NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
521358 |
2l48   |
17233 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l48
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 2527
_Distance_constraint_stats_list.Viol_count 2766
_Distance_constraint_stats_list.Viol_total 3000.200
_Distance_constraint_stats_list.Viol_max 0.523
_Distance_constraint_stats_list.Viol_rms 0.0167
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0030
_Distance_constraint_stats_list.Viol_average_violations_only 0.0542
_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 3 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 LYS 0.174 0.082 17 0 "[ . 1 . 2]"
1 6 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 THR 0.311 0.137 12 0 "[ . 1 . 2]"
1 14 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 SER 0.311 0.137 12 0 "[ . 1 . 2]"
1 16 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 THR 0.749 0.140 12 0 "[ . 1 . 2]"
1 18 LYS 3.398 0.159 13 0 "[ . 1 . 2]"
1 19 GLN 1.622 0.124 10 0 "[ . 1 . 2]"
1 20 ASN 2.434 0.119 15 0 "[ . 1 . 2]"
1 21 ILE 1.604 0.159 13 0 "[ . 1 . 2]"
1 22 ILE 1.429 0.127 17 0 "[ . 1 . 2]"
1 23 GLN 5.014 0.155 7 0 "[ . 1 . 2]"
1 24 SER 1.189 0.117 18 0 "[ . 1 . 2]"
1 25 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 PHE 0.475 0.060 6 0 "[ . 1 . 2]"
1 28 SER 0.409 0.045 2 0 "[ . 1 . 2]"
1 29 PRO 0.792 0.056 6 0 "[ . 1 . 2]"
1 30 TYR 1.634 0.106 18 0 "[ . 1 . 2]"
1 31 GLU 1.363 0.053 15 0 "[ . 1 . 2]"
1 32 THR 0.894 0.049 16 0 "[ . 1 . 2]"
1 33 PRO 1.768 0.106 18 0 "[ . 1 . 2]"
1 34 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 VAL 1.717 0.068 18 0 "[ . 1 . 2]"
1 36 MET 6.229 0.523 14 1 "[ . 1 +. 2]"
1 37 GLY 0.174 0.029 16 0 "[ . 1 . 2]"
1 38 ALA 0.921 0.074 11 0 "[ . 1 . 2]"
1 39 LEU 2.915 0.269 9 0 "[ . 1 . 2]"
1 40 THR 1.111 0.062 3 0 "[ . 1 . 2]"
1 41 SER 0.907 0.058 2 0 "[ . 1 . 2]"
1 42 LEU 1.093 0.058 2 0 "[ . 1 . 2]"
1 43 LYS 3.283 0.195 9 0 "[ . 1 . 2]"
1 44 MET 2.458 0.142 17 0 "[ . 1 . 2]"
1 45 THR 2.236 0.269 9 0 "[ . 1 . 2]"
1 46 ALA 1.494 0.089 12 0 "[ . 1 . 2]"
1 47 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 PHE 0.011 0.011 18 0 "[ . 1 . 2]"
1 49 ILE 0.083 0.021 16 0 "[ . 1 . 2]"
1 50 LEU 2.336 0.094 11 0 "[ . 1 . 2]"
1 51 GLN 3.931 0.167 17 0 "[ . 1 . 2]"
1 52 SER 2.412 0.167 17 0 "[ . 1 . 2]"
1 53 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLY 0.792 0.079 4 0 "[ . 1 . 2]"
1 55 LEU 0.480 0.055 1 0 "[ . 1 . 2]"
1 56 THR 0.083 0.021 16 0 "[ . 1 . 2]"
1 57 TYR 1.885 0.086 10 0 "[ . 1 . 2]"
1 58 PHE 0.631 0.124 3 0 "[ . 1 . 2]"
1 59 ILE 0.676 0.063 13 0 "[ . 1 . 2]"
1 60 SER 1.061 0.068 20 0 "[ . 1 . 2]"
1 61 LYS 0.081 0.025 1 0 "[ . 1 . 2]"
1 62 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 THR 0.216 0.048 10 0 "[ . 1 . 2]"
1 64 SER 0.936 0.119 15 0 "[ . 1 . 2]"
1 65 ASP 1.535 0.119 12 0 "[ . 1 . 2]"
1 66 ALA 2.238 0.153 3 0 "[ . 1 . 2]"
1 67 GLN 2.241 0.179 1 0 "[ . 1 . 2]"
1 68 LEU 1.457 0.109 11 0 "[ . 1 . 2]"
1 69 LYS 5.122 0.204 10 0 "[ . 1 . 2]"
1 70 ALA 0.301 0.120 1 0 "[ . 1 . 2]"
1 71 MET 5.038 0.239 6 0 "[ . 1 . 2]"
1 72 LYS 3.818 0.209 18 0 "[ . 1 . 2]"
1 73 GLU 2.337 0.262 13 0 "[ . 1 . 2]"
1 74 TYR 7.181 0.161 10 0 "[ . 1 . 2]"
1 75 LEU 1.411 0.103 19 0 "[ . 1 . 2]"
1 76 ASP 1.482 0.104 5 0 "[ . 1 . 2]"
1 77 ARG 2.206 0.163 6 0 "[ . 1 . 2]"
1 78 LYS 13.031 0.181 10 0 "[ . 1 . 2]"
1 79 GLY 0.525 0.060 4 0 "[ . 1 . 2]"
1 80 TRP 5.777 0.181 10 0 "[ . 1 . 2]"
1 81 TRP 4.140 0.140 12 0 "[ . 1 . 2]"
1 82 TYR 1.327 0.072 13 0 "[ . 1 . 2]"
1 83 GLU 5.125 0.155 7 0 "[ . 1 . 2]"
1 84 VAL 1.542 0.189 6 0 "[ . 1 . 2]"
1 85 LYS 6.746 0.189 6 0 "[ . 1 . 2]"
2 3 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 LYS 0.312 0.110 19 0 "[ . 1 . 2]"
2 6 VAL 0.002 0.002 8 0 "[ . 1 . 2]"
2 11 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 13 THR 0.410 0.161 12 0 "[ . 1 . 2]"
2 14 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 15 SER 0.410 0.161 12 0 "[ . 1 . 2]"
2 16 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 17 THR 0.826 0.267 12 0 "[ . 1 . 2]"
2 18 LYS 2.633 0.267 12 0 "[ . 1 . 2]"
2 19 GLN 1.720 0.179 16 0 "[ . 1 . 2]"
2 20 ASN 1.612 0.106 8 0 "[ . 1 . 2]"
2 21 ILE 1.360 0.137 8 0 "[ . 1 . 2]"
2 22 ILE 1.612 0.140 10 0 "[ . 1 . 2]"
2 23 GLN 4.637 0.139 19 0 "[ . 1 . 2]"
2 24 SER 0.875 0.075 3 0 "[ . 1 . 2]"
2 25 GLY 0.006 0.006 16 0 "[ . 1 . 2]"
2 26 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 27 PHE 0.539 0.056 4 0 "[ . 1 . 2]"
2 28 SER 0.311 0.028 2 0 "[ . 1 . 2]"
2 29 PRO 0.606 0.052 1 0 "[ . 1 . 2]"
2 30 TYR 1.630 0.106 20 0 "[ . 1 . 2]"
2 31 GLU 1.495 0.062 11 0 "[ . 1 . 2]"
2 32 THR 0.934 0.064 17 0 "[ . 1 . 2]"
2 33 PRO 1.826 0.106 20 0 "[ . 1 . 2]"
2 34 ASP 0.078 0.064 17 0 "[ . 1 . 2]"
2 35 VAL 1.718 0.077 19 0 "[ . 1 . 2]"
2 36 MET 6.152 0.523 14 1 "[ . 1 +. 2]"
2 37 GLY 0.098 0.035 7 0 "[ . 1 . 2]"
2 38 ALA 0.889 0.071 3 0 "[ . 1 . 2]"
2 39 LEU 2.404 0.119 5 0 "[ . 1 . 2]"
2 40 THR 0.810 0.063 1 0 "[ . 1 . 2]"
2 41 SER 0.855 0.059 11 0 "[ . 1 . 2]"
2 42 LEU 1.134 0.059 11 0 "[ . 1 . 2]"
2 43 LYS 2.894 0.168 3 0 "[ . 1 . 2]"
2 44 MET 2.657 0.168 3 0 "[ . 1 . 2]"
2 45 THR 1.788 0.119 5 0 "[ . 1 . 2]"
2 46 ALA 1.436 0.080 9 0 "[ . 1 . 2]"
2 47 ASP 0.004 0.004 2 0 "[ . 1 . 2]"
2 48 PHE 0.088 0.055 20 0 "[ . 1 . 2]"
2 49 ILE 0.032 0.010 14 0 "[ . 1 . 2]"
2 50 LEU 2.323 0.095 5 0 "[ . 1 . 2]"
2 51 GLN 3.813 0.149 10 0 "[ . 1 . 2]"
2 52 SER 2.070 0.149 10 0 "[ . 1 . 2]"
2 53 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 54 GLY 0.854 0.108 8 0 "[ . 1 . 2]"
2 55 LEU 0.595 0.052 1 0 "[ . 1 . 2]"
2 56 THR 0.032 0.010 14 0 "[ . 1 . 2]"
2 57 TYR 1.961 0.084 1 0 "[ . 1 . 2]"
2 58 PHE 0.157 0.052 20 0 "[ . 1 . 2]"
2 59 ILE 0.687 0.062 18 0 "[ . 1 . 2]"
2 60 SER 1.036 0.068 16 0 "[ . 1 . 2]"
2 61 LYS 0.061 0.023 18 0 "[ . 1 . 2]"
2 62 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 63 THR 0.295 0.059 19 0 "[ . 1 . 2]"
2 64 SER 1.132 0.106 8 0 "[ . 1 . 2]"
2 65 ASP 1.782 0.137 12 0 "[ . 1 . 2]"
2 66 ALA 2.427 0.145 20 0 "[ . 1 . 2]"
2 67 GLN 1.831 0.116 3 0 "[ . 1 . 2]"
2 68 LEU 1.533 0.120 4 0 "[ . 1 . 2]"
2 69 LYS 4.120 0.145 20 0 "[ . 1 . 2]"
2 70 ALA 0.495 0.132 1 0 "[ . 1 . 2]"
2 71 MET 5.270 0.233 6 0 "[ . 1 . 2]"
2 72 LYS 3.902 0.207 3 0 "[ . 1 . 2]"
2 73 GLU 2.018 0.134 12 0 "[ . 1 . 2]"
2 74 TYR 7.472 0.181 17 0 "[ . 1 . 2]"
2 75 LEU 1.237 0.096 20 0 "[ . 1 . 2]"
2 76 ASP 1.377 0.100 16 0 "[ . 1 . 2]"
2 77 ARG 2.320 0.181 17 0 "[ . 1 . 2]"
2 78 LYS 12.813 0.192 15 0 "[ . 1 . 2]"
2 79 GLY 0.663 0.060 11 0 "[ . 1 . 2]"
2 80 TRP 5.422 0.192 15 0 "[ . 1 . 2]"
2 81 TRP 3.852 0.135 15 0 "[ . 1 . 2]"
2 82 TYR 1.328 0.085 14 0 "[ . 1 . 2]"
2 83 GLU 4.798 0.135 15 0 "[ . 1 . 2]"
2 84 VAL 1.812 0.204 13 0 "[ . 1 . 2]"
2 85 LYS 7.284 0.204 13 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 3 ILE H 1 3 ILE HG12 . . 5.500 3.089 2.009 4.872 . 0 0 "[ . 1 . 2]" 1
2 1 5 LYS HA 1 5 LYS QE . . 5.500 4.354 1.821 5.433 . 0 0 "[ . 1 . 2]" 1
3 1 5 LYS HA 1 6 VAL H . . 3.540 2.575 2.028 3.519 . 0 0 "[ . 1 . 2]" 1
4 1 5 LYS QB 1 5 LYS QD . . 2.410 2.256 2.076 2.420 0.010 9 0 "[ . 1 . 2]" 1
5 1 5 LYS QB 1 5 LYS QE . . 3.740 3.223 1.921 3.822 0.082 17 0 "[ . 1 . 2]" 1
6 1 5 LYS QB 1 6 VAL H . . 5.060 3.259 1.741 3.996 . 0 0 "[ . 1 . 2]" 1
7 1 5 LYS QD 1 5 LYS QG . . 2.400 2.067 2.006 2.095 . 0 0 "[ . 1 . 2]" 1
8 1 5 LYS QE 1 5 LYS QG . . 3.240 2.298 2.094 2.793 . 0 0 "[ . 1 . 2]" 1
9 1 5 LYS QG 1 6 VAL H . . 5.500 4.002 2.754 4.768 . 0 0 "[ . 1 . 2]" 1
10 1 11 VAL HB 1 12 ALA H . . 5.420 3.680 2.465 4.433 . 0 0 "[ . 1 . 2]" 1
11 1 12 ALA H 1 13 THR H . . 4.710 3.856 2.230 4.615 . 0 0 "[ . 1 . 2]" 1
12 1 12 ALA HA 1 13 THR H . . 3.550 2.507 2.064 3.547 . 0 0 "[ . 1 . 2]" 1
13 1 12 ALA MB 1 13 THR H . . 5.060 2.809 1.807 3.574 . 0 0 "[ . 1 . 2]" 1
14 1 13 THR HB 1 15 SER H . . 4.950 4.457 2.923 5.087 0.137 12 0 "[ . 1 . 2]" 1
15 1 14 THR H 1 15 SER H . . 5.300 3.196 1.860 4.340 . 0 0 "[ . 1 . 2]" 1
16 1 16 PRO HA 1 17 THR H . . 3.320 2.253 2.152 2.378 . 0 0 "[ . 1 . 2]" 1
17 1 17 THR H 1 17 THR HB . . 3.900 3.437 2.511 3.981 0.081 1 0 "[ . 1 . 2]" 1
18 1 17 THR HA 1 18 LYS H . . 2.870 2.445 2.082 3.010 0.140 12 0 "[ . 1 . 2]" 1
19 1 17 THR HA 1 18 LYS QB . . 5.200 4.605 4.260 5.007 . 0 0 "[ . 1 . 2]" 1
20 1 17 THR HB 1 18 LYS H . . 3.760 3.431 2.211 3.861 0.101 20 0 "[ . 1 . 2]" 1
21 1 18 LYS H 1 18 LYS HB2 . . 4.200 3.809 3.567 4.146 . 0 0 "[ . 1 . 2]" 1
22 1 18 LYS H 1 18 LYS QB . . 3.660 2.963 2.480 3.423 . 0 0 "[ . 1 . 2]" 1
23 1 18 LYS H 1 18 LYS HB3 . . 4.200 3.105 2.528 3.707 . 0 0 "[ . 1 . 2]" 1
24 1 18 LYS H 1 18 LYS QD . . 4.320 3.322 1.756 4.333 0.013 14 0 "[ . 1 . 2]" 1
25 1 18 LYS H 1 18 LYS QE . . 5.470 4.570 3.834 5.371 . 0 0 "[ . 1 . 2]" 1
26 1 18 LYS H 1 18 LYS QG . . 3.670 2.560 1.920 3.433 . 0 0 "[ . 1 . 2]" 1
27 1 18 LYS H 1 19 GLN H . . 4.900 4.349 4.092 4.629 . 0 0 "[ . 1 . 2]" 1
28 1 18 LYS H 1 20 ASN H . . 5.490 5.077 4.616 5.496 0.006 4 0 "[ . 1 . 2]" 1
29 1 18 LYS HA 1 18 LYS QE . . 5.500 4.825 4.211 5.468 . 0 0 "[ . 1 . 2]" 1
30 1 18 LYS HA 1 19 GLN HG2 . . 4.890 4.903 4.820 4.939 0.049 9 0 "[ . 1 . 2]" 1
31 1 18 LYS HA 1 19 GLN HG3 . . 4.890 3.632 3.470 3.932 . 0 0 "[ . 1 . 2]" 1
32 1 18 LYS HA 1 20 ASN H . . 4.370 3.745 3.182 4.284 . 0 0 "[ . 1 . 2]" 1
33 1 18 LYS QB 1 18 LYS QD . . 2.830 2.402 2.046 2.624 . 0 0 "[ . 1 . 2]" 1
34 1 18 LYS QB 1 18 LYS QE . . 3.870 2.671 1.983 3.517 . 0 0 "[ . 1 . 2]" 1
35 1 18 LYS QB 1 20 ASN H . . 3.750 2.490 2.083 2.669 . 0 0 "[ . 1 . 2]" 1
36 1 18 LYS QB 1 20 ASN HA . . 5.340 3.598 3.187 4.148 . 0 0 "[ . 1 . 2]" 1
37 1 18 LYS QB 1 21 ILE H . . 4.460 4.381 3.905 4.619 0.159 13 0 "[ . 1 . 2]" 1
38 1 18 LYS HB2 1 18 LYS QD . . 3.400 3.094 2.335 3.456 0.056 3 0 "[ . 1 . 2]" 1
39 1 18 LYS HB2 1 19 GLN H . . 4.920 2.714 2.053 3.308 . 0 0 "[ . 1 . 2]" 1
40 1 18 LYS HB2 1 20 ASN H . . 4.540 2.511 2.094 2.704 . 0 0 "[ . 1 . 2]" 1
41 1 18 LYS HB3 1 18 LYS QD . . 3.400 2.533 2.262 2.963 . 0 0 "[ . 1 . 2]" 1
42 1 18 LYS HB3 1 19 GLN H . . 4.920 3.862 3.547 4.182 . 0 0 "[ . 1 . 2]" 1
43 1 18 LYS HB3 1 20 ASN H . . 4.540 4.145 3.729 4.332 . 0 0 "[ . 1 . 2]" 1
44 1 18 LYS QD 1 18 LYS HG2 . . 2.450 2.201 2.114 2.392 . 0 0 "[ . 1 . 2]" 1
45 1 18 LYS QD 1 18 LYS HG3 . . 2.450 2.353 2.166 2.460 0.010 20 0 "[ . 1 . 2]" 1
46 1 18 LYS QD 1 20 ASN H . . 4.880 4.412 3.324 4.957 0.077 13 0 "[ . 1 . 2]" 1
47 1 18 LYS QD 1 65 ASP H . . 5.500 5.045 4.242 5.619 0.119 12 0 "[ . 1 . 2]" 1
48 1 18 LYS QD 1 65 ASP QB . . 5.500 3.010 2.210 3.715 . 0 0 "[ . 1 . 2]" 1
49 1 18 LYS QE 1 18 LYS QG . . 3.250 2.379 2.090 2.825 . 0 0 "[ . 1 . 2]" 1
50 1 18 LYS QE 1 20 ASN HD21 . . 5.500 3.489 2.221 4.747 . 0 0 "[ . 1 . 2]" 1
51 1 18 LYS QE 1 65 ASP H . . 5.500 5.195 4.279 5.596 0.096 18 0 "[ . 1 . 2]" 1
52 1 18 LYS QE 1 65 ASP HA . . 5.500 3.849 3.272 4.712 . 0 0 "[ . 1 . 2]" 1
53 1 18 LYS QE 1 68 LEU HG . . 5.500 4.605 2.700 5.571 0.071 17 0 "[ . 1 . 2]" 1
54 1 18 LYS QG 1 19 GLN H . . 5.340 3.742 2.972 4.252 . 0 0 "[ . 1 . 2]" 1
55 1 18 LYS QG 1 20 ASN H . . 4.340 2.910 1.952 3.720 . 0 0 "[ . 1 . 2]" 1
56 1 18 LYS QG 1 20 ASN HA . . 5.160 3.356 2.471 4.176 . 0 0 "[ . 1 . 2]" 1
57 1 18 LYS QG 1 20 ASN QB . . 4.520 3.932 3.397 4.525 0.005 10 0 "[ . 1 . 2]" 1
58 1 18 LYS QG 1 65 ASP QB . . 4.610 4.068 3.380 4.630 0.020 6 0 "[ . 1 . 2]" 1
59 1 19 GLN H 1 19 GLN HG2 . . 4.830 3.518 3.337 3.761 . 0 0 "[ . 1 . 2]" 1
60 1 19 GLN H 1 19 GLN HG3 . . 4.830 2.298 2.125 2.604 . 0 0 "[ . 1 . 2]" 1
61 1 19 GLN H 1 20 ASN H . . 4.130 2.312 2.040 2.557 . 0 0 "[ . 1 . 2]" 1
62 1 19 GLN H 1 21 ILE H . . 5.460 3.915 3.543 4.314 . 0 0 "[ . 1 . 2]" 1
63 1 19 GLN H 1 85 LYS HA . . 4.340 4.105 3.614 4.416 0.076 4 0 "[ . 1 . 2]" 1
64 1 19 GLN HA 1 19 GLN HG2 . . 4.020 2.593 2.520 2.695 . 0 0 "[ . 1 . 2]" 1
65 1 19 GLN HA 1 19 GLN QG . . 3.450 2.464 2.403 2.565 . 0 0 "[ . 1 . 2]" 1
66 1 19 GLN HA 1 19 GLN HG3 . . 4.020 3.080 2.929 3.217 . 0 0 "[ . 1 . 2]" 1
67 1 19 GLN QB 1 21 ILE H . . 5.160 2.907 2.579 3.509 . 0 0 "[ . 1 . 2]" 1
68 1 19 GLN QB 1 85 LYS QB . . 5.060 2.396 1.852 2.985 . 0 0 "[ . 1 . 2]" 1
69 1 19 GLN HB2 1 85 LYS HA . . 5.500 3.891 3.699 4.026 . 0 0 "[ . 1 . 2]" 1
70 1 19 GLN HB3 1 85 LYS HA . . 5.500 5.527 5.274 5.624 0.124 10 0 "[ . 1 . 2]" 1
71 1 19 GLN HE21 1 85 LYS HA . . 5.500 3.944 3.339 4.334 . 0 0 "[ . 1 . 2]" 1
72 1 19 GLN HE21 1 85 LYS HB2 . . 5.010 4.253 4.070 4.657 . 0 0 "[ . 1 . 2]" 1
73 1 19 GLN HE21 1 85 LYS HB3 . . 5.010 2.551 2.358 2.910 . 0 0 "[ . 1 . 2]" 1
74 1 19 GLN HE21 1 85 LYS QE . . 5.500 4.852 4.325 5.508 0.008 7 0 "[ . 1 . 2]" 1
75 1 19 GLN QG 1 20 ASN H . . 4.590 4.077 3.765 4.153 . 0 0 "[ . 1 . 2]" 1
76 1 19 GLN QG 1 85 LYS HA . . 4.430 4.237 3.535 4.445 0.015 19 0 "[ . 1 . 2]" 1
77 1 19 GLN QG 1 85 LYS QB . . 4.390 3.450 3.081 3.951 . 0 0 "[ . 1 . 2]" 1
78 1 19 GLN QG 1 85 LYS QG . . 5.080 4.929 4.302 5.170 0.090 1 0 "[ . 1 . 2]" 1
79 1 19 GLN HG2 1 20 ASN H . . 5.300 5.060 4.833 5.159 . 0 0 "[ . 1 . 2]" 1
80 1 19 GLN HG3 1 20 ASN H . . 5.300 4.300 3.927 4.384 . 0 0 "[ . 1 . 2]" 1
81 1 20 ASN H 1 20 ASN HD21 . . 5.500 4.933 4.693 5.350 . 0 0 "[ . 1 . 2]" 1
82 1 20 ASN H 1 21 ILE H . . 3.780 2.463 2.290 2.828 . 0 0 "[ . 1 . 2]" 1
83 1 20 ASN H 1 21 ILE HB . . 5.500 4.588 4.425 4.736 . 0 0 "[ . 1 . 2]" 1
84 1 20 ASN H 1 85 LYS H . . 5.500 4.669 4.410 4.911 . 0 0 "[ . 1 . 2]" 1
85 1 20 ASN H 1 85 LYS HA . . 4.960 5.004 4.929 5.075 0.115 8 0 "[ . 1 . 2]" 1
86 1 20 ASN QB 1 65 ASP QB . . 5.340 4.691 4.041 5.023 . 0 0 "[ . 1 . 2]" 1
87 1 20 ASN QB 1 68 LEU QB . . 4.760 3.035 2.521 4.223 . 0 0 "[ . 1 . 2]" 1
88 1 20 ASN HB2 1 64 SER H . . 5.500 5.541 5.384 5.619 0.119 15 0 "[ . 1 . 2]" 1
89 1 20 ASN HB2 1 65 ASP HA . . 5.500 5.411 5.060 5.567 0.067 17 0 "[ . 1 . 2]" 1
90 1 20 ASN HB3 1 64 SER H . . 5.500 4.740 4.570 5.139 . 0 0 "[ . 1 . 2]" 1
91 1 20 ASN HB3 1 65 ASP HA . . 5.500 3.981 3.614 4.363 . 0 0 "[ . 1 . 2]" 1
92 1 20 ASN HD21 1 65 ASP H . . 5.060 3.054 2.815 3.656 . 0 0 "[ . 1 . 2]" 1
93 1 20 ASN HD21 1 65 ASP HA . . 4.940 3.288 2.709 4.325 . 0 0 "[ . 1 . 2]" 1
94 1 20 ASN HD21 1 65 ASP QB . . 5.500 2.564 2.125 3.022 . 0 0 "[ . 1 . 2]" 1
95 1 21 ILE H 1 21 ILE HB . . 3.940 2.592 2.505 2.824 . 0 0 "[ . 1 . 2]" 1
96 1 21 ILE H 1 22 ILE H . . 4.950 4.425 4.218 4.520 . 0 0 "[ . 1 . 2]" 1
97 1 21 ILE H 1 84 VAL HA . . 5.500 4.801 4.408 5.048 . 0 0 "[ . 1 . 2]" 1
98 1 21 ILE H 1 85 LYS H . . 4.460 3.213 2.975 3.365 . 0 0 "[ . 1 . 2]" 1
99 1 21 ILE H 1 85 LYS HA . . 5.200 4.599 4.332 4.816 . 0 0 "[ . 1 . 2]" 1
100 1 21 ILE H 1 85 LYS HB2 . . 5.500 2.946 2.109 3.801 . 0 0 "[ . 1 . 2]" 1
101 1 21 ILE H 1 85 LYS HB3 . . 5.500 3.996 3.358 4.581 . 0 0 "[ . 1 . 2]" 1
102 1 21 ILE HA 1 68 LEU QB . . 5.340 5.241 4.497 5.449 0.109 11 0 "[ . 1 . 2]" 1
103 1 21 ILE HB 1 22 ILE H . . 5.050 3.936 3.856 4.044 . 0 0 "[ . 1 . 2]" 1
104 1 21 ILE HB 1 85 LYS H . . 5.500 3.582 3.189 3.835 . 0 0 "[ . 1 . 2]" 1
105 1 22 ILE H 1 22 ILE HG12 . . 5.500 4.238 4.102 4.359 . 0 0 "[ . 1 . 2]" 1
106 1 22 ILE H 1 23 GLN H . . 5.490 4.288 4.243 4.392 . 0 0 "[ . 1 . 2]" 1
107 1 22 ILE H 1 44 MET ME . . 5.500 4.065 3.744 4.601 . 0 0 "[ . 1 . 2]" 1
108 1 22 ILE H 1 60 SER H . . 5.430 3.056 2.599 3.427 . 0 0 "[ . 1 . 2]" 1
109 1 22 ILE H 1 60 SER HG . . 5.260 3.948 2.254 4.361 . 0 0 "[ . 1 . 2]" 1
110 1 22 ILE HA 1 85 LYS H . . 5.500 3.025 2.871 3.164 . 0 0 "[ . 1 . 2]" 1
111 1 22 ILE HB 1 23 GLN H . . 4.370 4.160 4.090 4.225 . 0 0 "[ . 1 . 2]" 1
112 1 22 ILE HB 1 23 GLN HA . . 5.220 4.674 4.396 4.853 . 0 0 "[ . 1 . 2]" 1
113 1 22 ILE HB 1 44 MET ME . . 5.400 3.162 2.716 3.796 . 0 0 "[ . 1 . 2]" 1
114 1 22 ILE HB 1 58 PHE QD . . 5.500 4.693 4.220 4.950 . 0 0 "[ . 1 . 2]" 1
115 1 22 ILE HB 1 58 PHE QE . . 4.730 3.011 2.637 3.291 . 0 0 "[ . 1 . 2]" 1
116 1 22 ILE HB 1 60 SER QB . . 5.340 2.852 2.243 3.524 . 0 0 "[ . 1 . 2]" 1
117 1 22 ILE HB 1 82 TYR QB . . 5.340 5.055 4.687 5.305 . 0 0 "[ . 1 . 2]" 1
118 1 22 ILE HB 1 85 LYS H . . 5.500 5.571 5.510 5.627 0.127 17 0 "[ . 1 . 2]" 1
119 1 22 ILE HG12 1 71 MET QB . . 5.500 4.934 4.637 5.395 . 0 0 "[ . 1 . 2]" 1
120 1 22 ILE HG12 1 84 VAL HA . . 5.500 2.767 2.586 2.974 . 0 0 "[ . 1 . 2]" 1
121 1 22 ILE HG12 1 85 LYS H . . 5.500 3.980 3.584 4.388 . 0 0 "[ . 1 . 2]" 1
122 1 23 GLN H 1 23 GLN QG . . 4.710 4.025 3.989 4.177 . 0 0 "[ . 1 . 2]" 1
123 1 23 GLN H 1 82 TYR HA . . 5.270 4.557 4.355 4.782 . 0 0 "[ . 1 . 2]" 1
124 1 23 GLN H 1 82 TYR QB . . 5.340 3.690 3.534 3.811 . 0 0 "[ . 1 . 2]" 1
125 1 23 GLN H 1 82 TYR QD . . 5.500 4.416 4.263 4.669 . 0 0 "[ . 1 . 2]" 1
126 1 23 GLN H 1 83 GLU H . . 4.210 2.564 2.449 2.724 . 0 0 "[ . 1 . 2]" 1
127 1 23 GLN H 1 83 GLU QB . . 5.320 2.893 2.686 3.040 . 0 0 "[ . 1 . 2]" 1
128 1 23 GLN H 1 83 GLU QG . . 4.120 4.219 4.177 4.275 0.155 7 0 "[ . 1 . 2]" 1
129 1 23 GLN H 1 84 VAL HA . . 4.460 4.170 3.786 4.444 . 0 0 "[ . 1 . 2]" 1
130 1 23 GLN H 1 85 LYS H . . 5.320 4.553 4.289 4.812 . 0 0 "[ . 1 . 2]" 1
131 1 23 GLN H 1 85 LYS QE . . 5.500 3.773 2.615 4.502 . 0 0 "[ . 1 . 2]" 1
132 1 23 GLN H 1 85 LYS QG . . 5.280 4.193 3.100 5.303 0.023 7 0 "[ . 1 . 2]" 1
133 1 23 GLN HA 1 23 GLN HE21 . . 5.500 5.524 4.284 5.621 0.121 10 0 "[ . 1 . 2]" 1
134 1 23 GLN HA 1 58 PHE H . . 5.500 4.639 4.491 4.824 . 0 0 "[ . 1 . 2]" 1
135 1 23 GLN HA 1 60 SER H . . 5.500 3.348 3.170 3.850 . 0 0 "[ . 1 . 2]" 1
136 1 23 GLN QB 1 24 SER H . . 4.400 3.545 3.470 3.953 . 0 0 "[ . 1 . 2]" 1
137 1 23 GLN QB 1 59 ILE HA . . 5.340 3.469 3.154 3.849 . 0 0 "[ . 1 . 2]" 1
138 1 23 GLN QB 1 60 SER H . . 5.340 4.432 4.215 4.830 . 0 0 "[ . 1 . 2]" 1
139 1 23 GLN HB2 1 85 LYS QE . . 5.500 2.978 2.182 3.711 . 0 0 "[ . 1 . 2]" 1
140 1 23 GLN HB3 1 85 LYS QE . . 5.500 3.153 2.135 3.632 . 0 0 "[ . 1 . 2]" 1
141 1 23 GLN HE21 1 24 SER H . . 5.170 5.144 3.609 5.287 0.117 18 0 "[ . 1 . 2]" 1
142 1 23 GLN HE21 1 85 LYS QE . . 5.500 5.245 4.602 5.649 0.149 8 0 "[ . 1 . 2]" 1
143 1 23 GLN QG 1 24 SER H . . 4.110 2.245 2.033 3.740 . 0 0 "[ . 1 . 2]" 1
144 1 23 GLN QG 1 57 TYR QD . . 4.040 2.738 2.374 3.462 . 0 0 "[ . 1 . 2]" 1
145 1 23 GLN QG 1 57 TYR QE . . 4.050 3.770 3.241 4.069 0.019 6 0 "[ . 1 . 2]" 1
146 1 23 GLN QG 1 58 PHE H . . 5.490 4.202 3.878 5.531 0.041 8 0 "[ . 1 . 2]" 1
147 1 23 GLN QG 1 59 ILE H . . 5.500 4.331 4.044 5.185 . 0 0 "[ . 1 . 2]" 1
148 1 23 GLN QG 1 59 ILE HA . . 5.500 2.653 2.331 3.574 . 0 0 "[ . 1 . 2]" 1
149 1 23 GLN QG 1 59 ILE HB . . 5.500 4.100 4.000 4.540 . 0 0 "[ . 1 . 2]" 1
150 1 23 GLN QG 1 59 ILE HG12 . . 5.190 2.725 1.859 3.279 . 0 0 "[ . 1 . 2]" 1
151 1 23 GLN QG 1 81 TRP HZ3 . . 5.450 4.517 4.147 5.329 . 0 0 "[ . 1 . 2]" 1
152 1 24 SER H 1 24 SER HG . . 4.880 3.322 3.202 3.389 . 0 0 "[ . 1 . 2]" 1
153 1 24 SER H 1 25 GLY H . . 4.820 4.475 4.446 4.542 . 0 0 "[ . 1 . 2]" 1
154 1 24 SER H 1 27 PHE QE . . 5.500 4.778 4.572 4.916 . 0 0 "[ . 1 . 2]" 1
155 1 24 SER H 1 57 TYR HB2 . . 5.450 3.516 3.245 3.702 . 0 0 "[ . 1 . 2]" 1
156 1 24 SER H 1 57 TYR QB . . 4.680 3.463 3.204 3.641 . 0 0 "[ . 1 . 2]" 1
157 1 24 SER H 1 57 TYR HB3 . . 5.450 5.198 4.948 5.398 . 0 0 "[ . 1 . 2]" 1
158 1 24 SER H 1 57 TYR QD . . 5.170 3.773 3.267 4.080 . 0 0 "[ . 1 . 2]" 1
159 1 24 SER H 1 58 PHE H . . 4.210 2.974 2.840 3.135 . 0 0 "[ . 1 . 2]" 1
160 1 24 SER H 1 58 PHE QD . . 5.020 4.197 4.068 4.445 . 0 0 "[ . 1 . 2]" 1
161 1 24 SER H 1 60 SER H . . 5.500 5.082 4.916 5.252 . 0 0 "[ . 1 . 2]" 1
162 1 24 SER H 1 81 TRP HZ3 . . 5.500 5.390 5.103 5.534 0.034 1 0 "[ . 1 . 2]" 1
163 1 24 SER HA 1 82 TYR HB2 . . 5.450 2.899 2.628 3.064 . 0 0 "[ . 1 . 2]" 1
164 1 24 SER HA 1 82 TYR QB . . 4.670 2.445 2.252 2.585 . 0 0 "[ . 1 . 2]" 1
165 1 24 SER HA 1 82 TYR HB3 . . 5.450 2.636 2.449 2.808 . 0 0 "[ . 1 . 2]" 1
166 1 24 SER QB 1 25 GLY H . . 3.670 2.364 2.312 2.446 . 0 0 "[ . 1 . 2]" 1
167 1 24 SER QB 1 27 PHE QD . . 4.570 2.891 2.686 3.142 . 0 0 "[ . 1 . 2]" 1
168 1 24 SER QB 1 27 PHE QE . . 4.490 2.925 2.722 3.120 . 0 0 "[ . 1 . 2]" 1
169 1 24 SER QB 1 27 PHE HZ . . 5.340 4.916 4.715 5.141 . 0 0 "[ . 1 . 2]" 1
170 1 24 SER QB 1 57 TYR QB . . 4.760 3.850 3.565 4.119 . 0 0 "[ . 1 . 2]" 1
171 1 24 SER QB 1 58 PHE H . . 4.200 3.357 3.249 3.469 . 0 0 "[ . 1 . 2]" 1
172 1 24 SER QB 1 58 PHE QD . . 5.090 3.539 3.335 3.751 . 0 0 "[ . 1 . 2]" 1
173 1 24 SER QB 1 58 PHE QE . . 4.730 2.883 2.722 3.220 . 0 0 "[ . 1 . 2]" 1
174 1 24 SER QB 1 75 LEU QB . . 5.180 4.114 3.940 4.402 . 0 0 "[ . 1 . 2]" 1
175 1 24 SER QB 1 80 TRP HE3 . . 5.340 3.429 3.098 3.679 . 0 0 "[ . 1 . 2]" 1
176 1 24 SER QB 1 81 TRP HE3 . . 5.340 4.868 4.710 5.028 . 0 0 "[ . 1 . 2]" 1
177 1 24 SER QB 1 82 TYR QB . . 4.270 3.091 2.761 3.284 . 0 0 "[ . 1 . 2]" 1
178 1 24 SER HB2 1 25 GLY H . . 4.490 2.389 2.336 2.477 . 0 0 "[ . 1 . 2]" 1
179 1 24 SER HB2 1 27 PHE QD . . 5.340 2.939 2.725 3.200 . 0 0 "[ . 1 . 2]" 1
180 1 24 SER HB2 1 58 PHE H . . 4.860 3.963 3.880 4.084 . 0 0 "[ . 1 . 2]" 1
181 1 24 SER HB3 1 25 GLY H . . 4.490 3.757 3.714 3.797 . 0 0 "[ . 1 . 2]" 1
182 1 24 SER HB3 1 27 PHE QD . . 5.340 4.293 4.071 4.578 . 0 0 "[ . 1 . 2]" 1
183 1 24 SER HB3 1 58 PHE H . . 4.860 3.626 3.480 3.760 . 0 0 "[ . 1 . 2]" 1
184 1 24 SER HG 1 25 GLY H . . 4.800 3.516 3.433 3.660 . 0 0 "[ . 1 . 2]" 1
185 1 24 SER HG 1 27 PHE QD . . 4.650 2.596 2.422 2.790 . 0 0 "[ . 1 . 2]" 1
186 1 24 SER HG 1 27 PHE QE . . 4.400 2.042 1.915 2.188 . 0 0 "[ . 1 . 2]" 1
187 1 24 SER HG 1 27 PHE HZ . . 5.440 4.422 4.248 4.531 . 0 0 "[ . 1 . 2]" 1
188 1 24 SER HG 1 57 TYR HB2 . . 5.250 2.719 2.346 3.011 . 0 0 "[ . 1 . 2]" 1
189 1 24 SER HG 1 57 TYR QB . . 4.510 2.628 2.288 2.909 . 0 0 "[ . 1 . 2]" 1
190 1 24 SER HG 1 57 TYR HB3 . . 5.250 3.489 3.176 3.847 . 0 0 "[ . 1 . 2]" 1
191 1 24 SER HG 1 57 TYR QD . . 4.910 4.521 4.227 4.739 . 0 0 "[ . 1 . 2]" 1
192 1 24 SER HG 1 58 PHE H . . 4.030 2.273 2.210 2.377 . 0 0 "[ . 1 . 2]" 1
193 1 25 GLY H 1 26 ALA H . . 4.560 4.465 4.359 4.500 . 0 0 "[ . 1 . 2]" 1
194 1 25 GLY H 1 27 PHE QD . . 5.410 4.011 3.889 4.289 . 0 0 "[ . 1 . 2]" 1
195 1 25 GLY H 1 57 TYR QB . . 5.340 4.206 3.978 4.419 . 0 0 "[ . 1 . 2]" 1
196 1 25 GLY H 1 81 TRP H . . 5.500 4.048 3.839 4.224 . 0 0 "[ . 1 . 2]" 1
197 1 25 GLY H 1 81 TRP HB2 . . 5.500 5.333 5.119 5.498 . 0 0 "[ . 1 . 2]" 1
198 1 25 GLY H 1 81 TRP HB3 . . 5.500 3.761 3.537 3.933 . 0 0 "[ . 1 . 2]" 1
199 1 25 GLY H 1 81 TRP HE3 . . 4.310 2.752 2.597 2.921 . 0 0 "[ . 1 . 2]" 1
200 1 25 GLY H 1 81 TRP HZ3 . . 5.500 4.157 3.963 4.318 . 0 0 "[ . 1 . 2]" 1
201 1 25 GLY H 1 82 TYR H . . 5.500 4.895 4.729 5.059 . 0 0 "[ . 1 . 2]" 1
202 1 25 GLY H 1 82 TYR HB2 . . 5.080 4.876 4.599 5.071 . 0 0 "[ . 1 . 2]" 1
203 1 25 GLY H 1 82 TYR QB . . 4.290 3.726 3.454 3.958 . 0 0 "[ . 1 . 2]" 1
204 1 25 GLY H 1 82 TYR HB3 . . 5.080 3.867 3.569 4.130 . 0 0 "[ . 1 . 2]" 1
205 1 25 GLY QA 1 26 ALA MB . . 4.450 3.789 3.760 3.817 . 0 0 "[ . 1 . 2]" 1
206 1 25 GLY QA 1 57 TYR QD . . 5.340 4.489 4.234 4.777 . 0 0 "[ . 1 . 2]" 1
207 1 25 GLY QA 1 81 TRP H . . 5.340 4.094 3.868 4.380 . 0 0 "[ . 1 . 2]" 1
208 1 25 GLY QA 1 81 TRP QB . . 4.530 3.023 2.766 3.246 . 0 0 "[ . 1 . 2]" 1
209 1 25 GLY QA 1 81 TRP HZ3 . . 5.340 2.711 2.566 3.062 . 0 0 "[ . 1 . 2]" 1
210 1 25 GLY HA2 1 26 ALA MB . . 5.220 4.155 4.108 4.208 . 0 0 "[ . 1 . 2]" 1
211 1 25 GLY HA2 1 81 TRP HE3 . . 4.570 2.621 2.436 2.789 . 0 0 "[ . 1 . 2]" 1
212 1 25 GLY HA3 1 26 ALA MB . . 5.220 4.372 4.285 4.424 . 0 0 "[ . 1 . 2]" 1
213 1 25 GLY HA3 1 81 TRP HE3 . . 4.570 2.127 1.967 2.330 . 0 0 "[ . 1 . 2]" 1
214 1 26 ALA H 1 26 ALA MB . . 3.210 2.248 2.229 2.276 . 0 0 "[ . 1 . 2]" 1
215 1 26 ALA H 1 27 PHE H . . 4.710 4.464 4.425 4.508 . 0 0 "[ . 1 . 2]" 1
216 1 26 ALA H 1 27 PHE QD . . 5.500 5.152 5.070 5.238 . 0 0 "[ . 1 . 2]" 1
217 1 26 ALA H 1 57 TYR QB . . 5.180 3.251 3.014 3.650 . 0 0 "[ . 1 . 2]" 1
218 1 26 ALA H 1 57 TYR QD . . 5.310 4.607 4.183 5.010 . 0 0 "[ . 1 . 2]" 1
219 1 26 ALA H 1 81 TRP HE3 . . 4.910 4.416 4.148 4.611 . 0 0 "[ . 1 . 2]" 1
220 1 26 ALA MB 1 27 PHE H . . 3.810 3.222 3.155 3.260 . 0 0 "[ . 1 . 2]" 1
221 1 26 ALA MB 1 51 GLN H . . 5.500 4.806 4.390 5.246 . 0 0 "[ . 1 . 2]" 1
222 1 26 ALA MB 1 51 GLN HE21 . . 4.390 3.034 2.464 3.562 . 0 0 "[ . 1 . 2]" 1
223 1 26 ALA MB 1 51 GLN QG . . 5.340 4.602 3.950 5.282 . 0 0 "[ . 1 . 2]" 1
224 1 26 ALA MB 1 55 LEU H . . 4.780 4.335 4.079 4.565 . 0 0 "[ . 1 . 2]" 1
225 1 26 ALA MB 1 55 LEU HA . . 5.470 4.203 4.060 4.360 . 0 0 "[ . 1 . 2]" 1
226 1 26 ALA MB 1 55 LEU QB . . 4.000 1.909 1.832 1.992 . 0 0 "[ . 1 . 2]" 1
227 1 26 ALA MB 1 56 THR H . . 4.130 3.695 3.557 3.975 . 0 0 "[ . 1 . 2]" 1
228 1 26 ALA MB 1 56 THR HA . . 5.500 3.951 3.704 4.361 . 0 0 "[ . 1 . 2]" 1
229 1 26 ALA MB 1 57 TYR QB . . 4.820 3.093 2.709 3.356 . 0 0 "[ . 1 . 2]" 1
230 1 26 ALA MB 1 57 TYR QD . . 4.140 3.089 2.727 3.650 . 0 0 "[ . 1 . 2]" 1
231 1 27 PHE H 1 27 PHE QD . . 4.580 2.914 2.839 3.043 . 0 0 "[ . 1 . 2]" 1
232 1 27 PHE H 1 27 PHE HZ . . 5.430 5.336 5.269 5.422 . 0 0 "[ . 1 . 2]" 1
233 1 27 PHE H 1 28 SER H . . 5.320 4.431 4.408 4.471 . 0 0 "[ . 1 . 2]" 1
234 1 27 PHE H 1 55 LEU QB . . 4.600 3.098 2.950 3.254 . 0 0 "[ . 1 . 2]" 1
235 1 27 PHE H 1 56 THR H . . 3.900 2.815 2.746 2.957 . 0 0 "[ . 1 . 2]" 1
236 1 27 PHE H 1 56 THR HA . . 5.500 4.481 4.361 4.568 . 0 0 "[ . 1 . 2]" 1
237 1 27 PHE H 1 57 TYR H . . 5.500 4.778 4.680 4.899 . 0 0 "[ . 1 . 2]" 1
238 1 27 PHE H 1 57 TYR QB . . 4.910 3.699 3.478 3.864 . 0 0 "[ . 1 . 2]" 1
239 1 27 PHE H 1 57 TYR QD . . 5.500 4.984 4.704 5.275 . 0 0 "[ . 1 . 2]" 1
240 1 27 PHE QB 1 28 SER H . . 3.500 2.112 2.005 2.291 . 0 0 "[ . 1 . 2]" 1
241 1 27 PHE QB 1 28 SER QB . . 4.760 3.824 3.698 3.983 . 0 0 "[ . 1 . 2]" 1
242 1 27 PHE QB 1 31 GLU QB . . 5.180 3.601 3.280 3.765 . 0 0 "[ . 1 . 2]" 1
243 1 27 PHE QB 1 80 TRP HZ2 . . 4.500 3.743 3.486 4.047 . 0 0 "[ . 1 . 2]" 1
244 1 27 PHE HB2 1 28 SER H . . 4.020 2.128 2.018 2.317 . 0 0 "[ . 1 . 2]" 1
245 1 27 PHE HB2 1 80 TRP HE1 . . 5.500 3.920 3.564 4.747 . 0 0 "[ . 1 . 2]" 1
246 1 27 PHE HB2 1 80 TRP HE3 . . 5.500 4.974 4.721 5.279 . 0 0 "[ . 1 . 2]" 1
247 1 27 PHE HB2 1 80 TRP HZ2 . . 5.250 3.871 3.588 4.207 . 0 0 "[ . 1 . 2]" 1
248 1 27 PHE HB3 1 28 SER H . . 4.020 3.535 3.470 3.615 . 0 0 "[ . 1 . 2]" 1
249 1 27 PHE HB3 1 80 TRP HE1 . . 5.500 4.541 4.236 5.008 . 0 0 "[ . 1 . 2]" 1
250 1 27 PHE HB3 1 80 TRP HE3 . . 5.500 4.251 3.971 4.499 . 0 0 "[ . 1 . 2]" 1
251 1 27 PHE HB3 1 80 TRP HZ2 . . 5.250 4.975 4.727 5.258 0.008 6 0 "[ . 1 . 2]" 1
252 1 27 PHE QD 1 28 SER H . . 4.400 3.111 2.952 3.423 . 0 0 "[ . 1 . 2]" 1
253 1 27 PHE QD 1 28 SER HA . . 5.130 4.425 4.325 4.536 . 0 0 "[ . 1 . 2]" 1
254 1 27 PHE QD 1 28 SER QB . . 4.610 3.864 3.579 4.277 . 0 0 "[ . 1 . 2]" 1
255 1 27 PHE QD 1 29 PRO HA . . 4.780 4.377 4.228 4.512 . 0 0 "[ . 1 . 2]" 1
256 1 27 PHE QD 1 30 TYR H . . 5.500 5.351 5.245 5.446 . 0 0 "[ . 1 . 2]" 1
257 1 27 PHE QD 1 31 GLU H . . 4.840 3.798 3.670 3.917 . 0 0 "[ . 1 . 2]" 1
258 1 27 PHE QD 1 31 GLU HB2 . . 3.990 2.434 2.150 2.646 . 0 0 "[ . 1 . 2]" 1
259 1 27 PHE QD 1 31 GLU HB3 . . 3.990 3.783 3.430 3.993 0.003 7 0 "[ . 1 . 2]" 1
260 1 27 PHE QD 1 31 GLU HG2 . . 5.470 4.570 4.323 4.799 . 0 0 "[ . 1 . 2]" 1
261 1 27 PHE QD 1 31 GLU QG . . 4.770 3.824 3.479 4.067 . 0 0 "[ . 1 . 2]" 1
262 1 27 PHE QD 1 31 GLU HG3 . . 5.470 4.105 3.668 4.394 . 0 0 "[ . 1 . 2]" 1
263 1 27 PHE QD 1 32 THR H . . 5.210 3.861 3.689 4.117 . 0 0 "[ . 1 . 2]" 1
264 1 27 PHE QD 1 32 THR HA . . 5.500 4.236 3.993 4.420 . 0 0 "[ . 1 . 2]" 1
265 1 27 PHE QD 1 56 THR H . . 5.500 4.407 4.259 4.540 . 0 0 "[ . 1 . 2]" 1
266 1 27 PHE QD 1 57 TYR HA . . 4.580 3.331 3.219 3.562 . 0 0 "[ . 1 . 2]" 1
267 1 27 PHE QD 1 57 TYR QB . . 5.010 4.011 3.716 4.313 . 0 0 "[ . 1 . 2]" 1
268 1 27 PHE QD 1 58 PHE H . . 5.060 4.504 4.350 4.747 . 0 0 "[ . 1 . 2]" 1
269 1 27 PHE QD 1 80 TRP HH2 . . 4.960 3.969 3.802 4.232 . 0 0 "[ . 1 . 2]" 1
270 1 27 PHE QD 1 80 TRP HZ3 . . 4.510 4.200 3.952 4.412 . 0 0 "[ . 1 . 2]" 1
271 1 27 PHE QE 1 29 PRO HA . . 4.850 4.384 4.231 4.551 . 0 0 "[ . 1 . 2]" 1
272 1 27 PHE QE 1 31 GLU HB2 . . 4.880 3.454 3.237 3.802 . 0 0 "[ . 1 . 2]" 1
273 1 27 PHE QE 1 31 GLU QB . . 4.300 3.299 3.084 3.598 . 0 0 "[ . 1 . 2]" 1
274 1 27 PHE QE 1 31 GLU HB3 . . 4.880 4.190 3.878 4.495 . 0 0 "[ . 1 . 2]" 1
275 1 27 PHE QE 1 32 THR H . . 5.060 3.186 2.881 3.448 . 0 0 "[ . 1 . 2]" 1
276 1 27 PHE QE 1 32 THR HA . . 4.380 2.089 1.975 2.276 . 0 0 "[ . 1 . 2]" 1
277 1 27 PHE QE 1 35 VAL HB . . 5.310 3.828 3.504 4.476 . 0 0 "[ . 1 . 2]" 1
278 1 27 PHE QE 1 36 MET QG . . 5.270 5.265 5.084 5.330 0.060 6 0 "[ . 1 . 2]" 1
279 1 27 PHE QE 1 48 PHE QE . . 4.180 3.095 2.867 3.263 . 0 0 "[ . 1 . 2]" 1
280 1 27 PHE QE 1 48 PHE HZ . . 5.330 4.915 4.777 5.165 . 0 0 "[ . 1 . 2]" 1
281 1 27 PHE QE 1 57 TYR HA . . 4.750 2.581 2.300 2.957 . 0 0 "[ . 1 . 2]" 1
282 1 27 PHE QE 1 57 TYR HB2 . . 5.210 4.304 3.936 4.689 . 0 0 "[ . 1 . 2]" 1
283 1 27 PHE QE 1 57 TYR QB . . 4.390 3.984 3.661 4.347 . 0 0 "[ . 1 . 2]" 1
284 1 27 PHE QE 1 57 TYR HB3 . . 5.210 4.699 4.356 5.143 . 0 0 "[ . 1 . 2]" 1
285 1 27 PHE QE 1 58 PHE H . . 4.830 2.799 2.589 3.181 . 0 0 "[ . 1 . 2]" 1
286 1 27 PHE QE 1 80 TRP HZ3 . . 4.750 3.877 3.669 4.033 . 0 0 "[ . 1 . 2]" 1
287 1 27 PHE HZ 1 32 THR HA . . 5.280 3.432 3.119 3.740 . 0 0 "[ . 1 . 2]" 1
288 1 27 PHE HZ 1 35 VAL HB . . 5.340 3.685 3.222 4.737 . 0 0 "[ . 1 . 2]" 1
289 1 27 PHE HZ 1 48 PHE QE . . 3.980 1.935 1.898 1.982 . 0 0 "[ . 1 . 2]" 1
290 1 27 PHE HZ 1 48 PHE HZ . . 5.320 3.923 3.737 4.222 . 0 0 "[ . 1 . 2]" 1
291 1 27 PHE HZ 1 58 PHE QD . . 3.660 2.303 2.187 2.480 . 0 0 "[ . 1 . 2]" 1
292 1 27 PHE HZ 1 80 TRP HZ3 . . 5.310 4.191 3.882 4.556 . 0 0 "[ . 1 . 2]" 1
293 1 28 SER H 1 28 SER HB2 . . 3.720 2.478 2.416 2.575 . 0 0 "[ . 1 . 2]" 1
294 1 28 SER H 1 28 SER HB3 . . 3.720 3.265 2.448 3.547 . 0 0 "[ . 1 . 2]" 1
295 1 28 SER H 1 29 PRO HD2 . . 5.500 4.703 4.675 4.754 . 0 0 "[ . 1 . 2]" 1
296 1 28 SER H 1 29 PRO HD3 . . 5.500 4.991 4.861 5.100 . 0 0 "[ . 1 . 2]" 1
297 1 28 SER H 1 30 TYR H . . 5.500 5.485 5.343 5.539 0.039 15 0 "[ . 1 . 2]" 1
298 1 28 SER H 1 31 GLU H . . 5.360 4.900 4.702 5.076 . 0 0 "[ . 1 . 2]" 1
299 1 28 SER H 1 31 GLU HG2 . . 5.030 4.665 4.301 4.968 . 0 0 "[ . 1 . 2]" 1
300 1 28 SER H 1 31 GLU QG . . 4.250 3.853 3.405 4.177 . 0 0 "[ . 1 . 2]" 1
301 1 28 SER H 1 31 GLU HG3 . . 5.030 4.111 3.569 4.491 . 0 0 "[ . 1 . 2]" 1
302 1 28 SER H 1 56 THR H . . 5.500 5.181 5.026 5.313 . 0 0 "[ . 1 . 2]" 1
303 1 28 SER H 1 80 TRP HZ2 . . 5.500 4.838 4.482 5.234 . 0 0 "[ . 1 . 2]" 1
304 1 28 SER HA 1 29 PRO HG2 . . 5.100 4.235 4.147 4.292 . 0 0 "[ . 1 . 2]" 1
305 1 28 SER HA 1 29 PRO HG3 . . 5.100 4.404 4.373 4.465 . 0 0 "[ . 1 . 2]" 1
306 1 28 SER HA 1 30 TYR H . . 5.320 4.098 3.982 4.188 . 0 0 "[ . 1 . 2]" 1
307 1 28 SER HA 1 31 GLU H . . 5.120 4.884 4.743 5.036 . 0 0 "[ . 1 . 2]" 1
308 1 28 SER QB 1 30 TYR H . . 3.910 3.103 2.879 3.646 . 0 0 "[ . 1 . 2]" 1
309 1 28 SER QB 1 30 TYR QD . . 3.630 2.811 2.076 3.518 . 0 0 "[ . 1 . 2]" 1
310 1 28 SER QB 1 30 TYR QE . . 4.090 2.653 2.253 3.136 . 0 0 "[ . 1 . 2]" 1
311 1 28 SER QB 1 31 GLU H . . 4.290 3.272 2.984 3.464 . 0 0 "[ . 1 . 2]" 1
312 1 28 SER QB 1 31 GLU QB . . 4.510 3.369 2.931 3.716 . 0 0 "[ . 1 . 2]" 1
313 1 28 SER QB 1 31 GLU QG . . 4.050 2.596 2.207 3.015 . 0 0 "[ . 1 . 2]" 1
314 1 28 SER HB2 1 30 TYR QD . . 4.290 3.863 2.861 4.334 0.044 1 0 "[ . 1 . 2]" 1
315 1 28 SER HB2 1 30 TYR QE . . 4.670 3.376 2.574 3.897 . 0 0 "[ . 1 . 2]" 1
316 1 28 SER HB2 1 31 GLU H . . 5.100 3.838 3.129 5.145 0.045 2 0 "[ . 1 . 2]" 1
317 1 28 SER HB2 1 31 GLU HG2 . . 5.250 3.256 2.367 4.902 . 0 0 "[ . 1 . 2]" 1
318 1 28 SER HB2 1 31 GLU HG3 . . 5.250 3.511 2.751 5.179 . 0 0 "[ . 1 . 2]" 1
319 1 28 SER HB3 1 30 TYR QD . . 4.290 2.898 2.131 3.729 . 0 0 "[ . 1 . 2]" 1
320 1 28 SER HB3 1 30 TYR QE . . 4.670 2.807 2.488 3.429 . 0 0 "[ . 1 . 2]" 1
321 1 28 SER HB3 1 31 GLU H . . 5.100 3.837 3.374 4.202 . 0 0 "[ . 1 . 2]" 1
322 1 28 SER HB3 1 31 GLU HG2 . . 5.250 3.708 2.712 4.345 . 0 0 "[ . 1 . 2]" 1
323 1 28 SER HB3 1 31 GLU HG3 . . 5.250 4.375 3.040 5.084 . 0 0 "[ . 1 . 2]" 1
324 1 29 PRO HA 1 31 GLU H . . 4.280 3.923 3.784 4.030 . 0 0 "[ . 1 . 2]" 1
325 1 29 PRO HA 1 32 THR H . . 3.800 3.460 3.318 3.568 . 0 0 "[ . 1 . 2]" 1
326 1 29 PRO HA 1 32 THR HG1 . . 4.480 2.099 2.000 2.208 . 0 0 "[ . 1 . 2]" 1
327 1 29 PRO HA 1 55 LEU HA . . 4.530 4.533 4.385 4.585 0.055 1 0 "[ . 1 . 2]" 1
328 1 29 PRO HA 1 56 THR H . . 4.710 4.307 4.209 4.432 . 0 0 "[ . 1 . 2]" 1
329 1 29 PRO HA 1 56 THR HB . . 5.500 4.455 4.288 4.601 . 0 0 "[ . 1 . 2]" 1
330 1 29 PRO QB 1 30 TYR H . . 3.830 3.250 3.195 3.328 . 0 0 "[ . 1 . 2]" 1
331 1 29 PRO QB 1 31 GLU H . . 5.340 4.776 4.721 4.848 . 0 0 "[ . 1 . 2]" 1
332 1 29 PRO QB 1 32 THR H . . 5.160 4.728 4.608 4.794 . 0 0 "[ . 1 . 2]" 1
333 1 29 PRO QB 1 32 THR HB . . 5.340 4.331 4.181 4.431 . 0 0 "[ . 1 . 2]" 1
334 1 29 PRO QB 1 32 THR HG1 . . 5.340 3.534 3.310 3.666 . 0 0 "[ . 1 . 2]" 1
335 1 29 PRO QB 1 54 GLY QA . . 4.760 4.738 4.560 4.816 0.056 6 0 "[ . 1 . 2]" 1
336 1 29 PRO HB2 1 30 TYR H . . 4.500 3.366 3.305 3.455 . 0 0 "[ . 1 . 2]" 1
337 1 29 PRO HB2 2 33 PRO HA . . 4.790 2.276 2.067 2.494 . 0 0 "[ . 1 . 2]" 1
338 1 29 PRO HB3 1 30 TYR H . . 4.500 4.287 4.237 4.349 . 0 0 "[ . 1 . 2]" 1
339 1 29 PRO HB3 2 33 PRO HA . . 4.790 3.368 3.007 3.806 . 0 0 "[ . 1 . 2]" 1
340 1 29 PRO QD 1 30 TYR H . . 3.610 3.082 2.982 3.157 . 0 0 "[ . 1 . 2]" 1
341 1 29 PRO QD 1 55 LEU HA . . 5.020 2.324 2.165 2.533 . 0 0 "[ . 1 . 2]" 1
342 1 29 PRO QD 1 56 THR H . . 5.350 3.818 3.642 3.967 . 0 0 "[ . 1 . 2]" 1
343 1 29 PRO QG 1 30 TYR H . . 4.110 2.700 2.611 2.866 . 0 0 "[ . 1 . 2]" 1
344 1 29 PRO QG 2 33 PRO HA . . 4.410 4.092 3.887 4.296 . 0 0 "[ . 1 . 2]" 1
345 1 29 PRO HG2 2 33 PRO HA . . 5.010 4.451 4.258 4.671 . 0 0 "[ . 1 . 2]" 1
346 1 29 PRO HG3 2 33 PRO HA . . 5.010 4.779 4.482 5.035 0.025 20 0 "[ . 1 . 2]" 1
347 1 30 TYR H 1 30 TYR HB2 . . 3.750 3.708 3.648 3.752 0.002 17 0 "[ . 1 . 2]" 1
348 1 30 TYR H 1 30 TYR HB3 . . 3.750 2.659 2.451 2.769 . 0 0 "[ . 1 . 2]" 1
349 1 30 TYR H 1 30 TYR QD . . 3.970 2.409 2.027 2.632 . 0 0 "[ . 1 . 2]" 1
350 1 30 TYR H 1 30 TYR QE . . 5.030 4.326 4.098 4.597 . 0 0 "[ . 1 . 2]" 1
351 1 30 TYR H 1 31 GLU H . . 3.760 2.576 2.504 2.635 . 0 0 "[ . 1 . 2]" 1
352 1 30 TYR H 1 31 GLU QB . . 4.880 4.570 4.462 4.668 . 0 0 "[ . 1 . 2]" 1
353 1 30 TYR H 1 32 THR HG1 . . 5.370 5.194 5.103 5.309 . 0 0 "[ . 1 . 2]" 1
354 1 30 TYR H 2 33 PRO HA . . 5.430 4.901 4.662 5.065 . 0 0 "[ . 1 . 2]" 1
355 1 30 TYR HA 1 33 PRO QD . . 5.030 3.001 2.868 3.119 . 0 0 "[ . 1 . 2]" 1
356 1 30 TYR HA 1 33 PRO HG2 . . 4.630 4.215 3.953 4.445 . 0 0 "[ . 1 . 2]" 1
357 1 30 TYR HA 1 33 PRO QG . . 4.040 3.409 3.124 3.630 . 0 0 "[ . 1 . 2]" 1
358 1 30 TYR HA 1 33 PRO HG3 . . 4.630 3.603 3.274 3.849 . 0 0 "[ . 1 . 2]" 1
359 1 30 TYR HA 2 33 PRO HB2 . . 4.640 3.186 2.897 3.397 . 0 0 "[ . 1 . 2]" 1
360 1 30 TYR HA 2 33 PRO QB . . 4.050 1.973 1.812 2.190 . 0 0 "[ . 1 . 2]" 1
361 1 30 TYR HA 2 33 PRO HB3 . . 4.640 1.993 1.821 2.223 . 0 0 "[ . 1 . 2]" 1
362 1 30 TYR QB 1 31 GLU QG . . 5.180 4.448 4.321 4.597 . 0 0 "[ . 1 . 2]" 1
363 1 30 TYR QB 1 33 PRO QG . . 4.530 4.161 3.952 4.342 . 0 0 "[ . 1 . 2]" 1
364 1 30 TYR HB2 1 31 GLU H . . 5.100 4.268 4.176 4.332 . 0 0 "[ . 1 . 2]" 1
365 1 30 TYR HB3 1 31 GLU H . . 5.100 4.260 4.086 4.378 . 0 0 "[ . 1 . 2]" 1
366 1 30 TYR QD 1 31 GLU H . . 5.030 3.642 3.379 3.795 . 0 0 "[ . 1 . 2]" 1
367 1 30 TYR QD 1 31 GLU QB . . 4.920 4.650 4.442 4.875 . 0 0 "[ . 1 . 2]" 1
368 1 30 TYR QD 1 31 GLU HG2 . . 5.160 3.404 2.882 3.735 . 0 0 "[ . 1 . 2]" 1
369 1 30 TYR QD 1 31 GLU QG . . 4.500 3.339 2.847 3.653 . 0 0 "[ . 1 . 2]" 1
370 1 30 TYR QD 1 31 GLU HG3 . . 5.160 4.844 4.436 5.172 0.012 15 0 "[ . 1 . 2]" 1
371 1 30 TYR QD 1 33 PRO QD . . 5.350 5.065 4.997 5.153 . 0 0 "[ . 1 . 2]" 1
372 1 30 TYR QD 1 33 PRO HG2 . . 5.500 5.219 5.069 5.342 . 0 0 "[ . 1 . 2]" 1
373 1 30 TYR QD 1 33 PRO HG3 . . 5.500 5.564 5.530 5.606 0.106 18 0 "[ . 1 . 2]" 1
374 1 30 TYR QE 1 31 GLU H . . 5.500 4.689 4.500 4.839 . 0 0 "[ . 1 . 2]" 1
375 1 30 TYR QE 1 31 GLU QB . . 5.220 4.873 4.682 5.220 0.000 15 0 "[ . 1 . 2]" 1
376 1 30 TYR QE 1 31 GLU QG . . 5.170 3.151 2.750 3.574 . 0 0 "[ . 1 . 2]" 1
377 1 31 GLU H 1 31 GLU QB . . 3.670 2.349 2.292 2.389 . 0 0 "[ . 1 . 2]" 1
378 1 31 GLU H 1 31 GLU HG2 . . 4.490 2.610 2.495 2.723 . 0 0 "[ . 1 . 2]" 1
379 1 31 GLU H 1 31 GLU QG . . 3.730 2.566 2.457 2.676 . 0 0 "[ . 1 . 2]" 1
380 1 31 GLU H 1 31 GLU HG3 . . 4.490 3.783 3.648 3.920 . 0 0 "[ . 1 . 2]" 1
381 1 31 GLU H 1 32 THR H . . 3.660 2.211 2.136 2.281 . 0 0 "[ . 1 . 2]" 1
382 1 31 GLU H 1 32 THR HG1 . . 4.720 4.742 4.731 4.750 0.030 11 0 "[ . 1 . 2]" 1
383 1 31 GLU H 1 33 PRO QD . . 5.350 3.562 3.425 3.725 . 0 0 "[ . 1 . 2]" 1
384 1 31 GLU H 1 80 TRP HH2 . . 5.500 5.385 5.235 5.523 0.023 5 0 "[ . 1 . 2]" 1
385 1 31 GLU HA 1 34 ASP QB . . 5.090 3.240 2.736 3.545 . 0 0 "[ . 1 . 2]" 1
386 1 31 GLU QB 1 32 THR H . . 4.290 2.968 2.854 3.118 . 0 0 "[ . 1 . 2]" 1
387 1 31 GLU QB 1 35 VAL H . . 4.490 4.210 4.086 4.347 . 0 0 "[ . 1 . 2]" 1
388 1 31 GLU QB 1 80 TRP HH2 . . 4.000 2.095 1.966 2.261 . 0 0 "[ . 1 . 2]" 1
389 1 31 GLU QB 1 80 TRP HZ2 . . 3.590 2.358 2.078 2.864 . 0 0 "[ . 1 . 2]" 1
390 1 31 GLU QB 1 80 TRP HZ3 . . 5.320 4.189 3.949 4.422 . 0 0 "[ . 1 . 2]" 1
391 1 31 GLU HB2 1 32 THR H . . 4.890 3.073 2.936 3.252 . 0 0 "[ . 1 . 2]" 1
392 1 31 GLU HB2 1 35 VAL H . . 5.320 5.360 5.339 5.373 0.053 15 0 "[ . 1 . 2]" 1
393 1 31 GLU HB2 1 80 TRP HH2 . . 4.620 3.175 2.975 3.421 . 0 0 "[ . 1 . 2]" 1
394 1 31 GLU HB2 1 80 TRP HZ2 . . 4.260 3.069 2.657 3.740 . 0 0 "[ . 1 . 2]" 1
395 1 31 GLU HB3 1 32 THR H . . 4.890 3.923 3.844 4.003 . 0 0 "[ . 1 . 2]" 1
396 1 31 GLU HB3 1 35 VAL H . . 5.320 4.404 4.242 4.594 . 0 0 "[ . 1 . 2]" 1
397 1 31 GLU HB3 1 80 TRP HH2 . . 4.620 2.126 1.994 2.294 . 0 0 "[ . 1 . 2]" 1
398 1 31 GLU HB3 1 80 TRP HZ2 . . 4.260 2.455 2.146 2.974 . 0 0 "[ . 1 . 2]" 1
399 1 31 GLU QG 1 32 THR H . . 5.310 4.233 4.104 4.338 . 0 0 "[ . 1 . 2]" 1
400 1 31 GLU QG 1 80 TRP HE1 . . 5.340 3.639 3.265 4.089 . 0 0 "[ . 1 . 2]" 1
401 1 31 GLU QG 1 80 TRP HH2 . . 4.570 3.726 3.404 3.994 . 0 0 "[ . 1 . 2]" 1
402 1 31 GLU HG2 1 80 TRP HH2 . . 5.200 4.917 4.665 5.176 . 0 0 "[ . 1 . 2]" 1
403 1 31 GLU HG2 1 80 TRP HZ2 . . 4.580 3.716 3.565 3.922 . 0 0 "[ . 1 . 2]" 1
404 1 31 GLU HG3 1 80 TRP HH2 . . 5.200 3.860 3.497 4.155 . 0 0 "[ . 1 . 2]" 1
405 1 31 GLU HG3 1 80 TRP HZ2 . . 4.580 2.108 2.017 2.256 . 0 0 "[ . 1 . 2]" 1
406 1 32 THR H 1 32 THR HG1 . . 3.570 3.229 3.195 3.277 . 0 0 "[ . 1 . 2]" 1
407 1 32 THR H 1 33 PRO QD . . 4.050 2.226 2.193 2.239 . 0 0 "[ . 1 . 2]" 1
408 1 32 THR H 1 33 PRO HG2 . . 4.750 4.246 4.202 4.312 . 0 0 "[ . 1 . 2]" 1
409 1 32 THR H 1 33 PRO HG3 . . 4.750 4.773 4.750 4.799 0.049 16 0 "[ . 1 . 2]" 1
410 1 32 THR H 1 34 ASP QB . . 5.500 5.163 4.730 5.440 . 0 0 "[ . 1 . 2]" 1
411 1 32 THR HA 1 35 VAL H . . 4.380 3.449 3.326 3.641 . 0 0 "[ . 1 . 2]" 1
412 1 32 THR HA 1 35 VAL HB . . 4.660 2.968 2.430 4.308 . 0 0 "[ . 1 . 2]" 1
413 1 32 THR HA 1 36 MET ME . . 4.730 4.389 4.270 4.518 . 0 0 "[ . 1 . 2]" 1
414 1 32 THR HA 1 48 PHE QD . . 5.390 4.296 4.003 4.571 . 0 0 "[ . 1 . 2]" 1
415 1 32 THR HA 1 48 PHE QE . . 5.480 2.922 2.692 3.136 . 0 0 "[ . 1 . 2]" 1
416 1 32 THR HB 1 33 PRO HD2 . . 4.920 2.417 2.363 2.504 . 0 0 "[ . 1 . 2]" 1
417 1 32 THR HB 1 33 PRO QD . . 4.300 2.097 2.036 2.150 . 0 0 "[ . 1 . 2]" 1
418 1 32 THR HB 1 33 PRO HD3 . . 4.920 2.304 2.206 2.364 . 0 0 "[ . 1 . 2]" 1
419 1 32 THR HB 1 36 MET QG . . 5.340 4.770 4.696 4.873 . 0 0 "[ . 1 . 2]" 1
420 1 32 THR HB 2 33 PRO HA . . 4.830 4.092 3.825 4.418 . 0 0 "[ . 1 . 2]" 1
421 1 32 THR HB 2 36 MET ME . . 4.760 3.916 3.803 4.129 . 0 0 "[ . 1 . 2]" 1
422 1 32 THR HG1 1 33 PRO HD2 . . 5.310 4.430 4.358 4.525 . 0 0 "[ . 1 . 2]" 1
423 1 32 THR HG1 1 33 PRO HD3 . . 5.310 4.562 4.445 4.659 . 0 0 "[ . 1 . 2]" 1
424 1 32 THR HG1 2 33 PRO HA . . 5.500 4.429 4.108 4.871 . 0 0 "[ . 1 . 2]" 1
425 1 32 THR HG1 2 36 MET ME . . 4.810 2.938 2.838 3.150 . 0 0 "[ . 1 . 2]" 1
426 1 33 PRO HA 1 35 VAL H . . 4.970 4.671 4.550 4.770 . 0 0 "[ . 1 . 2]" 1
427 1 33 PRO HA 1 36 MET H . . 5.320 3.678 3.534 3.825 . 0 0 "[ . 1 . 2]" 1
428 1 33 PRO HA 1 36 MET QG . . 4.480 3.667 3.468 3.868 . 0 0 "[ . 1 . 2]" 1
429 1 33 PRO HA 1 37 GLY H . . 5.370 4.244 4.056 4.390 . 0 0 "[ . 1 . 2]" 1
430 1 33 PRO HA 2 29 PRO HB2 . . 4.790 2.317 2.026 2.512 . 0 0 "[ . 1 . 2]" 1
431 1 33 PRO HA 2 29 PRO HB3 . . 4.790 3.405 2.981 3.624 . 0 0 "[ . 1 . 2]" 1
432 1 33 PRO HA 2 29 PRO HG2 . . 5.010 4.484 4.185 4.717 . 0 0 "[ . 1 . 2]" 1
433 1 33 PRO HA 2 29 PRO QG . . 4.410 4.122 3.809 4.326 . 0 0 "[ . 1 . 2]" 1
434 1 33 PRO HA 2 29 PRO HG3 . . 5.010 4.810 4.381 5.030 0.020 1 0 "[ . 1 . 2]" 1
435 1 33 PRO HA 2 30 TYR H . . 5.430 4.941 4.698 5.233 . 0 0 "[ . 1 . 2]" 1
436 1 33 PRO HA 2 32 THR HB . . 4.830 4.179 3.819 4.438 . 0 0 "[ . 1 . 2]" 1
437 1 33 PRO HA 2 32 THR HG1 . . 5.500 4.591 4.221 5.041 . 0 0 "[ . 1 . 2]" 1
438 1 33 PRO QB 1 34 ASP H . . 3.740 2.933 2.878 3.012 . 0 0 "[ . 1 . 2]" 1
439 1 33 PRO QB 2 30 TYR HA . . 4.050 1.982 1.820 2.269 . 0 0 "[ . 1 . 2]" 1
440 1 33 PRO HB2 1 34 ASP H . . 4.350 3.012 2.949 3.105 . 0 0 "[ . 1 . 2]" 1
441 1 33 PRO HB2 2 30 TYR HA . . 4.640 3.202 2.983 3.525 . 0 0 "[ . 1 . 2]" 1
442 1 33 PRO HB3 1 34 ASP H . . 4.350 4.039 3.978 4.095 . 0 0 "[ . 1 . 2]" 1
443 1 33 PRO HB3 2 30 TYR HA . . 4.640 2.002 1.834 2.297 . 0 0 "[ . 1 . 2]" 1
444 1 33 PRO QD 1 34 ASP H . . 3.930 3.112 3.002 3.215 . 0 0 "[ . 1 . 2]" 1
445 1 33 PRO QD 1 34 ASP QB . . 5.020 4.475 4.203 4.716 . 0 0 "[ . 1 . 2]" 1
446 1 33 PRO QD 1 35 VAL H . . 4.700 4.482 4.385 4.630 . 0 0 "[ . 1 . 2]" 1
447 1 33 PRO QG 1 34 ASP H . . 4.010 2.246 2.078 2.359 . 0 0 "[ . 1 . 2]" 1
448 1 34 ASP H 1 34 ASP QB . . 3.190 2.292 2.195 2.425 . 0 0 "[ . 1 . 2]" 1
449 1 34 ASP H 1 35 VAL H . . 3.430 2.571 2.481 2.712 . 0 0 "[ . 1 . 2]" 1
450 1 34 ASP H 1 35 VAL HB . . 5.500 4.829 4.497 5.220 . 0 0 "[ . 1 . 2]" 1
451 1 34 ASP H 1 36 MET H . . 4.880 3.954 3.872 4.025 . 0 0 "[ . 1 . 2]" 1
452 1 34 ASP H 1 37 GLY H . . 5.170 4.592 4.451 4.844 . 0 0 "[ . 1 . 2]" 1
453 1 34 ASP HA 1 36 MET H . . 5.380 4.401 4.262 4.576 . 0 0 "[ . 1 . 2]" 1
454 1 34 ASP HA 1 37 GLY H . . 4.530 3.320 3.023 3.798 . 0 0 "[ . 1 . 2]" 1
455 1 34 ASP HA 1 37 GLY QA . . 5.340 3.637 3.298 4.277 . 0 0 "[ . 1 . 2]" 1
456 1 34 ASP HA 1 38 ALA H . . 5.060 4.368 4.075 4.755 . 0 0 "[ . 1 . 2]" 1
457 1 34 ASP QB 1 35 VAL H . . 3.630 2.599 2.381 2.749 . 0 0 "[ . 1 . 2]" 1
458 1 34 ASP QB 1 35 VAL HA . . 5.500 4.177 3.807 4.337 . 0 0 "[ . 1 . 2]" 1
459 1 34 ASP QB 1 36 MET H . . 5.430 4.733 4.634 4.880 . 0 0 "[ . 1 . 2]" 1
460 1 34 ASP QB 1 37 GLY H . . 5.450 4.879 4.675 5.204 . 0 0 "[ . 1 . 2]" 1
461 1 35 VAL H 1 35 VAL HB . . 3.850 2.582 2.440 2.775 . 0 0 "[ . 1 . 2]" 1
462 1 35 VAL H 1 36 MET H . . 3.780 2.630 2.532 2.733 . 0 0 "[ . 1 . 2]" 1
463 1 35 VAL H 1 37 GLY H . . 4.720 4.031 3.898 4.292 . 0 0 "[ . 1 . 2]" 1
464 1 35 VAL H 1 38 ALA MB . . 4.920 4.863 4.772 4.947 0.027 11 0 "[ . 1 . 2]" 1
465 1 35 VAL H 1 48 PHE QE . . 5.250 4.986 4.721 5.261 0.011 18 0 "[ . 1 . 2]" 1
466 1 35 VAL H 1 48 PHE HZ . . 5.500 5.208 5.000 5.405 . 0 0 "[ . 1 . 2]" 1
467 1 35 VAL H 1 80 TRP HZ3 . . 5.240 5.267 5.090 5.308 0.068 18 0 "[ . 1 . 2]" 1
468 1 35 VAL HA 1 38 ALA H . . 4.210 3.285 2.973 3.460 . 0 0 "[ . 1 . 2]" 1
469 1 35 VAL HA 1 38 ALA MB . . 3.930 2.697 2.513 2.836 . 0 0 "[ . 1 . 2]" 1
470 1 35 VAL HA 1 71 MET ME . . 4.620 3.136 2.534 3.506 . 0 0 "[ . 1 . 2]" 1
471 1 35 VAL HA 1 74 TYR QE . . 4.360 3.075 2.296 3.830 . 0 0 "[ . 1 . 2]" 1
472 1 35 VAL HB 1 36 MET H . . 4.100 2.820 2.383 4.121 0.021 5 0 "[ . 1 . 2]" 1
473 1 35 VAL HB 1 38 ALA MB . . 5.500 4.890 4.290 5.170 . 0 0 "[ . 1 . 2]" 1
474 1 35 VAL HB 1 48 PHE HZ . . 5.500 3.272 2.642 4.975 . 0 0 "[ . 1 . 2]" 1
475 1 35 VAL HB 1 58 PHE QD . . 5.090 4.664 4.355 5.121 0.031 1 0 "[ . 1 . 2]" 1
476 1 35 VAL HB 1 80 TRP HZ3 . . 5.500 4.140 2.553 4.667 . 0 0 "[ . 1 . 2]" 1
477 1 36 MET H 1 36 MET QB . . 3.490 2.422 2.377 2.441 . 0 0 "[ . 1 . 2]" 1
478 1 36 MET H 1 36 MET QG . . 3.860 2.399 2.328 2.500 . 0 0 "[ . 1 . 2]" 1
479 1 36 MET H 1 37 GLY H . . 3.980 2.673 2.619 2.760 . 0 0 "[ . 1 . 2]" 1
480 1 36 MET H 1 38 ALA H . . 5.260 4.151 4.025 4.229 . 0 0 "[ . 1 . 2]" 1
481 1 36 MET H 1 38 ALA MB . . 5.270 4.825 4.719 4.870 . 0 0 "[ . 1 . 2]" 1
482 1 36 MET H 1 48 PHE QE . . 5.360 4.193 3.990 4.440 . 0 0 "[ . 1 . 2]" 1
483 1 36 MET H 1 48 PHE HZ . . 5.400 3.614 3.437 3.828 . 0 0 "[ . 1 . 2]" 1
484 1 36 MET HA 1 36 MET ME . . 4.730 4.517 4.488 4.537 . 0 0 "[ . 1 . 2]" 1
485 1 36 MET HA 1 39 LEU H . . 3.890 3.348 3.274 3.454 . 0 0 "[ . 1 . 2]" 1
486 1 36 MET HA 1 40 THR H . . 5.030 3.992 3.868 4.148 . 0 0 "[ . 1 . 2]" 1
487 1 36 MET HA 1 48 PHE QE . . 5.500 3.526 3.363 3.756 . 0 0 "[ . 1 . 2]" 1
488 1 36 MET HA 1 48 PHE HZ . . 5.500 3.066 2.820 3.259 . 0 0 "[ . 1 . 2]" 1
489 1 36 MET QB 1 37 GLY H . . 3.780 2.729 2.669 2.820 . 0 0 "[ . 1 . 2]" 1
490 1 36 MET QB 1 38 ALA H . . 5.340 4.783 4.713 4.851 . 0 0 "[ . 1 . 2]" 1
491 1 36 MET HB2 1 37 GLY H . . 4.390 2.815 2.746 2.916 . 0 0 "[ . 1 . 2]" 1
492 1 36 MET HB3 1 37 GLY H . . 4.390 3.669 3.564 3.757 . 0 0 "[ . 1 . 2]" 1
493 1 36 MET ME 1 36 MET HG2 . . 3.870 2.440 2.415 2.460 . 0 0 "[ . 1 . 2]" 1
494 1 36 MET ME 1 36 MET QG . . 3.400 2.223 2.204 2.232 . 0 0 "[ . 1 . 2]" 1
495 1 36 MET ME 1 36 MET HG3 . . 3.870 2.562 2.544 2.591 . 0 0 "[ . 1 . 2]" 1
496 1 36 MET ME 1 48 PHE H . . 5.100 4.285 4.114 4.607 . 0 0 "[ . 1 . 2]" 1
497 1 36 MET ME 1 48 PHE HA . . 5.500 4.973 4.845 5.087 . 0 0 "[ . 1 . 2]" 1
498 1 36 MET ME 1 48 PHE HB2 . . 4.820 2.922 2.743 3.107 . 0 0 "[ . 1 . 2]" 1
499 1 36 MET ME 1 48 PHE QB . . 4.210 2.787 2.633 2.932 . 0 0 "[ . 1 . 2]" 1
500 1 36 MET ME 1 48 PHE HB3 . . 4.820 3.520 3.388 3.643 . 0 0 "[ . 1 . 2]" 1
501 1 36 MET ME 1 48 PHE QD . . 3.870 2.812 2.715 2.887 . 0 0 "[ . 1 . 2]" 1
502 1 36 MET ME 1 48 PHE QE . . 4.140 3.205 3.107 3.292 . 0 0 "[ . 1 . 2]" 1
503 1 36 MET ME 1 48 PHE HZ . . 5.250 3.928 3.740 4.073 . 0 0 "[ . 1 . 2]" 1
504 1 36 MET ME 2 32 THR HB . . 4.760 3.938 3.808 4.062 . 0 0 "[ . 1 . 2]" 1
505 1 36 MET ME 2 32 THR HG1 . . 4.810 2.961 2.788 3.144 . 0 0 "[ . 1 . 2]" 1
506 1 36 MET ME 2 36 MET ME . . 2.400 2.686 2.528 2.923 0.523 14 1 "[ . 1 +. 2]" 1
507 1 36 MET ME 2 48 PHE QB . . 4.240 2.597 2.407 2.947 . 0 0 "[ . 1 . 2]" 1
508 1 36 MET ME 2 48 PHE QD . . 3.850 3.093 2.860 3.515 . 0 0 "[ . 1 . 2]" 1
509 1 36 MET ME 2 50 LEU H . . 5.500 4.342 3.997 4.547 . 0 0 "[ . 1 . 2]" 1
510 1 36 MET ME 2 50 LEU HA . . 5.500 4.075 3.862 4.191 . 0 0 "[ . 1 . 2]" 1
511 1 36 MET ME 2 56 THR HA . . 5.500 4.803 4.626 4.918 . 0 0 "[ . 1 . 2]" 1
512 1 36 MET ME 2 56 THR HB . . 4.420 2.949 2.802 3.102 . 0 0 "[ . 1 . 2]" 1
513 1 36 MET ME 2 56 THR HG1 . . 4.670 3.514 3.319 3.648 . 0 0 "[ . 1 . 2]" 1
514 1 36 MET QG 1 37 GLY H . . 4.430 4.221 4.169 4.281 . 0 0 "[ . 1 . 2]" 1
515 1 36 MET QG 1 48 PHE QD . . 4.590 3.662 3.517 3.853 . 0 0 "[ . 1 . 2]" 1
516 1 36 MET QG 1 48 PHE QE . . 4.530 2.629 2.571 2.739 . 0 0 "[ . 1 . 2]" 1
517 1 36 MET QG 1 58 PHE QB . . 5.180 4.858 4.659 5.064 . 0 0 "[ . 1 . 2]" 1
518 1 36 MET HG2 1 48 PHE QD . . 5.260 3.915 3.754 4.132 . 0 0 "[ . 1 . 2]" 1
519 1 36 MET HG2 1 48 PHE QE . . 5.290 2.753 2.678 2.885 . 0 0 "[ . 1 . 2]" 1
520 1 36 MET HG2 1 48 PHE HZ . . 5.500 3.027 2.896 3.099 . 0 0 "[ . 1 . 2]" 1
521 1 36 MET HG3 1 48 PHE QD . . 5.260 4.405 4.242 4.606 . 0 0 "[ . 1 . 2]" 1
522 1 36 MET HG3 1 48 PHE QE . . 5.290 3.341 3.178 3.440 . 0 0 "[ . 1 . 2]" 1
523 1 36 MET HG3 1 48 PHE HZ . . 5.500 3.029 2.894 3.194 . 0 0 "[ . 1 . 2]" 1
524 1 37 GLY H 1 38 ALA H . . 3.530 2.675 2.578 2.759 . 0 0 "[ . 1 . 2]" 1
525 1 37 GLY H 1 38 ALA MB . . 4.550 4.341 4.249 4.404 . 0 0 "[ . 1 . 2]" 1
526 1 37 GLY H 1 39 LEU H . . 5.500 4.270 4.151 4.395 . 0 0 "[ . 1 . 2]" 1
527 1 37 GLY QA 1 38 ALA H . . 3.120 2.693 2.640 2.749 . 0 0 "[ . 1 . 2]" 1
528 1 37 GLY QA 1 39 LEU H . . 4.870 4.229 4.148 4.326 . 0 0 "[ . 1 . 2]" 1
529 1 37 GLY QA 1 40 THR H . . 3.950 3.455 3.337 3.575 . 0 0 "[ . 1 . 2]" 1
530 1 37 GLY QA 1 40 THR HB . . 4.340 2.719 2.564 2.827 . 0 0 "[ . 1 . 2]" 1
531 1 37 GLY QA 1 41 SER H . . 3.940 3.912 3.810 3.969 0.029 16 0 "[ . 1 . 2]" 1
532 1 37 GLY HA2 1 40 THR HB . . 5.040 2.749 2.591 2.861 . 0 0 "[ . 1 . 2]" 1
533 1 37 GLY HA3 1 40 THR HB . . 5.040 4.313 4.089 4.412 . 0 0 "[ . 1 . 2]" 1
534 1 38 ALA H 1 38 ALA MB . . 3.110 2.242 2.214 2.260 . 0 0 "[ . 1 . 2]" 1
535 1 38 ALA H 1 40 THR H . . 4.690 4.079 3.920 4.178 . 0 0 "[ . 1 . 2]" 1
536 1 38 ALA H 1 41 SER H . . 5.500 4.683 4.567 4.871 . 0 0 "[ . 1 . 2]" 1
537 1 38 ALA H 1 71 MET ME . . 4.600 4.539 4.345 4.674 0.074 11 0 "[ . 1 . 2]" 1
538 1 38 ALA H 1 74 TYR QE . . 5.370 5.055 4.259 5.418 0.048 16 0 "[ . 1 . 2]" 1
539 1 38 ALA HA 1 40 THR H . . 5.500 4.390 4.160 4.601 . 0 0 "[ . 1 . 2]" 1
540 1 38 ALA HA 1 41 SER H . . 5.140 3.460 3.327 3.591 . 0 0 "[ . 1 . 2]" 1
541 1 38 ALA HA 1 41 SER QB . . 4.340 2.761 2.441 3.182 . 0 0 "[ . 1 . 2]" 1
542 1 38 ALA HA 1 42 LEU H . . 5.500 3.986 3.843 4.219 . 0 0 "[ . 1 . 2]" 1
543 1 38 ALA HA 1 42 LEU QB . . 5.340 4.812 4.694 5.022 . 0 0 "[ . 1 . 2]" 1
544 1 38 ALA HA 1 42 LEU HG . . 5.500 3.571 3.426 3.695 . 0 0 "[ . 1 . 2]" 1
545 1 38 ALA MB 1 39 LEU H . . 3.690 2.364 2.279 2.438 . 0 0 "[ . 1 . 2]" 1
546 1 38 ALA MB 1 40 THR H . . 5.370 4.424 4.299 4.503 . 0 0 "[ . 1 . 2]" 1
547 1 38 ALA MB 1 41 SER H . . 4.920 4.580 4.483 4.704 . 0 0 "[ . 1 . 2]" 1
548 1 38 ALA MB 1 41 SER QB . . 4.760 4.103 3.802 4.482 . 0 0 "[ . 1 . 2]" 1
549 1 38 ALA MB 1 42 LEU H . . 5.500 4.501 4.383 4.699 . 0 0 "[ . 1 . 2]" 1
550 1 38 ALA MB 1 42 LEU HG . . 3.980 3.511 3.370 3.703 . 0 0 "[ . 1 . 2]" 1
551 1 38 ALA MB 1 44 MET ME . . 5.500 5.514 5.228 5.561 0.061 17 0 "[ . 1 . 2]" 1
552 1 38 ALA MB 1 71 MET ME . . 3.150 2.355 2.151 2.552 . 0 0 "[ . 1 . 2]" 1
553 1 38 ALA MB 1 74 TYR QB . . 5.160 3.657 3.203 4.021 . 0 0 "[ . 1 . 2]" 1
554 1 38 ALA MB 1 74 TYR QD . . 4.040 3.396 2.605 3.642 . 0 0 "[ . 1 . 2]" 1
555 1 38 ALA MB 1 74 TYR QE . . 3.990 3.237 2.461 3.739 . 0 0 "[ . 1 . 2]" 1
556 1 39 LEU H 1 39 LEU QB . . 3.660 2.413 2.304 2.495 . 0 0 "[ . 1 . 2]" 1
557 1 39 LEU H 1 39 LEU HG . . 4.010 2.243 1.865 2.430 . 0 0 "[ . 1 . 2]" 1
558 1 39 LEU H 1 40 THR H . . 4.170 2.715 2.672 2.786 . 0 0 "[ . 1 . 2]" 1
559 1 39 LEU H 1 40 THR HA . . 5.260 5.289 5.269 5.309 0.049 8 0 "[ . 1 . 2]" 1
560 1 39 LEU H 1 40 THR HB . . 5.500 4.914 4.869 4.989 . 0 0 "[ . 1 . 2]" 1
561 1 39 LEU H 1 41 SER H . . 4.640 4.195 4.067 4.496 . 0 0 "[ . 1 . 2]" 1
562 1 39 LEU H 1 42 LEU H . . 5.140 4.661 4.589 4.770 . 0 0 "[ . 1 . 2]" 1
563 1 39 LEU H 1 44 MET QB . . 5.340 5.057 4.371 5.220 . 0 0 "[ . 1 . 2]" 1
564 1 39 LEU H 1 45 THR H . . 5.500 5.530 5.418 5.769 0.269 9 0 "[ . 1 . 2]" 1
565 1 39 LEU H 1 71 MET ME . . 4.140 3.677 3.301 3.914 . 0 0 "[ . 1 . 2]" 1
566 1 39 LEU HA 1 40 THR HA . . 5.340 4.745 4.699 4.802 . 0 0 "[ . 1 . 2]" 1
567 1 39 LEU HA 1 42 LEU H . . 4.400 3.563 3.489 3.635 . 0 0 "[ . 1 . 2]" 1
568 1 39 LEU HA 1 42 LEU QB . . 4.900 2.776 2.595 2.947 . 0 0 "[ . 1 . 2]" 1
569 1 39 LEU HA 1 42 LEU HG . . 4.340 4.330 4.167 4.392 0.052 9 0 "[ . 1 . 2]" 1
570 1 39 LEU HA 1 43 LYS H . . 5.410 4.552 4.338 4.788 . 0 0 "[ . 1 . 2]" 1
571 1 39 LEU HA 1 44 MET H . . 4.850 3.336 3.235 3.442 . 0 0 "[ . 1 . 2]" 1
572 1 39 LEU HA 1 44 MET HB2 . . 5.340 2.575 1.945 2.742 . 0 0 "[ . 1 . 2]" 1
573 1 39 LEU HA 1 44 MET HB3 . . 5.340 4.241 3.543 4.407 . 0 0 "[ . 1 . 2]" 1
574 1 39 LEU HA 1 44 MET QG . . 5.340 3.532 3.213 3.920 . 0 0 "[ . 1 . 2]" 1
575 1 39 LEU HA 1 71 MET ME . . 4.400 4.107 3.210 4.464 0.064 8 0 "[ . 1 . 2]" 1
576 1 39 LEU QB 1 40 THR H . . 3.920 2.488 2.284 2.695 . 0 0 "[ . 1 . 2]" 1
577 1 39 LEU QB 1 43 LYS H . . 5.340 5.155 5.040 5.339 . 0 0 "[ . 1 . 2]" 1
578 1 39 LEU QB 1 43 LYS HA . . 5.340 5.338 5.097 5.470 0.130 15 0 "[ . 1 . 2]" 1
579 1 39 LEU QB 1 44 MET H . . 4.760 3.660 3.543 3.781 . 0 0 "[ . 1 . 2]" 1
580 1 39 LEU QB 1 44 MET QB . . 4.440 2.858 2.457 3.144 . 0 0 "[ . 1 . 2]" 1
581 1 39 LEU QB 1 45 THR H . . 4.280 2.234 2.075 2.615 . 0 0 "[ . 1 . 2]" 1
582 1 39 LEU HG 1 44 MET QB . . 4.370 4.388 4.289 4.415 0.045 18 0 "[ . 1 . 2]" 1
583 1 39 LEU HG 1 71 MET ME . . 3.520 2.734 2.185 3.462 . 0 0 "[ . 1 . 2]" 1
584 1 40 THR H 1 40 THR HB . . 4.200 2.497 2.448 2.531 . 0 0 "[ . 1 . 2]" 1
585 1 40 THR H 1 40 THR HG1 . . 4.760 2.185 2.107 2.363 . 0 0 "[ . 1 . 2]" 1
586 1 40 THR H 1 41 SER H . . 3.760 2.635 2.519 2.741 . 0 0 "[ . 1 . 2]" 1
587 1 40 THR H 1 42 LEU H . . 4.880 3.980 3.795 4.189 . 0 0 "[ . 1 . 2]" 1
588 1 40 THR H 1 43 LYS H . . 5.500 4.756 4.612 5.103 . 0 0 "[ . 1 . 2]" 1
589 1 40 THR H 1 44 MET H . . 4.970 4.932 4.691 5.018 0.048 17 0 "[ . 1 . 2]" 1
590 1 40 THR H 2 50 LEU HG . . 5.230 4.917 4.446 5.292 0.062 3 0 "[ . 1 . 2]" 1
591 1 40 THR HA 1 42 LEU H . . 5.500 4.367 4.095 4.553 . 0 0 "[ . 1 . 2]" 1
592 1 40 THR HA 1 43 LYS H . . 5.420 3.534 3.289 3.849 . 0 0 "[ . 1 . 2]" 1
593 1 40 THR HA 1 44 MET H . . 5.080 4.009 3.741 4.190 . 0 0 "[ . 1 . 2]" 1
594 1 40 THR HB 1 41 SER H . . 4.460 2.596 2.431 2.854 . 0 0 "[ . 1 . 2]" 1
595 1 40 THR HG1 1 41 SER H . . 5.430 4.101 4.026 4.238 . 0 0 "[ . 1 . 2]" 1
596 1 40 THR HG1 2 54 GLY H . . 5.350 4.689 4.419 5.024 . 0 0 "[ . 1 . 2]" 1
597 1 41 SER H 1 41 SER QB . . 3.210 2.347 2.208 2.470 . 0 0 "[ . 1 . 2]" 1
598 1 41 SER H 1 42 LEU H . . 3.670 2.499 2.450 2.548 . 0 0 "[ . 1 . 2]" 1
599 1 41 SER H 1 42 LEU QB . . 4.460 4.497 4.471 4.518 0.058 2 0 "[ . 1 . 2]" 1
600 1 41 SER H 1 43 LYS H . . 4.490 3.764 3.597 3.882 . 0 0 "[ . 1 . 2]" 1
601 1 41 SER QB 1 42 LEU H . . 4.040 2.678 2.535 2.875 . 0 0 "[ . 1 . 2]" 1
602 1 42 LEU H 1 42 LEU HB2 . . 3.830 2.367 2.333 2.404 . 0 0 "[ . 1 . 2]" 1
603 1 42 LEU H 1 42 LEU QB . . 3.260 2.336 2.304 2.369 . 0 0 "[ . 1 . 2]" 1
604 1 42 LEU H 1 42 LEU HB3 . . 3.830 3.586 3.566 3.611 . 0 0 "[ . 1 . 2]" 1
605 1 42 LEU H 1 42 LEU HG . . 4.620 2.525 2.438 2.594 . 0 0 "[ . 1 . 2]" 1
606 1 42 LEU H 1 43 LYS H . . 3.530 2.462 2.337 2.579 . 0 0 "[ . 1 . 2]" 1
607 1 42 LEU H 1 43 LYS HA . . 5.290 4.581 4.398 4.696 . 0 0 "[ . 1 . 2]" 1
608 1 42 LEU H 1 44 MET H . . 4.490 3.888 3.732 4.163 . 0 0 "[ . 1 . 2]" 1
609 1 42 LEU HA 1 42 LEU HG . . 4.200 3.127 3.071 3.173 . 0 0 "[ . 1 . 2]" 1
610 1 42 LEU HA 1 43 LYS QG . . 5.180 3.936 3.594 4.336 . 0 0 "[ . 1 . 2]" 1
611 1 42 LEU HA 1 67 GLN HE21 . . 5.500 3.880 2.092 5.533 0.033 6 0 "[ . 1 . 2]" 1
612 1 42 LEU QB 1 43 LYS H . . 4.040 3.382 3.250 3.523 . 0 0 "[ . 1 . 2]" 1
613 1 42 LEU QB 1 44 MET H . . 5.340 3.241 2.949 3.531 . 0 0 "[ . 1 . 2]" 1
614 1 42 LEU QB 1 67 GLN QB . . 5.340 2.515 2.108 2.981 . 0 0 "[ . 1 . 2]" 1
615 1 42 LEU QB 1 67 GLN QG . . 5.180 3.911 3.072 4.466 . 0 0 "[ . 1 . 2]" 1
616 1 43 LYS H 1 43 LYS QD . . 4.930 3.672 2.765 4.533 . 0 0 "[ . 1 . 2]" 1
617 1 43 LYS H 1 43 LYS QE . . 5.130 3.984 2.823 4.985 . 0 0 "[ . 1 . 2]" 1
618 1 43 LYS H 1 43 LYS QG . . 3.860 2.701 2.543 2.881 . 0 0 "[ . 1 . 2]" 1
619 1 43 LYS HA 1 43 LYS QD . . 4.020 2.848 1.807 4.107 0.087 3 0 "[ . 1 . 2]" 1
620 1 43 LYS HA 1 43 LYS QE . . 4.960 2.951 1.780 3.784 . 0 0 "[ . 1 . 2]" 1
621 1 43 LYS HA 1 45 THR H . . 5.500 4.417 4.051 5.695 0.195 9 0 "[ . 1 . 2]" 1
622 1 43 LYS HA 1 67 GLN HE21 . . 5.500 5.368 4.774 5.679 0.179 1 0 "[ . 1 . 2]" 1
623 1 43 LYS QB 1 43 LYS QE . . 3.770 2.596 1.789 3.829 0.059 9 0 "[ . 1 . 2]" 1
624 1 43 LYS QB 1 44 MET H . . 4.310 3.787 3.679 3.862 . 0 0 "[ . 1 . 2]" 1
625 1 43 LYS QB 1 67 GLN HE21 . . 5.500 2.868 1.886 3.726 . 0 0 "[ . 1 . 2]" 1
626 1 43 LYS QE 1 44 MET H . . 5.500 5.185 4.144 5.642 0.142 17 0 "[ . 1 . 2]" 1
627 1 44 MET H 1 44 MET QB . . 3.600 2.438 2.362 2.485 . 0 0 "[ . 1 . 2]" 1
628 1 44 MET H 1 44 MET ME . . 4.810 4.785 4.685 4.853 0.043 9 0 "[ . 1 . 2]" 1
629 1 44 MET H 1 44 MET HG2 . . 4.890 3.764 3.590 3.962 . 0 0 "[ . 1 . 2]" 1
630 1 44 MET H 1 44 MET QG . . 4.170 2.535 2.364 2.762 . 0 0 "[ . 1 . 2]" 1
631 1 44 MET H 1 44 MET HG3 . . 4.890 2.577 2.398 2.820 . 0 0 "[ . 1 . 2]" 1
632 1 44 MET H 1 45 THR H . . 4.740 2.577 2.241 3.843 . 0 0 "[ . 1 . 2]" 1
633 1 44 MET HA 1 44 MET ME . . 4.360 3.912 3.865 3.972 . 0 0 "[ . 1 . 2]" 1
634 1 44 MET QB 1 45 THR H . . 3.910 2.234 1.677 2.380 . 0 0 "[ . 1 . 2]" 1
635 1 44 MET QB 1 45 THR HA . . 5.000 4.105 3.974 4.229 . 0 0 "[ . 1 . 2]" 1
636 1 44 MET QB 1 46 ALA MB . . 4.430 3.953 3.699 4.219 . 0 0 "[ . 1 . 2]" 1
637 1 44 MET QB 1 60 SER QB . . 5.180 3.448 2.731 4.016 . 0 0 "[ . 1 . 2]" 1
638 1 44 MET HB2 1 44 MET ME . . 3.650 2.865 2.737 2.990 . 0 0 "[ . 1 . 2]" 1
639 1 44 MET HB2 1 45 THR H . . 4.540 2.311 2.197 2.434 . 0 0 "[ . 1 . 2]" 1
640 1 44 MET HB3 1 44 MET ME . . 3.650 2.043 1.991 2.085 . 0 0 "[ . 1 . 2]" 1
641 1 44 MET HB3 1 45 THR H . . 4.540 3.212 1.711 3.396 . 0 0 "[ . 1 . 2]" 1
642 1 44 MET ME 1 44 MET HG2 . . 3.920 2.531 2.485 2.583 . 0 0 "[ . 1 . 2]" 1
643 1 44 MET ME 1 44 MET QG . . 3.390 2.465 2.427 2.509 . 0 0 "[ . 1 . 2]" 1
644 1 44 MET ME 1 44 MET HG3 . . 3.920 3.402 3.391 3.411 . 0 0 "[ . 1 . 2]" 1
645 1 44 MET ME 1 45 THR H . . 4.720 4.524 3.174 4.727 0.007 5 0 "[ . 1 . 2]" 1
646 1 44 MET ME 1 58 PHE QE . . 4.650 3.539 3.167 3.975 . 0 0 "[ . 1 . 2]" 1
647 1 44 MET ME 1 60 SER H . . 5.500 4.813 4.595 5.037 . 0 0 "[ . 1 . 2]" 1
648 1 44 MET ME 1 60 SER HB2 . . 4.260 2.726 2.084 2.928 . 0 0 "[ . 1 . 2]" 1
649 1 44 MET ME 1 60 SER HB3 . . 4.260 2.898 2.712 3.209 . 0 0 "[ . 1 . 2]" 1
650 1 44 MET ME 1 63 THR HB . . 4.480 3.801 3.401 4.430 . 0 0 "[ . 1 . 2]" 1
651 1 44 MET ME 1 63 THR HG1 . . 5.360 4.795 4.033 5.381 0.021 10 0 "[ . 1 . 2]" 1
652 1 44 MET QG 1 45 THR H . . 4.610 3.959 3.692 4.062 . 0 0 "[ . 1 . 2]" 1
653 1 44 MET HG2 1 63 THR HB . . 5.500 3.002 2.395 3.683 . 0 0 "[ . 1 . 2]" 1
654 1 44 MET HG3 1 63 THR HB . . 5.500 4.523 3.946 5.256 . 0 0 "[ . 1 . 2]" 1
655 1 45 THR H 1 46 ALA H . . 5.500 3.970 3.813 4.161 . 0 0 "[ . 1 . 2]" 1
656 1 45 THR H 1 60 SER QB . . 5.340 5.275 4.348 5.397 0.057 15 0 "[ . 1 . 2]" 1
657 1 45 THR HA 1 46 ALA MB . . 5.030 3.868 3.807 3.958 . 0 0 "[ . 1 . 2]" 1
658 1 45 THR HA 2 50 LEU QB . . 5.340 3.478 3.272 3.785 . 0 0 "[ . 1 . 2]" 1
659 1 45 THR HA 2 50 LEU HG . . 5.440 4.252 3.467 5.094 . 0 0 "[ . 1 . 2]" 1
660 1 45 THR HB 1 46 ALA H . . 4.090 4.128 4.050 4.179 0.089 12 0 "[ . 1 . 2]" 1
661 1 46 ALA H 1 47 ASP H . . 5.330 4.340 4.251 4.389 . 0 0 "[ . 1 . 2]" 1
662 1 46 ALA H 1 58 PHE QB . . 5.340 4.932 4.684 5.109 . 0 0 "[ . 1 . 2]" 1
663 1 46 ALA H 1 60 SER QB . . 5.340 5.363 5.184 5.408 0.068 20 0 "[ . 1 . 2]" 1
664 1 46 ALA H 2 50 LEU H . . 4.600 3.689 2.918 4.082 . 0 0 "[ . 1 . 2]" 1
665 1 46 ALA H 2 50 LEU QB . . 4.370 2.350 2.156 2.642 . 0 0 "[ . 1 . 2]" 1
666 1 46 ALA H 2 50 LEU HG . . 4.970 4.157 3.842 4.971 0.001 11 0 "[ . 1 . 2]" 1
667 1 46 ALA HA 1 60 SER HB2 . . 5.430 4.148 3.993 4.599 . 0 0 "[ . 1 . 2]" 1
668 1 46 ALA HA 1 60 SER QB . . 4.660 3.956 3.853 4.050 . 0 0 "[ . 1 . 2]" 1
669 1 46 ALA HA 1 60 SER HB3 . . 5.430 5.051 4.322 5.180 . 0 0 "[ . 1 . 2]" 1
670 1 46 ALA HA 2 50 LEU QB . . 5.340 4.724 4.541 5.165 . 0 0 "[ . 1 . 2]" 1
671 1 46 ALA MB 1 47 ASP H . . 3.710 2.398 2.326 2.552 . 0 0 "[ . 1 . 2]" 1
672 1 46 ALA MB 1 47 ASP HA . . 5.080 4.118 4.067 4.162 . 0 0 "[ . 1 . 2]" 1
673 1 46 ALA MB 1 47 ASP QB . . 5.340 4.230 4.008 4.373 . 0 0 "[ . 1 . 2]" 1
674 1 46 ALA MB 1 48 PHE QE . . 4.440 2.466 2.217 2.643 . 0 0 "[ . 1 . 2]" 1
675 1 46 ALA MB 1 58 PHE HA . . 5.500 3.684 3.487 3.911 . 0 0 "[ . 1 . 2]" 1
676 1 46 ALA MB 1 58 PHE QB . . 4.430 1.949 1.823 2.116 . 0 0 "[ . 1 . 2]" 1
677 1 46 ALA MB 1 58 PHE QD . . 5.500 2.149 1.993 2.319 . 0 0 "[ . 1 . 2]" 1
678 1 46 ALA MB 1 59 ILE H . . 4.190 2.894 2.578 3.110 . 0 0 "[ . 1 . 2]" 1
679 1 46 ALA MB 1 59 ILE HB . . 5.070 4.470 4.108 4.658 . 0 0 "[ . 1 . 2]" 1
680 1 46 ALA MB 1 60 SER H . . 5.500 3.517 3.408 3.588 . 0 0 "[ . 1 . 2]" 1
681 1 46 ALA MB 1 60 SER HB2 . . 4.840 2.506 2.291 3.367 . 0 0 "[ . 1 . 2]" 1
682 1 46 ALA MB 1 60 SER QB . . 4.220 2.432 2.270 2.569 . 0 0 "[ . 1 . 2]" 1
683 1 46 ALA MB 1 60 SER HB3 . . 4.840 3.775 2.454 3.958 . 0 0 "[ . 1 . 2]" 1
684 1 46 ALA MB 2 50 LEU H . . 5.500 4.580 4.161 4.956 . 0 0 "[ . 1 . 2]" 1
685 1 47 ASP H 1 48 PHE H . . 5.340 4.297 4.257 4.349 . 0 0 "[ . 1 . 2]" 1
686 1 47 ASP H 1 58 PHE HA . . 5.500 4.203 4.018 4.410 . 0 0 "[ . 1 . 2]" 1
687 1 47 ASP H 1 58 PHE QB . . 5.240 3.554 3.351 3.734 . 0 0 "[ . 1 . 2]" 1
688 1 47 ASP H 1 58 PHE QD . . 5.240 4.441 4.274 4.608 . 0 0 "[ . 1 . 2]" 1
689 1 47 ASP H 1 59 ILE H . . 4.650 2.650 2.475 2.834 . 0 0 "[ . 1 . 2]" 1
690 1 47 ASP H 1 59 ILE HA . . 5.500 4.667 4.509 4.914 . 0 0 "[ . 1 . 2]" 1
691 1 47 ASP H 1 59 ILE HB . . 4.800 3.494 3.011 3.790 . 0 0 "[ . 1 . 2]" 1
692 1 47 ASP H 1 60 SER H . . 5.500 4.827 4.666 5.180 . 0 0 "[ . 1 . 2]" 1
693 1 47 ASP H 1 60 SER QB . . 5.340 5.041 4.899 5.235 . 0 0 "[ . 1 . 2]" 1
694 1 47 ASP HA 1 48 PHE QD . . 4.860 3.424 3.306 3.561 . 0 0 "[ . 1 . 2]" 1
695 1 47 ASP HA 1 59 ILE H . . 5.500 4.558 4.391 4.694 . 0 0 "[ . 1 . 2]" 1
696 1 47 ASP HA 2 49 ILE H . . 5.500 5.063 4.738 5.376 . 0 0 "[ . 1 . 2]" 1
697 1 47 ASP HA 2 49 ILE HA . . 4.510 2.476 2.290 2.709 . 0 0 "[ . 1 . 2]" 1
698 1 47 ASP HA 2 50 LEU H . . 4.700 3.150 2.876 3.794 . 0 0 "[ . 1 . 2]" 1
699 1 47 ASP QB 1 48 PHE H . . 5.170 3.410 3.275 3.901 . 0 0 "[ . 1 . 2]" 1
700 1 47 ASP QB 1 59 ILE H . . 5.040 3.127 2.960 3.453 . 0 0 "[ . 1 . 2]" 1
701 1 47 ASP QB 1 59 ILE HB . . 5.270 3.026 2.524 3.436 . 0 0 "[ . 1 . 2]" 1
702 1 48 PHE H 1 48 PHE QD . . 4.450 2.482 2.330 2.705 . 0 0 "[ . 1 . 2]" 1
703 1 48 PHE H 1 48 PHE QE . . 5.500 4.738 4.561 4.948 . 0 0 "[ . 1 . 2]" 1
704 1 48 PHE H 1 49 ILE H . . 5.090 4.236 4.181 4.346 . 0 0 "[ . 1 . 2]" 1
705 1 48 PHE H 1 49 ILE HA . . 5.360 4.879 4.781 4.970 . 0 0 "[ . 1 . 2]" 1
706 1 48 PHE H 1 58 PHE HA . . 5.500 4.408 4.282 4.545 . 0 0 "[ . 1 . 2]" 1
707 1 48 PHE H 1 58 PHE QB . . 5.340 4.298 4.099 4.541 . 0 0 "[ . 1 . 2]" 1
708 1 48 PHE H 1 59 ILE H . . 5.500 4.868 4.692 5.018 . 0 0 "[ . 1 . 2]" 1
709 1 48 PHE H 2 49 ILE HA . . 5.340 3.074 2.689 3.514 . 0 0 "[ . 1 . 2]" 1
710 1 48 PHE H 2 50 LEU H . . 5.440 3.728 3.435 4.169 . 0 0 "[ . 1 . 2]" 1
711 1 48 PHE HA 1 57 TYR H . . 5.250 3.880 3.668 4.112 . 0 0 "[ . 1 . 2]" 1
712 1 48 PHE HA 1 58 PHE H . . 5.500 4.441 4.348 4.586 . 0 0 "[ . 1 . 2]" 1
713 1 48 PHE HA 1 58 PHE HA . . 4.700 2.187 2.002 2.360 . 0 0 "[ . 1 . 2]" 1
714 1 48 PHE HA 1 58 PHE HB2 . . 5.500 3.615 3.389 3.889 . 0 0 "[ . 1 . 2]" 1
715 1 48 PHE HA 1 58 PHE HB3 . . 5.500 3.133 2.886 3.382 . 0 0 "[ . 1 . 2]" 1
716 1 48 PHE HA 1 59 ILE H . . 4.770 3.799 3.546 3.995 . 0 0 "[ . 1 . 2]" 1
717 1 48 PHE QB 1 49 ILE H . . 4.420 3.426 3.291 3.479 . 0 0 "[ . 1 . 2]" 1
718 1 48 PHE QB 1 56 THR HB . . 5.340 4.137 4.003 4.351 . 0 0 "[ . 1 . 2]" 1
719 1 48 PHE QB 1 58 PHE HA . . 5.340 4.198 4.024 4.333 . 0 0 "[ . 1 . 2]" 1
720 1 48 PHE QB 2 36 MET ME . . 4.240 2.587 2.386 2.831 . 0 0 "[ . 1 . 2]" 1
721 1 48 PHE HB2 1 49 ILE H . . 5.280 4.372 4.313 4.392 . 0 0 "[ . 1 . 2]" 1
722 1 48 PHE HB3 1 49 ILE H . . 5.280 3.581 3.414 3.649 . 0 0 "[ . 1 . 2]" 1
723 1 48 PHE QD 1 49 ILE H . . 5.080 4.585 4.436 4.697 . 0 0 "[ . 1 . 2]" 1
724 1 48 PHE QD 1 57 TYR H . . 5.480 4.419 4.188 4.792 . 0 0 "[ . 1 . 2]" 1
725 1 48 PHE QD 1 58 PHE HA . . 5.260 4.081 3.921 4.266 . 0 0 "[ . 1 . 2]" 1
726 1 48 PHE QD 1 58 PHE QB . . 4.840 2.923 2.824 3.083 . 0 0 "[ . 1 . 2]" 1
727 1 48 PHE QD 1 59 ILE H . . 5.500 4.998 4.717 5.261 . 0 0 "[ . 1 . 2]" 1
728 1 48 PHE QD 2 36 MET ME . . 3.850 3.058 2.935 3.273 . 0 0 "[ . 1 . 2]" 1
729 1 49 ILE H 1 49 ILE HB . . 3.690 2.551 2.463 2.636 . 0 0 "[ . 1 . 2]" 1
730 1 49 ILE H 1 50 LEU H . . 4.780 4.326 4.266 4.362 . 0 0 "[ . 1 . 2]" 1
731 1 49 ILE H 1 56 THR HA . . 5.050 4.708 4.586 4.839 . 0 0 "[ . 1 . 2]" 1
732 1 49 ILE H 1 56 THR HB . . 5.500 5.476 5.331 5.521 0.021 16 0 "[ . 1 . 2]" 1
733 1 49 ILE H 1 56 THR HG1 . . 4.710 3.113 2.982 3.158 . 0 0 "[ . 1 . 2]" 1
734 1 49 ILE H 1 57 TYR H . . 4.050 2.924 2.795 3.111 . 0 0 "[ . 1 . 2]" 1
735 1 49 ILE H 1 57 TYR HA . . 5.500 4.927 4.853 4.998 . 0 0 "[ . 1 . 2]" 1
736 1 49 ILE H 1 57 TYR QB . . 5.340 4.806 4.727 4.890 . 0 0 "[ . 1 . 2]" 1
737 1 49 ILE H 1 57 TYR QD . . 4.960 4.134 4.016 4.262 . 0 0 "[ . 1 . 2]" 1
738 1 49 ILE H 1 57 TYR QE . . 5.430 4.415 4.179 4.598 . 0 0 "[ . 1 . 2]" 1
739 1 49 ILE H 1 58 PHE H . . 5.500 4.996 4.847 5.121 . 0 0 "[ . 1 . 2]" 1
740 1 49 ILE H 1 58 PHE HA . . 4.460 3.198 2.971 3.401 . 0 0 "[ . 1 . 2]" 1
741 1 49 ILE H 2 47 ASP HA . . 5.500 5.044 4.723 5.465 . 0 0 "[ . 1 . 2]" 1
742 1 49 ILE HA 1 50 LEU H . . 3.570 2.050 2.007 2.086 . 0 0 "[ . 1 . 2]" 1
743 1 49 ILE HA 1 50 LEU HA . . 5.320 4.325 4.274 4.361 . 0 0 "[ . 1 . 2]" 1
744 1 49 ILE HA 1 50 LEU QB . . 5.330 3.958 3.846 4.030 . 0 0 "[ . 1 . 2]" 1
745 1 49 ILE HA 2 47 ASP HA . . 4.510 2.475 2.232 2.826 . 0 0 "[ . 1 . 2]" 1
746 1 49 ILE HA 2 48 PHE H . . 5.340 3.090 2.863 3.386 . 0 0 "[ . 1 . 2]" 1
747 1 49 ILE HB 1 56 THR HA . . 5.440 5.050 4.836 5.272 . 0 0 "[ . 1 . 2]" 1
748 1 49 ILE HB 1 57 TYR H . . 4.260 3.841 3.657 3.949 . 0 0 "[ . 1 . 2]" 1
749 1 49 ILE HB 1 57 TYR QE . . 5.390 2.814 2.520 3.154 . 0 0 "[ . 1 . 2]" 1
750 1 50 LEU H 1 50 LEU HB2 . . 4.190 2.726 2.628 2.879 . 0 0 "[ . 1 . 2]" 1
751 1 50 LEU H 1 50 LEU QB . . 3.640 2.268 2.214 2.343 . 0 0 "[ . 1 . 2]" 1
752 1 50 LEU H 1 50 LEU HB3 . . 4.190 2.425 2.377 2.487 . 0 0 "[ . 1 . 2]" 1
753 1 50 LEU H 1 50 LEU HG . . 5.000 4.634 4.403 4.776 . 0 0 "[ . 1 . 2]" 1
754 1 50 LEU H 1 51 GLN H . . 5.090 4.384 4.306 4.439 . 0 0 "[ . 1 . 2]" 1
755 1 50 LEU H 1 51 GLN HA . . 5.350 5.083 4.997 5.175 . 0 0 "[ . 1 . 2]" 1
756 1 50 LEU H 1 56 THR HA . . 5.500 4.818 4.759 4.885 . 0 0 "[ . 1 . 2]" 1
757 1 50 LEU H 1 56 THR HB . . 5.500 4.723 4.664 4.793 . 0 0 "[ . 1 . 2]" 1
758 1 50 LEU H 1 56 THR HG1 . . 5.500 3.514 3.446 3.575 . 0 0 "[ . 1 . 2]" 1
759 1 50 LEU H 1 57 TYR H . . 5.500 5.139 5.055 5.222 . 0 0 "[ . 1 . 2]" 1
760 1 50 LEU H 1 57 TYR QE . . 5.500 5.559 5.526 5.586 0.086 10 0 "[ . 1 . 2]" 1
761 1 50 LEU H 2 36 MET ME . . 5.500 4.360 4.230 4.540 . 0 0 "[ . 1 . 2]" 1
762 1 50 LEU H 2 46 ALA H . . 4.600 3.619 2.933 4.069 . 0 0 "[ . 1 . 2]" 1
763 1 50 LEU H 2 46 ALA MB . . 5.500 4.536 4.111 5.014 . 0 0 "[ . 1 . 2]" 1
764 1 50 LEU H 2 47 ASP HA . . 4.700 3.170 2.710 3.801 . 0 0 "[ . 1 . 2]" 1
765 1 50 LEU H 2 48 PHE H . . 5.440 3.750 3.484 4.234 . 0 0 "[ . 1 . 2]" 1
766 1 50 LEU HA 1 56 THR HB . . 5.010 2.544 2.442 2.578 . 0 0 "[ . 1 . 2]" 1
767 1 50 LEU HA 2 36 MET ME . . 5.500 4.086 3.884 4.235 . 0 0 "[ . 1 . 2]" 1
768 1 50 LEU QB 1 51 GLN H . . 4.430 3.709 3.597 3.749 . 0 0 "[ . 1 . 2]" 1
769 1 50 LEU QB 2 45 THR HA . . 5.340 3.465 3.055 3.780 . 0 0 "[ . 1 . 2]" 1
770 1 50 LEU QB 2 46 ALA H . . 4.370 2.336 2.043 2.628 . 0 0 "[ . 1 . 2]" 1
771 1 50 LEU QB 2 46 ALA HA . . 5.340 4.722 4.472 5.188 . 0 0 "[ . 1 . 2]" 1
772 1 50 LEU HG 1 51 GLN H . . 4.610 4.335 2.887 4.704 0.094 11 0 "[ . 1 . 2]" 1
773 1 50 LEU HG 2 40 THR H . . 5.230 4.850 4.312 5.293 0.063 1 0 "[ . 1 . 2]" 1
774 1 50 LEU HG 2 45 THR HA . . 5.440 4.311 3.429 5.140 . 0 0 "[ . 1 . 2]" 1
775 1 50 LEU HG 2 46 ALA H . . 4.970 4.158 3.678 4.938 . 0 0 "[ . 1 . 2]" 1
776 1 51 GLN H 1 51 GLN HB2 . . 3.920 2.623 2.546 2.707 . 0 0 "[ . 1 . 2]" 1
777 1 51 GLN H 1 51 GLN QB . . 3.440 2.276 2.227 2.327 . 0 0 "[ . 1 . 2]" 1
778 1 51 GLN H 1 51 GLN HB3 . . 3.920 2.500 2.442 2.563 . 0 0 "[ . 1 . 2]" 1
779 1 51 GLN H 1 52 SER H . . 5.480 4.516 4.464 4.560 . 0 0 "[ . 1 . 2]" 1
780 1 51 GLN H 1 54 GLY H . . 5.310 4.052 3.897 4.169 . 0 0 "[ . 1 . 2]" 1
781 1 51 GLN H 1 54 GLY QA . . 5.340 4.704 4.479 4.924 . 0 0 "[ . 1 . 2]" 1
782 1 51 GLN H 1 55 LEU H . . 4.710 3.305 3.012 3.657 . 0 0 "[ . 1 . 2]" 1
783 1 51 GLN H 1 56 THR H . . 5.500 4.749 4.687 4.866 . 0 0 "[ . 1 . 2]" 1
784 1 51 GLN H 1 56 THR HA . . 4.620 2.894 2.782 3.067 . 0 0 "[ . 1 . 2]" 1
785 1 51 GLN H 1 56 THR HB . . 5.180 3.842 3.672 3.926 . 0 0 "[ . 1 . 2]" 1
786 1 51 GLN H 1 57 TYR QD . . 5.500 4.604 4.404 4.813 . 0 0 "[ . 1 . 2]" 1
787 1 51 GLN H 1 57 TYR QE . . 5.230 4.892 4.706 5.244 0.014 10 0 "[ . 1 . 2]" 1
788 1 51 GLN QB 1 53 ASP H . . 3.620 2.846 2.750 2.922 . 0 0 "[ . 1 . 2]" 1
789 1 51 GLN QB 1 54 GLY H . . 4.550 3.270 3.086 3.390 . 0 0 "[ . 1 . 2]" 1
790 1 51 GLN QB 1 55 LEU H . . 3.880 2.675 2.498 2.843 . 0 0 "[ . 1 . 2]" 1
791 1 51 GLN QB 1 56 THR HA . . 5.340 3.628 3.411 3.921 . 0 0 "[ . 1 . 2]" 1
792 1 51 GLN QB 1 57 TYR QD . . 4.380 3.486 3.151 3.953 . 0 0 "[ . 1 . 2]" 1
793 1 51 GLN QB 1 57 TYR QE . . 4.420 3.331 2.937 3.800 . 0 0 "[ . 1 . 2]" 1
794 1 51 GLN HB2 1 55 LEU H . . 4.440 4.241 4.045 4.450 0.010 7 0 "[ . 1 . 2]" 1
795 1 51 GLN HB3 1 55 LEU H . . 4.440 2.705 2.522 2.877 . 0 0 "[ . 1 . 2]" 1
796 1 51 GLN HE21 1 52 SER H . . 5.500 5.621 5.594 5.667 0.167 17 0 "[ . 1 . 2]" 1
797 1 51 GLN HE21 1 53 ASP H . . 4.740 4.318 4.203 4.430 . 0 0 "[ . 1 . 2]" 1
798 1 51 GLN HE21 1 54 GLY H . . 5.450 5.466 5.375 5.529 0.079 4 0 "[ . 1 . 2]" 1
799 1 51 GLN HE21 1 55 LEU H . . 4.780 4.635 4.052 4.805 0.025 3 0 "[ . 1 . 2]" 1
800 1 51 GLN HE21 1 55 LEU HB2 . . 5.500 3.320 2.891 3.754 . 0 0 "[ . 1 . 2]" 1
801 1 51 GLN HE21 1 55 LEU HB3 . . 5.500 4.809 4.250 5.340 . 0 0 "[ . 1 . 2]" 1
802 1 51 GLN HE21 1 55 LEU HG . . 5.220 4.505 3.829 5.091 . 0 0 "[ . 1 . 2]" 1
803 1 51 GLN QG 1 52 SER H . . 5.030 1.905 1.868 1.964 . 0 0 "[ . 1 . 2]" 1
804 1 51 GLN QG 1 53 ASP H . . 3.550 2.038 1.851 2.287 . 0 0 "[ . 1 . 2]" 1
805 1 51 GLN QG 1 54 GLY H . . 4.280 4.019 3.869 4.197 . 0 0 "[ . 1 . 2]" 1
806 1 52 SER H 1 53 ASP H . . 4.190 2.523 2.402 2.648 . 0 0 "[ . 1 . 2]" 1
807 1 52 SER H 1 54 GLY H . . 5.130 4.193 4.116 4.276 . 0 0 "[ . 1 . 2]" 1
808 1 52 SER H 1 55 LEU H . . 5.500 5.329 5.185 5.488 . 0 0 "[ . 1 . 2]" 1
809 1 52 SER HA 1 54 GLY H . . 5.480 3.595 3.503 3.704 . 0 0 "[ . 1 . 2]" 1
810 1 53 ASP H 1 53 ASP QB . . 3.620 2.269 2.231 2.428 . 0 0 "[ . 1 . 2]" 1
811 1 53 ASP H 1 54 GLY H . . 3.480 2.491 2.439 2.551 . 0 0 "[ . 1 . 2]" 1
812 1 53 ASP QB 1 54 GLY H . . 4.470 3.180 3.070 3.376 . 0 0 "[ . 1 . 2]" 1
813 1 53 ASP QB 1 55 LEU H . . 5.340 3.262 3.000 3.596 . 0 0 "[ . 1 . 2]" 1
814 1 54 GLY H 2 40 THR HG1 . . 5.350 4.654 4.360 5.124 . 0 0 "[ . 1 . 2]" 1
815 1 55 LEU H 1 55 LEU QB . . 3.570 2.594 2.465 2.648 . 0 0 "[ . 1 . 2]" 1
816 1 55 LEU H 1 55 LEU HG . . 3.630 3.061 2.687 3.185 . 0 0 "[ . 1 . 2]" 1
817 1 55 LEU H 1 56 THR H . . 4.720 4.430 4.357 4.573 . 0 0 "[ . 1 . 2]" 1
818 1 55 LEU QB 1 56 THR H . . 3.610 2.545 2.386 2.664 . 0 0 "[ . 1 . 2]" 1
819 1 55 LEU HB2 1 56 THR H . . 4.260 3.682 3.566 3.788 . 0 0 "[ . 1 . 2]" 1
820 1 55 LEU HB3 1 56 THR H . . 4.260 2.594 2.424 2.722 . 0 0 "[ . 1 . 2]" 1
821 1 55 LEU HG 1 56 THR H . . 5.240 5.043 4.960 5.088 . 0 0 "[ . 1 . 2]" 1
822 1 56 THR H 1 56 THR HG1 . . 5.280 4.487 4.462 4.516 . 0 0 "[ . 1 . 2]" 1
823 1 56 THR H 1 57 TYR H . . 4.540 4.395 4.366 4.415 . 0 0 "[ . 1 . 2]" 1
824 1 56 THR HA 1 57 TYR QD . . 5.110 3.119 2.971 3.215 . 0 0 "[ . 1 . 2]" 1
825 1 56 THR HA 2 36 MET ME . . 5.500 4.809 4.684 4.911 . 0 0 "[ . 1 . 2]" 1
826 1 56 THR HB 1 57 TYR H . . 4.410 3.897 3.848 4.002 . 0 0 "[ . 1 . 2]" 1
827 1 56 THR HB 2 36 MET ME . . 4.420 2.956 2.819 3.077 . 0 0 "[ . 1 . 2]" 1
828 1 56 THR HG1 1 57 TYR H . . 3.620 2.195 2.077 2.307 . 0 0 "[ . 1 . 2]" 1
829 1 56 THR HG1 2 36 MET ME . . 4.670 3.516 3.390 3.633 . 0 0 "[ . 1 . 2]" 1
830 1 57 TYR H 1 57 TYR QD . . 4.390 2.655 2.265 2.825 . 0 0 "[ . 1 . 2]" 1
831 1 57 TYR H 1 57 TYR QE . . 5.140 4.210 4.057 4.292 . 0 0 "[ . 1 . 2]" 1
832 1 57 TYR H 1 58 PHE H . . 5.200 4.319 4.279 4.348 . 0 0 "[ . 1 . 2]" 1
833 1 57 TYR HB2 1 58 PHE H . . 4.240 2.783 2.604 2.929 . 0 0 "[ . 1 . 2]" 1
834 1 57 TYR HB3 1 58 PHE H . . 4.240 4.011 3.917 4.112 . 0 0 "[ . 1 . 2]" 1
835 1 57 TYR QD 1 58 PHE H . . 4.300 3.698 3.380 3.919 . 0 0 "[ . 1 . 2]" 1
836 1 57 TYR QD 1 59 ILE HG12 . . 4.320 4.117 3.147 4.375 0.055 18 0 "[ . 1 . 2]" 1
837 1 57 TYR QE 1 59 ILE HB . . 5.500 5.517 5.473 5.563 0.063 13 0 "[ . 1 . 2]" 1
838 1 57 TYR QE 1 59 ILE HG12 . . 4.070 3.370 2.807 3.678 . 0 0 "[ . 1 . 2]" 1
839 1 58 PHE H 1 58 PHE QD . . 4.110 2.753 2.564 2.890 . 0 0 "[ . 1 . 2]" 1
840 1 58 PHE H 1 59 ILE H . . 5.500 4.394 4.371 4.414 . 0 0 "[ . 1 . 2]" 1
841 1 58 PHE QB 1 59 ILE H . . 4.120 2.733 2.610 2.816 . 0 0 "[ . 1 . 2]" 1
842 1 58 PHE QD 1 59 ILE H . . 4.650 3.613 3.439 3.729 . 0 0 "[ . 1 . 2]" 1
843 1 58 PHE QD 1 59 ILE HA . . 4.870 3.438 3.226 3.701 . 0 0 "[ . 1 . 2]" 1
844 1 58 PHE QD 1 60 SER H . . 5.060 3.057 2.898 3.195 . 0 0 "[ . 1 . 2]" 1
845 1 58 PHE QD 1 60 SER HB2 . . 4.980 2.762 2.509 4.299 . 0 0 "[ . 1 . 2]" 1
846 1 58 PHE QD 1 60 SER QB . . 4.310 2.639 2.476 2.802 . 0 0 "[ . 1 . 2]" 1
847 1 58 PHE QD 1 60 SER HB3 . . 4.980 3.875 2.671 4.111 . 0 0 "[ . 1 . 2]" 1
848 1 58 PHE QD 1 71 MET ME . . 4.570 4.343 4.069 4.694 0.124 3 0 "[ . 1 . 2]" 1
849 1 58 PHE QD 1 71 MET QG . . 5.500 5.031 4.538 5.528 0.028 15 0 "[ . 1 . 2]" 1
850 1 58 PHE QD 1 80 TRP HZ3 . . 5.450 4.605 3.833 4.912 . 0 0 "[ . 1 . 2]" 1
851 1 58 PHE QE 1 60 SER HB2 . . 4.610 2.760 2.301 4.028 . 0 0 "[ . 1 . 2]" 1
852 1 58 PHE QE 1 60 SER HB3 . . 4.610 3.532 2.538 3.873 . 0 0 "[ . 1 . 2]" 1
853 1 58 PHE QE 1 71 MET ME . . 3.930 3.044 2.830 3.456 . 0 0 "[ . 1 . 2]" 1
854 1 58 PHE QE 1 71 MET QG . . 5.230 3.245 2.598 3.934 . 0 0 "[ . 1 . 2]" 1
855 1 58 PHE QE 1 80 TRP HZ3 . . 4.890 3.155 2.717 3.482 . 0 0 "[ . 1 . 2]" 1
856 1 58 PHE HZ 1 71 MET ME . . 4.090 2.451 2.248 3.309 . 0 0 "[ . 1 . 2]" 1
857 1 59 ILE H 1 59 ILE HB . . 4.210 2.855 2.744 2.972 . 0 0 "[ . 1 . 2]" 1
858 1 59 ILE H 1 60 SER H . . 5.480 4.190 4.100 4.253 . 0 0 "[ . 1 . 2]" 1
859 1 59 ILE HB 1 60 SER H . . 5.130 4.072 4.012 4.172 . 0 0 "[ . 1 . 2]" 1
860 1 61 LYS HA 1 61 LYS HE2 . . 5.500 4.621 3.100 5.237 . 0 0 "[ . 1 . 2]" 1
861 1 61 LYS HA 1 61 LYS HE3 . . 5.500 4.757 2.398 5.405 . 0 0 "[ . 1 . 2]" 1
862 1 61 LYS QB 1 61 LYS QE . . 4.280 3.086 1.884 3.889 . 0 0 "[ . 1 . 2]" 1
863 1 61 LYS QB 1 62 PRO QD . . 4.070 2.163 1.972 2.397 . 0 0 "[ . 1 . 2]" 1
864 1 61 LYS HB2 1 61 LYS HE2 . . 5.500 3.962 2.312 4.762 . 0 0 "[ . 1 . 2]" 1
865 1 61 LYS HB2 1 61 LYS HE3 . . 5.500 4.056 2.042 5.507 0.007 17 0 "[ . 1 . 2]" 1
866 1 61 LYS HB3 1 61 LYS HE2 . . 5.500 4.062 1.935 4.846 . 0 0 "[ . 1 . 2]" 1
867 1 61 LYS HB3 1 61 LYS HE3 . . 5.500 4.304 2.698 5.525 0.025 1 0 "[ . 1 . 2]" 1
868 1 63 THR H 1 64 SER H . . 4.950 4.233 4.147 4.293 . 0 0 "[ . 1 . 2]" 1
869 1 63 THR HB 1 64 SER H . . 5.430 3.576 3.506 3.747 . 0 0 "[ . 1 . 2]" 1
870 1 63 THR HB 1 67 GLN QB . . 5.500 3.930 3.769 4.186 . 0 0 "[ . 1 . 2]" 1
871 1 63 THR HB 1 68 LEU H . . 5.500 5.449 5.262 5.548 0.048 10 0 "[ . 1 . 2]" 1
872 1 63 THR HG1 1 64 SER H . . 4.010 2.684 2.324 2.972 . 0 0 "[ . 1 . 2]" 1
873 1 64 SER H 1 64 SER QB . . 3.480 2.685 2.446 2.789 . 0 0 "[ . 1 . 2]" 1
874 1 64 SER H 1 65 ASP H . . 5.080 4.612 4.548 4.675 . 0 0 "[ . 1 . 2]" 1
875 1 64 SER H 1 67 GLN H . . 4.490 3.881 3.698 4.238 . 0 0 "[ . 1 . 2]" 1
876 1 64 SER H 1 67 GLN QB . . 4.190 2.879 2.557 3.229 . 0 0 "[ . 1 . 2]" 1
877 1 64 SER QB 1 66 ALA H . . 3.400 2.875 2.597 3.214 . 0 0 "[ . 1 . 2]" 1
878 1 64 SER QB 1 67 GLN H . . 4.270 3.495 2.740 3.813 . 0 0 "[ . 1 . 2]" 1
879 1 64 SER HB2 1 65 ASP H . . 5.250 2.789 2.377 3.836 . 0 0 "[ . 1 . 2]" 1
880 1 64 SER HB3 1 65 ASP H . . 5.250 3.719 2.682 4.039 . 0 0 "[ . 1 . 2]" 1
881 1 65 ASP H 1 65 ASP QB . . 3.700 2.434 2.208 2.674 . 0 0 "[ . 1 . 2]" 1
882 1 65 ASP H 1 66 ALA H . . 3.880 2.660 2.499 2.931 . 0 0 "[ . 1 . 2]" 1
883 1 65 ASP H 1 66 ALA MB . . 4.980 4.318 4.120 4.625 . 0 0 "[ . 1 . 2]" 1
884 1 65 ASP H 1 67 GLN H . . 5.340 4.341 4.009 4.449 . 0 0 "[ . 1 . 2]" 1
885 1 65 ASP HA 1 68 LEU HA . . 5.500 5.008 4.686 5.497 . 0 0 "[ . 1 . 2]" 1
886 1 65 ASP HA 1 68 LEU QB . . 4.220 2.338 1.822 3.915 . 0 0 "[ . 1 . 2]" 1
887 1 65 ASP HA 1 68 LEU HG . . 4.370 3.500 1.791 4.469 0.099 14 0 "[ . 1 . 2]" 1
888 1 65 ASP HA 1 69 LYS H . . 4.670 3.685 3.463 3.844 . 0 0 "[ . 1 . 2]" 1
889 1 65 ASP QB 1 66 ALA H . . 3.490 3.202 2.525 3.553 0.063 16 0 "[ . 1 . 2]" 1
890 1 65 ASP QB 1 66 ALA HA . . 5.160 4.390 4.175 4.660 . 0 0 "[ . 1 . 2]" 1
891 1 65 ASP QB 1 68 LEU H . . 5.500 4.993 4.887 5.097 . 0 0 "[ . 1 . 2]" 1
892 1 65 ASP QB 1 68 LEU QB . . 5.070 3.976 3.348 5.134 0.064 10 0 "[ . 1 . 2]" 1
893 1 65 ASP QB 1 69 LYS H . . 5.400 4.601 4.168 5.102 . 0 0 "[ . 1 . 2]" 1
894 1 66 ALA H 1 66 ALA MB . . 3.160 2.241 2.211 2.281 . 0 0 "[ . 1 . 2]" 1
895 1 66 ALA H 1 67 GLN H . . 3.730 2.748 2.603 2.857 . 0 0 "[ . 1 . 2]" 1
896 1 66 ALA H 1 67 GLN QG . . 5.130 4.360 4.022 4.570 . 0 0 "[ . 1 . 2]" 1
897 1 66 ALA H 1 68 LEU H . . 4.640 4.123 3.947 4.452 . 0 0 "[ . 1 . 2]" 1
898 1 66 ALA H 1 69 LYS QB . . 4.960 5.059 4.957 5.113 0.153 3 0 "[ . 1 . 2]" 1
899 1 66 ALA HA 1 69 LYS H . . 4.280 3.801 3.517 4.125 . 0 0 "[ . 1 . 2]" 1
900 1 66 ALA HA 1 69 LYS QB . . 4.020 3.615 3.340 3.907 . 0 0 "[ . 1 . 2]" 1
901 1 66 ALA HA 1 69 LYS QD . . 4.750 2.554 1.823 4.405 . 0 0 "[ . 1 . 2]" 1
902 1 66 ALA HA 1 70 ALA H . . 5.430 4.791 4.440 5.254 . 0 0 "[ . 1 . 2]" 1
903 1 66 ALA MB 1 67 GLN H . . 3.840 2.567 2.413 2.780 . 0 0 "[ . 1 . 2]" 1
904 1 66 ALA MB 1 67 GLN HA . . 4.670 3.880 3.806 3.967 . 0 0 "[ . 1 . 2]" 1
905 1 66 ALA MB 1 67 GLN QG . . 4.390 3.058 2.842 3.411 . 0 0 "[ . 1 . 2]" 1
906 1 67 GLN H 1 67 GLN QG . . 4.090 2.252 2.062 2.425 . 0 0 "[ . 1 . 2]" 1
907 1 67 GLN H 1 68 LEU H . . 4.270 2.427 2.312 2.544 . 0 0 "[ . 1 . 2]" 1
908 1 67 GLN H 1 68 LEU HA . . 5.500 5.078 4.982 5.161 . 0 0 "[ . 1 . 2]" 1
909 1 67 GLN H 1 69 LYS H . . 5.150 4.041 3.862 4.208 . 0 0 "[ . 1 . 2]" 1
910 1 67 GLN HA 1 69 LYS QG . . 4.060 4.117 4.027 4.163 0.103 7 0 "[ . 1 . 2]" 1
911 1 67 GLN HA 1 70 ALA H . . 4.580 3.865 3.542 4.360 . 0 0 "[ . 1 . 2]" 1
912 1 67 GLN HA 1 70 ALA MB . . 4.180 3.459 2.882 4.181 0.001 17 0 "[ . 1 . 2]" 1
913 1 67 GLN QB 1 68 LEU H . . 5.020 2.378 2.168 2.761 . 0 0 "[ . 1 . 2]" 1
914 1 67 GLN QB 1 69 LYS H . . 5.500 4.693 4.461 5.036 . 0 0 "[ . 1 . 2]" 1
915 1 68 LEU H 1 68 LEU QB . . 3.610 2.210 2.073 2.566 . 0 0 "[ . 1 . 2]" 1
916 1 68 LEU H 1 68 LEU HG . . 5.500 3.972 2.196 4.489 . 0 0 "[ . 1 . 2]" 1
917 1 68 LEU H 1 69 LYS H . . 4.130 2.823 2.651 2.921 . 0 0 "[ . 1 . 2]" 1
918 1 68 LEU HA 1 71 MET H . . 4.600 3.670 3.122 4.013 . 0 0 "[ . 1 . 2]" 1
919 1 68 LEU HA 1 71 MET QG . . 5.500 4.510 3.982 5.130 . 0 0 "[ . 1 . 2]" 1
920 1 68 LEU HA 1 72 LYS H . . 5.500 4.241 3.932 4.760 . 0 0 "[ . 1 . 2]" 1
921 1 68 LEU QB 1 69 LYS H . . 3.540 2.617 2.144 3.608 0.068 17 0 "[ . 1 . 2]" 1
922 1 68 LEU HG 1 69 LYS H . . 5.500 3.325 2.268 4.695 . 0 0 "[ . 1 . 2]" 1
923 1 69 LYS H 1 69 LYS QB . . 3.150 2.328 2.269 2.429 . 0 0 "[ . 1 . 2]" 1
924 1 69 LYS H 1 69 LYS QD . . 5.500 3.870 3.406 4.301 . 0 0 "[ . 1 . 2]" 1
925 1 69 LYS H 1 69 LYS QE . . 5.400 4.594 3.760 5.012 . 0 0 "[ . 1 . 2]" 1
926 1 69 LYS H 1 69 LYS QG . . 4.270 2.358 2.250 2.489 . 0 0 "[ . 1 . 2]" 1
927 1 69 LYS H 1 70 ALA H . . 3.840 2.775 2.676 2.896 . 0 0 "[ . 1 . 2]" 1
928 1 69 LYS H 1 70 ALA MB . . 5.120 4.459 4.350 4.561 . 0 0 "[ . 1 . 2]" 1
929 1 69 LYS H 1 71 MET H . . 5.040 4.249 4.102 4.397 . 0 0 "[ . 1 . 2]" 1
930 1 69 LYS H 1 72 LYS H . . 5.310 4.900 4.683 5.249 . 0 0 "[ . 1 . 2]" 1
931 1 69 LYS HA 1 69 LYS QD . . 4.790 4.418 3.842 4.593 . 0 0 "[ . 1 . 2]" 1
932 1 69 LYS HA 1 69 LYS QE . . 4.970 4.299 3.934 5.174 0.204 10 0 "[ . 1 . 2]" 1
933 1 69 LYS HA 1 69 LYS QG . . 3.590 3.363 3.236 3.476 . 0 0 "[ . 1 . 2]" 1
934 1 69 LYS HA 1 71 MET H . . 5.500 4.379 4.167 4.640 . 0 0 "[ . 1 . 2]" 1
935 1 69 LYS HA 1 72 LYS H . . 4.510 3.650 3.393 3.923 . 0 0 "[ . 1 . 2]" 1
936 1 69 LYS HA 1 72 LYS HB2 . . 5.240 4.468 3.010 5.314 0.074 3 0 "[ . 1 . 2]" 1
937 1 69 LYS HA 1 72 LYS QB . . 4.380 3.982 2.969 4.437 0.057 7 0 "[ . 1 . 2]" 1
938 1 69 LYS HA 1 72 LYS HB3 . . 5.240 4.730 4.300 5.064 . 0 0 "[ . 1 . 2]" 1
939 1 69 LYS HA 1 72 LYS HD2 . . 4.790 4.108 3.641 4.599 . 0 0 "[ . 1 . 2]" 1
940 1 69 LYS HA 1 72 LYS QD . . 4.220 3.098 2.031 3.743 . 0 0 "[ . 1 . 2]" 1
941 1 69 LYS HA 1 72 LYS HD3 . . 4.790 3.354 2.040 4.520 . 0 0 "[ . 1 . 2]" 1
942 1 69 LYS HA 1 72 LYS QE . . 4.570 2.217 1.770 3.067 . 0 0 "[ . 1 . 2]" 1
943 1 69 LYS HA 1 72 LYS HG2 . . 5.500 3.367 2.452 4.573 . 0 0 "[ . 1 . 2]" 1
944 1 69 LYS HA 1 72 LYS QG . . 4.850 2.378 1.926 2.879 . 0 0 "[ . 1 . 2]" 1
945 1 69 LYS HA 1 72 LYS HG3 . . 5.500 2.542 1.990 3.715 . 0 0 "[ . 1 . 2]" 1
946 1 69 LYS HA 1 73 GLU H . . 4.780 4.144 3.879 4.604 . 0 0 "[ . 1 . 2]" 1
947 1 69 LYS QB 1 69 LYS QD . . 3.430 2.367 2.132 2.672 . 0 0 "[ . 1 . 2]" 1
948 1 69 LYS QB 1 70 ALA H . . 3.580 3.477 3.371 3.564 . 0 0 "[ . 1 . 2]" 1
949 1 69 LYS QB 1 72 LYS H . . 5.500 5.137 4.915 5.371 . 0 0 "[ . 1 . 2]" 1
950 1 69 LYS QE 1 69 LYS QG . . 3.430 2.409 1.962 2.878 . 0 0 "[ . 1 . 2]" 1
951 1 69 LYS QG 1 70 ALA H . . 4.400 2.192 1.977 2.323 . 0 0 "[ . 1 . 2]" 1
952 1 69 LYS QG 1 72 LYS QE . . 4.650 4.543 4.055 4.751 0.101 10 0 "[ . 1 . 2]" 1
953 1 69 LYS QG 1 73 GLU QB . . 5.180 4.978 4.249 5.358 0.178 14 0 "[ . 1 . 2]" 1
954 1 69 LYS QG 1 73 GLU QG . . 4.620 4.335 3.848 4.739 0.119 13 0 "[ . 1 . 2]" 1
955 1 70 ALA H 1 70 ALA MB . . 3.270 2.243 2.217 2.262 . 0 0 "[ . 1 . 2]" 1
956 1 70 ALA H 1 71 MET H . . 3.660 2.563 2.432 2.725 . 0 0 "[ . 1 . 2]" 1
957 1 70 ALA H 1 72 LYS H . . 4.950 4.156 4.000 4.293 . 0 0 "[ . 1 . 2]" 1
958 1 70 ALA H 1 73 GLU H . . 5.060 4.752 4.602 5.016 . 0 0 "[ . 1 . 2]" 1
959 1 70 ALA HA 1 72 LYS H . . 5.460 4.516 4.332 4.686 . 0 0 "[ . 1 . 2]" 1
960 1 70 ALA HA 1 73 GLU H . . 4.650 3.541 3.326 3.707 . 0 0 "[ . 1 . 2]" 1
961 1 70 ALA HA 1 73 GLU HB2 . . 4.490 2.743 2.335 4.320 . 0 0 "[ . 1 . 2]" 1
962 1 70 ALA HA 1 73 GLU HB3 . . 4.490 4.095 2.620 4.421 . 0 0 "[ . 1 . 2]" 1
963 1 70 ALA HA 1 73 GLU HG2 . . 5.080 4.267 1.992 5.016 . 0 0 "[ . 1 . 2]" 1
964 1 70 ALA HA 1 73 GLU QG . . 4.440 3.229 1.819 3.615 . 0 0 "[ . 1 . 2]" 1
965 1 70 ALA HA 1 73 GLU HG3 . . 5.080 3.407 2.103 3.711 . 0 0 "[ . 1 . 2]" 1
966 1 70 ALA HA 1 74 TYR H . . 5.390 4.249 3.994 4.444 . 0 0 "[ . 1 . 2]" 1
967 1 70 ALA MB 1 71 MET H . . 3.610 2.704 2.605 2.831 . 0 0 "[ . 1 . 2]" 1
968 1 70 ALA MB 1 71 MET HA . . 5.340 3.825 3.759 3.906 . 0 0 "[ . 1 . 2]" 1
969 1 70 ALA MB 1 72 LYS H . . 5.320 4.651 4.565 4.754 . 0 0 "[ . 1 . 2]" 1
970 1 70 ALA MB 1 73 GLU H . . 5.190 4.681 4.533 4.866 . 0 0 "[ . 1 . 2]" 1
971 1 70 ALA MB 1 73 GLU HB2 . . 5.400 4.130 3.761 5.520 0.120 1 0 "[ . 1 . 2]" 1
972 1 70 ALA MB 1 73 GLU QB . . 4.620 3.935 3.655 4.581 . 0 0 "[ . 1 . 2]" 1
973 1 70 ALA MB 1 73 GLU HB3 . . 5.400 5.214 3.978 5.429 0.029 18 0 "[ . 1 . 2]" 1
974 1 70 ALA MB 1 73 GLU QG . . 4.840 4.527 3.058 4.884 0.044 19 0 "[ . 1 . 2]" 1
975 1 70 ALA MB 1 74 TYR H . . 4.890 4.686 4.487 4.829 . 0 0 "[ . 1 . 2]" 1
976 1 71 MET H 1 71 MET QB . . 3.390 2.171 2.092 2.245 . 0 0 "[ . 1 . 2]" 1
977 1 71 MET H 1 71 MET ME . . 5.230 5.189 4.278 5.469 0.239 6 0 "[ . 1 . 2]" 1
978 1 71 MET H 1 71 MET QG . . 4.650 3.933 3.802 4.036 . 0 0 "[ . 1 . 2]" 1
979 1 71 MET H 1 72 LYS H . . 3.820 2.578 2.489 2.696 . 0 0 "[ . 1 . 2]" 1
980 1 71 MET H 1 73 GLU H . . 4.830 4.023 3.870 4.168 . 0 0 "[ . 1 . 2]" 1
981 1 71 MET H 1 74 TYR H . . 5.500 4.560 4.346 4.788 . 0 0 "[ . 1 . 2]" 1
982 1 71 MET H 1 74 TYR QB . . 5.340 4.589 4.312 4.916 . 0 0 "[ . 1 . 2]" 1
983 1 71 MET HA 1 71 MET ME . . 4.570 3.207 1.856 3.658 . 0 0 "[ . 1 . 2]" 1
984 1 71 MET HA 1 73 GLU H . . 5.410 4.397 4.196 4.751 . 0 0 "[ . 1 . 2]" 1
985 1 71 MET HA 1 74 TYR H . . 4.850 3.253 2.966 3.673 . 0 0 "[ . 1 . 2]" 1
986 1 71 MET HA 1 74 TYR HB2 . . 5.500 3.108 2.627 3.733 . 0 0 "[ . 1 . 2]" 1
987 1 71 MET HA 1 74 TYR QB . . 4.840 2.394 2.041 2.858 . 0 0 "[ . 1 . 2]" 1
988 1 71 MET HA 1 74 TYR HB3 . . 5.500 2.505 2.074 2.968 . 0 0 "[ . 1 . 2]" 1
989 1 71 MET HA 1 74 TYR QD . . 4.950 4.010 3.324 4.497 . 0 0 "[ . 1 . 2]" 1
990 1 71 MET HA 1 75 LEU H . . 5.230 4.240 3.789 4.580 . 0 0 "[ . 1 . 2]" 1
991 1 71 MET QB 1 71 MET ME . . 4.020 3.436 2.156 3.604 . 0 0 "[ . 1 . 2]" 1
992 1 71 MET QB 1 72 LYS H . . 3.550 2.530 2.339 2.742 . 0 0 "[ . 1 . 2]" 1
993 1 71 MET ME 1 74 TYR H . . 5.070 4.916 3.816 5.174 0.104 13 0 "[ . 1 . 2]" 1
994 1 71 MET ME 1 74 TYR HB2 . . 5.090 4.194 2.840 4.712 . 0 0 "[ . 1 . 2]" 1
995 1 71 MET ME 1 74 TYR QB . . 4.390 3.076 2.014 3.464 . 0 0 "[ . 1 . 2]" 1
996 1 71 MET ME 1 74 TYR HB3 . . 5.090 3.167 2.060 3.565 . 0 0 "[ . 1 . 2]" 1
997 1 71 MET ME 1 74 TYR QD . . 3.690 2.550 1.859 3.241 . 0 0 "[ . 1 . 2]" 1
998 1 71 MET ME 1 74 TYR QE . . 4.150 3.148 2.436 3.811 . 0 0 "[ . 1 . 2]" 1
999 1 71 MET ME 1 75 LEU H . . 4.740 4.060 3.448 4.825 0.085 17 0 "[ . 1 . 2]" 1
1000 1 71 MET QG 1 72 LYS H . . 5.170 3.749 3.504 4.335 . 0 0 "[ . 1 . 2]" 1
1001 1 72 LYS H 1 72 LYS QB . . 3.470 2.750 2.561 2.945 . 0 0 "[ . 1 . 2]" 1
1002 1 72 LYS H 1 72 LYS HD2 . . 5.500 4.515 3.634 4.856 . 0 0 "[ . 1 . 2]" 1
1003 1 72 LYS H 1 72 LYS HD3 . . 5.500 4.498 4.109 4.712 . 0 0 "[ . 1 . 2]" 1
1004 1 72 LYS H 1 72 LYS QE . . 4.810 3.856 3.379 4.137 . 0 0 "[ . 1 . 2]" 1
1005 1 72 LYS H 1 72 LYS HG2 . . 4.350 3.050 2.092 3.560 . 0 0 "[ . 1 . 2]" 1
1006 1 72 LYS H 1 72 LYS QG . . 3.550 2.032 1.907 2.130 . 0 0 "[ . 1 . 2]" 1
1007 1 72 LYS H 1 72 LYS HG3 . . 4.350 2.166 1.920 3.183 . 0 0 "[ . 1 . 2]" 1
1008 1 72 LYS H 1 73 GLU H . . 3.710 2.641 2.531 2.750 . 0 0 "[ . 1 . 2]" 1
1009 1 72 LYS H 1 73 GLU HA . . 5.500 5.239 5.129 5.319 . 0 0 "[ . 1 . 2]" 1
1010 1 72 LYS H 1 74 TYR H . . 5.160 3.936 3.781 4.127 . 0 0 "[ . 1 . 2]" 1
1011 1 72 LYS H 1 75 LEU H . . 5.500 4.824 4.700 5.017 . 0 0 "[ . 1 . 2]" 1
1012 1 72 LYS H 1 82 TYR QE . . 5.500 5.469 5.282 5.529 0.029 16 0 "[ . 1 . 2]" 1
1013 1 72 LYS HA 1 72 LYS HD2 . . 5.500 4.428 3.900 4.832 . 0 0 "[ . 1 . 2]" 1
1014 1 72 LYS HA 1 72 LYS HD3 . . 5.500 4.989 4.394 5.522 0.022 10 0 "[ . 1 . 2]" 1
1015 1 72 LYS HA 1 72 LYS QE . . 5.050 4.540 3.684 5.238 0.188 1 0 "[ . 1 . 2]" 1
1016 1 72 LYS HA 1 75 LEU H . . 5.060 3.233 2.949 3.756 . 0 0 "[ . 1 . 2]" 1
1017 1 72 LYS HA 1 75 LEU QB . . 4.040 2.929 2.665 3.371 . 0 0 "[ . 1 . 2]" 1
1018 1 72 LYS HA 1 75 LEU HG . . 5.500 3.342 2.652 5.532 0.032 20 0 "[ . 1 . 2]" 1
1019 1 72 LYS HA 1 76 ASP H . . 4.950 4.084 3.869 4.561 . 0 0 "[ . 1 . 2]" 1
1020 1 72 LYS HA 1 82 TYR QB . . 5.340 4.653 4.377 5.314 . 0 0 "[ . 1 . 2]" 1
1021 1 72 LYS HA 1 82 TYR QD . . 5.410 4.132 3.809 4.510 . 0 0 "[ . 1 . 2]" 1
1022 1 72 LYS HA 1 82 TYR QE . . 5.400 3.741 3.183 4.006 . 0 0 "[ . 1 . 2]" 1
1023 1 72 LYS QB 1 72 LYS QD . . 2.590 2.221 2.044 2.348 . 0 0 "[ . 1 . 2]" 1
1024 1 72 LYS QB 1 73 GLU H . . 3.650 3.160 1.939 3.679 0.029 18 0 "[ . 1 . 2]" 1
1025 1 72 LYS QB 1 76 ASP H . . 5.340 4.739 4.516 5.021 . 0 0 "[ . 1 . 2]" 1
1026 1 72 LYS QB 1 76 ASP QB . . 5.180 4.305 3.868 4.710 . 0 0 "[ . 1 . 2]" 1
1027 1 72 LYS QB 1 82 TYR QD . . 5.340 3.534 3.131 4.220 . 0 0 "[ . 1 . 2]" 1
1028 1 72 LYS HB2 1 72 LYS HD2 . . 4.020 2.689 2.304 3.199 . 0 0 "[ . 1 . 2]" 1
1029 1 72 LYS HB2 1 72 LYS HD3 . . 4.020 3.201 2.206 3.735 . 0 0 "[ . 1 . 2]" 1
1030 1 72 LYS HB2 1 72 LYS QE . . 3.780 2.724 1.922 3.739 . 0 0 "[ . 1 . 2]" 1
1031 1 72 LYS HB3 1 72 LYS HD2 . . 4.020 3.075 2.415 3.731 . 0 0 "[ . 1 . 2]" 1
1032 1 72 LYS HB3 1 72 LYS HD3 . . 4.020 3.606 2.480 4.090 0.070 5 0 "[ . 1 . 2]" 1
1033 1 72 LYS HB3 1 72 LYS QE . . 3.780 3.487 2.609 3.989 0.209 18 0 "[ . 1 . 2]" 1
1034 1 72 LYS QD 1 72 LYS QG . . 2.360 2.032 1.990 2.089 . 0 0 "[ . 1 . 2]" 1
1035 1 72 LYS HD2 1 82 TYR QE . . 5.370 3.270 2.544 4.258 . 0 0 "[ . 1 . 2]" 1
1036 1 72 LYS HD3 1 82 TYR QE . . 5.370 4.075 2.704 5.252 . 0 0 "[ . 1 . 2]" 1
1037 1 72 LYS QE 1 72 LYS QG . . 3.310 2.228 1.947 2.498 . 0 0 "[ . 1 . 2]" 1
1038 1 72 LYS QE 1 73 GLU H . . 4.560 3.338 2.335 4.380 . 0 0 "[ . 1 . 2]" 1
1039 1 72 LYS QE 1 82 TYR QE . . 4.490 4.243 3.654 4.551 0.061 6 0 "[ . 1 . 2]" 1
1040 1 72 LYS QG 1 73 GLU H . . 4.010 2.950 2.271 3.612 . 0 0 "[ . 1 . 2]" 1
1041 1 72 LYS QG 1 74 TYR H . . 5.160 4.964 4.433 5.300 0.140 4 0 "[ . 1 . 2]" 1
1042 1 72 LYS QG 1 82 TYR QD . . 5.340 4.633 3.647 5.154 . 0 0 "[ . 1 . 2]" 1
1043 1 72 LYS QG 1 82 TYR QE . . 4.270 3.593 2.905 4.131 . 0 0 "[ . 1 . 2]" 1
1044 1 73 GLU H 1 73 GLU HB2 . . 3.530 2.455 2.029 3.600 0.070 1 0 "[ . 1 . 2]" 1
1045 1 73 GLU H 1 73 GLU QB . . 3.070 2.355 1.904 2.460 . 0 0 "[ . 1 . 2]" 1
1046 1 73 GLU H 1 73 GLU HB3 . . 3.530 3.452 2.305 3.598 0.068 7 0 "[ . 1 . 2]" 1
1047 1 73 GLU H 1 73 GLU HG2 . . 4.120 3.169 2.288 4.040 . 0 0 "[ . 1 . 2]" 1
1048 1 73 GLU H 1 73 GLU QG . . 3.330 2.363 2.136 3.592 0.262 13 0 "[ . 1 . 2]" 1
1049 1 73 GLU H 1 73 GLU HG3 . . 4.120 2.815 2.157 4.024 . 0 0 "[ . 1 . 2]" 1
1050 1 73 GLU H 1 74 TYR H . . 3.640 2.632 2.515 2.724 . 0 0 "[ . 1 . 2]" 1
1051 1 73 GLU H 1 75 LEU H . . 4.900 4.336 4.193 4.540 . 0 0 "[ . 1 . 2]" 1
1052 1 73 GLU H 1 76 ASP H . . 5.500 4.725 4.580 4.861 . 0 0 "[ . 1 . 2]" 1
1053 1 73 GLU H 1 76 ASP QB . . 5.340 4.537 4.150 4.857 . 0 0 "[ . 1 . 2]" 1
1054 1 73 GLU HA 1 73 GLU QG . . 3.590 2.601 2.338 3.516 . 0 0 "[ . 1 . 2]" 1
1055 1 73 GLU HA 1 76 ASP H . . 4.180 3.449 3.208 3.740 . 0 0 "[ . 1 . 2]" 1
1056 1 73 GLU HA 1 76 ASP QB . . 4.050 2.378 1.938 2.879 . 0 0 "[ . 1 . 2]" 1
1057 1 73 GLU QB 1 74 TYR H . . 3.890 2.755 2.395 3.620 . 0 0 "[ . 1 . 2]" 1
1058 1 73 GLU QB 1 74 TYR HA . . 5.340 4.077 3.925 4.859 . 0 0 "[ . 1 . 2]" 1
1059 1 73 GLU HB2 1 74 TYR H . . 4.530 2.916 2.624 4.142 . 0 0 "[ . 1 . 2]" 1
1060 1 73 GLU HB3 1 74 TYR H . . 4.530 3.667 2.426 3.994 . 0 0 "[ . 1 . 2]" 1
1061 1 73 GLU QG 1 74 TYR H . . 4.520 4.076 2.431 4.309 . 0 0 "[ . 1 . 2]" 1
1062 1 73 GLU HG2 1 74 TYR H . . 5.190 4.811 4.151 5.186 . 0 0 "[ . 1 . 2]" 1
1063 1 73 GLU HG3 1 74 TYR H . . 5.190 4.531 2.448 5.209 0.019 15 0 "[ . 1 . 2]" 1
1064 1 74 TYR H 1 74 TYR HB2 . . 3.820 2.631 2.441 2.799 . 0 0 "[ . 1 . 2]" 1
1065 1 74 TYR H 1 74 TYR HB3 . . 3.820 2.342 2.238 2.454 . 0 0 "[ . 1 . 2]" 1
1066 1 74 TYR H 1 74 TYR QD . . 4.190 4.118 4.051 4.199 0.009 6 0 "[ . 1 . 2]" 1
1067 1 74 TYR H 1 75 LEU H . . 3.940 2.683 2.583 2.789 . 0 0 "[ . 1 . 2]" 1
1068 1 74 TYR H 1 76 ASP H . . 5.130 3.876 3.717 4.080 . 0 0 "[ . 1 . 2]" 1
1069 1 74 TYR HA 1 74 TYR QD . . 3.960 2.947 2.532 3.254 . 0 0 "[ . 1 . 2]" 1
1070 1 74 TYR HA 1 74 TYR QE . . 5.110 4.735 4.550 4.886 . 0 0 "[ . 1 . 2]" 1
1071 1 74 TYR HA 1 77 ARG H . . 4.960 3.304 3.066 3.553 . 0 0 "[ . 1 . 2]" 1
1072 1 74 TYR HA 1 77 ARG QB . . 3.870 2.916 2.097 3.947 0.077 6 0 "[ . 1 . 2]" 1
1073 1 74 TYR HA 1 77 ARG HE . . 5.500 4.720 2.199 5.603 0.103 19 0 "[ . 1 . 2]" 1
1074 1 74 TYR HA 1 77 ARG HG2 . . 4.220 3.048 2.043 4.176 . 0 0 "[ . 1 . 2]" 1
1075 1 74 TYR HA 1 77 ARG QG . . 3.670 2.656 2.028 3.130 . 0 0 "[ . 1 . 2]" 1
1076 1 74 TYR HA 1 77 ARG HG3 . . 4.220 3.200 2.225 4.161 . 0 0 "[ . 1 . 2]" 1
1077 1 74 TYR HA 1 78 LYS H . . 5.500 4.445 4.248 4.761 . 0 0 "[ . 1 . 2]" 1
1078 1 74 TYR HA 1 78 LYS QD . . 5.500 5.592 5.471 5.648 0.148 1 0 "[ . 1 . 2]" 1
1079 1 74 TYR HA 1 78 LYS QE . . 5.340 5.203 4.938 5.380 0.040 13 0 "[ . 1 . 2]" 1
1080 1 74 TYR HA 1 78 LYS QG . . 5.340 4.258 3.995 4.600 . 0 0 "[ . 1 . 2]" 1
1081 1 74 TYR QB 1 75 LEU H . . 4.090 2.438 2.241 2.681 . 0 0 "[ . 1 . 2]" 1
1082 1 74 TYR QD 1 75 LEU H . . 4.020 3.017 2.811 3.312 . 0 0 "[ . 1 . 2]" 1
1083 1 74 TYR QD 1 75 LEU HA . . 5.260 3.124 2.453 3.929 . 0 0 "[ . 1 . 2]" 1
1084 1 74 TYR QD 1 75 LEU HG . . 3.920 2.933 2.621 3.157 . 0 0 "[ . 1 . 2]" 1
1085 1 74 TYR QD 1 76 ASP H . . 5.500 5.036 4.695 5.325 . 0 0 "[ . 1 . 2]" 1
1086 1 74 TYR QD 1 77 ARG H . . 5.430 5.051 4.883 5.258 . 0 0 "[ . 1 . 2]" 1
1087 1 74 TYR QD 1 78 LYS QD . . 5.500 4.513 3.248 5.099 . 0 0 "[ . 1 . 2]" 1
1088 1 74 TYR QD 1 78 LYS HE2 . . 5.500 4.482 3.680 5.492 . 0 0 "[ . 1 . 2]" 1
1089 1 74 TYR QD 1 78 LYS HE3 . . 5.500 4.441 3.753 4.986 . 0 0 "[ . 1 . 2]" 1
1090 1 74 TYR QD 1 78 LYS QG . . 4.250 3.591 3.050 4.113 . 0 0 "[ . 1 . 2]" 1
1091 1 74 TYR QE 1 75 LEU H . . 5.070 5.093 5.002 5.173 0.103 19 0 "[ . 1 . 2]" 1
1092 1 74 TYR QE 1 75 LEU HG . . 5.040 4.679 3.647 4.997 . 0 0 "[ . 1 . 2]" 1
1093 1 74 TYR QE 1 78 LYS H . . 5.500 5.607 5.549 5.661 0.161 13 0 "[ . 1 . 2]" 1
1094 1 74 TYR QE 1 78 LYS QD . . 4.450 3.655 2.108 4.350 . 0 0 "[ . 1 . 2]" 1
1095 1 74 TYR QE 1 78 LYS HE2 . . 4.880 3.153 2.112 4.362 . 0 0 "[ . 1 . 2]" 1
1096 1 74 TYR QE 1 78 LYS QE . . 4.250 2.511 1.989 3.019 . 0 0 "[ . 1 . 2]" 1
1097 1 74 TYR QE 1 78 LYS HE3 . . 4.880 2.939 1.999 3.449 . 0 0 "[ . 1 . 2]" 1
1098 1 74 TYR QE 1 78 LYS HG2 . . 4.710 4.139 3.636 4.871 0.161 10 0 "[ . 1 . 2]" 1
1099 1 74 TYR QE 1 78 LYS HG3 . . 4.710 3.426 2.848 3.906 . 0 0 "[ . 1 . 2]" 1
1100 1 75 LEU H 1 75 LEU QB . . 3.650 2.464 2.413 2.515 . 0 0 "[ . 1 . 2]" 1
1101 1 75 LEU H 1 75 LEU HG . . 3.730 2.269 2.026 3.690 . 0 0 "[ . 1 . 2]" 1
1102 1 75 LEU H 1 76 ASP H . . 3.940 2.539 2.438 2.626 . 0 0 "[ . 1 . 2]" 1
1103 1 75 LEU H 1 77 ARG H . . 5.010 3.980 3.822 4.075 . 0 0 "[ . 1 . 2]" 1
1104 1 75 LEU H 1 78 LYS H . . 5.420 4.769 4.594 4.987 . 0 0 "[ . 1 . 2]" 1
1105 1 75 LEU H 1 82 TYR QE . . 4.880 4.915 4.864 4.952 0.072 13 0 "[ . 1 . 2]" 1
1106 1 75 LEU HA 1 77 ARG H . . 5.020 4.085 3.853 4.203 . 0 0 "[ . 1 . 2]" 1
1107 1 75 LEU HA 1 78 LYS H . . 4.460 3.296 2.979 3.525 . 0 0 "[ . 1 . 2]" 1
1108 1 75 LEU HA 1 78 LYS HB2 . . 5.260 2.662 2.397 2.981 . 0 0 "[ . 1 . 2]" 1
1109 1 75 LEU HA 1 78 LYS QB . . 4.520 2.637 2.381 2.949 . 0 0 "[ . 1 . 2]" 1
1110 1 75 LEU HA 1 78 LYS HB3 . . 5.260 4.271 4.104 4.676 . 0 0 "[ . 1 . 2]" 1
1111 1 75 LEU HA 1 78 LYS QD . . 5.220 4.436 3.331 5.050 . 0 0 "[ . 1 . 2]" 1
1112 1 75 LEU HA 1 78 LYS HG2 . . 5.390 3.928 2.784 5.393 0.003 13 0 "[ . 1 . 2]" 1
1113 1 75 LEU HA 1 78 LYS HG3 . . 5.390 3.372 2.865 3.960 . 0 0 "[ . 1 . 2]" 1
1114 1 75 LEU HA 1 80 TRP H . . 5.440 3.950 3.688 4.291 . 0 0 "[ . 1 . 2]" 1
1115 1 75 LEU HA 1 80 TRP QB . . 5.320 3.528 3.257 3.954 . 0 0 "[ . 1 . 2]" 1
1116 1 75 LEU HA 1 82 TYR QD . . 5.500 4.760 4.647 4.875 . 0 0 "[ . 1 . 2]" 1
1117 1 75 LEU QB 1 76 ASP H . . 3.760 2.632 2.487 2.844 . 0 0 "[ . 1 . 2]" 1
1118 1 75 LEU QB 1 77 ARG H . . 5.340 4.615 4.540 4.741 . 0 0 "[ . 1 . 2]" 1
1119 1 75 LEU QB 1 80 TRP H . . 5.140 3.853 3.442 4.110 . 0 0 "[ . 1 . 2]" 1
1120 1 75 LEU QB 1 80 TRP QB . . 4.360 2.732 2.205 3.211 . 0 0 "[ . 1 . 2]" 1
1121 1 75 LEU QB 1 82 TYR QD . . 4.250 2.442 2.307 2.565 . 0 0 "[ . 1 . 2]" 1
1122 1 75 LEU QB 1 82 TYR QE . . 3.960 3.039 2.784 3.290 . 0 0 "[ . 1 . 2]" 1
1123 1 75 LEU HB2 1 76 ASP H . . 4.490 2.690 2.528 2.958 . 0 0 "[ . 1 . 2]" 1
1124 1 75 LEU HB2 1 82 TYR QD . . 4.860 2.946 2.689 3.485 . 0 0 "[ . 1 . 2]" 1
1125 1 75 LEU HB2 1 82 TYR QE . . 4.780 3.198 2.915 3.558 . 0 0 "[ . 1 . 2]" 1
1126 1 75 LEU HB3 1 76 ASP H . . 4.490 3.757 3.689 3.825 . 0 0 "[ . 1 . 2]" 1
1127 1 75 LEU HB3 1 82 TYR QD . . 4.860 2.619 2.450 2.740 . 0 0 "[ . 1 . 2]" 1
1128 1 75 LEU HB3 1 82 TYR QE . . 4.780 3.827 3.193 4.112 . 0 0 "[ . 1 . 2]" 1
1129 1 75 LEU HG 1 82 TYR QD . . 5.340 4.825 4.653 4.998 . 0 0 "[ . 1 . 2]" 1
1130 1 76 ASP H 1 76 ASP HB2 . . 3.920 2.505 2.402 2.600 . 0 0 "[ . 1 . 2]" 1
1131 1 76 ASP H 1 76 ASP QB . . 3.430 2.202 2.146 2.266 . 0 0 "[ . 1 . 2]" 1
1132 1 76 ASP H 1 76 ASP HB3 . . 3.920 2.442 2.343 2.511 . 0 0 "[ . 1 . 2]" 1
1133 1 76 ASP H 1 77 ARG H . . 3.760 2.585 2.481 2.740 . 0 0 "[ . 1 . 2]" 1
1134 1 76 ASP H 1 78 LYS H . . 5.110 3.922 3.845 3.985 . 0 0 "[ . 1 . 2]" 1
1135 1 76 ASP H 1 82 TYR QE . . 4.740 3.285 3.146 3.479 . 0 0 "[ . 1 . 2]" 1
1136 1 76 ASP HA 1 78 LYS H . . 5.500 4.085 3.954 4.217 . 0 0 "[ . 1 . 2]" 1
1137 1 76 ASP HA 1 79 GLY H . . 5.160 3.237 2.964 3.459 . 0 0 "[ . 1 . 2]" 1
1138 1 76 ASP HA 1 80 TRP H . . 5.500 3.834 3.449 4.214 . 0 0 "[ . 1 . 2]" 1
1139 1 76 ASP HA 1 82 TYR QD . . 5.450 4.220 3.961 4.682 . 0 0 "[ . 1 . 2]" 1
1140 1 76 ASP QB 1 77 ARG H . . 3.540 2.732 2.637 2.874 . 0 0 "[ . 1 . 2]" 1
1141 1 76 ASP QB 1 79 GLY H . . 5.160 4.720 4.582 4.841 . 0 0 "[ . 1 . 2]" 1
1142 1 76 ASP HB2 1 77 ARG H . . 4.050 3.971 3.895 4.069 0.019 10 0 "[ . 1 . 2]" 1
1143 1 76 ASP HB2 1 78 LYS H . . 5.500 5.573 5.548 5.604 0.104 5 0 "[ . 1 . 2]" 1
1144 1 76 ASP HB3 1 77 ARG H . . 4.050 2.784 2.682 2.943 . 0 0 "[ . 1 . 2]" 1
1145 1 76 ASP HB3 1 78 LYS H . . 5.500 4.872 4.753 4.976 . 0 0 "[ . 1 . 2]" 1
1146 1 77 ARG H 1 77 ARG QB . . 3.070 2.474 1.991 2.776 . 0 0 "[ . 1 . 2]" 1
1147 1 77 ARG H 1 77 ARG HD2 . . 5.190 4.277 3.398 4.840 . 0 0 "[ . 1 . 2]" 1
1148 1 77 ARG H 1 77 ARG QD . . 4.390 3.561 3.065 4.232 . 0 0 "[ . 1 . 2]" 1
1149 1 77 ARG H 1 77 ARG HD3 . . 5.190 4.065 3.138 4.804 . 0 0 "[ . 1 . 2]" 1
1150 1 77 ARG H 1 77 ARG HG2 . . 4.130 2.627 2.219 4.223 0.093 19 0 "[ . 1 . 2]" 1
1151 1 77 ARG H 1 77 ARG HG3 . . 4.130 3.528 2.125 4.151 0.021 19 0 "[ . 1 . 2]" 1
1152 1 77 ARG H 1 78 LYS H . . 3.340 2.382 2.324 2.471 . 0 0 "[ . 1 . 2]" 1
1153 1 77 ARG H 1 78 LYS QD . . 5.500 5.455 5.265 5.663 0.163 6 0 "[ . 1 . 2]" 1
1154 1 77 ARG H 1 78 LYS HG2 . . 5.480 4.562 4.066 5.512 0.032 17 0 "[ . 1 . 2]" 1
1155 1 77 ARG H 1 78 LYS QG . . 4.830 4.010 3.909 4.088 . 0 0 "[ . 1 . 2]" 1
1156 1 77 ARG H 1 78 LYS HG3 . . 5.480 5.044 4.028 5.573 0.093 2 0 "[ . 1 . 2]" 1
1157 1 77 ARG HA 1 77 ARG HD2 . . 4.580 3.050 2.041 4.659 0.079 6 0 "[ . 1 . 2]" 1
1158 1 77 ARG HA 1 77 ARG HD3 . . 4.580 3.039 1.972 4.600 0.020 6 0 "[ . 1 . 2]" 1
1159 1 77 ARG HA 1 77 ARG QG . . 3.740 2.949 2.494 3.373 . 0 0 "[ . 1 . 2]" 1
1160 1 77 ARG QB 1 77 ARG HE . . 4.990 3.540 2.056 4.200 . 0 0 "[ . 1 . 2]" 1
1161 1 77 ARG QB 1 78 LYS H . . 3.810 2.748 2.533 3.655 . 0 0 "[ . 1 . 2]" 1
1162 1 77 ARG QB 1 78 LYS QE . . 5.100 4.328 3.949 5.150 0.050 6 0 "[ . 1 . 2]" 1
1163 1 77 ARG HG2 1 78 LYS H . . 5.230 4.334 3.289 4.984 . 0 0 "[ . 1 . 2]" 1
1164 1 77 ARG HG3 1 78 LYS H . . 5.230 4.725 2.933 5.182 . 0 0 "[ . 1 . 2]" 1
1165 1 78 LYS H 1 78 LYS HB2 . . 4.030 2.329 2.251 2.406 . 0 0 "[ . 1 . 2]" 1
1166 1 78 LYS H 1 78 LYS QB . . 3.500 2.299 2.226 2.372 . 0 0 "[ . 1 . 2]" 1
1167 1 78 LYS H 1 78 LYS HB3 . . 4.030 3.544 3.494 3.610 . 0 0 "[ . 1 . 2]" 1
1168 1 78 LYS H 1 78 LYS QD . . 4.170 3.713 3.413 4.083 . 0 0 "[ . 1 . 2]" 1
1169 1 78 LYS H 1 78 LYS HE2 . . 5.500 5.111 4.835 5.442 . 0 0 "[ . 1 . 2]" 1
1170 1 78 LYS H 1 78 LYS HE3 . . 5.500 5.367 5.008 5.528 0.028 4 0 "[ . 1 . 2]" 1
1171 1 78 LYS H 1 78 LYS HG2 . . 4.040 2.726 2.248 3.441 . 0 0 "[ . 1 . 2]" 1
1172 1 78 LYS H 1 78 LYS QG . . 3.530 2.365 2.226 2.464 . 0 0 "[ . 1 . 2]" 1
1173 1 78 LYS H 1 78 LYS HG3 . . 4.040 3.228 2.411 3.669 . 0 0 "[ . 1 . 2]" 1
1174 1 78 LYS H 1 79 GLY H . . 3.730 2.389 2.277 2.479 . 0 0 "[ . 1 . 2]" 1
1175 1 78 LYS H 1 79 GLY QA . . 5.340 4.298 4.186 4.367 . 0 0 "[ . 1 . 2]" 1
1176 1 78 LYS H 1 80 TRP H . . 5.160 3.759 3.544 3.907 . 0 0 "[ . 1 . 2]" 1
1177 1 78 LYS HA 1 78 LYS QD . . 3.650 2.695 2.039 3.719 0.069 13 0 "[ . 1 . 2]" 1
1178 1 78 LYS HA 1 78 LYS HE2 . . 5.340 4.470 4.258 4.621 . 0 0 "[ . 1 . 2]" 1
1179 1 78 LYS HA 1 78 LYS HE3 . . 5.340 4.872 4.696 5.137 . 0 0 "[ . 1 . 2]" 1
1180 1 78 LYS HA 1 80 TRP H . . 4.800 4.558 4.377 4.773 . 0 0 "[ . 1 . 2]" 1
1181 1 78 LYS HA 1 80 TRP HZ2 . . 5.500 5.412 5.171 5.656 0.156 17 0 "[ . 1 . 2]" 1
1182 1 78 LYS QB 1 78 LYS QE . . 3.940 3.478 3.446 3.519 . 0 0 "[ . 1 . 2]" 1
1183 1 78 LYS QB 1 79 GLY H . . 4.270 3.115 3.008 3.292 . 0 0 "[ . 1 . 2]" 1
1184 1 78 LYS QB 1 80 TRP H . . 4.050 2.761 2.515 2.880 . 0 0 "[ . 1 . 2]" 1
1185 1 78 LYS QB 1 80 TRP HD1 . . 4.550 3.421 3.290 3.563 . 0 0 "[ . 1 . 2]" 1
1186 1 78 LYS QB 1 80 TRP HE3 . . 5.340 3.756 3.440 4.105 . 0 0 "[ . 1 . 2]" 1
1187 1 78 LYS HB2 1 78 LYS HE2 . . 5.140 4.734 4.608 4.849 . 0 0 "[ . 1 . 2]" 1
1188 1 78 LYS HB2 1 78 LYS HE3 . . 5.140 4.515 4.394 4.646 . 0 0 "[ . 1 . 2]" 1
1189 1 78 LYS HB2 1 79 GLY H . . 4.890 3.240 3.114 3.449 . 0 0 "[ . 1 . 2]" 1
1190 1 78 LYS HB2 1 80 TRP H . . 4.620 2.854 2.581 3.006 . 0 0 "[ . 1 . 2]" 1
1191 1 78 LYS HB2 1 80 TRP HD1 . . 5.230 4.308 4.046 4.490 . 0 0 "[ . 1 . 2]" 1
1192 1 78 LYS HB2 1 80 TRP HE1 . . 5.500 4.348 3.990 4.694 . 0 0 "[ . 1 . 2]" 1
1193 1 78 LYS HB2 1 80 TRP HZ2 . . 5.330 4.734 4.456 5.037 . 0 0 "[ . 1 . 2]" 1
1194 1 78 LYS HB3 1 78 LYS HE2 . . 5.140 4.389 3.997 4.594 . 0 0 "[ . 1 . 2]" 1
1195 1 78 LYS HB3 1 78 LYS HE3 . . 5.140 4.162 3.898 4.540 . 0 0 "[ . 1 . 2]" 1
1196 1 78 LYS HB3 1 79 GLY H . . 4.890 4.046 3.961 4.175 . 0 0 "[ . 1 . 2]" 1
1197 1 78 LYS HB3 1 80 TRP H . . 4.620 3.679 3.473 3.827 . 0 0 "[ . 1 . 2]" 1
1198 1 78 LYS HB3 1 80 TRP HD1 . . 5.230 3.591 3.475 3.750 . 0 0 "[ . 1 . 2]" 1
1199 1 78 LYS HB3 1 80 TRP HE1 . . 5.500 2.852 2.605 3.131 . 0 0 "[ . 1 . 2]" 1
1200 1 78 LYS HB3 1 80 TRP HZ2 . . 5.330 3.496 3.381 3.666 . 0 0 "[ . 1 . 2]" 1
1201 1 78 LYS QD 1 80 TRP HD1 . . 5.500 5.154 4.827 5.439 . 0 0 "[ . 1 . 2]" 1
1202 1 78 LYS QD 1 80 TRP HE1 . . 5.500 3.607 3.275 3.892 . 0 0 "[ . 1 . 2]" 1
1203 1 78 LYS QD 1 80 TRP HH2 . . 5.480 3.663 2.939 4.312 . 0 0 "[ . 1 . 2]" 1
1204 1 78 LYS QD 1 80 TRP HZ2 . . 4.540 2.724 2.195 3.246 . 0 0 "[ . 1 . 2]" 1
1205 1 78 LYS QD 1 80 TRP HZ3 . . 5.500 4.630 3.662 5.318 . 0 0 "[ . 1 . 2]" 1
1206 1 78 LYS QE 1 80 TRP HE1 . . 5.340 5.216 4.995 5.351 0.011 10 0 "[ . 1 . 2]" 1
1207 1 78 LYS QE 1 80 TRP HH2 . . 4.920 3.307 2.439 4.363 . 0 0 "[ . 1 . 2]" 1
1208 1 78 LYS HE2 1 80 TRP HZ2 . . 4.810 4.713 4.261 4.913 0.103 12 0 "[ . 1 . 2]" 1
1209 1 78 LYS HE3 1 80 TRP HZ2 . . 4.810 3.837 3.182 4.894 0.084 8 0 "[ . 1 . 2]" 1
1210 1 78 LYS QG 1 80 TRP H . . 4.640 4.578 4.331 4.704 0.064 15 0 "[ . 1 . 2]" 1
1211 1 78 LYS QG 1 80 TRP HD1 . . 5.340 5.365 5.198 5.415 0.075 12 0 "[ . 1 . 2]" 1
1212 1 78 LYS QG 1 80 TRP HE1 . . 5.340 4.518 4.385 4.723 . 0 0 "[ . 1 . 2]" 1
1213 1 78 LYS HG2 1 79 GLY H . . 5.230 4.592 4.442 4.841 . 0 0 "[ . 1 . 2]" 1
1214 1 78 LYS HG2 1 80 TRP H . . 5.310 5.238 4.897 5.491 0.181 10 0 "[ . 1 . 2]" 1
1215 1 78 LYS HG2 1 80 TRP HZ2 . . 5.500 4.953 4.546 5.279 . 0 0 "[ . 1 . 2]" 1
1216 1 78 LYS HG3 1 79 GLY H . . 5.230 5.009 4.477 5.290 0.060 4 0 "[ . 1 . 2]" 1
1217 1 78 LYS HG3 1 80 TRP H . . 5.310 5.059 4.828 5.198 . 0 0 "[ . 1 . 2]" 1
1218 1 78 LYS HG3 1 80 TRP HZ2 . . 5.500 4.188 3.491 5.219 . 0 0 "[ . 1 . 2]" 1
1219 1 79 GLY H 1 80 TRP H . . 3.600 2.632 2.561 2.688 . 0 0 "[ . 1 . 2]" 1
1220 1 79 GLY H 1 80 TRP HA . . 5.500 5.234 5.187 5.275 . 0 0 "[ . 1 . 2]" 1
1221 1 79 GLY H 1 80 TRP QB . . 5.340 4.843 4.753 4.921 . 0 0 "[ . 1 . 2]" 1
1222 1 80 TRP H 1 80 TRP HB2 . . 3.950 2.592 2.527 2.632 . 0 0 "[ . 1 . 2]" 1
1223 1 80 TRP H 1 80 TRP QB . . 3.450 2.544 2.484 2.582 . 0 0 "[ . 1 . 2]" 1
1224 1 80 TRP H 1 80 TRP HB3 . . 3.950 3.689 3.657 3.735 . 0 0 "[ . 1 . 2]" 1
1225 1 80 TRP H 1 80 TRP HD1 . . 4.360 3.441 3.073 3.727 . 0 0 "[ . 1 . 2]" 1
1226 1 80 TRP H 1 80 TRP HE1 . . 5.500 5.086 4.745 5.354 . 0 0 "[ . 1 . 2]" 1
1227 1 80 TRP H 1 81 TRP H . . 4.500 4.529 4.503 4.559 0.059 13 0 "[ . 1 . 2]" 1
1228 1 80 TRP HA 1 80 TRP HD1 . . 3.590 2.436 2.363 2.490 . 0 0 "[ . 1 . 2]" 1
1229 1 80 TRP HA 1 80 TRP HE1 . . 5.060 4.929 4.878 4.990 . 0 0 "[ . 1 . 2]" 1
1230 1 80 TRP HA 1 81 TRP QB . . 5.340 4.138 4.039 4.234 . 0 0 "[ . 1 . 2]" 1
1231 1 80 TRP QB 1 81 TRP H . . 4.130 2.572 2.487 2.727 . 0 0 "[ . 1 . 2]" 1
1232 1 80 TRP HD1 1 81 TRP H . . 4.690 4.461 4.309 4.546 . 0 0 "[ . 1 . 2]" 1
1233 1 81 TRP H 1 81 TRP HB2 . . 3.990 2.779 2.727 2.821 . 0 0 "[ . 1 . 2]" 1
1234 1 81 TRP H 1 81 TRP QB . . 3.460 2.292 2.249 2.364 . 0 0 "[ . 1 . 2]" 1
1235 1 81 TRP H 1 81 TRP HB3 . . 3.990 2.442 2.368 2.539 . 0 0 "[ . 1 . 2]" 1
1236 1 81 TRP H 1 81 TRP HD1 . . 5.360 5.181 5.142 5.246 . 0 0 "[ . 1 . 2]" 1
1237 1 81 TRP H 1 82 TYR H . . 5.080 4.571 4.513 4.623 . 0 0 "[ . 1 . 2]" 1
1238 1 81 TRP HA 1 81 TRP HD1 . . 4.180 3.154 3.048 3.231 . 0 0 "[ . 1 . 2]" 1
1239 1 81 TRP HA 1 81 TRP HE1 . . 5.500 5.108 5.022 5.214 . 0 0 "[ . 1 . 2]" 1
1240 1 81 TRP HA 1 82 TYR H . . 3.470 2.231 2.175 2.297 . 0 0 "[ . 1 . 2]" 1
1241 1 81 TRP QB 1 82 TYR H . . 4.200 3.625 3.565 3.665 . 0 0 "[ . 1 . 2]" 1
1242 1 81 TRP HB2 1 82 TYR H . . 4.860 4.055 3.997 4.102 . 0 0 "[ . 1 . 2]" 1
1243 1 81 TRP HB3 1 82 TYR H . . 4.860 4.083 4.005 4.141 . 0 0 "[ . 1 . 2]" 1
1244 1 81 TRP HD1 1 82 TYR H . . 4.890 3.612 3.518 3.720 . 0 0 "[ . 1 . 2]" 1
1245 1 81 TRP HE1 1 82 TYR H . . 5.500 4.415 4.301 4.533 . 0 0 "[ . 1 . 2]" 1
1246 1 81 TRP HE1 1 83 GLU HG2 . . 5.500 4.023 3.851 4.263 . 0 0 "[ . 1 . 2]" 1
1247 1 81 TRP HE1 1 83 GLU QG . . 4.800 3.850 3.689 4.046 . 0 0 "[ . 1 . 2]" 1
1248 1 81 TRP HE1 1 83 GLU HG3 . . 5.500 4.922 4.524 5.182 . 0 0 "[ . 1 . 2]" 1
1249 1 81 TRP HE3 1 82 TYR H . . 4.930 4.462 4.297 4.573 . 0 0 "[ . 1 . 2]" 1
1250 1 81 TRP HE3 1 82 TYR HA . . 4.440 3.542 3.321 3.653 . 0 0 "[ . 1 . 2]" 1
1251 1 81 TRP HH2 1 82 TYR HA . . 5.460 5.069 4.841 5.152 . 0 0 "[ . 1 . 2]" 1
1252 1 81 TRP HH2 1 83 GLU H . . 5.500 5.327 5.189 5.445 . 0 0 "[ . 1 . 2]" 1
1253 1 81 TRP HH2 1 83 GLU QB . . 4.220 4.280 4.238 4.305 0.085 10 0 "[ . 1 . 2]" 1
1254 1 81 TRP HH2 1 83 GLU HG2 . . 4.960 3.506 3.153 3.901 . 0 0 "[ . 1 . 2]" 1
1255 1 81 TRP HH2 1 83 GLU QG . . 4.140 2.605 2.438 2.786 . 0 0 "[ . 1 . 2]" 1
1256 1 81 TRP HH2 1 83 GLU HG3 . . 4.960 2.689 2.508 2.855 . 0 0 "[ . 1 . 2]" 1
1257 1 81 TRP HZ2 1 82 TYR HA . . 5.440 5.445 5.333 5.482 0.042 6 0 "[ . 1 . 2]" 1
1258 1 81 TRP HZ2 1 83 GLU QB . . 4.310 4.407 4.376 4.450 0.140 12 0 "[ . 1 . 2]" 1
1259 1 81 TRP HZ2 1 83 GLU HG2 . . 5.060 2.552 2.363 2.788 . 0 0 "[ . 1 . 2]" 1
1260 1 81 TRP HZ2 1 83 GLU QG . . 4.210 2.426 2.303 2.550 . 0 0 "[ . 1 . 2]" 1
1261 1 81 TRP HZ2 1 83 GLU HG3 . . 5.060 3.080 2.871 3.315 . 0 0 "[ . 1 . 2]" 1
1262 1 81 TRP HZ3 1 83 GLU H . . 5.500 5.285 5.134 5.428 . 0 0 "[ . 1 . 2]" 1
1263 1 81 TRP HZ3 1 83 GLU QB . . 5.390 5.308 5.237 5.353 . 0 0 "[ . 1 . 2]" 1
1264 1 81 TRP HZ3 1 83 GLU QG . . 4.960 3.688 3.550 3.895 . 0 0 "[ . 1 . 2]" 1
1265 1 82 TYR H 1 82 TYR QD . . 4.660 3.101 2.904 3.240 . 0 0 "[ . 1 . 2]" 1
1266 1 82 TYR H 1 83 GLU H . . 5.030 4.286 4.249 4.313 . 0 0 "[ . 1 . 2]" 1
1267 1 82 TYR QB 1 83 GLU H . . 3.860 2.279 2.162 2.435 . 0 0 "[ . 1 . 2]" 1
1268 1 82 TYR HB2 1 83 GLU H . . 4.500 2.301 2.179 2.465 . 0 0 "[ . 1 . 2]" 1
1269 1 82 TYR HB3 1 83 GLU H . . 4.500 3.684 3.596 3.796 . 0 0 "[ . 1 . 2]" 1
1270 1 82 TYR QD 1 83 GLU H . . 4.610 3.116 2.976 3.320 . 0 0 "[ . 1 . 2]" 1
1271 1 82 TYR QD 1 83 GLU HA . . 5.500 3.644 3.453 3.782 . 0 0 "[ . 1 . 2]" 1
1272 1 82 TYR QD 1 84 VAL H . . 4.830 3.957 3.673 4.357 . 0 0 "[ . 1 . 2]" 1
1273 1 82 TYR QE 1 84 VAL HB . . 5.110 4.661 4.314 5.121 0.011 8 0 "[ . 1 . 2]" 1
1274 1 83 GLU H 1 83 GLU QB . . 3.800 2.651 2.590 2.704 . 0 0 "[ . 1 . 2]" 1
1275 1 83 GLU H 1 83 GLU QG . . 3.940 2.854 2.728 3.000 . 0 0 "[ . 1 . 2]" 1
1276 1 83 GLU HA 1 83 GLU QG . . 3.720 2.486 2.415 2.574 . 0 0 "[ . 1 . 2]" 1
1277 1 83 GLU HA 1 84 VAL H . . 3.180 2.168 2.103 2.245 . 0 0 "[ . 1 . 2]" 1
1278 1 83 GLU HA 1 84 VAL HB . . 5.110 4.637 4.523 4.808 . 0 0 "[ . 1 . 2]" 1
1279 1 83 GLU QB 1 84 VAL H . . 3.740 2.899 2.476 3.070 . 0 0 "[ . 1 . 2]" 1
1280 1 83 GLU QB 1 85 LYS H . . 5.500 4.376 4.145 4.626 . 0 0 "[ . 1 . 2]" 1
1281 1 83 GLU QG 1 84 VAL H . . 4.880 4.119 3.842 4.294 . 0 0 "[ . 1 . 2]" 1
1282 1 84 VAL H 1 84 VAL HB . . 3.450 2.564 2.480 2.638 . 0 0 "[ . 1 . 2]" 1
1283 1 84 VAL H 1 85 LYS H . . 4.900 4.172 4.070 4.252 . 0 0 "[ . 1 . 2]" 1
1284 1 84 VAL H 1 85 LYS QD . . 5.080 4.836 3.648 5.269 0.189 6 0 "[ . 1 . 2]" 1
1285 1 84 VAL H 1 85 LYS QG . . 5.190 4.475 3.434 5.292 0.102 19 0 "[ . 1 . 2]" 1
1286 1 84 VAL HB 1 85 LYS H . . 4.630 4.200 4.140 4.268 . 0 0 "[ . 1 . 2]" 1
1287 1 85 LYS H 1 85 LYS QD . . 4.300 3.449 2.243 4.043 . 0 0 "[ . 1 . 2]" 1
1288 1 85 LYS H 1 85 LYS QE . . 5.500 4.552 4.086 5.107 . 0 0 "[ . 1 . 2]" 1
1289 1 85 LYS H 1 85 LYS HG2 . . 4.660 3.466 2.256 4.301 . 0 0 "[ . 1 . 2]" 1
1290 1 85 LYS H 1 85 LYS QG . . 4.070 2.794 2.237 3.563 . 0 0 "[ . 1 . 2]" 1
1291 1 85 LYS H 1 85 LYS HG3 . . 4.660 3.425 2.975 3.817 . 0 0 "[ . 1 . 2]" 1
1292 1 85 LYS HA 1 85 LYS QD . . 4.390 3.112 2.106 4.000 . 0 0 "[ . 1 . 2]" 1
1293 1 85 LYS HA 1 85 LYS QE . . 4.520 4.396 4.076 4.665 0.145 2 0 "[ . 1 . 2]" 1
1294 1 85 LYS HA 1 85 LYS HG2 . . 4.190 2.997 2.504 3.696 . 0 0 "[ . 1 . 2]" 1
1295 1 85 LYS HA 1 85 LYS QG . . 3.650 2.631 2.310 3.127 . 0 0 "[ . 1 . 2]" 1
1296 1 85 LYS HA 1 85 LYS HG3 . . 4.190 3.095 2.429 3.850 . 0 0 "[ . 1 . 2]" 1
1297 1 85 LYS QB 1 85 LYS QD . . 3.420 2.236 2.069 2.434 . 0 0 "[ . 1 . 2]" 1
1298 1 85 LYS QB 1 85 LYS QE . . 3.650 3.632 3.489 3.803 0.153 11 0 "[ . 1 . 2]" 1
1299 2 3 ILE H 2 3 ILE HG12 . . 5.500 3.139 1.967 4.859 . 0 0 "[ . 1 . 2]" 1
1300 2 5 LYS HA 2 5 LYS QE . . 5.500 4.498 3.816 5.476 . 0 0 "[ . 1 . 2]" 1
1301 2 5 LYS HA 2 6 VAL H . . 3.540 2.523 2.100 3.542 0.002 8 0 "[ . 1 . 2]" 1
1302 2 5 LYS QB 2 5 LYS QD . . 2.410 2.251 2.108 2.520 0.110 19 0 "[ . 1 . 2]" 1
1303 2 5 LYS QB 2 5 LYS QE . . 3.740 3.239 1.930 3.813 0.073 20 0 "[ . 1 . 2]" 1
1304 2 5 LYS QB 2 6 VAL H . . 5.060 3.276 1.895 4.009 . 0 0 "[ . 1 . 2]" 1
1305 2 5 LYS QD 2 5 LYS QG . . 2.400 2.068 2.002 2.097 . 0 0 "[ . 1 . 2]" 1
1306 2 5 LYS QE 2 5 LYS QG . . 3.240 2.271 2.117 2.418 . 0 0 "[ . 1 . 2]" 1
1307 2 5 LYS QG 2 6 VAL H . . 5.500 4.050 2.384 4.912 . 0 0 "[ . 1 . 2]" 1
1308 2 11 VAL HB 2 12 ALA H . . 5.420 3.623 2.026 4.417 . 0 0 "[ . 1 . 2]" 1
1309 2 12 ALA H 2 13 THR H . . 4.710 3.893 2.136 4.663 . 0 0 "[ . 1 . 2]" 1
1310 2 12 ALA HA 2 13 THR H . . 3.550 2.472 2.138 3.454 . 0 0 "[ . 1 . 2]" 1
1311 2 12 ALA MB 2 13 THR H . . 5.060 2.893 1.930 3.580 . 0 0 "[ . 1 . 2]" 1
1312 2 13 THR HB 2 15 SER H . . 4.950 4.640 2.871 5.111 0.161 12 0 "[ . 1 . 2]" 1
1313 2 14 THR H 2 15 SER H . . 5.300 3.157 2.072 4.235 . 0 0 "[ . 1 . 2]" 1
1314 2 16 PRO HA 2 17 THR H . . 3.320 2.209 2.093 2.379 . 0 0 "[ . 1 . 2]" 1
1315 2 17 THR H 2 17 THR HB . . 3.900 3.448 2.524 3.949 0.049 17 0 "[ . 1 . 2]" 1
1316 2 17 THR HA 2 18 LYS H . . 2.870 2.534 2.050 3.137 0.267 12 0 "[ . 1 . 2]" 1
1317 2 17 THR HA 2 18 LYS QB . . 5.200 4.664 4.143 5.234 0.034 1 0 "[ . 1 . 2]" 1
1318 2 17 THR HB 2 18 LYS H . . 3.760 3.379 1.884 3.858 0.098 1 0 "[ . 1 . 2]" 1
1319 2 18 LYS H 2 18 LYS HB2 . . 4.200 3.741 3.611 3.954 . 0 0 "[ . 1 . 2]" 1
1320 2 18 LYS H 2 18 LYS QB . . 3.660 2.905 2.560 3.232 . 0 0 "[ . 1 . 2]" 1
1321 2 18 LYS H 2 18 LYS HB3 . . 4.200 3.041 2.619 3.476 . 0 0 "[ . 1 . 2]" 1
1322 2 18 LYS H 2 18 LYS QD . . 4.320 3.877 2.013 4.365 0.045 7 0 "[ . 1 . 2]" 1
1323 2 18 LYS H 2 18 LYS QE . . 5.470 4.991 3.831 5.409 . 0 0 "[ . 1 . 2]" 1
1324 2 18 LYS H 2 18 LYS QG . . 3.670 2.262 1.971 3.139 . 0 0 "[ . 1 . 2]" 1
1325 2 18 LYS H 2 19 GLN H . . 4.900 4.448 4.255 4.580 . 0 0 "[ . 1 . 2]" 1
1326 2 18 LYS H 2 20 ASN H . . 5.490 5.328 4.794 5.544 0.054 1 0 "[ . 1 . 2]" 1
1327 2 18 LYS HA 2 18 LYS QE . . 5.500 4.978 4.231 5.459 . 0 0 "[ . 1 . 2]" 1
1328 2 18 LYS HA 2 19 GLN HG2 . . 4.890 4.769 4.504 4.902 0.012 10 0 "[ . 1 . 2]" 1
1329 2 18 LYS HA 2 19 GLN HG3 . . 4.890 3.413 3.072 3.775 . 0 0 "[ . 1 . 2]" 1
1330 2 18 LYS HA 2 20 ASN H . . 4.370 4.046 3.698 4.343 . 0 0 "[ . 1 . 2]" 1
1331 2 18 LYS QB 2 18 LYS QD . . 2.830 2.339 2.092 2.601 . 0 0 "[ . 1 . 2]" 1
1332 2 18 LYS QB 2 18 LYS QE . . 3.870 2.754 2.095 3.522 . 0 0 "[ . 1 . 2]" 1
1333 2 18 LYS QB 2 20 ASN H . . 3.750 2.612 2.400 2.732 . 0 0 "[ . 1 . 2]" 1
1334 2 18 LYS QB 2 20 ASN HA . . 5.340 3.807 3.581 4.082 . 0 0 "[ . 1 . 2]" 1
1335 2 18 LYS QB 2 21 ILE H . . 4.460 4.471 4.218 4.597 0.137 8 0 "[ . 1 . 2]" 1
1336 2 18 LYS HB2 2 18 LYS QD . . 3.400 2.965 2.421 3.448 0.048 3 0 "[ . 1 . 2]" 1
1337 2 18 LYS HB2 2 19 GLN H . . 4.920 2.348 1.941 2.778 . 0 0 "[ . 1 . 2]" 1
1338 2 18 LYS HB2 2 20 ASN H . . 4.540 2.633 2.415 2.757 . 0 0 "[ . 1 . 2]" 1
1339 2 18 LYS HB3 2 18 LYS QD . . 3.400 2.455 2.265 2.690 . 0 0 "[ . 1 . 2]" 1
1340 2 18 LYS HB3 2 19 GLN H . . 4.920 3.697 3.397 3.991 . 0 0 "[ . 1 . 2]" 1
1341 2 18 LYS HB3 2 20 ASN H . . 4.540 4.341 4.109 4.485 . 0 0 "[ . 1 . 2]" 1
1342 2 18 LYS QD 2 18 LYS HG2 . . 2.450 2.207 2.153 2.416 . 0 0 "[ . 1 . 2]" 1
1343 2 18 LYS QD 2 18 LYS HG3 . . 2.450 2.348 2.246 2.427 . 0 0 "[ . 1 . 2]" 1
1344 2 18 LYS QD 2 20 ASN H . . 4.880 4.390 3.595 4.900 0.020 8 0 "[ . 1 . 2]" 1
1345 2 18 LYS QD 2 65 ASP H . . 5.500 5.222 4.175 5.637 0.137 12 0 "[ . 1 . 2]" 1
1346 2 18 LYS QD 2 65 ASP QB . . 5.500 3.036 1.940 4.006 . 0 0 "[ . 1 . 2]" 1
1347 2 18 LYS QE 2 18 LYS QG . . 3.250 2.410 2.130 2.532 . 0 0 "[ . 1 . 2]" 1
1348 2 18 LYS QE 2 20 ASN HD21 . . 5.500 3.218 2.034 4.099 . 0 0 "[ . 1 . 2]" 1
1349 2 18 LYS QE 2 65 ASP H . . 5.500 5.140 4.004 5.609 0.109 13 0 "[ . 1 . 2]" 1
1350 2 18 LYS QE 2 65 ASP HA . . 5.500 3.852 3.147 4.198 . 0 0 "[ . 1 . 2]" 1
1351 2 18 LYS QE 2 68 LEU HG . . 5.500 4.374 2.671 5.589 0.089 10 0 "[ . 1 . 2]" 1
1352 2 18 LYS QG 2 19 GLN H . . 5.340 3.481 3.003 3.943 . 0 0 "[ . 1 . 2]" 1
1353 2 18 LYS QG 2 20 ASN H . . 4.340 3.021 2.293 3.538 . 0 0 "[ . 1 . 2]" 1
1354 2 18 LYS QG 2 20 ASN HA . . 5.160 3.548 2.445 3.910 . 0 0 "[ . 1 . 2]" 1
1355 2 18 LYS QG 2 20 ASN QB . . 4.520 4.029 3.440 4.289 . 0 0 "[ . 1 . 2]" 1
1356 2 18 LYS QG 2 65 ASP QB . . 4.610 4.193 3.057 4.627 0.017 2 0 "[ . 1 . 2]" 1
1357 2 19 GLN H 2 19 GLN HG2 . . 4.830 3.680 3.382 3.948 . 0 0 "[ . 1 . 2]" 1
1358 2 19 GLN H 2 19 GLN HG3 . . 4.830 2.444 2.075 2.749 . 0 0 "[ . 1 . 2]" 1
1359 2 19 GLN H 2 20 ASN H . . 4.130 2.068 1.815 2.247 . 0 0 "[ . 1 . 2]" 1
1360 2 19 GLN H 2 21 ILE H . . 5.460 3.708 3.493 4.058 . 0 0 "[ . 1 . 2]" 1
1361 2 19 GLN H 2 85 LYS HA . . 4.340 4.139 3.937 4.282 . 0 0 "[ . 1 . 2]" 1
1362 2 19 GLN HA 2 19 GLN HG2 . . 4.020 2.597 2.552 2.647 . 0 0 "[ . 1 . 2]" 1
1363 2 19 GLN HA 2 19 GLN QG . . 3.450 2.454 2.417 2.493 . 0 0 "[ . 1 . 2]" 1
1364 2 19 GLN HA 2 19 GLN HG3 . . 4.020 3.022 2.936 3.126 . 0 0 "[ . 1 . 2]" 1
1365 2 19 GLN QB 2 21 ILE H . . 5.160 2.760 2.567 3.096 . 0 0 "[ . 1 . 2]" 1
1366 2 19 GLN QB 2 85 LYS QB . . 5.060 2.218 1.790 2.670 . 0 0 "[ . 1 . 2]" 1
1367 2 19 GLN HB2 2 85 LYS HA . . 5.500 3.943 3.865 4.049 . 0 0 "[ . 1 . 2]" 1
1368 2 19 GLN HB3 2 85 LYS HA . . 5.500 5.572 5.525 5.679 0.179 16 0 "[ . 1 . 2]" 1
1369 2 19 GLN HE21 2 85 LYS HA . . 5.500 3.815 3.477 4.134 . 0 0 "[ . 1 . 2]" 1
1370 2 19 GLN HE21 2 85 LYS HB2 . . 5.010 4.169 3.705 4.586 . 0 0 "[ . 1 . 2]" 1
1371 2 19 GLN HE21 2 85 LYS HB3 . . 5.010 2.488 2.146 2.842 . 0 0 "[ . 1 . 2]" 1
1372 2 19 GLN HE21 2 85 LYS QE . . 5.500 4.553 2.984 5.181 . 0 0 "[ . 1 . 2]" 1
1373 2 19 GLN QG 2 20 ASN H . . 4.590 3.991 3.846 4.068 . 0 0 "[ . 1 . 2]" 1
1374 2 19 GLN QG 2 85 LYS HA . . 4.430 4.342 4.141 4.469 0.039 16 0 "[ . 1 . 2]" 1
1375 2 19 GLN QG 2 85 LYS QB . . 4.390 3.310 2.934 3.613 . 0 0 "[ . 1 . 2]" 1
1376 2 19 GLN QG 2 85 LYS QG . . 5.080 4.840 4.229 5.182 0.102 19 0 "[ . 1 . 2]" 1
1377 2 19 GLN HG2 2 20 ASN H . . 5.300 4.993 4.911 5.052 . 0 0 "[ . 1 . 2]" 1
1378 2 19 GLN HG3 2 20 ASN H . . 5.300 4.198 4.016 4.299 . 0 0 "[ . 1 . 2]" 1
1379 2 20 ASN H 2 20 ASN HD21 . . 5.500 4.946 4.635 5.317 . 0 0 "[ . 1 . 2]" 1
1380 2 20 ASN H 2 21 ILE H . . 3.780 2.316 2.164 2.504 . 0 0 "[ . 1 . 2]" 1
1381 2 20 ASN H 2 21 ILE HB . . 5.500 4.393 4.197 4.642 . 0 0 "[ . 1 . 2]" 1
1382 2 20 ASN H 2 85 LYS H . . 5.500 4.566 4.436 4.754 . 0 0 "[ . 1 . 2]" 1
1383 2 20 ASN H 2 85 LYS HA . . 4.960 4.885 4.550 5.023 0.063 18 0 "[ . 1 . 2]" 1
1384 2 20 ASN QB 2 65 ASP QB . . 5.340 4.408 3.662 4.938 . 0 0 "[ . 1 . 2]" 1
1385 2 20 ASN QB 2 68 LEU QB . . 4.760 3.235 2.521 4.208 . 0 0 "[ . 1 . 2]" 1
1386 2 20 ASN HB2 2 64 SER H . . 5.500 5.535 5.190 5.606 0.106 8 0 "[ . 1 . 2]" 1
1387 2 20 ASN HB2 2 65 ASP HA . . 5.500 5.409 5.031 5.540 0.040 12 0 "[ . 1 . 2]" 1
1388 2 20 ASN HB3 2 64 SER H . . 5.500 4.800 4.588 5.043 . 0 0 "[ . 1 . 2]" 1
1389 2 20 ASN HB3 2 65 ASP HA . . 5.500 3.853 3.536 4.070 . 0 0 "[ . 1 . 2]" 1
1390 2 20 ASN HD21 2 65 ASP H . . 5.060 3.212 2.901 3.733 . 0 0 "[ . 1 . 2]" 1
1391 2 20 ASN HD21 2 65 ASP HA . . 4.940 3.618 3.090 4.339 . 0 0 "[ . 1 . 2]" 1
1392 2 20 ASN HD21 2 65 ASP QB . . 5.500 2.501 2.014 3.214 . 0 0 "[ . 1 . 2]" 1
1393 2 21 ILE H 2 21 ILE HB . . 3.940 2.540 2.305 2.747 . 0 0 "[ . 1 . 2]" 1
1394 2 21 ILE H 2 22 ILE H . . 4.950 4.432 4.314 4.488 . 0 0 "[ . 1 . 2]" 1
1395 2 21 ILE H 2 84 VAL HA . . 5.500 4.947 4.536 5.163 . 0 0 "[ . 1 . 2]" 1
1396 2 21 ILE H 2 85 LYS H . . 4.460 3.237 3.023 3.360 . 0 0 "[ . 1 . 2]" 1
1397 2 21 ILE H 2 85 LYS HA . . 5.200 4.577 4.439 4.685 . 0 0 "[ . 1 . 2]" 1
1398 2 21 ILE H 2 85 LYS HB2 . . 5.500 2.612 1.957 3.172 . 0 0 "[ . 1 . 2]" 1
1399 2 21 ILE H 2 85 LYS HB3 . . 5.500 3.717 3.196 4.110 . 0 0 "[ . 1 . 2]" 1
1400 2 21 ILE HA 2 68 LEU QB . . 5.340 5.094 4.379 5.436 0.096 3 0 "[ . 1 . 2]" 1
1401 2 21 ILE HB 2 22 ILE H . . 5.050 3.902 3.780 4.145 . 0 0 "[ . 1 . 2]" 1
1402 2 21 ILE HB 2 85 LYS H . . 5.500 3.732 3.524 3.850 . 0 0 "[ . 1 . 2]" 1
1403 2 22 ILE H 2 22 ILE HG12 . . 5.500 4.250 4.060 4.355 . 0 0 "[ . 1 . 2]" 1
1404 2 22 ILE H 2 23 GLN H . . 5.490 4.254 4.169 4.345 . 0 0 "[ . 1 . 2]" 1
1405 2 22 ILE H 2 44 MET ME . . 5.500 4.052 3.704 4.713 . 0 0 "[ . 1 . 2]" 1
1406 2 22 ILE H 2 60 SER H . . 5.430 3.055 2.625 3.301 . 0 0 "[ . 1 . 2]" 1
1407 2 22 ILE H 2 60 SER HG . . 5.260 3.737 2.008 4.146 . 0 0 "[ . 1 . 2]" 1
1408 2 22 ILE HA 2 85 LYS H . . 5.500 3.104 2.791 3.289 . 0 0 "[ . 1 . 2]" 1
1409 2 22 ILE HB 2 23 GLN H . . 4.370 4.169 4.055 4.308 . 0 0 "[ . 1 . 2]" 1
1410 2 22 ILE HB 2 23 GLN HA . . 5.220 4.722 4.552 4.873 . 0 0 "[ . 1 . 2]" 1
1411 2 22 ILE HB 2 44 MET ME . . 5.400 3.080 2.623 3.525 . 0 0 "[ . 1 . 2]" 1
1412 2 22 ILE HB 2 58 PHE QD . . 5.500 4.749 4.199 5.033 . 0 0 "[ . 1 . 2]" 1
1413 2 22 ILE HB 2 58 PHE QE . . 4.730 3.054 2.559 3.370 . 0 0 "[ . 1 . 2]" 1
1414 2 22 ILE HB 2 60 SER QB . . 5.340 2.912 2.579 3.666 . 0 0 "[ . 1 . 2]" 1
1415 2 22 ILE HB 2 82 TYR QB . . 5.340 5.074 4.843 5.297 . 0 0 "[ . 1 . 2]" 1
1416 2 22 ILE HB 2 85 LYS H . . 5.500 5.581 5.543 5.640 0.140 10 0 "[ . 1 . 2]" 1
1417 2 22 ILE HG12 2 71 MET QB . . 5.500 5.004 4.653 5.297 . 0 0 "[ . 1 . 2]" 1
1418 2 22 ILE HG12 2 84 VAL HA . . 5.500 2.716 2.563 2.933 . 0 0 "[ . 1 . 2]" 1
1419 2 22 ILE HG12 2 85 LYS H . . 5.500 3.902 3.692 4.170 . 0 0 "[ . 1 . 2]" 1
1420 2 23 GLN H 2 23 GLN QG . . 4.710 4.055 3.998 4.217 . 0 0 "[ . 1 . 2]" 1
1421 2 23 GLN H 2 82 TYR HA . . 5.270 4.552 4.336 4.670 . 0 0 "[ . 1 . 2]" 1
1422 2 23 GLN H 2 82 TYR QB . . 5.340 3.691 3.550 3.811 . 0 0 "[ . 1 . 2]" 1
1423 2 23 GLN H 2 82 TYR QD . . 5.500 4.392 4.203 4.565 . 0 0 "[ . 1 . 2]" 1
1424 2 23 GLN H 2 83 GLU H . . 4.210 2.574 2.426 2.699 . 0 0 "[ . 1 . 2]" 1
1425 2 23 GLN H 2 83 GLU QB . . 5.320 2.883 2.716 3.118 . 0 0 "[ . 1 . 2]" 1
1426 2 23 GLN H 2 83 GLU QG . . 4.120 4.203 4.142 4.255 0.135 12 0 "[ . 1 . 2]" 1
1427 2 23 GLN H 2 84 VAL HA . . 4.460 4.201 3.859 4.490 0.030 3 0 "[ . 1 . 2]" 1
1428 2 23 GLN H 2 85 LYS H . . 5.320 4.670 4.168 4.968 . 0 0 "[ . 1 . 2]" 1
1429 2 23 GLN H 2 85 LYS QE . . 5.500 3.498 2.728 4.417 . 0 0 "[ . 1 . 2]" 1
1430 2 23 GLN H 2 85 LYS QG . . 5.280 4.051 3.044 5.307 0.027 5 0 "[ . 1 . 2]" 1
1431 2 23 GLN HA 2 23 GLN HE21 . . 5.500 5.404 4.158 5.639 0.139 19 0 "[ . 1 . 2]" 1
1432 2 23 GLN HA 2 58 PHE H . . 5.500 4.665 4.526 4.800 . 0 0 "[ . 1 . 2]" 1
1433 2 23 GLN HA 2 60 SER H . . 5.500 3.338 3.176 3.962 . 0 0 "[ . 1 . 2]" 1
1434 2 23 GLN QB 2 24 SER H . . 4.400 3.583 3.472 3.962 . 0 0 "[ . 1 . 2]" 1
1435 2 23 GLN QB 2 59 ILE HA . . 5.340 3.474 3.097 3.834 . 0 0 "[ . 1 . 2]" 1
1436 2 23 GLN QB 2 60 SER H . . 5.340 4.400 4.143 4.845 . 0 0 "[ . 1 . 2]" 1
1437 2 23 GLN HB2 2 85 LYS QE . . 5.500 2.586 2.104 3.221 . 0 0 "[ . 1 . 2]" 1
1438 2 23 GLN HB3 2 85 LYS QE . . 5.500 2.939 2.062 3.602 . 0 0 "[ . 1 . 2]" 1
1439 2 23 GLN HE21 2 24 SER H . . 5.170 4.972 3.376 5.245 0.075 3 0 "[ . 1 . 2]" 1
1440 2 23 GLN HE21 2 85 LYS QE . . 5.500 5.348 4.896 5.611 0.111 18 0 "[ . 1 . 2]" 1
1441 2 23 GLN QG 2 24 SER H . . 4.110 2.397 2.036 3.795 . 0 0 "[ . 1 . 2]" 1
1442 2 23 GLN QG 2 57 TYR QD . . 4.040 2.848 2.458 3.817 . 0 0 "[ . 1 . 2]" 1
1443 2 23 GLN QG 2 57 TYR QE . . 4.050 3.816 3.278 4.082 0.032 5 0 "[ . 1 . 2]" 1
1444 2 23 GLN QG 2 58 PHE H . . 5.490 4.333 3.911 5.511 0.021 12 0 "[ . 1 . 2]" 1
1445 2 23 GLN QG 2 59 ILE H . . 5.500 4.384 3.980 5.275 . 0 0 "[ . 1 . 2]" 1
1446 2 23 GLN QG 2 59 ILE HA . . 5.500 2.658 2.232 3.716 . 0 0 "[ . 1 . 2]" 1
1447 2 23 GLN QG 2 59 ILE HB . . 5.500 4.117 3.975 4.598 . 0 0 "[ . 1 . 2]" 1
1448 2 23 GLN QG 2 59 ILE HG12 . . 5.190 2.745 1.912 3.258 . 0 0 "[ . 1 . 2]" 1
1449 2 23 GLN QG 2 81 TRP HZ3 . . 5.450 4.518 3.849 5.061 . 0 0 "[ . 1 . 2]" 1
1450 2 24 SER H 2 24 SER HG . . 4.880 3.336 3.272 3.380 . 0 0 "[ . 1 . 2]" 1
1451 2 24 SER H 2 25 GLY H . . 4.820 4.481 4.446 4.542 . 0 0 "[ . 1 . 2]" 1
1452 2 24 SER H 2 27 PHE QE . . 5.500 4.805 4.621 5.009 . 0 0 "[ . 1 . 2]" 1
1453 2 24 SER H 2 57 TYR HB2 . . 5.450 3.580 3.455 3.720 . 0 0 "[ . 1 . 2]" 1
1454 2 24 SER H 2 57 TYR QB . . 4.680 3.524 3.406 3.659 . 0 0 "[ . 1 . 2]" 1
1455 2 24 SER H 2 57 TYR HB3 . . 5.450 5.266 5.155 5.422 . 0 0 "[ . 1 . 2]" 1
1456 2 24 SER H 2 57 TYR QD . . 5.170 3.811 3.379 4.091 . 0 0 "[ . 1 . 2]" 1
1457 2 24 SER H 2 58 PHE H . . 4.210 2.978 2.896 3.106 . 0 0 "[ . 1 . 2]" 1
1458 2 24 SER H 2 58 PHE QD . . 5.020 4.181 4.052 4.386 . 0 0 "[ . 1 . 2]" 1
1459 2 24 SER H 2 60 SER H . . 5.500 5.049 4.885 5.402 . 0 0 "[ . 1 . 2]" 1
1460 2 24 SER H 2 81 TRP HZ3 . . 5.500 5.330 4.805 5.523 0.023 1 0 "[ . 1 . 2]" 1
1461 2 24 SER HA 2 82 TYR HB2 . . 5.450 2.891 2.708 3.041 . 0 0 "[ . 1 . 2]" 1
1462 2 24 SER HA 2 82 TYR QB . . 4.670 2.444 2.287 2.618 . 0 0 "[ . 1 . 2]" 1
1463 2 24 SER HA 2 82 TYR HB3 . . 5.450 2.639 2.449 2.856 . 0 0 "[ . 1 . 2]" 1
1464 2 24 SER QB 2 25 GLY H . . 3.670 2.369 2.306 2.476 . 0 0 "[ . 1 . 2]" 1
1465 2 24 SER QB 2 27 PHE QD . . 4.570 2.916 2.619 3.138 . 0 0 "[ . 1 . 2]" 1
1466 2 24 SER QB 2 27 PHE QE . . 4.490 2.947 2.730 3.090 . 0 0 "[ . 1 . 2]" 1
1467 2 24 SER QB 2 27 PHE HZ . . 5.340 4.932 4.695 5.112 . 0 0 "[ . 1 . 2]" 1
1468 2 24 SER QB 2 57 TYR QB . . 4.760 3.893 3.637 4.069 . 0 0 "[ . 1 . 2]" 1
1469 2 24 SER QB 2 58 PHE H . . 4.200 3.371 3.230 3.521 . 0 0 "[ . 1 . 2]" 1
1470 2 24 SER QB 2 58 PHE QD . . 5.090 3.561 3.295 3.795 . 0 0 "[ . 1 . 2]" 1
1471 2 24 SER QB 2 58 PHE QE . . 4.730 2.908 2.665 3.192 . 0 0 "[ . 1 . 2]" 1
1472 2 24 SER QB 2 75 LEU QB . . 5.180 4.100 3.873 4.358 . 0 0 "[ . 1 . 2]" 1
1473 2 24 SER QB 2 80 TRP HE3 . . 5.340 3.507 3.203 3.828 . 0 0 "[ . 1 . 2]" 1
1474 2 24 SER QB 2 81 TRP HE3 . . 5.340 4.822 4.465 5.081 . 0 0 "[ . 1 . 2]" 1
1475 2 24 SER QB 2 82 TYR QB . . 4.270 3.056 2.619 3.394 . 0 0 "[ . 1 . 2]" 1
1476 2 24 SER HB2 2 25 GLY H . . 4.490 2.395 2.329 2.508 . 0 0 "[ . 1 . 2]" 1
1477 2 24 SER HB2 2 27 PHE QD . . 5.340 2.964 2.654 3.195 . 0 0 "[ . 1 . 2]" 1
1478 2 24 SER HB2 2 58 PHE H . . 4.860 3.959 3.881 4.069 . 0 0 "[ . 1 . 2]" 1
1479 2 24 SER HB3 2 25 GLY H . . 4.490 3.760 3.701 3.828 . 0 0 "[ . 1 . 2]" 1
1480 2 24 SER HB3 2 27 PHE QD . . 5.340 4.326 4.012 4.590 . 0 0 "[ . 1 . 2]" 1
1481 2 24 SER HB3 2 58 PHE H . . 4.860 3.652 3.455 3.855 . 0 0 "[ . 1 . 2]" 1
1482 2 24 SER HG 2 25 GLY H . . 4.800 3.526 3.432 3.718 . 0 0 "[ . 1 . 2]" 1
1483 2 24 SER HG 2 27 PHE QD . . 4.650 2.610 2.469 2.806 . 0 0 "[ . 1 . 2]" 1
1484 2 24 SER HG 2 27 PHE QE . . 4.400 2.028 1.945 2.127 . 0 0 "[ . 1 . 2]" 1
1485 2 24 SER HG 2 27 PHE HZ . . 5.440 4.411 4.295 4.564 . 0 0 "[ . 1 . 2]" 1
1486 2 24 SER HG 2 57 TYR HB2 . . 5.250 2.792 2.382 3.055 . 0 0 "[ . 1 . 2]" 1
1487 2 24 SER HG 2 57 TYR QB . . 4.510 2.699 2.332 2.946 . 0 0 "[ . 1 . 2]" 1
1488 2 24 SER HG 2 57 TYR HB3 . . 5.250 3.589 3.318 3.862 . 0 0 "[ . 1 . 2]" 1
1489 2 24 SER HG 2 57 TYR QD . . 4.910 4.563 4.178 4.781 . 0 0 "[ . 1 . 2]" 1
1490 2 24 SER HG 2 58 PHE H . . 4.030 2.252 2.158 2.321 . 0 0 "[ . 1 . 2]" 1
1491 2 25 GLY H 2 26 ALA H . . 4.560 4.465 4.395 4.540 . 0 0 "[ . 1 . 2]" 1
1492 2 25 GLY H 2 27 PHE QD . . 5.410 4.021 3.883 4.193 . 0 0 "[ . 1 . 2]" 1
1493 2 25 GLY H 2 57 TYR QB . . 5.340 4.212 3.993 4.494 . 0 0 "[ . 1 . 2]" 1
1494 2 25 GLY H 2 81 TRP H . . 5.500 4.017 3.856 4.196 . 0 0 "[ . 1 . 2]" 1
1495 2 25 GLY H 2 81 TRP HB2 . . 5.500 5.271 5.036 5.506 0.006 16 0 "[ . 1 . 2]" 1
1496 2 25 GLY H 2 81 TRP HB3 . . 5.500 3.695 3.428 3.945 . 0 0 "[ . 1 . 2]" 1
1497 2 25 GLY H 2 81 TRP HE3 . . 4.310 2.710 2.452 3.055 . 0 0 "[ . 1 . 2]" 1
1498 2 25 GLY H 2 81 TRP HZ3 . . 5.500 4.158 3.992 4.495 . 0 0 "[ . 1 . 2]" 1
1499 2 25 GLY H 2 82 TYR H . . 5.500 4.854 4.573 5.050 . 0 0 "[ . 1 . 2]" 1
1500 2 25 GLY H 2 82 TYR HB2 . . 5.080 4.862 4.630 5.042 . 0 0 "[ . 1 . 2]" 1
1501 2 25 GLY H 2 82 TYR QB . . 4.290 3.717 3.439 3.896 . 0 0 "[ . 1 . 2]" 1
1502 2 25 GLY H 2 82 TYR HB3 . . 5.080 3.858 3.546 4.065 . 0 0 "[ . 1 . 2]" 1
1503 2 25 GLY QA 2 26 ALA MB . . 4.450 3.787 3.772 3.817 . 0 0 "[ . 1 . 2]" 1
1504 2 25 GLY QA 2 57 TYR QD . . 5.340 4.458 4.182 4.802 . 0 0 "[ . 1 . 2]" 1
1505 2 25 GLY QA 2 81 TRP H . . 5.340 4.062 3.695 4.313 . 0 0 "[ . 1 . 2]" 1
1506 2 25 GLY QA 2 81 TRP QB . . 4.530 2.970 2.694 3.262 . 0 0 "[ . 1 . 2]" 1
1507 2 25 GLY QA 2 81 TRP HZ3 . . 5.340 2.790 2.563 3.154 . 0 0 "[ . 1 . 2]" 1
1508 2 25 GLY HA2 2 26 ALA MB . . 5.220 4.157 4.100 4.213 . 0 0 "[ . 1 . 2]" 1
1509 2 25 GLY HA2 2 81 TRP HE3 . . 4.570 2.628 2.409 2.843 . 0 0 "[ . 1 . 2]" 1
1510 2 25 GLY HA3 2 26 ALA MB . . 5.220 4.366 4.287 4.458 . 0 0 "[ . 1 . 2]" 1
1511 2 25 GLY HA3 2 81 TRP HE3 . . 4.570 2.151 1.974 2.476 . 0 0 "[ . 1 . 2]" 1
1512 2 26 ALA H 2 26 ALA MB . . 3.210 2.246 2.231 2.271 . 0 0 "[ . 1 . 2]" 1
1513 2 26 ALA H 2 27 PHE H . . 4.710 4.458 4.407 4.508 . 0 0 "[ . 1 . 2]" 1
1514 2 26 ALA H 2 27 PHE QD . . 5.500 5.140 5.056 5.189 . 0 0 "[ . 1 . 2]" 1
1515 2 26 ALA H 2 57 TYR QB . . 5.180 3.230 2.852 3.412 . 0 0 "[ . 1 . 2]" 1
1516 2 26 ALA H 2 57 TYR QD . . 5.310 4.653 4.229 4.916 . 0 0 "[ . 1 . 2]" 1
1517 2 26 ALA H 2 81 TRP HE3 . . 4.910 4.444 4.202 4.707 . 0 0 "[ . 1 . 2]" 1
1518 2 26 ALA MB 2 27 PHE H . . 3.810 3.223 3.126 3.263 . 0 0 "[ . 1 . 2]" 1
1519 2 26 ALA MB 2 51 GLN H . . 5.500 4.853 4.276 5.158 . 0 0 "[ . 1 . 2]" 1
1520 2 26 ALA MB 2 51 GLN HE21 . . 4.390 3.196 2.808 3.708 . 0 0 "[ . 1 . 2]" 1
1521 2 26 ALA MB 2 51 GLN QG . . 5.340 4.710 4.219 5.296 . 0 0 "[ . 1 . 2]" 1
1522 2 26 ALA MB 2 55 LEU H . . 4.780 4.376 4.032 4.645 . 0 0 "[ . 1 . 2]" 1
1523 2 26 ALA MB 2 55 LEU HA . . 5.470 4.193 3.986 4.391 . 0 0 "[ . 1 . 2]" 1
1524 2 26 ALA MB 2 55 LEU QB . . 4.000 1.920 1.854 2.004 . 0 0 "[ . 1 . 2]" 1
1525 2 26 ALA MB 2 56 THR H . . 4.130 3.645 3.387 3.862 . 0 0 "[ . 1 . 2]" 1
1526 2 26 ALA MB 2 56 THR HA . . 5.500 3.952 3.452 4.287 . 0 0 "[ . 1 . 2]" 1
1527 2 26 ALA MB 2 57 TYR QB . . 4.820 3.066 2.748 3.314 . 0 0 "[ . 1 . 2]" 1
1528 2 26 ALA MB 2 57 TYR QD . . 4.140 3.145 2.652 3.666 . 0 0 "[ . 1 . 2]" 1
1529 2 27 PHE H 2 27 PHE QD . . 4.580 2.903 2.782 3.047 . 0 0 "[ . 1 . 2]" 1
1530 2 27 PHE H 2 27 PHE HZ . . 5.430 5.331 5.225 5.431 0.001 15 0 "[ . 1 . 2]" 1
1531 2 27 PHE H 2 28 SER H . . 5.320 4.421 4.379 4.456 . 0 0 "[ . 1 . 2]" 1
1532 2 27 PHE H 2 55 LEU QB . . 4.600 3.167 2.911 3.348 . 0 0 "[ . 1 . 2]" 1
1533 2 27 PHE H 2 56 THR H . . 3.900 2.828 2.714 2.951 . 0 0 "[ . 1 . 2]" 1
1534 2 27 PHE H 2 56 THR HA . . 5.500 4.520 4.383 4.615 . 0 0 "[ . 1 . 2]" 1
1535 2 27 PHE H 2 57 TYR H . . 5.500 4.801 4.689 4.896 . 0 0 "[ . 1 . 2]" 1
1536 2 27 PHE H 2 57 TYR QB . . 4.910 3.748 3.492 3.972 . 0 0 "[ . 1 . 2]" 1
1537 2 27 PHE H 2 57 TYR QD . . 5.500 5.070 4.793 5.324 . 0 0 "[ . 1 . 2]" 1
1538 2 27 PHE QB 2 28 SER H . . 3.500 2.059 1.981 2.123 . 0 0 "[ . 1 . 2]" 1
1539 2 27 PHE QB 2 28 SER QB . . 4.760 3.809 3.702 3.897 . 0 0 "[ . 1 . 2]" 1
1540 2 27 PHE QB 2 31 GLU QB . . 5.180 3.650 3.360 3.884 . 0 0 "[ . 1 . 2]" 1
1541 2 27 PHE QB 2 80 TRP HZ2 . . 4.500 3.735 3.382 4.213 . 0 0 "[ . 1 . 2]" 1
1542 2 27 PHE HB2 2 28 SER H . . 4.020 2.073 1.993 2.140 . 0 0 "[ . 1 . 2]" 1
1543 2 27 PHE HB2 2 80 TRP HE1 . . 5.500 3.765 3.128 4.716 . 0 0 "[ . 1 . 2]" 1
1544 2 27 PHE HB2 2 80 TRP HE3 . . 5.500 4.988 4.504 5.386 . 0 0 "[ . 1 . 2]" 1
1545 2 27 PHE HB2 2 80 TRP HZ2 . . 5.250 3.859 3.483 4.424 . 0 0 "[ . 1 . 2]" 1
1546 2 27 PHE HB3 2 28 SER H . . 4.020 3.506 3.476 3.561 . 0 0 "[ . 1 . 2]" 1
1547 2 27 PHE HB3 2 80 TRP HE1 . . 5.500 4.429 3.975 5.033 . 0 0 "[ . 1 . 2]" 1
1548 2 27 PHE HB3 2 80 TRP HE3 . . 5.500 4.300 3.916 4.691 . 0 0 "[ . 1 . 2]" 1
1549 2 27 PHE HB3 2 80 TRP HZ2 . . 5.250 4.990 4.581 5.293 0.043 17 0 "[ . 1 . 2]" 1
1550 2 27 PHE QD 2 28 SER H . . 4.400 3.041 2.893 3.145 . 0 0 "[ . 1 . 2]" 1
1551 2 27 PHE QD 2 28 SER HA . . 5.130 4.413 4.315 4.478 . 0 0 "[ . 1 . 2]" 1
1552 2 27 PHE QD 2 28 SER QB . . 4.610 3.815 3.513 4.085 . 0 0 "[ . 1 . 2]" 1
1553 2 27 PHE QD 2 29 PRO HA . . 4.780 4.409 4.208 4.628 . 0 0 "[ . 1 . 2]" 1
1554 2 27 PHE QD 2 30 TYR H . . 5.500 5.362 5.226 5.421 . 0 0 "[ . 1 . 2]" 1
1555 2 27 PHE QD 2 31 GLU H . . 4.840 3.815 3.670 3.925 . 0 0 "[ . 1 . 2]" 1
1556 2 27 PHE QD 2 31 GLU HB2 . . 3.990 2.490 2.236 2.708 . 0 0 "[ . 1 . 2]" 1
1557 2 27 PHE QD 2 31 GLU HB3 . . 3.990 3.867 3.539 4.018 0.028 1 0 "[ . 1 . 2]" 1
1558 2 27 PHE QD 2 31 GLU HG2 . . 5.470 4.634 4.368 4.954 . 0 0 "[ . 1 . 2]" 1
1559 2 27 PHE QD 2 31 GLU QG . . 4.770 3.888 3.546 4.159 . 0 0 "[ . 1 . 2]" 1
1560 2 27 PHE QD 2 31 GLU HG3 . . 5.470 4.185 3.737 4.534 . 0 0 "[ . 1 . 2]" 1
1561 2 27 PHE QD 2 32 THR H . . 5.210 3.838 3.658 4.050 . 0 0 "[ . 1 . 2]" 1
1562 2 27 PHE QD 2 32 THR HA . . 5.500 4.216 4.128 4.324 . 0 0 "[ . 1 . 2]" 1
1563 2 27 PHE QD 2 56 THR H . . 5.500 4.468 4.359 4.605 . 0 0 "[ . 1 . 2]" 1
1564 2 27 PHE QD 2 57 TYR HA . . 4.580 3.344 3.127 3.617 . 0 0 "[ . 1 . 2]" 1
1565 2 27 PHE QD 2 57 TYR QB . . 5.010 4.055 3.669 4.339 . 0 0 "[ . 1 . 2]" 1
1566 2 27 PHE QD 2 58 PHE H . . 5.060 4.507 4.287 4.791 . 0 0 "[ . 1 . 2]" 1
1567 2 27 PHE QD 2 80 TRP HH2 . . 4.960 4.014 3.678 4.228 . 0 0 "[ . 1 . 2]" 1
1568 2 27 PHE QD 2 80 TRP HZ3 . . 4.510 4.295 3.981 4.526 0.016 18 0 "[ . 1 . 2]" 1
1569 2 27 PHE QE 2 29 PRO HA . . 4.850 4.410 4.140 4.637 . 0 0 "[ . 1 . 2]" 1
1570 2 27 PHE QE 2 31 GLU HB2 . . 4.880 3.494 3.176 3.763 . 0 0 "[ . 1 . 2]" 1
1571 2 27 PHE QE 2 31 GLU QB . . 4.300 3.345 3.100 3.584 . 0 0 "[ . 1 . 2]" 1
1572 2 27 PHE QE 2 31 GLU HB3 . . 4.880 4.284 3.991 4.503 . 0 0 "[ . 1 . 2]" 1
1573 2 27 PHE QE 2 32 THR H . . 5.060 3.176 3.032 3.355 . 0 0 "[ . 1 . 2]" 1
1574 2 27 PHE QE 2 32 THR HA . . 4.380 2.069 1.970 2.199 . 0 0 "[ . 1 . 2]" 1
1575 2 27 PHE QE 2 35 VAL HB . . 5.310 3.791 3.429 4.509 . 0 0 "[ . 1 . 2]" 1
1576 2 27 PHE QE 2 36 MET QG . . 5.270 5.278 5.183 5.326 0.056 4 0 "[ . 1 . 2]" 1
1577 2 27 PHE QE 2 48 PHE QE . . 4.180 3.100 2.950 3.370 . 0 0 "[ . 1 . 2]" 1
1578 2 27 PHE QE 2 48 PHE HZ . . 5.330 4.919 4.800 5.239 . 0 0 "[ . 1 . 2]" 1
1579 2 27 PHE QE 2 57 TYR HA . . 4.750 2.620 2.270 3.020 . 0 0 "[ . 1 . 2]" 1
1580 2 27 PHE QE 2 57 TYR HB2 . . 5.210 4.355 3.869 4.706 . 0 0 "[ . 1 . 2]" 1
1581 2 27 PHE QE 2 57 TYR QB . . 4.390 4.032 3.623 4.343 . 0 0 "[ . 1 . 2]" 1
1582 2 27 PHE QE 2 57 TYR HB3 . . 5.210 4.762 4.368 5.098 . 0 0 "[ . 1 . 2]" 1
1583 2 27 PHE QE 2 58 PHE H . . 4.830 2.821 2.554 3.269 . 0 0 "[ . 1 . 2]" 1
1584 2 27 PHE QE 2 80 TRP HZ3 . . 4.750 3.961 3.698 4.139 . 0 0 "[ . 1 . 2]" 1
1585 2 27 PHE HZ 2 32 THR HA . . 5.280 3.428 3.286 3.584 . 0 0 "[ . 1 . 2]" 1
1586 2 27 PHE HZ 2 35 VAL HB . . 5.340 3.703 3.307 4.704 . 0 0 "[ . 1 . 2]" 1
1587 2 27 PHE HZ 2 48 PHE QE . . 3.980 1.937 1.881 2.093 . 0 0 "[ . 1 . 2]" 1
1588 2 27 PHE HZ 2 48 PHE HZ . . 5.320 3.929 3.756 4.340 . 0 0 "[ . 1 . 2]" 1
1589 2 27 PHE HZ 2 58 PHE QD . . 3.660 2.293 2.142 2.414 . 0 0 "[ . 1 . 2]" 1
1590 2 27 PHE HZ 2 80 TRP HZ3 . . 5.310 4.277 3.892 4.478 . 0 0 "[ . 1 . 2]" 1
1591 2 28 SER H 2 28 SER HB2 . . 3.720 2.483 2.427 2.598 . 0 0 "[ . 1 . 2]" 1
1592 2 28 SER H 2 28 SER HB3 . . 3.720 3.316 2.495 3.579 . 0 0 "[ . 1 . 2]" 1
1593 2 28 SER H 2 29 PRO HD2 . . 5.500 4.713 4.683 4.756 . 0 0 "[ . 1 . 2]" 1
1594 2 28 SER H 2 29 PRO HD3 . . 5.500 4.990 4.899 5.077 . 0 0 "[ . 1 . 2]" 1
1595 2 28 SER H 2 30 TYR H . . 5.500 5.478 5.294 5.526 0.026 3 0 "[ . 1 . 2]" 1
1596 2 28 SER H 2 31 GLU H . . 5.360 4.860 4.615 4.978 . 0 0 "[ . 1 . 2]" 1
1597 2 28 SER H 2 31 GLU HG2 . . 5.030 4.683 4.375 5.042 0.012 17 0 "[ . 1 . 2]" 1
1598 2 28 SER H 2 31 GLU QG . . 4.250 3.867 3.452 4.222 . 0 0 "[ . 1 . 2]" 1
1599 2 28 SER H 2 31 GLU HG3 . . 5.030 4.133 3.609 4.597 . 0 0 "[ . 1 . 2]" 1
1600 2 28 SER H 2 56 THR H . . 5.500 5.231 5.090 5.452 . 0 0 "[ . 1 . 2]" 1
1601 2 28 SER H 2 80 TRP HZ2 . . 5.500 4.738 4.465 5.319 . 0 0 "[ . 1 . 2]" 1
1602 2 28 SER HA 2 29 PRO HG2 . . 5.100 4.235 4.186 4.293 . 0 0 "[ . 1 . 2]" 1
1603 2 28 SER HA 2 29 PRO HG3 . . 5.100 4.410 4.393 4.434 . 0 0 "[ . 1 . 2]" 1
1604 2 28 SER HA 2 30 TYR H . . 5.320 4.080 3.944 4.222 . 0 0 "[ . 1 . 2]" 1
1605 2 28 SER HA 2 31 GLU H . . 5.120 4.854 4.629 5.003 . 0 0 "[ . 1 . 2]" 1
1606 2 28 SER QB 2 30 TYR H . . 3.910 3.072 2.854 3.558 . 0 0 "[ . 1 . 2]" 1
1607 2 28 SER QB 2 30 TYR QD . . 3.630 2.817 2.245 3.499 . 0 0 "[ . 1 . 2]" 1
1608 2 28 SER QB 2 30 TYR QE . . 4.090 2.592 2.265 3.154 . 0 0 "[ . 1 . 2]" 1
1609 2 28 SER QB 2 31 GLU H . . 4.290 3.216 2.950 3.452 . 0 0 "[ . 1 . 2]" 1
1610 2 28 SER QB 2 31 GLU QB . . 4.510 3.307 2.838 3.632 . 0 0 "[ . 1 . 2]" 1
1611 2 28 SER QB 2 31 GLU QG . . 4.050 2.522 2.065 2.930 . 0 0 "[ . 1 . 2]" 1
1612 2 28 SER HB2 2 30 TYR QD . . 4.290 3.913 3.218 4.312 0.022 16 0 "[ . 1 . 2]" 1
1613 2 28 SER HB2 2 30 TYR QE . . 4.670 3.419 2.671 3.853 . 0 0 "[ . 1 . 2]" 1
1614 2 28 SER HB2 2 31 GLU H . . 5.100 3.703 3.108 5.128 0.028 2 0 "[ . 1 . 2]" 1
1615 2 28 SER HB2 2 31 GLU HG2 . . 5.250 3.151 2.277 4.842 . 0 0 "[ . 1 . 2]" 1
1616 2 28 SER HB2 2 31 GLU HG3 . . 5.250 3.343 2.097 5.111 . 0 0 "[ . 1 . 2]" 1
1617 2 28 SER HB3 2 30 TYR QD . . 4.290 2.897 2.291 3.705 . 0 0 "[ . 1 . 2]" 1
1618 2 28 SER HB3 2 30 TYR QE . . 4.670 2.708 2.365 3.440 . 0 0 "[ . 1 . 2]" 1
1619 2 28 SER HB3 2 31 GLU H . . 5.100 3.807 3.465 4.112 . 0 0 "[ . 1 . 2]" 1
1620 2 28 SER HB3 2 31 GLU HG2 . . 5.250 3.726 3.034 4.976 . 0 0 "[ . 1 . 2]" 1
1621 2 28 SER HB3 2 31 GLU HG3 . . 5.250 4.332 3.406 5.117 . 0 0 "[ . 1 . 2]" 1
1622 2 29 PRO HA 2 31 GLU H . . 4.280 3.947 3.872 4.050 . 0 0 "[ . 1 . 2]" 1
1623 2 29 PRO HA 2 32 THR H . . 3.800 3.483 3.409 3.551 . 0 0 "[ . 1 . 2]" 1
1624 2 29 PRO HA 2 32 THR HG1 . . 4.480 2.112 2.027 2.200 . 0 0 "[ . 1 . 2]" 1
1625 2 29 PRO HA 2 55 LEU HA . . 4.530 4.550 4.487 4.582 0.052 1 0 "[ . 1 . 2]" 1
1626 2 29 PRO HA 2 56 THR H . . 4.710 4.340 4.146 4.448 . 0 0 "[ . 1 . 2]" 1
1627 2 29 PRO HA 2 56 THR HB . . 5.500 4.466 4.289 4.620 . 0 0 "[ . 1 . 2]" 1
1628 2 29 PRO QB 2 30 TYR H . . 3.830 3.232 3.174 3.294 . 0 0 "[ . 1 . 2]" 1
1629 2 29 PRO QB 2 31 GLU H . . 5.340 4.782 4.726 4.840 . 0 0 "[ . 1 . 2]" 1
1630 2 29 PRO QB 2 32 THR H . . 5.160 4.750 4.687 4.823 . 0 0 "[ . 1 . 2]" 1
1631 2 29 PRO QB 2 32 THR HB . . 5.340 4.326 4.226 4.451 . 0 0 "[ . 1 . 2]" 1
1632 2 29 PRO QB 2 32 THR HG1 . . 5.340 3.586 3.413 3.800 . 0 0 "[ . 1 . 2]" 1
1633 2 29 PRO QB 2 54 GLY QA . . 4.760 4.693 4.421 4.798 0.038 14 0 "[ . 1 . 2]" 1
1634 2 29 PRO HB2 2 30 TYR H . . 4.500 3.346 3.277 3.415 . 0 0 "[ . 1 . 2]" 1
1635 2 29 PRO HB3 2 30 TYR H . . 4.500 4.273 4.203 4.356 . 0 0 "[ . 1 . 2]" 1
1636 2 29 PRO QD 2 30 TYR H . . 3.610 3.071 2.934 3.269 . 0 0 "[ . 1 . 2]" 1
1637 2 29 PRO QD 2 55 LEU HA . . 5.020 2.356 2.126 2.516 . 0 0 "[ . 1 . 2]" 1
1638 2 29 PRO QD 2 56 THR H . . 5.350 3.829 3.597 3.992 . 0 0 "[ . 1 . 2]" 1
1639 2 29 PRO QG 2 30 TYR H . . 4.110 2.698 2.553 2.979 . 0 0 "[ . 1 . 2]" 1
1640 2 30 TYR H 2 30 TYR HB2 . . 3.750 3.701 3.673 3.743 . 0 0 "[ . 1 . 2]" 1
1641 2 30 TYR H 2 30 TYR HB3 . . 3.750 2.679 2.561 2.826 . 0 0 "[ . 1 . 2]" 1
1642 2 30 TYR H 2 30 TYR QD . . 3.970 2.383 2.123 2.704 . 0 0 "[ . 1 . 2]" 1
1643 2 30 TYR H 2 30 TYR QE . . 5.030 4.270 4.121 4.442 . 0 0 "[ . 1 . 2]" 1
1644 2 30 TYR H 2 31 GLU H . . 3.760 2.575 2.496 2.628 . 0 0 "[ . 1 . 2]" 1
1645 2 30 TYR H 2 31 GLU QB . . 4.880 4.596 4.474 4.725 . 0 0 "[ . 1 . 2]" 1
1646 2 30 TYR H 2 32 THR HG1 . . 5.370 5.201 5.147 5.283 . 0 0 "[ . 1 . 2]" 1
1647 2 30 TYR HA 2 33 PRO QD . . 5.030 2.986 2.890 3.106 . 0 0 "[ . 1 . 2]" 1
1648 2 30 TYR HA 2 33 PRO HG2 . . 4.630 4.195 4.037 4.428 . 0 0 "[ . 1 . 2]" 1
1649 2 30 TYR HA 2 33 PRO QG . . 4.040 3.375 3.164 3.594 . 0 0 "[ . 1 . 2]" 1
1650 2 30 TYR HA 2 33 PRO HG3 . . 4.630 3.559 3.306 3.802 . 0 0 "[ . 1 . 2]" 1
1651 2 30 TYR QB 2 31 GLU QG . . 5.180 4.425 4.220 4.530 . 0 0 "[ . 1 . 2]" 1
1652 2 30 TYR QB 2 33 PRO QG . . 4.530 4.133 3.978 4.286 . 0 0 "[ . 1 . 2]" 1
1653 2 30 TYR HB2 2 31 GLU H . . 5.100 4.255 4.142 4.315 . 0 0 "[ . 1 . 2]" 1
1654 2 30 TYR HB3 2 31 GLU H . . 5.100 4.282 4.174 4.380 . 0 0 "[ . 1 . 2]" 1
1655 2 30 TYR QD 2 31 GLU H . . 5.030 3.615 3.473 3.767 . 0 0 "[ . 1 . 2]" 1
1656 2 30 TYR QD 2 31 GLU QB . . 4.920 4.620 4.337 4.858 . 0 0 "[ . 1 . 2]" 1
1657 2 30 TYR QD 2 31 GLU HG2 . . 5.160 3.350 2.840 3.702 . 0 0 "[ . 1 . 2]" 1
1658 2 30 TYR QD 2 31 GLU QG . . 4.500 3.277 2.808 3.620 . 0 0 "[ . 1 . 2]" 1
1659 2 30 TYR QD 2 31 GLU HG3 . . 5.160 4.738 3.463 5.108 . 0 0 "[ . 1 . 2]" 1
1660 2 30 TYR QD 2 33 PRO QD . . 5.350 5.063 4.970 5.145 . 0 0 "[ . 1 . 2]" 1
1661 2 30 TYR QD 2 33 PRO HG2 . . 5.500 5.246 5.042 5.353 . 0 0 "[ . 1 . 2]" 1
1662 2 30 TYR QD 2 33 PRO HG3 . . 5.500 5.570 5.536 5.606 0.106 20 0 "[ . 1 . 2]" 1
1663 2 30 TYR QE 2 31 GLU H . . 5.500 4.664 4.555 4.814 . 0 0 "[ . 1 . 2]" 1
1664 2 30 TYR QE 2 31 GLU QB . . 5.220 4.838 4.588 5.149 . 0 0 "[ . 1 . 2]" 1
1665 2 30 TYR QE 2 31 GLU QG . . 5.170 3.082 2.701 3.519 . 0 0 "[ . 1 . 2]" 1
1666 2 31 GLU H 2 31 GLU QB . . 3.670 2.371 2.312 2.500 . 0 0 "[ . 1 . 2]" 1
1667 2 31 GLU H 2 31 GLU HG2 . . 4.490 2.649 2.482 3.394 . 0 0 "[ . 1 . 2]" 1
1668 2 31 GLU H 2 31 GLU QG . . 3.730 2.548 2.208 2.667 . 0 0 "[ . 1 . 2]" 1
1669 2 31 GLU H 2 31 GLU HG3 . . 4.490 3.723 2.237 3.903 . 0 0 "[ . 1 . 2]" 1
1670 2 31 GLU H 2 32 THR H . . 3.660 2.187 2.095 2.243 . 0 0 "[ . 1 . 2]" 1
1671 2 31 GLU H 2 32 THR HG1 . . 4.720 4.744 4.727 4.756 0.036 9 0 "[ . 1 . 2]" 1
1672 2 31 GLU H 2 33 PRO QD . . 5.350 3.537 3.439 3.653 . 0 0 "[ . 1 . 2]" 1
1673 2 31 GLU H 2 80 TRP HH2 . . 5.500 5.403 5.102 5.520 0.020 14 0 "[ . 1 . 2]" 1
1674 2 31 GLU HA 2 34 ASP QB . . 5.090 3.368 2.897 3.913 . 0 0 "[ . 1 . 2]" 1
1675 2 31 GLU QB 2 32 THR H . . 4.290 2.962 2.838 3.122 . 0 0 "[ . 1 . 2]" 1
1676 2 31 GLU QB 2 35 VAL H . . 4.490 4.243 4.096 4.543 0.053 17 0 "[ . 1 . 2]" 1
1677 2 31 GLU QB 2 80 TRP HH2 . . 4.000 2.140 1.945 2.320 . 0 0 "[ . 1 . 2]" 1
1678 2 31 GLU QB 2 80 TRP HZ2 . . 3.590 2.296 1.967 2.656 . 0 0 "[ . 1 . 2]" 1
1679 2 31 GLU QB 2 80 TRP HZ3 . . 5.320 4.241 4.014 4.501 . 0 0 "[ . 1 . 2]" 1
1680 2 31 GLU HB2 2 32 THR H . . 4.890 3.064 2.916 3.249 . 0 0 "[ . 1 . 2]" 1
1681 2 31 GLU HB2 2 35 VAL H . . 5.320 5.359 5.335 5.382 0.062 11 0 "[ . 1 . 2]" 1
1682 2 31 GLU HB2 2 80 TRP HH2 . . 4.620 3.174 2.815 3.403 . 0 0 "[ . 1 . 2]" 1
1683 2 31 GLU HB2 2 80 TRP HZ2 . . 4.260 2.956 2.464 3.707 . 0 0 "[ . 1 . 2]" 1
1684 2 31 GLU HB3 2 32 THR H . . 4.890 3.934 3.851 4.039 . 0 0 "[ . 1 . 2]" 1
1685 2 31 GLU HB3 2 35 VAL H . . 5.320 4.452 4.255 4.905 . 0 0 "[ . 1 . 2]" 1
1686 2 31 GLU HB3 2 80 TRP HH2 . . 4.620 2.176 1.969 2.369 . 0 0 "[ . 1 . 2]" 1
1687 2 31 GLU HB3 2 80 TRP HZ2 . . 4.260 2.398 2.039 2.731 . 0 0 "[ . 1 . 2]" 1
1688 2 31 GLU QG 2 32 THR H . . 5.310 4.206 3.863 4.345 . 0 0 "[ . 1 . 2]" 1
1689 2 31 GLU QG 2 80 TRP HE1 . . 5.340 3.647 3.183 5.188 . 0 0 "[ . 1 . 2]" 1
1690 2 31 GLU QG 2 80 TRP HH2 . . 4.570 3.811 3.501 4.261 . 0 0 "[ . 1 . 2]" 1
1691 2 31 GLU HG2 2 80 TRP HH2 . . 5.200 4.955 4.588 5.218 0.018 20 0 "[ . 1 . 2]" 1
1692 2 31 GLU HG2 2 80 TRP HZ2 . . 4.580 3.691 3.533 3.775 . 0 0 "[ . 1 . 2]" 1
1693 2 31 GLU HG3 2 80 TRP HH2 . . 5.200 3.984 3.612 5.055 . 0 0 "[ . 1 . 2]" 1
1694 2 31 GLU HG3 2 80 TRP HZ2 . . 4.580 2.204 1.980 4.491 . 0 0 "[ . 1 . 2]" 1
1695 2 32 THR H 2 32 THR HG1 . . 3.570 3.247 3.210 3.328 . 0 0 "[ . 1 . 2]" 1
1696 2 32 THR H 2 33 PRO QD . . 4.050 2.229 2.212 2.241 . 0 0 "[ . 1 . 2]" 1
1697 2 32 THR H 2 33 PRO HG2 . . 4.750 4.233 4.173 4.297 . 0 0 "[ . 1 . 2]" 1
1698 2 32 THR H 2 33 PRO HG3 . . 4.750 4.769 4.748 4.795 0.045 9 0 "[ . 1 . 2]" 1
1699 2 32 THR H 2 34 ASP QB . . 5.500 5.263 4.930 5.564 0.064 17 0 "[ . 1 . 2]" 1
1700 2 32 THR HA 2 35 VAL H . . 4.380 3.445 3.301 3.616 . 0 0 "[ . 1 . 2]" 1
1701 2 32 THR HA 2 35 VAL HB . . 4.660 2.892 2.419 4.282 . 0 0 "[ . 1 . 2]" 1
1702 2 32 THR HA 2 36 MET ME . . 4.730 4.419 4.251 4.517 . 0 0 "[ . 1 . 2]" 1
1703 2 32 THR HA 2 48 PHE QD . . 5.390 4.321 4.142 4.744 . 0 0 "[ . 1 . 2]" 1
1704 2 32 THR HA 2 48 PHE QE . . 5.480 2.941 2.758 3.412 . 0 0 "[ . 1 . 2]" 1
1705 2 32 THR HB 2 33 PRO HD2 . . 4.920 2.402 2.332 2.530 . 0 0 "[ . 1 . 2]" 1
1706 2 32 THR HB 2 33 PRO QD . . 4.300 2.100 2.052 2.148 . 0 0 "[ . 1 . 2]" 1
1707 2 32 THR HB 2 33 PRO HD3 . . 4.920 2.320 2.229 2.425 . 0 0 "[ . 1 . 2]" 1
1708 2 32 THR HB 2 36 MET QG . . 5.340 4.797 4.708 4.962 . 0 0 "[ . 1 . 2]" 1
1709 2 32 THR HG1 2 33 PRO HD2 . . 5.310 4.447 4.388 4.527 . 0 0 "[ . 1 . 2]" 1
1710 2 32 THR HG1 2 33 PRO HD3 . . 5.310 4.603 4.484 4.703 . 0 0 "[ . 1 . 2]" 1
1711 2 33 PRO HA 2 35 VAL H . . 4.970 4.670 4.557 4.826 . 0 0 "[ . 1 . 2]" 1
1712 2 33 PRO HA 2 36 MET H . . 5.320 3.685 3.598 3.869 . 0 0 "[ . 1 . 2]" 1
1713 2 33 PRO HA 2 36 MET QG . . 4.480 3.694 3.481 4.056 . 0 0 "[ . 1 . 2]" 1
1714 2 33 PRO HA 2 37 GLY H . . 5.370 4.248 4.049 4.443 . 0 0 "[ . 1 . 2]" 1
1715 2 33 PRO QB 2 34 ASP H . . 3.740 2.910 2.735 3.008 . 0 0 "[ . 1 . 2]" 1
1716 2 33 PRO HB2 2 34 ASP H . . 4.350 2.984 2.788 3.096 . 0 0 "[ . 1 . 2]" 1
1717 2 33 PRO HB3 2 34 ASP H . . 4.350 4.038 3.940 4.083 . 0 0 "[ . 1 . 2]" 1
1718 2 33 PRO QD 2 34 ASP H . . 3.930 3.154 3.049 3.290 . 0 0 "[ . 1 . 2]" 1
1719 2 33 PRO QD 2 34 ASP QB . . 5.020 4.566 4.308 4.895 . 0 0 "[ . 1 . 2]" 1
1720 2 33 PRO QD 2 35 VAL H . . 4.700 4.478 4.403 4.565 . 0 0 "[ . 1 . 2]" 1
1721 2 33 PRO QG 2 34 ASP H . . 4.010 2.265 2.156 2.342 . 0 0 "[ . 1 . 2]" 1
1722 2 34 ASP H 2 34 ASP QB . . 3.190 2.319 2.237 2.449 . 0 0 "[ . 1 . 2]" 1
1723 2 34 ASP H 2 35 VAL H . . 3.430 2.543 2.460 2.663 . 0 0 "[ . 1 . 2]" 1
1724 2 34 ASP H 2 35 VAL HB . . 5.500 4.789 4.592 5.298 . 0 0 "[ . 1 . 2]" 1
1725 2 34 ASP H 2 36 MET H . . 4.880 3.949 3.879 4.101 . 0 0 "[ . 1 . 2]" 1
1726 2 34 ASP H 2 37 GLY H . . 5.170 4.576 4.462 4.740 . 0 0 "[ . 1 . 2]" 1
1727 2 34 ASP HA 2 36 MET H . . 5.380 4.363 4.230 4.522 . 0 0 "[ . 1 . 2]" 1
1728 2 34 ASP HA 2 37 GLY H . . 4.530 3.251 3.036 3.570 . 0 0 "[ . 1 . 2]" 1
1729 2 34 ASP HA 2 37 GLY QA . . 5.340 3.566 3.301 4.066 . 0 0 "[ . 1 . 2]" 1
1730 2 34 ASP HA 2 38 ALA H . . 5.060 4.266 4.022 4.820 . 0 0 "[ . 1 . 2]" 1
1731 2 34 ASP QB 2 35 VAL H . . 3.630 2.604 2.296 2.769 . 0 0 "[ . 1 . 2]" 1
1732 2 34 ASP QB 2 35 VAL HA . . 5.500 4.125 3.837 4.282 . 0 0 "[ . 1 . 2]" 1
1733 2 34 ASP QB 2 36 MET H . . 5.430 4.731 4.577 4.815 . 0 0 "[ . 1 . 2]" 1
1734 2 34 ASP QB 2 37 GLY H . . 5.450 4.832 4.718 5.058 . 0 0 "[ . 1 . 2]" 1
1735 2 35 VAL H 2 35 VAL HB . . 3.850 2.583 2.469 2.755 . 0 0 "[ . 1 . 2]" 1
1736 2 35 VAL H 2 36 MET H . . 3.780 2.641 2.517 2.736 . 0 0 "[ . 1 . 2]" 1
1737 2 35 VAL H 2 37 GLY H . . 4.720 4.044 3.957 4.213 . 0 0 "[ . 1 . 2]" 1
1738 2 35 VAL H 2 38 ALA MB . . 4.920 4.825 4.690 4.958 0.038 14 0 "[ . 1 . 2]" 1
1739 2 35 VAL H 2 48 PHE QE . . 5.250 5.017 4.819 5.283 0.033 18 0 "[ . 1 . 2]" 1
1740 2 35 VAL H 2 48 PHE HZ . . 5.500 5.238 5.089 5.555 0.055 20 0 "[ . 1 . 2]" 1
1741 2 35 VAL H 2 80 TRP HZ3 . . 5.240 5.256 5.026 5.317 0.077 19 0 "[ . 1 . 2]" 1
1742 2 35 VAL HA 2 38 ALA H . . 4.210 3.323 3.041 3.572 . 0 0 "[ . 1 . 2]" 1
1743 2 35 VAL HA 2 38 ALA MB . . 3.930 2.687 2.450 2.859 . 0 0 "[ . 1 . 2]" 1
1744 2 35 VAL HA 2 71 MET ME . . 4.620 2.966 2.548 3.492 . 0 0 "[ . 1 . 2]" 1
1745 2 35 VAL HA 2 74 TYR QE . . 4.360 3.234 2.515 3.876 . 0 0 "[ . 1 . 2]" 1
1746 2 35 VAL HB 2 36 MET H . . 4.100 2.800 2.365 4.121 0.021 5 0 "[ . 1 . 2]" 1
1747 2 35 VAL HB 2 38 ALA MB . . 5.500 4.908 4.329 5.169 . 0 0 "[ . 1 . 2]" 1
1748 2 35 VAL HB 2 48 PHE HZ . . 5.500 3.289 2.658 5.063 . 0 0 "[ . 1 . 2]" 1
1749 2 35 VAL HB 2 58 PHE QD . . 5.090 4.727 4.506 5.142 0.052 20 0 "[ . 1 . 2]" 1
1750 2 35 VAL HB 2 80 TRP HZ3 . . 5.500 4.164 2.436 4.783 . 0 0 "[ . 1 . 2]" 1
1751 2 36 MET H 2 36 MET QB . . 3.490 2.410 2.371 2.435 . 0 0 "[ . 1 . 2]" 1
1752 2 36 MET H 2 36 MET QG . . 3.860 2.399 2.346 2.520 . 0 0 "[ . 1 . 2]" 1
1753 2 36 MET H 2 37 GLY H . . 3.980 2.684 2.651 2.741 . 0 0 "[ . 1 . 2]" 1
1754 2 36 MET H 2 38 ALA H . . 5.260 4.155 4.064 4.270 . 0 0 "[ . 1 . 2]" 1
1755 2 36 MET H 2 38 ALA MB . . 5.270 4.813 4.760 4.911 . 0 0 "[ . 1 . 2]" 1
1756 2 36 MET H 2 48 PHE QE . . 5.360 4.198 4.006 4.370 . 0 0 "[ . 1 . 2]" 1
1757 2 36 MET H 2 48 PHE HZ . . 5.400 3.626 3.476 3.814 . 0 0 "[ . 1 . 2]" 1
1758 2 36 MET HA 2 36 MET ME . . 4.730 4.509 4.483 4.534 . 0 0 "[ . 1 . 2]" 1
1759 2 36 MET HA 2 39 LEU H . . 3.890 3.350 3.260 3.434 . 0 0 "[ . 1 . 2]" 1
1760 2 36 MET HA 2 40 THR H . . 5.030 3.998 3.874 4.149 . 0 0 "[ . 1 . 2]" 1
1761 2 36 MET HA 2 48 PHE QE . . 5.500 3.522 3.278 3.694 . 0 0 "[ . 1 . 2]" 1
1762 2 36 MET HA 2 48 PHE HZ . . 5.500 3.066 2.642 3.270 . 0 0 "[ . 1 . 2]" 1
1763 2 36 MET QB 2 37 GLY H . . 3.780 2.705 2.614 2.798 . 0 0 "[ . 1 . 2]" 1
1764 2 36 MET QB 2 38 ALA H . . 5.340 4.781 4.632 4.890 . 0 0 "[ . 1 . 2]" 1
1765 2 36 MET HB2 2 37 GLY H . . 4.390 2.790 2.686 2.887 . 0 0 "[ . 1 . 2]" 1
1766 2 36 MET HB3 2 37 GLY H . . 4.390 3.641 3.514 3.753 . 0 0 "[ . 1 . 2]" 1
1767 2 36 MET ME 2 36 MET HG2 . . 3.870 2.442 2.420 2.474 . 0 0 "[ . 1 . 2]" 1
1768 2 36 MET ME 2 36 MET QG . . 3.400 2.222 2.210 2.233 . 0 0 "[ . 1 . 2]" 1
1769 2 36 MET ME 2 36 MET HG3 . . 3.870 2.557 2.530 2.580 . 0 0 "[ . 1 . 2]" 1
1770 2 36 MET ME 2 48 PHE H . . 5.100 4.277 4.041 4.654 . 0 0 "[ . 1 . 2]" 1
1771 2 36 MET ME 2 48 PHE HA . . 5.500 4.963 4.727 5.119 . 0 0 "[ . 1 . 2]" 1
1772 2 36 MET ME 2 48 PHE HB2 . . 4.820 2.910 2.545 3.122 . 0 0 "[ . 1 . 2]" 1
1773 2 36 MET ME 2 48 PHE QB . . 4.210 2.775 2.439 2.948 . 0 0 "[ . 1 . 2]" 1
1774 2 36 MET ME 2 48 PHE HB3 . . 4.820 3.502 3.125 3.621 . 0 0 "[ . 1 . 2]" 1
1775 2 36 MET ME 2 48 PHE QD . . 3.870 2.809 2.698 2.945 . 0 0 "[ . 1 . 2]" 1
1776 2 36 MET ME 2 48 PHE QE . . 4.140 3.208 3.127 3.447 . 0 0 "[ . 1 . 2]" 1
1777 2 36 MET ME 2 48 PHE HZ . . 5.250 3.929 3.823 4.325 . 0 0 "[ . 1 . 2]" 1
1778 2 36 MET QG 2 37 GLY H . . 4.430 4.219 4.157 4.289 . 0 0 "[ . 1 . 2]" 1
1779 2 36 MET QG 2 48 PHE QD . . 4.590 3.658 3.362 3.811 . 0 0 "[ . 1 . 2]" 1
1780 2 36 MET QG 2 48 PHE QE . . 4.530 2.637 2.549 2.733 . 0 0 "[ . 1 . 2]" 1
1781 2 36 MET QG 2 58 PHE QB . . 5.180 4.885 4.697 5.060 . 0 0 "[ . 1 . 2]" 1
1782 2 36 MET HG2 2 48 PHE QD . . 5.260 3.917 3.609 4.058 . 0 0 "[ . 1 . 2]" 1
1783 2 36 MET HG2 2 48 PHE QE . . 5.290 2.766 2.642 2.866 . 0 0 "[ . 1 . 2]" 1
1784 2 36 MET HG2 2 48 PHE HZ . . 5.500 3.061 2.921 3.241 . 0 0 "[ . 1 . 2]" 1
1785 2 36 MET HG3 2 48 PHE QD . . 5.260 4.390 4.012 4.622 . 0 0 "[ . 1 . 2]" 1
1786 2 36 MET HG3 2 48 PHE QE . . 5.290 3.333 3.203 3.451 . 0 0 "[ . 1 . 2]" 1
1787 2 36 MET HG3 2 48 PHE HZ . . 5.500 3.019 2.826 3.272 . 0 0 "[ . 1 . 2]" 1
1788 2 37 GLY H 2 38 ALA H . . 3.530 2.692 2.581 2.759 . 0 0 "[ . 1 . 2]" 1
1789 2 37 GLY H 2 38 ALA MB . . 4.550 4.355 4.234 4.412 . 0 0 "[ . 1 . 2]" 1
1790 2 37 GLY H 2 39 LEU H . . 5.500 4.265 4.147 4.475 . 0 0 "[ . 1 . 2]" 1
1791 2 37 GLY QA 2 38 ALA H . . 3.120 2.680 2.621 2.745 . 0 0 "[ . 1 . 2]" 1
1792 2 37 GLY QA 2 39 LEU H . . 4.870 4.212 4.067 4.326 . 0 0 "[ . 1 . 2]" 1
1793 2 37 GLY QA 2 40 THR H . . 3.950 3.427 3.347 3.531 . 0 0 "[ . 1 . 2]" 1
1794 2 37 GLY QA 2 40 THR HB . . 4.340 2.665 2.481 2.810 . 0 0 "[ . 1 . 2]" 1
1795 2 37 GLY QA 2 41 SER H . . 3.940 3.914 3.832 3.975 0.035 7 0 "[ . 1 . 2]" 1
1796 2 37 GLY HA2 2 40 THR HB . . 5.040 2.693 2.506 2.845 . 0 0 "[ . 1 . 2]" 1
1797 2 37 GLY HA3 2 40 THR HB . . 5.040 4.247 3.996 4.384 . 0 0 "[ . 1 . 2]" 1
1798 2 38 ALA H 2 38 ALA MB . . 3.110 2.245 2.219 2.268 . 0 0 "[ . 1 . 2]" 1
1799 2 38 ALA H 2 40 THR H . . 4.690 4.054 3.871 4.283 . 0 0 "[ . 1 . 2]" 1
1800 2 38 ALA H 2 41 SER H . . 5.500 4.666 4.592 4.799 . 0 0 "[ . 1 . 2]" 1
1801 2 38 ALA H 2 71 MET ME . . 4.600 4.521 4.381 4.609 0.009 20 0 "[ . 1 . 2]" 1
1802 2 38 ALA H 2 74 TYR QE . . 5.370 5.196 4.697 5.410 0.040 19 0 "[ . 1 . 2]" 1
1803 2 38 ALA HA 2 40 THR H . . 5.500 4.351 4.177 4.635 . 0 0 "[ . 1 . 2]" 1
1804 2 38 ALA HA 2 41 SER H . . 5.140 3.430 3.305 3.521 . 0 0 "[ . 1 . 2]" 1
1805 2 38 ALA HA 2 41 SER QB . . 4.340 2.718 2.402 3.027 . 0 0 "[ . 1 . 2]" 1
1806 2 38 ALA HA 2 42 LEU H . . 5.500 3.979 3.834 4.229 . 0 0 "[ . 1 . 2]" 1
1807 2 38 ALA HA 2 42 LEU QB . . 5.340 4.815 4.649 4.942 . 0 0 "[ . 1 . 2]" 1
1808 2 38 ALA HA 2 42 LEU HG . . 5.500 3.594 3.428 3.767 . 0 0 "[ . 1 . 2]" 1
1809 2 38 ALA MB 2 39 LEU H . . 3.690 2.377 2.312 2.513 . 0 0 "[ . 1 . 2]" 1
1810 2 38 ALA MB 2 40 THR H . . 5.370 4.403 4.293 4.558 . 0 0 "[ . 1 . 2]" 1
1811 2 38 ALA MB 2 41 SER H . . 4.920 4.560 4.441 4.648 . 0 0 "[ . 1 . 2]" 1
1812 2 38 ALA MB 2 41 SER QB . . 4.760 4.053 3.724 4.300 . 0 0 "[ . 1 . 2]" 1
1813 2 38 ALA MB 2 42 LEU H . . 5.500 4.497 4.365 4.701 . 0 0 "[ . 1 . 2]" 1
1814 2 38 ALA MB 2 42 LEU HG . . 3.980 3.542 3.376 3.780 . 0 0 "[ . 1 . 2]" 1
1815 2 38 ALA MB 2 44 MET ME . . 5.500 5.516 5.277 5.571 0.071 3 0 "[ . 1 . 2]" 1
1816 2 38 ALA MB 2 71 MET ME . . 3.150 2.376 2.202 2.552 . 0 0 "[ . 1 . 2]" 1
1817 2 38 ALA MB 2 74 TYR QB . . 5.160 3.668 3.277 3.903 . 0 0 "[ . 1 . 2]" 1
1818 2 38 ALA MB 2 74 TYR QD . . 4.040 3.477 3.133 3.731 . 0 0 "[ . 1 . 2]" 1
1819 2 38 ALA MB 2 74 TYR QE . . 3.990 3.397 2.857 3.697 . 0 0 "[ . 1 . 2]" 1
1820 2 39 LEU H 2 39 LEU QB . . 3.660 2.434 2.351 2.544 . 0 0 "[ . 1 . 2]" 1
1821 2 39 LEU H 2 39 LEU HG . . 4.010 2.301 2.084 3.458 . 0 0 "[ . 1 . 2]" 1
1822 2 39 LEU H 2 40 THR H . . 4.170 2.685 2.552 2.747 . 0 0 "[ . 1 . 2]" 1
1823 2 39 LEU H 2 40 THR HA . . 5.260 5.275 5.193 5.297 0.037 18 0 "[ . 1 . 2]" 1
1824 2 39 LEU H 2 40 THR HB . . 5.500 4.876 4.707 4.982 . 0 0 "[ . 1 . 2]" 1
1825 2 39 LEU H 2 41 SER H . . 4.640 4.172 3.903 4.388 . 0 0 "[ . 1 . 2]" 1
1826 2 39 LEU H 2 42 LEU H . . 5.140 4.660 4.555 4.731 . 0 0 "[ . 1 . 2]" 1
1827 2 39 LEU H 2 44 MET QB . . 5.340 5.068 4.895 5.250 . 0 0 "[ . 1 . 2]" 1
1828 2 39 LEU H 2 45 THR H . . 5.500 5.509 5.324 5.619 0.119 5 0 "[ . 1 . 2]" 1
1829 2 39 LEU H 2 71 MET ME . . 4.140 3.670 3.427 3.948 . 0 0 "[ . 1 . 2]" 1
1830 2 39 LEU HA 2 40 THR HA . . 5.340 4.749 4.675 4.851 . 0 0 "[ . 1 . 2]" 1
1831 2 39 LEU HA 2 42 LEU H . . 4.400 3.528 3.173 3.648 . 0 0 "[ . 1 . 2]" 1
1832 2 39 LEU HA 2 42 LEU QB . . 4.900 2.771 2.349 2.961 . 0 0 "[ . 1 . 2]" 1
1833 2 39 LEU HA 2 42 LEU HG . . 4.340 4.335 3.957 4.379 0.039 15 0 "[ . 1 . 2]" 1
1834 2 39 LEU HA 2 43 LYS H . . 5.410 4.489 4.078 4.670 . 0 0 "[ . 1 . 2]" 1
1835 2 39 LEU HA 2 44 MET H . . 4.850 3.302 3.179 3.435 . 0 0 "[ . 1 . 2]" 1
1836 2 39 LEU HA 2 44 MET HB2 . . 5.340 2.605 2.469 2.913 . 0 0 "[ . 1 . 2]" 1
1837 2 39 LEU HA 2 44 MET HB3 . . 5.340 4.274 4.115 4.580 . 0 0 "[ . 1 . 2]" 1
1838 2 39 LEU HA 2 44 MET QG . . 5.340 3.451 3.186 3.761 . 0 0 "[ . 1 . 2]" 1
1839 2 39 LEU HA 2 71 MET ME . . 4.400 4.141 3.813 4.428 0.028 10 0 "[ . 1 . 2]" 1
1840 2 39 LEU QB 2 40 THR H . . 3.920 2.531 2.328 2.810 . 0 0 "[ . 1 . 2]" 1
1841 2 39 LEU QB 2 43 LYS H . . 5.340 5.119 4.777 5.298 . 0 0 "[ . 1 . 2]" 1
1842 2 39 LEU QB 2 43 LYS HA . . 5.340 5.292 4.815 5.438 0.098 11 0 "[ . 1 . 2]" 1
1843 2 39 LEU QB 2 44 MET H . . 4.760 3.622 3.054 3.733 . 0 0 "[ . 1 . 2]" 1
1844 2 39 LEU QB 2 44 MET QB . . 4.440 2.802 2.275 3.090 . 0 0 "[ . 1 . 2]" 1
1845 2 39 LEU QB 2 45 THR H . . 4.280 2.177 1.895 2.319 . 0 0 "[ . 1 . 2]" 1
1846 2 39 LEU HG 2 44 MET QB . . 4.370 4.314 2.746 4.424 0.054 10 0 "[ . 1 . 2]" 1
1847 2 39 LEU HG 2 71 MET ME . . 3.520 2.639 2.220 3.216 . 0 0 "[ . 1 . 2]" 1
1848 2 40 THR H 2 40 THR HB . . 4.200 2.491 2.429 2.555 . 0 0 "[ . 1 . 2]" 1
1849 2 40 THR H 2 40 THR HG1 . . 4.760 2.217 2.085 2.574 . 0 0 "[ . 1 . 2]" 1
1850 2 40 THR H 2 41 SER H . . 3.760 2.618 2.502 2.753 . 0 0 "[ . 1 . 2]" 1
1851 2 40 THR H 2 42 LEU H . . 4.880 3.983 3.841 4.186 . 0 0 "[ . 1 . 2]" 1
1852 2 40 THR H 2 43 LYS H . . 5.500 4.744 4.579 4.949 . 0 0 "[ . 1 . 2]" 1
1853 2 40 THR H 2 44 MET H . . 4.970 4.960 4.844 5.028 0.058 19 0 "[ . 1 . 2]" 1
1854 2 40 THR HA 2 42 LEU H . . 5.500 4.394 4.192 4.561 . 0 0 "[ . 1 . 2]" 1
1855 2 40 THR HA 2 43 LYS H . . 5.420 3.553 3.357 3.747 . 0 0 "[ . 1 . 2]" 1
1856 2 40 THR HA 2 44 MET H . . 5.080 4.086 3.830 4.314 . 0 0 "[ . 1 . 2]" 1
1857 2 40 THR HB 2 41 SER H . . 4.460 2.599 2.375 2.838 . 0 0 "[ . 1 . 2]" 1
1858 2 40 THR HG1 2 41 SER H . . 5.430 4.113 3.937 4.352 . 0 0 "[ . 1 . 2]" 1
1859 2 41 SER H 2 41 SER QB . . 3.210 2.316 2.191 2.491 . 0 0 "[ . 1 . 2]" 1
1860 2 41 SER H 2 42 LEU H . . 3.670 2.504 2.452 2.564 . 0 0 "[ . 1 . 2]" 1
1861 2 41 SER H 2 42 LEU QB . . 4.460 4.498 4.475 4.519 0.059 11 0 "[ . 1 . 2]" 1
1862 2 41 SER H 2 43 LYS H . . 4.490 3.763 3.616 4.029 . 0 0 "[ . 1 . 2]" 1
1863 2 41 SER QB 2 42 LEU H . . 4.040 2.644 2.492 2.822 . 0 0 "[ . 1 . 2]" 1
1864 2 42 LEU H 2 42 LEU HB2 . . 3.830 2.365 2.327 2.400 . 0 0 "[ . 1 . 2]" 1
1865 2 42 LEU H 2 42 LEU QB . . 3.260 2.334 2.299 2.367 . 0 0 "[ . 1 . 2]" 1
1866 2 42 LEU H 2 42 LEU HB3 . . 3.830 3.586 3.565 3.604 . 0 0 "[ . 1 . 2]" 1
1867 2 42 LEU H 2 42 LEU HG . . 4.620 2.512 2.452 2.590 . 0 0 "[ . 1 . 2]" 1
1868 2 42 LEU H 2 43 LYS H . . 3.530 2.457 2.355 2.567 . 0 0 "[ . 1 . 2]" 1
1869 2 42 LEU H 2 43 LYS HA . . 5.290 4.593 4.393 4.785 . 0 0 "[ . 1 . 2]" 1
1870 2 42 LEU H 2 44 MET H . . 4.490 3.902 3.681 4.190 . 0 0 "[ . 1 . 2]" 1
1871 2 42 LEU HA 2 42 LEU HG . . 4.200 3.123 3.077 3.159 . 0 0 "[ . 1 . 2]" 1
1872 2 42 LEU HA 2 43 LYS QG . . 5.180 3.882 3.378 4.311 . 0 0 "[ . 1 . 2]" 1
1873 2 42 LEU HA 2 67 GLN HE21 . . 5.500 3.883 2.301 5.543 0.043 8 0 "[ . 1 . 2]" 1
1874 2 42 LEU QB 2 43 LYS H . . 4.040 3.377 3.239 3.473 . 0 0 "[ . 1 . 2]" 1
1875 2 42 LEU QB 2 44 MET H . . 5.340 3.248 2.949 3.500 . 0 0 "[ . 1 . 2]" 1
1876 2 42 LEU QB 2 67 GLN QB . . 5.340 2.535 2.141 3.055 . 0 0 "[ . 1 . 2]" 1
1877 2 42 LEU QB 2 67 GLN QG . . 5.180 4.053 3.178 4.455 . 0 0 "[ . 1 . 2]" 1
1878 2 43 LYS H 2 43 LYS QD . . 4.930 3.641 2.496 4.639 . 0 0 "[ . 1 . 2]" 1
1879 2 43 LYS H 2 43 LYS QE . . 5.130 3.980 2.133 5.010 . 0 0 "[ . 1 . 2]" 1
1880 2 43 LYS H 2 43 LYS QG . . 3.860 2.725 2.530 3.123 . 0 0 "[ . 1 . 2]" 1
1881 2 43 LYS HA 2 43 LYS QD . . 4.020 2.836 1.840 4.100 0.080 3 0 "[ . 1 . 2]" 1
1882 2 43 LYS HA 2 43 LYS QE . . 4.960 3.027 1.799 3.820 . 0 0 "[ . 1 . 2]" 1
1883 2 43 LYS HA 2 45 THR H . . 5.500 4.335 3.970 4.890 . 0 0 "[ . 1 . 2]" 1
1884 2 43 LYS HA 2 67 GLN HE21 . . 5.500 5.361 4.750 5.616 0.116 3 0 "[ . 1 . 2]" 1
1885 2 43 LYS QB 2 43 LYS QE . . 3.770 2.614 1.826 3.822 0.052 9 0 "[ . 1 . 2]" 1
1886 2 43 LYS QB 2 44 MET H . . 4.310 3.779 3.689 3.867 . 0 0 "[ . 1 . 2]" 1
1887 2 43 LYS QB 2 67 GLN HE21 . . 5.500 2.883 1.992 3.667 . 0 0 "[ . 1 . 2]" 1
1888 2 43 LYS QE 2 44 MET H . . 5.500 5.244 4.144 5.668 0.168 3 0 "[ . 1 . 2]" 1
1889 2 44 MET H 2 44 MET QB . . 3.600 2.448 2.398 2.494 . 0 0 "[ . 1 . 2]" 1
1890 2 44 MET H 2 44 MET ME . . 4.810 4.784 4.698 4.846 0.036 14 0 "[ . 1 . 2]" 1
1891 2 44 MET H 2 44 MET HG2 . . 4.890 3.731 3.571 3.968 . 0 0 "[ . 1 . 2]" 1
1892 2 44 MET H 2 44 MET QG . . 4.170 2.497 2.340 2.774 . 0 0 "[ . 1 . 2]" 1
1893 2 44 MET H 2 44 MET HG3 . . 4.890 2.537 2.372 2.832 . 0 0 "[ . 1 . 2]" 1
1894 2 44 MET H 2 45 THR H . . 4.740 2.531 2.263 2.933 . 0 0 "[ . 1 . 2]" 1
1895 2 44 MET HA 2 44 MET ME . . 4.360 3.908 3.833 3.985 . 0 0 "[ . 1 . 2]" 1
1896 2 44 MET QB 2 45 THR H . . 3.910 2.255 2.091 2.344 . 0 0 "[ . 1 . 2]" 1
1897 2 44 MET QB 2 45 THR HA . . 5.000 4.104 3.994 4.196 . 0 0 "[ . 1 . 2]" 1
1898 2 44 MET QB 2 46 ALA MB . . 4.430 3.931 3.788 4.138 . 0 0 "[ . 1 . 2]" 1
1899 2 44 MET QB 2 60 SER QB . . 5.180 3.323 2.363 3.764 . 0 0 "[ . 1 . 2]" 1
1900 2 44 MET HB2 2 44 MET ME . . 3.650 2.874 2.747 2.943 . 0 0 "[ . 1 . 2]" 1
1901 2 44 MET HB2 2 45 THR H . . 4.540 2.296 2.128 2.389 . 0 0 "[ . 1 . 2]" 1
1902 2 44 MET HB3 2 44 MET ME . . 3.650 2.042 1.986 2.077 . 0 0 "[ . 1 . 2]" 1
1903 2 44 MET HB3 2 45 THR H . . 4.540 3.296 3.065 3.401 . 0 0 "[ . 1 . 2]" 1
1904 2 44 MET ME 2 44 MET HG2 . . 3.920 2.534 2.500 2.577 . 0 0 "[ . 1 . 2]" 1
1905 2 44 MET ME 2 44 MET QG . . 3.390 2.468 2.439 2.503 . 0 0 "[ . 1 . 2]" 1
1906 2 44 MET ME 2 44 MET HG3 . . 3.920 3.404 3.394 3.415 . 0 0 "[ . 1 . 2]" 1
1907 2 44 MET ME 2 45 THR H . . 4.720 4.606 4.298 4.744 0.024 7 0 "[ . 1 . 2]" 1
1908 2 44 MET ME 2 58 PHE QE . . 4.650 3.471 3.127 3.860 . 0 0 "[ . 1 . 2]" 1
1909 2 44 MET ME 2 60 SER H . . 5.500 4.796 4.567 5.168 . 0 0 "[ . 1 . 2]" 1
1910 2 44 MET ME 2 60 SER HB2 . . 4.260 2.687 2.107 2.996 . 0 0 "[ . 1 . 2]" 1
1911 2 44 MET ME 2 60 SER HB3 . . 4.260 2.871 2.520 3.239 . 0 0 "[ . 1 . 2]" 1
1912 2 44 MET ME 2 63 THR HB . . 4.480 3.979 3.623 4.422 . 0 0 "[ . 1 . 2]" 1
1913 2 44 MET ME 2 63 THR HG1 . . 5.360 4.932 4.268 5.325 . 0 0 "[ . 1 . 2]" 1
1914 2 44 MET QG 2 45 THR H . . 4.610 3.961 3.856 4.057 . 0 0 "[ . 1 . 2]" 1
1915 2 44 MET HG2 2 63 THR HB . . 5.500 3.166 2.648 3.762 . 0 0 "[ . 1 . 2]" 1
1916 2 44 MET HG3 2 63 THR HB . . 5.500 4.626 4.176 5.313 . 0 0 "[ . 1 . 2]" 1
1917 2 45 THR H 2 46 ALA H . . 5.500 3.991 3.825 4.253 . 0 0 "[ . 1 . 2]" 1
1918 2 45 THR H 2 60 SER QB . . 5.340 5.268 4.667 5.407 0.067 3 0 "[ . 1 . 2]" 1
1919 2 45 THR HA 2 46 ALA MB . . 5.030 3.864 3.784 3.911 . 0 0 "[ . 1 . 2]" 1
1920 2 45 THR HB 2 46 ALA H . . 4.090 4.124 4.017 4.170 0.080 9 0 "[ . 1 . 2]" 1
1921 2 46 ALA H 2 47 ASP H . . 5.330 4.335 4.294 4.387 . 0 0 "[ . 1 . 2]" 1
1922 2 46 ALA H 2 58 PHE QB . . 5.340 4.948 4.770 5.251 . 0 0 "[ . 1 . 2]" 1
1923 2 46 ALA H 2 60 SER QB . . 5.340 5.364 5.185 5.408 0.068 16 0 "[ . 1 . 2]" 1
1924 2 46 ALA HA 2 60 SER HB2 . . 5.430 4.178 4.003 4.679 . 0 0 "[ . 1 . 2]" 1
1925 2 46 ALA HA 2 60 SER QB . . 4.660 3.959 3.766 4.112 . 0 0 "[ . 1 . 2]" 1
1926 2 46 ALA HA 2 60 SER HB3 . . 5.430 5.000 4.189 5.316 . 0 0 "[ . 1 . 2]" 1
1927 2 46 ALA MB 2 47 ASP H . . 3.710 2.399 2.305 2.590 . 0 0 "[ . 1 . 2]" 1
1928 2 46 ALA MB 2 47 ASP HA . . 5.080 4.100 3.945 4.163 . 0 0 "[ . 1 . 2]" 1
1929 2 46 ALA MB 2 47 ASP QB . . 5.340 4.237 4.011 4.642 . 0 0 "[ . 1 . 2]" 1
1930 2 46 ALA MB 2 48 PHE QE . . 4.440 2.472 2.193 2.734 . 0 0 "[ . 1 . 2]" 1
1931 2 46 ALA MB 2 58 PHE HA . . 5.500 3.684 3.449 3.920 . 0 0 "[ . 1 . 2]" 1
1932 2 46 ALA MB 2 58 PHE QB . . 4.430 1.948 1.854 2.085 . 0 0 "[ . 1 . 2]" 1
1933 2 46 ALA MB 2 58 PHE QD . . 5.500 2.157 2.057 2.379 . 0 0 "[ . 1 . 2]" 1
1934 2 46 ALA MB 2 59 ILE H . . 4.190 2.878 2.625 3.050 . 0 0 "[ . 1 . 2]" 1
1935 2 46 ALA MB 2 59 ILE HB . . 5.070 4.450 4.065 4.675 . 0 0 "[ . 1 . 2]" 1
1936 2 46 ALA MB 2 60 SER H . . 5.500 3.535 3.464 3.674 . 0 0 "[ . 1 . 2]" 1
1937 2 46 ALA MB 2 60 SER HB2 . . 4.840 2.602 2.317 3.485 . 0 0 "[ . 1 . 2]" 1
1938 2 46 ALA MB 2 60 SER QB . . 4.220 2.462 2.298 2.668 . 0 0 "[ . 1 . 2]" 1
1939 2 46 ALA MB 2 60 SER HB3 . . 4.840 3.680 2.597 4.047 . 0 0 "[ . 1 . 2]" 1
1940 2 47 ASP H 2 48 PHE H . . 5.340 4.293 4.243 4.370 . 0 0 "[ . 1 . 2]" 1
1941 2 47 ASP H 2 58 PHE HA . . 5.500 4.207 4.032 4.419 . 0 0 "[ . 1 . 2]" 1
1942 2 47 ASP H 2 58 PHE QB . . 5.240 3.556 3.470 3.897 . 0 0 "[ . 1 . 2]" 1
1943 2 47 ASP H 2 58 PHE QD . . 5.240 4.449 4.244 4.767 . 0 0 "[ . 1 . 2]" 1
1944 2 47 ASP H 2 59 ILE H . . 4.650 2.653 2.519 2.793 . 0 0 "[ . 1 . 2]" 1
1945 2 47 ASP H 2 59 ILE HA . . 5.500 4.681 4.534 4.829 . 0 0 "[ . 1 . 2]" 1
1946 2 47 ASP H 2 59 ILE HB . . 4.800 3.471 2.844 3.786 . 0 0 "[ . 1 . 2]" 1
1947 2 47 ASP H 2 60 SER H . . 5.500 4.854 4.649 5.111 . 0 0 "[ . 1 . 2]" 1
1948 2 47 ASP H 2 60 SER QB . . 5.340 5.065 4.939 5.344 0.004 2 0 "[ . 1 . 2]" 1
1949 2 47 ASP HA 2 48 PHE QD . . 4.860 3.417 2.882 3.577 . 0 0 "[ . 1 . 2]" 1
1950 2 47 ASP HA 2 59 ILE H . . 5.500 4.559 4.408 4.651 . 0 0 "[ . 1 . 2]" 1
1951 2 47 ASP QB 2 48 PHE H . . 5.170 3.371 3.026 3.917 . 0 0 "[ . 1 . 2]" 1
1952 2 47 ASP QB 2 59 ILE H . . 5.040 3.170 2.846 4.583 . 0 0 "[ . 1 . 2]" 1
1953 2 47 ASP QB 2 59 ILE HB . . 5.270 3.080 2.433 4.497 . 0 0 "[ . 1 . 2]" 1
1954 2 48 PHE H 2 48 PHE QD . . 4.450 2.473 2.316 2.697 . 0 0 "[ . 1 . 2]" 1
1955 2 48 PHE H 2 48 PHE QE . . 5.500 4.728 4.573 4.944 . 0 0 "[ . 1 . 2]" 1
1956 2 48 PHE H 2 49 ILE H . . 5.090 4.226 4.185 4.370 . 0 0 "[ . 1 . 2]" 1
1957 2 48 PHE H 2 49 ILE HA . . 5.360 4.860 4.760 4.987 . 0 0 "[ . 1 . 2]" 1
1958 2 48 PHE H 2 58 PHE HA . . 5.500 4.415 4.287 4.562 . 0 0 "[ . 1 . 2]" 1
1959 2 48 PHE H 2 58 PHE QB . . 5.340 4.276 4.116 4.610 . 0 0 "[ . 1 . 2]" 1
1960 2 48 PHE H 2 59 ILE H . . 5.500 4.882 4.716 5.002 . 0 0 "[ . 1 . 2]" 1
1961 2 48 PHE HA 2 57 TYR H . . 5.250 3.881 3.608 4.374 . 0 0 "[ . 1 . 2]" 1
1962 2 48 PHE HA 2 58 PHE H . . 5.500 4.440 4.343 4.583 . 0 0 "[ . 1 . 2]" 1
1963 2 48 PHE HA 2 58 PHE HA . . 4.700 2.205 2.138 2.289 . 0 0 "[ . 1 . 2]" 1
1964 2 48 PHE HA 2 58 PHE HB2 . . 5.500 3.599 3.363 3.921 . 0 0 "[ . 1 . 2]" 1
1965 2 48 PHE HA 2 58 PHE HB3 . . 5.500 3.100 2.870 3.460 . 0 0 "[ . 1 . 2]" 1
1966 2 48 PHE HA 2 59 ILE H . . 4.770 3.825 3.654 3.890 . 0 0 "[ . 1 . 2]" 1
1967 2 48 PHE QB 2 49 ILE H . . 4.420 3.427 3.209 3.477 . 0 0 "[ . 1 . 2]" 1
1968 2 48 PHE QB 2 56 THR HB . . 5.340 4.121 3.968 4.499 . 0 0 "[ . 1 . 2]" 1
1969 2 48 PHE QB 2 58 PHE HA . . 5.340 4.221 4.088 4.300 . 0 0 "[ . 1 . 2]" 1
1970 2 48 PHE HB2 2 49 ILE H . . 5.280 4.367 4.286 4.394 . 0 0 "[ . 1 . 2]" 1
1971 2 48 PHE HB3 2 49 ILE H . . 5.280 3.583 3.315 3.645 . 0 0 "[ . 1 . 2]" 1
1972 2 48 PHE QD 2 49 ILE H . . 5.080 4.589 4.325 4.677 . 0 0 "[ . 1 . 2]" 1
1973 2 48 PHE QD 2 57 TYR H . . 5.480 4.465 4.217 4.677 . 0 0 "[ . 1 . 2]" 1
1974 2 48 PHE QD 2 58 PHE HA . . 5.260 4.111 3.922 4.240 . 0 0 "[ . 1 . 2]" 1
1975 2 48 PHE QD 2 58 PHE QB . . 4.840 2.921 2.779 3.043 . 0 0 "[ . 1 . 2]" 1
1976 2 48 PHE QD 2 59 ILE H . . 5.500 5.020 4.814 5.176 . 0 0 "[ . 1 . 2]" 1
1977 2 49 ILE H 2 49 ILE HB . . 3.690 2.543 2.460 2.610 . 0 0 "[ . 1 . 2]" 1
1978 2 49 ILE H 2 50 LEU H . . 4.780 4.318 4.288 4.353 . 0 0 "[ . 1 . 2]" 1
1979 2 49 ILE H 2 56 THR HA . . 5.050 4.677 4.470 4.792 . 0 0 "[ . 1 . 2]" 1
1980 2 49 ILE H 2 56 THR HB . . 5.500 5.450 5.325 5.510 0.010 14 0 "[ . 1 . 2]" 1
1981 2 49 ILE H 2 56 THR HG1 . . 4.710 3.088 2.985 3.182 . 0 0 "[ . 1 . 2]" 1
1982 2 49 ILE H 2 57 TYR H . . 4.050 2.914 2.768 3.020 . 0 0 "[ . 1 . 2]" 1
1983 2 49 ILE H 2 57 TYR HA . . 5.500 4.917 4.821 4.999 . 0 0 "[ . 1 . 2]" 1
1984 2 49 ILE H 2 57 TYR QB . . 5.340 4.805 4.740 4.889 . 0 0 "[ . 1 . 2]" 1
1985 2 49 ILE H 2 57 TYR QD . . 4.960 4.126 4.011 4.260 . 0 0 "[ . 1 . 2]" 1
1986 2 49 ILE H 2 57 TYR QE . . 5.430 4.420 4.238 4.574 . 0 0 "[ . 1 . 2]" 1
1987 2 49 ILE H 2 58 PHE H . . 5.500 4.996 4.879 5.131 . 0 0 "[ . 1 . 2]" 1
1988 2 49 ILE H 2 58 PHE HA . . 4.460 3.198 3.070 3.418 . 0 0 "[ . 1 . 2]" 1
1989 2 49 ILE HA 2 50 LEU H . . 3.570 2.047 2.023 2.094 . 0 0 "[ . 1 . 2]" 1
1990 2 49 ILE HA 2 50 LEU HA . . 5.320 4.327 4.288 4.362 . 0 0 "[ . 1 . 2]" 1
1991 2 49 ILE HA 2 50 LEU QB . . 5.330 3.957 3.909 4.021 . 0 0 "[ . 1 . 2]" 1
1992 2 49 ILE HB 2 56 THR HA . . 5.440 5.023 4.788 5.266 . 0 0 "[ . 1 . 2]" 1
1993 2 49 ILE HB 2 57 TYR H . . 4.260 3.810 3.659 4.059 . 0 0 "[ . 1 . 2]" 1
1994 2 49 ILE HB 2 57 TYR QE . . 5.390 2.772 2.460 3.116 . 0 0 "[ . 1 . 2]" 1
1995 2 50 LEU H 2 50 LEU HB2 . . 4.190 2.723 2.598 2.829 . 0 0 "[ . 1 . 2]" 1
1996 2 50 LEU H 2 50 LEU QB . . 3.640 2.263 2.217 2.320 . 0 0 "[ . 1 . 2]" 1
1997 2 50 LEU H 2 50 LEU HB3 . . 4.190 2.419 2.371 2.473 . 0 0 "[ . 1 . 2]" 1
1998 2 50 LEU H 2 50 LEU HG . . 5.000 4.615 4.438 4.740 . 0 0 "[ . 1 . 2]" 1
1999 2 50 LEU H 2 51 GLN H . . 5.090 4.391 4.274 4.476 . 0 0 "[ . 1 . 2]" 1
2000 2 50 LEU H 2 51 GLN HA . . 5.350 5.076 4.997 5.125 . 0 0 "[ . 1 . 2]" 1
2001 2 50 LEU H 2 56 THR HA . . 5.500 4.809 4.687 4.900 . 0 0 "[ . 1 . 2]" 1
2002 2 50 LEU H 2 56 THR HB . . 5.500 4.708 4.603 4.810 . 0 0 "[ . 1 . 2]" 1
2003 2 50 LEU H 2 56 THR HG1 . . 5.500 3.517 3.444 3.585 . 0 0 "[ . 1 . 2]" 1
2004 2 50 LEU H 2 57 TYR H . . 5.500 5.142 5.062 5.282 . 0 0 "[ . 1 . 2]" 1
2005 2 50 LEU H 2 57 TYR QE . . 5.500 5.557 5.520 5.584 0.084 1 0 "[ . 1 . 2]" 1
2006 2 50 LEU HA 2 56 THR HB . . 5.010 2.538 2.480 2.584 . 0 0 "[ . 1 . 2]" 1
2007 2 50 LEU QB 2 51 GLN H . . 4.430 3.703 3.637 3.736 . 0 0 "[ . 1 . 2]" 1
2008 2 50 LEU HG 2 51 GLN H . . 4.610 4.168 2.970 4.705 0.095 5 0 "[ . 1 . 2]" 1
2009 2 51 GLN H 2 51 GLN HB2 . . 3.920 2.623 2.489 2.697 . 0 0 "[ . 1 . 2]" 1
2010 2 51 GLN H 2 51 GLN QB . . 3.440 2.285 2.234 2.340 . 0 0 "[ . 1 . 2]" 1
2011 2 51 GLN H 2 51 GLN HB3 . . 3.920 2.518 2.468 2.597 . 0 0 "[ . 1 . 2]" 1
2012 2 51 GLN H 2 52 SER H . . 5.480 4.516 4.474 4.561 . 0 0 "[ . 1 . 2]" 1
2013 2 51 GLN H 2 54 GLY H . . 5.310 3.975 3.726 4.253 . 0 0 "[ . 1 . 2]" 1
2014 2 51 GLN H 2 54 GLY QA . . 5.340 4.582 4.089 4.956 . 0 0 "[ . 1 . 2]" 1
2015 2 51 GLN H 2 55 LEU H . . 4.710 3.289 2.993 3.740 . 0 0 "[ . 1 . 2]" 1
2016 2 51 GLN H 2 56 THR H . . 5.500 4.766 4.704 4.917 . 0 0 "[ . 1 . 2]" 1
2017 2 51 GLN H 2 56 THR HA . . 4.620 2.941 2.778 3.168 . 0 0 "[ . 1 . 2]" 1
2018 2 51 GLN H 2 56 THR HB . . 5.180 3.858 3.723 3.993 . 0 0 "[ . 1 . 2]" 1
2019 2 51 GLN H 2 57 TYR QD . . 5.500 4.652 4.401 4.849 . 0 0 "[ . 1 . 2]" 1
2020 2 51 GLN H 2 57 TYR QE . . 5.230 4.968 4.595 5.256 0.026 1 0 "[ . 1 . 2]" 1
2021 2 51 GLN QB 2 53 ASP H . . 3.620 2.838 2.655 3.027 . 0 0 "[ . 1 . 2]" 1
2022 2 51 GLN QB 2 54 GLY H . . 4.550 3.195 2.931 3.415 . 0 0 "[ . 1 . 2]" 1
2023 2 51 GLN QB 2 55 LEU H . . 3.880 2.667 2.315 2.850 . 0 0 "[ . 1 . 2]" 1
2024 2 51 GLN QB 2 56 THR HA . . 5.340 3.682 3.521 3.926 . 0 0 "[ . 1 . 2]" 1
2025 2 51 GLN QB 2 57 TYR QD . . 4.380 3.567 3.225 4.001 . 0 0 "[ . 1 . 2]" 1
2026 2 51 GLN QB 2 57 TYR QE . . 4.420 3.453 2.982 4.032 . 0 0 "[ . 1 . 2]" 1
2027 2 51 GLN HB2 2 55 LEU H . . 4.440 4.202 3.812 4.458 0.018 9 0 "[ . 1 . 2]" 1
2028 2 51 GLN HB3 2 55 LEU H . . 4.440 2.697 2.335 2.885 . 0 0 "[ . 1 . 2]" 1
2029 2 51 GLN HE21 2 52 SER H . . 5.500 5.603 5.536 5.649 0.149 10 0 "[ . 1 . 2]" 1
2030 2 51 GLN HE21 2 53 ASP H . . 4.740 4.349 4.227 4.563 . 0 0 "[ . 1 . 2]" 1
2031 2 51 GLN HE21 2 54 GLY H . . 5.450 5.474 5.212 5.558 0.108 8 0 "[ . 1 . 2]" 1
2032 2 51 GLN HE21 2 55 LEU H . . 4.780 4.672 4.305 4.806 0.026 11 0 "[ . 1 . 2]" 1
2033 2 51 GLN HE21 2 55 LEU HB2 . . 5.500 3.410 3.039 3.798 . 0 0 "[ . 1 . 2]" 1
2034 2 51 GLN HE21 2 55 LEU HB3 . . 5.500 4.911 4.435 5.367 . 0 0 "[ . 1 . 2]" 1
2035 2 51 GLN HE21 2 55 LEU HG . . 5.220 4.572 3.768 5.028 . 0 0 "[ . 1 . 2]" 1
2036 2 51 GLN QG 2 52 SER H . . 5.030 1.867 1.686 1.949 . 0 0 "[ . 1 . 2]" 1
2037 2 51 GLN QG 2 53 ASP H . . 3.550 2.113 1.852 2.607 . 0 0 "[ . 1 . 2]" 1
2038 2 51 GLN QG 2 54 GLY H . . 4.280 4.010 3.862 4.205 . 0 0 "[ . 1 . 2]" 1
2039 2 52 SER H 2 53 ASP H . . 4.190 2.570 2.452 2.738 . 0 0 "[ . 1 . 2]" 1
2040 2 52 SER H 2 54 GLY H . . 5.130 4.179 4.104 4.276 . 0 0 "[ . 1 . 2]" 1
2041 2 52 SER H 2 55 LEU H . . 5.500 5.359 5.188 5.504 0.004 15 0 "[ . 1 . 2]" 1
2042 2 52 SER HA 2 54 GLY H . . 5.480 3.672 3.511 3.878 . 0 0 "[ . 1 . 2]" 1
2043 2 53 ASP H 2 53 ASP QB . . 3.620 2.301 2.213 2.530 . 0 0 "[ . 1 . 2]" 1
2044 2 53 ASP H 2 54 GLY H . . 3.480 2.456 2.170 2.622 . 0 0 "[ . 1 . 2]" 1
2045 2 53 ASP QB 2 54 GLY H . . 4.470 3.212 3.051 3.628 . 0 0 "[ . 1 . 2]" 1
2046 2 53 ASP QB 2 55 LEU H . . 5.340 3.378 2.854 4.026 . 0 0 "[ . 1 . 2]" 1
2047 2 55 LEU H 2 55 LEU QB . . 3.570 2.580 2.448 2.641 . 0 0 "[ . 1 . 2]" 1
2048 2 55 LEU H 2 55 LEU HG . . 3.630 3.038 2.706 3.219 . 0 0 "[ . 1 . 2]" 1
2049 2 55 LEU H 2 56 THR H . . 4.720 4.447 4.369 4.566 . 0 0 "[ . 1 . 2]" 1
2050 2 55 LEU QB 2 56 THR H . . 3.610 2.536 2.358 2.680 . 0 0 "[ . 1 . 2]" 1
2051 2 55 LEU HB2 2 56 THR H . . 4.260 3.682 3.564 3.781 . 0 0 "[ . 1 . 2]" 1
2052 2 55 LEU HB3 2 56 THR H . . 4.260 2.584 2.392 2.741 . 0 0 "[ . 1 . 2]" 1
2053 2 55 LEU HG 2 56 THR H . . 5.240 5.041 4.954 5.121 . 0 0 "[ . 1 . 2]" 1
2054 2 56 THR H 2 56 THR HG1 . . 5.280 4.486 4.454 4.527 . 0 0 "[ . 1 . 2]" 1
2055 2 56 THR H 2 57 TYR H . . 4.540 4.391 4.362 4.439 . 0 0 "[ . 1 . 2]" 1
2056 2 56 THR HA 2 57 TYR QD . . 5.110 3.127 2.909 3.320 . 0 0 "[ . 1 . 2]" 1
2057 2 56 THR HB 2 57 TYR H . . 4.410 3.909 3.816 3.979 . 0 0 "[ . 1 . 2]" 1
2058 2 56 THR HG1 2 57 TYR H . . 3.620 2.214 2.127 2.309 . 0 0 "[ . 1 . 2]" 1
2059 2 57 TYR H 2 57 TYR QD . . 4.390 2.615 2.430 2.871 . 0 0 "[ . 1 . 2]" 1
2060 2 57 TYR H 2 57 TYR QE . . 5.140 4.200 4.090 4.305 . 0 0 "[ . 1 . 2]" 1
2061 2 57 TYR H 2 58 PHE H . . 5.200 4.329 4.280 4.410 . 0 0 "[ . 1 . 2]" 1
2062 2 57 TYR HB2 2 58 PHE H . . 4.240 2.798 2.624 2.916 . 0 0 "[ . 1 . 2]" 1
2063 2 57 TYR HB3 2 58 PHE H . . 4.240 4.028 3.946 4.100 . 0 0 "[ . 1 . 2]" 1
2064 2 57 TYR QD 2 58 PHE H . . 4.300 3.707 3.379 3.931 . 0 0 "[ . 1 . 2]" 1
2065 2 57 TYR QD 2 59 ILE HG12 . . 4.320 4.144 3.247 4.360 0.040 12 0 "[ . 1 . 2]" 1
2066 2 57 TYR QE 2 59 ILE HB . . 5.500 5.493 5.372 5.562 0.062 18 0 "[ . 1 . 2]" 1
2067 2 57 TYR QE 2 59 ILE HG12 . . 4.070 3.374 2.794 3.693 . 0 0 "[ . 1 . 2]" 1
2068 2 58 PHE H 2 58 PHE QD . . 4.110 2.774 2.644 2.926 . 0 0 "[ . 1 . 2]" 1
2069 2 58 PHE H 2 59 ILE H . . 5.500 4.391 4.354 4.415 . 0 0 "[ . 1 . 2]" 1
2070 2 58 PHE QB 2 59 ILE H . . 4.120 2.718 2.475 2.846 . 0 0 "[ . 1 . 2]" 1
2071 2 58 PHE QD 2 59 ILE H . . 4.650 3.593 3.316 3.761 . 0 0 "[ . 1 . 2]" 1
2072 2 58 PHE QD 2 59 ILE HA . . 4.870 3.443 3.211 3.707 . 0 0 "[ . 1 . 2]" 1
2073 2 58 PHE QD 2 60 SER H . . 5.060 3.067 2.929 3.313 . 0 0 "[ . 1 . 2]" 1
2074 2 58 PHE QD 2 60 SER HB2 . . 4.980 2.948 2.565 4.492 . 0 0 "[ . 1 . 2]" 1
2075 2 58 PHE QD 2 60 SER QB . . 4.310 2.662 2.475 2.953 . 0 0 "[ . 1 . 2]" 1
2076 2 58 PHE QD 2 60 SER HB3 . . 4.980 3.766 2.493 4.228 . 0 0 "[ . 1 . 2]" 1
2077 2 58 PHE QD 2 71 MET ME . . 4.570 4.225 4.003 4.437 . 0 0 "[ . 1 . 2]" 1
2078 2 58 PHE QD 2 71 MET QG . . 5.500 5.120 4.801 5.513 0.013 15 0 "[ . 1 . 2]" 1
2079 2 58 PHE QD 2 80 TRP HZ3 . . 5.450 4.720 4.327 5.210 . 0 0 "[ . 1 . 2]" 1
2080 2 58 PHE QE 2 60 SER HB2 . . 4.610 2.920 2.456 4.499 . 0 0 "[ . 1 . 2]" 1
2081 2 58 PHE QE 2 60 SER HB3 . . 4.610 3.437 2.538 3.859 . 0 0 "[ . 1 . 2]" 1
2082 2 58 PHE QE 2 71 MET ME . . 3.930 2.950 2.818 3.125 . 0 0 "[ . 1 . 2]" 1
2083 2 58 PHE QE 2 71 MET QG . . 5.230 3.376 3.049 3.914 . 0 0 "[ . 1 . 2]" 1
2084 2 58 PHE QE 2 80 TRP HZ3 . . 4.890 3.211 2.823 3.505 . 0 0 "[ . 1 . 2]" 1
2085 2 58 PHE HZ 2 71 MET ME . . 4.090 2.393 2.249 2.535 . 0 0 "[ . 1 . 2]" 1
2086 2 59 ILE H 2 59 ILE HB . . 4.210 2.832 2.590 2.942 . 0 0 "[ . 1 . 2]" 1
2087 2 59 ILE H 2 60 SER H . . 5.480 4.194 4.118 4.238 . 0 0 "[ . 1 . 2]" 1
2088 2 59 ILE HB 2 60 SER H . . 5.130 4.091 4.022 4.166 . 0 0 "[ . 1 . 2]" 1
2089 2 61 LYS HA 2 61 LYS HE2 . . 5.500 4.530 3.034 5.342 . 0 0 "[ . 1 . 2]" 1
2090 2 61 LYS HA 2 61 LYS HE3 . . 5.500 4.579 1.831 5.496 . 0 0 "[ . 1 . 2]" 1
2091 2 61 LYS QB 2 61 LYS QE . . 4.280 3.124 1.930 3.880 . 0 0 "[ . 1 . 2]" 1
2092 2 61 LYS QB 2 62 PRO QD . . 4.070 2.222 1.998 2.671 . 0 0 "[ . 1 . 2]" 1
2093 2 61 LYS HB2 2 61 LYS HE2 . . 5.500 4.040 2.174 4.793 . 0 0 "[ . 1 . 2]" 1
2094 2 61 LYS HB2 2 61 LYS HE3 . . 5.500 4.120 2.108 5.480 . 0 0 "[ . 1 . 2]" 1
2095 2 61 LYS HB3 2 61 LYS HE2 . . 5.500 4.045 1.997 4.836 . 0 0 "[ . 1 . 2]" 1
2096 2 61 LYS HB3 2 61 LYS HE3 . . 5.500 4.287 2.802 5.523 0.023 18 0 "[ . 1 . 2]" 1
2097 2 63 THR H 2 64 SER H . . 4.950 4.211 4.150 4.284 . 0 0 "[ . 1 . 2]" 1
2098 2 63 THR HB 2 64 SER H . . 5.430 3.562 3.492 3.670 . 0 0 "[ . 1 . 2]" 1
2099 2 63 THR HB 2 67 GLN QB . . 5.500 4.029 3.785 4.223 . 0 0 "[ . 1 . 2]" 1
2100 2 63 THR HB 2 68 LEU H . . 5.500 5.496 5.326 5.559 0.059 19 0 "[ . 1 . 2]" 1
2101 2 63 THR HG1 2 64 SER H . . 4.010 2.743 2.518 2.975 . 0 0 "[ . 1 . 2]" 1
2102 2 64 SER H 2 64 SER QB . . 3.480 2.658 2.472 2.796 . 0 0 "[ . 1 . 2]" 1
2103 2 64 SER H 2 65 ASP H . . 5.080 4.606 4.548 4.655 . 0 0 "[ . 1 . 2]" 1
2104 2 64 SER H 2 67 GLN H . . 4.490 3.944 3.697 4.206 . 0 0 "[ . 1 . 2]" 1
2105 2 64 SER H 2 67 GLN QB . . 4.190 2.939 2.645 3.349 . 0 0 "[ . 1 . 2]" 1
2106 2 64 SER QB 2 66 ALA H . . 3.400 2.883 2.553 3.141 . 0 0 "[ . 1 . 2]" 1
2107 2 64 SER QB 2 67 GLN H . . 4.270 3.383 2.652 3.739 . 0 0 "[ . 1 . 2]" 1
2108 2 64 SER HB2 2 65 ASP H . . 5.250 2.969 2.502 3.839 . 0 0 "[ . 1 . 2]" 1
2109 2 64 SER HB3 2 65 ASP H . . 5.250 3.650 2.664 4.019 . 0 0 "[ . 1 . 2]" 1
2110 2 65 ASP H 2 65 ASP QB . . 3.700 2.494 2.226 2.811 . 0 0 "[ . 1 . 2]" 1
2111 2 65 ASP H 2 66 ALA H . . 3.880 2.629 2.449 2.933 . 0 0 "[ . 1 . 2]" 1
2112 2 65 ASP H 2 66 ALA MB . . 4.980 4.290 4.126 4.554 . 0 0 "[ . 1 . 2]" 1
2113 2 65 ASP H 2 67 GLN H . . 5.340 4.311 4.023 4.602 . 0 0 "[ . 1 . 2]" 1
2114 2 65 ASP HA 2 68 LEU HA . . 5.500 4.975 4.604 5.471 . 0 0 "[ . 1 . 2]" 1
2115 2 65 ASP HA 2 68 LEU QB . . 4.220 2.450 1.785 3.940 . 0 0 "[ . 1 . 2]" 1
2116 2 65 ASP HA 2 68 LEU HG . . 4.370 3.270 1.769 4.490 0.120 4 0 "[ . 1 . 2]" 1
2117 2 65 ASP HA 2 69 LYS H . . 4.670 3.638 3.434 3.762 . 0 0 "[ . 1 . 2]" 1
2118 2 65 ASP QB 2 66 ALA H . . 3.490 3.278 2.583 3.569 0.079 19 0 "[ . 1 . 2]" 1
2119 2 65 ASP QB 2 66 ALA HA . . 5.160 4.414 4.218 4.586 . 0 0 "[ . 1 . 2]" 1
2120 2 65 ASP QB 2 68 LEU H . . 5.500 4.918 4.626 5.149 . 0 0 "[ . 1 . 2]" 1
2121 2 65 ASP QB 2 68 LEU QB . . 5.070 4.004 3.081 5.175 0.105 8 0 "[ . 1 . 2]" 1
2122 2 65 ASP QB 2 69 LYS H . . 5.400 4.498 3.834 5.142 . 0 0 "[ . 1 . 2]" 1
2123 2 66 ALA H 2 66 ALA MB . . 3.160 2.247 2.220 2.290 . 0 0 "[ . 1 . 2]" 1
2124 2 66 ALA H 2 67 GLN H . . 3.730 2.761 2.655 2.907 . 0 0 "[ . 1 . 2]" 1
2125 2 66 ALA H 2 67 GLN QG . . 5.130 4.340 4.019 4.675 . 0 0 "[ . 1 . 2]" 1
2126 2 66 ALA H 2 68 LEU H . . 4.640 4.162 3.921 4.424 . 0 0 "[ . 1 . 2]" 1
2127 2 66 ALA H 2 69 LYS QB . . 4.960 5.054 4.983 5.105 0.145 20 0 "[ . 1 . 2]" 1
2128 2 66 ALA HA 2 69 LYS H . . 4.280 3.844 3.656 4.050 . 0 0 "[ . 1 . 2]" 1
2129 2 66 ALA HA 2 69 LYS QB . . 4.020 3.630 3.380 3.921 . 0 0 "[ . 1 . 2]" 1
2130 2 66 ALA HA 2 69 LYS QD . . 4.750 2.442 1.897 4.002 . 0 0 "[ . 1 . 2]" 1
2131 2 66 ALA HA 2 70 ALA H . . 5.430 4.940 4.586 5.280 . 0 0 "[ . 1 . 2]" 1
2132 2 66 ALA MB 2 67 GLN H . . 3.840 2.586 2.372 2.761 . 0 0 "[ . 1 . 2]" 1
2133 2 66 ALA MB 2 67 GLN HA . . 4.670 3.904 3.807 3.994 . 0 0 "[ . 1 . 2]" 1
2134 2 66 ALA MB 2 67 GLN QG . . 4.390 3.062 2.721 3.360 . 0 0 "[ . 1 . 2]" 1
2135 2 67 GLN H 2 67 GLN QG . . 4.090 2.231 2.108 2.407 . 0 0 "[ . 1 . 2]" 1
2136 2 67 GLN H 2 68 LEU H . . 4.270 2.434 2.344 2.546 . 0 0 "[ . 1 . 2]" 1
2137 2 67 GLN H 2 68 LEU HA . . 5.500 5.078 5.015 5.149 . 0 0 "[ . 1 . 2]" 1
2138 2 67 GLN H 2 69 LYS H . . 5.150 4.015 3.871 4.109 . 0 0 "[ . 1 . 2]" 1
2139 2 67 GLN HA 2 69 LYS QG . . 4.060 4.099 3.892 4.161 0.101 7 0 "[ . 1 . 2]" 1
2140 2 67 GLN HA 2 70 ALA H . . 4.580 3.969 3.592 4.242 . 0 0 "[ . 1 . 2]" 1
2141 2 67 GLN HA 2 70 ALA MB . . 4.180 3.615 3.101 4.184 0.004 11 0 "[ . 1 . 2]" 1
2142 2 67 GLN QB 2 68 LEU H . . 5.020 2.331 2.014 2.713 . 0 0 "[ . 1 . 2]" 1
2143 2 67 GLN QB 2 69 LYS H . . 5.500 4.636 4.459 4.913 . 0 0 "[ . 1 . 2]" 1
2144 2 68 LEU H 2 68 LEU QB . . 3.610 2.229 2.068 2.604 . 0 0 "[ . 1 . 2]" 1
2145 2 68 LEU H 2 68 LEU HG . . 5.500 3.777 2.203 4.467 . 0 0 "[ . 1 . 2]" 1
2146 2 68 LEU H 2 69 LYS H . . 4.130 2.797 2.647 2.941 . 0 0 "[ . 1 . 2]" 1
2147 2 68 LEU HA 2 71 MET H . . 4.600 3.563 2.982 3.891 . 0 0 "[ . 1 . 2]" 1
2148 2 68 LEU HA 2 71 MET QG . . 5.500 4.532 3.919 4.822 . 0 0 "[ . 1 . 2]" 1
2149 2 68 LEU HA 2 72 LYS H . . 5.500 4.259 3.856 4.772 . 0 0 "[ . 1 . 2]" 1
2150 2 68 LEU QB 2 69 LYS H . . 3.540 2.782 2.238 3.585 0.045 10 0 "[ . 1 . 2]" 1
2151 2 68 LEU HG 2 69 LYS H . . 5.500 3.416 2.288 4.925 . 0 0 "[ . 1 . 2]" 1
2152 2 69 LYS H 2 69 LYS QB . . 3.150 2.362 2.294 2.464 . 0 0 "[ . 1 . 2]" 1
2153 2 69 LYS H 2 69 LYS QD . . 5.500 3.904 3.591 4.352 . 0 0 "[ . 1 . 2]" 1
2154 2 69 LYS H 2 69 LYS QE . . 5.400 4.529 3.538 4.978 . 0 0 "[ . 1 . 2]" 1
2155 2 69 LYS H 2 69 LYS QG . . 4.270 2.322 2.245 2.465 . 0 0 "[ . 1 . 2]" 1
2156 2 69 LYS H 2 70 ALA H . . 3.840 2.776 2.658 2.916 . 0 0 "[ . 1 . 2]" 1
2157 2 69 LYS H 2 70 ALA MB . . 5.120 4.460 4.327 4.602 . 0 0 "[ . 1 . 2]" 1
2158 2 69 LYS H 2 71 MET H . . 5.040 4.254 4.017 4.386 . 0 0 "[ . 1 . 2]" 1
2159 2 69 LYS H 2 72 LYS H . . 5.310 4.932 4.739 5.196 . 0 0 "[ . 1 . 2]" 1
2160 2 69 LYS HA 2 69 LYS QD . . 4.790 4.487 3.827 4.589 . 0 0 "[ . 1 . 2]" 1
2161 2 69 LYS HA 2 69 LYS QE . . 4.970 4.281 4.022 4.985 0.015 20 0 "[ . 1 . 2]" 1
2162 2 69 LYS HA 2 69 LYS QG . . 3.590 3.354 3.311 3.452 . 0 0 "[ . 1 . 2]" 1
2163 2 69 LYS HA 2 71 MET H . . 5.500 4.362 4.110 4.538 . 0 0 "[ . 1 . 2]" 1
2164 2 69 LYS HA 2 72 LYS H . . 4.510 3.663 3.273 4.026 . 0 0 "[ . 1 . 2]" 1
2165 2 69 LYS HA 2 72 LYS HB2 . . 5.240 4.562 3.168 5.212 . 0 0 "[ . 1 . 2]" 1
2166 2 69 LYS HA 2 72 LYS QB . . 4.380 4.051 3.122 4.441 0.061 7 0 "[ . 1 . 2]" 1
2167 2 69 LYS HA 2 72 LYS HB3 . . 5.240 4.728 4.137 5.243 0.003 11 0 "[ . 1 . 2]" 1
2168 2 69 LYS HA 2 72 LYS HD2 . . 4.790 3.930 2.496 4.759 . 0 0 "[ . 1 . 2]" 1
2169 2 69 LYS HA 2 72 LYS QD . . 4.220 2.900 2.011 3.793 . 0 0 "[ . 1 . 2]" 1
2170 2 69 LYS HA 2 72 LYS HD3 . . 4.790 3.197 2.024 4.535 . 0 0 "[ . 1 . 2]" 1
2171 2 69 LYS HA 2 72 LYS QE . . 4.570 2.317 1.790 3.166 . 0 0 "[ . 1 . 2]" 1
2172 2 69 LYS HA 2 72 LYS HG2 . . 5.500 3.262 2.170 4.948 . 0 0 "[ . 1 . 2]" 1
2173 2 69 LYS HA 2 72 LYS QG . . 4.850 2.353 1.975 3.284 . 0 0 "[ . 1 . 2]" 1
2174 2 69 LYS HA 2 72 LYS HG3 . . 5.500 2.509 2.009 3.573 . 0 0 "[ . 1 . 2]" 1
2175 2 69 LYS HA 2 73 GLU H . . 4.780 4.263 3.794 4.718 . 0 0 "[ . 1 . 2]" 1
2176 2 69 LYS QB 2 69 LYS QD . . 3.430 2.340 2.286 2.615 . 0 0 "[ . 1 . 2]" 1
2177 2 69 LYS QB 2 70 ALA H . . 3.580 3.491 3.396 3.556 . 0 0 "[ . 1 . 2]" 1
2178 2 69 LYS QB 2 72 LYS H . . 5.500 5.145 4.808 5.385 . 0 0 "[ . 1 . 2]" 1
2179 2 69 LYS QE 2 69 LYS QG . . 3.430 2.410 2.290 2.792 . 0 0 "[ . 1 . 2]" 1
2180 2 69 LYS QG 2 70 ALA H . . 4.400 2.240 2.055 2.390 . 0 0 "[ . 1 . 2]" 1
2181 2 69 LYS QG 2 72 LYS QE . . 4.650 4.499 4.087 4.763 0.113 10 0 "[ . 1 . 2]" 1
2182 2 69 LYS QG 2 73 GLU QB . . 5.180 5.130 4.837 5.314 0.134 12 0 "[ . 1 . 2]" 1
2183 2 69 LYS QG 2 73 GLU QG . . 4.620 4.371 3.951 4.668 0.048 12 0 "[ . 1 . 2]" 1
2184 2 70 ALA H 2 70 ALA MB . . 3.270 2.244 2.217 2.272 . 0 0 "[ . 1 . 2]" 1
2185 2 70 ALA H 2 71 MET H . . 3.660 2.558 2.444 2.670 . 0 0 "[ . 1 . 2]" 1
2186 2 70 ALA H 2 72 LYS H . . 4.950 4.159 3.934 4.315 . 0 0 "[ . 1 . 2]" 1
2187 2 70 ALA H 2 73 GLU H . . 5.060 4.808 4.653 5.037 . 0 0 "[ . 1 . 2]" 1
2188 2 70 ALA HA 2 72 LYS H . . 5.460 4.512 4.228 4.699 . 0 0 "[ . 1 . 2]" 1
2189 2 70 ALA HA 2 73 GLU H . . 4.650 3.545 3.361 3.670 . 0 0 "[ . 1 . 2]" 1
2190 2 70 ALA HA 2 73 GLU HB2 . . 4.490 2.832 2.548 4.481 . 0 0 "[ . 1 . 2]" 1
2191 2 70 ALA HA 2 73 GLU HB3 . . 4.490 4.305 3.873 4.495 0.005 2 0 "[ . 1 . 2]" 1
2192 2 70 ALA HA 2 73 GLU HG2 . . 5.080 4.264 1.818 5.032 . 0 0 "[ . 1 . 2]" 1
2193 2 70 ALA HA 2 73 GLU QG . . 4.440 3.201 1.801 3.585 . 0 0 "[ . 1 . 2]" 1
2194 2 70 ALA HA 2 73 GLU HG3 . . 5.080 3.413 2.918 3.670 . 0 0 "[ . 1 . 2]" 1
2195 2 70 ALA HA 2 74 TYR H . . 5.390 4.327 4.142 4.529 . 0 0 "[ . 1 . 2]" 1
2196 2 70 ALA MB 2 71 MET H . . 3.610 2.725 2.607 2.847 . 0 0 "[ . 1 . 2]" 1
2197 2 70 ALA MB 2 71 MET HA . . 5.340 3.803 3.739 3.859 . 0 0 "[ . 1 . 2]" 1
2198 2 70 ALA MB 2 72 LYS H . . 5.320 4.654 4.503 4.768 . 0 0 "[ . 1 . 2]" 1
2199 2 70 ALA MB 2 73 GLU H . . 5.190 4.675 4.569 4.742 . 0 0 "[ . 1 . 2]" 1
2200 2 70 ALA MB 2 73 GLU HB2 . . 5.400 4.135 3.836 5.483 0.083 1 0 "[ . 1 . 2]" 1
2201 2 70 ALA MB 2 73 GLU QB . . 4.620 3.988 3.731 4.752 0.132 1 0 "[ . 1 . 2]" 1
2202 2 70 ALA MB 2 73 GLU HB3 . . 5.400 5.356 5.092 5.438 0.038 18 0 "[ . 1 . 2]" 1
2203 2 70 ALA MB 2 73 GLU QG . . 4.840 4.522 3.170 4.871 0.031 10 0 "[ . 1 . 2]" 1
2204 2 70 ALA MB 2 74 TYR H . . 4.890 4.696 4.545 4.797 . 0 0 "[ . 1 . 2]" 1
2205 2 71 MET H 2 71 MET QB . . 3.390 2.156 2.047 2.193 . 0 0 "[ . 1 . 2]" 1
2206 2 71 MET H 2 71 MET ME . . 5.230 5.437 5.381 5.463 0.233 6 0 "[ . 1 . 2]" 1
2207 2 71 MET H 2 71 MET QG . . 4.650 3.896 3.710 3.937 . 0 0 "[ . 1 . 2]" 1
2208 2 71 MET H 2 72 LYS H . . 3.820 2.567 2.445 2.671 . 0 0 "[ . 1 . 2]" 1
2209 2 71 MET H 2 73 GLU H . . 4.830 4.037 3.875 4.247 . 0 0 "[ . 1 . 2]" 1
2210 2 71 MET H 2 74 TYR H . . 5.500 4.572 4.417 4.743 . 0 0 "[ . 1 . 2]" 1
2211 2 71 MET H 2 74 TYR QB . . 5.340 4.628 4.458 4.741 . 0 0 "[ . 1 . 2]" 1
2212 2 71 MET HA 2 71 MET ME . . 4.570 3.556 3.349 3.671 . 0 0 "[ . 1 . 2]" 1
2213 2 71 MET HA 2 73 GLU H . . 5.410 4.344 4.211 4.439 . 0 0 "[ . 1 . 2]" 1
2214 2 71 MET HA 2 74 TYR H . . 4.850 3.179 3.015 3.274 . 0 0 "[ . 1 . 2]" 1
2215 2 71 MET HA 2 74 TYR HB2 . . 5.500 3.080 2.722 3.462 . 0 0 "[ . 1 . 2]" 1
2216 2 71 MET HA 2 74 TYR QB . . 4.840 2.380 2.228 2.498 . 0 0 "[ . 1 . 2]" 1
2217 2 71 MET HA 2 74 TYR HB3 . . 5.500 2.484 2.339 2.646 . 0 0 "[ . 1 . 2]" 1
2218 2 71 MET HA 2 74 TYR QD . . 4.950 4.136 3.772 4.362 . 0 0 "[ . 1 . 2]" 1
2219 2 71 MET HA 2 75 LEU H . . 5.230 4.224 4.014 4.640 . 0 0 "[ . 1 . 2]" 1
2220 2 71 MET QB 2 71 MET ME . . 4.020 3.591 3.565 3.621 . 0 0 "[ . 1 . 2]" 1
2221 2 71 MET QB 2 72 LYS H . . 3.550 2.553 2.389 2.730 . 0 0 "[ . 1 . 2]" 1
2222 2 71 MET ME 2 74 TYR H . . 5.070 5.119 5.021 5.163 0.093 2 0 "[ . 1 . 2]" 1
2223 2 71 MET ME 2 74 TYR HB2 . . 5.090 4.371 4.108 4.621 . 0 0 "[ . 1 . 2]" 1
2224 2 71 MET ME 2 74 TYR QB . . 4.390 3.225 3.092 3.393 . 0 0 "[ . 1 . 2]" 1
2225 2 71 MET ME 2 74 TYR HB3 . . 5.090 3.321 3.166 3.491 . 0 0 "[ . 1 . 2]" 1
2226 2 71 MET ME 2 74 TYR QD . . 3.690 2.618 2.087 3.260 . 0 0 "[ . 1 . 2]" 1
2227 2 71 MET ME 2 74 TYR QE . . 4.150 3.187 2.590 3.687 . 0 0 "[ . 1 . 2]" 1
2228 2 71 MET ME 2 75 LEU H . . 4.740 4.165 3.816 4.339 . 0 0 "[ . 1 . 2]" 1
2229 2 71 MET QG 2 72 LYS H . . 5.170 3.829 3.577 4.567 . 0 0 "[ . 1 . 2]" 1
2230 2 72 LYS H 2 72 LYS QB . . 3.470 2.771 2.507 2.954 . 0 0 "[ . 1 . 2]" 1
2231 2 72 LYS H 2 72 LYS HD2 . . 5.500 4.385 3.342 4.828 . 0 0 "[ . 1 . 2]" 1
2232 2 72 LYS H 2 72 LYS HD3 . . 5.500 4.471 4.216 4.674 . 0 0 "[ . 1 . 2]" 1
2233 2 72 LYS H 2 72 LYS QE . . 4.810 3.888 3.422 4.270 . 0 0 "[ . 1 . 2]" 1
2234 2 72 LYS H 2 72 LYS HG2 . . 4.350 3.019 2.198 3.624 . 0 0 "[ . 1 . 2]" 1
2235 2 72 LYS H 2 72 LYS QG . . 3.550 2.021 1.845 2.182 . 0 0 "[ . 1 . 2]" 1
2236 2 72 LYS H 2 72 LYS HG3 . . 4.350 2.131 1.888 3.255 . 0 0 "[ . 1 . 2]" 1
2237 2 72 LYS H 2 73 GLU H . . 3.710 2.672 2.553 2.770 . 0 0 "[ . 1 . 2]" 1
2238 2 72 LYS H 2 73 GLU HA . . 5.500 5.262 5.194 5.354 . 0 0 "[ . 1 . 2]" 1
2239 2 72 LYS H 2 74 TYR H . . 5.160 3.966 3.799 4.127 . 0 0 "[ . 1 . 2]" 1
2240 2 72 LYS H 2 75 LEU H . . 5.500 4.839 4.658 5.153 . 0 0 "[ . 1 . 2]" 1
2241 2 72 LYS H 2 82 TYR QE . . 5.500 5.453 5.195 5.536 0.036 12 0 "[ . 1 . 2]" 1
2242 2 72 LYS HA 2 72 LYS HD2 . . 5.500 4.412 3.883 4.808 . 0 0 "[ . 1 . 2]" 1
2243 2 72 LYS HA 2 72 LYS HD3 . . 5.500 5.001 4.372 5.512 0.012 8 0 "[ . 1 . 2]" 1
2244 2 72 LYS HA 2 72 LYS QE . . 5.050 4.556 3.720 5.206 0.156 1 0 "[ . 1 . 2]" 1
2245 2 72 LYS HA 2 75 LEU H . . 5.060 3.263 2.849 3.733 . 0 0 "[ . 1 . 2]" 1
2246 2 72 LYS HA 2 75 LEU QB . . 4.040 2.935 2.568 3.567 . 0 0 "[ . 1 . 2]" 1
2247 2 72 LYS HA 2 75 LEU HG . . 5.500 3.214 2.589 5.437 . 0 0 "[ . 1 . 2]" 1
2248 2 72 LYS HA 2 76 ASP H . . 4.950 4.128 3.885 4.433 . 0 0 "[ . 1 . 2]" 1
2249 2 72 LYS HA 2 82 TYR QB . . 5.340 4.667 4.378 5.104 . 0 0 "[ . 1 . 2]" 1
2250 2 72 LYS HA 2 82 TYR QD . . 5.410 4.116 3.834 4.446 . 0 0 "[ . 1 . 2]" 1
2251 2 72 LYS HA 2 82 TYR QE . . 5.400 3.705 3.061 4.039 . 0 0 "[ . 1 . 2]" 1
2252 2 72 LYS QB 2 72 LYS QD . . 2.590 2.229 2.064 2.384 . 0 0 "[ . 1 . 2]" 1
2253 2 72 LYS QB 2 73 GLU H . . 3.650 3.193 2.108 3.693 0.043 13 0 "[ . 1 . 2]" 1
2254 2 72 LYS QB 2 76 ASP H . . 5.340 4.776 4.596 5.139 . 0 0 "[ . 1 . 2]" 1
2255 2 72 LYS QB 2 76 ASP QB . . 5.180 4.371 3.885 5.083 . 0 0 "[ . 1 . 2]" 1
2256 2 72 LYS QB 2 82 TYR QD . . 5.340 3.531 3.119 4.349 . 0 0 "[ . 1 . 2]" 1
2257 2 72 LYS HB2 2 72 LYS HD2 . . 4.020 2.706 2.305 3.176 . 0 0 "[ . 1 . 2]" 1
2258 2 72 LYS HB2 2 72 LYS HD3 . . 4.020 3.170 2.203 3.730 . 0 0 "[ . 1 . 2]" 1
2259 2 72 LYS HB2 2 72 LYS QE . . 3.780 2.679 1.914 3.718 . 0 0 "[ . 1 . 2]" 1
2260 2 72 LYS HB3 2 72 LYS HD2 . . 4.020 3.078 2.448 3.820 . 0 0 "[ . 1 . 2]" 1
2261 2 72 LYS HB3 2 72 LYS HD3 . . 4.020 3.644 2.564 4.080 0.060 7 0 "[ . 1 . 2]" 1
2262 2 72 LYS HB3 2 72 LYS QE . . 3.780 3.493 2.552 3.987 0.207 3 0 "[ . 1 . 2]" 1
2263 2 72 LYS QD 2 72 LYS QG . . 2.360 2.032 1.991 2.081 . 0 0 "[ . 1 . 2]" 1
2264 2 72 LYS HD2 2 82 TYR QE . . 5.370 3.490 2.518 4.635 . 0 0 "[ . 1 . 2]" 1
2265 2 72 LYS HD3 2 82 TYR QE . . 5.370 4.186 2.776 5.352 . 0 0 "[ . 1 . 2]" 1
2266 2 72 LYS QE 2 72 LYS QG . . 3.310 2.203 1.939 2.549 . 0 0 "[ . 1 . 2]" 1
2267 2 72 LYS QE 2 73 GLU H . . 4.560 3.341 2.352 4.455 . 0 0 "[ . 1 . 2]" 1
2268 2 72 LYS QE 2 82 TYR QE . . 4.490 4.251 3.708 4.575 0.085 14 0 "[ . 1 . 2]" 1
2269 2 72 LYS QG 2 73 GLU H . . 4.010 2.891 2.129 3.730 . 0 0 "[ . 1 . 2]" 1
2270 2 72 LYS QG 2 74 TYR H . . 5.160 4.940 4.284 5.286 0.126 6 0 "[ . 1 . 2]" 1
2271 2 72 LYS QG 2 82 TYR QD . . 5.340 4.709 3.711 5.324 . 0 0 "[ . 1 . 2]" 1
2272 2 72 LYS QG 2 82 TYR QE . . 4.270 3.648 2.961 4.271 0.001 10 0 "[ . 1 . 2]" 1
2273 2 73 GLU H 2 73 GLU HB2 . . 3.530 2.492 2.377 3.604 0.074 1 0 "[ . 1 . 2]" 1
2274 2 73 GLU H 2 73 GLU QB . . 3.070 2.404 2.346 2.575 . 0 0 "[ . 1 . 2]" 1
2275 2 73 GLU H 2 73 GLU HB3 . . 3.530 3.529 2.637 3.599 0.069 13 0 "[ . 1 . 2]" 1
2276 2 73 GLU H 2 73 GLU HG2 . . 4.120 3.027 2.071 3.532 . 0 0 "[ . 1 . 2]" 1
2277 2 73 GLU H 2 73 GLU QG . . 3.330 2.253 2.007 2.395 . 0 0 "[ . 1 . 2]" 1
2278 2 73 GLU H 2 73 GLU HG3 . . 4.120 2.746 2.028 3.736 . 0 0 "[ . 1 . 2]" 1
2279 2 73 GLU H 2 74 TYR H . . 3.640 2.638 2.557 2.723 . 0 0 "[ . 1 . 2]" 1
2280 2 73 GLU H 2 75 LEU H . . 4.900 4.322 4.164 4.510 . 0 0 "[ . 1 . 2]" 1
2281 2 73 GLU H 2 76 ASP H . . 5.500 4.742 4.610 4.933 . 0 0 "[ . 1 . 2]" 1
2282 2 73 GLU H 2 76 ASP QB . . 5.340 4.593 4.247 5.111 . 0 0 "[ . 1 . 2]" 1
2283 2 73 GLU HA 2 73 GLU QG . . 3.590 2.586 2.339 3.303 . 0 0 "[ . 1 . 2]" 1
2284 2 73 GLU HA 2 76 ASP H . . 4.180 3.413 3.055 3.629 . 0 0 "[ . 1 . 2]" 1
2285 2 73 GLU HA 2 76 ASP QB . . 4.050 2.383 2.013 2.737 . 0 0 "[ . 1 . 2]" 1
2286 2 73 GLU QB 2 74 TYR H . . 3.890 2.777 2.499 3.603 . 0 0 "[ . 1 . 2]" 1
2287 2 73 GLU QB 2 74 TYR HA . . 5.340 4.059 3.898 4.560 . 0 0 "[ . 1 . 2]" 1
2288 2 73 GLU HB2 2 74 TYR H . . 4.530 2.868 2.557 3.962 . 0 0 "[ . 1 . 2]" 1
2289 2 73 GLU HB3 2 74 TYR H . . 4.530 3.761 3.482 4.142 . 0 0 "[ . 1 . 2]" 1
2290 2 73 GLU QG 2 74 TYR H . . 4.520 4.066 2.453 4.240 . 0 0 "[ . 1 . 2]" 1
2291 2 73 GLU HG2 2 74 TYR H . . 5.190 4.756 2.938 5.121 . 0 0 "[ . 1 . 2]" 1
2292 2 73 GLU HG3 2 74 TYR H . . 5.190 4.511 2.628 5.106 . 0 0 "[ . 1 . 2]" 1
2293 2 74 TYR H 2 74 TYR HB2 . . 3.820 2.659 2.533 2.771 . 0 0 "[ . 1 . 2]" 1
2294 2 74 TYR H 2 74 TYR HB3 . . 3.820 2.369 2.280 2.445 . 0 0 "[ . 1 . 2]" 1
2295 2 74 TYR H 2 74 TYR QD . . 4.190 4.139 4.066 4.200 0.010 17 0 "[ . 1 . 2]" 1
2296 2 74 TYR H 2 75 LEU H . . 3.940 2.673 2.509 2.888 . 0 0 "[ . 1 . 2]" 1
2297 2 74 TYR H 2 76 ASP H . . 5.130 3.902 3.708 4.059 . 0 0 "[ . 1 . 2]" 1
2298 2 74 TYR HA 2 74 TYR QD . . 3.960 3.016 2.613 3.317 . 0 0 "[ . 1 . 2]" 1
2299 2 74 TYR HA 2 74 TYR QE . . 5.110 4.765 4.552 4.946 . 0 0 "[ . 1 . 2]" 1
2300 2 74 TYR HA 2 77 ARG H . . 4.960 3.303 3.146 3.562 . 0 0 "[ . 1 . 2]" 1
2301 2 74 TYR HA 2 77 ARG QB . . 3.870 3.005 2.601 3.895 0.025 6 0 "[ . 1 . 2]" 1
2302 2 74 TYR HA 2 77 ARG HE . . 5.500 4.198 2.115 5.575 0.075 2 0 "[ . 1 . 2]" 1
2303 2 74 TYR HA 2 77 ARG HG2 . . 4.220 3.247 2.060 4.401 0.181 17 0 "[ . 1 . 2]" 1
2304 2 74 TYR HA 2 77 ARG QG . . 3.670 2.562 1.966 3.001 . 0 0 "[ . 1 . 2]" 1
2305 2 74 TYR HA 2 77 ARG HG3 . . 4.220 2.989 2.002 3.704 . 0 0 "[ . 1 . 2]" 1
2306 2 74 TYR HA 2 78 LYS H . . 5.500 4.465 4.193 4.885 . 0 0 "[ . 1 . 2]" 1
2307 2 74 TYR HA 2 78 LYS QD . . 5.500 5.600 5.518 5.650 0.150 6 0 "[ . 1 . 2]" 1
2308 2 74 TYR HA 2 78 LYS QE . . 5.340 5.166 4.961 5.296 . 0 0 "[ . 1 . 2]" 1
2309 2 74 TYR HA 2 78 LYS QG . . 5.340 4.236 3.941 4.553 . 0 0 "[ . 1 . 2]" 1
2310 2 74 TYR QB 2 75 LEU H . . 4.090 2.464 2.285 2.688 . 0 0 "[ . 1 . 2]" 1
2311 2 74 TYR QD 2 75 LEU H . . 4.020 2.973 2.814 3.180 . 0 0 "[ . 1 . 2]" 1
2312 2 74 TYR QD 2 75 LEU HA . . 5.260 2.980 2.384 3.626 . 0 0 "[ . 1 . 2]" 1
2313 2 74 TYR QD 2 75 LEU HG . . 3.920 2.906 2.700 3.108 . 0 0 "[ . 1 . 2]" 1
2314 2 74 TYR QD 2 76 ASP H . . 5.500 4.992 4.693 5.253 . 0 0 "[ . 1 . 2]" 1
2315 2 74 TYR QD 2 77 ARG H . . 5.430 5.074 4.827 5.261 . 0 0 "[ . 1 . 2]" 1
2316 2 74 TYR QD 2 78 LYS QD . . 5.500 4.529 3.370 5.095 . 0 0 "[ . 1 . 2]" 1
2317 2 74 TYR QD 2 78 LYS HE2 . . 5.500 4.470 3.788 5.531 0.031 10 0 "[ . 1 . 2]" 1
2318 2 74 TYR QD 2 78 LYS HE3 . . 5.500 4.591 3.920 4.970 . 0 0 "[ . 1 . 2]" 1
2319 2 74 TYR QD 2 78 LYS QG . . 4.250 3.641 3.286 3.956 . 0 0 "[ . 1 . 2]" 1
2320 2 74 TYR QE 2 75 LEU H . . 5.070 5.096 5.074 5.166 0.096 20 0 "[ . 1 . 2]" 1
2321 2 74 TYR QE 2 75 LEU HG . . 5.040 4.756 3.480 5.046 0.006 8 0 "[ . 1 . 2]" 1
2322 2 74 TYR QE 2 78 LYS H . . 5.500 5.588 5.529 5.653 0.153 1 0 "[ . 1 . 2]" 1
2323 2 74 TYR QE 2 78 LYS QD . . 4.450 3.606 2.104 4.350 . 0 0 "[ . 1 . 2]" 1
2324 2 74 TYR QE 2 78 LYS HE2 . . 4.880 3.208 2.147 4.375 . 0 0 "[ . 1 . 2]" 1
2325 2 74 TYR QE 2 78 LYS QE . . 4.250 2.678 2.119 3.042 . 0 0 "[ . 1 . 2]" 1
2326 2 74 TYR QE 2 78 LYS HE3 . . 4.880 3.171 2.932 3.410 . 0 0 "[ . 1 . 2]" 1
2327 2 74 TYR QE 2 78 LYS HG2 . . 4.710 4.136 3.703 4.885 0.175 10 0 "[ . 1 . 2]" 1
2328 2 74 TYR QE 2 78 LYS HG3 . . 4.710 3.408 2.839 3.892 . 0 0 "[ . 1 . 2]" 1
2329 2 75 LEU H 2 75 LEU QB . . 3.650 2.465 2.428 2.511 . 0 0 "[ . 1 . 2]" 1
2330 2 75 LEU H 2 75 LEU HG . . 3.730 2.178 2.065 3.529 . 0 0 "[ . 1 . 2]" 1
2331 2 75 LEU H 2 76 ASP H . . 3.940 2.542 2.429 2.785 . 0 0 "[ . 1 . 2]" 1
2332 2 75 LEU H 2 77 ARG H . . 5.010 3.981 3.884 4.096 . 0 0 "[ . 1 . 2]" 1
2333 2 75 LEU H 2 78 LYS H . . 5.420 4.797 4.662 5.018 . 0 0 "[ . 1 . 2]" 1
2334 2 75 LEU H 2 82 TYR QE . . 4.880 4.910 4.770 4.955 0.075 7 0 "[ . 1 . 2]" 1
2335 2 75 LEU HA 2 77 ARG H . . 5.020 4.101 3.951 4.326 . 0 0 "[ . 1 . 2]" 1
2336 2 75 LEU HA 2 78 LYS H . . 4.460 3.345 3.040 3.514 . 0 0 "[ . 1 . 2]" 1
2337 2 75 LEU HA 2 78 LYS HB2 . . 5.260 2.706 2.332 2.959 . 0 0 "[ . 1 . 2]" 1
2338 2 75 LEU HA 2 78 LYS QB . . 4.520 2.679 2.315 2.927 . 0 0 "[ . 1 . 2]" 1
2339 2 75 LEU HA 2 78 LYS HB3 . . 5.260 4.315 3.932 4.653 . 0 0 "[ . 1 . 2]" 1
2340 2 75 LEU HA 2 78 LYS QD . . 5.220 4.560 3.570 5.010 . 0 0 "[ . 1 . 2]" 1
2341 2 75 LEU HA 2 78 LYS HG2 . . 5.390 3.906 3.166 5.361 . 0 0 "[ . 1 . 2]" 1
2342 2 75 LEU HA 2 78 LYS HG3 . . 5.390 3.417 3.040 3.909 . 0 0 "[ . 1 . 2]" 1
2343 2 75 LEU HA 2 80 TRP H . . 5.440 3.952 3.739 4.169 . 0 0 "[ . 1 . 2]" 1
2344 2 75 LEU HA 2 80 TRP QB . . 5.320 3.489 3.213 3.747 . 0 0 "[ . 1 . 2]" 1
2345 2 75 LEU HA 2 82 TYR QD . . 5.500 4.755 4.676 4.892 . 0 0 "[ . 1 . 2]" 1
2346 2 75 LEU QB 2 76 ASP H . . 3.760 2.617 2.549 2.875 . 0 0 "[ . 1 . 2]" 1
2347 2 75 LEU QB 2 77 ARG H . . 5.340 4.615 4.541 4.747 . 0 0 "[ . 1 . 2]" 1
2348 2 75 LEU QB 2 80 TRP H . . 5.140 3.880 3.461 4.123 . 0 0 "[ . 1 . 2]" 1
2349 2 75 LEU QB 2 80 TRP QB . . 4.360 2.747 2.301 3.086 . 0 0 "[ . 1 . 2]" 1
2350 2 75 LEU QB 2 82 TYR QD . . 4.250 2.449 2.194 2.594 . 0 0 "[ . 1 . 2]" 1
2351 2 75 LEU QB 2 82 TYR QE . . 3.960 3.025 2.719 3.458 . 0 0 "[ . 1 . 2]" 1
2352 2 75 LEU HB2 2 76 ASP H . . 4.490 2.671 2.597 2.973 . 0 0 "[ . 1 . 2]" 1
2353 2 75 LEU HB2 2 82 TYR QD . . 4.860 2.953 2.597 3.417 . 0 0 "[ . 1 . 2]" 1
2354 2 75 LEU HB2 2 82 TYR QE . . 4.780 3.173 2.800 3.672 . 0 0 "[ . 1 . 2]" 1
2355 2 75 LEU HB3 2 76 ASP H . . 4.490 3.761 3.710 3.814 . 0 0 "[ . 1 . 2]" 1
2356 2 75 LEU HB3 2 82 TYR QD . . 4.860 2.627 2.366 2.784 . 0 0 "[ . 1 . 2]" 1
2357 2 75 LEU HB3 2 82 TYR QE . . 4.780 3.837 3.427 4.220 . 0 0 "[ . 1 . 2]" 1
2358 2 75 LEU HG 2 82 TYR QD . . 5.340 4.836 4.523 5.041 . 0 0 "[ . 1 . 2]" 1
2359 2 76 ASP H 2 76 ASP HB2 . . 3.920 2.524 2.414 2.592 . 0 0 "[ . 1 . 2]" 1
2360 2 76 ASP H 2 76 ASP QB . . 3.430 2.214 2.165 2.382 . 0 0 "[ . 1 . 2]" 1
2361 2 76 ASP H 2 76 ASP HB3 . . 3.920 2.489 2.390 3.641 . 0 0 "[ . 1 . 2]" 1
2362 2 76 ASP H 2 77 ARG H . . 3.760 2.590 2.453 2.732 . 0 0 "[ . 1 . 2]" 1
2363 2 76 ASP H 2 78 LYS H . . 5.110 3.934 3.854 4.157 . 0 0 "[ . 1 . 2]" 1
2364 2 76 ASP H 2 82 TYR QE . . 4.740 3.288 3.102 3.411 . 0 0 "[ . 1 . 2]" 1
2365 2 76 ASP HA 2 78 LYS H . . 5.500 4.059 3.905 4.173 . 0 0 "[ . 1 . 2]" 1
2366 2 76 ASP HA 2 79 GLY H . . 5.160 3.240 2.971 3.421 . 0 0 "[ . 1 . 2]" 1
2367 2 76 ASP HA 2 80 TRP H . . 5.500 3.817 3.420 4.250 . 0 0 "[ . 1 . 2]" 1
2368 2 76 ASP HA 2 82 TYR QD . . 5.450 4.215 3.900 4.683 . 0 0 "[ . 1 . 2]" 1
2369 2 76 ASP QB 2 77 ARG H . . 3.540 2.761 2.576 3.014 . 0 0 "[ . 1 . 2]" 1
2370 2 76 ASP QB 2 79 GLY H . . 5.160 4.726 4.458 4.877 . 0 0 "[ . 1 . 2]" 1
2371 2 76 ASP HB2 2 77 ARG H . . 4.050 3.950 3.180 4.063 0.013 15 0 "[ . 1 . 2]" 1
2372 2 76 ASP HB2 2 78 LYS H . . 5.500 5.551 5.177 5.600 0.100 16 0 "[ . 1 . 2]" 1
2373 2 76 ASP HB3 2 77 ARG H . . 4.050 2.847 2.612 3.735 . 0 0 "[ . 1 . 2]" 1
2374 2 76 ASP HB3 2 78 LYS H . . 5.500 4.896 4.734 5.283 . 0 0 "[ . 1 . 2]" 1
2375 2 77 ARG H 2 77 ARG QB . . 3.070 2.530 2.335 2.739 . 0 0 "[ . 1 . 2]" 1
2376 2 77 ARG H 2 77 ARG HD2 . . 5.190 4.275 3.425 4.943 . 0 0 "[ . 1 . 2]" 1
2377 2 77 ARG H 2 77 ARG QD . . 4.390 3.553 2.991 4.383 . 0 0 "[ . 1 . 2]" 1
2378 2 77 ARG H 2 77 ARG HD3 . . 5.190 4.066 3.055 4.977 . 0 0 "[ . 1 . 2]" 1
2379 2 77 ARG H 2 77 ARG HG2 . . 4.130 2.792 2.133 3.657 . 0 0 "[ . 1 . 2]" 1
2380 2 77 ARG H 2 77 ARG HG3 . . 4.130 3.189 2.112 3.862 . 0 0 "[ . 1 . 2]" 1
2381 2 77 ARG H 2 78 LYS H . . 3.340 2.381 2.323 2.471 . 0 0 "[ . 1 . 2]" 1
2382 2 77 ARG H 2 78 LYS QD . . 5.500 5.421 5.260 5.602 0.102 17 0 "[ . 1 . 2]" 1
2383 2 77 ARG H 2 78 LYS HG2 . . 5.480 4.482 4.045 5.435 . 0 0 "[ . 1 . 2]" 1
2384 2 77 ARG H 2 78 LYS QG . . 4.830 3.991 3.871 4.054 . 0 0 "[ . 1 . 2]" 1
2385 2 77 ARG H 2 78 LYS HG3 . . 5.480 5.102 3.988 5.562 0.082 6 0 "[ . 1 . 2]" 1
2386 2 77 ARG HA 2 77 ARG HD2 . . 4.580 3.379 2.001 4.631 0.051 19 0 "[ . 1 . 2]" 1
2387 2 77 ARG HA 2 77 ARG HD3 . . 4.580 3.345 2.077 4.709 0.129 4 0 "[ . 1 . 2]" 1
2388 2 77 ARG HA 2 77 ARG QG . . 3.740 2.880 2.354 3.546 . 0 0 "[ . 1 . 2]" 1
2389 2 77 ARG QB 2 77 ARG HE . . 4.990 3.445 1.968 4.054 . 0 0 "[ . 1 . 2]" 1
2390 2 77 ARG QB 2 78 LYS H . . 3.810 2.774 2.572 3.701 . 0 0 "[ . 1 . 2]" 1
2391 2 77 ARG QB 2 78 LYS QE . . 5.100 4.261 3.858 5.226 0.126 6 0 "[ . 1 . 2]" 1
2392 2 77 ARG HG2 2 78 LYS H . . 5.230 4.481 3.941 4.980 . 0 0 "[ . 1 . 2]" 1
2393 2 77 ARG HG3 2 78 LYS H . . 5.230 4.635 2.966 5.179 . 0 0 "[ . 1 . 2]" 1
2394 2 78 LYS H 2 78 LYS HB2 . . 4.030 2.337 2.248 2.430 . 0 0 "[ . 1 . 2]" 1
2395 2 78 LYS H 2 78 LYS QB . . 3.500 2.306 2.222 2.395 . 0 0 "[ . 1 . 2]" 1
2396 2 78 LYS H 2 78 LYS HB3 . . 4.030 3.548 3.495 3.631 . 0 0 "[ . 1 . 2]" 1
2397 2 78 LYS H 2 78 LYS QD . . 4.170 3.695 3.474 4.081 . 0 0 "[ . 1 . 2]" 1
2398 2 78 LYS H 2 78 LYS HE2 . . 5.500 5.072 4.825 5.465 . 0 0 "[ . 1 . 2]" 1
2399 2 78 LYS H 2 78 LYS HE3 . . 5.500 5.401 5.124 5.534 0.034 14 0 "[ . 1 . 2]" 1
2400 2 78 LYS H 2 78 LYS HG2 . . 4.040 2.689 2.284 3.512 . 0 0 "[ . 1 . 2]" 1
2401 2 78 LYS H 2 78 LYS QG . . 3.530 2.377 2.260 2.520 . 0 0 "[ . 1 . 2]" 1
2402 2 78 LYS H 2 78 LYS HG3 . . 4.040 3.310 2.496 3.684 . 0 0 "[ . 1 . 2]" 1
2403 2 78 LYS H 2 79 GLY H . . 3.730 2.368 2.229 2.444 . 0 0 "[ . 1 . 2]" 1
2404 2 78 LYS H 2 79 GLY QA . . 5.340 4.282 4.141 4.357 . 0 0 "[ . 1 . 2]" 1
2405 2 78 LYS H 2 80 TRP H . . 5.160 3.744 3.535 3.924 . 0 0 "[ . 1 . 2]" 1
2406 2 78 LYS HA 2 78 LYS QD . . 3.650 2.604 1.962 3.708 0.058 13 0 "[ . 1 . 2]" 1
2407 2 78 LYS HA 2 78 LYS HE2 . . 5.340 4.453 4.185 4.593 . 0 0 "[ . 1 . 2]" 1
2408 2 78 LYS HA 2 78 LYS HE3 . . 5.340 4.844 4.691 5.153 . 0 0 "[ . 1 . 2]" 1
2409 2 78 LYS HA 2 80 TRP H . . 4.800 4.581 4.369 4.746 . 0 0 "[ . 1 . 2]" 1
2410 2 78 LYS HA 2 80 TRP HZ2 . . 5.500 5.413 5.138 5.630 0.130 15 0 "[ . 1 . 2]" 1
2411 2 78 LYS QB 2 78 LYS QE . . 3.940 3.479 3.426 3.542 . 0 0 "[ . 1 . 2]" 1
2412 2 78 LYS QB 2 79 GLY H . . 4.270 3.105 3.022 3.302 . 0 0 "[ . 1 . 2]" 1
2413 2 78 LYS QB 2 80 TRP H . . 4.050 2.764 2.572 2.851 . 0 0 "[ . 1 . 2]" 1
2414 2 78 LYS QB 2 80 TRP HD1 . . 4.550 3.449 3.313 3.546 . 0 0 "[ . 1 . 2]" 1
2415 2 78 LYS QB 2 80 TRP HE3 . . 5.340 3.714 3.475 4.113 . 0 0 "[ . 1 . 2]" 1
2416 2 78 LYS HB2 2 78 LYS HE2 . . 5.140 4.731 4.601 4.811 . 0 0 "[ . 1 . 2]" 1
2417 2 78 LYS HB2 2 78 LYS HE3 . . 5.140 4.530 4.405 4.635 . 0 0 "[ . 1 . 2]" 1
2418 2 78 LYS HB2 2 79 GLY H . . 4.890 3.228 3.128 3.457 . 0 0 "[ . 1 . 2]" 1
2419 2 78 LYS HB2 2 80 TRP H . . 4.620 2.854 2.634 2.950 . 0 0 "[ . 1 . 2]" 1
2420 2 78 LYS HB2 2 80 TRP HD1 . . 5.230 4.321 4.055 4.513 . 0 0 "[ . 1 . 2]" 1
2421 2 78 LYS HB2 2 80 TRP HE1 . . 5.500 4.353 3.926 4.624 . 0 0 "[ . 1 . 2]" 1
2422 2 78 LYS HB2 2 80 TRP HZ2 . . 5.330 4.714 4.421 4.903 . 0 0 "[ . 1 . 2]" 1
2423 2 78 LYS HB3 2 78 LYS HE2 . . 5.140 4.409 4.035 4.578 . 0 0 "[ . 1 . 2]" 1
2424 2 78 LYS HB3 2 78 LYS HE3 . . 5.140 4.138 3.880 4.542 . 0 0 "[ . 1 . 2]" 1
2425 2 78 LYS HB3 2 79 GLY H . . 4.890 4.039 3.954 4.187 . 0 0 "[ . 1 . 2]" 1
2426 2 78 LYS HB3 2 80 TRP H . . 4.620 3.706 3.525 3.873 . 0 0 "[ . 1 . 2]" 1
2427 2 78 LYS HB3 2 80 TRP HD1 . . 5.230 3.626 3.491 3.725 . 0 0 "[ . 1 . 2]" 1
2428 2 78 LYS HB3 2 80 TRP HE1 . . 5.500 2.875 2.551 3.084 . 0 0 "[ . 1 . 2]" 1
2429 2 78 LYS HB3 2 80 TRP HZ2 . . 5.330 3.486 3.389 3.590 . 0 0 "[ . 1 . 2]" 1
2430 2 78 LYS QD 2 80 TRP HD1 . . 5.500 5.209 4.891 5.470 . 0 0 "[ . 1 . 2]" 1
2431 2 78 LYS QD 2 80 TRP HE1 . . 5.500 3.666 3.326 3.961 . 0 0 "[ . 1 . 2]" 1
2432 2 78 LYS QD 2 80 TRP HH2 . . 5.480 3.738 2.927 4.167 . 0 0 "[ . 1 . 2]" 1
2433 2 78 LYS QD 2 80 TRP HZ2 . . 4.540 2.799 2.206 3.231 . 0 0 "[ . 1 . 2]" 1
2434 2 78 LYS QD 2 80 TRP HZ3 . . 5.500 4.721 3.623 5.258 . 0 0 "[ . 1 . 2]" 1
2435 2 78 LYS QE 2 80 TRP HE1 . . 5.340 5.225 5.105 5.363 0.023 13 0 "[ . 1 . 2]" 1
2436 2 78 LYS QE 2 80 TRP HH2 . . 4.920 3.256 2.608 4.358 . 0 0 "[ . 1 . 2]" 1
2437 2 78 LYS HE2 2 80 TRP HZ2 . . 4.810 4.763 4.416 4.919 0.109 6 0 "[ . 1 . 2]" 1
2438 2 78 LYS HE3 2 80 TRP HZ2 . . 4.810 3.756 3.218 4.916 0.106 17 0 "[ . 1 . 2]" 1
2439 2 78 LYS QG 2 80 TRP H . . 4.640 4.581 4.388 4.680 0.040 8 0 "[ . 1 . 2]" 1
2440 2 78 LYS QG 2 80 TRP HD1 . . 5.340 5.373 5.317 5.418 0.078 6 0 "[ . 1 . 2]" 1
2441 2 78 LYS QG 2 80 TRP HE1 . . 5.340 4.511 4.442 4.603 . 0 0 "[ . 1 . 2]" 1
2442 2 78 LYS HG2 2 79 GLY H . . 5.230 4.574 4.421 4.851 . 0 0 "[ . 1 . 2]" 1
2443 2 78 LYS HG2 2 80 TRP H . . 5.310 5.227 4.944 5.502 0.192 15 0 "[ . 1 . 2]" 1
2444 2 78 LYS HG2 2 80 TRP HZ2 . . 5.500 4.953 4.567 5.204 . 0 0 "[ . 1 . 2]" 1
2445 2 78 LYS HG3 2 79 GLY H . . 5.230 5.048 4.502 5.290 0.060 11 0 "[ . 1 . 2]" 1
2446 2 78 LYS HG3 2 80 TRP H . . 5.310 5.075 4.908 5.181 . 0 0 "[ . 1 . 2]" 1
2447 2 78 LYS HG3 2 80 TRP HZ2 . . 5.500 4.065 3.496 5.192 . 0 0 "[ . 1 . 2]" 1
2448 2 79 GLY H 2 80 TRP H . . 3.600 2.625 2.555 2.681 . 0 0 "[ . 1 . 2]" 1
2449 2 79 GLY H 2 80 TRP HA . . 5.500 5.225 5.162 5.283 . 0 0 "[ . 1 . 2]" 1
2450 2 79 GLY H 2 80 TRP QB . . 5.340 4.833 4.793 4.885 . 0 0 "[ . 1 . 2]" 1
2451 2 80 TRP H 2 80 TRP HB2 . . 3.950 2.590 2.551 2.624 . 0 0 "[ . 1 . 2]" 1
2452 2 80 TRP H 2 80 TRP QB . . 3.450 2.542 2.508 2.573 . 0 0 "[ . 1 . 2]" 1
2453 2 80 TRP H 2 80 TRP HB3 . . 3.950 3.691 3.668 3.720 . 0 0 "[ . 1 . 2]" 1
2454 2 80 TRP H 2 80 TRP HD1 . . 4.360 3.491 3.095 3.761 . 0 0 "[ . 1 . 2]" 1
2455 2 80 TRP H 2 80 TRP HE1 . . 5.500 5.124 4.775 5.368 . 0 0 "[ . 1 . 2]" 1
2456 2 80 TRP H 2 81 TRP H . . 4.500 4.526 4.504 4.560 0.060 15 0 "[ . 1 . 2]" 1
2457 2 80 TRP HA 2 80 TRP HD1 . . 3.590 2.432 2.352 2.509 . 0 0 "[ . 1 . 2]" 1
2458 2 80 TRP HA 2 80 TRP HE1 . . 5.060 4.929 4.850 5.015 . 0 0 "[ . 1 . 2]" 1
2459 2 80 TRP HA 2 81 TRP QB . . 5.340 4.139 4.056 4.199 . 0 0 "[ . 1 . 2]" 1
2460 2 80 TRP QB 2 81 TRP H . . 4.130 2.611 2.503 2.786 . 0 0 "[ . 1 . 2]" 1
2461 2 80 TRP HD1 2 81 TRP H . . 4.690 4.444 4.286 4.583 . 0 0 "[ . 1 . 2]" 1
2462 2 81 TRP H 2 81 TRP HB2 . . 3.990 2.765 2.703 2.842 . 0 0 "[ . 1 . 2]" 1
2463 2 81 TRP H 2 81 TRP QB . . 3.460 2.291 2.251 2.345 . 0 0 "[ . 1 . 2]" 1
2464 2 81 TRP H 2 81 TRP HB3 . . 3.990 2.446 2.379 2.530 . 0 0 "[ . 1 . 2]" 1
2465 2 81 TRP H 2 81 TRP HD1 . . 5.360 5.166 5.111 5.251 . 0 0 "[ . 1 . 2]" 1
2466 2 81 TRP H 2 82 TYR H . . 5.080 4.565 4.503 4.605 . 0 0 "[ . 1 . 2]" 1
2467 2 81 TRP HA 2 81 TRP HD1 . . 4.180 3.155 3.083 3.228 . 0 0 "[ . 1 . 2]" 1
2468 2 81 TRP HA 2 81 TRP HE1 . . 5.500 5.101 5.021 5.167 . 0 0 "[ . 1 . 2]" 1
2469 2 81 TRP HA 2 82 TYR H . . 3.470 2.226 2.169 2.293 . 0 0 "[ . 1 . 2]" 1
2470 2 81 TRP QB 2 82 TYR H . . 4.200 3.610 3.546 3.655 . 0 0 "[ . 1 . 2]" 1
2471 2 81 TRP HB2 2 82 TYR H . . 4.860 4.045 3.975 4.104 . 0 0 "[ . 1 . 2]" 1
2472 2 81 TRP HB3 2 82 TYR H . . 4.860 4.061 3.985 4.114 . 0 0 "[ . 1 . 2]" 1
2473 2 81 TRP HD1 2 82 TYR H . . 4.890 3.614 3.450 3.785 . 0 0 "[ . 1 . 2]" 1
2474 2 81 TRP HE1 2 82 TYR H . . 5.500 4.404 4.232 4.602 . 0 0 "[ . 1 . 2]" 1
2475 2 81 TRP HE1 2 83 GLU HG2 . . 5.500 4.058 3.860 4.250 . 0 0 "[ . 1 . 2]" 1
2476 2 81 TRP HE1 2 83 GLU QG . . 4.800 3.883 3.706 4.063 . 0 0 "[ . 1 . 2]" 1
2477 2 81 TRP HE1 2 83 GLU HG3 . . 5.500 4.960 4.622 5.187 . 0 0 "[ . 1 . 2]" 1
2478 2 81 TRP HE3 2 82 TYR H . . 4.930 4.423 4.288 4.542 . 0 0 "[ . 1 . 2]" 1
2479 2 81 TRP HE3 2 82 TYR HA . . 4.440 3.494 3.338 3.667 . 0 0 "[ . 1 . 2]" 1
2480 2 81 TRP HH2 2 82 TYR HA . . 5.460 5.036 4.919 5.146 . 0 0 "[ . 1 . 2]" 1
2481 2 81 TRP HH2 2 83 GLU H . . 5.500 5.291 5.078 5.382 . 0 0 "[ . 1 . 2]" 1
2482 2 81 TRP HH2 2 83 GLU QB . . 4.220 4.271 4.177 4.301 0.081 11 0 "[ . 1 . 2]" 1
2483 2 81 TRP HH2 2 83 GLU HG2 . . 4.960 3.471 3.130 4.026 . 0 0 "[ . 1 . 2]" 1
2484 2 81 TRP HH2 2 83 GLU QG . . 4.140 2.569 2.443 2.685 . 0 0 "[ . 1 . 2]" 1
2485 2 81 TRP HH2 2 83 GLU HG3 . . 4.960 2.654 2.534 2.737 . 0 0 "[ . 1 . 2]" 1
2486 2 81 TRP HZ2 2 82 TYR HA . . 5.440 5.432 5.380 5.484 0.044 8 0 "[ . 1 . 2]" 1
2487 2 81 TRP HZ2 2 83 GLU QB . . 4.310 4.414 4.386 4.445 0.135 15 0 "[ . 1 . 2]" 1
2488 2 81 TRP HZ2 2 83 GLU HG2 . . 5.060 2.552 2.392 2.901 . 0 0 "[ . 1 . 2]" 1
2489 2 81 TRP HZ2 2 83 GLU QG . . 4.210 2.421 2.321 2.543 . 0 0 "[ . 1 . 2]" 1
2490 2 81 TRP HZ2 2 83 GLU HG3 . . 5.060 3.086 2.782 3.279 . 0 0 "[ . 1 . 2]" 1
2491 2 81 TRP HZ3 2 83 GLU H . . 5.500 5.234 4.943 5.382 . 0 0 "[ . 1 . 2]" 1
2492 2 81 TRP HZ3 2 83 GLU QB . . 5.390 5.290 5.178 5.342 . 0 0 "[ . 1 . 2]" 1
2493 2 81 TRP HZ3 2 83 GLU QG . . 4.960 3.658 3.515 3.859 . 0 0 "[ . 1 . 2]" 1
2494 2 82 TYR H 2 82 TYR QD . . 4.660 3.102 2.875 3.279 . 0 0 "[ . 1 . 2]" 1
2495 2 82 TYR H 2 83 GLU H . . 5.030 4.279 4.237 4.320 . 0 0 "[ . 1 . 2]" 1
2496 2 82 TYR QB 2 83 GLU H . . 3.860 2.272 2.195 2.387 . 0 0 "[ . 1 . 2]" 1
2497 2 82 TYR HB2 2 83 GLU H . . 4.500 2.293 2.213 2.414 . 0 0 "[ . 1 . 2]" 1
2498 2 82 TYR HB3 2 83 GLU H . . 4.500 3.685 3.626 3.766 . 0 0 "[ . 1 . 2]" 1
2499 2 82 TYR QD 2 83 GLU H . . 4.610 3.082 2.980 3.207 . 0 0 "[ . 1 . 2]" 1
2500 2 82 TYR QD 2 83 GLU HA . . 5.500 3.630 3.374 3.850 . 0 0 "[ . 1 . 2]" 1
2501 2 82 TYR QD 2 84 VAL H . . 4.830 4.004 3.639 4.271 . 0 0 "[ . 1 . 2]" 1
2502 2 82 TYR QE 2 84 VAL HB . . 5.110 4.577 4.371 4.912 . 0 0 "[ . 1 . 2]" 1
2503 2 83 GLU H 2 83 GLU QB . . 3.800 2.646 2.568 2.702 . 0 0 "[ . 1 . 2]" 1
2504 2 83 GLU H 2 83 GLU QG . . 3.940 2.861 2.707 3.049 . 0 0 "[ . 1 . 2]" 1
2505 2 83 GLU HA 2 83 GLU QG . . 3.720 2.499 2.417 2.577 . 0 0 "[ . 1 . 2]" 1
2506 2 83 GLU HA 2 84 VAL H . . 3.180 2.183 2.108 2.293 . 0 0 "[ . 1 . 2]" 1
2507 2 83 GLU HA 2 84 VAL HB . . 5.110 4.629 4.541 4.772 . 0 0 "[ . 1 . 2]" 1
2508 2 83 GLU QB 2 84 VAL H . . 3.740 2.828 2.557 3.065 . 0 0 "[ . 1 . 2]" 1
2509 2 83 GLU QB 2 85 LYS H . . 5.500 4.441 4.138 4.720 . 0 0 "[ . 1 . 2]" 1
2510 2 83 GLU QG 2 84 VAL H . . 4.880 4.104 3.895 4.315 . 0 0 "[ . 1 . 2]" 1
2511 2 84 VAL H 2 84 VAL HB . . 3.450 2.584 2.520 2.673 . 0 0 "[ . 1 . 2]" 1
2512 2 84 VAL H 2 85 LYS H . . 4.900 4.173 4.042 4.299 . 0 0 "[ . 1 . 2]" 1
2513 2 84 VAL H 2 85 LYS QD . . 5.080 4.919 3.684 5.284 0.204 13 0 "[ . 1 . 2]" 1
2514 2 84 VAL H 2 85 LYS QG . . 5.190 4.288 3.504 5.281 0.091 9 0 "[ . 1 . 2]" 1
2515 2 84 VAL HB 2 85 LYS H . . 4.630 4.177 4.017 4.260 . 0 0 "[ . 1 . 2]" 1
2516 2 85 LYS H 2 85 LYS QD . . 4.300 3.405 2.233 3.724 . 0 0 "[ . 1 . 2]" 1
2517 2 85 LYS H 2 85 LYS QE . . 5.500 4.475 4.117 5.069 . 0 0 "[ . 1 . 2]" 1
2518 2 85 LYS H 2 85 LYS HG2 . . 4.660 3.451 2.259 4.190 . 0 0 "[ . 1 . 2]" 1
2519 2 85 LYS H 2 85 LYS QG . . 4.070 2.667 2.238 3.495 . 0 0 "[ . 1 . 2]" 1
2520 2 85 LYS H 2 85 LYS HG3 . . 4.660 3.205 2.549 3.772 . 0 0 "[ . 1 . 2]" 1
2521 2 85 LYS HA 2 85 LYS QD . . 4.390 3.271 2.119 4.262 . 0 0 "[ . 1 . 2]" 1
2522 2 85 LYS HA 2 85 LYS QE . . 4.520 4.457 4.090 4.681 0.161 16 0 "[ . 1 . 2]" 1
2523 2 85 LYS HA 2 85 LYS HG2 . . 4.190 2.930 2.527 3.679 . 0 0 "[ . 1 . 2]" 1
2524 2 85 LYS HA 2 85 LYS QG . . 3.650 2.603 2.300 3.132 . 0 0 "[ . 1 . 2]" 1
2525 2 85 LYS HA 2 85 LYS HG3 . . 4.190 3.054 2.416 3.906 . 0 0 "[ . 1 . 2]" 1
2526 2 85 LYS QB 2 85 LYS QD . . 3.420 2.245 2.101 2.438 . 0 0 "[ . 1 . 2]" 1
2527 2 85 LYS QB 2 85 LYS QE . . 3.650 3.576 2.448 3.793 0.143 5 0 "[ . 1 . 2]" 1
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