NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
562071 |
2m3l   |
18967 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m3l
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 6
_Distance_constraint_stats_list.Viol_count 18
_Distance_constraint_stats_list.Viol_total 28.218
_Distance_constraint_stats_list.Viol_max 0.244
_Distance_constraint_stats_list.Viol_rms 0.0363
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0118
_Distance_constraint_stats_list.Viol_average_violations_only 0.0784
_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 28 CYS 1.087 0.244 8 0 "[ . 1 . 2]"
1 31 CYS 0.324 0.095 15 0 "[ . 1 . 2]"
1 61 CYS 0.324 0.095 15 0 "[ . 1 . 2]"
1 64 CYS 1.087 0.244 8 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 28 CYS SG 1 31 CYS SG . . 3.800 3.687 3.618 3.782 . 0 0 "[ . 1 . 2]" 1
2 1 28 CYS SG 1 61 CYS SG . . 3.800 3.612 3.547 3.708 . 0 0 "[ . 1 . 2]" 1
3 1 28 CYS SG 1 64 CYS SG . . 3.800 3.841 3.716 4.044 0.244 8 0 "[ . 1 . 2]" 1
4 1 31 CYS SG 1 61 CYS SG . . 3.800 3.779 3.673 3.895 0.095 15 0 "[ . 1 . 2]" 1
5 1 31 CYS SG 1 64 CYS SG . . 3.800 3.738 3.625 3.790 . 0 0 "[ . 1 . 2]" 1
6 1 61 CYS SG 1 64 CYS SG . . 3.800 3.723 3.637 3.786 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 1380
_Distance_constraint_stats_list.Viol_count 1697
_Distance_constraint_stats_list.Viol_total 3094.629
_Distance_constraint_stats_list.Viol_max 0.550
_Distance_constraint_stats_list.Viol_rms 0.0305
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0056
_Distance_constraint_stats_list.Viol_average_violations_only 0.0912
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 HIS 0.020 0.011 3 0 "[ . 1 . 2]"
1 4 MET 0.690 0.128 17 0 "[ . 1 . 2]"
1 5 SER 1.061 0.132 20 0 "[ . 1 . 2]"
1 6 ARG 8.094 0.267 11 0 "[ . 1 . 2]"
1 7 SER 1.011 0.110 20 0 "[ . 1 . 2]"
1 8 VAL 5.014 0.197 17 0 "[ . 1 . 2]"
1 9 TYR 14.997 0.360 18 0 "[ . 1 . 2]"
1 10 GLY 10.734 0.325 7 0 "[ . 1 . 2]"
1 11 THR 0.011 0.005 3 0 "[ . 1 . 2]"
1 12 THR 5.806 0.280 4 0 "[ . 1 . 2]"
1 13 LEU 27.525 0.550 3 1 "[ + . 1 . 2]"
1 14 GLU 10.122 0.325 7 0 "[ . 1 . 2]"
1 15 ALA 1.417 0.111 1 0 "[ . 1 . 2]"
1 16 ILE 4.999 0.550 3 1 "[ + . 1 . 2]"
1 17 THR 7.122 0.248 1 0 "[ . 1 . 2]"
1 18 LYS 0.919 0.111 1 0 "[ . 1 . 2]"
1 19 LYS 2.980 0.131 16 0 "[ . 1 . 2]"
1 20 SER 1.057 0.125 3 0 "[ . 1 . 2]"
1 21 LEU 1.443 0.176 16 0 "[ . 1 . 2]"
1 22 TYR 1.022 0.176 16 0 "[ . 1 . 2]"
1 23 ASP 1.263 0.122 16 0 "[ . 1 . 2]"
1 24 LEU 1.794 0.103 7 0 "[ . 1 . 2]"
1 25 SER 0.180 0.047 16 0 "[ . 1 . 2]"
1 26 ILE 3.471 0.221 16 0 "[ . 1 . 2]"
1 27 ARG 2.145 0.208 20 0 "[ . 1 . 2]"
1 28 CYS 0.823 0.208 20 0 "[ . 1 . 2]"
1 29 HIS 0.007 0.007 17 0 "[ . 1 . 2]"
1 30 ARG 0.797 0.140 12 0 "[ . 1 . 2]"
1 31 CYS 0.064 0.064 13 0 "[ . 1 . 2]"
1 32 GLN 4.165 0.160 20 0 "[ . 1 . 2]"
1 33 ARG 2.025 0.160 15 0 "[ . 1 . 2]"
1 34 PRO 0.008 0.008 19 0 "[ . 1 . 2]"
1 35 LEU 1.378 0.161 1 0 "[ . 1 . 2]"
1 36 GLY 0.045 0.019 15 0 "[ . 1 . 2]"
1 37 PRO 6.504 0.281 12 0 "[ . 1 . 2]"
1 38 GLU 8.363 0.330 13 0 "[ . 1 . 2]"
1 39 GLU 0.681 0.161 1 0 "[ . 1 . 2]"
1 40 LYS 1.949 0.119 3 0 "[ . 1 . 2]"
1 41 GLN 11.624 0.281 12 0 "[ . 1 . 2]"
1 42 LYS 18.210 0.346 7 0 "[ . 1 . 2]"
1 43 LEU 5.330 0.167 15 0 "[ . 1 . 2]"
1 44 VAL 2.379 0.167 15 0 "[ . 1 . 2]"
1 45 ASP 6.226 0.209 9 0 "[ . 1 . 2]"
1 46 GLU 10.740 0.346 7 0 "[ . 1 . 2]"
1 47 LYS 0.692 0.150 3 0 "[ . 1 . 2]"
1 48 LYS 2.111 0.113 16 0 "[ . 1 . 2]"
1 49 ARG 0.795 0.110 20 0 "[ . 1 . 2]"
1 50 PHE 5.628 0.197 17 0 "[ . 1 . 2]"
1 51 HIS 7.285 0.309 10 0 "[ . 1 . 2]"
1 52 GLU 10.668 0.267 11 0 "[ . 1 . 2]"
1 53 ILE 11.930 0.305 15 0 "[ . 1 . 2]"
1 54 ALA 0.011 0.011 1 0 "[ . 1 . 2]"
1 55 GLY 0.071 0.049 15 0 "[ . 1 . 2]"
1 56 ARG 12.562 0.305 15 0 "[ . 1 . 2]"
1 57 TRP 4.371 0.108 4 0 "[ . 1 . 2]"
1 58 THR 11.213 0.309 10 0 "[ . 1 . 2]"
1 59 GLY 0.317 0.062 17 0 "[ . 1 . 2]"
1 60 GLN 2.773 0.199 20 0 "[ . 1 . 2]"
1 61 CYS 1.852 0.149 9 0 "[ . 1 . 2]"
1 62 ALA 5.830 0.199 20 0 "[ . 1 . 2]"
1 63 ASN 1.038 0.096 6 0 "[ . 1 . 2]"
1 64 CYS 1.382 0.140 12 0 "[ . 1 . 2]"
1 65 TRP 3.403 0.129 20 0 "[ . 1 . 2]"
1 66 GLN 1.974 0.240 17 0 "[ . 1 . 2]"
1 67 ARG 0.250 0.067 7 0 "[ . 1 . 2]"
1 68 THR 0.526 0.192 16 0 "[ . 1 . 2]"
1 69 ARG 0.893 0.192 16 0 "[ . 1 . 2]"
1 70 GLN 2.520 0.294 9 0 "[ . 1 . 2]"
1 71 ARG 0.091 0.087 7 0 "[ . 1 . 2]"
1 72 ASN 3.401 0.252 2 0 "[ . 1 . 2]"
1 73 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 GLN 2.675 0.372 18 0 "[ . 1 . 2]"
1 76 VAL 2.478 0.372 18 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 4 MET HA 1 53 ILE HA . . 5.400 4.253 3.249 4.904 . 0 0 "[ . 1 . 2]" 2
2 1 4 MET HA 1 53 ILE HB . . 5.900 5.751 4.480 6.028 0.128 17 0 "[ . 1 . 2]" 2
3 1 4 MET HA 1 53 ILE MG . . 6.720 4.772 3.446 5.537 . 0 0 "[ . 1 . 2]" 2
4 1 4 MET HA 1 54 ALA MB . . 7.220 5.153 3.625 6.517 . 0 0 "[ . 1 . 2]" 2
5 1 4 MET QB 1 54 ALA MB . . 9.600 5.485 3.171 7.194 . 0 0 "[ . 1 . 2]" 2
6 1 5 SER HA 1 53 ILE MG . . 6.720 2.592 2.020 4.341 . 0 0 "[ . 1 . 2]" 2
7 1 5 SER HA 1 53 ILE MD . . 6.720 5.120 3.886 5.879 . 0 0 "[ . 1 . 2]" 2
8 1 5 SER HB2 1 53 ILE MG . . 6.720 3.835 2.427 4.867 . 0 0 "[ . 1 . 2]" 2
9 1 5 SER HB2 1 53 ILE MD . . 6.720 6.311 4.948 6.768 0.048 15 0 "[ . 1 . 2]" 2
10 1 5 SER HB3 1 53 ILE MG . . 6.720 3.168 2.094 6.024 . 0 0 "[ . 1 . 2]" 2
11 1 5 SER HB3 1 53 ILE MD . . 6.720 5.664 4.473 6.735 0.015 12 0 "[ . 1 . 2]" 2
12 1 6 ARG HA 1 6 ARG HD2 . . 5.400 4.244 2.132 4.881 . 0 0 "[ . 1 . 2]" 2
13 1 6 ARG HA 1 6 ARG HD3 . . 5.400 4.241 2.621 4.831 . 0 0 "[ . 1 . 2]" 2
14 1 6 ARG HB2 1 57 TRP HH2 . . 5.400 4.252 3.097 5.422 0.022 15 0 "[ . 1 . 2]" 2
15 1 6 ARG HD2 1 16 ILE MD . . 6.720 5.176 3.241 6.656 . 0 0 "[ . 1 . 2]" 2
16 1 6 ARG HD3 1 16 ILE MD . . 6.720 4.977 3.164 6.593 . 0 0 "[ . 1 . 2]" 2
17 1 7 SER HA 1 8 VAL MG1 . . 6.720 4.105 3.782 5.507 . 0 0 "[ . 1 . 2]" 2
18 1 7 SER HA 1 8 VAL MG2 . . 6.720 3.763 3.334 4.013 . 0 0 "[ . 1 . 2]" 2
19 1 7 SER HA 1 57 TRP HE3 . . 5.900 5.235 4.871 5.606 . 0 0 "[ . 1 . 2]" 2
20 1 7 SER HA 1 57 TRP HZ3 . . 5.400 3.597 3.269 3.969 . 0 0 "[ . 1 . 2]" 2
21 1 7 SER HB2 1 49 ARG HB2 . . 5.400 3.906 2.716 4.710 . 0 0 "[ . 1 . 2]" 2
22 1 7 SER HB2 1 49 ARG HB3 . . 5.400 3.693 2.382 4.376 . 0 0 "[ . 1 . 2]" 2
23 1 7 SER HB2 1 49 ARG HD2 . . 5.400 3.768 2.674 5.510 0.110 20 0 "[ . 1 . 2]" 2
24 1 7 SER HB2 1 49 ARG HD3 . . 5.400 3.700 2.596 5.303 . 0 0 "[ . 1 . 2]" 2
25 1 7 SER HB2 1 51 HIS HE1 . . 5.400 5.148 4.756 5.401 0.001 3 0 "[ . 1 . 2]" 2
26 1 7 SER HB3 1 49 ARG HB2 . . 5.400 2.991 2.248 4.383 . 0 0 "[ . 1 . 2]" 2
27 1 7 SER HB3 1 49 ARG HB3 . . 5.400 2.889 2.057 4.253 . 0 0 "[ . 1 . 2]" 2
28 1 7 SER HB3 1 49 ARG HD2 . . 5.400 3.814 2.785 5.492 0.092 13 0 "[ . 1 . 2]" 2
29 1 7 SER HB3 1 49 ARG HD3 . . 5.400 3.797 2.944 5.202 . 0 0 "[ . 1 . 2]" 2
30 1 8 VAL HA 1 9 TYR QE . . 8.030 5.584 4.447 7.937 . 0 0 "[ . 1 . 2]" 2
31 1 8 VAL HA 1 12 THR HB . . 5.400 4.445 4.185 4.690 . 0 0 "[ . 1 . 2]" 2
32 1 8 VAL HA 1 12 THR MG . . 6.720 4.241 3.783 4.753 . 0 0 "[ . 1 . 2]" 2
33 1 8 VAL HA 1 16 ILE MD . . 7.220 5.951 5.059 7.217 . 0 0 "[ . 1 . 2]" 2
34 1 8 VAL HA 1 49 ARG HD2 . . 5.400 4.328 2.680 5.417 0.017 1 0 "[ . 1 . 2]" 2
35 1 8 VAL HA 1 49 ARG HD3 . . 5.400 3.460 2.300 5.454 0.054 1 0 "[ . 1 . 2]" 2
36 1 8 VAL HB 1 12 THR HB . . 3.700 2.265 1.976 3.501 . 0 0 "[ . 1 . 2]" 2
37 1 8 VAL HB 1 12 THR MG . . 5.020 2.415 2.071 4.161 . 0 0 "[ . 1 . 2]" 2
38 1 8 VAL HB 1 13 LEU HA . . 5.900 5.636 4.687 5.919 0.019 16 0 "[ . 1 . 2]" 2
39 1 8 VAL HB 1 16 ILE MD . . 6.720 4.202 3.413 5.435 . 0 0 "[ . 1 . 2]" 2
40 1 8 VAL MG1 1 12 THR HA . . 7.220 5.314 4.301 5.746 . 0 0 "[ . 1 . 2]" 2
41 1 8 VAL MG1 1 12 THR HB . . 6.720 3.362 1.861 3.817 . 0 0 "[ . 1 . 2]" 2
42 1 8 VAL MG1 1 13 LEU HA . . 7.220 5.521 4.529 5.821 . 0 0 "[ . 1 . 2]" 2
43 1 8 VAL MG1 1 57 TRP HZ2 . . 6.720 5.149 4.574 5.657 . 0 0 "[ . 1 . 2]" 2
44 1 8 VAL MG1 1 57 TRP HH2 . . 5.020 3.496 2.846 3.888 . 0 0 "[ . 1 . 2]" 2
45 1 8 VAL MG2 1 12 THR HA . . 7.220 4.845 4.460 6.750 . 0 0 "[ . 1 . 2]" 2
46 1 8 VAL MG2 1 12 THR HB . . 6.720 2.544 2.161 4.457 . 0 0 "[ . 1 . 2]" 2
47 1 8 VAL MG2 1 13 LEU HA . . 7.220 3.752 3.248 5.676 . 0 0 "[ . 1 . 2]" 2
48 1 8 VAL MG2 1 57 TRP HZ2 . . 6.720 3.699 3.593 3.916 . 0 0 "[ . 1 . 2]" 2
49 1 9 TYR HA 1 49 ARG HA . . 3.700 2.682 2.403 2.961 . 0 0 "[ . 1 . 2]" 2
50 1 9 TYR HA 1 49 ARG HG2 . . 5.400 3.230 2.393 5.268 . 0 0 "[ . 1 . 2]" 2
51 1 9 TYR HA 1 49 ARG HG3 . . 5.400 4.344 3.188 4.916 . 0 0 "[ . 1 . 2]" 2
52 1 9 TYR HB2 1 11 THR MG . . 7.220 5.632 4.767 6.933 . 0 0 "[ . 1 . 2]" 2
53 1 9 TYR HB3 1 11 THR MG . . 7.220 5.487 4.619 6.087 . 0 0 "[ . 1 . 2]" 2
54 1 9 TYR QD 1 11 THR MG . . 9.350 5.662 3.937 6.786 . 0 0 "[ . 1 . 2]" 2
55 1 10 GLY HA2 1 11 THR HA . . 5.900 4.744 4.658 4.813 . 0 0 "[ . 1 . 2]" 2
56 1 10 GLY HA2 1 13 LEU HB2 . . 5.900 2.852 2.260 3.048 . 0 0 "[ . 1 . 2]" 2
57 1 10 GLY HA2 1 13 LEU HB3 . . 5.900 4.377 3.092 4.547 . 0 0 "[ . 1 . 2]" 2
58 1 10 GLY HA2 1 13 LEU MD1 . . 7.220 2.014 1.908 2.535 . 0 0 "[ . 1 . 2]" 2
59 1 10 GLY HA2 1 13 LEU MD2 . . 7.220 3.636 2.966 4.572 . 0 0 "[ . 1 . 2]" 2
60 1 10 GLY HA2 1 21 LEU MD1 . . 6.720 3.078 2.540 3.804 . 0 0 "[ . 1 . 2]" 2
61 1 10 GLY HA2 1 21 LEU MD2 . . 6.720 1.996 1.907 2.108 . 0 0 "[ . 1 . 2]" 2
62 1 10 GLY HA2 1 44 VAL MG1 . . 7.220 5.715 4.683 6.233 . 0 0 "[ . 1 . 2]" 2
63 1 10 GLY HA2 1 44 VAL MG2 . . 7.220 4.269 3.306 5.178 . 0 0 "[ . 1 . 2]" 2
64 1 10 GLY HA2 1 50 PHE QE . . 7.530 2.719 2.493 2.957 . 0 0 "[ . 1 . 2]" 2
65 1 10 GLY HA2 1 50 PHE QD . . 7.530 3.017 2.496 3.527 . 0 0 "[ . 1 . 2]" 2
66 1 10 GLY HA3 1 11 THR HA . . 5.900 4.319 4.260 4.374 . 0 0 "[ . 1 . 2]" 2
67 1 10 GLY HA3 1 13 LEU HB2 . . 5.900 4.263 3.919 4.345 . 0 0 "[ . 1 . 2]" 2
68 1 10 GLY HA3 1 13 LEU HB3 . . 5.900 5.845 4.466 5.970 0.070 5 0 "[ . 1 . 2]" 2
69 1 10 GLY HA3 1 13 LEU MD1 . . 7.220 3.527 3.317 3.876 . 0 0 "[ . 1 . 2]" 2
70 1 10 GLY HA3 1 13 LEU MD2 . . 7.220 5.030 4.361 5.874 . 0 0 "[ . 1 . 2]" 2
71 1 10 GLY HA3 1 21 LEU MD1 . . 6.720 2.091 1.891 2.840 . 0 0 "[ . 1 . 2]" 2
72 1 10 GLY HA3 1 21 LEU MD2 . . 6.720 2.494 2.033 3.028 . 0 0 "[ . 1 . 2]" 2
73 1 10 GLY HA3 1 44 VAL MG1 . . 7.220 4.304 3.235 4.811 . 0 0 "[ . 1 . 2]" 2
74 1 10 GLY HA3 1 44 VAL MG2 . . 7.220 3.107 2.010 4.328 . 0 0 "[ . 1 . 2]" 2
75 1 10 GLY HA3 1 50 PHE QE . . 7.530 2.650 2.278 3.063 . 0 0 "[ . 1 . 2]" 2
76 1 10 GLY HA3 1 50 PHE QD . . 7.530 4.016 3.520 4.465 . 0 0 "[ . 1 . 2]" 2
77 1 12 THR HA 1 13 LEU HA . . 5.900 4.900 4.832 4.995 . 0 0 "[ . 1 . 2]" 2
78 1 12 THR HA 1 15 ALA MB . . 6.720 2.822 2.413 3.262 . 0 0 "[ . 1 . 2]" 2
79 1 12 THR HA 1 16 ILE MD . . 6.720 4.452 4.252 4.904 . 0 0 "[ . 1 . 2]" 2
80 1 12 THR HB 1 13 LEU HA . . 5.900 4.263 4.066 4.369 . 0 0 "[ . 1 . 2]" 2
81 1 12 THR HB 1 15 ALA MB . . 7.220 5.096 4.709 5.473 . 0 0 "[ . 1 . 2]" 2
82 1 12 THR HB 1 16 ILE MD . . 6.720 3.971 3.396 5.195 . 0 0 "[ . 1 . 2]" 2
83 1 12 THR MG 1 13 LEU HA . . 6.720 4.296 4.112 4.448 . 0 0 "[ . 1 . 2]" 2
84 1 12 THR MG 1 16 ILE HA . . 6.720 5.069 4.784 5.210 . 0 0 "[ . 1 . 2]" 2
85 1 12 THR MG 1 16 ILE HB . . 6.720 3.905 3.570 4.156 . 0 0 "[ . 1 . 2]" 2
86 1 12 THR MG 1 16 ILE MG . . 8.740 4.331 4.013 4.520 . 0 0 "[ . 1 . 2]" 2
87 1 12 THR MG 1 16 ILE HG12 . . 6.720 3.319 2.058 3.727 . 0 0 "[ . 1 . 2]" 2
88 1 12 THR MG 1 16 ILE HG13 . . 6.720 2.463 2.200 2.834 . 0 0 "[ . 1 . 2]" 2
89 1 12 THR MG 1 16 ILE MD . . 7.040 2.240 1.987 2.917 . 0 0 "[ . 1 . 2]" 2
90 1 13 LEU HA 1 15 ALA MB . . 7.220 4.982 4.738 5.198 . 0 0 "[ . 1 . 2]" 2
91 1 13 LEU HA 1 16 ILE HA . . 5.900 5.439 5.032 5.708 . 0 0 "[ . 1 . 2]" 2
92 1 13 LEU HA 1 16 ILE HB . . 5.400 2.852 2.266 3.237 . 0 0 "[ . 1 . 2]" 2
93 1 13 LEU HA 1 16 ILE MG . . 6.720 4.261 3.742 4.569 . 0 0 "[ . 1 . 2]" 2
94 1 13 LEU HA 1 16 ILE HG12 . . 5.400 5.249 3.710 5.950 0.550 3 1 "[ + . 1 . 2]" 2
95 1 13 LEU HA 1 16 ILE HG13 . . 5.400 4.247 3.834 4.637 . 0 0 "[ . 1 . 2]" 2
96 1 13 LEU HA 1 16 ILE MD . . 5.020 4.100 3.476 5.036 0.016 11 0 "[ . 1 . 2]" 2
97 1 13 LEU HA 1 17 THR MG . . 6.720 4.967 4.313 5.327 . 0 0 "[ . 1 . 2]" 2
98 1 13 LEU MD1 1 21 LEU MD1 . . 9.240 4.183 3.822 4.666 . 0 0 "[ . 1 . 2]" 2
99 1 13 LEU MD1 1 21 LEU MD2 . . 9.240 2.597 1.993 3.162 . 0 0 "[ . 1 . 2]" 2
100 1 13 LEU MD1 1 24 LEU MD1 . . 8.740 5.138 2.747 6.312 . 0 0 "[ . 1 . 2]" 2
101 1 13 LEU MD1 1 24 LEU MD2 . . 8.740 4.509 2.077 6.651 . 0 0 "[ . 1 . 2]" 2
102 1 13 LEU MD1 1 50 PHE HB2 . . 7.220 2.140 1.917 2.820 . 0 0 "[ . 1 . 2]" 2
103 1 13 LEU MD1 1 50 PHE HB3 . . 7.220 3.329 2.803 3.587 . 0 0 "[ . 1 . 2]" 2
104 1 13 LEU MD1 1 57 TRP HD1 . . 7.220 6.004 4.834 6.812 . 0 0 "[ . 1 . 2]" 2
105 1 13 LEU MD2 1 21 LEU MD1 . . 9.240 4.856 3.973 6.269 . 0 0 "[ . 1 . 2]" 2
106 1 13 LEU MD2 1 21 LEU MD2 . . 9.240 2.879 2.042 4.497 . 0 0 "[ . 1 . 2]" 2
107 1 13 LEU MD2 1 24 LEU MD1 . . 8.740 3.562 1.915 4.927 . 0 0 "[ . 1 . 2]" 2
108 1 13 LEU MD2 1 24 LEU MD2 . . 8.740 3.017 1.873 4.922 . 0 0 "[ . 1 . 2]" 2
109 1 13 LEU MD2 1 50 PHE HB2 . . 7.220 2.553 2.080 4.694 . 0 0 "[ . 1 . 2]" 2
110 1 13 LEU MD2 1 50 PHE HB3 . . 7.220 2.984 2.397 5.093 . 0 0 "[ . 1 . 2]" 2
111 1 13 LEU MD2 1 57 TRP HD1 . . 7.220 4.069 3.729 4.521 . 0 0 "[ . 1 . 2]" 2
112 1 13 LEU MD2 1 57 TRP HE3 . . 7.220 3.061 2.698 4.404 . 0 0 "[ . 1 . 2]" 2
113 1 14 GLU HA 1 17 THR MG . . 7.220 5.393 4.955 5.824 . 0 0 "[ . 1 . 2]" 2
114 1 14 GLU HA 1 19 LYS HA . . 5.900 4.510 4.001 4.929 . 0 0 "[ . 1 . 2]" 2
115 1 14 GLU HA 1 21 LEU HG . . 5.400 5.182 4.830 5.407 0.007 18 0 "[ . 1 . 2]" 2
116 1 14 GLU HG2 1 21 LEU HG . . 5.400 3.095 2.594 3.664 . 0 0 "[ . 1 . 2]" 2
117 1 14 GLU HG2 1 21 LEU MD1 . . 6.720 4.234 3.907 4.535 . 0 0 "[ . 1 . 2]" 2
118 1 14 GLU HG2 1 21 LEU MD2 . . 6.720 3.515 3.063 4.324 . 0 0 "[ . 1 . 2]" 2
119 1 14 GLU HG3 1 21 LEU HG . . 5.400 3.473 2.362 4.611 . 0 0 "[ . 1 . 2]" 2
120 1 14 GLU HG3 1 21 LEU MD1 . . 6.720 4.207 3.317 5.019 . 0 0 "[ . 1 . 2]" 2
121 1 14 GLU HG3 1 21 LEU MD2 . . 6.720 3.935 2.586 5.486 . 0 0 "[ . 1 . 2]" 2
122 1 15 ALA HA 1 18 LYS HA . . 5.400 3.421 3.097 3.922 . 0 0 "[ . 1 . 2]" 2
123 1 15 ALA MB 1 16 ILE HA . . 6.720 3.776 3.693 3.859 . 0 0 "[ . 1 . 2]" 2
124 1 15 ALA MB 1 16 ILE MG . . 9.240 4.891 4.786 5.002 . 0 0 "[ . 1 . 2]" 2
125 1 15 ALA MB 1 16 ILE MD . . 9.240 4.120 3.237 4.534 . 0 0 "[ . 1 . 2]" 2
126 1 16 ILE HA 1 17 THR HA . . 5.400 4.589 4.482 4.672 . 0 0 "[ . 1 . 2]" 2
127 1 16 ILE HB 1 17 THR HA . . 5.400 4.355 4.213 4.513 . 0 0 "[ . 1 . 2]" 2
128 1 16 ILE HB 1 17 THR MG . . 6.720 5.148 4.938 5.301 . 0 0 "[ . 1 . 2]" 2
129 1 16 ILE MG 1 17 THR HA . . 6.720 3.250 3.067 3.464 . 0 0 "[ . 1 . 2]" 2
130 1 16 ILE MG 1 57 TRP HZ2 . . 5.020 3.156 2.464 3.793 . 0 0 "[ . 1 . 2]" 2
131 1 16 ILE MG 1 57 TRP HH2 . . 6.720 4.291 3.523 5.047 . 0 0 "[ . 1 . 2]" 2
132 1 16 ILE MD 1 17 THR MG . . 9.240 6.240 5.952 6.509 . 0 0 "[ . 1 . 2]" 2
133 1 16 ILE MD 1 57 TRP HZ3 . . 7.220 5.864 4.891 7.240 0.020 11 0 "[ . 1 . 2]" 2
134 1 16 ILE MD 1 57 TRP HZ2 . . 5.020 3.991 3.020 5.082 0.062 4 0 "[ . 1 . 2]" 2
135 1 17 THR MG 1 24 LEU HG . . 6.720 3.791 2.040 4.395 . 0 0 "[ . 1 . 2]" 2
136 1 17 THR MG 1 24 LEU MD1 . . 8.740 2.393 1.854 3.994 . 0 0 "[ . 1 . 2]" 2
137 1 17 THR MG 1 24 LEU MD2 . . 8.740 2.330 1.892 2.888 . 0 0 "[ . 1 . 2]" 2
138 1 19 LYS HA 1 19 LYS HG2 . . 3.700 2.911 2.312 3.647 . 0 0 "[ . 1 . 2]" 2
139 1 19 LYS HA 1 19 LYS HG3 . . 3.700 3.419 2.613 3.756 0.056 11 0 "[ . 1 . 2]" 2
140 1 19 LYS HA 1 19 LYS HD2 . . 5.400 3.096 2.109 4.648 . 0 0 "[ . 1 . 2]" 2
141 1 19 LYS HA 1 19 LYS HD3 . . 5.400 2.832 1.950 4.489 . 0 0 "[ . 1 . 2]" 2
142 1 19 LYS HB2 1 23 ASP HB2 . . 5.900 5.829 5.064 6.022 0.122 16 0 "[ . 1 . 2]" 2
143 1 19 LYS HB2 1 23 ASP HB3 . . 5.900 4.325 3.669 4.787 . 0 0 "[ . 1 . 2]" 2
144 1 19 LYS HB3 1 23 ASP HB2 . . 5.900 4.167 3.328 4.852 . 0 0 "[ . 1 . 2]" 2
145 1 19 LYS HB3 1 23 ASP HB3 . . 5.900 2.687 2.110 3.401 . 0 0 "[ . 1 . 2]" 2
146 1 20 SER HB2 1 23 ASP HB2 . . 5.400 3.649 2.477 5.401 0.001 5 0 "[ . 1 . 2]" 2
147 1 20 SER HB2 1 23 ASP HB3 . . 5.400 3.680 2.569 4.966 . 0 0 "[ . 1 . 2]" 2
148 1 20 SER HB3 1 23 ASP HB2 . . 5.400 4.855 3.495 5.415 0.015 1 0 "[ . 1 . 2]" 2
149 1 20 SER HB3 1 23 ASP HB3 . . 5.400 4.738 3.397 5.398 . 0 0 "[ . 1 . 2]" 2
150 1 21 LEU HA 1 24 LEU HB2 . . 5.400 3.604 2.754 4.505 . 0 0 "[ . 1 . 2]" 2
151 1 21 LEU HA 1 24 LEU HB3 . . 5.400 3.305 2.452 5.037 . 0 0 "[ . 1 . 2]" 2
152 1 21 LEU HA 1 24 LEU HG . . 5.400 4.803 3.820 5.419 0.019 11 0 "[ . 1 . 2]" 2
153 1 21 LEU HA 1 26 ILE MD . . 6.720 3.581 2.675 4.688 . 0 0 "[ . 1 . 2]" 2
154 1 21 LEU HB2 1 22 TYR HA . . 5.900 4.260 3.896 4.553 . 0 0 "[ . 1 . 2]" 2
155 1 21 LEU HB2 1 40 LYS HB2 . . 5.900 5.286 3.862 5.950 0.050 9 0 "[ . 1 . 2]" 2
156 1 21 LEU HB2 1 40 LYS HB3 . . 5.900 4.313 3.371 5.441 . 0 0 "[ . 1 . 2]" 2
157 1 21 LEU HB3 1 22 TYR HA . . 5.900 4.383 4.147 4.529 . 0 0 "[ . 1 . 2]" 2
158 1 21 LEU HB3 1 40 LYS HB2 . . 5.900 4.396 2.386 5.456 . 0 0 "[ . 1 . 2]" 2
159 1 21 LEU HB3 1 40 LYS HB3 . . 5.900 3.255 2.315 5.075 . 0 0 "[ . 1 . 2]" 2
160 1 21 LEU HG 1 50 PHE QE . . 8.030 5.148 4.775 5.685 . 0 0 "[ . 1 . 2]" 2
161 1 21 LEU MD1 1 40 LYS HB2 . . 6.720 4.731 2.812 5.781 . 0 0 "[ . 1 . 2]" 2
162 1 21 LEU MD1 1 40 LYS HB3 . . 6.720 3.544 2.525 5.053 . 0 0 "[ . 1 . 2]" 2
163 1 21 LEU MD1 1 44 VAL HA . . 6.720 4.700 3.394 5.492 . 0 0 "[ . 1 . 2]" 2
164 1 21 LEU MD1 1 44 VAL MG1 . . 8.740 3.396 2.708 4.141 . 0 0 "[ . 1 . 2]" 2
165 1 21 LEU MD1 1 44 VAL MG2 . . 8.740 2.092 1.855 2.458 . 0 0 "[ . 1 . 2]" 2
166 1 21 LEU MD1 1 50 PHE HZ . . 6.720 2.997 2.176 3.993 . 0 0 "[ . 1 . 2]" 2
167 1 21 LEU MD1 1 50 PHE QE . . 8.850 3.133 2.369 4.062 . 0 0 "[ . 1 . 2]" 2
168 1 21 LEU MD1 1 50 PHE QD . . 8.850 4.703 3.993 5.650 . 0 0 "[ . 1 . 2]" 2
169 1 21 LEU MD2 1 40 LYS HB2 . . 6.720 5.459 3.191 6.743 0.023 3 0 "[ . 1 . 2]" 2
170 1 21 LEU MD2 1 40 LYS HB3 . . 6.720 4.183 2.199 6.292 . 0 0 "[ . 1 . 2]" 2
171 1 21 LEU MD2 1 44 VAL HA . . 6.720 6.122 5.406 6.725 0.005 15 0 "[ . 1 . 2]" 2
172 1 21 LEU MD2 1 44 VAL MG1 . . 8.740 5.190 3.963 5.939 . 0 0 "[ . 1 . 2]" 2
173 1 21 LEU MD2 1 44 VAL MG2 . . 8.740 3.601 2.489 4.109 . 0 0 "[ . 1 . 2]" 2
174 1 21 LEU MD2 1 50 PHE HZ . . 6.720 3.059 2.522 3.411 . 0 0 "[ . 1 . 2]" 2
175 1 22 TYR HA 1 23 ASP HA . . 5.900 4.802 4.653 4.856 . 0 0 "[ . 1 . 2]" 2
176 1 22 TYR HA 1 26 ILE MD . . 7.220 6.262 5.276 7.255 0.035 9 0 "[ . 1 . 2]" 2
177 1 22 TYR HA 1 37 PRO HA . . 5.400 4.707 3.175 5.455 0.055 3 0 "[ . 1 . 2]" 2
178 1 22 TYR QE 1 37 PRO HA . . 7.530 5.185 3.692 6.313 . 0 0 "[ . 1 . 2]" 2
179 1 22 TYR QD 1 23 ASP HA . . 8.030 4.009 3.495 6.098 . 0 0 "[ . 1 . 2]" 2
180 1 22 TYR QD 1 37 PRO HG2 . . 8.030 5.713 3.676 8.051 0.021 3 0 "[ . 1 . 2]" 2
181 1 22 TYR QD 1 37 PRO HG3 . . 8.030 4.727 2.877 7.887 . 0 0 "[ . 1 . 2]" 2
182 1 24 LEU HB2 1 26 ILE MD . . 6.720 3.966 2.774 4.914 . 0 0 "[ . 1 . 2]" 2
183 1 24 LEU HB3 1 26 ILE MD . . 6.720 2.966 2.426 3.440 . 0 0 "[ . 1 . 2]" 2
184 1 24 LEU HG 1 26 ILE MD . . 6.720 3.449 2.163 4.824 . 0 0 "[ . 1 . 2]" 2
185 1 24 LEU MD1 1 57 TRP HD1 . . 6.720 2.597 2.179 4.238 . 0 0 "[ . 1 . 2]" 2
186 1 26 ILE HA 1 57 TRP HB2 . . 5.400 3.150 2.547 4.386 . 0 0 "[ . 1 . 2]" 2
187 1 26 ILE HA 1 57 TRP HB3 . . 5.400 3.965 3.277 5.182 . 0 0 "[ . 1 . 2]" 2
188 1 26 ILE HA 1 58 THR HA . . 5.400 4.023 3.305 4.950 . 0 0 "[ . 1 . 2]" 2
189 1 26 ILE HB 1 40 LYS HE2 . . 5.400 3.731 2.600 4.968 . 0 0 "[ . 1 . 2]" 2
190 1 26 ILE HB 1 40 LYS HE3 . . 5.400 4.872 2.591 5.463 0.063 7 0 "[ . 1 . 2]" 2
191 1 26 ILE HB 1 50 PHE QD . . 7.530 3.910 3.029 4.405 . 0 0 "[ . 1 . 2]" 2
192 1 26 ILE MG 1 27 ARG HA . . 7.220 3.978 3.743 4.299 . 0 0 "[ . 1 . 2]" 2
193 1 26 ILE MG 1 35 LEU HG . . 6.720 4.531 2.756 5.575 . 0 0 "[ . 1 . 2]" 2
194 1 26 ILE MG 1 35 LEU MD1 . . 8.740 2.639 2.221 3.158 . 0 0 "[ . 1 . 2]" 2
195 1 26 ILE MG 1 35 LEU MD2 . . 8.740 3.226 2.385 3.754 . 0 0 "[ . 1 . 2]" 2
196 1 26 ILE MG 1 50 PHE QE . . 8.850 3.772 3.297 4.394 . 0 0 "[ . 1 . 2]" 2
197 1 26 ILE MG 1 50 PHE QD . . 7.150 2.361 2.001 3.088 . 0 0 "[ . 1 . 2]" 2
198 1 26 ILE MG 1 57 TRP HB2 . . 6.720 2.753 2.503 3.205 . 0 0 "[ . 1 . 2]" 2
199 1 26 ILE MG 1 57 TRP HB3 . . 6.720 2.258 2.050 2.613 . 0 0 "[ . 1 . 2]" 2
200 1 26 ILE MG 1 58 THR HA . . 5.020 2.327 2.146 2.535 . 0 0 "[ . 1 . 2]" 2
201 1 26 ILE MG 1 58 THR HB . . 6.720 4.313 4.087 4.459 . 0 0 "[ . 1 . 2]" 2
202 1 26 ILE MG 1 59 GLY HA2 . . 6.720 4.067 3.748 4.417 . 0 0 "[ . 1 . 2]" 2
203 1 26 ILE MG 1 59 GLY HA3 . . 6.720 3.113 2.787 3.497 . 0 0 "[ . 1 . 2]" 2
204 1 26 ILE MD 1 40 LYS HB2 . . 6.720 5.746 4.749 6.738 0.018 13 0 "[ . 1 . 2]" 2
205 1 26 ILE MD 1 40 LYS HB3 . . 6.720 4.878 3.546 6.728 0.008 9 0 "[ . 1 . 2]" 2
206 1 26 ILE MD 1 50 PHE HZ . . 7.220 4.133 3.729 4.631 . 0 0 "[ . 1 . 2]" 2
207 1 26 ILE MD 1 57 TRP HB2 . . 6.720 3.578 2.876 4.405 . 0 0 "[ . 1 . 2]" 2
208 1 26 ILE MD 1 57 TRP HB3 . . 6.720 3.070 2.272 4.014 . 0 0 "[ . 1 . 2]" 2
209 1 26 ILE MD 1 58 THR HA . . 7.220 5.193 4.480 6.221 . 0 0 "[ . 1 . 2]" 2
210 1 27 ARG HA 1 27 ARG HD2 . . 5.400 4.616 4.232 4.886 . 0 0 "[ . 1 . 2]" 2
211 1 27 ARG HA 1 27 ARG HD3 . . 5.400 4.181 3.986 4.798 . 0 0 "[ . 1 . 2]" 2
212 1 27 ARG HA 1 32 GLN HA . . 5.400 4.874 4.314 5.272 . 0 0 "[ . 1 . 2]" 2
213 1 27 ARG HA 1 34 PRO HA . . 3.700 2.081 1.830 2.534 . 0 0 "[ . 1 . 2]" 2
214 1 27 ARG HA 1 34 PRO HB2 . . 5.400 4.913 4.486 5.408 0.008 19 0 "[ . 1 . 2]" 2
215 1 27 ARG HA 1 34 PRO HB3 . . 5.400 4.194 3.892 4.811 . 0 0 "[ . 1 . 2]" 2
216 1 27 ARG HA 1 35 LEU MD1 . . 6.720 3.220 2.256 4.771 . 0 0 "[ . 1 . 2]" 2
217 1 27 ARG HA 1 35 LEU MD2 . . 6.720 4.479 3.087 5.440 . 0 0 "[ . 1 . 2]" 2
218 1 27 ARG HB2 1 32 GLN HA . . 5.400 3.692 3.328 4.479 . 0 0 "[ . 1 . 2]" 2
219 1 27 ARG HB3 1 32 GLN HA . . 5.400 2.696 2.113 4.812 . 0 0 "[ . 1 . 2]" 2
220 1 27 ARG HG2 1 32 GLN HA . . 5.400 4.547 3.120 5.136 . 0 0 "[ . 1 . 2]" 2
221 1 27 ARG HG3 1 32 GLN HA . . 5.400 4.985 2.494 5.436 0.036 12 0 "[ . 1 . 2]" 2
222 1 27 ARG HD2 1 32 GLN HA . . 5.400 3.432 1.928 3.896 . 0 0 "[ . 1 . 2]" 2
223 1 27 ARG HD2 1 32 GLN HB2 . . 5.400 5.312 3.893 5.496 0.096 10 0 "[ . 1 . 2]" 2
224 1 27 ARG HD2 1 32 GLN HB3 . . 5.400 3.911 2.533 4.864 . 0 0 "[ . 1 . 2]" 2
225 1 27 ARG HD3 1 32 GLN HA . . 5.400 3.140 2.264 4.196 . 0 0 "[ . 1 . 2]" 2
226 1 27 ARG HD3 1 32 GLN HB2 . . 5.400 4.765 4.131 5.434 0.034 20 0 "[ . 1 . 2]" 2
227 1 27 ARG HD3 1 32 GLN HB3 . . 5.400 3.595 2.731 5.425 0.025 13 0 "[ . 1 . 2]" 2
228 1 28 CYS HA 1 35 LEU MD1 . . 6.720 3.156 2.288 4.473 . 0 0 "[ . 1 . 2]" 2
229 1 28 CYS HA 1 35 LEU MD2 . . 6.720 3.858 2.404 4.977 . 0 0 "[ . 1 . 2]" 2
230 1 28 CYS HA 1 60 GLN HA . . 5.400 2.630 2.280 3.169 . 0 0 "[ . 1 . 2]" 2
231 1 29 HIS HE1 1 53 ILE MG . . 7.220 5.440 2.307 7.227 0.007 17 0 "[ . 1 . 2]" 2
232 1 30 ARG HB2 1 64 CYS HB2 . . 5.900 5.344 3.852 5.914 0.014 19 0 "[ . 1 . 2]" 2
233 1 30 ARG HB2 1 64 CYS HB3 . . 5.900 5.441 3.794 6.040 0.140 12 0 "[ . 1 . 2]" 2
234 1 30 ARG HB3 1 64 CYS HB2 . . 5.900 4.639 3.696 5.160 . 0 0 "[ . 1 . 2]" 2
235 1 30 ARG HB3 1 64 CYS HB3 . . 5.900 4.570 3.297 4.981 . 0 0 "[ . 1 . 2]" 2
236 1 33 ARG HA 1 33 ARG HD2 . . 5.400 3.721 2.622 4.745 . 0 0 "[ . 1 . 2]" 2
237 1 33 ARG HA 1 33 ARG HD3 . . 5.400 4.079 3.398 4.798 . 0 0 "[ . 1 . 2]" 2
238 1 33 ARG HA 1 34 PRO HD2 . . 3.700 2.704 2.368 3.252 . 0 0 "[ . 1 . 2]" 2
239 1 33 ARG HA 1 34 PRO HD3 . . 3.700 2.160 1.931 2.476 . 0 0 "[ . 1 . 2]" 2
240 1 34 PRO HA 1 35 LEU HB2 . . 5.900 4.532 4.347 4.868 . 0 0 "[ . 1 . 2]" 2
241 1 34 PRO HA 1 35 LEU HB3 . . 5.900 5.672 5.616 5.744 . 0 0 "[ . 1 . 2]" 2
242 1 35 LEU HA 1 39 GLU HB2 . . 5.400 3.450 2.938 4.017 . 0 0 "[ . 1 . 2]" 2
243 1 35 LEU HA 1 39 GLU HB3 . . 5.400 4.110 3.088 4.988 . 0 0 "[ . 1 . 2]" 2
244 1 35 LEU HA 1 61 CYS HB2 . . 5.900 3.749 2.965 4.805 . 0 0 "[ . 1 . 2]" 2
245 1 35 LEU HA 1 61 CYS HB3 . . 5.900 2.979 2.489 4.048 . 0 0 "[ . 1 . 2]" 2
246 1 35 LEU HG 1 61 CYS HA . . 5.400 3.180 1.960 5.449 0.049 19 0 "[ . 1 . 2]" 2
247 1 35 LEU MD1 1 50 PHE QE . . 8.850 4.139 2.106 6.090 . 0 0 "[ . 1 . 2]" 2
248 1 35 LEU MD1 1 50 PHE QD . . 8.850 4.302 2.749 5.551 . 0 0 "[ . 1 . 2]" 2
249 1 35 LEU MD1 1 60 GLN HA . . 6.720 3.744 2.827 4.879 . 0 0 "[ . 1 . 2]" 2
250 1 35 LEU MD1 1 61 CYS HB2 . . 6.720 4.480 3.583 5.727 . 0 0 "[ . 1 . 2]" 2
251 1 35 LEU MD1 1 61 CYS HB3 . . 6.720 3.238 2.097 4.823 . 0 0 "[ . 1 . 2]" 2
252 1 35 LEU MD2 1 50 PHE QE . . 8.850 3.466 1.943 5.376 . 0 0 "[ . 1 . 2]" 2
253 1 35 LEU MD2 1 50 PHE QD . . 8.850 4.040 2.609 5.561 . 0 0 "[ . 1 . 2]" 2
254 1 35 LEU MD2 1 60 GLN HA . . 6.720 3.855 3.021 4.943 . 0 0 "[ . 1 . 2]" 2
255 1 35 LEU MD2 1 61 CYS HB2 . . 6.720 4.300 3.118 6.254 . 0 0 "[ . 1 . 2]" 2
256 1 35 LEU MD2 1 61 CYS HB3 . . 6.720 3.411 1.941 5.382 . 0 0 "[ . 1 . 2]" 2
257 1 36 GLY HA2 1 37 PRO HG2 . . 5.400 5.042 4.729 5.408 0.008 4 0 "[ . 1 . 2]" 2
258 1 36 GLY HA2 1 37 PRO HG3 . . 5.400 4.506 4.107 5.222 . 0 0 "[ . 1 . 2]" 2
259 1 36 GLY HA2 1 37 PRO HD2 . . 3.700 3.361 2.801 3.718 0.018 11 0 "[ . 1 . 2]" 2
260 1 36 GLY HA2 1 37 PRO HD3 . . 3.700 2.477 2.106 3.001 . 0 0 "[ . 1 . 2]" 2
261 1 36 GLY HA3 1 37 PRO HG2 . . 5.400 4.768 4.296 5.219 . 0 0 "[ . 1 . 2]" 2
262 1 36 GLY HA3 1 37 PRO HG3 . . 5.400 4.770 4.394 5.079 . 0 0 "[ . 1 . 2]" 2
263 1 36 GLY HA3 1 37 PRO HD2 . . 3.700 2.618 2.105 3.063 . 0 0 "[ . 1 . 2]" 2
264 1 36 GLY HA3 1 37 PRO HD3 . . 3.700 2.732 2.271 3.268 . 0 0 "[ . 1 . 2]" 2
265 1 37 PRO HA 1 40 LYS HE2 . . 5.400 5.356 4.484 5.517 0.117 6 0 "[ . 1 . 2]" 2
266 1 37 PRO HA 1 40 LYS HE3 . . 5.400 4.267 2.937 5.386 . 0 0 "[ . 1 . 2]" 2
267 1 38 GLU HA 1 38 GLU HG2 . . 3.700 3.349 2.493 3.790 0.090 12 0 "[ . 1 . 2]" 2
268 1 38 GLU HA 1 38 GLU HG3 . . 3.700 3.264 2.570 4.030 0.330 13 0 "[ . 1 . 2]" 2
269 1 38 GLU HA 1 41 GLN HG2 . . 5.400 4.316 3.335 5.444 0.044 15 0 "[ . 1 . 2]" 2
270 1 38 GLU HA 1 41 GLN HG3 . . 5.400 4.266 2.594 5.237 . 0 0 "[ . 1 . 2]" 2
271 1 39 GLU HA 1 61 CYS HA . . 5.400 4.376 3.282 5.419 0.019 10 0 "[ . 1 . 2]" 2
272 1 39 GLU HA 1 62 ALA MB . . 5.020 2.510 1.860 4.346 . 0 0 "[ . 1 . 2]" 2
273 1 39 GLU HG2 1 61 CYS HA . . 5.900 3.519 1.816 5.287 . 0 0 "[ . 1 . 2]" 2
274 1 39 GLU HG2 1 62 ALA MB . . 6.720 3.419 1.943 4.871 . 0 0 "[ . 1 . 2]" 2
275 1 39 GLU HG3 1 61 CYS HA . . 5.900 3.816 1.807 5.471 . 0 0 "[ . 1 . 2]" 2
276 1 39 GLU HG3 1 62 ALA MB . . 6.720 3.254 1.973 5.092 . 0 0 "[ . 1 . 2]" 2
277 1 40 LYS HA 1 40 LYS HE2 . . 5.900 4.985 4.111 5.961 0.061 11 0 "[ . 1 . 2]" 2
278 1 40 LYS HA 1 40 LYS HE3 . . 5.900 5.184 4.097 6.019 0.119 3 0 "[ . 1 . 2]" 2
279 1 40 LYS HA 1 50 PHE HZ . . 5.400 3.315 2.141 4.579 . 0 0 "[ . 1 . 2]" 2
280 1 40 LYS HA 1 50 PHE QE . . 7.530 3.322 2.718 4.057 . 0 0 "[ . 1 . 2]" 2
281 1 41 GLN HA 1 42 LYS HA . . 5.400 4.536 4.287 4.701 . 0 0 "[ . 1 . 2]" 2
282 1 41 GLN HA 1 44 VAL HB . . 3.700 2.702 2.212 3.273 . 0 0 "[ . 1 . 2]" 2
283 1 41 GLN HA 1 45 ASP HA . . 5.400 5.513 5.429 5.603 0.203 10 0 "[ . 1 . 2]" 2
284 1 42 LYS HA 1 43 LEU HG . . 5.400 5.082 4.908 5.351 . 0 0 "[ . 1 . 2]" 2
285 1 42 LYS HA 1 45 ASP HB2 . . 5.400 2.607 2.018 3.493 . 0 0 "[ . 1 . 2]" 2
286 1 42 LYS HA 1 45 ASP HB3 . . 5.400 2.140 1.857 2.888 . 0 0 "[ . 1 . 2]" 2
287 1 42 LYS HA 1 65 TRP HH2 . . 5.900 5.216 4.166 5.956 0.056 7 0 "[ . 1 . 2]" 2
288 1 43 LEU HA 1 44 VAL HA . . 5.400 4.698 4.563 4.792 . 0 0 "[ . 1 . 2]" 2
289 1 43 LEU HA 1 48 LYS HB2 . . 5.400 2.368 2.030 2.832 . 0 0 "[ . 1 . 2]" 2
290 1 43 LEU HA 1 48 LYS HB3 . . 5.400 3.508 2.368 3.927 . 0 0 "[ . 1 . 2]" 2
291 1 43 LEU HB2 1 48 LYS HB2 . . 5.900 4.168 3.405 5.091 . 0 0 "[ . 1 . 2]" 2
292 1 43 LEU HB2 1 48 LYS HB3 . . 5.900 4.621 3.738 5.280 . 0 0 "[ . 1 . 2]" 2
293 1 43 LEU HB2 1 50 PHE HZ . . 5.400 2.890 2.485 3.436 . 0 0 "[ . 1 . 2]" 2
294 1 43 LEU HB2 1 50 PHE QE . . 7.530 3.410 2.734 4.068 . 0 0 "[ . 1 . 2]" 2
295 1 43 LEU HB3 1 48 LYS HB2 . . 5.900 2.699 1.878 3.829 . 0 0 "[ . 1 . 2]" 2
296 1 43 LEU HB3 1 48 LYS HB3 . . 5.900 2.908 2.108 3.575 . 0 0 "[ . 1 . 2]" 2
297 1 43 LEU HB3 1 50 PHE QE . . 7.530 3.899 3.175 4.273 . 0 0 "[ . 1 . 2]" 2
298 1 43 LEU HG 1 48 LYS HB2 . . 5.400 4.802 4.318 5.442 0.042 6 0 "[ . 1 . 2]" 2
299 1 43 LEU HG 1 48 LYS HB3 . . 5.400 5.264 4.524 5.490 0.090 7 0 "[ . 1 . 2]" 2
300 1 43 LEU MD1 1 48 LYS HB2 . . 7.220 4.359 3.622 5.217 . 0 0 "[ . 1 . 2]" 2
301 1 43 LEU MD1 1 48 LYS HB3 . . 7.220 4.045 3.677 4.603 . 0 0 "[ . 1 . 2]" 2
302 1 43 LEU MD1 1 50 PHE HA . . 7.220 4.198 3.194 5.110 . 0 0 "[ . 1 . 2]" 2
303 1 43 LEU MD1 1 59 GLY HA2 . . 6.720 4.563 3.482 5.378 . 0 0 "[ . 1 . 2]" 2
304 1 43 LEU MD1 1 59 GLY HA3 . . 6.720 3.549 2.518 4.133 . 0 0 "[ . 1 . 2]" 2
305 1 43 LEU MD2 1 48 LYS HB2 . . 7.220 2.914 2.479 3.378 . 0 0 "[ . 1 . 2]" 2
306 1 43 LEU MD2 1 48 LYS HB3 . . 7.220 2.887 2.661 3.161 . 0 0 "[ . 1 . 2]" 2
307 1 43 LEU MD2 1 50 PHE HA . . 7.220 5.427 4.304 6.443 . 0 0 "[ . 1 . 2]" 2
308 1 43 LEU MD2 1 59 GLY HA2 . . 6.720 5.398 4.342 6.084 . 0 0 "[ . 1 . 2]" 2
309 1 43 LEU MD2 1 59 GLY HA3 . . 6.720 4.837 3.936 5.658 . 0 0 "[ . 1 . 2]" 2
310 1 44 VAL HA 1 50 PHE QE . . 7.530 4.467 3.776 5.001 . 0 0 "[ . 1 . 2]" 2
311 1 44 VAL HB 1 45 ASP HA . . 5.400 4.187 3.982 4.407 . 0 0 "[ . 1 . 2]" 2
312 1 45 ASP HB2 1 46 GLU HG2 . . 5.400 5.468 5.441 5.526 0.126 20 0 "[ . 1 . 2]" 2
313 1 45 ASP HB2 1 46 GLU HG3 . . 5.400 4.630 4.321 5.281 . 0 0 "[ . 1 . 2]" 2
314 1 45 ASP HB3 1 46 GLU HG2 . . 5.400 4.026 3.716 4.219 . 0 0 "[ . 1 . 2]" 2
315 1 45 ASP HB3 1 46 GLU HG3 . . 5.400 2.985 2.604 3.694 . 0 0 "[ . 1 . 2]" 2
316 1 46 GLU HG3 1 65 TRP HZ2 . . 5.900 4.916 3.727 5.588 . 0 0 "[ . 1 . 2]" 2
317 1 47 LYS HA 1 47 LYS HG2 . . 3.700 3.380 2.425 3.737 0.037 16 0 "[ . 1 . 2]" 2
318 1 47 LYS HA 1 47 LYS HG3 . . 3.700 2.715 2.342 3.850 0.150 3 0 "[ . 1 . 2]" 2
319 1 47 LYS HA 1 47 LYS HD2 . . 5.400 3.659 2.501 4.949 . 0 0 "[ . 1 . 2]" 2
320 1 47 LYS HA 1 47 LYS HD3 . . 5.400 3.945 2.124 4.716 . 0 0 "[ . 1 . 2]" 2
321 1 48 LYS HA 1 48 LYS HD2 . . 3.700 2.746 2.010 3.806 0.106 14 0 "[ . 1 . 2]" 2
322 1 48 LYS HA 1 48 LYS HD3 . . 3.700 3.505 2.043 3.813 0.113 16 0 "[ . 1 . 2]" 2
323 1 48 LYS HA 1 49 ARG HA . . 5.400 4.396 4.271 4.519 . 0 0 "[ . 1 . 2]" 2
324 1 49 ARG HA 1 49 ARG HD2 . . 5.400 4.468 2.746 5.039 . 0 0 "[ . 1 . 2]" 2
325 1 49 ARG HA 1 49 ARG HD3 . . 5.400 4.351 3.914 4.742 . 0 0 "[ . 1 . 2]" 2
326 1 50 PHE QD 1 59 GLY HA3 . . 7.530 3.490 2.455 4.782 . 0 0 "[ . 1 . 2]" 2
327 1 51 HIS HA 1 57 TRP HZ3 . . 5.400 3.337 3.162 3.549 . 0 0 "[ . 1 . 2]" 2
328 1 51 HIS HB2 1 53 ILE MD . . 6.720 5.744 4.501 6.568 . 0 0 "[ . 1 . 2]" 2
329 1 51 HIS HB3 1 53 ILE MD . . 6.720 4.383 3.144 5.130 . 0 0 "[ . 1 . 2]" 2
330 1 51 HIS HD2 1 52 GLU HA . . 5.400 4.479 4.062 4.961 . 0 0 "[ . 1 . 2]" 2
331 1 51 HIS HD2 1 53 ILE MG . . 6.720 2.353 1.939 4.557 . 0 0 "[ . 1 . 2]" 2
332 1 51 HIS HD2 1 53 ILE MD . . 7.220 3.734 1.978 5.847 . 0 0 "[ . 1 . 2]" 2
333 1 52 GLU HA 1 53 ILE MD . . 6.720 4.814 3.058 5.804 . 0 0 "[ . 1 . 2]" 2
334 1 52 GLU HA 1 57 TRP HA . . 3.700 2.249 2.092 2.411 . 0 0 "[ . 1 . 2]" 2
335 1 52 GLU HA 1 57 TRP HE3 . . 5.400 3.348 3.128 3.603 . 0 0 "[ . 1 . 2]" 2
336 1 52 GLU HG2 1 57 TRP HA . . 5.900 4.713 4.013 5.440 . 0 0 "[ . 1 . 2]" 2
337 1 52 GLU HG3 1 57 TRP HA . . 5.900 4.284 3.759 5.692 . 0 0 "[ . 1 . 2]" 2
338 1 53 ILE HA 1 54 ALA MB . . 6.720 4.045 3.900 4.153 . 0 0 "[ . 1 . 2]" 2
339 1 53 ILE MG 1 54 ALA HA . . 7.220 5.501 4.110 5.814 . 0 0 "[ . 1 . 2]" 2
340 1 53 ILE MD 1 54 ALA MB . . 8.740 4.410 3.822 5.130 . 0 0 "[ . 1 . 2]" 2
341 1 53 ILE MD 1 58 THR HB . . 6.720 3.545 2.579 4.096 . 0 0 "[ . 1 . 2]" 2
342 1 53 ILE MD 1 58 THR MG . . 7.040 2.520 2.008 3.485 . 0 0 "[ . 1 . 2]" 2
343 1 56 ARG HA 1 56 ARG HD2 . . 5.400 3.970 2.052 4.785 . 0 0 "[ . 1 . 2]" 2
344 1 56 ARG HA 1 56 ARG HD3 . . 5.400 3.824 1.922 5.192 . 0 0 "[ . 1 . 2]" 2
345 1 57 TRP HA 1 57 TRP HE3 . . 3.700 2.931 2.713 3.156 . 0 0 "[ . 1 . 2]" 2
346 1 57 TRP HA 1 57 TRP HZ3 . . 5.900 4.991 4.757 5.215 . 0 0 "[ . 1 . 2]" 2
347 1 57 TRP HA 1 58 THR MG . . 6.720 4.449 3.648 5.377 . 0 0 "[ . 1 . 2]" 2
348 1 58 THR MG 1 59 GLY HA2 . . 7.220 4.487 3.367 5.368 . 0 0 "[ . 1 . 2]" 2
349 1 58 THR MG 1 59 GLY HA3 . . 7.220 4.957 4.079 5.677 . 0 0 "[ . 1 . 2]" 2
350 1 60 GLN HA 1 61 CYS HA . . 5.400 4.257 4.192 4.319 . 0 0 "[ . 1 . 2]" 2
351 1 60 GLN HG2 1 65 TRP HA . . 5.400 3.761 2.845 4.404 . 0 0 "[ . 1 . 2]" 2
352 1 60 GLN HG3 1 65 TRP HA . . 5.400 4.545 3.915 5.169 . 0 0 "[ . 1 . 2]" 2
353 1 61 CYS HA 1 62 ALA HA . . 5.900 4.217 4.068 4.374 . 0 0 "[ . 1 . 2]" 2
354 1 62 ALA HA 1 63 ASN HA . . 5.400 4.861 4.699 4.964 . 0 0 "[ . 1 . 2]" 2
355 1 62 ALA HA 1 65 TRP HB2 . . 5.400 2.932 2.336 3.653 . 0 0 "[ . 1 . 2]" 2
356 1 62 ALA HA 1 65 TRP HB3 . . 5.400 1.893 1.819 1.991 . 0 0 "[ . 1 . 2]" 2
357 1 62 ALA HA 1 65 TRP HD1 . . 5.400 5.472 5.374 5.529 0.129 20 0 "[ . 1 . 2]" 2
358 1 62 ALA MB 1 63 ASN HA . . 6.720 3.911 3.760 4.094 . 0 0 "[ . 1 . 2]" 2
359 1 62 ALA MB 1 65 TRP HB2 . . 6.720 4.447 3.872 5.045 . 0 0 "[ . 1 . 2]" 2
360 1 62 ALA MB 1 65 TRP HB3 . . 6.720 3.380 2.941 3.625 . 0 0 "[ . 1 . 2]" 2
361 1 62 ALA MB 1 65 TRP HE3 . . 7.220 2.822 2.170 3.845 . 0 0 "[ . 1 . 2]" 2
362 1 64 CYS HA 1 67 ARG HB2 . . 5.400 3.499 2.609 4.592 . 0 0 "[ . 1 . 2]" 2
363 1 64 CYS HA 1 67 ARG HB3 . . 5.400 4.199 2.354 5.428 0.028 14 0 "[ . 1 . 2]" 2
364 1 64 CYS HA 1 67 ARG HG2 . . 5.400 4.311 2.662 5.432 0.032 4 0 "[ . 1 . 2]" 2
365 1 64 CYS HA 1 67 ARG HG3 . . 5.400 4.317 2.706 5.467 0.067 7 0 "[ . 1 . 2]" 2
366 1 65 TRP HA 1 68 THR MG . . 6.720 4.297 3.560 5.016 . 0 0 "[ . 1 . 2]" 2
367 1 69 ARG HA 1 69 ARG HD2 . . 3.700 2.641 1.920 3.771 0.071 18 0 "[ . 1 . 2]" 2
368 1 69 ARG HA 1 69 ARG HD3 . . 3.700 3.169 1.857 3.862 0.162 10 0 "[ . 1 . 2]" 2
369 1 71 ARG HA 1 72 ASN HB2 . . 5.400 4.714 3.709 5.403 0.003 4 0 "[ . 1 . 2]" 2
370 1 71 ARG HA 1 72 ASN HB3 . . 5.400 4.822 4.439 5.487 0.087 7 0 "[ . 1 . 2]" 2
371 1 73 GLU HA 1 74 THR MG . . 6.720 5.181 3.754 6.044 . 0 0 "[ . 1 . 2]" 2
372 1 3 HIS QB 1 5 SER H . . 5.980 4.985 2.269 5.991 0.011 3 0 "[ . 1 . 2]" 2
373 1 4 MET QB 1 5 SER H . . 7.880 3.042 2.120 3.949 . 0 0 "[ . 1 . 2]" 2
374 1 5 SER HA 1 52 GLU H . . 5.400 4.498 4.232 4.748 . 0 0 "[ . 1 . 2]" 2
375 1 5 SER HA 1 53 ILE H . . 5.400 4.876 4.573 5.320 . 0 0 "[ . 1 . 2]" 2
376 1 6 ARG H 1 7 SER H . . 5.700 4.270 4.079 4.462 . 0 0 "[ . 1 . 2]" 2
377 1 6 ARG H 1 52 GLU H . . 5.700 2.845 2.605 3.098 . 0 0 "[ . 1 . 2]" 2
378 1 6 ARG H 1 52 GLU HB2 . . 5.400 4.198 3.910 4.438 . 0 0 "[ . 1 . 2]" 2
379 1 6 ARG H 1 52 GLU HB3 . . 5.400 2.637 2.353 2.855 . 0 0 "[ . 1 . 2]" 2
380 1 6 ARG H 1 52 GLU HG2 . . 5.400 4.364 3.835 5.411 0.011 16 0 "[ . 1 . 2]" 2
381 1 6 ARG H 1 52 GLU HG3 . . 5.400 5.255 4.751 5.464 0.064 13 0 "[ . 1 . 2]" 2
382 1 6 ARG H 1 53 ILE H . . 5.700 4.909 4.704 5.019 . 0 0 "[ . 1 . 2]" 2
383 1 6 ARG H 1 53 ILE HA . . 5.400 3.996 3.544 4.428 . 0 0 "[ . 1 . 2]" 2
384 1 6 ARG HA 1 52 GLU H . . 5.400 4.628 4.389 4.782 . 0 0 "[ . 1 . 2]" 2
385 1 7 SER H 1 8 VAL H . . 5.700 4.305 4.208 4.421 . 0 0 "[ . 1 . 2]" 2
386 1 7 SER H 1 8 VAL HA . . 5.400 5.061 4.903 5.250 . 0 0 "[ . 1 . 2]" 2
387 1 8 VAL H 1 9 TYR H . . 5.700 4.435 4.391 4.510 . 0 0 "[ . 1 . 2]" 2
388 1 8 VAL H 1 13 LEU MD1 . . 7.120 4.105 3.502 5.627 . 0 0 "[ . 1 . 2]" 2
389 1 8 VAL H 1 13 LEU MD2 . . 7.120 5.130 4.434 6.669 . 0 0 "[ . 1 . 2]" 2
390 1 8 VAL H 1 49 ARG HA . . 5.400 4.387 4.024 4.744 . 0 0 "[ . 1 . 2]" 2
391 1 8 VAL H 1 49 ARG HB2 . . 5.400 4.472 4.196 4.955 . 0 0 "[ . 1 . 2]" 2
392 1 8 VAL H 1 49 ARG HB3 . . 5.400 2.853 2.575 3.377 . 0 0 "[ . 1 . 2]" 2
393 1 8 VAL H 1 50 PHE QD . . 7.830 4.738 4.375 5.035 . 0 0 "[ . 1 . 2]" 2
394 1 8 VAL H 1 57 TRP HZ3 . . 5.700 2.981 2.631 3.290 . 0 0 "[ . 1 . 2]" 2
395 1 8 VAL H 1 57 TRP HH2 . . 5.700 4.201 3.852 4.753 . 0 0 "[ . 1 . 2]" 2
396 1 8 VAL HA 1 50 PHE H . . 5.400 4.725 4.484 4.908 . 0 0 "[ . 1 . 2]" 2
397 1 8 VAL HB 1 9 TYR H . . 3.700 2.205 1.936 3.333 . 0 0 "[ . 1 . 2]" 2
398 1 8 VAL HB 1 12 THR H . . 5.400 4.545 4.249 5.467 0.067 17 0 "[ . 1 . 2]" 2
399 1 9 TYR H 1 9 TYR HB2 . . 3.700 2.549 2.452 2.818 . 0 0 "[ . 1 . 2]" 2
400 1 9 TYR H 1 9 TYR HB3 . . 3.700 3.372 2.509 3.670 . 0 0 "[ . 1 . 2]" 2
401 1 9 TYR H 1 10 GLY H . . 5.700 4.540 4.501 4.586 . 0 0 "[ . 1 . 2]" 2
402 1 9 TYR H 1 11 THR H . . 5.700 5.390 5.057 5.705 0.005 3 0 "[ . 1 . 2]" 2
403 1 9 TYR H 1 12 THR H . . 5.700 3.822 3.546 4.106 . 0 0 "[ . 1 . 2]" 2
404 1 9 TYR H 1 12 THR HA . . 5.400 5.172 4.869 5.482 0.082 3 0 "[ . 1 . 2]" 2
405 1 9 TYR H 1 12 THR HB . . 5.400 2.735 2.409 2.936 . 0 0 "[ . 1 . 2]" 2
406 1 9 TYR H 1 13 LEU H . . 5.700 4.620 4.477 4.823 . 0 0 "[ . 1 . 2]" 2
407 1 9 TYR QE 1 49 ARG H . . 7.830 5.535 4.582 6.632 . 0 0 "[ . 1 . 2]" 2
408 1 9 TYR QD 1 10 GLY H . . 7.830 3.556 2.729 4.000 . 0 0 "[ . 1 . 2]" 2
409 1 9 TYR QD 1 49 ARG H . . 7.830 5.126 4.130 5.806 . 0 0 "[ . 1 . 2]" 2
410 1 10 GLY H 1 11 THR H . . 5.700 2.967 2.694 3.149 . 0 0 "[ . 1 . 2]" 2
411 1 10 GLY H 1 44 VAL MG1 . . 6.720 4.630 3.089 5.876 . 0 0 "[ . 1 . 2]" 2
412 1 10 GLY H 1 44 VAL MG2 . . 6.720 3.736 1.879 5.732 . 0 0 "[ . 1 . 2]" 2
413 1 10 GLY H 1 49 ARG HA . . 5.400 4.288 3.606 4.800 . 0 0 "[ . 1 . 2]" 2
414 1 10 GLY H 1 50 PHE QE . . 7.830 2.781 2.185 3.322 . 0 0 "[ . 1 . 2]" 2
415 1 10 GLY H 1 50 PHE QD . . 7.830 3.344 3.044 3.608 . 0 0 "[ . 1 . 2]" 2
416 1 10 GLY HA2 1 12 THR H . . 5.400 3.830 3.716 3.903 . 0 0 "[ . 1 . 2]" 2
417 1 10 GLY HA3 1 12 THR H . . 5.400 4.258 4.199 4.336 . 0 0 "[ . 1 . 2]" 2
418 1 11 THR H 1 12 THR H . . 4.400 2.755 2.665 2.839 . 0 0 "[ . 1 . 2]" 2
419 1 11 THR H 1 12 THR HB . . 5.400 5.230 5.144 5.311 . 0 0 "[ . 1 . 2]" 2
420 1 11 THR H 1 13 LEU H . . 5.700 4.213 4.056 4.286 . 0 0 "[ . 1 . 2]" 2
421 1 11 THR H 1 14 GLU H . . 5.700 4.746 4.584 4.940 . 0 0 "[ . 1 . 2]" 2
422 1 11 THR MG 1 12 THR H . . 5.020 4.156 4.044 4.303 . 0 0 "[ . 1 . 2]" 2
423 1 11 THR MG 1 13 LEU H . . 6.720 5.353 5.207 5.503 . 0 0 "[ . 1 . 2]" 2
424 1 12 THR H 1 12 THR HB . . 3.700 2.622 2.585 2.649 . 0 0 "[ . 1 . 2]" 2
425 1 12 THR H 1 13 LEU H . . 4.400 2.147 2.003 2.303 . 0 0 "[ . 1 . 2]" 2
426 1 12 THR H 1 13 LEU HA . . 5.400 4.889 4.746 5.061 . 0 0 "[ . 1 . 2]" 2
427 1 12 THR H 1 13 LEU HG . . 5.400 5.139 3.760 5.566 0.166 3 0 "[ . 1 . 2]" 2
428 1 12 THR H 1 15 ALA H . . 5.700 4.616 4.378 4.958 . 0 0 "[ . 1 . 2]" 2
429 1 12 THR H 1 16 ILE MD . . 6.720 5.803 5.410 6.709 . 0 0 "[ . 1 . 2]" 2
430 1 12 THR HB 1 13 LEU H . . 3.700 2.661 2.588 2.810 . 0 0 "[ . 1 . 2]" 2
431 1 12 THR HB 1 15 ALA H . . 5.400 5.296 5.086 5.439 0.039 1 0 "[ . 1 . 2]" 2
432 1 12 THR MG 1 13 LEU H . . 6.720 3.861 3.733 3.965 . 0 0 "[ . 1 . 2]" 2
433 1 12 THR MG 1 15 ALA H . . 6.720 4.508 4.264 4.644 . 0 0 "[ . 1 . 2]" 2
434 1 12 THR MG 1 16 ILE H . . 6.720 3.738 3.549 3.870 . 0 0 "[ . 1 . 2]" 2
435 1 13 LEU H 1 13 LEU HG . . 3.700 3.205 2.024 3.693 . 0 0 "[ . 1 . 2]" 2
436 1 13 LEU H 1 16 ILE H . . 5.700 4.696 4.542 4.812 . 0 0 "[ . 1 . 2]" 2
437 1 13 LEU H 1 16 ILE HB . . 5.400 5.094 4.657 5.291 . 0 0 "[ . 1 . 2]" 2
438 1 13 LEU H 1 16 ILE MD . . 6.720 5.058 4.571 6.117 . 0 0 "[ . 1 . 2]" 2
439 1 13 LEU H 1 17 THR H . . 5.700 5.458 5.093 5.657 . 0 0 "[ . 1 . 2]" 2
440 1 13 LEU HA 1 15 ALA H . . 5.400 4.019 3.748 4.167 . 0 0 "[ . 1 . 2]" 2
441 1 13 LEU HA 1 16 ILE H . . 3.700 3.447 3.248 3.626 . 0 0 "[ . 1 . 2]" 2
442 1 13 LEU HA 1 17 THR H . . 3.700 2.932 2.519 3.117 . 0 0 "[ . 1 . 2]" 2
443 1 13 LEU HA 1 18 LYS H . . 5.400 4.761 4.298 5.146 . 0 0 "[ . 1 . 2]" 2
444 1 13 LEU HA 1 19 LYS H . . 5.400 5.472 5.262 5.531 0.131 16 0 "[ . 1 . 2]" 2
445 1 13 LEU HA 1 57 TRP HE1 . . 5.400 4.942 4.250 5.456 0.056 4 0 "[ . 1 . 2]" 2
446 1 13 LEU HB2 1 17 THR H . . 5.400 5.323 4.912 5.546 0.146 7 0 "[ . 1 . 2]" 2
447 1 13 LEU HB3 1 17 THR H . . 5.400 4.337 3.927 4.952 . 0 0 "[ . 1 . 2]" 2
448 1 13 LEU HG 1 14 GLU H . . 5.400 4.723 3.954 5.010 . 0 0 "[ . 1 . 2]" 2
449 1 13 LEU HG 1 17 THR H . . 5.400 5.266 4.959 5.570 0.170 2 0 "[ . 1 . 2]" 2
450 1 13 LEU HG 1 50 PHE H . . 5.400 5.377 5.072 5.493 0.093 14 0 "[ . 1 . 2]" 2
451 1 13 LEU MD1 1 14 GLU H . . 6.720 3.991 3.771 4.326 . 0 0 "[ . 1 . 2]" 2
452 1 13 LEU MD1 1 16 ILE H . . 7.120 5.823 5.370 6.650 . 0 0 "[ . 1 . 2]" 2
453 1 13 LEU MD1 1 17 THR H . . 7.120 5.641 5.543 5.765 . 0 0 "[ . 1 . 2]" 2
454 1 13 LEU MD1 1 51 HIS H . . 7.120 5.254 4.965 5.606 . 0 0 "[ . 1 . 2]" 2
455 1 13 LEU MD1 1 57 TRP HE1 . . 7.120 5.520 4.733 5.905 . 0 0 "[ . 1 . 2]" 2
456 1 13 LEU MD2 1 14 GLU H . . 6.720 4.573 3.925 4.767 . 0 0 "[ . 1 . 2]" 2
457 1 13 LEU MD2 1 16 ILE H . . 7.120 6.019 4.540 6.675 . 0 0 "[ . 1 . 2]" 2
458 1 13 LEU MD2 1 17 THR H . . 7.120 4.953 3.005 5.674 . 0 0 "[ . 1 . 2]" 2
459 1 13 LEU MD2 1 51 HIS H . . 7.120 5.020 4.441 6.845 . 0 0 "[ . 1 . 2]" 2
460 1 13 LEU MD2 1 57 TRP HE1 . . 7.120 3.844 2.850 4.200 . 0 0 "[ . 1 . 2]" 2
461 1 14 GLU H 1 15 ALA H . . 4.400 2.735 2.628 2.891 . 0 0 "[ . 1 . 2]" 2
462 1 14 GLU H 1 16 ILE H . . 5.700 4.489 4.287 4.689 . 0 0 "[ . 1 . 2]" 2
463 1 14 GLU H 1 17 THR H . . 5.700 4.919 4.784 5.021 . 0 0 "[ . 1 . 2]" 2
464 1 14 GLU HA 1 17 THR H . . 5.400 4.582 4.286 5.027 . 0 0 "[ . 1 . 2]" 2
465 1 14 GLU HA 1 19 LYS H . . 3.700 2.913 2.284 3.699 . 0 0 "[ . 1 . 2]" 2
466 1 14 GLU HA 1 20 SER H . . 5.400 4.586 4.232 5.228 . 0 0 "[ . 1 . 2]" 2
467 1 14 GLU HA 1 21 LEU H . . 5.400 4.719 4.195 5.200 . 0 0 "[ . 1 . 2]" 2
468 1 14 GLU HG2 1 15 ALA H . . 5.400 4.654 4.165 5.034 . 0 0 "[ . 1 . 2]" 2
469 1 14 GLU HG2 1 21 LEU H . . 5.400 3.205 2.325 4.423 . 0 0 "[ . 1 . 2]" 2
470 1 14 GLU HG3 1 15 ALA H . . 5.400 4.543 4.198 5.224 . 0 0 "[ . 1 . 2]" 2
471 1 14 GLU HG3 1 21 LEU H . . 5.400 4.145 3.481 5.058 . 0 0 "[ . 1 . 2]" 2
472 1 15 ALA H 1 16 ILE H . . 4.400 2.529 2.396 2.643 . 0 0 "[ . 1 . 2]" 2
473 1 15 ALA H 1 16 ILE HA . . 5.400 5.158 5.044 5.234 . 0 0 "[ . 1 . 2]" 2
474 1 15 ALA H 1 16 ILE HB . . 5.400 4.724 4.552 4.855 . 0 0 "[ . 1 . 2]" 2
475 1 15 ALA H 1 16 ILE MD . . 6.720 5.297 5.053 5.460 . 0 0 "[ . 1 . 2]" 2
476 1 15 ALA H 1 17 THR H . . 5.700 4.171 3.995 4.288 . 0 0 "[ . 1 . 2]" 2
477 1 15 ALA H 1 17 THR MG . . 6.720 6.704 6.561 6.812 0.092 7 0 "[ . 1 . 2]" 2
478 1 15 ALA HA 1 18 LYS H . . 3.700 3.743 3.650 3.811 0.111 1 0 "[ . 1 . 2]" 2
479 1 15 ALA MB 1 16 ILE H . . 5.020 2.381 2.203 2.610 . 0 0 "[ . 1 . 2]" 2
480 1 16 ILE H 1 16 ILE HB . . 3.700 2.546 2.511 2.638 . 0 0 "[ . 1 . 2]" 2
481 1 16 ILE H 1 16 ILE MD . . 5.020 3.588 3.114 3.788 . 0 0 "[ . 1 . 2]" 2
482 1 16 ILE H 1 17 THR H . . 4.400 2.800 2.689 2.933 . 0 0 "[ . 1 . 2]" 2
483 1 16 ILE H 1 18 LYS H . . 5.700 3.614 3.476 3.752 . 0 0 "[ . 1 . 2]" 2
484 1 16 ILE HB 1 17 THR H . . 3.700 2.427 2.151 2.698 . 0 0 "[ . 1 . 2]" 2
485 1 16 ILE HB 1 57 TRP HE1 . . 5.400 5.199 4.533 5.464 0.064 7 0 "[ . 1 . 2]" 2
486 1 16 ILE MG 1 17 THR H . . 6.720 3.188 2.899 3.420 . 0 0 "[ . 1 . 2]" 2
487 1 16 ILE MG 1 18 LYS H . . 6.720 4.707 4.503 4.891 . 0 0 "[ . 1 . 2]" 2
488 1 16 ILE MG 1 57 TRP HE1 . . 6.720 4.410 3.800 4.773 . 0 0 "[ . 1 . 2]" 2
489 1 16 ILE MD 1 17 THR H . . 6.720 4.534 4.293 4.705 . 0 0 "[ . 1 . 2]" 2
490 1 17 THR H 1 18 LYS H . . 5.700 2.341 2.006 2.527 . 0 0 "[ . 1 . 2]" 2
491 1 17 THR HB 1 57 TRP HE1 . . 5.400 4.120 3.242 5.363 . 0 0 "[ . 1 . 2]" 2
492 1 17 THR MG 1 18 LYS H . . 6.720 4.013 3.909 4.174 . 0 0 "[ . 1 . 2]" 2
493 1 17 THR MG 1 19 LYS H . . 6.720 3.394 2.810 3.912 . 0 0 "[ . 1 . 2]" 2
494 1 17 THR MG 1 20 SER H . . 6.720 5.963 5.418 6.318 . 0 0 "[ . 1 . 2]" 2
495 1 17 THR MG 1 57 TRP HE1 . . 6.720 2.924 2.422 3.724 . 0 0 "[ . 1 . 2]" 2
496 1 18 LYS H 1 19 LYS HA . . 5.400 5.170 5.041 5.360 . 0 0 "[ . 1 . 2]" 2
497 1 18 LYS HB2 1 19 LYS H . . 5.400 4.250 3.980 4.579 . 0 0 "[ . 1 . 2]" 2
498 1 18 LYS HB3 1 19 LYS H . . 5.400 4.253 3.860 4.449 . 0 0 "[ . 1 . 2]" 2
499 1 19 LYS H 1 19 LYS HD2 . . 5.400 4.972 4.269 5.452 0.052 3 0 "[ . 1 . 2]" 2
500 1 19 LYS H 1 19 LYS HD3 . . 5.400 4.625 4.110 5.428 0.028 1 0 "[ . 1 . 2]" 2
501 1 19 LYS H 1 20 SER H . . 5.700 4.209 4.060 4.381 . 0 0 "[ . 1 . 2]" 2
502 1 19 LYS H 1 20 SER HA . . 5.400 4.653 4.301 5.052 . 0 0 "[ . 1 . 2]" 2
503 1 19 LYS HA 1 20 SER H . . 2.900 2.146 2.077 2.261 . 0 0 "[ . 1 . 2]" 2
504 1 19 LYS HD2 1 20 SER H . . 5.400 4.092 3.085 5.525 0.125 3 0 "[ . 1 . 2]" 2
505 1 19 LYS HD3 1 20 SER H . . 5.400 4.173 3.589 5.227 . 0 0 "[ . 1 . 2]" 2
506 1 20 SER H 1 20 SER HB2 . . 3.700 2.577 2.376 3.497 . 0 0 "[ . 1 . 2]" 2
507 1 20 SER H 1 20 SER HB3 . . 3.700 3.328 2.440 3.617 . 0 0 "[ . 1 . 2]" 2
508 1 20 SER H 1 21 LEU H . . 5.700 4.510 4.405 4.586 . 0 0 "[ . 1 . 2]" 2
509 1 20 SER H 1 22 TYR H . . 5.700 5.072 4.679 5.357 . 0 0 "[ . 1 . 2]" 2
510 1 20 SER H 1 23 ASP H . . 5.700 4.095 3.678 4.402 . 0 0 "[ . 1 . 2]" 2
511 1 20 SER H 1 23 ASP HB2 . . 5.400 3.698 2.691 4.373 . 0 0 "[ . 1 . 2]" 2
512 1 20 SER H 1 23 ASP HB3 . . 5.400 3.044 2.244 3.572 . 0 0 "[ . 1 . 2]" 2
513 1 20 SER HA 1 21 LEU H . . 2.900 2.235 2.042 2.397 . 0 0 "[ . 1 . 2]" 2
514 1 20 SER HA 1 22 TYR H . . 5.400 4.132 3.846 4.339 . 0 0 "[ . 1 . 2]" 2
515 1 20 SER HA 1 23 ASP H . . 5.400 4.632 4.309 4.855 . 0 0 "[ . 1 . 2]" 2
516 1 20 SER HB2 1 21 LEU H . . 3.700 3.598 2.600 3.755 0.055 5 0 "[ . 1 . 2]" 2
517 1 20 SER HB2 1 22 TYR H . . 5.400 3.325 2.603 4.475 . 0 0 "[ . 1 . 2]" 2
518 1 20 SER HB3 1 21 LEU H . . 3.700 2.865 2.256 3.740 0.040 4 0 "[ . 1 . 2]" 2
519 1 20 SER HB3 1 22 TYR H . . 5.400 3.100 2.506 4.442 . 0 0 "[ . 1 . 2]" 2
520 1 21 LEU H 1 21 LEU HB2 . . 3.700 2.558 2.411 2.746 . 0 0 "[ . 1 . 2]" 2
521 1 21 LEU H 1 21 LEU HB3 . . 3.700 3.612 3.563 3.640 . 0 0 "[ . 1 . 2]" 2
522 1 21 LEU H 1 21 LEU HG . . 3.700 2.201 1.923 2.455 . 0 0 "[ . 1 . 2]" 2
523 1 21 LEU H 1 22 TYR H . . 4.400 2.726 2.225 3.053 . 0 0 "[ . 1 . 2]" 2
524 1 21 LEU H 1 22 TYR HB2 . . 5.400 5.019 3.990 5.364 . 0 0 "[ . 1 . 2]" 2
525 1 21 LEU H 1 22 TYR HB3 . . 5.400 5.178 4.863 5.576 0.176 16 0 "[ . 1 . 2]" 2
526 1 21 LEU H 1 22 TYR QD . . 7.530 6.023 2.917 6.732 . 0 0 "[ . 1 . 2]" 2
527 1 21 LEU H 1 23 ASP H . . 5.700 4.243 3.803 4.490 . 0 0 "[ . 1 . 2]" 2
528 1 21 LEU H 1 24 LEU H . . 5.700 4.805 4.631 5.152 . 0 0 "[ . 1 . 2]" 2
529 1 21 LEU HA 1 23 ASP H . . 5.400 4.122 3.599 4.474 . 0 0 "[ . 1 . 2]" 2
530 1 21 LEU HA 1 24 LEU H . . 5.400 3.545 3.390 3.892 . 0 0 "[ . 1 . 2]" 2
531 1 21 LEU HB2 1 22 TYR H . . 3.700 2.716 2.188 3.036 . 0 0 "[ . 1 . 2]" 2
532 1 21 LEU HB3 1 22 TYR H . . 3.700 3.683 3.374 3.760 0.060 9 0 "[ . 1 . 2]" 2
533 1 21 LEU HG 1 22 TYR H . . 5.400 4.322 3.912 4.693 . 0 0 "[ . 1 . 2]" 2
534 1 22 TYR H 1 22 TYR HB2 . . 3.700 2.521 2.145 2.632 . 0 0 "[ . 1 . 2]" 2
535 1 22 TYR H 1 22 TYR HB3 . . 3.700 2.699 2.503 3.477 . 0 0 "[ . 1 . 2]" 2
536 1 22 TYR H 1 23 ASP H . . 4.400 2.589 2.356 2.771 . 0 0 "[ . 1 . 2]" 2
537 1 22 TYR H 1 23 ASP HA . . 5.400 5.268 5.057 5.409 0.009 1 0 "[ . 1 . 2]" 2
538 1 22 TYR H 1 24 LEU H . . 5.700 4.098 3.920 4.268 . 0 0 "[ . 1 . 2]" 2
539 1 22 TYR HA 1 24 LEU H . . 5.400 4.712 4.604 4.959 . 0 0 "[ . 1 . 2]" 2
540 1 22 TYR QD 1 23 ASP H . . 7.530 3.901 3.622 4.583 . 0 0 "[ . 1 . 2]" 2
541 1 23 ASP H 1 23 ASP HB2 . . 3.700 2.651 2.474 3.057 . 0 0 "[ . 1 . 2]" 2
542 1 23 ASP H 1 23 ASP HB3 . . 3.700 2.340 2.211 2.515 . 0 0 "[ . 1 . 2]" 2
543 1 23 ASP H 1 24 LEU H . . 4.400 2.284 1.940 2.404 . 0 0 "[ . 1 . 2]" 2
544 1 23 ASP H 1 24 LEU HA . . 5.400 4.937 4.633 5.062 . 0 0 "[ . 1 . 2]" 2
545 1 23 ASP HB2 1 24 LEU H . . 3.700 3.718 3.516 3.763 0.063 6 0 "[ . 1 . 2]" 2
546 1 23 ASP HB3 1 24 LEU H . . 3.700 2.383 2.244 2.428 . 0 0 "[ . 1 . 2]" 2
547 1 24 LEU H 1 25 SER HA . . 5.400 5.350 5.095 5.447 0.047 16 0 "[ . 1 . 2]" 2
548 1 24 LEU HA 1 26 ILE H . . 5.400 5.072 4.706 5.452 0.052 13 0 "[ . 1 . 2]" 2
549 1 24 LEU HG 1 57 TRP HE1 . . 5.400 5.272 4.163 5.503 0.103 7 0 "[ . 1 . 2]" 2
550 1 25 SER HA 1 26 ILE H . . 2.900 2.129 2.007 2.228 . 0 0 "[ . 1 . 2]" 2
551 1 26 ILE H 1 27 ARG H . . 5.700 4.499 4.348 4.615 . 0 0 "[ . 1 . 2]" 2
552 1 26 ILE H 1 40 LYS HE2 . . 5.400 3.390 2.611 4.663 . 0 0 "[ . 1 . 2]" 2
553 1 26 ILE H 1 40 LYS HE3 . . 5.400 4.369 3.140 5.311 . 0 0 "[ . 1 . 2]" 2
554 1 26 ILE HA 1 27 ARG H . . 2.900 2.322 2.184 2.521 . 0 0 "[ . 1 . 2]" 2
555 1 26 ILE HB 1 58 THR H . . 5.400 5.551 5.516 5.621 0.221 16 0 "[ . 1 . 2]" 2
556 1 26 ILE HB 1 59 GLY H . . 5.400 5.146 4.576 5.409 0.009 14 0 "[ . 1 . 2]" 2
557 1 26 ILE MG 1 27 ARG H . . 4.220 2.500 2.127 2.827 . 0 0 "[ . 1 . 2]" 2
558 1 26 ILE MG 1 28 CYS H . . 7.120 4.920 4.534 5.241 . 0 0 "[ . 1 . 2]" 2
559 1 26 ILE MG 1 35 LEU H . . 7.120 4.521 4.141 4.932 . 0 0 "[ . 1 . 2]" 2
560 1 26 ILE MG 1 51 HIS H . . 6.720 3.963 3.644 4.368 . 0 0 "[ . 1 . 2]" 2
561 1 26 ILE MG 1 57 TRP H . . 6.720 4.308 4.091 4.689 . 0 0 "[ . 1 . 2]" 2
562 1 26 ILE MG 1 58 THR H . . 6.720 2.635 2.483 2.914 . 0 0 "[ . 1 . 2]" 2
563 1 26 ILE MG 1 59 GLY H . . 5.020 2.858 2.587 3.063 . 0 0 "[ . 1 . 2]" 2
564 1 26 ILE MD 1 58 THR H . . 6.720 4.566 3.773 5.784 . 0 0 "[ . 1 . 2]" 2
565 1 26 ILE MD 1 59 GLY H . . 6.720 5.671 4.898 6.687 . 0 0 "[ . 1 . 2]" 2
566 1 27 ARG H 1 27 ARG HD2 . . 5.400 4.773 4.450 5.605 0.205 13 0 "[ . 1 . 2]" 2
567 1 27 ARG H 1 27 ARG HD3 . . 5.400 5.242 4.817 5.424 0.024 15 0 "[ . 1 . 2]" 2
568 1 27 ARG H 1 28 CYS H . . 5.700 4.458 4.376 4.513 . 0 0 "[ . 1 . 2]" 2
569 1 27 ARG H 1 58 THR HA . . 5.700 2.592 2.078 3.582 . 0 0 "[ . 1 . 2]" 2
570 1 27 ARG H 1 58 THR MG . . 6.720 3.557 2.644 4.495 . 0 0 "[ . 1 . 2]" 2
571 1 27 ARG H 1 59 GLY H . . 5.700 4.011 3.648 4.508 . 0 0 "[ . 1 . 2]" 2
572 1 27 ARG HA 1 35 LEU H . . 3.700 3.081 2.724 3.494 . 0 0 "[ . 1 . 2]" 2
573 1 27 ARG HB2 1 32 GLN H . . 5.400 5.130 4.726 5.466 0.066 13 0 "[ . 1 . 2]" 2
574 1 27 ARG HB2 1 33 ARG H . . 5.400 5.220 4.508 5.442 0.042 15 0 "[ . 1 . 2]" 2
575 1 27 ARG HB3 1 32 GLN H . . 5.400 3.956 3.594 5.485 0.085 13 0 "[ . 1 . 2]" 2
576 1 27 ARG HB3 1 33 ARG H . . 5.400 3.644 2.856 5.516 0.116 13 0 "[ . 1 . 2]" 2
577 1 27 ARG HD2 1 28 CYS H . . 5.400 5.241 4.375 5.450 0.050 6 0 "[ . 1 . 2]" 2
578 1 27 ARG HD3 1 28 CYS H . . 5.400 4.688 4.252 5.608 0.208 20 0 "[ . 1 . 2]" 2
579 1 28 CYS H 1 28 CYS HB2 . . 3.700 2.780 2.571 3.684 . 0 0 "[ . 1 . 2]" 2
580 1 28 CYS H 1 28 CYS HB3 . . 3.700 2.425 2.314 2.677 . 0 0 "[ . 1 . 2]" 2
581 1 28 CYS H 1 29 HIS H . . 5.700 4.487 4.360 4.584 . 0 0 "[ . 1 . 2]" 2
582 1 28 CYS H 1 30 ARG H . . 5.700 4.967 4.459 5.241 . 0 0 "[ . 1 . 2]" 2
583 1 28 CYS H 1 31 CYS H . . 5.700 4.485 4.271 4.623 . 0 0 "[ . 1 . 2]" 2
584 1 28 CYS H 1 32 GLN H . . 5.700 3.790 3.389 4.168 . 0 0 "[ . 1 . 2]" 2
585 1 28 CYS H 1 32 GLN HA . . 5.400 3.952 3.206 4.871 . 0 0 "[ . 1 . 2]" 2
586 1 28 CYS H 1 33 ARG H . . 5.700 3.220 2.856 3.491 . 0 0 "[ . 1 . 2]" 2
587 1 28 CYS H 1 35 LEU H . . 5.700 4.367 3.930 4.800 . 0 0 "[ . 1 . 2]" 2
588 1 28 CYS H 1 35 LEU HA . . 5.400 5.147 4.870 5.480 0.080 20 0 "[ . 1 . 2]" 2
589 1 28 CYS H 1 35 LEU MD1 . . 6.720 3.340 2.447 5.141 . 0 0 "[ . 1 . 2]" 2
590 1 28 CYS H 1 35 LEU MD2 . . 6.720 4.454 2.741 5.638 . 0 0 "[ . 1 . 2]" 2
591 1 28 CYS H 1 59 GLY H . . 5.700 4.643 4.454 5.075 . 0 0 "[ . 1 . 2]" 2
592 1 28 CYS H 1 60 GLN HA . . 5.400 5.047 4.524 5.383 . 0 0 "[ . 1 . 2]" 2
593 1 28 CYS H 1 61 CYS H . . 5.700 4.718 4.129 5.341 . 0 0 "[ . 1 . 2]" 2
594 1 28 CYS HA 1 30 ARG H . . 5.400 3.683 3.532 3.953 . 0 0 "[ . 1 . 2]" 2
595 1 28 CYS HA 1 32 GLN H . . 5.400 4.763 4.517 5.219 . 0 0 "[ . 1 . 2]" 2
596 1 28 CYS HA 1 60 GLN H . . 5.400 4.254 3.974 5.135 . 0 0 "[ . 1 . 2]" 2
597 1 28 CYS HA 1 61 CYS H . . 3.700 3.432 3.033 3.849 0.149 9 0 "[ . 1 . 2]" 2
598 1 28 CYS HB2 1 29 HIS H . . 5.400 4.097 2.855 4.455 . 0 0 "[ . 1 . 2]" 2
599 1 28 CYS HB3 1 29 HIS H . . 5.400 4.199 4.116 4.343 . 0 0 "[ . 1 . 2]" 2
600 1 29 HIS H 1 30 ARG H . . 5.700 2.681 2.493 3.077 . 0 0 "[ . 1 . 2]" 2
601 1 29 HIS H 1 31 CYS H . . 5.700 4.266 4.041 4.888 . 0 0 "[ . 1 . 2]" 2
602 1 29 HIS H 1 32 GLN H . . 5.700 4.773 4.629 5.083 . 0 0 "[ . 1 . 2]" 2
603 1 29 HIS H 1 60 GLN HA . . 5.400 3.367 2.810 4.431 . 0 0 "[ . 1 . 2]" 2
604 1 29 HIS H 1 61 CYS H . . 5.700 4.818 4.226 5.657 . 0 0 "[ . 1 . 2]" 2
605 1 30 ARG H 1 30 ARG HB2 . . 3.700 2.755 2.623 3.045 . 0 0 "[ . 1 . 2]" 2
606 1 30 ARG H 1 30 ARG HB3 . . 3.700 2.627 2.387 3.761 0.061 15 0 "[ . 1 . 2]" 2
607 1 30 ARG H 1 31 CYS H . . 4.400 2.095 2.010 2.180 . 0 0 "[ . 1 . 2]" 2
608 1 30 ARG H 1 32 GLN H . . 5.700 3.461 2.618 3.791 . 0 0 "[ . 1 . 2]" 2
609 1 30 ARG HA 1 32 GLN H . . 5.400 4.777 4.557 5.015 . 0 0 "[ . 1 . 2]" 2
610 1 31 CYS H 1 32 GLN H . . 4.400 2.041 1.885 2.195 . 0 0 "[ . 1 . 2]" 2
611 1 31 CYS H 1 33 ARG H . . 5.400 3.635 3.260 3.780 . 0 0 "[ . 1 . 2]" 2
612 1 32 GLN H 1 32 GLN HA . . 2.900 2.174 2.086 2.219 . 0 0 "[ . 1 . 2]" 2
613 1 32 GLN H 1 32 GLN HE21 . . 5.700 4.505 3.924 5.775 0.075 13 0 "[ . 1 . 2]" 2
614 1 32 GLN H 1 32 GLN HE22 . . 5.700 4.818 3.961 5.803 0.103 13 0 "[ . 1 . 2]" 2
615 1 32 GLN H 1 33 ARG H . . 5.700 2.392 2.271 2.543 . 0 0 "[ . 1 . 2]" 2
616 1 32 GLN H 1 33 ARG HB2 . . 5.800 4.442 4.181 4.555 . 0 0 "[ . 1 . 2]" 2
617 1 32 GLN H 1 33 ARG HB3 . . 5.800 5.827 5.321 5.917 0.117 10 0 "[ . 1 . 2]" 2
618 1 32 GLN HA 1 32 GLN HE21 . . 5.400 4.144 3.735 4.777 . 0 0 "[ . 1 . 2]" 2
619 1 32 GLN HA 1 32 GLN HE22 . . 5.400 4.414 3.742 5.560 0.160 20 0 "[ . 1 . 2]" 2
620 1 32 GLN HE22 1 32 GLN HG2 . . 3.700 3.628 3.438 3.810 0.110 20 0 "[ . 1 . 2]" 2
621 1 32 GLN HE22 1 32 GLN HG3 . . 3.700 3.566 3.312 3.752 0.052 4 0 "[ . 1 . 2]" 2
622 1 33 ARG H 1 33 ARG HD2 . . 5.400 4.108 3.023 5.560 0.160 15 0 "[ . 1 . 2]" 2
623 1 33 ARG H 1 33 ARG HD3 . . 5.400 3.963 2.715 5.423 0.023 6 0 "[ . 1 . 2]" 2
624 1 33 ARG H 1 34 PRO HD2 . . 5.400 5.122 4.791 5.350 . 0 0 "[ . 1 . 2]" 2
625 1 33 ARG H 1 34 PRO HD3 . . 5.400 4.749 4.345 5.089 . 0 0 "[ . 1 . 2]" 2
626 1 34 PRO HA 1 35 LEU H . . 2.900 2.183 2.085 2.332 . 0 0 "[ . 1 . 2]" 2
627 1 35 LEU H 1 36 GLY H . . 5.700 4.507 4.287 4.600 . 0 0 "[ . 1 . 2]" 2
628 1 35 LEU HA 1 36 GLY H . . 2.900 2.136 1.884 2.259 . 0 0 "[ . 1 . 2]" 2
629 1 35 LEU HA 1 39 GLU H . . 5.400 5.316 4.776 5.483 0.083 16 0 "[ . 1 . 2]" 2
630 1 35 LEU HA 1 40 LYS H . . 5.400 5.335 4.975 5.517 0.117 20 0 "[ . 1 . 2]" 2
631 1 35 LEU MD1 1 59 GLY H . . 6.720 3.499 2.961 4.229 . 0 0 "[ . 1 . 2]" 2
632 1 35 LEU MD2 1 59 GLY H . . 6.720 4.081 3.336 4.657 . 0 0 "[ . 1 . 2]" 2
633 1 36 GLY H 1 37 PRO HD2 . . 5.400 4.713 4.038 5.239 . 0 0 "[ . 1 . 2]" 2
634 1 36 GLY H 1 37 PRO HD3 . . 5.400 4.769 4.439 5.170 . 0 0 "[ . 1 . 2]" 2
635 1 36 GLY H 1 39 GLU H . . 5.700 3.843 3.400 4.134 . 0 0 "[ . 1 . 2]" 2
636 1 36 GLY H 1 39 GLU HB2 . . 5.400 2.914 2.261 4.119 . 0 0 "[ . 1 . 2]" 2
637 1 36 GLY H 1 39 GLU HB3 . . 5.400 4.161 3.420 5.419 0.019 15 0 "[ . 1 . 2]" 2
638 1 36 GLY H 1 40 LYS H . . 5.700 4.540 4.160 4.952 . 0 0 "[ . 1 . 2]" 2
639 1 37 PRO HD2 1 38 GLU H . . 5.400 2.526 2.118 2.972 . 0 0 "[ . 1 . 2]" 2
640 1 37 PRO HD3 1 38 GLU H . . 5.400 3.870 3.571 4.255 . 0 0 "[ . 1 . 2]" 2
641 1 38 GLU H 1 38 GLU HB2 . . 3.700 2.748 2.162 3.709 0.009 4 0 "[ . 1 . 2]" 2
642 1 38 GLU H 1 38 GLU HB3 . . 3.700 3.028 2.291 3.611 . 0 0 "[ . 1 . 2]" 2
643 1 38 GLU H 1 39 GLU H . . 4.400 2.576 2.251 2.870 . 0 0 "[ . 1 . 2]" 2
644 1 38 GLU H 1 40 LYS H . . 5.700 4.075 3.693 4.327 . 0 0 "[ . 1 . 2]" 2
645 1 38 GLU HA 1 41 GLN H . . 3.700 3.459 2.869 3.802 0.102 19 0 "[ . 1 . 2]" 2
646 1 39 GLU H 1 40 LYS H . . 4.400 2.640 2.444 2.866 . 0 0 "[ . 1 . 2]" 2
647 1 39 GLU H 1 41 GLN H . . 5.700 4.044 3.727 4.316 . 0 0 "[ . 1 . 2]" 2
648 1 39 GLU HA 1 62 ALA H . . 5.400 3.251 1.855 5.262 . 0 0 "[ . 1 . 2]" 2
649 1 40 LYS H 1 41 GLN H . . 4.400 2.666 2.392 2.912 . 0 0 "[ . 1 . 2]" 2
650 1 40 LYS H 1 41 GLN HA . . 5.400 5.287 5.048 5.466 0.066 20 0 "[ . 1 . 2]" 2
651 1 40 LYS H 1 50 PHE QE . . 7.830 5.558 4.668 6.428 . 0 0 "[ . 1 . 2]" 2
652 1 40 LYS HA 1 43 LEU H . . 5.400 3.646 3.303 4.014 . 0 0 "[ . 1 . 2]" 2
653 1 41 GLN H 1 41 GLN HE21 . . 5.700 4.810 4.269 5.153 . 0 0 "[ . 1 . 2]" 2
654 1 41 GLN H 1 41 GLN HE22 . . 5.700 5.712 5.403 5.891 0.191 15 0 "[ . 1 . 2]" 2
655 1 41 GLN H 1 42 LYS H . . 5.700 2.699 2.369 2.915 . 0 0 "[ . 1 . 2]" 2
656 1 41 GLN H 1 43 LEU H . . 5.700 4.167 3.854 4.337 . 0 0 "[ . 1 . 2]" 2
657 1 41 GLN HA 1 41 GLN HE21 . . 5.400 2.508 1.787 3.532 . 0 0 "[ . 1 . 2]" 2
658 1 41 GLN HA 1 41 GLN HE22 . . 5.400 3.405 3.005 4.772 . 0 0 "[ . 1 . 2]" 2
659 1 41 GLN HA 1 44 VAL H . . 3.700 3.420 3.067 3.827 0.127 15 0 "[ . 1 . 2]" 2
660 1 41 GLN HA 1 45 ASP H . . 5.400 3.805 3.576 3.992 . 0 0 "[ . 1 . 2]" 2
661 1 41 GLN HB2 1 41 GLN HE22 . . 5.400 4.637 3.416 5.105 . 0 0 "[ . 1 . 2]" 2
662 1 41 GLN HB3 1 41 GLN HE22 . . 5.400 4.378 3.482 5.041 . 0 0 "[ . 1 . 2]" 2
663 1 41 GLN HE21 1 44 VAL H . . 5.700 4.684 3.859 5.364 . 0 0 "[ . 1 . 2]" 2
664 1 41 GLN HE21 1 44 VAL MG1 . . 6.720 3.918 2.931 5.192 . 0 0 "[ . 1 . 2]" 2
665 1 41 GLN HE21 1 44 VAL MG2 . . 6.720 4.329 2.698 5.616 . 0 0 "[ . 1 . 2]" 2
666 1 41 GLN HE21 1 45 ASP H . . 5.700 3.759 3.012 4.575 . 0 0 "[ . 1 . 2]" 2
667 1 41 GLN HE21 1 45 ASP HA . . 5.400 4.242 3.451 5.488 0.088 19 0 "[ . 1 . 2]" 2
668 1 41 GLN HE22 1 44 VAL H . . 5.700 5.454 4.917 5.787 0.087 10 0 "[ . 1 . 2]" 2
669 1 41 GLN HE22 1 44 VAL MG1 . . 6.720 3.692 2.491 6.031 . 0 0 "[ . 1 . 2]" 2
670 1 41 GLN HE22 1 44 VAL MG2 . . 6.720 4.487 3.282 6.561 . 0 0 "[ . 1 . 2]" 2
671 1 41 GLN HE22 1 45 ASP H . . 5.700 4.597 4.008 5.386 . 0 0 "[ . 1 . 2]" 2
672 1 41 GLN HE22 1 45 ASP HA . . 5.400 4.661 3.667 5.425 0.025 1 0 "[ . 1 . 2]" 2
673 1 42 LYS H 1 43 LEU H . . 4.400 2.510 2.380 2.644 . 0 0 "[ . 1 . 2]" 2
674 1 42 LYS H 1 43 LEU HG . . 3.700 3.786 3.754 3.831 0.131 20 0 "[ . 1 . 2]" 2
675 1 42 LYS H 1 44 VAL H . . 5.700 4.054 3.914 4.191 . 0 0 "[ . 1 . 2]" 2
676 1 42 LYS H 1 45 ASP H . . 5.700 4.417 4.333 4.523 . 0 0 "[ . 1 . 2]" 2
677 1 42 LYS H 1 45 ASP HB2 . . 5.400 4.771 4.124 5.304 . 0 0 "[ . 1 . 2]" 2
678 1 42 LYS H 1 45 ASP HB3 . . 5.400 4.762 4.599 5.430 0.030 20 0 "[ . 1 . 2]" 2
679 1 43 LEU H 1 43 LEU HB2 . . 3.700 2.564 2.513 2.616 . 0 0 "[ . 1 . 2]" 2
680 1 43 LEU H 1 43 LEU HB3 . . 3.700 3.588 3.560 3.629 . 0 0 "[ . 1 . 2]" 2
681 1 43 LEU H 1 43 LEU HG . . 3.700 1.932 1.867 2.010 . 0 0 "[ . 1 . 2]" 2
682 1 43 LEU H 1 43 LEU MD1 . . 5.020 3.498 3.399 3.627 . 0 0 "[ . 1 . 2]" 2
683 1 43 LEU H 1 43 LEU MD2 . . 5.020 3.123 2.959 3.297 . 0 0 "[ . 1 . 2]" 2
684 1 43 LEU H 1 44 VAL H . . 4.400 2.417 2.235 2.630 . 0 0 "[ . 1 . 2]" 2
685 1 43 LEU H 1 44 VAL HB . . 5.400 4.673 4.430 4.838 . 0 0 "[ . 1 . 2]" 2
686 1 43 LEU H 1 45 ASP H . . 5.700 3.630 3.561 3.760 . 0 0 "[ . 1 . 2]" 2
687 1 43 LEU H 1 46 GLU H . . 5.700 4.670 4.555 4.826 . 0 0 "[ . 1 . 2]" 2
688 1 43 LEU HA 1 46 GLU H . . 5.400 3.553 3.293 3.830 . 0 0 "[ . 1 . 2]" 2
689 1 43 LEU HA 1 47 LYS H . . 5.400 4.474 3.968 4.775 . 0 0 "[ . 1 . 2]" 2
690 1 43 LEU HA 1 48 LYS H . . 5.400 3.389 3.033 3.695 . 0 0 "[ . 1 . 2]" 2
691 1 43 LEU HB2 1 48 LYS H . . 5.400 4.723 4.450 4.973 . 0 0 "[ . 1 . 2]" 2
692 1 43 LEU HB3 1 48 LYS H . . 5.400 3.777 3.356 4.019 . 0 0 "[ . 1 . 2]" 2
693 1 43 LEU HG 1 44 VAL H . . 3.700 3.796 3.758 3.867 0.167 15 0 "[ . 1 . 2]" 2
694 1 43 LEU HG 1 45 ASP H . . 5.400 5.419 5.320 5.475 0.075 20 0 "[ . 1 . 2]" 2
695 1 43 LEU MD1 1 44 VAL H . . 6.720 4.287 4.078 4.538 . 0 0 "[ . 1 . 2]" 2
696 1 43 LEU MD2 1 44 VAL H . . 6.720 4.482 4.395 4.558 . 0 0 "[ . 1 . 2]" 2
697 1 44 VAL H 1 44 VAL HB . . 3.700 2.588 2.533 2.640 . 0 0 "[ . 1 . 2]" 2
698 1 44 VAL H 1 45 ASP H . . 4.400 2.460 2.239 2.668 . 0 0 "[ . 1 . 2]" 2
699 1 44 VAL H 1 45 ASP HA . . 5.400 5.041 4.854 5.175 . 0 0 "[ . 1 . 2]" 2
700 1 44 VAL H 1 45 ASP HB2 . . 5.400 4.753 4.162 5.157 . 0 0 "[ . 1 . 2]" 2
701 1 44 VAL H 1 45 ASP HB3 . . 5.400 4.559 4.246 5.410 0.010 20 0 "[ . 1 . 2]" 2
702 1 44 VAL H 1 46 GLU H . . 5.700 4.258 4.083 4.505 . 0 0 "[ . 1 . 2]" 2
703 1 44 VAL H 1 47 LYS H . . 5.700 4.758 4.399 5.142 . 0 0 "[ . 1 . 2]" 2
704 1 44 VAL H 1 50 PHE QE . . 7.830 4.687 4.114 5.093 . 0 0 "[ . 1 . 2]" 2
705 1 44 VAL HA 1 46 GLU H . . 5.400 4.530 4.325 4.903 . 0 0 "[ . 1 . 2]" 2
706 1 44 VAL HB 1 45 ASP H . . 3.700 2.789 2.504 3.008 . 0 0 "[ . 1 . 2]" 2
707 1 44 VAL MG1 1 45 ASP H . . 6.720 3.633 3.460 3.820 . 0 0 "[ . 1 . 2]" 2
708 1 44 VAL MG2 1 45 ASP H . . 6.720 3.825 3.676 4.012 . 0 0 "[ . 1 . 2]" 2
709 1 45 ASP H 1 45 ASP HB2 . . 3.700 2.536 2.257 2.700 . 0 0 "[ . 1 . 2]" 2
710 1 45 ASP H 1 45 ASP HB3 . . 3.700 2.455 2.334 2.838 . 0 0 "[ . 1 . 2]" 2
711 1 45 ASP H 1 46 GLU H . . 4.400 2.713 2.478 2.805 . 0 0 "[ . 1 . 2]" 2
712 1 45 ASP H 1 47 LYS H . . 5.700 3.739 3.540 3.952 . 0 0 "[ . 1 . 2]" 2
713 1 45 ASP HB2 1 47 LYS H . . 5.400 5.332 5.103 5.448 0.048 13 0 "[ . 1 . 2]" 2
714 1 45 ASP HB3 1 47 LYS H . . 5.400 4.455 4.160 4.634 . 0 0 "[ . 1 . 2]" 2
715 1 46 GLU H 1 47 LYS H . . 4.400 2.454 2.303 2.626 . 0 0 "[ . 1 . 2]" 2
716 1 46 GLU H 1 48 LYS H . . 5.700 3.972 3.516 4.202 . 0 0 "[ . 1 . 2]" 2
717 1 46 GLU H 1 65 TRP HH2 . . 5.700 4.165 3.093 5.153 . 0 0 "[ . 1 . 2]" 2
718 1 46 GLU HA 1 48 LYS H . . 5.400 5.167 4.649 5.425 0.025 5 0 "[ . 1 . 2]" 2
719 1 47 LYS H 1 47 LYS HA . . 2.900 2.230 2.195 2.340 . 0 0 "[ . 1 . 2]" 2
720 1 47 LYS H 1 48 LYS H . . 4.400 2.745 2.469 2.962 . 0 0 "[ . 1 . 2]" 2
721 1 47 LYS H 1 48 LYS HA . . 5.400 5.200 5.029 5.353 . 0 0 "[ . 1 . 2]" 2
722 1 48 LYS HA 1 49 ARG H . . 2.900 2.494 2.107 2.698 . 0 0 "[ . 1 . 2]" 2
723 1 48 LYS QE 1 65 TRP HE1 . . 7.880 4.608 3.512 6.257 . 0 0 "[ . 1 . 2]" 2
724 1 49 ARG H 1 49 ARG HB2 . . 3.700 2.541 2.427 2.647 . 0 0 "[ . 1 . 2]" 2
725 1 49 ARG H 1 49 ARG HB3 . . 3.700 3.685 3.603 3.744 0.044 5 0 "[ . 1 . 2]" 2
726 1 49 ARG H 1 50 PHE H . . 5.700 4.442 4.326 4.648 . 0 0 "[ . 1 . 2]" 2
727 1 49 ARG H 1 50 PHE QD . . 7.830 5.546 5.329 5.795 . 0 0 "[ . 1 . 2]" 2
728 1 50 PHE H 1 50 PHE HB2 . . 3.700 2.460 2.406 2.518 . 0 0 "[ . 1 . 2]" 2
729 1 50 PHE H 1 50 PHE HB3 . . 3.700 3.627 3.586 3.667 . 0 0 "[ . 1 . 2]" 2
730 1 50 PHE H 1 51 HIS H . . 5.700 4.522 4.467 4.590 . 0 0 "[ . 1 . 2]" 2
731 1 50 PHE HA 1 51 HIS H . . 2.900 2.417 2.304 2.553 . 0 0 "[ . 1 . 2]" 2
732 1 50 PHE QD 1 51 HIS H . . 6.530 4.059 3.892 4.320 . 0 0 "[ . 1 . 2]" 2
733 1 50 PHE QD 1 59 GLY H . . 7.830 5.270 4.601 6.418 . 0 0 "[ . 1 . 2]" 2
734 1 50 PHE QD 1 60 GLN H . . 7.830 5.130 4.067 6.386 . 0 0 "[ . 1 . 2]" 2
735 1 51 HIS H 1 51 HIS HD2 . . 5.700 5.133 5.061 5.230 . 0 0 "[ . 1 . 2]" 2
736 1 51 HIS H 1 52 GLU H . . 5.700 4.201 4.016 4.283 . 0 0 "[ . 1 . 2]" 2
737 1 51 HIS H 1 52 GLU HA . . 5.400 4.909 4.781 5.048 . 0 0 "[ . 1 . 2]" 2
738 1 51 HIS H 1 53 ILE MD . . 6.720 6.118 4.898 6.742 0.022 15 0 "[ . 1 . 2]" 2
739 1 51 HIS H 1 58 THR H . . 5.700 2.978 2.808 3.202 . 0 0 "[ . 1 . 2]" 2
740 1 51 HIS H 1 59 GLY H . . 5.700 4.989 4.762 5.170 . 0 0 "[ . 1 . 2]" 2
741 1 51 HIS H 1 59 GLY HA2 . . 5.400 3.681 3.306 4.050 . 0 0 "[ . 1 . 2]" 2
742 1 51 HIS H 1 59 GLY HA3 . . 5.400 4.250 3.846 4.523 . 0 0 "[ . 1 . 2]" 2
743 1 51 HIS HA 1 52 GLU H . . 2.900 2.138 2.089 2.204 . 0 0 "[ . 1 . 2]" 2
744 1 51 HIS HB2 1 52 GLU H . . 5.400 4.463 4.349 4.568 . 0 0 "[ . 1 . 2]" 2
745 1 51 HIS HB3 1 52 GLU H . . 5.400 4.160 3.862 4.381 . 0 0 "[ . 1 . 2]" 2
746 1 51 HIS HD2 1 52 GLU H . . 5.700 3.671 2.747 4.688 . 0 0 "[ . 1 . 2]" 2
747 1 52 GLU H 1 52 GLU HB2 . . 3.700 2.661 2.393 2.946 . 0 0 "[ . 1 . 2]" 2
748 1 52 GLU H 1 52 GLU HB3 . . 3.700 2.407 2.275 2.514 . 0 0 "[ . 1 . 2]" 2
749 1 52 GLU H 1 52 GLU HG2 . . 5.400 4.369 4.262 4.569 . 0 0 "[ . 1 . 2]" 2
750 1 52 GLU H 1 52 GLU HG3 . . 5.400 4.554 4.396 4.697 . 0 0 "[ . 1 . 2]" 2
751 1 52 GLU H 1 53 ILE MD . . 6.720 5.916 4.022 6.620 . 0 0 "[ . 1 . 2]" 2
752 1 52 GLU H 1 57 TRP HZ2 . . 5.700 5.768 5.719 5.808 0.108 4 0 "[ . 1 . 2]" 2
753 1 52 GLU H 1 57 TRP HH2 . . 5.700 4.314 4.197 4.478 . 0 0 "[ . 1 . 2]" 2
754 1 52 GLU HA 1 53 ILE H . . 2.900 2.153 2.096 2.240 . 0 0 "[ . 1 . 2]" 2
755 1 52 GLU HA 1 55 GLY H . . 5.800 4.818 4.483 5.451 . 0 0 "[ . 1 . 2]" 2
756 1 52 GLU HA 1 56 ARG H . . 5.400 4.219 3.954 4.990 . 0 0 "[ . 1 . 2]" 2
757 1 52 GLU HA 1 57 TRP H . . 5.400 4.494 4.171 4.832 . 0 0 "[ . 1 . 2]" 2
758 1 52 GLU HA 1 58 THR H . . 3.700 3.688 3.430 3.780 0.080 16 0 "[ . 1 . 2]" 2
759 1 53 ILE H 1 53 ILE MD . . 5.020 3.549 1.807 4.281 . 0 0 "[ . 1 . 2]" 2
760 1 53 ILE H 1 54 ALA HA . . 5.800 5.639 5.466 5.776 . 0 0 "[ . 1 . 2]" 2
761 1 53 ILE H 1 55 GLY H . . 5.700 3.833 3.501 4.207 . 0 0 "[ . 1 . 2]" 2
762 1 53 ILE H 1 56 ARG H . . 4.400 2.963 2.747 3.393 . 0 0 "[ . 1 . 2]" 2
763 1 53 ILE HA 1 55 GLY H . . 5.400 3.735 3.484 4.252 . 0 0 "[ . 1 . 2]" 2
764 1 53 ILE HA 1 56 ARG H . . 5.400 4.419 4.193 4.696 . 0 0 "[ . 1 . 2]" 2
765 1 53 ILE MD 1 55 GLY H . . 6.720 6.060 5.205 6.661 . 0 0 "[ . 1 . 2]" 2
766 1 53 ILE MD 1 56 ARG H . . 6.720 5.084 3.726 5.902 . 0 0 "[ . 1 . 2]" 2
767 1 53 ILE MD 1 58 THR H . . 6.720 5.011 3.898 5.590 . 0 0 "[ . 1 . 2]" 2
768 1 54 ALA H 1 55 GLY H . . 5.700 2.686 2.515 2.911 . 0 0 "[ . 1 . 2]" 2
769 1 55 GLY H 1 55 GLY HA3 . . 2.900 2.886 2.855 2.909 0.009 16 0 "[ . 1 . 2]" 2
770 1 55 GLY H 1 55 GLY HA2 . . 2.900 2.307 2.275 2.342 . 0 0 "[ . 1 . 2]" 2
771 1 55 GLY H 1 56 ARG H . . 4.400 2.533 2.358 2.762 . 0 0 "[ . 1 . 2]" 2
772 1 55 GLY H 1 56 ARG HA . . 5.400 5.067 4.847 5.173 . 0 0 "[ . 1 . 2]" 2
773 1 56 ARG H 1 56 ARG HB2 . . 3.700 2.651 2.358 3.163 . 0 0 "[ . 1 . 2]" 2
774 1 56 ARG H 1 56 ARG HB3 . . 3.700 3.399 2.325 3.775 0.075 16 0 "[ . 1 . 2]" 2
775 1 56 ARG H 1 57 TRP H . . 5.700 4.350 4.209 4.462 . 0 0 "[ . 1 . 2]" 2
776 1 56 ARG H 1 57 TRP HA . . 5.400 4.740 4.546 4.931 . 0 0 "[ . 1 . 2]" 2
777 1 56 ARG HA 1 57 TRP H . . 2.900 2.196 2.064 2.467 . 0 0 "[ . 1 . 2]" 2
778 1 56 ARG HA 1 57 TRP HE1 . . 5.400 5.364 4.767 5.482 0.082 17 0 "[ . 1 . 2]" 2
779 1 56 ARG HB2 1 57 TRP H . . 5.400 4.047 3.098 4.441 . 0 0 "[ . 1 . 2]" 2
780 1 56 ARG HB3 1 57 TRP H . . 5.400 3.265 2.368 4.240 . 0 0 "[ . 1 . 2]" 2
781 1 57 TRP H 1 57 TRP HD1 . . 2.900 2.835 2.634 2.933 0.033 6 0 "[ . 1 . 2]" 2
782 1 57 TRP H 1 57 TRP HE3 . . 5.700 5.270 5.022 5.491 . 0 0 "[ . 1 . 2]" 2
783 1 57 TRP H 1 57 TRP HE1 . . 5.700 4.960 4.696 5.195 . 0 0 "[ . 1 . 2]" 2
784 1 57 TRP HB2 1 58 THR H . . 3.700 3.736 3.591 3.774 0.074 2 0 "[ . 1 . 2]" 2
785 1 57 TRP HB3 1 58 THR H . . 3.700 2.541 2.320 2.674 . 0 0 "[ . 1 . 2]" 2
786 1 57 TRP HE3 1 58 THR H . . 4.400 3.022 2.744 3.327 . 0 0 "[ . 1 . 2]" 2
787 1 57 TRP HZ3 1 58 THR H . . 5.700 5.261 5.003 5.572 . 0 0 "[ . 1 . 2]" 2
788 1 58 THR H 1 59 GLY H . . 4.400 4.197 4.133 4.250 . 0 0 "[ . 1 . 2]" 2
789 1 58 THR HB 1 59 GLY H . . 3.700 3.134 2.379 3.762 0.062 17 0 "[ . 1 . 2]" 2
790 1 58 THR MG 1 59 GLY H . . 5.020 2.916 2.138 3.738 . 0 0 "[ . 1 . 2]" 2
791 1 59 GLY H 1 60 GLN H . . 5.700 4.106 4.013 4.226 . 0 0 "[ . 1 . 2]" 2
792 1 60 GLN H 1 60 GLN HG2 . . 5.400 4.274 4.097 4.796 . 0 0 "[ . 1 . 2]" 2
793 1 60 GLN H 1 60 GLN HG3 . . 5.400 4.588 4.138 4.663 . 0 0 "[ . 1 . 2]" 2
794 1 60 GLN H 1 61 CYS H . . 5.700 4.150 3.961 4.340 . 0 0 "[ . 1 . 2]" 2
795 1 60 GLN HA 1 61 CYS H . . 2.900 2.095 2.015 2.177 . 0 0 "[ . 1 . 2]" 2
796 1 60 GLN HG2 1 61 CYS H . . 3.700 3.655 3.375 3.794 0.094 8 0 "[ . 1 . 2]" 2
797 1 60 GLN HG2 1 62 ALA H . . 5.400 5.022 4.558 5.562 0.162 8 0 "[ . 1 . 2]" 2
798 1 60 GLN HG2 1 64 CYS H . . 5.400 4.730 4.058 5.439 0.039 1 0 "[ . 1 . 2]" 2
799 1 60 GLN HG3 1 61 CYS H . . 3.700 2.757 2.238 3.043 . 0 0 "[ . 1 . 2]" 2
800 1 60 GLN HG3 1 62 ALA H . . 5.400 5.447 4.236 5.599 0.199 20 0 "[ . 1 . 2]" 2
801 1 60 GLN HG3 1 64 CYS H . . 5.400 4.298 3.829 5.287 . 0 0 "[ . 1 . 2]" 2
802 1 61 CYS H 1 62 ALA H . . 5.700 4.433 4.275 4.533 . 0 0 "[ . 1 . 2]" 2
803 1 61 CYS H 1 64 CYS H . . 5.700 4.596 4.032 4.900 . 0 0 "[ . 1 . 2]" 2
804 1 61 CYS HB2 1 62 ALA H . . 3.700 2.710 2.379 3.002 . 0 0 "[ . 1 . 2]" 2
805 1 61 CYS HB3 1 62 ALA H . . 3.700 3.758 3.697 3.827 0.127 5 0 "[ . 1 . 2]" 2
806 1 62 ALA H 1 63 ASN H . . 4.400 2.661 2.451 2.840 . 0 0 "[ . 1 . 2]" 2
807 1 62 ALA H 1 63 ASN HA . . 5.400 5.230 5.029 5.394 . 0 0 "[ . 1 . 2]" 2
808 1 62 ALA H 1 64 CYS H . . 5.700 4.527 4.258 4.782 . 0 0 "[ . 1 . 2]" 2
809 1 62 ALA HA 1 64 CYS H . . 5.400 4.136 3.761 4.472 . 0 0 "[ . 1 . 2]" 2
810 1 62 ALA HA 1 66 GLN HE21 . . 5.400 4.425 3.011 5.469 0.069 6 0 "[ . 1 . 2]" 2
811 1 62 ALA HA 1 66 GLN HE22 . . 5.400 4.765 3.129 5.438 0.038 5 0 "[ . 1 . 2]" 2
812 1 62 ALA MB 1 63 ASN H . . 5.020 2.789 2.573 3.029 . 0 0 "[ . 1 . 2]" 2
813 1 62 ALA MB 1 63 ASN HD21 . . 6.720 4.990 3.611 5.814 . 0 0 "[ . 1 . 2]" 2
814 1 62 ALA MB 1 63 ASN HD22 . . 6.720 6.163 4.494 6.816 0.096 6 0 "[ . 1 . 2]" 2
815 1 62 ALA MB 1 64 CYS H . . 6.720 4.675 4.488 4.809 . 0 0 "[ . 1 . 2]" 2
816 1 62 ALA MB 1 65 TRP H . . 6.720 4.304 4.101 4.541 . 0 0 "[ . 1 . 2]" 2
817 1 62 ALA MB 1 66 GLN H . . 6.720 3.570 3.057 4.158 . 0 0 "[ . 1 . 2]" 2
818 1 62 ALA MB 1 66 GLN HE21 . . 6.720 3.060 1.830 4.935 . 0 0 "[ . 1 . 2]" 2
819 1 62 ALA MB 1 66 GLN HE22 . . 6.720 3.219 1.760 4.465 . 0 0 "[ . 1 . 2]" 2
820 1 63 ASN H 1 63 ASN HB2 . . 3.700 2.403 2.168 2.776 . 0 0 "[ . 1 . 2]" 2
821 1 63 ASN H 1 63 ASN HB3 . . 3.700 2.945 2.480 3.714 0.014 15 0 "[ . 1 . 2]" 2
822 1 63 ASN H 1 63 ASN HD21 . . 5.700 3.803 2.322 4.485 . 0 0 "[ . 1 . 2]" 2
823 1 63 ASN H 1 63 ASN HD22 . . 5.700 5.085 3.554 5.687 . 0 0 "[ . 1 . 2]" 2
824 1 63 ASN H 1 64 CYS H . . 4.400 2.879 2.691 3.014 . 0 0 "[ . 1 . 2]" 2
825 1 63 ASN H 1 64 CYS HA . . 5.400 5.410 5.360 5.446 0.046 18 0 "[ . 1 . 2]" 2
826 1 63 ASN H 1 65 TRP H . . 5.700 3.913 3.768 4.166 . 0 0 "[ . 1 . 2]" 2
827 1 63 ASN H 1 66 GLN H . . 5.700 4.668 4.474 5.187 . 0 0 "[ . 1 . 2]" 2
828 1 63 ASN HA 1 63 ASN HD22 . . 5.400 3.793 3.477 4.382 . 0 0 "[ . 1 . 2]" 2
829 1 63 ASN HA 1 66 GLN H . . 5.400 4.279 3.461 5.030 . 0 0 "[ . 1 . 2]" 2
830 1 64 CYS H 1 65 TRP H . . 4.400 2.262 2.186 2.390 . 0 0 "[ . 1 . 2]" 2
831 1 64 CYS H 1 66 GLN H . . 5.700 4.226 3.966 4.628 . 0 0 "[ . 1 . 2]" 2
832 1 65 TRP H 1 65 TRP HD1 . . 5.400 4.721 4.491 4.939 . 0 0 "[ . 1 . 2]" 2
833 1 65 TRP H 1 65 TRP HE3 . . 5.400 4.790 4.284 5.150 . 0 0 "[ . 1 . 2]" 2
834 1 65 TRP H 1 66 GLN H . . 4.400 2.778 2.517 3.033 . 0 0 "[ . 1 . 2]" 2
835 1 65 TRP HD1 1 66 GLN H . . 5.700 5.063 4.727 5.388 . 0 0 "[ . 1 . 2]" 2
836 1 65 TRP HE3 1 66 GLN H . . 5.700 4.460 3.590 5.024 . 0 0 "[ . 1 . 2]" 2
837 1 65 TRP HE1 1 68 THR HB . . 5.400 4.953 4.278 5.457 0.057 16 0 "[ . 1 . 2]" 2
838 1 66 GLN HA 1 66 GLN HE21 . . 5.400 3.866 1.934 4.812 . 0 0 "[ . 1 . 2]" 2
839 1 66 GLN HA 1 66 GLN HE22 . . 5.400 4.452 3.131 5.640 0.240 17 0 "[ . 1 . 2]" 2
840 1 67 ARG H 1 68 THR HB . . 5.400 4.655 4.396 4.930 . 0 0 "[ . 1 . 2]" 2
841 1 68 THR H 1 68 THR HB . . 3.700 2.635 2.519 2.821 . 0 0 "[ . 1 . 2]" 2
842 1 70 GLN HA 1 70 GLN HE21 . . 5.400 4.179 2.395 5.037 . 0 0 "[ . 1 . 2]" 2
843 1 70 GLN HA 1 70 GLN HE22 . . 5.400 4.407 3.254 5.694 0.294 9 0 "[ . 1 . 2]" 2
844 1 70 GLN HA 1 72 ASN H . . 5.400 5.099 2.999 5.652 0.252 2 0 "[ . 1 . 2]" 2
845 1 70 GLN HB2 1 70 GLN HE22 . . 5.400 4.961 3.884 5.337 . 0 0 "[ . 1 . 2]" 2
846 1 70 GLN HB3 1 70 GLN HE22 . . 5.400 4.677 3.536 5.344 . 0 0 "[ . 1 . 2]" 2
847 1 70 GLN HE22 1 70 GLN HG2 . . 3.700 3.558 3.364 3.857 0.157 14 0 "[ . 1 . 2]" 2
848 1 70 GLN HE22 1 70 GLN HG3 . . 3.700 3.647 3.370 3.890 0.190 10 0 "[ . 1 . 2]" 2
849 1 72 ASN HB2 1 72 ASN HD22 . . 3.700 3.747 3.389 3.881 0.181 9 0 "[ . 1 . 2]" 2
850 1 72 ASN HB3 1 72 ASN HD22 . . 3.700 3.586 3.405 3.911 0.211 18 0 "[ . 1 . 2]" 2
851 1 73 GLU H 1 73 GLU HB2 . . 3.700 2.636 2.217 3.399 . 0 0 "[ . 1 . 2]" 2
852 1 73 GLU H 1 73 GLU HB3 . . 3.700 3.238 2.493 3.662 . 0 0 "[ . 1 . 2]" 2
853 1 73 GLU HB2 1 74 THR H . . 5.400 4.050 2.860 4.588 . 0 0 "[ . 1 . 2]" 2
854 1 73 GLU HB3 1 74 THR H . . 5.400 3.776 2.398 4.471 . 0 0 "[ . 1 . 2]" 2
855 1 74 THR MG 1 75 GLN H . . 6.720 3.678 2.622 4.391 . 0 0 "[ . 1 . 2]" 2
856 1 74 THR MG 1 76 VAL H . . 6.720 4.186 2.367 5.585 . 0 0 "[ . 1 . 2]" 2
857 1 75 GLN H 1 75 GLN HG2 . . 3.700 3.031 1.991 3.770 0.070 12 0 "[ . 1 . 2]" 2
858 1 75 GLN H 1 75 GLN HG3 . . 3.700 2.994 2.312 3.811 0.111 18 0 "[ . 1 . 2]" 2
859 1 75 GLN H 1 76 VAL H . . 5.700 2.665 1.753 4.591 . 0 0 "[ . 1 . 2]" 2
860 1 75 GLN HA 1 76 VAL H . . 2.900 2.852 2.103 3.272 0.372 18 0 "[ . 1 . 2]" 2
861 1 76 VAL H 1 76 VAL HB . . 3.700 3.310 2.538 3.849 0.149 7 0 "[ . 1 . 2]" 2
862 1 6 ARG HB3 1 57 TRP HH2 . . 5.400 4.256 3.584 5.008 . 0 0 "[ . 1 . 2]" 2
863 1 7 SER HA 1 51 HIS HE1 . . 5.400 5.421 5.300 5.457 0.057 14 0 "[ . 1 . 2]" 2
864 1 7 SER HB3 1 51 HIS HE1 . . 5.400 4.996 3.255 5.442 0.042 6 0 "[ . 1 . 2]" 2
865 1 8 VAL MG2 1 57 TRP HH2 . . 5.020 2.026 1.898 2.419 . 0 0 "[ . 1 . 2]" 2
866 1 9 TYR HA 1 50 PHE QD . . 7.530 3.302 2.640 3.833 . 0 0 "[ . 1 . 2]" 2
867 1 9 TYR QE 1 47 LYS HA . . 5.830 4.026 1.957 5.848 0.018 16 0 "[ . 1 . 2]" 2
868 1 9 TYR QD 1 47 LYS HA . . 7.530 4.005 3.069 4.793 . 0 0 "[ . 1 . 2]" 2
869 1 9 TYR QD 1 49 ARG HA . . 7.530 3.662 3.248 4.185 . 0 0 "[ . 1 . 2]" 2
870 1 13 LEU MD1 1 57 TRP HE3 . . 7.220 3.898 3.502 4.385 . 0 0 "[ . 1 . 2]" 2
871 1 13 LEU MD1 1 57 TRP HZ3 . . 7.220 3.494 2.840 4.739 . 0 0 "[ . 1 . 2]" 2
872 1 13 LEU MD2 1 57 TRP HZ3 . . 7.220 3.550 3.098 4.560 . 0 0 "[ . 1 . 2]" 2
873 1 16 ILE MD 1 57 TRP HH2 . . 6.720 3.893 2.969 5.376 . 0 0 "[ . 1 . 2]" 2
874 1 17 THR MG 1 57 TRP HD1 . . 6.720 3.512 2.895 4.065 . 0 0 "[ . 1 . 2]" 2
875 1 17 THR MG 1 57 TRP HZ2 . . 6.720 4.791 4.066 5.519 . 0 0 "[ . 1 . 2]" 2
876 1 21 LEU MD2 1 50 PHE QE . . 8.850 2.924 2.535 3.160 . 0 0 "[ . 1 . 2]" 2
877 1 21 LEU MD2 1 50 PHE QD . . 8.850 3.672 3.179 4.129 . 0 0 "[ . 1 . 2]" 2
878 1 22 TYR QD 1 37 PRO HA . . 7.530 4.320 3.247 5.262 . 0 0 "[ . 1 . 2]" 2
879 1 22 TYR QD 1 37 PRO HB2 . . 7.530 5.138 3.901 6.362 . 0 0 "[ . 1 . 2]" 2
880 1 22 TYR QD 1 37 PRO HB3 . . 7.530 3.700 2.320 5.748 . 0 0 "[ . 1 . 2]" 2
881 1 24 LEU MD2 1 57 TRP HD1 . . 6.720 2.964 2.170 5.715 . 0 0 "[ . 1 . 2]" 2
882 1 26 ILE HB 1 50 PHE QE . . 8.030 4.152 3.454 5.148 . 0 0 "[ . 1 . 2]" 2
883 1 26 ILE MG 1 50 PHE HZ . . 7.220 5.721 5.160 6.450 . 0 0 "[ . 1 . 2]" 2
884 1 26 ILE MD 1 50 PHE QE . . 7.150 2.843 2.534 3.130 . 0 0 "[ . 1 . 2]" 2
885 1 26 ILE MD 1 50 PHE QD . . 7.150 2.441 1.920 3.285 . 0 0 "[ . 1 . 2]" 2
886 1 26 ILE MD 1 57 TRP HD1 . . 6.720 4.899 4.100 6.022 . 0 0 "[ . 1 . 2]" 2
887 1 29 HIS HE1 1 58 THR MG . . 6.720 4.651 2.741 6.202 . 0 0 "[ . 1 . 2]" 2
888 1 43 LEU HA 1 65 TRP HH2 . . 3.700 3.444 2.675 3.729 0.029 3 0 "[ . 1 . 2]" 2
889 1 43 LEU HB3 1 50 PHE HZ . . 5.400 3.951 2.971 4.926 . 0 0 "[ . 1 . 2]" 2
890 1 43 LEU HG 1 65 TRP HZ3 . . 5.400 3.963 2.760 4.741 . 0 0 "[ . 1 . 2]" 2
891 1 46 GLU HG2 1 65 TRP HZ2 . . 5.900 5.583 4.438 5.937 0.037 18 0 "[ . 1 . 2]" 2
892 1 48 LYS QE 1 65 TRP HZ2 . . 5.980 3.137 1.892 5.310 . 0 0 "[ . 1 . 2]" 2
893 1 48 LYS QE 1 65 TRP HH2 . . 7.880 4.127 2.649 6.702 . 0 0 "[ . 1 . 2]" 2
894 1 49 ARG HA 1 50 PHE QD . . 8.030 3.319 3.026 3.602 . 0 0 "[ . 1 . 2]" 2
895 1 50 PHE HA 1 57 TRP HE3 . . 5.400 4.459 4.229 4.720 . 0 0 "[ . 1 . 2]" 2
896 1 50 PHE QD 1 57 TRP HZ3 . . 7.530 5.007 4.416 5.716 . 0 0 "[ . 1 . 2]" 2
897 1 50 PHE QD 1 59 GLY HA2 . . 7.530 4.604 3.441 5.787 . 0 0 "[ . 1 . 2]" 2
898 1 51 HIS HA 1 57 TRP HE3 . . 5.400 3.860 3.542 4.159 . 0 0 "[ . 1 . 2]" 2
899 1 62 ALA HA 1 65 TRP HE3 . . 5.400 2.558 1.857 3.329 . 0 0 "[ . 1 . 2]" 2
900 1 65 TRP HA 1 65 TRP HE3 . . 5.400 5.133 5.004 5.253 . 0 0 "[ . 1 . 2]" 2
901 1 65 TRP HD1 1 66 GLN HA . . 5.400 5.193 4.370 5.451 0.051 7 0 "[ . 1 . 2]" 2
902 1 65 TRP HE3 1 66 GLN HA . . 5.400 5.231 4.126 5.495 0.095 4 0 "[ . 1 . 2]" 2
903 1 9 TYR O 1 12 THR H . . 1.800 1.879 1.781 2.080 0.280 4 0 "[ . 1 . 2]" 2
904 1 9 TYR O 1 12 THR N . . 2.700 2.745 2.688 2.878 0.178 7 0 "[ . 1 . 2]" 2
905 1 9 TYR O 1 13 LEU H . . 1.800 2.105 2.034 2.141 0.341 18 0 "[ . 1 . 2]" 2
906 1 9 TYR O 1 13 LEU N . . 2.700 3.009 2.915 3.060 0.360 18 0 "[ . 1 . 2]" 2
907 1 10 GLY O 1 14 GLU H . . 1.800 2.026 1.918 2.067 0.267 17 0 "[ . 1 . 2]" 2
908 1 10 GLY O 1 14 GLU N . . 2.700 2.979 2.894 3.025 0.325 7 0 "[ . 1 . 2]" 2
909 1 12 THR O 1 16 ILE H . . 1.800 1.782 1.736 1.810 0.010 14 0 "[ . 1 . 2]" 2
910 1 12 THR O 1 16 ILE N . . 2.700 2.756 2.712 2.788 0.088 14 0 "[ . 1 . 2]" 2
911 1 13 LEU O 1 17 THR H . . 1.800 1.968 1.877 2.048 0.248 1 0 "[ . 1 . 2]" 2
912 1 13 LEU O 1 17 THR N . . 2.700 2.812 2.703 2.941 0.241 8 0 "[ . 1 . 2]" 2
913 1 37 PRO O 1 41 GLN H . . 1.800 1.933 1.792 2.057 0.257 10 0 "[ . 1 . 2]" 2
914 1 37 PRO O 1 41 GLN N . . 2.700 2.849 2.743 2.981 0.281 12 0 "[ . 1 . 2]" 2
915 1 38 GLU O 1 42 LYS H . . 1.800 1.993 1.820 2.105 0.305 13 0 "[ . 1 . 2]" 2
916 1 38 GLU O 1 42 LYS N . . 2.700 2.841 2.695 2.952 0.252 16 0 "[ . 1 . 2]" 2
917 1 41 GLN O 1 45 ASP H . . 1.800 1.864 1.795 2.009 0.209 9 0 "[ . 1 . 2]" 2
918 1 41 GLN O 1 45 ASP N . . 2.700 2.694 2.630 2.806 0.106 17 0 "[ . 1 . 2]" 2
919 1 42 LYS O 1 46 GLU H . . 1.800 2.005 1.761 2.096 0.296 7 0 "[ . 1 . 2]" 2
920 1 42 LYS O 1 46 GLU N . . 2.700 2.944 2.709 3.046 0.346 7 0 "[ . 1 . 2]" 2
921 1 6 ARG H 1 52 GLU O . . 1.800 1.952 1.787 2.067 0.267 11 0 "[ . 1 . 2]" 2
922 1 6 ARG N 1 52 GLU O . . 2.700 2.882 2.749 2.962 0.262 1 0 "[ . 1 . 2]" 2
923 1 6 ARG O 1 52 GLU H . . 1.800 1.797 1.764 1.952 0.152 20 0 "[ . 1 . 2]" 2
924 1 6 ARG O 1 52 GLU N . . 2.700 2.749 2.716 2.804 0.104 7 0 "[ . 1 . 2]" 2
925 1 8 VAL O 1 50 PHE H . . 1.800 1.907 1.793 1.997 0.197 17 0 "[ . 1 . 2]" 2
926 1 8 VAL O 1 50 PHE N . . 2.700 2.835 2.749 2.890 0.190 15 0 "[ . 1 . 2]" 2
927 1 51 HIS H 1 58 THR O . . 1.800 1.936 1.795 2.043 0.243 10 0 "[ . 1 . 2]" 2
928 1 51 HIS N 1 58 THR O . . 2.700 2.894 2.755 3.009 0.309 10 0 "[ . 1 . 2]" 2
929 1 53 ILE H 1 56 ARG O . . 1.800 1.814 1.727 1.981 0.181 6 0 "[ . 1 . 2]" 2
930 1 53 ILE N 1 56 ARG O . . 2.700 2.781 2.698 2.943 0.243 6 0 "[ . 1 . 2]" 2
931 1 53 ILE O 1 56 ARG H . . 1.800 2.013 1.922 2.086 0.286 7 0 "[ . 1 . 2]" 2
932 1 53 ILE O 1 56 ARG N . . 2.700 2.925 2.855 3.005 0.305 15 0 "[ . 1 . 2]" 2
933 1 5 SER H 1 52 GLU QG . . 6.130 6.063 5.353 6.262 0.132 20 0 "[ . 1 . 2]" 2
934 1 5 SER HA 1 6 ARG QB . . 6.130 4.433 3.883 4.798 . 0 0 "[ . 1 . 2]" 2
935 1 5 SER HA 1 52 GLU QB . . 6.130 4.194 3.688 4.645 . 0 0 "[ . 1 . 2]" 2
936 1 5 SER QB 1 6 ARG HA . . 6.130 4.421 4.220 4.623 . 0 0 "[ . 1 . 2]" 2
937 1 5 SER QB 1 52 GLU H . . 6.130 5.580 4.913 6.176 0.046 11 0 "[ . 1 . 2]" 2
938 1 5 SER QB 1 53 ILE HA . . 6.600 4.395 3.711 4.923 . 0 0 "[ . 1 . 2]" 2
939 1 5 SER QB 1 53 ILE QG . . 6.860 5.473 2.889 6.225 . 0 0 "[ . 1 . 2]" 2
940 1 6 ARG HA 1 8 VAL QG . . 7.730 4.200 3.803 4.553 . 0 0 "[ . 1 . 2]" 2
941 1 6 ARG QB 1 8 VAL QG . . 7.800 2.931 2.367 3.861 . 0 0 "[ . 1 . 2]" 2
942 1 6 ARG QB 1 52 GLU H . . 6.130 3.165 2.701 3.624 . 0 0 "[ . 1 . 2]" 2
943 1 6 ARG QB 1 52 GLU QB . . 6.850 2.039 1.736 2.257 . 0 0 "[ . 1 . 2]" 2
944 1 6 ARG QB 1 52 GLU QG . . 7.290 3.792 3.283 4.203 . 0 0 "[ . 1 . 2]" 2
945 1 6 ARG QB 1 57 TRP HZ2 . . 6.600 5.010 4.248 5.492 . 0 0 "[ . 1 . 2]" 2
946 1 6 ARG QG 1 7 SER H . . 6.130 4.117 3.010 4.872 . 0 0 "[ . 1 . 2]" 2
947 1 6 ARG QG 1 8 VAL QG . . 8.440 3.722 2.025 4.459 . 0 0 "[ . 1 . 2]" 2
948 1 6 ARG QD 1 8 VAL QG . . 8.000 3.752 2.891 4.876 . 0 0 "[ . 1 . 2]" 2
949 1 7 SER H 1 8 VAL QG . . 7.730 3.606 3.224 3.968 . 0 0 "[ . 1 . 2]" 2
950 1 7 SER HA 1 49 ARG QB . . 6.600 3.376 2.820 3.849 . 0 0 "[ . 1 . 2]" 2
951 1 7 SER HA 1 51 HIS QB . . 6.600 3.956 3.614 4.270 . 0 0 "[ . 1 . 2]" 2
952 1 7 SER QB 1 8 VAL H . . 4.530 3.399 3.337 3.440 . 0 0 "[ . 1 . 2]" 2
953 1 7 SER QB 1 8 VAL QG . . 8.890 4.094 3.969 4.320 . 0 0 "[ . 1 . 2]" 2
954 1 7 SER QB 1 49 ARG QG . . 6.860 3.865 2.469 4.423 . 0 0 "[ . 1 . 2]" 2
955 1 7 SER QB 1 50 PHE H . . 6.130 4.570 4.092 4.978 . 0 0 "[ . 1 . 2]" 2
956 1 7 SER QB 1 51 HIS HA . . 6.130 3.775 3.231 4.035 . 0 0 "[ . 1 . 2]" 2
957 1 7 SER QB 1 52 GLU H . . 6.130 5.144 4.710 5.364 . 0 0 "[ . 1 . 2]" 2
958 1 8 VAL H 1 49 ARG QD . . 6.130 4.097 3.443 5.546 . 0 0 "[ . 1 . 2]" 2
959 1 8 VAL H 1 50 PHE QB . . 6.130 3.750 3.352 3.947 . 0 0 "[ . 1 . 2]" 2
960 1 8 VAL HA 1 9 TYR QB . . 6.600 4.529 3.978 4.749 . 0 0 "[ . 1 . 2]" 2
961 1 8 VAL HA 1 13 LEU QD . . 8.210 4.906 4.385 6.494 . 0 0 "[ . 1 . 2]" 2
962 1 8 VAL QG 1 9 TYR H . . 6.030 2.821 1.777 3.029 . 0 0 "[ . 1 . 2]" 2
963 1 8 VAL QG 1 10 GLY H . . 7.730 5.095 4.897 5.263 . 0 0 "[ . 1 . 2]" 2
964 1 8 VAL QG 1 10 GLY QA . . 8.880 4.533 4.229 5.138 . 0 0 "[ . 1 . 2]" 2
965 1 8 VAL QG 1 12 THR H . . 7.730 4.008 3.856 4.234 . 0 0 "[ . 1 . 2]" 2
966 1 8 VAL QG 1 12 THR MG . . 7.990 2.248 2.124 2.508 . 0 0 "[ . 1 . 2]" 2
967 1 8 VAL QG 1 13 LEU H . . 7.730 3.312 3.153 4.004 . 0 0 "[ . 1 . 2]" 2
968 1 8 VAL QG 1 13 LEU HA . . 7.370 3.612 3.220 4.500 . 0 0 "[ . 1 . 2]" 2
969 1 8 VAL QG 1 13 LEU QB . . 8.440 4.113 3.332 5.033 . 0 0 "[ . 1 . 2]" 2
970 1 8 VAL QG 1 13 LEU QD . . 9.020 2.196 1.868 3.449 . 0 0 "[ . 1 . 2]" 2
971 1 8 VAL QG 1 16 ILE HB . . 8.210 3.998 3.615 4.453 . 0 0 "[ . 1 . 2]" 2
972 1 8 VAL QG 1 16 ILE MG . . 9.710 3.975 3.362 4.380 . 0 0 "[ . 1 . 2]" 2
973 1 8 VAL QG 1 16 ILE QG . . 8.440 3.600 2.666 4.078 . 0 0 "[ . 1 . 2]" 2
974 1 8 VAL QG 1 16 ILE MD . . 7.990 2.568 1.787 3.764 . 0 0 "[ . 1 . 2]" 2
975 1 8 VAL QG 1 50 PHE H . . 7.730 3.849 3.509 4.678 . 0 0 "[ . 1 . 2]" 2
976 1 8 VAL QG 1 50 PHE QB . . 7.800 3.573 2.950 4.628 . 0 0 "[ . 1 . 2]" 2
977 1 8 VAL QG 1 57 TRP HE3 . . 7.730 4.364 3.846 4.780 . 0 0 "[ . 1 . 2]" 2
978 1 8 VAL QG 1 57 TRP HZ3 . . 6.030 2.472 2.119 2.781 . 0 0 "[ . 1 . 2]" 2
979 1 9 TYR QB 1 11 THR H . . 6.130 3.182 2.716 3.761 . 0 0 "[ . 1 . 2]" 2
980 1 9 TYR QB 1 12 THR H . . 6.130 3.099 2.683 3.567 . 0 0 "[ . 1 . 2]" 2
981 1 9 TYR QB 1 49 ARG HA . . 6.600 4.512 3.988 4.830 . 0 0 "[ . 1 . 2]" 2
982 1 9 TYR QD 1 47 LYS QB . . 8.010 4.114 3.292 5.838 . 0 0 "[ . 1 . 2]" 2
983 1 9 TYR QD 1 49 ARG QG . . 6.650 3.004 2.566 4.338 . 0 0 "[ . 1 . 2]" 2
984 1 9 TYR QD 1 49 ARG QD . . 8.730 4.401 3.384 5.610 . 0 0 "[ . 1 . 2]" 2
985 1 9 TYR QE 1 49 ARG QG . . 6.660 3.479 2.611 6.323 . 0 0 "[ . 1 . 2]" 2
986 1 9 TYR QE 1 49 ARG QD . . 8.730 4.400 2.865 7.449 . 0 0 "[ . 1 . 2]" 2
987 1 10 GLY H 1 21 LEU QD . . 7.730 3.625 3.519 3.768 . 0 0 "[ . 1 . 2]" 2
988 1 10 GLY QA 1 13 LEU H . . 6.130 3.255 3.001 3.395 . 0 0 "[ . 1 . 2]" 2
989 1 10 GLY QA 1 13 LEU QB . . 6.120 2.772 2.191 2.942 . 0 0 "[ . 1 . 2]" 2
990 1 10 GLY QA 1 44 VAL QG . . 7.580 2.948 1.978 3.817 . 0 0 "[ . 1 . 2]" 2
991 1 11 THR H 1 13 LEU QB . . 6.130 5.017 4.502 5.195 . 0 0 "[ . 1 . 2]" 2
992 1 11 THR H 1 21 LEU QD . . 7.730 3.670 3.181 4.080 . 0 0 "[ . 1 . 2]" 2
993 1 11 THR HA 1 14 GLU QB . . 6.130 2.614 2.160 3.366 . 0 0 "[ . 1 . 2]" 2
994 1 11 THR HA 1 14 GLU QG . . 6.130 2.453 2.121 3.153 . 0 0 "[ . 1 . 2]" 2
995 1 12 THR H 1 13 LEU QB . . 6.130 4.091 3.431 4.301 . 0 0 "[ . 1 . 2]" 2
996 1 12 THR HA 1 16 ILE QG . . 6.130 3.761 3.593 3.914 . 0 0 "[ . 1 . 2]" 2
997 1 12 THR HB 1 13 LEU QB . . 6.600 4.701 3.927 4.912 . 0 0 "[ . 1 . 2]" 2
998 1 13 LEU H 1 14 GLU QG . . 6.130 4.029 3.828 4.569 . 0 0 "[ . 1 . 2]" 2
999 1 13 LEU HA 1 24 LEU QD . . 7.730 4.367 3.577 5.747 . 0 0 "[ . 1 . 2]" 2
1000 1 13 LEU QB 1 14 GLU QG . . 6.860 3.172 2.740 3.676 . 0 0 "[ . 1 . 2]" 2
1001 1 13 LEU QB 1 16 ILE H . . 6.130 5.000 4.812 5.131 . 0 0 "[ . 1 . 2]" 2
1002 1 13 LEU QB 1 19 LYS H . . 6.130 4.755 4.427 5.084 . 0 0 "[ . 1 . 2]" 2
1003 1 13 LEU QD 1 15 ALA H . . 7.730 5.080 4.804 5.250 . 0 0 "[ . 1 . 2]" 2
1004 1 13 LEU QD 1 16 ILE H . . 7.330 5.080 4.450 5.342 . 0 0 "[ . 1 . 2]" 2
1005 1 13 LEU QD 1 16 ILE HB . . 7.730 4.402 3.059 5.005 . 0 0 "[ . 1 . 2]" 2
1006 1 13 LEU QD 1 16 ILE MG . . 9.710 4.813 3.458 5.434 . 0 0 "[ . 1 . 2]" 2
1007 1 13 LEU QD 1 16 ILE MD . . 8.030 4.462 3.375 5.646 . 0 0 "[ . 1 . 2]" 2
1008 1 13 LEU QD 1 17 THR H . . 7.330 4.561 2.993 5.063 . 0 0 "[ . 1 . 2]" 2
1009 1 13 LEU QD 1 17 THR HB . . 7.730 4.193 2.364 4.650 . 0 0 "[ . 1 . 2]" 2
1010 1 13 LEU QD 1 17 THR MG . . 7.980 4.204 2.996 4.694 . 0 0 "[ . 1 . 2]" 2
1011 1 13 LEU QD 1 21 LEU QD . . 9.690 2.171 1.944 2.584 . 0 0 "[ . 1 . 2]" 2
1012 1 13 LEU QD 1 24 LEU QD . . 8.530 2.243 1.866 3.544 . 0 0 "[ . 1 . 2]" 2
1013 1 13 LEU QD 1 26 ILE MG . . 9.710 3.740 3.312 4.188 . 0 0 "[ . 1 . 2]" 2
1014 1 13 LEU QD 1 26 ILE QG . . 8.880 3.241 2.453 3.871 . 0 0 "[ . 1 . 2]" 2
1015 1 13 LEU QD 1 26 ILE MD . . 7.990 2.236 1.962 2.649 . 0 0 "[ . 1 . 2]" 2
1016 1 13 LEU QD 1 50 PHE H . . 7.730 3.298 2.900 4.369 . 0 0 "[ . 1 . 2]" 2
1017 1 13 LEU QD 1 50 PHE HA . . 8.210 4.221 3.991 4.961 . 0 0 "[ . 1 . 2]" 2
1018 1 13 LEU QD 1 50 PHE QB . . 7.580 1.948 1.760 2.649 . 0 0 "[ . 1 . 2]" 2
1019 1 13 LEU QD 1 50 PHE QD . . 8.200 2.311 1.963 2.716 . 0 0 "[ . 1 . 2]" 2
1020 1 13 LEU QD 1 57 TRP HA . . 8.210 4.670 4.366 5.058 . 0 0 "[ . 1 . 2]" 2
1021 1 13 LEU QD 1 57 TRP QB . . 8.420 3.086 2.538 3.477 . 0 0 "[ . 1 . 2]" 2
1022 1 13 LEU QD 1 57 TRP HE3 . . 7.370 2.923 2.628 3.456 . 0 0 "[ . 1 . 2]" 2
1023 1 13 LEU QD 1 57 TRP HE1 . . 7.330 3.771 2.828 4.101 . 0 0 "[ . 1 . 2]" 2
1024 1 13 LEU QD 1 57 TRP HZ3 . . 7.370 3.003 2.744 3.700 . 0 0 "[ . 1 . 2]" 2
1025 1 13 LEU QD 1 57 TRP HZ2 . . 7.730 3.568 2.752 4.042 . 0 0 "[ . 1 . 2]" 2
1026 1 13 LEU QD 1 57 TRP HH2 . . 8.210 3.280 2.990 3.701 . 0 0 "[ . 1 . 2]" 2
1027 1 14 GLU H 1 14 GLU QG . . 4.530 2.005 1.894 2.401 . 0 0 "[ . 1 . 2]" 2
1028 1 14 GLU HA 1 21 LEU QD . . 7.730 4.668 4.331 5.225 . 0 0 "[ . 1 . 2]" 2
1029 1 14 GLU QB 1 15 ALA MB . . 7.430 3.732 3.398 4.017 . 0 0 "[ . 1 . 2]" 2
1030 1 14 GLU QB 1 20 SER HA . . 6.130 3.329 2.461 4.805 . 0 0 "[ . 1 . 2]" 2
1031 1 14 GLU QG 1 21 LEU QB . . 6.620 4.427 3.844 5.210 . 0 0 "[ . 1 . 2]" 2
1032 1 15 ALA HA 1 18 LYS QB . . 6.600 4.798 4.049 5.497 . 0 0 "[ . 1 . 2]" 2
1033 1 15 ALA MB 1 16 ILE QG . . 7.430 2.988 2.766 3.198 . 0 0 "[ . 1 . 2]" 2
1034 1 16 ILE H 1 16 ILE QG . . 4.520 2.191 2.057 2.336 . 0 0 "[ . 1 . 2]" 2
1035 1 17 THR HA 1 18 LYS QG . . 6.130 5.133 4.053 6.080 . 0 0 "[ . 1 . 2]" 2
1036 1 17 THR HA 1 19 LYS QB . . 6.130 4.996 4.306 5.727 . 0 0 "[ . 1 . 2]" 2
1037 1 17 THR HA 1 24 LEU QD . . 8.210 4.591 4.250 5.123 . 0 0 "[ . 1 . 2]" 2
1038 1 17 THR HB 1 19 LYS QB . . 6.600 3.114 2.500 4.159 . 0 0 "[ . 1 . 2]" 2
1039 1 17 THR HB 1 19 LYS QG . . 6.130 4.400 3.615 5.565 . 0 0 "[ . 1 . 2]" 2
1040 1 17 THR HB 1 24 LEU QD . . 6.080 2.797 2.068 3.726 . 0 0 "[ . 1 . 2]" 2
1041 1 18 LYS H 1 18 LYS QG . . 4.530 3.416 2.606 4.482 . 0 0 "[ . 1 . 2]" 2
1042 1 18 LYS H 1 18 LYS QD . . 6.130 4.676 2.504 5.323 . 0 0 "[ . 1 . 2]" 2
1043 1 18 LYS HA 1 18 LYS QD . . 4.520 3.819 2.613 4.236 . 0 0 "[ . 1 . 2]" 2
1044 1 19 LYS H 1 19 LYS QG . . 4.530 3.472 2.981 4.281 . 0 0 "[ . 1 . 2]" 2
1045 1 19 LYS H 1 19 LYS QE . . 6.130 5.642 5.168 5.970 . 0 0 "[ . 1 . 2]" 2
1046 1 19 LYS H 1 24 LEU QD . . 7.730 3.909 3.216 4.559 . 0 0 "[ . 1 . 2]" 2
1047 1 19 LYS HA 1 19 LYS QE . . 6.130 4.138 3.386 4.857 . 0 0 "[ . 1 . 2]" 2
1048 1 19 LYS HA 1 20 SER QB . . 6.130 4.343 4.009 4.502 . 0 0 "[ . 1 . 2]" 2
1049 1 19 LYS HA 1 23 ASP QB . . 6.130 3.853 3.348 4.653 . 0 0 "[ . 1 . 2]" 2
1050 1 19 LYS QB 1 23 ASP H . . 6.130 4.447 4.098 5.087 . 0 0 "[ . 1 . 2]" 2
1051 1 19 LYS QB 1 23 ASP QB . . 6.220 2.626 2.074 3.263 . 0 0 "[ . 1 . 2]" 2
1052 1 19 LYS QB 1 24 LEU QD . . 7.990 2.370 1.853 2.933 . 0 0 "[ . 1 . 2]" 2
1053 1 19 LYS QG 1 20 SER H . . 4.530 4.101 3.283 4.561 0.031 11 0 "[ . 1 . 2]" 2
1054 1 19 LYS QG 1 24 LEU QD . . 8.000 3.178 2.242 4.355 . 0 0 "[ . 1 . 2]" 2
1055 1 19 LYS QD 1 23 ASP QB . . 6.440 3.115 2.392 4.319 . 0 0 "[ . 1 . 2]" 2
1056 1 19 LYS QE 1 20 SER H . . 6.130 5.277 3.174 5.813 . 0 0 "[ . 1 . 2]" 2
1057 1 19 LYS QE 1 24 LEU QD . . 8.440 4.569 3.463 5.324 . 0 0 "[ . 1 . 2]" 2
1058 1 20 SER H 1 24 LEU QD . . 7.730 5.020 3.931 5.561 . 0 0 "[ . 1 . 2]" 2
1059 1 20 SER QB 1 23 ASP H . . 4.520 2.975 2.516 3.686 . 0 0 "[ . 1 . 2]" 2
1060 1 20 SER QB 1 23 ASP HA . . 6.600 5.075 4.413 6.091 . 0 0 "[ . 1 . 2]" 2
1061 1 21 LEU H 1 24 LEU QD . . 7.730 5.139 4.107 6.242 . 0 0 "[ . 1 . 2]" 2
1062 1 21 LEU HA 1 24 LEU QD . . 6.020 3.686 2.767 4.649 . 0 0 "[ . 1 . 2]" 2
1063 1 21 LEU QB 1 24 LEU QD . . 8.000 5.023 4.373 5.728 . 0 0 "[ . 1 . 2]" 2
1064 1 21 LEU QD 1 22 TYR H . . 6.080 4.079 3.767 4.258 . 0 0 "[ . 1 . 2]" 2
1065 1 21 LEU QD 1 23 ASP H . . 7.730 5.234 4.872 5.388 . 0 0 "[ . 1 . 2]" 2
1066 1 21 LEU QD 1 40 LYS QG . . 8.000 3.803 2.090 4.925 . 0 0 "[ . 1 . 2]" 2
1067 1 21 LEU QD 1 40 LYS QD . . 7.910 3.510 2.182 4.465 . 0 0 "[ . 1 . 2]" 2
1068 1 21 LEU QD 1 41 GLN HA . . 7.730 4.644 3.211 5.440 . 0 0 "[ . 1 . 2]" 2
1069 1 21 LEU QD 1 41 GLN QE . . 7.980 5.085 3.510 6.924 . 0 0 "[ . 1 . 2]" 2
1070 1 21 LEU QD 1 44 VAL H . . 7.730 4.536 4.202 4.804 . 0 0 "[ . 1 . 2]" 2
1071 1 21 LEU QD 1 44 VAL HB . . 8.210 4.139 3.258 4.518 . 0 0 "[ . 1 . 2]" 2
1072 1 21 LEU QD 1 44 VAL QG . . 8.530 2.057 1.779 2.421 . 0 0 "[ . 1 . 2]" 2
1073 1 22 TYR H 1 23 ASP QB . . 6.130 4.245 3.971 4.491 . 0 0 "[ . 1 . 2]" 2
1074 1 22 TYR HA 1 37 PRO QB . . 6.600 5.058 2.705 6.581 . 0 0 "[ . 1 . 2]" 2
1075 1 22 TYR HA 1 40 LYS QD . . 6.130 3.101 1.997 4.688 . 0 0 "[ . 1 . 2]" 2
1076 1 22 TYR QB 1 24 LEU H . . 6.500 4.785 4.598 5.034 . 0 0 "[ . 1 . 2]" 2
1077 1 22 TYR QB 1 37 PRO QB . . 7.290 5.263 3.678 6.335 . 0 0 "[ . 1 . 2]" 2
1078 1 22 TYR QD 1 40 LYS QD . . 8.260 4.415 2.930 6.261 . 0 0 "[ . 1 . 2]" 2
1079 1 22 TYR QE 1 37 PRO QB . . 8.020 3.746 2.067 6.100 . 0 0 "[ . 1 . 2]" 2
1080 1 22 TYR QE 1 37 PRO QG . . 8.270 3.997 2.321 7.872 . 0 0 "[ . 1 . 2]" 2
1081 1 23 ASP H 1 24 LEU QB . . 6.130 4.106 3.728 4.619 . 0 0 "[ . 1 . 2]" 2
1082 1 23 ASP H 1 24 LEU QD . . 7.730 5.036 3.421 5.486 . 0 0 "[ . 1 . 2]" 2
1083 1 23 ASP QB 1 24 LEU HA . . 6.130 3.969 3.583 4.202 . 0 0 "[ . 1 . 2]" 2
1084 1 23 ASP QB 1 24 LEU QD . . 8.180 4.153 2.462 4.626 . 0 0 "[ . 1 . 2]" 2
1085 1 24 LEU H 1 24 LEU QB . . 3.680 2.267 2.114 2.586 . 0 0 "[ . 1 . 2]" 2
1086 1 24 LEU QB 1 26 ILE QG . . 6.440 2.916 2.117 4.600 . 0 0 "[ . 1 . 2]" 2
1087 1 24 LEU HG 1 26 ILE QG . . 6.130 3.149 2.060 4.939 . 0 0 "[ . 1 . 2]" 2
1088 1 24 LEU QD 1 57 TRP H . . 7.730 4.042 2.850 5.855 . 0 0 "[ . 1 . 2]" 2
1089 1 24 LEU QD 1 57 TRP QB . . 8.880 2.954 2.022 4.457 . 0 0 "[ . 1 . 2]" 2
1090 1 24 LEU QD 1 57 TRP HE1 . . 7.730 3.238 2.741 4.951 . 0 0 "[ . 1 . 2]" 2
1091 1 26 ILE H 1 35 LEU QB . . 4.520 3.816 2.771 4.525 0.005 14 0 "[ . 1 . 2]" 2
1092 1 26 ILE H 1 35 LEU QD . . 7.730 3.952 3.171 4.393 . 0 0 "[ . 1 . 2]" 2
1093 1 26 ILE MG 1 40 LYS QE . . 7.170 4.763 3.764 5.568 . 0 0 "[ . 1 . 2]" 2
1094 1 26 ILE QG 1 40 LYS QE . . 6.620 3.765 2.476 4.926 . 0 0 "[ . 1 . 2]" 2
1095 1 26 ILE QG 1 57 TRP QB . . 6.620 2.104 1.952 2.533 . 0 0 "[ . 1 . 2]" 2
1096 1 26 ILE MD 1 35 LEU QB . . 7.900 4.074 3.306 4.421 . 0 0 "[ . 1 . 2]" 2
1097 1 26 ILE MD 1 40 LYS QD . . 5.830 3.670 2.308 4.772 . 0 0 "[ . 1 . 2]" 2
1098 1 26 ILE MD 1 40 LYS QE . . 5.830 3.279 2.292 4.445 . 0 0 "[ . 1 . 2]" 2
1099 1 27 ARG H 1 27 ARG QG . . 4.530 2.896 2.533 3.818 . 0 0 "[ . 1 . 2]" 2
1100 1 27 ARG H 1 35 LEU QD . . 7.730 3.828 3.103 4.266 . 0 0 "[ . 1 . 2]" 2
1101 1 27 ARG HA 1 34 PRO QD . . 6.610 4.586 4.139 4.905 . 0 0 "[ . 1 . 2]" 2
1102 1 27 ARG QB 1 28 CYS H . . 4.520 2.536 2.163 3.587 . 0 0 "[ . 1 . 2]" 2
1103 1 27 ARG QB 1 34 PRO HA . . 5.880 3.652 3.154 4.031 . 0 0 "[ . 1 . 2]" 2
1104 1 27 ARG QG 1 28 CYS H . . 6.130 3.784 2.564 4.033 . 0 0 "[ . 1 . 2]" 2
1105 1 27 ARG QG 1 34 PRO HA . . 4.530 2.575 2.014 3.817 . 0 0 "[ . 1 . 2]" 2
1106 1 27 ARG QG 1 34 PRO QB . . 6.220 3.354 2.479 5.043 . 0 0 "[ . 1 . 2]" 2
1107 1 27 ARG QG 1 35 LEU H . . 6.130 4.366 3.768 5.152 . 0 0 "[ . 1 . 2]" 2
1108 1 27 ARG QD 1 32 GLN QG . . 6.440 4.199 2.835 5.085 . 0 0 "[ . 1 . 2]" 2
1109 1 27 ARG QD 1 34 PRO HA . . 6.130 4.385 3.745 5.311 . 0 0 "[ . 1 . 2]" 2
1110 1 28 CYS H 1 33 ARG QB . . 6.130 3.987 2.920 4.364 . 0 0 "[ . 1 . 2]" 2
1111 1 28 CYS H 1 33 ARG QG . . 6.130 5.721 5.015 6.136 0.006 17 0 "[ . 1 . 2]" 2
1112 1 28 CYS H 1 34 PRO QD . . 6.140 5.101 4.884 5.482 . 0 0 "[ . 1 . 2]" 2
1113 1 28 CYS HA 1 60 GLN QB . . 6.600 4.338 4.020 4.748 . 0 0 "[ . 1 . 2]" 2
1114 1 28 CYS QB 1 30 ARG H . . 6.130 3.332 2.826 3.483 . 0 0 "[ . 1 . 2]" 2
1115 1 28 CYS QB 1 31 CYS H . . 6.130 2.716 2.404 3.591 . 0 0 "[ . 1 . 2]" 2
1116 1 28 CYS QB 1 32 GLN H . . 4.520 3.098 2.731 4.267 . 0 0 "[ . 1 . 2]" 2
1117 1 28 CYS QB 1 32 GLN HA . . 5.880 4.412 3.901 5.260 . 0 0 "[ . 1 . 2]" 2
1118 1 28 CYS QB 1 33 ARG QB . . 7.290 3.531 2.393 4.766 . 0 0 "[ . 1 . 2]" 2
1119 1 28 CYS QB 1 35 LEU QD . . 7.670 2.430 2.218 3.009 . 0 0 "[ . 1 . 2]" 2
1120 1 28 CYS QB 1 60 GLN HA . . 6.600 2.983 1.811 3.452 . 0 0 "[ . 1 . 2]" 2
1121 1 28 CYS QB 1 61 CYS HA . . 6.130 4.009 3.736 4.265 . 0 0 "[ . 1 . 2]" 2
1122 1 28 CYS QB 1 61 CYS QB . . 6.440 2.650 2.251 3.132 . 0 0 "[ . 1 . 2]" 2
1123 1 29 HIS H 1 30 ARG QB . . 6.130 4.279 3.980 4.475 . 0 0 "[ . 1 . 2]" 2
1124 1 29 HIS H 1 60 GLN QG . . 6.130 5.171 4.557 5.867 . 0 0 "[ . 1 . 2]" 2
1125 1 29 HIS QB 1 31 CYS H . . 6.130 4.965 4.758 5.652 . 0 0 "[ . 1 . 2]" 2
1126 1 29 HIS QB 1 58 THR MG . . 7.430 3.195 1.863 4.940 . 0 0 "[ . 1 . 2]" 2
1127 1 30 ARG H 1 30 ARG QG . . 4.530 4.043 3.231 4.214 . 0 0 "[ . 1 . 2]" 2
1128 1 30 ARG H 1 30 ARG QD . . 6.130 4.525 4.216 4.951 . 0 0 "[ . 1 . 2]" 2
1129 1 30 ARG QB 1 31 CYS QB . . 6.860 4.251 3.955 4.476 . 0 0 "[ . 1 . 2]" 2
1130 1 30 ARG QB 1 64 CYS QB . . 6.120 3.870 2.951 4.236 . 0 0 "[ . 1 . 2]" 2
1131 1 30 ARG QG 1 31 CYS HA . . 6.600 4.337 3.549 5.910 . 0 0 "[ . 1 . 2]" 2
1132 1 30 ARG QG 1 64 CYS QB . . 6.860 4.114 2.143 5.053 . 0 0 "[ . 1 . 2]" 2
1133 1 30 ARG QD 1 64 CYS HA . . 6.130 5.074 4.083 6.190 0.060 15 0 "[ . 1 . 2]" 2
1134 1 30 ARG QD 1 64 CYS QB . . 6.440 3.048 2.165 4.558 . 0 0 "[ . 1 . 2]" 2
1135 1 31 CYS H 1 32 GLN QG . . 6.130 4.586 3.886 6.194 0.064 13 0 "[ . 1 . 2]" 2
1136 1 31 CYS QB 1 32 GLN H . . 4.520 2.921 2.679 3.161 . 0 0 "[ . 1 . 2]" 2
1137 1 31 CYS QB 1 33 ARG QG . . 7.290 3.177 1.982 3.835 . 0 0 "[ . 1 . 2]" 2
1138 1 32 GLN H 1 32 GLN QG . . 4.520 3.251 2.565 4.425 . 0 0 "[ . 1 . 2]" 2
1139 1 32 GLN H 1 33 ARG QB . . 5.850 4.311 4.036 4.413 . 0 0 "[ . 1 . 2]" 2
1140 1 32 GLN QG 1 33 ARG H . . 6.130 4.615 4.236 4.877 . 0 0 "[ . 1 . 2]" 2
1141 1 33 ARG H 1 33 ARG QG . . 4.530 3.491 2.547 3.918 . 0 0 "[ . 1 . 2]" 2
1142 1 33 ARG H 1 61 CYS QB . . 6.130 5.723 5.108 6.176 0.046 3 0 "[ . 1 . 2]" 2
1143 1 33 ARG HA 1 34 PRO QG . . 5.930 3.883 3.679 4.082 . 0 0 "[ . 1 . 2]" 2
1144 1 33 ARG QB 1 34 PRO QD . . 6.220 2.656 2.273 3.614 . 0 0 "[ . 1 . 2]" 2
1145 1 33 ARG QG 1 34 PRO QD . . 6.450 3.033 2.391 3.730 . 0 0 "[ . 1 . 2]" 2
1146 1 33 ARG QD 1 34 PRO QG . . 7.300 5.900 5.473 6.701 . 0 0 "[ . 1 . 2]" 2
1147 1 33 ARG QD 1 34 PRO QD . . 6.450 4.208 3.704 4.997 . 0 0 "[ . 1 . 2]" 2
1148 1 34 PRO HA 1 35 LEU QD . . 7.730 3.381 3.008 3.957 . 0 0 "[ . 1 . 2]" 2
1149 1 34 PRO QB 1 35 LEU H . . 4.450 2.976 2.597 3.353 . 0 0 "[ . 1 . 2]" 2
1150 1 34 PRO QB 1 35 LEU HA . . 6.600 4.486 4.219 4.712 . 0 0 "[ . 1 . 2]" 2
1151 1 34 PRO QG 1 35 LEU H . . 5.860 4.549 4.307 4.827 . 0 0 "[ . 1 . 2]" 2
1152 1 34 PRO QG 1 36 GLY QA . . 6.860 5.776 4.621 6.497 . 0 0 "[ . 1 . 2]" 2
1153 1 35 LEU H 1 35 LEU QB . . 3.730 2.363 2.199 2.573 . 0 0 "[ . 1 . 2]" 2
1154 1 35 LEU H 1 36 GLY QA . . 6.130 5.050 4.831 5.290 . 0 0 "[ . 1 . 2]" 2
1155 1 35 LEU H 1 40 LYS QE . . 6.130 3.840 3.134 4.407 . 0 0 "[ . 1 . 2]" 2
1156 1 35 LEU QB 1 36 GLY H . . 4.520 3.082 2.869 3.474 . 0 0 "[ . 1 . 2]" 2
1157 1 35 LEU QB 1 39 GLU H . . 6.130 4.437 4.070 5.211 . 0 0 "[ . 1 . 2]" 2
1158 1 35 LEU QB 1 39 GLU QB . . 5.340 2.238 1.871 3.132 . 0 0 "[ . 1 . 2]" 2
1159 1 35 LEU QB 1 39 GLU QG . . 6.860 3.670 2.591 4.886 . 0 0 "[ . 1 . 2]" 2
1160 1 35 LEU QB 1 40 LYS HA . . 6.600 3.962 3.389 5.292 . 0 0 "[ . 1 . 2]" 2
1161 1 35 LEU QB 1 40 LYS QG . . 7.290 2.491 1.972 3.802 . 0 0 "[ . 1 . 2]" 2
1162 1 35 LEU QB 1 40 LYS QE . . 7.290 2.447 1.961 2.931 . 0 0 "[ . 1 . 2]" 2
1163 1 35 LEU HG 1 39 GLU QG . . 6.130 4.186 1.973 6.291 0.161 1 0 "[ . 1 . 2]" 2
1164 1 35 LEU HG 1 61 CYS QB . . 6.130 3.071 1.987 4.812 . 0 0 "[ . 1 . 2]" 2
1165 1 35 LEU QD 1 36 GLY H . . 6.080 3.999 3.504 4.240 . 0 0 "[ . 1 . 2]" 2
1166 1 35 LEU QD 1 39 GLU HA . . 7.730 4.408 3.770 5.929 . 0 0 "[ . 1 . 2]" 2
1167 1 35 LEU QD 1 39 GLU QB . . 7.900 2.548 2.169 3.857 . 0 0 "[ . 1 . 2]" 2
1168 1 35 LEU QD 1 39 GLU QG . . 7.670 3.618 1.893 5.198 . 0 0 "[ . 1 . 2]" 2
1169 1 35 LEU QD 1 40 LYS H . . 7.730 3.884 3.512 4.758 . 0 0 "[ . 1 . 2]" 2
1170 1 35 LEU QD 1 40 LYS HA . . 7.730 3.222 2.505 4.239 . 0 0 "[ . 1 . 2]" 2
1171 1 35 LEU QD 1 40 LYS QB . . 8.880 4.168 3.396 4.792 . 0 0 "[ . 1 . 2]" 2
1172 1 35 LEU QD 1 40 LYS QG . . 8.440 2.862 2.142 4.010 . 0 0 "[ . 1 . 2]" 2
1173 1 35 LEU QD 1 40 LYS QE . . 7.910 3.424 2.793 4.148 . 0 0 "[ . 1 . 2]" 2
1174 1 35 LEU QD 1 58 THR HA . . 8.210 4.130 3.753 4.536 . 0 0 "[ . 1 . 2]" 2
1175 1 35 LEU QD 1 59 GLY QA . . 7.670 2.725 2.056 3.386 . 0 0 "[ . 1 . 2]" 2
1176 1 35 LEU QD 1 60 GLN H . . 7.730 2.787 2.014 3.600 . 0 0 "[ . 1 . 2]" 2
1177 1 35 LEU QD 1 61 CYS H . . 6.080 2.979 2.594 3.597 . 0 0 "[ . 1 . 2]" 2
1178 1 35 LEU QD 1 61 CYS HA . . 6.080 2.613 2.081 3.706 . 0 0 "[ . 1 . 2]" 2
1179 1 35 LEU QD 1 62 ALA H . . 6.080 3.967 3.294 5.249 . 0 0 "[ . 1 . 2]" 2
1180 1 36 GLY H 1 39 GLU QG . . 6.130 2.869 1.773 3.833 . 0 0 "[ . 1 . 2]" 2
1181 1 36 GLY QA 1 37 PRO QB . . 6.790 4.335 4.203 4.416 . 0 0 "[ . 1 . 2]" 2
1182 1 36 GLY QA 1 38 GLU H . . 6.130 3.535 3.091 4.043 . 0 0 "[ . 1 . 2]" 2
1183 1 36 GLY QA 1 39 GLU H . . 6.130 3.760 3.259 4.333 . 0 0 "[ . 1 . 2]" 2
1184 1 36 GLY QA 1 40 LYS H . . 6.130 4.567 4.222 5.112 . 0 0 "[ . 1 . 2]" 2
1185 1 37 PRO HA 1 40 LYS QB . . 6.130 2.822 2.314 3.378 . 0 0 "[ . 1 . 2]" 2
1186 1 37 PRO HA 1 40 LYS QD . . 4.530 3.038 2.466 4.558 0.028 7 0 "[ . 1 . 2]" 2
1187 1 37 PRO QB 1 39 GLU H . . 6.140 4.880 4.366 5.375 . 0 0 "[ . 1 . 2]" 2
1188 1 37 PRO QD 1 39 GLU H . . 6.140 4.206 3.668 4.669 . 0 0 "[ . 1 . 2]" 2
1189 1 38 GLU H 1 38 GLU QG . . 4.530 3.204 1.991 3.997 . 0 0 "[ . 1 . 2]" 2
1190 1 38 GLU HA 1 40 LYS QB . . 6.130 5.158 4.704 5.500 . 0 0 "[ . 1 . 2]" 2
1191 1 38 GLU HA 1 41 GLN QB . . 6.130 2.603 1.910 4.483 . 0 0 "[ . 1 . 2]" 2
1192 1 38 GLU QB 1 39 GLU H . . 4.520 2.685 2.080 3.507 . 0 0 "[ . 1 . 2]" 2
1193 1 39 GLU H 1 39 GLU QG . . 4.520 2.464 1.908 3.355 . 0 0 "[ . 1 . 2]" 2
1194 1 39 GLU H 1 40 LYS QB . . 6.130 4.620 4.184 4.940 . 0 0 "[ . 1 . 2]" 2
1195 1 39 GLU HA 1 42 LYS QB . . 4.520 3.006 2.280 3.889 . 0 0 "[ . 1 . 2]" 2
1196 1 39 GLU QB 1 40 LYS HA . . 6.600 3.815 3.508 4.061 . 0 0 "[ . 1 . 2]" 2
1197 1 39 GLU QB 1 42 LYS H . . 6.130 4.768 4.438 5.415 . 0 0 "[ . 1 . 2]" 2
1198 1 39 GLU QB 1 43 LEU QD . . 8.430 3.322 2.155 4.043 . 0 0 "[ . 1 . 2]" 2
1199 1 39 GLU QB 1 62 ALA MB . . 7.430 3.383 2.524 4.502 . 0 0 "[ . 1 . 2]" 2
1200 1 39 GLU QG 1 62 ALA H . . 6.130 2.527 1.766 4.085 . 0 0 "[ . 1 . 2]" 2
1201 1 40 LYS H 1 40 LYS QD . . 6.130 3.893 3.479 4.602 . 0 0 "[ . 1 . 2]" 2
1202 1 40 LYS H 1 40 LYS QE . . 6.130 4.175 3.341 4.684 . 0 0 "[ . 1 . 2]" 2
1203 1 40 LYS H 1 41 GLN QB . . 6.130 4.440 4.064 5.209 . 0 0 "[ . 1 . 2]" 2
1204 1 40 LYS HA 1 43 LEU QB . . 5.880 3.257 2.747 3.866 . 0 0 "[ . 1 . 2]" 2
1205 1 40 LYS HA 1 43 LEU QD . . 6.080 2.446 1.947 3.172 . 0 0 "[ . 1 . 2]" 2
1206 1 40 LYS QB 1 41 GLN HA . . 6.130 3.985 3.757 4.268 . 0 0 "[ . 1 . 2]" 2
1207 1 40 LYS QB 1 44 VAL QG . . 8.080 3.595 2.964 4.740 . 0 0 "[ . 1 . 2]" 2
1208 1 40 LYS QG 1 41 GLN H . . 6.130 4.049 3.831 4.420 . 0 0 "[ . 1 . 2]" 2
1209 1 40 LYS QG 1 43 LEU QD . . 8.000 3.517 2.508 4.188 . 0 0 "[ . 1 . 2]" 2
1210 1 40 LYS QD 1 41 GLN H . . 6.130 4.762 4.521 5.302 . 0 0 "[ . 1 . 2]" 2
1211 1 40 LYS QD 1 50 PHE QE . . 8.730 4.478 2.819 5.429 . 0 0 "[ . 1 . 2]" 2
1212 1 41 GLN H 1 41 GLN QE . . 5.800 4.564 4.159 4.845 . 0 0 "[ . 1 . 2]" 2
1213 1 41 GLN H 1 42 LYS QB . . 6.130 4.572 4.107 5.024 . 0 0 "[ . 1 . 2]" 2
1214 1 41 GLN H 1 44 VAL QG . . 7.730 4.504 3.988 4.917 . 0 0 "[ . 1 . 2]" 2
1215 1 41 GLN HA 1 44 VAL QG . . 6.030 3.081 2.447 3.724 . 0 0 "[ . 1 . 2]" 2
1216 1 41 GLN QB 1 45 ASP H . . 6.130 4.811 4.244 5.202 . 0 0 "[ . 1 . 2]" 2
1217 1 41 GLN QG 1 44 VAL QG . . 8.890 4.500 3.705 5.253 . 0 0 "[ . 1 . 2]" 2
1218 1 41 GLN QE 1 44 VAL QG . . 6.460 3.101 2.348 4.445 . 0 0 "[ . 1 . 2]" 2
1219 1 41 GLN QE 1 45 ASP QB . . 6.420 3.068 1.783 4.363 . 0 0 "[ . 1 . 2]" 2
1220 1 42 LYS H 1 42 LYS QD . . 6.130 4.276 3.760 4.900 . 0 0 "[ . 1 . 2]" 2
1221 1 42 LYS H 1 43 LEU QB . . 6.130 4.655 4.469 4.788 . 0 0 "[ . 1 . 2]" 2
1222 1 42 LYS H 1 43 LEU QD . . 7.730 4.314 4.278 4.369 . 0 0 "[ . 1 . 2]" 2
1223 1 42 LYS HA 1 42 LYS QD . . 4.520 2.314 1.853 3.968 . 0 0 "[ . 1 . 2]" 2
1224 1 42 LYS HA 1 42 LYS QE . . 6.130 3.350 1.857 4.219 . 0 0 "[ . 1 . 2]" 2
1225 1 42 LYS HA 1 46 GLU QG . . 6.130 3.918 3.205 4.483 . 0 0 "[ . 1 . 2]" 2
1226 1 42 LYS QB 1 43 LEU HA . . 6.130 3.989 3.832 4.433 . 0 0 "[ . 1 . 2]" 2
1227 1 42 LYS QB 1 43 LEU QD . . 7.900 3.283 3.067 3.603 . 0 0 "[ . 1 . 2]" 2
1228 1 42 LYS QB 1 45 ASP QB . . 7.290 3.782 3.108 4.471 . 0 0 "[ . 1 . 2]" 2
1229 1 42 LYS QB 1 65 TRP HZ3 . . 6.130 2.113 1.840 3.692 . 0 0 "[ . 1 . 2]" 2
1230 1 42 LYS QG 1 46 GLU QG . . 6.620 4.344 2.391 5.007 . 0 0 "[ . 1 . 2]" 2
1231 1 42 LYS QG 1 65 TRP HZ3 . . 6.130 3.477 1.807 4.694 . 0 0 "[ . 1 . 2]" 2
1232 1 42 LYS QD 1 43 LEU H . . 6.130 4.839 4.229 5.691 . 0 0 "[ . 1 . 2]" 2
1233 1 42 LYS QD 1 43 LEU HG . . 6.130 5.876 5.248 6.208 0.078 2 0 "[ . 1 . 2]" 2
1234 1 42 LYS QD 1 65 TRP HH2 . . 6.600 4.263 2.457 5.777 . 0 0 "[ . 1 . 2]" 2
1235 1 42 LYS QE 1 65 TRP HZ2 . . 6.130 5.754 4.916 6.227 0.097 3 0 "[ . 1 . 2]" 2
1236 1 43 LEU H 1 44 VAL QG . . 7.730 3.902 3.678 4.193 . 0 0 "[ . 1 . 2]" 2
1237 1 43 LEU HA 1 46 GLU QB . . 6.130 3.554 3.242 4.335 . 0 0 "[ . 1 . 2]" 2
1238 1 43 LEU HA 1 48 LYS QG . . 6.130 3.388 2.150 4.081 . 0 0 "[ . 1 . 2]" 2
1239 1 43 LEU HA 1 48 LYS QD . . 6.600 3.845 3.022 5.012 . 0 0 "[ . 1 . 2]" 2
1240 1 43 LEU QB 1 44 VAL H . . 4.520 2.429 2.177 2.714 . 0 0 "[ . 1 . 2]" 2
1241 1 43 LEU QB 1 44 VAL QG . . 7.780 2.984 2.797 3.234 . 0 0 "[ . 1 . 2]" 2
1242 1 43 LEU QB 1 45 ASP H . . 6.130 4.451 4.255 4.621 . 0 0 "[ . 1 . 2]" 2
1243 1 43 LEU QB 1 46 GLU H . . 6.130 4.991 4.839 5.275 . 0 0 "[ . 1 . 2]" 2
1244 1 43 LEU QB 1 47 LYS H . . 6.130 5.213 4.850 5.528 . 0 0 "[ . 1 . 2]" 2
1245 1 43 LEU QB 1 48 LYS QB . . 6.130 2.297 1.847 2.882 . 0 0 "[ . 1 . 2]" 2
1246 1 43 LEU QB 1 65 TRP HH2 . . 6.600 5.174 4.254 5.536 . 0 0 "[ . 1 . 2]" 2
1247 1 43 LEU HG 1 44 VAL QG . . 8.210 4.703 4.548 4.937 . 0 0 "[ . 1 . 2]" 2
1248 1 43 LEU QD 1 44 VAL QG . . 10.670 3.999 3.866 4.200 . 0 0 "[ . 1 . 2]" 2
1249 1 43 LEU QD 1 46 GLU H . . 7.730 4.848 4.599 5.059 . 0 0 "[ . 1 . 2]" 2
1250 1 43 LEU QD 1 48 LYS HA . . 7.730 4.836 4.598 5.075 . 0 0 "[ . 1 . 2]" 2
1251 1 43 LEU QD 1 48 LYS QB . . 6.800 2.516 2.283 2.716 . 0 0 "[ . 1 . 2]" 2
1252 1 43 LEU QD 1 48 LYS QG . . 8.000 2.721 2.176 3.279 . 0 0 "[ . 1 . 2]" 2
1253 1 43 LEU QD 1 48 LYS QD . . 8.000 3.693 3.084 4.245 . 0 0 "[ . 1 . 2]" 2
1254 1 43 LEU QD 1 48 LYS QE . . 10.520 4.281 2.266 4.971 . 0 0 "[ . 1 . 2]" 2
1255 1 43 LEU QD 1 49 ARG H . . 7.730 4.612 3.957 5.649 . 0 0 "[ . 1 . 2]" 2
1256 1 43 LEU QD 1 50 PHE QD . . 9.860 3.232 2.664 3.836 . 0 0 "[ . 1 . 2]" 2
1257 1 43 LEU QD 1 50 PHE QE . . 8.210 2.234 1.886 2.688 . 0 0 "[ . 1 . 2]" 2
1258 1 43 LEU QD 1 50 PHE HZ . . 7.730 2.969 2.467 3.638 . 0 0 "[ . 1 . 2]" 2
1259 1 43 LEU QD 1 59 GLY QA . . 6.780 3.322 2.427 3.824 . 0 0 "[ . 1 . 2]" 2
1260 1 43 LEU QD 1 60 GLN H . . 7.730 2.941 2.044 3.428 . 0 0 "[ . 1 . 2]" 2
1261 1 43 LEU QD 1 60 GLN QB . . 7.900 3.583 2.099 4.278 . 0 0 "[ . 1 . 2]" 2
1262 1 43 LEU QD 1 60 GLN QG . . 8.180 4.018 3.158 5.154 . 0 0 "[ . 1 . 2]" 2
1263 1 43 LEU QD 1 61 CYS HA . . 7.730 3.763 2.624 5.159 . 0 0 "[ . 1 . 2]" 2
1264 1 43 LEU QD 1 62 ALA MB . . 10.180 3.953 2.702 5.930 . 0 0 "[ . 1 . 2]" 2
1265 1 43 LEU QD 1 65 TRP HE3 . . 8.210 3.161 2.566 4.083 . 0 0 "[ . 1 . 2]" 2
1266 1 43 LEU QD 1 65 TRP HZ3 . . 7.730 2.617 2.129 3.061 . 0 0 "[ . 1 . 2]" 2
1267 1 43 LEU QD 1 65 TRP HZ2 . . 7.730 4.245 3.231 4.806 . 0 0 "[ . 1 . 2]" 2
1268 1 43 LEU QD 1 65 TRP HH2 . . 6.050 3.243 2.257 4.013 . 0 0 "[ . 1 . 2]" 2
1269 1 44 VAL H 1 48 LYS QB . . 6.130 4.725 4.261 5.249 . 0 0 "[ . 1 . 2]" 2
1270 1 44 VAL QG 1 45 ASP HA . . 7.730 3.571 3.106 3.735 . 0 0 "[ . 1 . 2]" 2
1271 1 44 VAL QG 1 50 PHE QE . . 8.190 2.915 2.114 3.704 . 0 0 "[ . 1 . 2]" 2
1272 1 44 VAL QG 1 50 PHE HZ . . 6.050 2.836 2.000 3.579 . 0 0 "[ . 1 . 2]" 2
1273 1 45 ASP QB 1 46 GLU H . . 4.520 2.309 1.996 2.585 . 0 0 "[ . 1 . 2]" 2
1274 1 46 GLU H 1 46 GLU QG . . 4.530 2.520 2.267 2.795 . 0 0 "[ . 1 . 2]" 2
1275 1 46 GLU H 1 47 LYS QB . . 6.130 5.237 4.823 5.407 . 0 0 "[ . 1 . 2]" 2
1276 1 46 GLU H 1 47 LYS QG . . 6.130 5.362 3.996 6.210 0.080 5 0 "[ . 1 . 2]" 2
1277 1 46 GLU H 1 48 LYS QD . . 6.130 4.848 3.737 6.183 0.053 6 0 "[ . 1 . 2]" 2
1278 1 46 GLU QB 1 48 LYS QD . . 6.860 2.907 1.905 4.394 . 0 0 "[ . 1 . 2]" 2
1279 1 46 GLU QB 1 48 LYS QE . . 8.500 3.708 2.323 5.445 . 0 0 "[ . 1 . 2]" 2
1280 1 46 GLU QB 1 65 TRP HZ2 . . 6.130 3.694 2.090 4.526 . 0 0 "[ . 1 . 2]" 2
1281 1 46 GLU QB 1 65 TRP HH2 . . 6.600 2.580 1.825 4.064 . 0 0 "[ . 1 . 2]" 2
1282 1 46 GLU QG 1 47 LYS H . . 6.130 4.327 4.126 4.460 . 0 0 "[ . 1 . 2]" 2
1283 1 46 GLU QG 1 48 LYS H . . 6.130 5.479 4.769 6.070 . 0 0 "[ . 1 . 2]" 2
1284 1 46 GLU QG 1 48 LYS QD . . 6.220 4.668 3.731 6.181 . 0 0 "[ . 1 . 2]" 2
1285 1 46 GLU QG 1 65 TRP HH2 . . 4.520 3.116 2.273 3.896 . 0 0 "[ . 1 . 2]" 2
1286 1 47 LYS H 1 47 LYS QG . . 4.530 3.302 2.471 4.217 . 0 0 "[ . 1 . 2]" 2
1287 1 47 LYS H 1 48 LYS QB . . 6.130 4.370 3.946 4.696 . 0 0 "[ . 1 . 2]" 2
1288 1 47 LYS HA 1 47 LYS QE . . 6.130 4.328 1.896 5.145 . 0 0 "[ . 1 . 2]" 2
1289 1 48 LYS H 1 48 LYS QG . . 4.530 3.572 2.498 4.100 . 0 0 "[ . 1 . 2]" 2
1290 1 48 LYS QB 1 49 ARG H . . 4.520 2.631 2.073 3.945 . 0 0 "[ . 1 . 2]" 2
1291 1 48 LYS QG 1 65 TRP HZ2 . . 4.520 3.497 2.601 4.552 0.032 14 0 "[ . 1 . 2]" 2
1292 1 48 LYS QG 1 65 TRP HH2 . . 4.520 3.583 2.114 4.541 0.021 17 0 "[ . 1 . 2]" 2
1293 1 48 LYS QD 1 65 TRP HH2 . . 6.130 3.431 2.322 5.803 . 0 0 "[ . 1 . 2]" 2
1294 1 49 ARG H 1 49 ARG QG . . 4.530 2.939 2.361 3.973 . 0 0 "[ . 1 . 2]" 2
1295 1 49 ARG H 1 49 ARG QD . . 4.530 4.138 2.794 4.599 0.069 10 0 "[ . 1 . 2]" 2
1296 1 49 ARG QB 1 50 PHE H . . 4.520 2.652 2.433 2.878 . 0 0 "[ . 1 . 2]" 2
1297 1 49 ARG QB 1 51 HIS H . . 6.130 5.364 5.142 5.650 . 0 0 "[ . 1 . 2]" 2
1298 1 49 ARG QG 1 50 PHE H . . 6.130 3.847 3.522 4.235 . 0 0 "[ . 1 . 2]" 2
1299 1 49 ARG QD 1 50 PHE H . . 6.130 4.711 4.332 5.446 . 0 0 "[ . 1 . 2]" 2
1300 1 50 PHE QB 1 51 HIS H . . 4.520 2.644 2.403 2.865 . 0 0 "[ . 1 . 2]" 2
1301 1 50 PHE QB 1 52 GLU H . . 6.130 4.825 4.504 4.986 . 0 0 "[ . 1 . 2]" 2
1302 1 50 PHE QB 1 57 TRP HE3 . . 6.130 2.516 2.242 2.835 . 0 0 "[ . 1 . 2]" 2
1303 1 50 PHE QB 1 58 THR H . . 6.130 3.717 3.325 4.080 . 0 0 "[ . 1 . 2]" 2
1304 1 50 PHE QB 1 59 GLY QA . . 6.850 4.194 3.469 4.871 . 0 0 "[ . 1 . 2]" 2
1305 1 51 HIS QB 1 53 ILE MG . . 7.890 3.960 2.762 6.327 . 0 0 "[ . 1 . 2]" 2
1306 1 51 HIS QB 1 58 THR MG . . 7.890 4.297 3.359 4.845 . 0 0 "[ . 1 . 2]" 2
1307 1 52 GLU HA 1 57 TRP QB . . 6.130 4.112 4.005 4.289 . 0 0 "[ . 1 . 2]" 2
1308 1 52 GLU QB 1 57 TRP HA . . 6.600 3.879 3.562 4.284 . 0 0 "[ . 1 . 2]" 2
1309 1 52 GLU QB 1 57 TRP HZ3 . . 6.600 2.970 2.585 3.339 . 0 0 "[ . 1 . 2]" 2
1310 1 52 GLU QB 1 57 TRP HZ2 . . 6.600 3.453 3.198 3.685 . 0 0 "[ . 1 . 2]" 2
1311 1 52 GLU QG 1 53 ILE H . . 4.520 2.824 2.317 3.596 . 0 0 "[ . 1 . 2]" 2
1312 1 52 GLU QG 1 53 ILE MG . . 7.900 4.658 4.304 5.644 . 0 0 "[ . 1 . 2]" 2
1313 1 52 GLU QG 1 55 GLY H . . 4.520 2.510 2.024 3.644 . 0 0 "[ . 1 . 2]" 2
1314 1 52 GLU QG 1 55 GLY HA2 . . 5.880 2.782 2.309 3.893 . 0 0 "[ . 1 . 2]" 2
1315 1 52 GLU QG 1 55 GLY HA3 . . 5.880 4.126 3.719 5.214 . 0 0 "[ . 1 . 2]" 2
1316 1 52 GLU QG 1 56 ARG H . . 4.520 3.102 2.476 4.247 . 0 0 "[ . 1 . 2]" 2
1317 1 52 GLU QG 1 57 TRP H . . 6.130 4.641 4.141 5.401 . 0 0 "[ . 1 . 2]" 2
1318 1 52 GLU QG 1 57 TRP HE1 . . 6.130 4.165 3.642 4.652 . 0 0 "[ . 1 . 2]" 2
1319 1 53 ILE H 1 56 ARG QB . . 6.130 3.690 3.245 4.477 . 0 0 "[ . 1 . 2]" 2
1320 1 53 ILE QG 1 54 ALA H . . 4.520 4.296 3.993 4.531 0.011 1 0 "[ . 1 . 2]" 2
1321 1 53 ILE QG 1 54 ALA MB . . 5.830 3.695 3.087 5.040 . 0 0 "[ . 1 . 2]" 2
1322 1 53 ILE QG 1 56 ARG QG . . 6.440 4.715 3.506 6.048 . 0 0 "[ . 1 . 2]" 2
1323 1 54 ALA MB 1 56 ARG QB . . 7.430 3.664 2.918 4.250 . 0 0 "[ . 1 . 2]" 2
1324 1 54 ALA MB 1 56 ARG QG . . 7.430 4.089 2.684 5.291 . 0 0 "[ . 1 . 2]" 2
1325 1 55 GLY H 1 56 ARG QG . . 6.130 5.233 4.251 6.179 0.049 15 0 "[ . 1 . 2]" 2
1326 1 55 GLY HA3 1 56 ARG QG . . 6.600 4.616 3.652 6.396 . 0 0 "[ . 1 . 2]" 2
1327 1 56 ARG H 1 56 ARG QG . . 3.760 3.270 2.282 3.904 0.144 5 0 "[ . 1 . 2]" 2
1328 1 56 ARG H 1 56 ARG QD . . 6.130 4.220 2.627 5.124 . 0 0 "[ . 1 . 2]" 2
1329 1 56 ARG QG 1 57 TRP H . . 6.130 3.868 2.341 4.772 . 0 0 "[ . 1 . 2]" 2
1330 1 56 ARG QG 1 58 THR MG . . 7.430 5.424 2.644 7.099 . 0 0 "[ . 1 . 2]" 2
1331 1 57 TRP QB 1 58 THR HA . . 6.130 4.038 3.815 4.138 . 0 0 "[ . 1 . 2]" 2
1332 1 59 GLY QA 1 60 GLN QB . . 6.850 3.729 3.596 3.854 . 0 0 "[ . 1 . 2]" 2
1333 1 60 GLN QB 1 61 CYS H . . 4.520 3.703 3.471 3.790 . 0 0 "[ . 1 . 2]" 2
1334 1 60 GLN QB 1 65 TRP QB . . 6.860 3.644 3.027 4.064 . 0 0 "[ . 1 . 2]" 2
1335 1 60 GLN QB 1 65 TRP HE1 . . 6.130 5.904 5.084 6.222 0.092 9 0 "[ . 1 . 2]" 2
1336 1 60 GLN QG 1 62 ALA HA . . 6.130 3.999 3.438 4.496 . 0 0 "[ . 1 . 2]" 2
1337 1 60 GLN QG 1 63 ASN H . . 6.130 5.235 4.959 5.725 . 0 0 "[ . 1 . 2]" 2
1338 1 60 GLN QG 1 64 CYS QB . . 6.220 3.334 2.077 4.788 . 0 0 "[ . 1 . 2]" 2
1339 1 60 GLN QG 1 65 TRP QB . . 6.440 2.027 1.777 2.368 . 0 0 "[ . 1 . 2]" 2
1340 1 60 GLN QG 1 65 TRP HE3 . . 6.600 4.511 3.137 5.375 . 0 0 "[ . 1 . 2]" 2
1341 1 60 GLN QE 1 64 CYS QB . . 6.840 3.975 2.594 5.632 . 0 0 "[ . 1 . 2]" 2
1342 1 60 GLN QE 1 65 TRP HA . . 6.110 3.387 2.387 4.484 . 0 0 "[ . 1 . 2]" 2
1343 1 60 GLN QE 1 65 TRP QB . . 6.840 3.186 1.809 4.599 . 0 0 "[ . 1 . 2]" 2
1344 1 61 CYS H 1 64 CYS QB . . 6.130 4.857 3.678 5.795 . 0 0 "[ . 1 . 2]" 2
1345 1 61 CYS H 1 65 TRP QB . . 6.130 4.762 4.036 5.319 . 0 0 "[ . 1 . 2]" 2
1346 1 61 CYS QB 1 62 ALA MB . . 7.890 3.996 3.796 4.277 . 0 0 "[ . 1 . 2]" 2
1347 1 61 CYS QB 1 63 ASN H . . 6.130 2.704 2.477 2.993 . 0 0 "[ . 1 . 2]" 2
1348 1 61 CYS QB 1 64 CYS H . . 6.130 3.998 3.678 4.312 . 0 0 "[ . 1 . 2]" 2
1349 1 62 ALA H 1 63 ASN QB . . 6.130 4.446 4.081 4.827 . 0 0 "[ . 1 . 2]" 2
1350 1 62 ALA H 1 65 TRP QB . . 6.130 4.010 3.723 4.288 . 0 0 "[ . 1 . 2]" 2
1351 1 62 ALA MB 1 63 ASN QB . . 7.170 4.255 3.926 4.872 . 0 0 "[ . 1 . 2]" 2
1352 1 63 ASN H 1 65 TRP QB . . 6.130 4.475 4.163 4.681 . 0 0 "[ . 1 . 2]" 2
1353 1 63 ASN HA 1 66 GLN QB . . 6.130 4.021 2.758 5.155 . 0 0 "[ . 1 . 2]" 2
1354 1 63 ASN QB 1 64 CYS H . . 4.520 2.524 2.134 3.022 . 0 0 "[ . 1 . 2]" 2
1355 1 63 ASN QD 1 64 CYS H . . 6.390 4.813 4.355 5.342 . 0 0 "[ . 1 . 2]" 2
1356 1 64 CYS H 1 65 TRP QB . . 6.130 3.953 3.720 4.159 . 0 0 "[ . 1 . 2]" 2
1357 1 64 CYS H 1 67 ARG QB . . 6.130 5.322 4.438 6.112 . 0 0 "[ . 1 . 2]" 2
1358 1 64 CYS QB 1 65 TRP H . . 4.520 3.026 2.274 3.708 . 0 0 "[ . 1 . 2]" 2
1359 1 64 CYS QB 1 67 ARG QB . . 7.290 4.259 3.467 5.011 . 0 0 "[ . 1 . 2]" 2
1360 1 65 TRP H 1 66 GLN QB . . 6.130 4.668 4.228 5.193 . 0 0 "[ . 1 . 2]" 2
1361 1 65 TRP QB 1 66 GLN H . . 4.530 2.572 2.257 3.031 . 0 0 "[ . 1 . 2]" 2
1362 1 65 TRP HZ2 1 69 ARG QD . . 6.600 4.692 2.891 6.637 0.037 17 0 "[ . 1 . 2]" 2
1363 1 66 GLN H 1 66 GLN QG . . 4.530 3.283 2.148 4.080 . 0 0 "[ . 1 . 2]" 2
1364 1 66 GLN H 1 67 ARG QB . . 6.130 4.478 3.690 4.959 . 0 0 "[ . 1 . 2]" 2
1365 1 66 GLN HA 1 69 ARG QG . . 6.130 2.831 1.828 6.122 . 0 0 "[ . 1 . 2]" 2
1366 1 66 GLN QG 1 67 ARG H . . 6.130 4.436 3.998 4.874 . 0 0 "[ . 1 . 2]" 2
1367 1 68 THR HA 1 69 ARG QB . . 6.130 5.141 4.560 5.381 . 0 0 "[ . 1 . 2]" 2
1368 1 68 THR HA 1 69 ARG QG . . 6.130 5.293 4.579 6.322 0.192 16 0 "[ . 1 . 2]" 2
1369 1 68 THR HA 1 69 ARG QD . . 6.600 5.587 4.452 6.606 0.006 8 0 "[ . 1 . 2]" 2
1370 1 68 THR HB 1 69 ARG QB . . 6.600 4.977 3.357 5.889 . 0 0 "[ . 1 . 2]" 2
1371 1 68 THR HB 1 69 ARG QG . . 6.600 4.426 2.765 6.581 . 0 0 "[ . 1 . 2]" 2
1372 1 68 THR MG 1 69 ARG QB . . 7.430 5.168 3.607 5.570 . 0 0 "[ . 1 . 2]" 2
1373 1 69 ARG H 1 69 ARG QG . . 4.530 3.070 2.312 4.322 . 0 0 "[ . 1 . 2]" 2
1374 1 69 ARG QB 1 70 GLN HA . . 6.130 4.396 3.739 4.840 . 0 0 "[ . 1 . 2]" 2
1375 1 71 ARG H 1 71 ARG QG . . 4.530 3.556 2.154 4.312 . 0 0 "[ . 1 . 2]" 2
1376 1 73 GLU H 1 73 GLU QG . . 4.530 3.366 2.187 4.329 . 0 0 "[ . 1 . 2]" 2
1377 1 73 GLU QB 1 74 THR HA . . 6.600 4.451 3.955 4.914 . 0 0 "[ . 1 . 2]" 2
1378 1 73 GLU QG 1 74 THR H . . 6.130 3.973 2.289 4.826 . 0 0 "[ . 1 . 2]" 2
1379 1 74 THR HA 1 75 GLN QG . . 6.130 4.122 3.472 4.704 . 0 0 "[ . 1 . 2]" 2
1380 1 75 GLN QG 1 76 VAL H . . 6.130 3.821 2.021 4.617 . 0 0 "[ . 1 . 2]" 2
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