 2
538 1 12 CYS HB2 1 17 CYS HB3 4.570 . 4.570 3.605 3.123 4.049 . 0 0 "[ . 1 . 2]" 2
539 1 21 LEU QD 1 32 CYS HB3 4.370 . 4.370 4.080 3.834 4.401 0.031 17 0 "[ . 1 . 2]" 2
540 1 31 THR MG 1 32 CYS HB3 4.560 . 4.560 3.880 3.580 4.212 . 0 0 "[ . 1 . 2]" 2
541 1 31 THR MG 1 32 CYS HB2 4.480 . 4.480 4.307 4.111 4.531 0.051 4 0 "[ . 1 . 2]" 2
542 1 93 LYS HA 1 94 PRO HG3 4.810 . 4.810 4.318 3.919 4.467 . 0 0 "[ . 1 . 2]" 2
543 1 13 PRO QG 1 38 TYR QD 4.540 . 4.540 2.600 1.949 4.526 . 0 0 "[ . 1 . 2]" 2
544 1 21 LEU HG 1 40 PHE QE 4.010 . 4.010 3.170 2.497 3.900 . 0 0 "[ . 1 . 2]" 2
545 1 88 ILE HA 1 88 ILE HG13 4.200 . 4.200 3.334 2.383 4.267 0.067 10 0 "[ . 1 . 2]" 2
546 1 120 PHE HZ 1 129 GLU HB3 4.530 . 4.530 2.787 1.856 4.106 . 0 0 "[ . 1 . 2]" 2
547 1 22 LEU QB 1 22 LEU MD1 3.100 . 3.100 2.258 2.066 2.333 . 0 0 "[ . 1 . 2]" 2
548 1 88 ILE HB 1 88 ILE MD 3.630 . 3.630 2.514 2.335 3.250 . 0 0 "[ . 1 . 2]" 2
549 1 88 ILE HA 1 88 ILE MD 3.930 . 3.930 3.449 2.027 4.157 0.227 9 0 "[ . 1 . 2]" 2
550 1 104 ARG HA 1 111 MET ME 4.200 . 4.200 2.540 1.837 4.170 . 0 0 "[ . 1 . 2]" 2
551 1 111 MET ME 1 124 TRP HE3 3.840 . 3.840 2.329 2.031 2.678 . 0 0 "[ . 1 . 2]" 2
552 1 111 MET HA 1 111 MET ME 4.200 . 4.200 3.471 1.922 4.241 0.041 14 0 "[ . 1 . 2]" 2
553 1 104 ARG HB2 1 111 MET ME 3.920 . 3.920 2.649 1.964 3.434 . 0 0 "[ . 1 . 2]" 2
554 1 111 MET HB2 1 111 MET ME 4.030 . 4.030 3.096 2.034 4.215 0.185 6 0 "[ . 1 . 2]" 2
555 1 104 ARG HB3 1 111 MET ME 3.920 . 3.920 2.751 1.867 3.859 . 0 0 "[ . 1 . 2]" 2
556 1 19 MET ME 1 35 GLY HA3 3.760 . 3.760 2.402 1.846 3.268 . 0 0 "[ . 1 . 2]" 2
557 1 88 ILE HA 1 88 ILE MG 3.330 . 3.330 2.559 2.222 3.225 . 0 0 "[ . 1 . 2]" 2
558 1 50 ILE HB 1 50 ILE MD 3.240 . 3.240 2.648 2.318 3.250 0.010 16 0 "[ . 1 . 2]" 2
559 1 112 VAL MG2 1 121 GLU HG2 4.500 . 4.500 3.533 1.880 4.610 0.110 17 0 "[ . 1 . 2]" 2
560 1 112 VAL MG2 1 121 GLU HG3 4.500 . 4.500 3.625 1.997 4.600 0.100 15 0 "[ . 1 . 2]" 2
561 1 109 MET ME 1 141 GLY HA2 3.680 . 3.680 3.329 2.188 3.924 0.244 11 0 "[ . 1 . 2]" 2
562 1 109 MET ME 1 125 VAL MG1 4.560 . 4.560 4.290 2.783 4.753 0.193 4 0 "[ . 1 . 2]" 2
563 1 112 VAL MG1 1 121 GLU HG3 4.500 . 4.500 3.282 1.870 4.570 0.070 2 0 "[ . 1 . 2]" 2
564 1 100 THR MG 1 115 ARG QD 3.800 . 3.800 3.294 2.881 3.735 . 0 0 "[ . 1 . 2]" 2
565 1 100 THR HA 1 100 THR MG 3.350 . 3.350 2.285 2.196 2.321 . 0 0 "[ . 1 . 2]" 2
566 1 102 THR MG 1 122 TRP HH2 4.730 . 4.730 4.152 3.539 4.792 0.062 2 0 "[ . 1 . 2]" 2
567 1 112 VAL MG1 1 121 GLU HA 4.540 . 4.540 3.059 1.991 4.197 . 0 0 "[ . 1 . 2]" 2
568 1 109 MET ME 1 124 TRP HD1 4.180 . 4.180 3.526 2.328 4.230 0.050 18 0 "[ . 1 . 2]" 2
569 1 23 VAL HA 1 23 VAL MG2 3.360 . 3.360 2.400 2.276 2.498 . 0 0 "[ . 1 . 2]" 2
570 1 30 VAL MG2 1 31 THR HA 4.580 . 4.580 3.711 2.834 5.284 0.704 17 1 "[ . 1 . + 2]" 2
571 1 92 THR MG 1 101 PRO HB3 3.500 . 3.500 3.254 2.851 3.515 0.015 17 0 "[ . 1 . 2]" 2
572 1 92 THR MG 1 101 PRO HB2 3.170 . 3.170 2.291 1.994 3.005 . 0 0 "[ . 1 . 2]" 2
573 1 92 THR MG 1 102 THR HB 4.810 . 4.810 4.864 4.646 4.965 0.155 14 0 "[ . 1 . 2]" 2
574 1 92 THR MG 1 103 GLU HA 3.720 . 3.720 2.384 1.985 3.659 . 0 0 "[ . 1 . 2]" 2
575 1 92 THR HA 1 92 THR MG 3.310 . 3.310 2.233 2.188 2.275 . 0 0 "[ . 1 . 2]" 2
576 1 90 VAL QG 1 92 THR HB 4.330 . 4.330 4.092 3.638 4.524 0.194 10 0 "[ . 1 . 2]" 2
577 1 131 THR HA 1 131 THR MG 3.200 . 3.200 2.461 2.230 3.223 0.023 11 0 "[ . 1 . 2]" 2
578 1 115 ARG QD 1 116 ALA MB 4.270 . 4.270 3.166 2.688 4.339 0.069 15 0 "[ . 1 . 2]" 2
579 1 31 THR HA 1 31 THR MG 3.320 . 3.320 2.415 2.356 2.479 . 0 0 "[ . 1 . 2]" 2
580 1 134 CYS HA 1 137 ALA MB 3.900 . 3.900 2.460 1.925 4.038 0.138 10 0 "[ . 1 . 2]" 2
581 1 125 VAL HA 1 125 VAL MG1 3.750 . 3.750 2.325 2.177 2.441 . 0 0 "[ . 1 . 2]" 2
582 1 11 LEU HA 1 11 LEU QD 3.300 . 3.300 2.450 1.894 3.370 0.070 15 0 "[ . 1 . 2]" 2
583 1 54 LEU HA 1 54 LEU QD 3.280 . 3.280 2.553 1.908 3.402 0.122 3 0 "[ . 1 . 2]" 2
584 1 97 LYS HA 1 97 LYS HG2 3.930 . 3.930 3.190 2.393 3.795 . 0 0 "[ . 1 . 2]" 2
585 1 19 MET HB3 1 21 LEU QD 4.860 . 4.860 3.924 2.841 5.139 0.279 5 0 "[ . 1 . 2]" 2
586 1 12 CYS HB2 1 21 LEU QD 4.170 . 4.170 2.201 1.946 2.531 . 0 0 "[ . 1 . 2]" 2
587 1 12 CYS HA 1 21 LEU QD 4.660 . 4.660 2.935 2.548 3.341 . 0 0 "[ . 1 . 2]" 2
588 1 21 LEU HA 1 21 LEU QD 3.420 . 3.420 1.917 1.878 1.949 . 0 0 "[ . 1 . 2]" 2
589 1 21 LEU QD 1 32 CYS HA 3.620 . 3.620 2.057 1.792 2.430 . 0 0 "[ . 1 . 2]" 2
590 1 21 LEU QD 1 40 PHE QE 4.460 . 4.460 3.283 2.905 3.780 . 0 0 "[ . 1 . 2]" 2
591 1 40 PHE QE 1 45 LEU QD 4.000 . 4.000 3.785 3.041 4.171 0.171 7 0 "[ . 1 . 2]" 2
592 1 30 VAL MG1 1 42 ARG HB3 5.170 . 5.170 2.933 2.140 3.886 . 0 0 "[ . 1 . 2]" 2
593 1 5 LEU HA 1 5 LEU MD1 3.870 . 3.870 3.357 1.844 4.070 0.200 7 0 "[ . 1 . 2]" 2
594 1 22 LEU HA 1 22 LEU MD1 3.660 . 3.660 2.866 2.048 3.752 0.092 15 0 "[ . 1 . 2]" 2
595 1 11 LEU HA 1 21 LEU HG 5.230 . 5.230 4.785 4.077 5.169 . 0 0 "[ . 1 . 2]" 2
596 1 21 LEU HG 1 32 CYS HA 5.500 . 5.500 3.855 3.376 4.293 . 0 0 "[ . 1 . 2]" 2
597 1 12 CYS HA 1 21 LEU HG 4.650 . 4.650 4.113 3.430 4.572 . 0 0 "[ . 1 . 2]" 2
598 1 79 ARG HA 1 79 ARG HG2 4.230 . 4.230 3.150 2.433 4.188 . 0 0 "[ . 1 . 2]" 2
599 1 22 LEU QB 1 22 LEU MD2 3.100 . 3.100 2.320 2.076 2.435 . 0 0 "[ . 1 . 2]" 2
600 1 22 LEU HA 1 22 LEU MD2 3.660 . 3.660 2.332 1.950 3.873 0.213 16 0 "[ . 1 . 2]" 2
601 1 96 PRO HB2 1 120 PHE QE 4.650 . 4.650 3.613 2.145 4.239 . 0 0 "[ . 1 . 2]" 2
602 1 101 PRO HB2 1 102 THR HA 5.050 . 5.050 4.695 4.414 4.814 . 0 0 "[ . 1 . 2]" 2
603 1 94 PRO HB3 1 99 ARG HA 4.150 . 4.150 3.910 3.113 4.237 0.087 15 0 "[ . 1 . 2]" 2
604 1 96 PRO HD2 1 120 PHE QD 4.990 . 4.990 2.932 2.218 3.441 . 0 0 "[ . 1 . 2]" 2
605 1 13 PRO HD2 1 40 PHE QE 4.730 . 4.730 3.568 3.196 4.038 . 0 0 "[ . 1 . 2]" 2
606 1 13 PRO HD3 1 40 PHE QE 4.730 . 4.730 3.296 2.721 3.765 . 0 0 "[ . 1 . 2]" 2
607 1 3 TYR HA 1 4 VAL HB 5.010 . 5.010 4.746 4.296 5.051 0.041 6 0 "[ . 1 . 2]" 2
608 1 80 TRP HA 1 80 TRP HE3 4.270 . 4.270 3.555 2.544 4.389 0.119 7 0 "[ . 1 . 2]" 2
609 1 40 PHE QE 1 42 ARG HA 4.300 . 4.300 4.014 3.184 4.318 0.018 17 0 "[ . 1 . 2]" 2
610 1 32 CYS HA 1 40 PHE QE 5.310 . 5.310 4.219 3.360 4.835 . 0 0 "[ . 1 . 2]" 2
611 1 113 CYS HA 1 114 THR MG 4.510 . 4.510 3.962 3.539 4.340 . 0 0 "[ . 1 . 2]" 2
612 1 120 PHE HA 1 120 PHE QD 3.560 . 3.560 2.696 2.407 3.034 . 0 0 "[ . 1 . 2]" 2
613 1 124 TRP HA 1 124 TRP HZ3 5.500 . 5.500 4.848 4.515 5.215 . 0 0 "[ . 1 . 2]" 2
614 1 122 TRP HZ3 1 124 TRP HA 4.130 . 4.130 3.471 2.603 4.157 0.027 2 0 "[ . 1 . 2]" 2
615 1 80 TRP HA 1 80 TRP HD1 4.430 . 4.430 4.213 3.179 4.578 0.148 1 0 "[ . 1 . 2]" 2
616 1 30 VAL MG2 1 40 PHE QD 4.640 . 4.640 3.521 2.958 4.351 . 0 0 "[ . 1 . 2]" 2
617 1 31 THR MG 1 37 GLY HA2 4.370 . 4.370 2.949 2.558 3.442 . 0 0 "[ . 1 . 2]" 2
618 1 126 CYS HB3 1 128 THR MG 5.090 . 5.090 4.703 4.299 5.117 0.027 13 0 "[ . 1 . 2]" 2
619 1 126 CYS HB2 1 128 THR MG 5.090 . 5.090 3.460 2.836 4.340 . 0 0 "[ . 1 . 2]" 2
620 1 12 CYS HB2 1 21 LEU HG 4.560 . 4.560 4.243 3.915 4.597 0.037 3 0 "[ . 1 . 2]" 2
621 1 12 CYS HB2 1 19 MET ME 4.320 . 4.320 3.753 2.747 4.325 0.005 5 0 "[ . 1 . 2]" 2
622 1 12 CYS HB3 1 19 MET ME 4.710 . 4.710 4.448 3.182 4.918 0.208 5 0 "[ . 1 . 2]" 2
623 1 19 MET ME 1 21 LEU QD 4.190 . 4.190 2.645 1.910 3.518 . 0 0 "[ . 1 . 2]" 2
624 1 24 GLU HG3 1 25 PRO QD 4.530 . 4.530 4.185 3.701 4.570 0.040 18 0 "[ . 1 . 2]" 2
625 1 112 VAL MG2 1 121 GLU HA 4.540 . 4.540 3.686 2.364 4.562 0.022 15 0 "[ . 1 . 2]" 2
626 1 121 GLU HA 1 122 TRP HD1 4.490 . 4.490 3.179 2.875 3.589 . 0 0 "[ . 1 . 2]" 2
627 1 53 CYS HA 1 54 LEU QD 4.810 . 4.810 3.883 2.698 4.977 0.167 1 0 "[ . 1 . 2]" 2
628 1 41 CYS HB3 1 49 HIS HD2 4.320 . 4.320 3.875 3.265 4.348 0.028 8 0 "[ . 1 . 2]" 2
629 1 89 LYS QE 1 89 LYS HG3 3.600 . 3.600 2.775 2.375 3.422 . 0 0 "[ . 1 . 2]" 2
630 1 89 LYS QE 1 89 LYS HG2 3.600 . 3.600 2.714 2.328 3.501 . 0 0 "[ . 1 . 2]" 2
631 1 92 THR MG 1 101 PRO HA 3.910 . 3.910 3.797 3.597 4.011 0.101 7 0 "[ . 1 . 2]" 2
632 1 132 ARG HA 1 135 MET HA 4.250 . 4.250 4.416 4.268 4.598 0.348 20 0 "[ . 1 . 2]" 2
633 1 128 THR HA 1 129 GLU HA 4.440 . 4.440 4.372 4.313 4.432 . 0 0 "[ . 1 . 2]" 2
634 1 123 CYS HA 1 139 TRP HZ3 4.320 . 4.320 2.299 1.860 3.191 . 0 0 "[ . 1 . 2]" 2
635 1 111 MET ME 1 124 TRP HB3 5.500 . 5.500 5.223 4.369 5.590 0.090 8 0 "[ . 1 . 2]" 2
636 1 94 PRO HB3 1 101 PRO HA 5.500 . 5.500 4.440 3.888 4.996 . 0 0 "[ . 1 . 2]" 2
637 1 100 THR HA 1 101 PRO HD2 3.710 . 3.710 2.704 2.216 3.262 . 0 0 "[ . 1 . 2]" 2
638 1 100 THR MG 1 101 PRO HD2 3.850 . 3.850 3.269 2.918 3.665 . 0 0 "[ . 1 . 2]" 2
639 1 96 PRO HD3 1 120 PHE QD 4.990 . 4.990 4.262 3.629 4.746 . 0 0 "[ . 1 . 2]" 2
640 1 92 THR HB 1 103 GLU HA 4.810 . 4.810 4.261 3.772 4.890 0.080 2 0 "[ . 1 . 2]" 2
641 1 9 GLY HA2 1 22 LEU HA 4.790 . 4.790 3.285 2.327 4.353 . 0 0 "[ . 1 . 2]" 2
642 1 9 GLY HA3 1 23 VAL HB 5.500 . 5.500 4.855 3.665 5.547 0.047 20 0 "[ . 1 . 2]" 2
643 1 9 GLY HA2 1 23 VAL HB 5.500 . 5.500 3.542 2.218 5.207 . 0 0 "[ . 1 . 2]" 2
644 1 10 VAL HB 1 21 LEU HB2 5.110 . 5.110 4.282 2.767 5.066 . 0 0 "[ . 1 . 2]" 2
645 1 11 LEU HB3 1 12 CYS HA 5.500 . 5.500 4.812 4.641 5.769 0.269 15 0 "[ . 1 . 2]" 2
646 1 11 LEU HB3 1 18 GLY HA2 5.500 . 5.500 3.252 2.168 4.815 . 0 0 "[ . 1 . 2]" 2
647 1 11 LEU HB2 1 12 CYS HA 5.500 . 5.500 5.317 4.669 5.499 . 0 0 "[ . 1 . 2]" 2
648 1 11 LEU HB2 1 18 GLY HA2 5.500 . 5.500 4.756 3.677 5.548 0.048 11 0 "[ . 1 . 2]" 2
649 1 12 CYS HA 1 13 PRO QB 4.780 . 4.780 4.578 4.458 4.743 . 0 0 "[ . 1 . 2]" 2
650 1 12 CYS HB3 1 17 CYS HB3 3.840 . 3.840 2.209 1.898 2.492 . 0 0 "[ . 1 . 2]" 2
651 1 18 GLY HA3 1 19 MET HA 5.090 . 5.090 4.553 4.475 4.625 . 0 0 "[ . 1 . 2]" 2
652 1 19 MET ME 1 34 ASN HA 4.780 . 4.780 4.264 4.008 4.794 0.014 5 0 "[ . 1 . 2]" 2
653 1 19 MET ME 1 32 CYS HA 5.100 . 5.100 3.751 2.674 5.034 . 0 0 "[ . 1 . 2]" 2
654 1 19 MET ME 1 20 GLY HA3 5.500 . 5.500 5.045 3.929 5.574 0.074 19 0 "[ . 1 . 2]" 2
655 1 24 GLU HG2 1 25 PRO QD 4.530 . 4.530 4.000 3.312 4.597 0.067 3 0 "[ . 1 . 2]" 2
656 1 28 ARG HA 1 28 ARG QG 3.470 . 3.470 2.847 2.250 3.500 0.030 12 0 "[ . 1 . 2]" 2
657 1 29 LYS HA 1 29 LYS QE 3.870 . 3.870 3.062 1.833 3.944 0.074 2 0 "[ . 1 . 2]" 2
658 1 29 LYS HA 1 29 LYS QD 5.120 . 5.120 2.602 1.858 4.230 . 0 0 "[ . 1 . 2]" 2
659 1 29 LYS QD 1 48 TYR QD 5.090 . 5.090 4.164 2.714 5.201 0.111 6 0 "[ . 1 . 2]" 2
660 1 30 VAL MG2 1 40 PHE HB2 5.500 . 5.500 4.941 3.984 5.568 0.068 7 0 "[ . 1 . 2]" 2
661 1 32 CYS HB3 1 40 PHE QE 4.930 . 4.930 4.603 3.707 5.020 0.090 10 0 "[ . 1 . 2]" 2
662 1 40 PHE HA 1 48 TYR HA 4.750 . 4.750 4.207 3.794 4.673 . 0 0 "[ . 1 . 2]" 2
663 1 40 PHE HA 1 41 CYS HA 4.940 . 4.940 4.270 4.185 4.367 . 0 0 "[ . 1 . 2]" 2
664 1 38 TYR QE 1 40 PHE HA 5.280 . 5.280 3.771 2.977 5.011 . 0 0 "[ . 1 . 2]" 2
665 1 40 PHE HB2 1 45 LEU HA 4.620 . 4.620 2.420 2.226 2.581 . 0 0 "[ . 1 . 2]" 2
666 1 40 PHE HB3 1 45 LEU HA 5.070 . 5.070 3.774 3.540 4.014 . 0 0 "[ . 1 . 2]" 2
667 1 30 VAL MG1 1 40 PHE HB2 5.500 . 5.500 4.877 4.173 5.729 0.229 8 0 "[ . 1 . 2]" 2
668 1 40 PHE HB2 1 47 GLY HA2 4.750 . 4.750 3.939 3.146 4.500 . 0 0 "[ . 1 . 2]" 2
669 1 41 CYS HA 1 42 ARG HB3 4.790 . 4.790 4.507 4.388 4.724 . 0 0 "[ . 1 . 2]" 2
670 1 41 CYS HA 1 48 TYR QE 4.710 . 4.710 4.358 3.677 4.842 0.132 12 0 "[ . 1 . 2]" 2
671 1 44 CYS HB2 1 53 CYS HB2 5.500 . 5.500 5.447 4.571 5.744 0.244 19 0 "[ . 1 . 2]" 2
672 1 44 CYS HB3 1 46 GLN HB2 5.290 . 5.290 4.972 3.797 5.342 0.052 7 0 "[ . 1 . 2]" 2
673 1 44 CYS HB2 1 45 LEU HB2 5.390 . 5.390 4.328 4.002 5.420 0.030 13 0 "[ . 1 . 2]" 2
674 1 44 CYS HB3 1 45 LEU HB2 5.500 . 5.500 5.547 4.581 5.740 0.240 19 0 "[ . 1 . 2]" 2
675 1 48 TYR HB3 1 49 HIS HA 5.040 . 5.040 4.597 4.389 4.800 . 0 0 "[ . 1 . 2]" 2
676 1 54 LEU HA 1 55 PRO QG 4.560 . 4.560 3.884 3.678 4.046 . 0 0 "[ . 1 . 2]" 2
677 1 41 CYS HA 1 48 TYR QD 3.550 . 3.550 2.741 1.941 3.595 0.045 12 0 "[ . 1 . 2]" 2
678 1 48 TYR HA 1 48 TYR QD 3.600 . 3.600 2.620 1.786 3.055 . 0 0 "[ . 1 . 2]" 2
679 1 10 VAL QG 1 40 PHE QE 3.670 . 3.670 2.181 1.764 3.025 . 0 0 "[ . 1 . 2]" 2
680 1 30 VAL HB 1 48 TYR QD 5.500 . 5.500 4.952 3.098 5.722 0.222 18 0 "[ . 1 . 2]" 2
681 1 120 PHE HZ 1 129 GLU HB2 4.530 . 4.530 2.860 1.970 3.879 . 0 0 "[ . 1 . 2]" 2
682 1 102 THR HB 1 122 TRP HH2 4.530 . 4.530 3.798 2.615 4.551 0.021 2 0 "[ . 1 . 2]" 2
683 1 124 TRP HD1 1 125 VAL MG1 4.920 . 4.920 3.957 1.863 4.822 . 0 0 "[ . 1 . 2]" 2
684 1 93 LYS HB2 1 122 TRP HH2 3.940 . 3.940 2.820 2.007 3.749 . 0 0 "[ . 1 . 2]" 2
685 1 93 LYS HB3 1 122 TRP HH2 3.940 . 3.940 2.655 1.923 3.946 0.006 7 0 "[ . 1 . 2]" 2
686 1 139 TRP HA 1 139 TRP HE3 3.840 . 3.840 2.970 1.929 3.949 0.109 19 0 "[ . 1 . 2]" 2
687 1 38 TYR QE 1 40 PHE HB2 3.870 . 3.870 3.673 3.166 3.945 0.075 2 0 "[ . 1 . 2]" 2
688 1 38 TYR QE 1 40 PHE HB3 3.740 . 3.740 2.366 1.889 2.777 . 0 0 "[ . 1 . 2]" 2
689 1 29 LYS QE 1 48 TYR QE 3.790 . 3.790 3.463 2.708 3.912 0.122 12 0 "[ . 1 . 2]" 2
690 1 13 PRO QG 1 38 TYR QE 3.460 . 3.460 2.787 1.919 3.470 0.010 7 0 "[ . 1 . 2]" 2
691 1 29 LYS QB 1 48 TYR QE 4.500 . 4.500 4.071 2.945 4.645 0.145 7 0 "[ . 1 . 2]" 2
692 1 102 THR HB 1 122 TRP HZ2 3.420 . 3.420 2.537 2.014 3.045 . 0 0 "[ . 1 . 2]" 2
693 1 102 THR MG 1 122 TRP HZ2 3.570 . 3.570 2.607 2.172 3.584 0.014 2 0 "[ . 1 . 2]" 2
694 1 38 TYR HA 1 38 TYR QD 3.420 . 3.420 2.825 2.437 3.734 0.314 1 0 "[ . 1 . 2]" 2
695 1 40 PHE QD 1 45 LEU HA 3.890 . 3.890 3.325 2.612 3.898 0.008 10 0 "[ . 1 . 2]" 2
696 1 30 VAL MG1 1 40 PHE QD 4.640 . 4.640 3.703 3.044 4.411 . 0 0 "[ . 1 . 2]" 2
697 1 122 TRP HB2 1 122 TRP HE3 4.200 . 4.200 2.479 2.410 2.580 . 0 0 "[ . 1 . 2]" 2
698 1 122 TRP HE3 1 124 TRP HA 4.200 . 4.200 3.828 3.145 4.292 0.092 2 0 "[ . 1 . 2]" 2
699 1 120 PHE QE 1 122 TRP HB3 4.320 . 4.320 2.340 1.943 2.835 . 0 0 "[ . 1 . 2]" 2
700 1 40 PHE QD 1 42 ARG HA 4.290 . 4.290 4.144 3.527 4.403 0.113 14 0 "[ . 1 . 2]" 2
701 1 40 PHE HA 1 40 PHE QD 4.300 . 4.300 3.714 3.691 3.733 . 0 0 "[ . 1 . 2]" 2
702 1 96 PRO HB3 1 120 PHE QE 4.650 . 4.650 4.353 3.484 4.676 0.026 20 0 "[ . 1 . 2]" 2
703 1 68 TYR QE 1 70 VAL QG 4.170 . 4.170 3.041 1.972 4.210 0.040 5 0 "[ . 1 . 2]" 2
704 1 29 LYS QE 1 48 TYR QD 4.260 . 4.260 3.667 3.078 4.390 0.130 16 0 "[ . 1 . 2]" 2
705 1 48 TYR HA 1 49 HIS HD2 4.070 . 4.070 3.427 2.769 4.066 . 0 0 "[ . 1 . 2]" 2
706 1 41 CYS HB2 1 49 HIS HD2 4.060 . 4.060 2.542 1.941 3.235 . 0 0 "[ . 1 . 2]" 2
707 1 120 PHE HZ 1 129 GLU HA 4.100 . 4.100 2.654 1.919 3.999 . 0 0 "[ . 1 . 2]" 2
708 1 13 PRO QB 1 38 TYR QE 5.080 . 5.080 3.819 3.011 4.902 . 0 0 "[ . 1 . 2]" 2
709 1 95 CYS HA 1 122 TRP HZ2 4.400 . 4.400 3.865 3.101 4.474 0.074 6 0 "[ . 1 . 2]" 2
710 1 48 TYR HA 1 49 HIS H 3.560 . 3.560 2.140 2.082 2.352 . 0 0 "[ . 1 . 2]" 2
711 1 32 CYS HA 1 33 GLN HA 4.860 . 4.860 4.557 4.482 4.696 . 0 0 "[ . 1 . 2]" 2
712 1 40 PHE HB3 1 41 CYS H 4.640 . 4.640 3.543 3.403 3.744 . 0 0 "[ . 1 . 2]" 2
713 1 38 TYR H 1 38 TYR HB2 3.750 . 3.750 3.307 2.940 3.898 0.148 1 0 "[ . 1 . 2]" 2
714 1 121 GLU H 1 121 GLU HG3 4.550 . 4.550 2.998 2.179 4.539 . 0 0 "[ . 1 . 2]" 2
715 1 77 GLU QG 1 78 ALA H 4.930 . 4.930 3.699 1.794 4.508 . 0 0 "[ . 1 . 2]" 2
716 1 23 VAL HB 1 24 GLU H 4.670 . 4.670 4.375 4.219 4.572 . 0 0 "[ . 1 . 2]" 2
717 1 112 VAL H 1 112 VAL HB 4.000 . 4.000 3.204 2.546 3.894 . 0 0 "[ . 1 . 2]" 2
718 1 12 CYS HB2 1 19 MET H 4.560 . 4.560 4.168 3.233 4.631 0.071 13 0 "[ . 1 . 2]" 2
719 1 52 GLU H 1 52 GLU HB2 4.000 . 4.000 2.866 2.385 3.762 . 0 0 "[ . 1 . 2]" 2
720 1 17 CYS HB3 1 18 GLY H 3.530 . 3.530 1.792 1.609 2.135 . 0 0 "[ . 1 . 2]" 2
721 1 32 CYS HB2 1 37 GLY H 4.800 . 4.800 4.808 4.427 5.121 0.321 7 0 "[ . 1 . 2]" 2
722 1 32 CYS HB2 1 40 PHE QE 4.390 . 4.390 3.103 2.275 3.666 . 0 0 "[ . 1 . 2]" 2
723 1 115 ARG QG 1 116 ALA H 4.410 . 4.410 3.392 2.523 4.018 . 0 0 "[ . 1 . 2]" 2
724 1 13 PRO QG 1 40 PHE QE 4.780 . 4.780 4.138 3.278 4.789 0.009 13 0 "[ . 1 . 2]" 2
725 1 96 PRO HG3 1 120 PHE QE 4.420 . 4.420 2.909 2.327 4.048 . 0 0 "[ . 1 . 2]" 2
726 1 30 VAL MG1 1 40 PHE QE 4.460 . 4.460 3.597 2.608 4.563 0.103 12 0 "[ . 1 . 2]" 2
727 1 5 LEU H 1 5 LEU MD1 5.320 . 5.320 3.560 1.583 4.878 . 0 0 "[ . 1 . 2]" 2
728 1 22 LEU MD2 1 23 VAL H 4.240 . 4.240 2.851 1.650 4.385 0.145 7 0 "[ . 1 . 2]" 2
729 1 40 PHE QD 1 45 LEU QD 4.140 . 4.140 2.835 2.268 3.230 . 0 0 "[ . 1 . 2]" 2
730 1 23 VAL MG1 1 24 GLU H 4.310 . 4.310 3.481 2.874 4.241 . 0 0 "[ . 1 . 2]" 2
731 1 23 VAL H 1 23 VAL MG1 3.920 . 3.920 3.340 1.876 3.904 . 0 0 "[ . 1 . 2]" 2
732 1 4 VAL H 1 4 VAL MG2 4.060 . 4.060 3.064 2.007 3.989 . 0 0 "[ . 1 . 2]" 2
733 1 30 VAL MG2 1 40 PHE QE 4.460 . 4.460 3.076 2.586 4.531 0.071 17 0 "[ . 1 . 2]" 2
734 1 30 VAL MG2 1 31 THR H 4.430 . 4.430 3.248 2.602 4.271 . 0 0 "[ . 1 . 2]" 2
735 1 23 VAL MG2 1 24 GLU H 4.310 . 4.310 3.946 2.655 4.315 0.005 9 0 "[ . 1 . 2]" 2
736 1 19 MET ME 1 35 GLY H 4.550 . 4.550 2.949 2.443 3.680 . 0 0 "[ . 1 . 2]" 2
737 1 111 MET ME 1 122 TRP HZ2 5.100 . 5.100 4.009 2.743 5.120 0.020 20 0 "[ . 1 . 2]" 2
738 1 111 MET ME 1 124 TRP HH2 4.330 . 4.330 4.329 3.825 4.537 0.207 17 0 "[ . 1 . 2]" 2
739 1 111 MET ME 1 112 VAL H 5.370 . 5.370 4.648 3.459 5.474 0.104 16 0 "[ . 1 . 2]" 2
740 1 68 TYR QD 1 70 VAL QG 4.490 . 4.490 3.374 2.088 4.813 0.323 16 0 "[ . 1 . 2]" 2
741 1 103 GLU HB3 1 104 ARG H 4.540 . 4.540 3.406 2.397 4.355 . 0 0 "[ . 1 . 2]" 2
742 1 125 VAL HB 1 138 HIS HD1 5.150 . 5.150 4.312 2.349 5.271 0.121 2 0 "[ . 1 . 2]" 2
743 1 30 VAL MG2 1 42 ARG HA 4.210 . 4.210 3.237 2.181 4.231 0.021 20 0 "[ . 1 . 2]" 2
744 1 12 CYS HA 1 13 PRO HD3 3.460 . 3.460 2.212 1.802 2.451 . 0 0 "[ . 1 . 2]" 2
745 1 12 CYS HA 1 13 PRO HD2 3.460 . 3.460 2.273 2.061 2.912 . 0 0 "[ . 1 . 2]" 2
746 1 12 CYS HA 1 13 PRO QG 3.820 . 3.820 3.841 3.660 3.918 0.098 20 0 "[ . 1 . 2]" 2
747 1 97 LYS HA 1 97 LYS HG3 3.930 . 3.930 3.199 2.556 3.773 . 0 0 "[ . 1 . 2]" 2
748 1 14 GLN HA 1 15 PRO HD2 3.380 . 3.380 2.249 1.957 2.624 . 0 0 "[ . 1 . 2]" 2
749 1 14 GLN HA 1 15 PRO HD3 3.380 . 3.380 2.198 1.923 2.494 . 0 0 "[ . 1 . 2]" 2
750 1 54 LEU HA 1 55 PRO HD2 3.350 . 3.350 2.474 2.115 3.156 . 0 0 "[ . 1 . 2]" 2
751 1 93 LYS HA 1 94 PRO HD2 3.690 . 3.690 2.335 1.924 2.972 . 0 0 "[ . 1 . 2]" 2
752 1 93 LYS HA 1 94 PRO HD3 3.690 . 3.690 2.240 1.868 2.603 . 0 0 "[ . 1 . 2]" 2
753 1 100 THR HA 1 101 PRO HD3 3.710 . 3.710 2.127 1.848 2.443 . 0 0 "[ . 1 . 2]" 2
754 1 42 ARG HB3 1 42 ARG QD 3.710 . 3.710 2.459 2.278 3.222 . 0 0 "[ . 1 . 2]" 2
755 1 32 CYS HA 1 33 GLN QB 4.940 . 4.940 4.619 4.437 5.080 0.140 6 0 "[ . 1 . 2]" 2
756 1 42 ARG HG3 1 43 ASN HA 3.990 . 3.990 3.858 3.436 4.150 0.160 16 0 "[ . 1 . 2]" 2
757 1 10 VAL HA 1 11 LEU QD 3.930 . 3.930 3.204 2.428 4.107 0.177 9 0 "[ . 1 . 2]" 2
758 1 11 LEU QD 1 20 GLY HA2 3.680 . 3.680 2.468 1.873 3.177 . 0 0 "[ . 1 . 2]" 2
759 1 21 LEU QD 1 32 CYS HB2 4.160 . 4.160 3.110 2.795 3.396 . 0 0 "[ . 1 . 2]" 2
760 1 21 LEU QD 1 34 ASN HB2 5.050 . 5.050 4.021 2.848 4.840 . 0 0 "[ . 1 . 2]" 2
761 1 45 LEU HA 1 45 LEU QD 3.450 . 3.450 2.196 1.801 2.521 . 0 0 "[ . 1 . 2]" 2
762 1 54 LEU QD 1 55 PRO HD3 4.280 . 4.280 3.746 2.785 4.446 0.166 2 0 "[ . 1 . 2]" 2
763 1 23 VAL MG1 1 42 ARG QD 4.530 . 4.530 3.226 2.108 4.606 0.076 16 0 "[ . 1 . 2]" 2
764 1 69 THR HA 1 69 THR MG 3.310 . 3.310 2.852 2.221 3.228 . 0 0 "[ . 1 . 2]" 2
765 1 31 THR MG 1 33 GLN QG 3.700 . 3.700 2.582 2.125 3.749 0.049 7 0 "[ . 1 . 2]" 2
766 1 125 VAL HA 1 125 VAL MG2 3.750 . 3.750 2.588 2.275 3.198 . 0 0 "[ . 1 . 2]" 2
767 1 100 THR MG 1 101 PRO HD3 3.850 . 3.850 3.510 3.073 3.921 0.071 13 0 "[ . 1 . 2]" 2
768 1 98 CYS HA 1 100 THR MG 4.340 . 4.340 4.233 3.938 4.426 0.086 9 0 "[ . 1 . 2]" 2
769 1 10 VAL QG 1 11 LEU HA 3.710 . 3.710 3.470 3.175 3.790 0.080 14 0 "[ . 1 . 2]" 2
770 1 112 VAL MG1 1 121 GLU HG2 4.500 . 4.500 2.940 1.812 4.551 0.051 10 0 "[ . 1 . 2]" 2
771 1 50 ILE HA 1 50 ILE MD 3.640 . 3.640 3.237 2.059 3.838 0.198 9 0 "[ . 1 . 2]" 2
772 1 109 MET ME 1 141 GLY HA3 3.680 . 3.680 2.811 2.002 3.824 0.144 7 0 "[ . 1 . 2]" 2
773 1 19 MET ME 1 35 GLY HA2 3.760 . 3.760 3.389 2.546 3.842 0.082 3 0 "[ . 1 . 2]" 2
774 1 102 THR HB 1 111 MET ME 5.060 . 5.060 4.290 2.838 5.215 0.155 17 0 "[ . 1 . 2]" 2
775 1 19 MET ME 1 34 ASN HB2 4.650 . 4.650 2.996 1.992 4.020 . 0 0 "[ . 1 . 2]" 2
776 1 111 MET HB3 1 111 MET ME 4.030 . 4.030 2.780 1.951 3.935 . 0 0 "[ . 1 . 2]" 2
777 1 77 GLU HB3 1 77 GLU QG 2.730 . 2.730 2.312 2.161 2.438 . 0 0 "[ . 1 . 2]" 2
778 1 52 GLU HA 1 52 GLU QG 3.760 . 3.760 2.665 2.281 3.342 . 0 0 "[ . 1 . 2]" 2
779 1 24 GLU HA 1 24 GLU HG3 4.110 . 4.110 3.457 2.584 3.814 . 0 0 "[ . 1 . 2]" 2
780 1 11 LEU HA 1 20 GLY HA2 4.150 . 4.150 2.895 2.288 3.035 . 0 0 "[ . 1 . 2]" 2
781 1 10 VAL QG 1 42 ARG QD 5.240 . 5.240 5.021 4.373 5.393 0.153 6 0 "[ . 1 . 2]" 2
782 1 10 VAL QG 1 21 LEU H 4.820 . 4.820 3.682 3.116 4.582 . 0 0 "[ . 1 . 2]" 2
783 1 93 LYS HA 1 94 PRO HG2 4.810 . 4.810 4.373 4.101 4.619 . 0 0 "[ . 1 . 2]" 2
784 1 99 ARG HA 1 99 ARG HG2 4.070 . 4.070 3.073 2.274 3.749 . 0 0 "[ . 1 . 2]" 2
785 1 97 LYS HA 1 97 LYS QE 5.230 . 5.230 3.629 1.740 4.825 . 0 0 "[ . 1 . 2]" 2
786 1 95 CYS QB 1 100 THR HB 4.370 . 4.370 4.398 4.044 4.589 0.219 2 0 "[ . 1 . 2]" 2
787 1 95 CYS QB 1 100 THR MG 4.600 . 4.600 3.747 3.631 3.855 . 0 0 "[ . 1 . 2]" 2
788 1 100 THR HA 1 101 PRO HG2 4.610 . 4.610 4.539 4.367 4.645 0.035 4 0 "[ . 1 . 2]" 2
789 1 100 THR HA 1 101 PRO HG3 4.610 . 4.610 4.230 3.888 4.559 . 0 0 "[ . 1 . 2]" 2
790 1 102 THR MG 1 111 MET ME 3.790 . 3.790 3.194 2.331 3.901 0.111 15 0 "[ . 1 . 2]" 2
791 1 95 CYS HA 1 102 THR MG 5.500 . 5.500 5.014 4.528 5.504 0.004 17 0 "[ . 1 . 2]" 2
792 1 109 MET HA 1 109 MET ME 4.840 . 4.840 4.096 2.900 4.698 . 0 0 "[ . 1 . 2]" 2
793 1 109 MET ME 1 125 VAL MG2 4.560 . 4.560 3.188 2.273 4.454 . 0 0 "[ . 1 . 2]" 2
794 1 108 CYS HA 1 109 MET ME 5.500 . 5.500 4.866 3.697 5.606 0.106 15 0 "[ . 1 . 2]" 2
795 1 111 MET ME 1 124 TRP HB2 5.500 . 5.500 3.800 2.989 4.264 . 0 0 "[ . 1 . 2]" 2
796 1 111 MET H 1 111 MET ME 5.280 . 5.280 4.744 4.031 5.364 0.084 16 0 "[ . 1 . 2]" 2
797 1 111 MET ME 1 124 TRP HZ3 3.800 . 3.800 2.570 2.303 3.073 . 0 0 "[ . 1 . 2]" 2
798 1 100 THR MG 1 115 ARG QG 4.290 . 4.290 2.111 1.874 2.494 . 0 0 "[ . 1 . 2]" 2
799 1 115 ARG QD 1 118 CYS HA 5.500 . 5.500 4.919 3.865 5.781 0.281 11 0 "[ . 1 . 2]" 2
800 1 122 TRP HA 1 122 TRP HE3 4.870 . 4.870 4.699 4.578 4.837 . 0 0 "[ . 1 . 2]" 2
801 1 95 CYS QB 1 122 TRP HZ2 4.960 . 4.960 4.576 3.655 4.988 0.028 16 0 "[ . 1 . 2]" 2
802 1 122 TRP HA 1 129 GLU HA 3.900 . 3.900 3.572 2.653 4.056 0.156 17 0 "[ . 1 . 2]" 2
803 1 122 TRP HB3 1 129 GLU HA 4.060 . 4.060 3.223 2.724 4.064 0.004 17 0 "[ . 1 . 2]" 2
804 1 132 ARG HA 1 134 CYS H 4.910 . 4.910 4.443 3.689 4.958 0.048 9 0 "[ . 1 . 2]" 2
805 1 132 ARG HA 1 132 ARG QD 4.770 . 4.770 3.583 1.872 4.527 . 0 0 "[ . 1 . 2]" 2
806 1 5 LEU H 1 5 LEU MD2 5.320 . 5.320 3.200 1.755 4.395 . 0 0 "[ . 1 . 2]" 2
807 1 82 GLU QG 1 83 ALA MB 4.900 . 4.900 3.842 2.509 4.882 . 0 0 "[ . 1 . 2]" 2
808 1 10 VAL HB 1 11 LEU H 4.010 . 4.010 3.475 1.927 3.908 . 0 0 "[ . 1 . 2]" 2
809 1 10 VAL QG 1 42 ARG HA 4.610 . 4.610 2.831 2.086 3.892 . 0 0 "[ . 1 . 2]" 2
810 1 11 LEU H 1 11 LEU HG 4.400 . 4.400 3.822 2.457 4.498 0.098 18 0 "[ . 1 . 2]" 2
811 1 11 LEU QD 1 17 CYS HB3 5.400 . 5.400 5.485 5.227 5.607 0.207 9 0 "[ . 1 . 2]" 2
812 1 11 LEU QD 1 18 GLY HA3 4.920 . 4.920 3.642 2.589 4.439 . 0 0 "[ . 1 . 2]" 2
813 1 12 CYS HA 1 40 PHE QE 4.120 . 4.120 3.343 2.927 4.012 . 0 0 "[ . 1 . 2]" 2
814 1 12 CYS HB3 1 21 LEU QD 4.650 . 4.650 3.446 3.197 3.669 . 0 0 "[ . 1 . 2]" 2
815 1 19 MET ME 1 20 GLY HA2 5.500 . 5.500 5.133 4.296 5.683 0.183 19 0 "[ . 1 . 2]" 2
816 1 11 LEU HA 1 20 GLY HA3 4.630 . 4.630 4.625 4.044 4.753 0.123 18 0 "[ . 1 . 2]" 2
817 1 20 GLY HA2 1 21 LEU QD 4.750 . 4.750 3.342 3.194 3.502 . 0 0 "[ . 1 . 2]" 2
818 1 19 MET HA 1 21 LEU QD 5.500 . 5.500 5.271 4.518 5.472 . 0 0 "[ . 1 . 2]" 2
819 1 21 LEU QD 1 34 ASN HB3 5.050 . 5.050 4.491 3.356 5.171 0.121 16 0 "[ . 1 . 2]" 2
820 1 21 LEU QD 1 40 PHE QD 5.310 . 5.310 4.854 4.519 5.370 0.060 10 0 "[ . 1 . 2]" 2
821 1 23 VAL MG2 1 42 ARG QD 4.530 . 4.530 3.677 2.423 4.637 0.107 19 0 "[ . 1 . 2]" 2
822 1 29 LYS H 1 29 LYS QD 5.500 . 5.500 4.624 4.113 5.244 . 0 0 "[ . 1 . 2]" 2
823 1 31 THR H 1 31 THR MG 4.170 . 4.170 3.945 3.909 3.988 . 0 0 "[ . 1 . 2]" 2
824 1 21 LEU QD 1 33 GLN QG 5.500 . 5.500 4.416 3.919 4.959 . 0 0 "[ . 1 . 2]" 2
825 1 44 CYS HB2 1 46 GLN H 4.670 . 4.670 2.932 2.354 3.261 . 0 0 "[ . 1 . 2]" 2
826 1 44 CYS HB2 1 45 LEU HA 4.740 . 4.740 4.464 4.299 4.547 . 0 0 "[ . 1 . 2]" 2
827 1 44 CYS HB2 1 53 CYS HB3 5.500 . 5.500 4.693 4.066 5.627 0.127 14 0 "[ . 1 . 2]" 2
828 1 104 ARG H 1 104 ARG HD2 5.500 . 5.500 4.352 1.875 5.522 0.022 6 0 "[ . 1 . 2]" 2
829 1 104 ARG H 1 104 ARG HD3 5.500 . 5.500 4.339 1.735 5.808 0.308 16 0 "[ . 1 . 2]" 2
830 1 108 CYS HB3 1 110 HIS H 4.850 . 4.850 3.821 2.803 4.900 0.050 11 0 "[ . 1 . 2]" 2
831 1 109 MET H 1 109 MET ME 5.230 . 5.230 4.248 2.733 4.974 . 0 0 "[ . 1 . 2]" 2
832 1 110 HIS HA 1 110 HIS HD2 4.580 . 4.580 2.943 2.215 4.519 . 0 0 "[ . 1 . 2]" 2
833 1 112 VAL MG2 1 121 GLU H 5.500 . 5.500 5.214 3.244 5.742 0.242 16 0 "[ . 1 . 2]" 2
834 1 112 VAL MG2 1 113 CYS HA 5.500 . 5.500 4.788 3.740 5.658 0.158 4 0 "[ . 1 . 2]" 2
835 1 112 VAL MG1 1 121 GLU H 5.500 . 5.500 4.590 3.865 5.633 0.133 20 0 "[ . 1 . 2]" 2
836 1 112 VAL MG1 1 113 CYS HA 5.500 . 5.500 4.741 3.890 5.654 0.154 17 0 "[ . 1 . 2]" 2
837 1 115 ARG QG 1 118 CYS HA 5.500 . 5.500 5.510 5.009 5.683 0.183 16 0 "[ . 1 . 2]" 2
838 1 98 CYS HA 1 115 ARG QG 5.500 . 5.500 5.498 4.960 5.706 0.206 9 0 "[ . 1 . 2]" 2
839 1 115 ARG QD 1 116 ALA H 5.330 . 5.330 2.381 1.788 3.979 . 0 0 "[ . 1 . 2]" 2
840 1 96 PRO HG3 1 122 TRP HB3 4.670 . 4.670 3.527 2.626 4.534 . 0 0 "[ . 1 . 2]" 2
841 1 96 PRO HG3 1 122 TRP HB2 5.360 . 5.360 3.993 3.002 5.184 . 0 0 "[ . 1 . 2]" 2
842 1 122 TRP HB2 1 130 TRP H 5.500 . 5.500 5.036 3.444 5.571 0.071 7 0 "[ . 1 . 2]" 2
843 1 122 TRP HB2 1 123 CYS HA 4.840 . 4.840 4.710 4.513 4.846 0.006 13 0 "[ . 1 . 2]" 2
844 1 124 TRP HD1 1 125 VAL MG2 4.920 . 4.920 2.717 1.901 4.249 . 0 0 "[ . 1 . 2]" 2
845 1 131 THR HA 1 133 ASP H 4.670 . 4.670 4.210 3.499 4.771 0.101 19 0 "[ . 1 . 2]" 2
846 1 89 LYS HA 1 90 VAL QG 3.890 . 3.890 3.627 3.338 3.999 0.109 13 0 "[ . 1 . 2]" 2
847 1 3 TYR H 1 3 TYR QB 3.260 . 3.260 2.546 2.264 3.240 . 0 0 "[ . 1 . 2]" 2
848 1 3 TYR HA 1 4 VAL QG 5.440 . 5.440 3.667 3.383 4.128 . 0 0 "[ . 1 . 2]" 2
849 1 3 TYR HA 1 5 LEU QD 5.440 . 5.440 4.869 3.322 5.799 0.359 10 0 "[ . 1 . 2]" 2
850 1 3 TYR QB 1 4 VAL H 3.980 . 3.980 3.481 2.188 4.027 0.047 12 0 "[ . 1 . 2]" 2
851 1 3 TYR QB 1 4 VAL QG 4.910 . 4.910 4.446 3.783 4.873 . 0 0 "[ . 1 . 2]" 2
852 1 3 TYR QB 1 5 LEU QD 4.790 . 4.790 3.674 1.866 4.872 0.082 15 0 "[ . 1 . 2]" 2
853 1 3 TYR QD 1 5 LEU QD 4.830 . 4.830 3.555 2.011 4.986 0.156 11 0 "[ . 1 . 2]" 2
854 1 4 VAL H 1 4 VAL QG 3.020 . 3.020 2.226 1.898 3.183 0.163 4 0 "[ . 1 . 2]" 2
855 1 4 VAL HA 1 5 LEU QD 5.440 . 5.440 3.954 2.852 5.542 0.102 4 0 "[ . 1 . 2]" 2
856 1 4 VAL QG 1 5 LEU H 3.330 . 3.330 2.867 1.655 3.443 0.113 4 0 "[ . 1 . 2]" 2
857 1 4 VAL QG 1 5 LEU HA 4.070 . 4.070 3.515 3.089 4.156 0.086 20 0 "[ . 1 . 2]" 2
858 1 5 LEU H 1 5 LEU QB 3.110 . 3.110 2.889 2.360 3.304 0.194 8 0 "[ . 1 . 2]" 2
859 1 5 LEU H 1 5 LEU QD 4.370 . 4.370 2.639 1.576 3.858 . 0 0 "[ . 1 . 2]" 2
860 1 5 LEU HA 1 5 LEU QD 3.240 . 3.240 2.903 1.757 3.428 0.188 20 0 "[ . 1 . 2]" 2
861 1 5 LEU QD 1 6 GLN H 4.360 . 4.360 3.062 1.892 4.231 . 0 0 "[ . 1 . 2]" 2
862 1 5 LEU QD 1 6 GLN HA 3.920 . 3.920 3.649 2.829 4.346 0.426 12 0 "[ . 1 . 2]" 2
863 1 5 LEU QD 1 6 GLN QB 4.300 . 4.300 4.077 2.855 4.669 0.369 6 0 "[ . 1 . 2]" 2
864 1 6 GLN H 1 6 GLN QB 3.430 . 3.430 2.808 2.291 3.291 . 0 0 "[ . 1 . 2]" 2
865 1 9 GLY H 1 22 LEU QD 5.440 . 5.440 4.460 3.471 5.538 0.098 6 0 "[ . 1 . 2]" 2
866 1 9 GLY H 1 23 VAL QG 5.440 . 5.440 4.473 3.361 5.474 0.034 13 0 "[ . 1 . 2]" 2
867 1 9 GLY QA 1 10 VAL QG 4.450 . 4.450 3.409 2.971 3.733 . 0 0 "[ . 1 . 2]" 2
868 1 9 GLY QA 1 22 LEU HA 4.040 . 4.040 2.709 2.224 3.316 . 0 0 "[ . 1 . 2]" 2
869 1 9 GLY QA 1 22 LEU QD 3.840 . 3.840 3.009 2.435 3.869 0.029 15 0 "[ . 1 . 2]" 2
870 1 9 GLY QA 1 23 VAL H 4.330 . 4.330 2.502 2.022 3.372 . 0 0 "[ . 1 . 2]" 2
871 1 9 GLY QA 1 23 VAL HB 4.710 . 4.710 3.428 2.205 4.545 . 0 0 "[ . 1 . 2]" 2
872 1 9 GLY QA 1 23 VAL QG 3.370 . 3.370 2.472 1.845 3.359 . 0 0 "[ . 1 . 2]" 2
873 1 10 VAL H 1 23 VAL QG 3.730 . 3.730 2.758 2.039 3.617 . 0 0 "[ . 1 . 2]" 2
874 1 10 VAL HB 1 23 VAL QG 4.080 . 4.080 2.945 2.047 4.159 0.079 12 0 "[ . 1 . 2]" 2
875 1 10 VAL QG 1 13 PRO QD 4.620 . 4.620 4.254 3.599 4.757 0.137 12 0 "[ . 1 . 2]" 2
876 1 11 LEU H 1 11 LEU QB 2.980 . 2.980 2.593 2.392 3.246 0.266 15 0 "[ . 1 . 2]" 2
877 1 11 LEU QB 1 12 CYS H 3.710 . 3.710 2.699 2.438 2.943 . 0 0 "[ . 1 . 2]" 2
878 1 13 PRO QD 1 14 GLN H 3.850 . 3.850 2.828 2.482 3.121 . 0 0 "[ . 1 . 2]" 2
879 1 13 PRO QD 1 21 LEU HG 5.350 . 5.350 4.900 4.232 5.417 0.067 17 0 "[ . 1 . 2]" 2
880 1 13 PRO QD 1 40 PHE QE 4.140 . 4.140 3.022 2.642 3.326 . 0 0 "[ . 1 . 2]" 2
881 1 13 PRO QD 1 45 LEU QD 4.430 . 4.430 3.236 2.027 3.982 . 0 0 "[ . 1 . 2]" 2
882 1 14 GLN H 1 15 PRO QD 4.450 . 4.450 4.253 4.153 4.405 . 0 0 "[ . 1 . 2]" 2
883 1 19 MET QB 1 19 MET ME 2.770 . 2.770 1.884 1.824 1.972 . 0 0 "[ . 1 . 2]" 2
884 1 19 MET QB 1 21 LEU QD 4.200 . 4.200 3.317 2.799 4.090 . 0 0 "[ . 1 . 2]" 2
885 1 19 MET QB 1 35 GLY QA 4.270 . 4.270 4.106 2.911 4.526 0.256 8 0 "[ . 1 . 2]" 2
886 1 19 MET ME 1 34 ASN QB 3.910 . 3.910 2.434 1.951 3.569 . 0 0 "[ . 1 . 2]" 2
887 1 19 MET ME 1 35 GLY QA 3.290 . 3.290 2.349 1.824 3.076 . 0 0 "[ . 1 . 2]" 2
888 1 21 LEU HB2 1 23 VAL QG 5.440 . 5.440 4.504 3.375 5.528 0.088 3 0 "[ . 1 . 2]" 2
889 1 21 LEU HB2 1 30 VAL QG 4.700 . 4.700 3.965 3.287 4.668 . 0 0 "[ . 1 . 2]" 2
890 1 21 LEU HB3 1 30 VAL QG 4.340 . 4.340 3.110 2.440 4.060 . 0 0 "[ . 1 . 2]" 2
891 1 21 LEU HG 1 30 VAL QG 4.040 . 4.040 3.175 2.556 4.017 . 0 0 "[ . 1 . 2]" 2
892 1 21 LEU QD 1 34 ASN QB 4.330 . 4.330 3.630 2.786 4.138 . 0 0 "[ . 1 . 2]" 2
893 1 22 LEU H 1 22 LEU QD 4.390 . 4.390 3.721 3.623 3.820 . 0 0 "[ . 1 . 2]" 2
894 1 22 LEU HA 1 22 LEU QD 3.000 . 3.000 2.036 1.903 2.685 . 0 0 "[ . 1 . 2]" 2
895 1 22 LEU HA 1 23 VAL QG 4.180 . 4.180 3.607 3.337 3.922 . 0 0 "[ . 1 . 2]" 2
896 1 22 LEU QB 1 23 VAL QG 5.320 . 5.320 4.639 4.378 4.910 . 0 0 "[ . 1 . 2]" 2
897 1 22 LEU QB 1 24 GLU QG 4.790 . 4.790 4.021 2.503 4.868 0.078 19 0 "[ . 1 . 2]" 2
898 1 22 LEU QD 1 23 VAL H 3.600 . 3.600 2.267 1.650 2.687 . 0 0 "[ . 1 . 2]" 2
899 1 22 LEU QD 1 23 VAL HA 4.400 . 4.400 3.549 3.059 4.329 . 0 0 "[ . 1 . 2]" 2
900 1 22 LEU QD 1 24 GLU H 3.770 . 3.770 3.190 1.687 3.864 0.094 16 0 "[ . 1 . 2]" 2
901 1 22 LEU QD 1 24 GLU QB 4.540 . 4.540 3.550 2.053 4.134 . 0 0 "[ . 1 . 2]" 2
902 1 22 LEU QD 1 24 GLU QG 3.830 . 3.830 2.341 1.833 3.749 . 0 0 "[ . 1 . 2]" 2
903 1 22 LEU QD 1 27 CYS QB 4.850 . 4.850 4.564 2.837 5.116 0.266 12 0 "[ . 1 . 2]" 2
904 1 23 VAL H 1 23 VAL QG 3.060 . 3.060 2.377 1.871 2.684 . 0 0 "[ . 1 . 2]" 2
905 1 23 VAL HA 1 23 VAL QG 2.930 . 2.930 2.189 2.128 2.416 . 0 0 "[ . 1 . 2]" 2
906 1 23 VAL HA 1 30 VAL QG 4.760 . 4.760 4.354 3.850 4.892 0.132 7 0 "[ . 1 . 2]" 2
907 1 23 VAL QG 1 24 GLU H 3.640 . 3.640 3.127 2.613 3.472 . 0 0 "[ . 1 . 2]" 2
908 1 23 VAL QG 1 27 CYS H 5.190 . 5.190 4.406 3.623 5.415 0.225 15 0 "[ . 1 . 2]" 2
909 1 23 VAL QG 1 27 CYS QB 3.990 . 3.990 3.168 2.104 4.099 0.109 15 0 "[ . 1 . 2]" 2
910 1 23 VAL QG 1 42 ARG HB3 4.220 . 4.220 3.178 2.733 3.979 . 0 0 "[ . 1 . 2]" 2
911 1 23 VAL QG 1 42 ARG HG3 5.440 . 5.440 3.890 2.956 4.598 . 0 0 "[ . 1 . 2]" 2
912 1 23 VAL QG 1 42 ARG QD 3.600 . 3.600 2.654 2.036 3.147 . 0 0 "[ . 1 . 2]" 2
913 1 24 GLU H 1 24 GLU QB 3.080 . 3.080 2.402 2.231 2.763 . 0 0 "[ . 1 . 2]" 2
914 1 24 GLU H 1 24 GLU QG 3.430 . 3.430 2.517 1.730 2.971 . 0 0 "[ . 1 . 2]" 2
915 1 24 GLU H 1 27 CYS QB 4.370 . 4.370 2.414 1.868 3.417 . 0 0 "[ . 1 . 2]" 2
916 1 24 GLU HA 1 24 GLU QG 3.590 . 3.590 2.711 2.422 3.316 . 0 0 "[ . 1 . 2]" 2
917 1 24 GLU QB 1 25 PRO QD 3.830 . 3.830 2.318 1.972 2.870 . 0 0 "[ . 1 . 2]" 2
918 1 24 GLU QB 1 26 ASP H 3.980 . 3.980 2.528 2.101 3.212 . 0 0 "[ . 1 . 2]" 2
919 1 24 GLU QB 1 27 CYS H 3.690 . 3.690 2.943 2.335 3.490 . 0 0 "[ . 1 . 2]" 2
920 1 24 GLU QB 1 27 CYS QB 3.810 . 3.810 2.454 1.836 3.765 . 0 0 "[ . 1 . 2]" 2
921 1 24 GLU QG 1 25 PRO QD 3.960 . 3.960 3.589 3.206 3.871 . 0 0 "[ . 1 . 2]" 2
922 1 24 GLU QG 1 27 CYS H 5.340 . 5.340 4.540 1.851 5.337 . 0 0 "[ . 1 . 2]" 2
923 1 25 PRO QB 1 26 ASP H 4.040 . 4.040 2.996 2.233 3.552 . 0 0 "[ . 1 . 2]" 2
924 1 25 PRO QG 1 26 ASP H 4.280 . 4.280 3.341 2.419 4.044 . 0 0 "[ . 1 . 2]" 2
925 1 27 CYS QB 1 29 LYS H 4.520 . 4.520 4.132 3.485 4.596 0.076 9 0 "[ . 1 . 2]" 2
926 1 28 ARG HA 1 28 ARG QD 3.940 . 3.940 3.480 2.017 4.078 0.138 3 0 "[ . 1 . 2]" 2
927 1 28 ARG QB 1 28 ARG QD 3.240 . 3.240 2.385 2.068 2.801 . 0 0 "[ . 1 . 2]" 2
928 1 28 ARG QB 1 29 LYS H 4.140 . 4.140 3.327 2.338 4.041 . 0 0 "[ . 1 . 2]" 2
929 1 29 LYS H 1 30 VAL QG 5.310 . 5.310 4.568 3.742 5.175 . 0 0 "[ . 1 . 2]" 2
930 1 29 LYS HA 1 30 VAL QG 4.060 . 4.060 3.451 3.038 3.906 . 0 0 "[ . 1 . 2]" 2
931 1 29 LYS QE 1 30 VAL QG 4.500 . 4.500 4.497 4.002 4.813 0.313 4 0 "[ . 1 . 2]" 2
932 1 30 VAL H 1 30 VAL QG 3.200 . 3.200 1.913 1.677 2.120 . 0 0 "[ . 1 . 2]" 2
933 1 30 VAL QG 1 31 THR H 3.310 . 3.310 2.919 2.565 3.418 0.108 11 0 "[ . 1 . 2]" 2
934 1 30 VAL QG 1 31 THR HA 3.870 . 3.870 3.447 2.821 4.127 0.257 11 0 "[ . 1 . 2]" 2
935 1 30 VAL QG 1 31 THR HB 5.440 . 5.440 4.838 4.628 5.262 . 0 0 "[ . 1 . 2]" 2
936 1 30 VAL QG 1 32 CYS H 5.440 . 5.440 4.626 4.102 5.487 0.047 19 0 "[ . 1 . 2]" 2
937 1 30 VAL QG 1 40 PHE H 3.450 . 3.450 2.672 2.132 3.501 0.051 16 0 "[ . 1 . 2]" 2
938 1 30 VAL QG 1 40 PHE HA 5.040 . 5.040 4.278 3.913 4.793 . 0 0 "[ . 1 . 2]" 2
939 1 30 VAL QG 1 40 PHE HB2 4.710 . 4.710 4.222 3.913 4.538 . 0 0 "[ . 1 . 2]" 2
940 1 30 VAL QG 1 40 PHE HB3 5.430 . 5.430 4.577 4.216 4.959 . 0 0 "[ . 1 . 2]" 2
941 1 30 VAL QG 1 40 PHE QD 4.030 . 4.030 3.131 2.915 3.467 . 0 0 "[ . 1 . 2]" 2
942 1 30 VAL QG 1 40 PHE QE 3.740 . 3.740 2.744 2.477 3.055 . 0 0 "[ . 1 . 2]" 2
943 1 30 VAL QG 1 42 ARG H 3.590 . 3.590 3.327 2.874 3.685 0.095 20 0 "[ . 1 . 2]" 2
944 1 30 VAL QG 1 42 ARG HA 3.450 . 3.450 2.594 1.866 3.424 . 0 0 "[ . 1 . 2]" 2
945 1 30 VAL QG 1 42 ARG HB2 4.180 . 4.180 3.602 2.548 4.253 0.073 13 0 "[ . 1 . 2]" 2
946 1 30 VAL QG 1 42 ARG HB3 4.060 . 4.060 2.711 2.111 3.030 . 0 0 "[ . 1 . 2]" 2
947 1 30 VAL QG 1 42 ARG HG2 4.180 . 4.180 4.073 3.625 4.220 0.040 13 0 "[ . 1 . 2]" 2
948 1 30 VAL QG 1 42 ARG HG3 5.260 . 5.260 4.770 3.952 5.190 . 0 0 "[ . 1 . 2]" 2
949 1 30 VAL QG 1 42 ARG QD 4.140 . 4.140 4.058 3.535 4.295 0.155 1 0 "[ . 1 . 2]" 2
950 1 30 VAL QG 1 48 TYR H 5.390 . 5.390 4.889 4.495 5.283 . 0 0 "[ . 1 . 2]" 2
951 1 30 VAL QG 1 48 TYR HA 4.620 . 4.620 4.283 3.811 4.654 0.034 6 0 "[ . 1 . 2]" 2
952 1 30 VAL QG 1 48 TYR HB2 4.180 . 4.180 3.614 2.981 4.250 0.070 17 0 "[ . 1 . 2]" 2
953 1 30 VAL QG 1 48 TYR QD 4.060 . 4.060 2.586 2.058 3.141 . 0 0 "[ . 1 . 2]" 2
954 1 30 VAL QG 1 48 TYR QE 4.280 . 4.280 2.969 2.283 3.826 . 0 0 "[ . 1 . 2]" 2
955 1 31 THR MG 1 33 GLN QE 5.340 . 5.340 3.859 2.015 4.842 . 0 0 "[ . 1 . 2]" 2
956 1 33 GLN HA 1 33 GLN QE 4.740 . 4.740 3.949 2.198 4.910 0.170 6 0 "[ . 1 . 2]" 2
957 1 34 ASN QB 1 35 GLY H 3.920 . 3.920 3.361 3.059 3.874 . 0 0 "[ . 1 . 2]" 2
958 1 35 GLY QA 1 36 CYS H 3.090 . 3.090 2.194 2.077 2.453 . 0 0 "[ . 1 . 2]" 2
959 1 36 CYS H 1 36 CYS QB 3.580 . 3.580 2.853 2.618 3.166 . 0 0 "[ . 1 . 2]" 2
960 1 36 CYS QB 1 37 GLY H 4.300 . 4.300 2.795 1.656 3.736 . 0 0 "[ . 1 . 2]" 2
961 1 38 TYR H 1 38 TYR QB 3.130 . 3.130 2.733 2.380 3.166 0.036 1 0 "[ . 1 . 2]" 2
962 1 39 VAL H 1 39 VAL QG 4.080 . 4.080 2.042 1.810 2.534 . 0 0 "[ . 1 . 2]" 2
963 1 42 ARG H 1 43 ASN QB 5.200 . 5.200 4.216 3.920 4.710 . 0 0 "[ . 1 . 2]" 2
964 1 43 ASN H 1 43 ASN QB 2.940 . 2.940 2.426 2.335 2.832 . 0 0 "[ . 1 . 2]" 2
965 1 43 ASN QB 1 44 CYS H 3.460 . 3.460 2.955 2.595 3.528 0.068 14 0 "[ . 1 . 2]" 2
966 1 44 CYS HB2 1 46 GLN QG 4.560 . 4.560 2.595 2.170 3.067 . 0 0 "[ . 1 . 2]" 2
967 1 44 CYS HB2 1 53 CYS QB 4.680 . 4.680 4.363 3.966 4.868 0.188 14 0 "[ . 1 . 2]" 2
968 1 44 CYS HB3 1 53 CYS QB 3.890 . 3.890 3.341 2.733 4.273 0.383 10 0 "[ . 1 . 2]" 2
969 1 45 LEU H 1 46 GLN QG 4.250 . 4.250 3.183 2.821 3.509 . 0 0 "[ . 1 . 2]" 2
970 1 46 GLN H 1 46 GLN QG 3.520 . 3.520 2.432 2.272 2.691 . 0 0 "[ . 1 . 2]" 2
971 1 46 GLN HA 1 46 GLN QG 3.610 . 3.610 2.786 2.260 3.055 . 0 0 "[ . 1 . 2]" 2
972 1 51 GLY QA 1 52 GLU H 2.980 . 2.980 2.446 2.114 2.926 . 0 0 "[ . 1 . 2]" 2
973 1 51 GLY QA 1 52 GLU QB 4.610 . 4.610 4.229 3.868 4.678 0.068 8 0 "[ . 1 . 2]" 2
974 1 51 GLY QA 1 52 GLU QG 4.760 . 4.760 3.573 3.144 4.390 . 0 0 "[ . 1 . 2]" 2
975 1 52 GLU H 1 52 GLU QB 3.140 . 3.140 2.661 2.353 3.311 0.171 9 0 "[ . 1 . 2]" 2
976 1 52 GLU QB 1 53 CYS H 3.380 . 3.380 2.827 1.948 3.568 0.188 16 0 "[ . 1 . 2]" 2
977 1 53 CYS H 1 53 CYS QB 3.310 . 3.310 2.771 2.520 3.409 0.099 1 0 "[ . 1 . 2]" 2
978 1 53 CYS HA 1 54 LEU QB 5.340 . 5.340 4.623 3.699 5.443 0.103 11 0 "[ . 1 . 2]" 2
979 1 53 CYS QB 1 54 LEU H 3.190 . 3.190 2.452 1.769 2.967 . 0 0 "[ . 1 . 2]" 2
980 1 53 CYS QB 1 54 LEU QB 4.760 . 4.760 4.279 3.419 4.874 0.114 15 0 "[ . 1 . 2]" 2
981 1 54 LEU H 1 54 LEU QB 2.800 . 2.800 2.566 2.240 3.126 0.326 3 0 "[ . 1 . 2]" 2
982 1 54 LEU H 1 55 PRO QD 4.750 . 4.750 4.213 3.359 4.414 . 0 0 "[ . 1 . 2]" 2
983 1 54 LEU QB 1 55 PRO QD 3.370 . 3.370 2.725 2.095 3.546 0.176 18 0 "[ . 1 . 2]" 2
984 1 54 LEU QD 1 55 PRO QD 3.640 . 3.640 2.994 2.061 3.705 0.065 15 0 "[ . 1 . 2]" 2
985 1 55 PRO QB 1 56 GLU H 3.420 . 3.420 2.391 1.851 3.427 0.007 18 0 "[ . 1 . 2]" 2
986 1 55 PRO QD 1 56 GLU H 4.950 . 4.950 4.653 2.377 4.952 0.002 1 0 "[ . 1 . 2]" 2
987 1 68 TYR H 1 68 TYR QB 3.500 . 3.500 2.878 2.275 3.311 . 0 0 "[ . 1 . 2]" 2
988 1 68 TYR QB 1 69 THR H 4.400 . 4.400 3.281 2.160 3.951 . 0 0 "[ . 1 . 2]" 2
989 1 71 ASP QB 1 72 PRO QD 4.900 . 4.900 2.627 2.125 3.547 . 0 0 "[ . 1 . 2]" 2
990 1 73 ASN H 1 73 ASN QB 3.480 . 3.480 2.633 2.290 3.189 . 0 0 "[ . 1 . 2]" 2
991 1 77 GLU H 1 77 GLU QB 3.430 . 3.430 2.822 2.280 3.309 . 0 0 "[ . 1 . 2]" 2
992 1 79 ARG H 1 79 ARG QB 3.690 . 3.690 2.746 2.249 3.379 . 0 0 "[ . 1 . 2]" 2
993 1 79 ARG H 1 79 ARG QG 4.680 . 4.680 3.226 1.751 4.403 . 0 0 "[ . 1 . 2]" 2
994 1 79 ARG HA 1 79 ARG QG 3.520 . 3.520 2.771 2.378 3.480 . 0 0 "[ . 1 . 2]" 2
995 1 79 ARG QB 1 79 ARG QD 3.330 . 3.330 2.337 2.111 2.790 . 0 0 "[ . 1 . 2]" 2
996 1 80 TRP H 1 80 TRP QB 3.440 . 3.440 2.803 2.325 3.322 . 0 0 "[ . 1 . 2]" 2
997 1 80 TRP QB 1 81 ASP H 4.000 . 4.000 2.848 1.959 3.895 . 0 0 "[ . 1 . 2]" 2
998 1 81 ASP H 1 81 ASP QB 3.440 . 3.440 2.705 2.387 3.169 . 0 0 "[ . 1 . 2]" 2
999 1 82 GLU H 1 82 GLU QB 3.350 . 3.350 2.656 2.237 3.032 . 0 0 "[ . 1 . 2]" 2
1000 1 82 GLU QB 1 83 ALA H 4.250 . 4.250 3.214 2.038 4.008 . 0 0 "[ . 1 . 2]" 2
1001 1 85 ASN QB 1 86 VAL H 4.460 . 4.460 3.328 2.025 4.041 . 0 0 "[ . 1 . 2]" 2
1002 1 86 VAL H 1 86 VAL QG 4.040 . 4.040 2.311 1.873 2.822 . 0 0 "[ . 1 . 2]" 2
1003 1 86 VAL HA 1 86 VAL QG 3.120 . 3.120 2.225 2.134 2.345 . 0 0 "[ . 1 . 2]" 2
1004 1 88 ILE H 1 88 ILE QG 4.080 . 4.080 2.776 1.872 4.121 0.041 18 0 "[ . 1 . 2]" 2
1005 1 88 ILE HA 1 88 ILE QG 3.690 . 3.690 2.998 2.354 3.477 . 0 0 "[ . 1 . 2]" 2
1006 1 88 ILE QG 1 89 LYS H 5.070 . 5.070 3.572 2.240 4.727 . 0 0 "[ . 1 . 2]" 2
1007 1 89 LYS HA 1 89 LYS QG 3.700 . 3.700 2.638 2.320 3.352 . 0 0 "[ . 1 . 2]" 2
1008 1 90 VAL QG 1 93 LYS QE 4.330 . 4.330 4.305 3.877 4.479 0.149 2 0 "[ . 1 . 2]" 2
1009 1 91 SER QB 1 92 THR H 4.060 . 4.060 3.366 2.582 3.869 . 0 0 "[ . 1 . 2]" 2
1010 1 92 THR HA 1 103 GLU QG 5.090 . 5.090 4.145 2.949 5.197 0.107 5 0 "[ . 1 . 2]" 2
1011 1 92 THR MG 1 103 GLU QB 4.840 . 4.840 2.861 1.869 3.825 . 0 0 "[ . 1 . 2]" 2
1012 1 92 THR MG 1 103 GLU QG 3.720 . 3.720 2.572 1.881 3.533 . 0 0 "[ . 1 . 2]" 2
1013 1 93 LYS H 1 93 LYS QD 5.340 . 5.340 3.895 2.216 5.046 . 0 0 "[ . 1 . 2]" 2
1014 1 93 LYS HA 1 94 PRO QG 4.100 . 4.100 3.858 3.696 4.033 . 0 0 "[ . 1 . 2]" 2
1015 1 93 LYS QB 1 94 PRO QD 4.050 . 4.050 3.003 2.242 3.718 . 0 0 "[ . 1 . 2]" 2
1016 1 93 LYS QB 1 102 THR HB 5.250 . 5.250 3.118 2.668 3.668 . 0 0 "[ . 1 . 2]" 2
1017 1 93 LYS QB 1 122 TRP HH2 3.450 . 3.450 2.304 1.871 3.167 . 0 0 "[ . 1 . 2]" 2
1018 1 93 LYS QG 1 94 PRO QD 5.180 . 5.180 3.278 2.110 4.227 . 0 0 "[ . 1 . 2]" 2
1019 1 95 CYS HA 1 96 PRO QD 3.570 . 3.570 1.959 1.819 2.029 . 0 0 "[ . 1 . 2]" 2
1020 1 95 CYS QB 1 96 PRO QD 4.570 . 4.570 3.298 3.216 3.389 . 0 0 "[ . 1 . 2]" 2
1021 1 96 PRO QB 1 120 PHE QD 5.270 . 5.270 4.372 3.457 4.988 . 0 0 "[ . 1 . 2]" 2
1022 1 96 PRO QB 1 120 PHE QE 3.970 . 3.970 3.427 2.126 3.932 . 0 0 "[ . 1 . 2]" 2
1023 1 96 PRO HG2 1 120 PHE QB 4.610 . 4.610 4.347 3.712 4.718 0.108 17 0 "[ . 1 . 2]" 2
1024 1 96 PRO QD 1 97 LYS H 4.240 . 4.240 2.674 2.356 2.879 . 0 0 "[ . 1 . 2]" 2
1025 1 96 PRO QD 1 120 PHE QD 4.300 . 4.300 2.880 2.200 3.349 . 0 0 "[ . 1 . 2]" 2
1026 1 96 PRO QD 1 120 PHE QE 4.870 . 4.870 3.615 3.074 4.309 . 0 0 "[ . 1 . 2]" 2
1027 1 97 LYS H 1 97 LYS QB 3.070 . 3.070 2.395 2.282 2.503 . 0 0 "[ . 1 . 2]" 2
1028 1 97 LYS H 1 97 LYS QG 4.580 . 4.580 3.699 2.622 4.169 . 0 0 "[ . 1 . 2]" 2
1029 1 97 LYS H 1 97 LYS QD 4.310 . 4.310 4.304 3.643 4.554 0.244 11 0 "[ . 1 . 2]" 2
1030 1 97 LYS H 1 120 PHE QB 5.340 . 5.340 4.276 3.726 4.720 . 0 0 "[ . 1 . 2]" 2
1031 1 97 LYS HA 1 97 LYS QG 3.380 . 3.380 2.693 2.345 3.044 . 0 0 "[ . 1 . 2]" 2
1032 1 97 LYS HA 1 97 LYS QD 4.700 . 4.700 2.764 1.986 4.180 . 0 0 "[ . 1 . 2]" 2
1033 1 97 LYS QB 1 98 CYS H 3.400 . 3.400 2.112 1.941 2.257 . 0 0 "[ . 1 . 2]" 2
1034 1 97 LYS QB 1 99 ARG H 5.030 . 5.030 4.010 3.746 4.200 . 0 0 "[ . 1 . 2]" 2
1035 1 97 LYS QB 1 120 PHE QB 3.920 . 3.920 2.742 2.244 3.601 . 0 0 "[ . 1 . 2]" 2
1036 1 97 LYS QD 1 120 PHE QB 4.280 . 4.280 3.442 1.885 4.422 0.142 3 0 "[ . 1 . 2]" 2
1037 1 98 CYS H 1 98 CYS QB 3.640 . 3.640 2.874 2.746 3.042 . 0 0 "[ . 1 . 2]" 2
1038 1 98 CYS QB 1 118 CYS HB2 4.040 . 4.040 3.106 2.449 3.669 . 0 0 "[ . 1 . 2]" 2
1039 1 99 ARG H 1 99 ARG QG 4.190 . 4.190 3.415 2.697 4.483 0.293 14 0 "[ . 1 . 2]" 2
1040 1 99 ARG H 1 99 ARG QD 5.050 . 5.050 3.825 2.210 5.205 0.155 16 0 "[ . 1 . 2]" 2
1041 1 99 ARG HA 1 99 ARG QG 3.200 . 3.200 2.587 2.155 3.025 . 0 0 "[ . 1 . 2]" 2
1042 1 99 ARG QB 1 100 THR MG 4.080 . 4.080 4.143 4.030 4.225 0.145 12 0 "[ . 1 . 2]" 2
1043 1 100 THR H 1 101 PRO QD 4.460 . 4.460 4.389 4.347 4.418 . 0 0 "[ . 1 . 2]" 2
1044 1 100 THR HA 1 101 PRO QD 2.990 . 2.990 2.004 1.825 2.174 . 0 0 "[ . 1 . 2]" 2
1045 1 100 THR HB 1 101 PRO QD 4.690 . 4.690 2.295 1.968 2.754 . 0 0 "[ . 1 . 2]" 2
1046 1 100 THR MG 1 101 PRO QD 3.220 . 3.220 2.950 2.809 3.185 . 0 0 "[ . 1 . 2]" 2
1047 1 100 THR MG 1 115 ARG QB 4.680 . 4.680 3.647 3.168 4.053 . 0 0 "[ . 1 . 2]" 2
1048 1 102 THR MG 1 111 MET QB 5.340 . 5.340 3.739 2.749 5.004 . 0 0 "[ . 1 . 2]" 2
1049 1 103 GLU H 1 103 GLU QG 4.020 . 4.020 3.057 2.145 4.144 0.124 2 0 "[ . 1 . 2]" 2
1050 1 103 GLU HA 1 103 GLU QG 3.610 . 3.610 2.523 2.302 3.353 . 0 0 "[ . 1 . 2]" 2
1051 1 103 GLU QB 1 103 GLU QG 2.210 . 2.210 2.065 1.987 2.087 . 0 0 "[ . 1 . 2]" 2
1052 1 103 GLU QB 1 104 ARG H 3.770 . 3.770 3.144 2.102 3.931 0.161 6 0 "[ . 1 . 2]" 2
1053 1 103 GLU QG 1 104 ARG H 4.350 . 4.350 3.478 2.071 4.307 . 0 0 "[ . 1 . 2]" 2
1054 1 104 ARG H 1 104 ARG QB 3.470 . 3.470 2.659 2.217 2.983 . 0 0 "[ . 1 . 2]" 2
1055 1 104 ARG H 1 104 ARG QG 3.900 . 3.900 2.717 1.869 4.124 0.224 4 0 "[ . 1 . 2]" 2
1056 1 104 ARG QB 1 111 MET QG 4.620 . 4.620 4.491 3.092 4.816 0.196 3 0 "[ . 1 . 2]" 2
1057 1 104 ARG QB 1 111 MET ME 3.350 . 3.350 2.253 1.857 2.914 . 0 0 "[ . 1 . 2]" 2
1058 1 108 CYS QB 1 110 HIS H 4.010 . 4.010 3.014 2.269 3.826 . 0 0 "[ . 1 . 2]" 2
1059 1 109 MET HA 1 124 TRP QB 4.100 . 4.100 2.162 1.828 2.999 . 0 0 "[ . 1 . 2]" 2
1060 1 109 MET QB 1 109 MET ME 3.670 . 3.670 2.962 1.878 3.707 0.037 5 0 "[ . 1 . 2]" 2
1061 1 109 MET QB 1 125 VAL QG 4.040 . 4.040 3.389 2.146 4.312 0.272 14 0 "[ . 1 . 2]" 2
1062 1 109 MET QG 1 124 TRP H 5.220 . 5.220 4.309 2.494 5.244 0.024 10 0 "[ . 1 . 2]" 2
1063 1 109 MET QG 1 124 TRP QB 4.800 . 4.800 3.140 1.958 4.314 . 0 0 "[ . 1 . 2]" 2
1064 1 109 MET QG 1 125 VAL QG 3.890 . 3.890 2.860 2.220 3.824 . 0 0 "[ . 1 . 2]" 2
1065 1 109 MET ME 1 124 TRP QB 5.340 . 5.340 4.690 3.625 5.361 0.021 2 0 "[ . 1 . 2]" 2
1066 1 109 MET ME 1 125 VAL QG 3.320 . 3.320 2.949 2.265 3.441 0.121 6 0 "[ . 1 . 2]" 2
1067 1 110 HIS H 1 110 HIS QB 3.230 . 3.230 2.387 2.204 2.961 . 0 0 "[ . 1 . 2]" 2
1068 1 110 HIS QB 1 111 MET H 4.310 . 4.310 3.795 2.993 3.999 . 0 0 "[ . 1 . 2]" 2
1069 1 110 HIS QB 1 112 VAL QG 4.000 . 4.000 3.621 2.414 4.206 0.206 14 0 "[ . 1 . 2]" 2
1070 1 110 HIS HD2 1 112 VAL QG 4.440 . 4.440 3.189 1.938 4.510 0.070 3 0 "[ . 1 . 2]" 2
1071 1 111 MET H 1 111 MET QB 3.620 . 3.620 2.565 2.225 3.236 . 0 0 "[ . 1 . 2]" 2
1072 1 111 MET HA 1 112 VAL QG 3.810 . 3.810 3.479 3.057 3.851 0.041 2 0 "[ . 1 . 2]" 2
1073 1 111 MET QB 1 111 MET ME 3.490 . 3.490 2.395 1.935 3.614 0.124 6 0 "[ . 1 . 2]" 2
1074 1 111 MET QB 1 112 VAL H 4.290 . 4.290 3.482 2.866 3.963 . 0 0 "[ . 1 . 2]" 2
1075 1 111 MET ME 1 111 MET QG 3.510 . 3.510 2.363 2.164 2.515 . 0 0 "[ . 1 . 2]" 2
1076 1 111 MET QG 1 124 TRP HZ3 4.310 . 4.310 4.163 3.623 4.454 0.144 1 0 "[ . 1 . 2]" 2
1077 1 112 VAL H 1 112 VAL QG 3.290 . 3.290 2.313 2.041 2.672 . 0 0 "[ . 1 . 2]" 2
1078 1 112 VAL QG 1 113 CYS H 3.350 . 3.350 2.861 2.330 3.246 . 0 0 "[ . 1 . 2]" 2
1079 1 112 VAL QG 1 113 CYS HA 4.650 . 4.650 3.908 3.686 4.031 . 0 0 "[ . 1 . 2]" 2
1080 1 112 VAL QG 1 113 CYS QB 5.190 . 5.190 4.009 3.315 4.360 . 0 0 "[ . 1 . 2]" 2
1081 1 112 VAL QG 1 121 GLU HA 3.980 . 3.980 2.731 1.986 3.575 . 0 0 "[ . 1 . 2]" 2
1082 1 112 VAL QG 1 121 GLU QB 4.300 . 4.300 2.597 1.709 3.574 . 0 0 "[ . 1 . 2]" 2
1083 1 112 VAL QG 1 121 GLU QG 3.110 . 3.110 2.224 1.720 3.254 0.144 5 0 "[ . 1 . 2]" 2
1084 1 113 CYS H 1 121 GLU QG 5.010 . 5.010 4.530 3.551 5.118 0.108 5 0 "[ . 1 . 2]" 2
1085 1 113 CYS QB 1 114 THR H 4.250 . 4.250 3.903 3.650 4.000 . 0 0 "[ . 1 . 2]" 2
1086 1 113 CYS QB 1 115 ARG H 5.120 . 5.120 4.421 4.262 4.559 . 0 0 "[ . 1 . 2]" 2
1087 1 113 CYS QB 1 119 GLY H 4.660 . 4.660 3.852 3.092 4.589 . 0 0 "[ . 1 . 2]" 2
1088 1 113 CYS QB 1 120 PHE H 4.430 . 4.430 2.606 2.160 3.038 . 0 0 "[ . 1 . 2]" 2
1089 1 115 ARG H 1 115 ARG QB 2.890 . 2.890 2.532 2.485 2.564 . 0 0 "[ . 1 . 2]" 2
1090 1 115 ARG H 1 119 GLY QA 4.420 . 4.420 3.685 3.178 4.433 0.013 5 0 "[ . 1 . 2]" 2
1091 1 115 ARG QB 1 118 CYS H 4.090 . 4.090 3.090 2.536 3.686 . 0 0 "[ . 1 . 2]" 2
1092 1 115 ARG QB 1 118 CYS HB2 4.370 . 4.370 2.080 1.845 2.293 . 0 0 "[ . 1 . 2]" 2
1093 1 115 ARG QB 1 118 CYS HB3 3.900 . 3.900 1.872 1.765 2.075 . 0 0 "[ . 1 . 2]" 2
1094 1 115 ARG QB 1 119 GLY H 4.600 . 4.600 3.252 2.841 3.934 . 0 0 "[ . 1 . 2]" 2
1095 1 119 GLY H 1 120 PHE QB 5.110 . 5.110 4.195 3.434 4.393 . 0 0 "[ . 1 . 2]" 2
1096 1 120 PHE H 1 120 PHE QB 3.070 . 3.070 2.367 2.189 2.606 . 0 0 "[ . 1 . 2]" 2
1097 1 120 PHE QB 1 121 GLU H 4.480 . 4.480 3.746 3.546 3.887 . 0 0 "[ . 1 . 2]" 2
1098 1 120 PHE HZ 1 129 GLU QB 3.660 . 3.660 2.243 1.842 3.467 . 0 0 "[ . 1 . 2]" 2
1099 1 121 GLU H 1 121 GLU QB 3.370 . 3.370 2.603 2.307 3.137 . 0 0 "[ . 1 . 2]" 2
1100 1 121 GLU H 1 121 GLU QG 3.680 . 3.680 2.697 1.813 3.941 0.261 10 0 "[ . 1 . 2]" 2
1101 1 121 GLU HA 1 121 GLU QG 3.410 . 3.410 2.672 2.415 3.321 . 0 0 "[ . 1 . 2]" 2
1102 1 122 TRP HA 1 130 TRP QB 4.210 . 4.210 3.723 2.980 4.427 0.217 12 0 "[ . 1 . 2]" 2
1103 1 123 CYS H 1 123 CYS QB 3.530 . 3.530 2.387 2.230 2.671 . 0 0 "[ . 1 . 2]" 2
1104 1 123 CYS QB 1 124 TRP H 4.340 . 4.340 3.211 2.631 3.672 . 0 0 "[ . 1 . 2]" 2
1105 1 123 CYS QB 1 139 TRP HE3 3.950 . 3.950 3.699 2.376 4.096 0.146 2 0 "[ . 1 . 2]" 2
1106 1 124 TRP H 1 124 TRP QB 3.360 . 3.360 2.163 2.103 2.245 . 0 0 "[ . 1 . 2]" 2
1107 1 124 TRP QB 1 125 VAL QG 4.630 . 4.630 3.056 2.784 3.202 . 0 0 "[ . 1 . 2]" 2
1108 1 124 TRP HD1 1 125 VAL QG 3.490 . 3.490 2.260 1.855 2.567 . 0 0 "[ . 1 . 2]" 2
1109 1 124 TRP HZ2 1 125 VAL QG 5.040 . 5.040 5.269 5.079 5.349 0.309 4 0 "[ . 1 . 2]" 2
1110 1 125 VAL H 1 125 VAL QG 3.270 . 3.270 2.007 1.736 2.252 . 0 0 "[ . 1 . 2]" 2
1111 1 125 VAL QG 1 138 HIS QB 5.280 . 5.280 3.547 1.913 4.982 . 0 0 "[ . 1 . 2]" 2
1112 1 125 VAL QG 1 138 HIS HE1 4.480 . 4.480 3.587 2.266 4.592 0.112 10 0 "[ . 1 . 2]" 2
1113 1 126 CYS QB 1 128 THR MG 4.340 . 4.340 3.368 2.799 4.064 . 0 0 "[ . 1 . 2]" 2
1114 1 129 GLU H 1 129 GLU QB 3.430 . 3.430 2.509 2.193 3.007 . 0 0 "[ . 1 . 2]" 2
1115 1 129 GLU H 1 129 GLU QG 4.290 . 4.290 2.901 1.907 4.003 . 0 0 "[ . 1 . 2]" 2
1116 1 129 GLU HA 1 129 GLU QG 3.020 . 3.020 2.818 2.344 3.404 0.384 5 0 "[ . 1 . 2]" 2
1117 1 129 GLU QB 1 130 TRP H 4.010 . 4.010 3.064 2.590 3.896 . 0 0 "[ . 1 . 2]" 2
1118 1 129 GLU QB 1 130 TRP QB 4.960 . 4.960 4.550 3.835 5.235 0.275 8 0 "[ . 1 . 2]" 2
1119 1 129 GLU QG 1 130 TRP H 4.340 . 4.340 3.488 2.227 4.183 . 0 0 "[ . 1 . 2]" 2
1120 1 132 ARG HA 1 135 MET QB 3.860 . 3.860 2.154 1.838 3.997 0.137 10 0 "[ . 1 . 2]" 2
1121 1 133 ASP QB 1 134 CYS H 3.670 . 3.670 2.609 2.088 3.715 0.045 11 0 "[ . 1 . 2]" 2
1122 1 134 CYS H 1 134 CYS QB 3.600 . 3.600 2.419 2.214 2.859 . 0 0 "[ . 1 . 2]" 2
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