NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
632168 |
6ba3   |
30352 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6ba3
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 12
_Distance_constraint_stats_list.Viol_count 220
_Distance_constraint_stats_list.Viol_total 1215.041
_Distance_constraint_stats_list.Viol_max 0.605
_Distance_constraint_stats_list.Viol_rms 0.1982
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2531
_Distance_constraint_stats_list.Viol_average_violations_only 0.2761
_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 23 CYS 9.797 0.431 12 0 "[ . 1 . 2]"
1 30 CYS 16.111 0.603 14 17 "[** *******-* +* ****]"
1 36 CYS 15.879 0.605 11 8 "[ . * 1+ *.-****]"
1 37 CYS 9.797 0.431 12 0 "[ . 1 . 2]"
1 49 CYS 16.111 0.603 14 17 "[** *******-* +* ****]"
1 64 CYS 15.879 0.605 11 8 "[ . * 1+ *.-****]"
1 67 CYS 18.965 0.602 1 14 "[+***. ****- *****2]"
1 74 CYS 18.965 0.602 1 14 "[+***. ****- *****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 23 CYS SG 1 37 CYS SG . . 1.980 1.981 1.978 2.011 0.031 8 0 "[ . 1 . 2]" 1
2 1 23 CYS SG 1 37 CYS CB . . 2.900 3.249 2.997 3.331 0.431 12 0 "[ . 1 . 2]" 1
3 1 23 CYS CB 1 37 CYS SG . . 2.900 3.039 2.901 3.211 0.311 20 0 "[ . 1 . 2]" 1
4 1 30 CYS SG 1 49 CYS SG . . 1.980 2.133 2.131 2.136 0.156 20 0 "[ . 1 . 2]" 1
5 1 30 CYS SG 1 49 CYS CB . . 2.900 3.435 3.368 3.503 0.603 14 17 "[** *******-* +* ****]" 1
6 1 30 CYS CB 1 49 CYS SG . . 2.900 3.017 2.996 3.028 0.128 3 0 "[ . 1 . 2]" 1
7 1 36 CYS SG 1 64 CYS SG . . 1.980 2.015 1.977 2.123 0.143 20 0 "[ . 1 . 2]" 1
8 1 36 CYS SG 1 64 CYS CB . . 2.900 3.238 3.064 3.448 0.548 19 2 "[ . 1 .- +2]" 1
9 1 36 CYS CB 1 64 CYS SG . . 2.900 3.321 3.122 3.505 0.605 11 8 "[ . * 1+ *.****-]" 1
10 1 67 CYS SG 1 74 CYS SG . . 1.980 2.064 1.984 2.121 0.141 18 0 "[ . 1 . 2]" 1
11 1 67 CYS SG 1 74 CYS CB . . 2.900 3.315 2.993 3.495 0.595 18 7 "[ *. * - ***+ 2]" 1
12 1 67 CYS CB 1 74 CYS SG . . 2.900 3.350 3.070 3.502 0.602 1 9 "[+** . ***- .* *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 1076
_Distance_constraint_stats_list.Viol_count 1162
_Distance_constraint_stats_list.Viol_total 295.464
_Distance_constraint_stats_list.Viol_max 0.133
_Distance_constraint_stats_list.Viol_rms 0.0045
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0127
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ARG 0.036 0.008 12 0 "[ . 1 . 2]"
1 4 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ASN 0.032 0.004 3 0 "[ . 1 . 2]"
1 6 LEU 0.519 0.022 19 0 "[ . 1 . 2]"
1 7 GLY 0.029 0.011 20 0 "[ . 1 . 2]"
1 8 TYR 0.321 0.031 8 0 "[ . 1 . 2]"
1 9 GLY 0.040 0.008 13 0 "[ . 1 . 2]"
1 10 ILE 0.214 0.014 1 0 "[ . 1 . 2]"
1 11 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 HIS 0.340 0.016 18 0 "[ . 1 . 2]"
1 13 LYS 0.098 0.028 14 0 "[ . 1 . 2]"
1 14 GLN 0.195 0.033 6 0 "[ . 1 . 2]"
1 15 VAL 0.215 0.022 18 0 "[ . 1 . 2]"
1 16 LYS 0.337 0.020 5 0 "[ . 1 . 2]"
1 17 LEU 2.109 0.058 4 0 "[ . 1 . 2]"
1 18 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ASN 0.601 0.048 12 0 "[ . 1 . 2]"
1 20 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLN 1.149 0.058 4 0 "[ . 1 . 2]"
1 22 LEU 0.548 0.020 5 0 "[ . 1 . 2]"
1 23 CYS 0.593 0.039 13 0 "[ . 1 . 2]"
1 24 LYS 0.861 0.052 8 0 "[ . 1 . 2]"
1 25 GLU 0.496 0.052 8 0 "[ . 1 . 2]"
1 26 PRO 0.083 0.017 12 0 "[ . 1 . 2]"
1 27 GLY 0.303 0.022 19 0 "[ . 1 . 2]"
1 28 ASP 0.080 0.014 20 0 "[ . 1 . 2]"
1 29 SER 0.627 0.044 20 0 "[ . 1 . 2]"
1 30 CYS 1.806 0.067 12 0 "[ . 1 . 2]"
1 31 SER 0.054 0.012 7 0 "[ . 1 . 2]"
1 32 LYS 0.054 0.012 7 0 "[ . 1 . 2]"
1 33 ARG 1.219 0.062 10 0 "[ . 1 . 2]"
1 34 ASP 0.037 0.008 9 0 "[ . 1 . 2]"
1 35 GLU 1.473 0.067 12 0 "[ . 1 . 2]"
1 36 CYS 0.923 0.049 19 0 "[ . 1 . 2]"
1 37 CYS 0.092 0.021 9 0 "[ . 1 . 2]"
1 38 LYS 0.179 0.039 13 0 "[ . 1 . 2]"
1 39 ALA 0.320 0.014 9 0 "[ . 1 . 2]"
1 40 ASP 0.110 0.012 20 0 "[ . 1 . 2]"
1 41 ASP 0.290 0.022 20 0 "[ . 1 . 2]"
1 42 GLN 0.180 0.019 14 0 "[ . 1 . 2]"
1 43 LYS 0.055 0.022 20 0 "[ . 1 . 2]"
1 44 THR 1.360 0.078 3 0 "[ . 1 . 2]"
1 45 TYR 1.491 0.078 3 0 "[ . 1 . 2]"
1 46 SER 0.025 0.014 8 0 "[ . 1 . 2]"
1 47 SER 0.068 0.008 16 0 "[ . 1 . 2]"
1 48 GLY 0.338 0.029 10 0 "[ . 1 . 2]"
1 49 CYS 1.336 0.062 10 0 "[ . 1 . 2]"
1 50 ALA 0.165 0.012 14 0 "[ . 1 . 2]"
1 51 GLN 0.013 0.005 1 0 "[ . 1 . 2]"
1 52 THR 0.064 0.005 20 0 "[ . 1 . 2]"
1 53 TRP 0.195 0.017 19 0 "[ . 1 . 2]"
1 54 SER 0.119 0.008 19 0 "[ . 1 . 2]"
1 55 ALA 0.009 0.003 13 0 "[ . 1 . 2]"
1 56 MET 0.006 0.003 13 0 "[ . 1 . 2]"
1 57 GLU 0.016 0.004 14 0 "[ . 1 . 2]"
1 58 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLY 0.008 0.004 14 0 "[ . 1 . 2]"
1 60 PHE 0.135 0.011 13 0 "[ . 1 . 2]"
1 61 VAL 0.496 0.026 10 0 "[ . 1 . 2]"
1 62 ARG 0.112 0.026 10 0 "[ . 1 . 2]"
1 63 GLU 1.048 0.044 20 0 "[ . 1 . 2]"
1 64 CYS 0.039 0.014 20 0 "[ . 1 . 2]"
1 65 TYR 1.761 0.071 13 0 "[ . 1 . 2]"
1 66 ILE 1.398 0.071 13 0 "[ . 1 . 2]"
1 67 CYS 0.087 0.017 7 0 "[ . 1 . 2]"
1 68 ALA 0.441 0.048 7 0 "[ . 1 . 2]"
1 69 VAL 0.516 0.028 18 0 "[ . 1 . 2]"
1 70 GLU 0.464 0.044 7 0 "[ . 1 . 2]"
1 71 SER 0.162 0.044 7 0 "[ . 1 . 2]"
1 72 SER 0.006 0.003 20 0 "[ . 1 . 2]"
1 73 MET 0.155 0.048 7 0 "[ . 1 . 2]"
1 74 CYS 0.175 0.133 15 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 44 THR HA 1 44 THR MG . . 2.800 2.175 2.083 2.309 . 0 0 "[ . 1 . 2]" 2
2 1 52 THR HB 1 53 TRP HB3 . . 4.890 4.773 4.666 4.855 . 0 0 "[ . 1 . 2]" 2
3 1 52 THR HB 1 61 VAL MG2 . . 5.190 5.143 4.742 5.194 0.004 3 0 "[ . 1 . 2]" 2
4 1 52 THR H 1 52 THR HB . . 4.000 3.920 3.898 3.937 . 0 0 "[ . 1 . 2]" 2
5 1 6 LEU HB3 1 27 GLY HA3 . . 4.570 4.584 4.568 4.592 0.022 19 0 "[ . 1 . 2]" 2
6 1 57 GLU HA 1 59 GLY H . . 4.980 4.842 4.811 4.886 . 0 0 "[ . 1 . 2]" 2
7 1 57 GLU HA 1 57 GLU HB3 . . 2.880 2.404 2.382 2.413 . 0 0 "[ . 1 . 2]" 2
8 1 57 GLU HA 1 57 GLU QG . . 3.020 2.937 2.502 3.016 . 0 0 "[ . 1 . 2]" 2
9 1 6 LEU HB3 1 65 TYR HB2 . . 4.630 4.639 4.629 4.645 0.015 9 0 "[ . 1 . 2]" 2
10 1 33 ARG QG 1 48 GLY HA2 . . 4.230 3.180 3.006 3.291 . 0 0 "[ . 1 . 2]" 2
11 1 55 ALA MB 1 58 GLY HA2 . . 4.950 4.864 4.744 4.926 . 0 0 "[ . 1 . 2]" 2
12 1 6 LEU HG 1 27 GLY HA2 . . 3.790 2.520 2.423 2.615 . 0 0 "[ . 1 . 2]" 2
13 1 6 LEU HG 1 27 GLY HA3 . . 4.000 3.224 2.970 3.458 . 0 0 "[ . 1 . 2]" 2
14 1 27 GLY HA2 1 63 GLU HB2 . . 4.710 2.497 2.197 3.240 . 0 0 "[ . 1 . 2]" 2
15 1 27 GLY HA3 1 63 GLU HB2 . . 4.930 4.046 3.707 4.754 . 0 0 "[ . 1 . 2]" 2
16 1 27 GLY HA2 1 64 CYS H . . 4.590 4.411 4.164 4.588 . 0 0 "[ . 1 . 2]" 2
17 1 27 GLY HA3 1 64 CYS H . . 5.500 5.336 5.159 5.491 . 0 0 "[ . 1 . 2]" 2
18 1 33 ARG QG 1 48 GLY HA3 . . 4.230 3.622 3.551 3.670 . 0 0 "[ . 1 . 2]" 2
19 1 68 ALA MB 1 72 SER HA . . 5.140 4.802 4.439 5.143 0.003 20 0 "[ . 1 . 2]" 2
20 1 72 SER HA 1 74 CYS H . . 4.260 3.881 3.714 4.187 . 0 0 "[ . 1 . 2]" 2
21 1 71 SER HB2 1 72 SER H . . 4.910 4.482 4.114 4.664 . 0 0 "[ . 1 . 2]" 2
22 1 71 SER HB3 1 72 SER H . . 4.910 3.974 3.241 4.531 . 0 0 "[ . 1 . 2]" 2
23 1 70 GLU QG 1 71 SER HB2 . . 5.500 3.341 2.643 5.505 0.005 11 0 "[ . 1 . 2]" 2
24 1 70 GLU QG 1 71 SER HB3 . . 5.500 4.406 3.941 5.544 0.044 7 0 "[ . 1 . 2]" 2
25 1 68 ALA MB 1 71 SER HA . . 4.350 3.899 3.718 4.052 . 0 0 "[ . 1 . 2]" 2
26 1 54 SER QB 1 57 GLU HB3 . . 4.140 3.751 3.609 3.906 . 0 0 "[ . 1 . 2]" 2
27 1 54 SER QB 1 57 GLU HB2 . . 3.740 2.151 1.994 2.312 . 0 0 "[ . 1 . 2]" 2
28 1 38 LYS HA 1 47 SER QB . . 3.770 2.326 2.150 2.572 . 0 0 "[ . 1 . 2]" 2
29 1 47 SER QB 1 66 ILE HA . . 4.250 3.991 3.822 4.146 . 0 0 "[ . 1 . 2]" 2
30 1 47 SER HA 1 66 ILE HA . . 3.430 2.901 2.770 3.045 . 0 0 "[ . 1 . 2]" 2
31 1 47 SER QB 1 66 ILE MD . . 4.570 3.442 3.313 3.605 . 0 0 "[ . 1 . 2]" 2
32 1 47 SER HA 1 66 ILE MD . . 4.620 4.421 4.276 4.610 . 0 0 "[ . 1 . 2]" 2
33 1 47 SER QB 1 66 ILE MG . . 3.890 3.552 3.370 3.733 . 0 0 "[ . 1 . 2]" 2
34 1 47 SER QB 1 66 ILE HG13 . . 4.120 3.714 3.612 3.937 . 0 0 "[ . 1 . 2]" 2
35 1 47 SER QB 1 66 ILE HG12 . . 3.910 2.645 2.483 2.815 . 0 0 "[ . 1 . 2]" 2
36 1 38 LYS HB3 1 47 SER QB . . 4.740 3.914 3.444 4.269 . 0 0 "[ . 1 . 2]" 2
37 1 47 SER HA 1 66 ILE HG13 . . 4.140 3.702 3.420 4.003 . 0 0 "[ . 1 . 2]" 2
38 1 47 SER HA 1 66 ILE HG12 . . 4.380 2.933 2.823 3.147 . 0 0 "[ . 1 . 2]" 2
39 1 47 SER HA 1 65 TYR QD . . 4.470 3.997 3.817 4.104 . 0 0 "[ . 1 . 2]" 2
40 1 47 SER HA 1 65 TYR QE . . 4.520 4.417 4.313 4.497 . 0 0 "[ . 1 . 2]" 2
41 1 47 SER HA 1 48 GLY H . . 3.220 2.243 2.204 2.334 . 0 0 "[ . 1 . 2]" 2
42 1 47 SER HA 1 66 ILE H . . 5.320 5.205 5.066 5.304 . 0 0 "[ . 1 . 2]" 2
43 1 47 SER HA 1 67 CYS H . . 4.540 4.268 4.081 4.480 . 0 0 "[ . 1 . 2]" 2
44 1 39 ALA H 1 47 SER QB . . 4.320 2.586 2.256 2.897 . 0 0 "[ . 1 . 2]" 2
45 1 47 SER H 1 47 SER QB . . 3.600 2.817 2.638 3.151 . 0 0 "[ . 1 . 2]" 2
46 1 47 SER QB 1 65 TYR QD . . 5.500 5.476 5.323 5.508 0.008 16 0 "[ . 1 . 2]" 2
47 1 44 THR HB 1 45 TYR QD . . 4.410 3.183 3.140 3.302 . 0 0 "[ . 1 . 2]" 2
48 1 44 THR HB 1 45 TYR QE . . 4.570 3.225 3.186 3.315 . 0 0 "[ . 1 . 2]" 2
49 1 44 THR HB 1 69 VAL HB . . 5.500 5.487 5.382 5.507 0.007 18 0 "[ . 1 . 2]" 2
50 1 44 THR HA 1 69 VAL MG2 . . 3.510 3.378 2.861 3.514 0.004 19 0 "[ . 1 . 2]" 2
51 1 26 PRO HA 1 28 ASP H . . 3.880 3.852 3.821 3.891 0.011 19 0 "[ . 1 . 2]" 2
52 1 26 PRO HA 1 27 GLY H . . 3.190 2.163 2.156 2.171 . 0 0 "[ . 1 . 2]" 2
53 1 44 THR HA 1 45 TYR QE . . 5.500 5.556 5.537 5.578 0.078 3 0 "[ . 1 . 2]" 2
54 1 26 PRO HA 1 65 TYR HA . . 4.150 4.051 3.866 4.153 0.003 13 0 "[ . 1 . 2]" 2
55 1 6 LEU HB3 1 26 PRO HB3 . . 4.030 2.929 2.707 3.191 . 0 0 "[ . 1 . 2]" 2
56 1 6 LEU HB3 1 26 PRO HB2 . . 4.480 2.140 1.998 2.427 . 0 0 "[ . 1 . 2]" 2
57 1 31 SER HB2 1 32 LYS QG . . 4.590 4.222 3.541 4.602 0.012 7 0 "[ . 1 . 2]" 2
58 1 15 VAL HA 1 16 LYS H . . 3.010 2.320 2.227 2.472 . 0 0 "[ . 1 . 2]" 2
59 1 31 SER HA 1 32 LYS QG . . 4.310 4.176 4.051 4.259 . 0 0 "[ . 1 . 2]" 2
60 1 15 VAL HA 1 16 LYS QB . . 4.740 4.565 4.364 4.692 . 0 0 "[ . 1 . 2]" 2
61 1 28 ASP HA 1 29 SER QB . . 4.380 4.306 4.133 4.390 0.010 10 0 "[ . 1 . 2]" 2
62 1 29 SER QB 1 61 VAL HB . . 4.520 3.011 2.753 3.597 . 0 0 "[ . 1 . 2]" 2
63 1 29 SER QB 1 62 ARG QB . . 4.800 4.464 4.365 4.809 0.009 8 0 "[ . 1 . 2]" 2
64 1 55 ALA H 1 56 MET HA . . 5.340 5.166 5.098 5.223 . 0 0 "[ . 1 . 2]" 2
65 1 55 ALA MB 1 56 MET HA . . 3.920 3.784 3.695 3.860 . 0 0 "[ . 1 . 2]" 2
66 1 56 MET HA 1 56 MET HG3 . . 3.740 3.399 2.993 3.712 . 0 0 "[ . 1 . 2]" 2
67 1 56 MET HA 1 56 MET HG2 . . 3.740 2.471 2.272 2.771 . 0 0 "[ . 1 . 2]" 2
68 1 37 CYS HB3 1 38 LYS HB2 . . 5.050 4.659 4.488 4.889 . 0 0 "[ . 1 . 2]" 2
69 1 33 ARG QG 1 50 ALA H . . 5.500 5.216 4.871 5.502 0.002 17 0 "[ . 1 . 2]" 2
70 1 33 ARG HA 1 33 ARG QG . . 3.310 2.390 2.272 2.510 . 0 0 "[ . 1 . 2]" 2
71 1 61 VAL HA 1 62 ARG QB . . 4.530 4.508 4.365 4.556 0.026 10 0 "[ . 1 . 2]" 2
72 1 45 TYR H 1 69 VAL MG2 . . 4.550 4.336 4.097 4.552 0.002 2 0 "[ . 1 . 2]" 2
73 1 18 PRO HA 1 20 GLY H . . 4.120 3.800 3.731 3.838 . 0 0 "[ . 1 . 2]" 2
74 1 17 LEU HA 1 18 PRO HG2 . . 4.980 4.555 4.541 4.567 . 0 0 "[ . 1 . 2]" 2
75 1 18 PRO HG2 1 19 ASN HA . . 5.280 4.330 4.302 4.365 . 0 0 "[ . 1 . 2]" 2
76 1 17 LEU HG 1 18 PRO HD3 . . 4.830 4.647 4.563 4.793 . 0 0 "[ . 1 . 2]" 2
77 1 17 LEU HG 1 18 PRO HD2 . . 4.150 3.995 3.914 4.126 . 0 0 "[ . 1 . 2]" 2
78 1 17 LEU H 1 18 PRO HD2 . . 4.810 4.775 4.757 4.783 . 0 0 "[ . 1 . 2]" 2
79 1 18 PRO HB2 1 19 ASN HA . . 4.800 4.235 4.221 4.255 . 0 0 "[ . 1 . 2]" 2
80 1 17 LEU MD2 1 18 PRO HB3 . . 5.500 5.446 5.369 5.491 . 0 0 "[ . 1 . 2]" 2
81 1 70 GLU H 1 70 GLU HB3 . . 3.950 2.839 2.714 3.610 . 0 0 "[ . 1 . 2]" 2
82 1 17 LEU MD2 1 18 PRO HG3 . . 4.350 4.186 4.099 4.241 . 0 0 "[ . 1 . 2]" 2
83 1 18 PRO HD2 1 19 ASN HA . . 5.500 5.369 5.356 5.382 . 0 0 "[ . 1 . 2]" 2
84 1 38 LYS HA 1 39 ALA HA . . 4.470 4.337 4.317 4.378 . 0 0 "[ . 1 . 2]" 2
85 1 17 LEU MD1 1 21 GLN HB3 . . 4.770 4.489 4.405 4.570 . 0 0 "[ . 1 . 2]" 2
86 1 17 LEU MD1 1 21 GLN HB2 . . 4.770 3.554 3.494 3.635 . 0 0 "[ . 1 . 2]" 2
87 1 17 LEU MD1 1 21 GLN HA . . 5.100 5.034 4.997 5.109 0.009 12 0 "[ . 1 . 2]" 2
88 1 21 GLN HA 1 21 GLN QG . . 3.210 2.707 2.420 3.074 . 0 0 "[ . 1 . 2]" 2
89 1 17 LEU MD1 1 23 CYS HB3 . . 3.870 3.798 3.738 3.876 0.006 12 0 "[ . 1 . 2]" 2
90 1 17 LEU MD1 1 23 CYS HA . . 3.570 2.077 1.914 2.166 . 0 0 "[ . 1 . 2]" 2
91 1 17 LEU MD1 1 23 CYS HB2 . . 4.440 4.277 4.098 4.388 . 0 0 "[ . 1 . 2]" 2
92 1 24 LYS HA 1 24 LYS QE . . 3.920 3.107 2.251 3.867 . 0 0 "[ . 1 . 2]" 2
93 1 24 LYS HB3 1 24 LYS QE . . 4.320 4.009 3.813 4.182 . 0 0 "[ . 1 . 2]" 2
94 1 24 LYS HB2 1 24 LYS QE . . 4.620 4.265 3.903 4.523 . 0 0 "[ . 1 . 2]" 2
95 1 30 CYS H 1 30 CYS HB2 . . 4.150 2.901 2.885 2.974 . 0 0 "[ . 1 . 2]" 2
96 1 30 CYS HB3 1 49 CYS HB2 . . 4.640 4.142 4.046 4.216 . 0 0 "[ . 1 . 2]" 2
97 1 30 CYS HB3 1 35 GLU HB2 . . 4.590 2.611 2.536 2.711 . 0 0 "[ . 1 . 2]" 2
98 1 24 LYS HB3 1 30 CYS HB3 . . 4.420 3.912 3.814 4.102 . 0 0 "[ . 1 . 2]" 2
99 1 24 LYS HB3 1 30 CYS HB2 . . 5.450 5.134 5.036 5.337 . 0 0 "[ . 1 . 2]" 2
100 1 30 CYS HB2 1 35 GLU HB2 . . 4.710 3.844 3.798 3.897 . 0 0 "[ . 1 . 2]" 2
101 1 30 CYS HB2 1 49 CYS HB2 . . 4.710 3.925 3.832 3.996 . 0 0 "[ . 1 . 2]" 2
102 1 33 ARG HA 1 36 CYS HB2 . . 4.950 3.512 3.330 4.362 . 0 0 "[ . 1 . 2]" 2
103 1 33 ARG HA 1 36 CYS HB3 . . 4.950 4.386 3.689 4.515 . 0 0 "[ . 1 . 2]" 2
104 1 49 CYS HA 1 50 ALA H . . 3.110 2.158 2.157 2.159 . 0 0 "[ . 1 . 2]" 2
105 1 49 CYS HA 1 65 TYR QD . . 4.570 3.469 3.374 3.550 . 0 0 "[ . 1 . 2]" 2
106 1 33 ARG HA 1 49 CYS HA . . 4.870 4.887 4.864 4.909 0.039 17 0 "[ . 1 . 2]" 2
107 1 49 CYS HA 1 50 ALA MB . . 4.110 4.072 4.039 4.091 . 0 0 "[ . 1 . 2]" 2
108 1 33 ARG HA 1 49 CYS HB3 . . 3.910 2.486 2.430 2.539 . 0 0 "[ . 1 . 2]" 2
109 1 64 CYS HA 1 65 TYR QD . . 4.280 3.749 3.611 3.946 . 0 0 "[ . 1 . 2]" 2
110 1 49 CYS HA 1 64 CYS HA . . 3.420 2.303 2.181 2.441 . 0 0 "[ . 1 . 2]" 2
111 1 26 PRO HA 1 64 CYS HA . . 4.590 4.344 4.170 4.564 . 0 0 "[ . 1 . 2]" 2
112 1 65 TYR QD 1 67 CYS QB . . 4.160 3.837 3.574 3.995 . 0 0 "[ . 1 . 2]" 2
113 1 65 TYR HB2 1 67 CYS QB . . 4.380 4.297 4.107 4.397 0.017 7 0 "[ . 1 . 2]" 2
114 1 73 MET HA 1 73 MET HG2 . . 3.890 2.915 2.281 3.785 . 0 0 "[ . 1 . 2]" 2
115 1 56 MET HA 1 56 MET HB3 . . 2.940 2.581 2.533 2.604 . 0 0 "[ . 1 . 2]" 2
116 1 4 TRP HA 1 4 TRP HE3 . . 3.850 2.194 1.998 2.328 . 0 0 "[ . 1 . 2]" 2
117 1 8 TYR HA 1 8 TYR QD . . 3.910 2.327 2.164 3.034 . 0 0 "[ . 1 . 2]" 2
118 1 10 ILE HA 1 10 ILE HG12 . . 3.860 2.552 2.522 2.640 . 0 0 "[ . 1 . 2]" 2
119 1 10 ILE HG12 1 10 ILE MG . . 3.410 2.360 2.285 2.386 . 0 0 "[ . 1 . 2]" 2
120 1 7 GLY HA3 1 10 ILE MD . . 3.690 2.575 2.153 2.855 . 0 0 "[ . 1 . 2]" 2
121 1 6 LEU H 1 6 LEU MD1 . . 4.340 3.134 3.105 3.166 . 0 0 "[ . 1 . 2]" 2
122 1 17 LEU HA 1 17 LEU HG . . 3.640 2.665 2.622 2.760 . 0 0 "[ . 1 . 2]" 2
123 1 10 ILE MG 1 11 PRO HD3 . . 4.160 3.278 3.276 3.283 . 0 0 "[ . 1 . 2]" 2
124 1 12 HIS HA 1 39 ALA HA . . 3.330 3.288 3.140 3.337 0.007 6 0 "[ . 1 . 2]" 2
125 1 61 VAL HA 1 61 VAL MG1 . . 3.240 2.210 2.118 2.338 . 0 0 "[ . 1 . 2]" 2
126 1 16 LYS HA 1 16 LYS HG3 . . 4.000 3.325 2.399 3.795 . 0 0 "[ . 1 . 2]" 2
127 1 16 LYS H 1 16 LYS QE . . 4.740 4.532 2.726 4.743 0.003 13 0 "[ . 1 . 2]" 2
128 1 15 VAL H 1 15 VAL HB . . 3.980 3.884 3.826 3.913 . 0 0 "[ . 1 . 2]" 2
129 1 15 VAL HA 1 15 VAL MG1 . . 2.990 2.231 2.138 2.322 . 0 0 "[ . 1 . 2]" 2
130 1 15 VAL HA 1 15 VAL MG2 . . 3.300 3.193 3.181 3.198 . 0 0 "[ . 1 . 2]" 2
131 1 15 VAL HB 1 16 LYS QB . . 4.590 4.494 4.207 4.606 0.016 14 0 "[ . 1 . 2]" 2
132 1 15 VAL MG2 1 23 CYS HB3 . . 4.920 4.559 4.312 4.708 . 0 0 "[ . 1 . 2]" 2
133 1 15 VAL MG2 1 16 LYS H . . 4.210 3.724 3.398 3.933 . 0 0 "[ . 1 . 2]" 2
134 1 15 VAL MG2 1 23 CYS H . . 4.690 4.387 4.171 4.543 . 0 0 "[ . 1 . 2]" 2
135 1 14 GLN HB2 1 15 VAL H . . 4.620 4.178 3.988 4.393 . 0 0 "[ . 1 . 2]" 2
136 1 13 LYS QB 1 15 VAL MG1 . . 3.600 3.319 3.010 3.601 0.001 7 0 "[ . 1 . 2]" 2
137 1 35 GLU HA 1 36 CYS HA . . 4.750 4.762 4.692 4.790 0.040 8 0 "[ . 1 . 2]" 2
138 1 17 LEU MD1 1 35 GLU HA . . 2.830 2.595 2.094 2.832 0.002 6 0 "[ . 1 . 2]" 2
139 1 3 ARG HA 1 6 LEU HG . . 4.540 4.536 4.505 4.548 0.008 12 0 "[ . 1 . 2]" 2
140 1 3 ARG HA 1 6 LEU HB2 . . 4.360 3.333 3.242 3.493 . 0 0 "[ . 1 . 2]" 2
141 1 4 TRP HA 1 8 TYR QB . . 4.100 4.003 3.882 4.099 . 0 0 "[ . 1 . 2]" 2
142 1 22 LEU HA 1 22 LEU MD1 . . 3.830 3.820 3.813 3.823 . 0 0 "[ . 1 . 2]" 2
143 1 22 LEU H 1 22 LEU MD1 . . 4.110 3.915 3.893 3.949 . 0 0 "[ . 1 . 2]" 2
144 1 14 GLN HE21 1 22 LEU MD1 . . 4.350 2.692 2.113 3.821 . 0 0 "[ . 1 . 2]" 2
145 1 22 LEU HA 1 22 LEU MD2 . . 2.960 1.961 1.948 2.059 . 0 0 "[ . 1 . 2]" 2
146 1 16 LYS QE 1 22 LEU MD2 . . 3.830 2.923 1.993 3.824 . 0 0 "[ . 1 . 2]" 2
147 1 22 LEU HB2 1 22 LEU MD2 . . 3.230 3.193 3.178 3.195 . 0 0 "[ . 1 . 2]" 2
148 1 17 LEU H 1 22 LEU MD2 . . 4.010 3.196 3.063 3.355 . 0 0 "[ . 1 . 2]" 2
149 1 22 LEU HB3 1 22 LEU MD1 . . 2.710 2.384 2.337 2.404 . 0 0 "[ . 1 . 2]" 2
150 1 22 LEU HB2 1 22 LEU MD1 . . 3.180 2.303 2.269 2.367 . 0 0 "[ . 1 . 2]" 2
151 1 8 TYR HA 1 26 PRO HB2 . . 3.740 3.487 3.314 3.640 . 0 0 "[ . 1 . 2]" 2
152 1 8 TYR HA 1 26 PRO HB3 . . 4.500 3.766 3.437 3.928 . 0 0 "[ . 1 . 2]" 2
153 1 8 TYR HA 1 12 HIS HE1 . . 4.520 2.370 2.260 2.505 . 0 0 "[ . 1 . 2]" 2
154 1 8 TYR QB 1 26 PRO HB2 . . 4.590 2.942 2.709 3.083 . 0 0 "[ . 1 . 2]" 2
155 1 8 TYR HA 1 66 ILE MD . . 4.790 3.866 3.742 3.998 . 0 0 "[ . 1 . 2]" 2
156 1 4 TRP HZ3 1 9 GLY HA3 . . 4.420 2.062 1.998 2.233 . 0 0 "[ . 1 . 2]" 2
157 1 4 TRP HZ3 1 9 GLY HA2 . . 4.420 3.253 2.699 3.560 . 0 0 "[ . 1 . 2]" 2
158 1 9 GLY H 1 10 ILE HB . . 5.110 5.097 5.038 5.118 0.008 13 0 "[ . 1 . 2]" 2
159 1 10 ILE H 1 10 ILE MD . . 3.640 3.523 3.373 3.593 . 0 0 "[ . 1 . 2]" 2
160 1 10 ILE MG 1 45 TYR QE . . 4.170 2.623 2.450 2.911 . 0 0 "[ . 1 . 2]" 2
161 1 10 ILE MG 1 45 TYR QD . . 4.260 2.666 2.511 2.868 . 0 0 "[ . 1 . 2]" 2
162 1 10 ILE MG 1 11 PRO HD2 . . 4.160 1.900 1.898 1.903 . 0 0 "[ . 1 . 2]" 2
163 1 10 ILE MG 1 12 HIS HA . . 4.380 4.194 4.142 4.230 . 0 0 "[ . 1 . 2]" 2
164 1 10 ILE HB 1 10 ILE MD . . 3.530 2.390 2.328 2.458 . 0 0 "[ . 1 . 2]" 2
165 1 10 ILE MD 1 66 ILE HB . . 3.990 3.432 3.130 3.676 . 0 0 "[ . 1 . 2]" 2
166 1 10 ILE MD 1 10 ILE MG . . 3.130 1.984 1.912 2.085 . 0 0 "[ . 1 . 2]" 2
167 1 10 ILE HA 1 10 ILE MD . . 3.920 3.836 3.819 3.875 . 0 0 "[ . 1 . 2]" 2
168 1 7 GLY HA2 1 10 ILE MD . . 3.620 2.787 2.464 3.052 . 0 0 "[ . 1 . 2]" 2
169 1 10 ILE MD 1 45 TYR QD . . 4.080 3.150 2.890 3.491 . 0 0 "[ . 1 . 2]" 2
170 1 10 ILE MD 1 45 TYR QE . . 3.760 3.365 2.960 3.754 . 0 0 "[ . 1 . 2]" 2
171 1 10 ILE MD 1 12 HIS HE1 . . 5.050 4.946 4.774 5.035 . 0 0 "[ . 1 . 2]" 2
172 1 7 GLY HA2 1 10 ILE HG12 . . 4.590 4.509 4.243 4.595 0.005 13 0 "[ . 1 . 2]" 2
173 1 10 ILE HA 1 10 ILE MG . . 3.340 2.399 2.395 2.403 . 0 0 "[ . 1 . 2]" 2
174 1 10 ILE HA 1 10 ILE HG13 . . 3.720 3.046 2.921 3.088 . 0 0 "[ . 1 . 2]" 2
175 1 10 ILE HA 1 11 PRO HG3 . . 4.530 4.335 4.333 4.337 . 0 0 "[ . 1 . 2]" 2
176 1 10 ILE HA 1 11 PRO HG2 . . 4.530 4.281 4.279 4.282 . 0 0 "[ . 1 . 2]" 2
177 1 12 HIS HB3 1 39 ALA HA . . 4.270 2.852 2.673 2.978 . 0 0 "[ . 1 . 2]" 2
178 1 12 HIS HB2 1 39 ALA HA . . 4.730 4.498 4.338 4.628 . 0 0 "[ . 1 . 2]" 2
179 1 12 HIS HB3 1 66 ILE MD . . 3.940 3.943 3.910 3.955 0.015 13 0 "[ . 1 . 2]" 2
180 1 12 HIS HB2 1 66 ILE MD . . 4.670 4.490 4.473 4.515 . 0 0 "[ . 1 . 2]" 2
181 1 13 LYS HA 1 13 LYS QB . . 2.770 2.411 2.181 2.487 . 0 0 "[ . 1 . 2]" 2
182 1 38 LYS HA 1 42 GLN HB3 . . 5.500 3.913 3.710 4.093 . 0 0 "[ . 1 . 2]" 2
183 1 42 GLN HB3 1 43 LYS H . . 4.700 4.060 3.930 4.155 . 0 0 "[ . 1 . 2]" 2
184 1 51 GLN H 1 51 GLN HG2 . . 4.770 3.056 1.952 3.397 . 0 0 "[ . 1 . 2]" 2
185 1 14 GLN HA 1 14 GLN HG3 . . 4.160 2.864 2.279 3.603 . 0 0 "[ . 1 . 2]" 2
186 1 14 GLN HA 1 14 GLN HG2 . . 4.160 3.146 2.144 3.832 . 0 0 "[ . 1 . 2]" 2
187 1 16 LYS QB 1 17 LEU HA . . 4.520 4.387 4.326 4.489 . 0 0 "[ . 1 . 2]" 2
188 1 16 LYS HA 1 22 LEU MD2 . . 3.330 2.157 1.987 2.275 . 0 0 "[ . 1 . 2]" 2
189 1 16 LYS HA 1 17 LEU MD1 . . 4.610 4.535 4.476 4.625 0.015 12 0 "[ . 1 . 2]" 2
190 1 16 LYS HA 1 16 LYS HG2 . . 4.000 2.628 2.412 3.386 . 0 0 "[ . 1 . 2]" 2
191 1 16 LYS HA 1 16 LYS QE . . 4.370 3.998 3.194 4.358 . 0 0 "[ . 1 . 2]" 2
192 1 17 LEU HB2 1 18 PRO HD3 . . 4.770 4.661 4.658 4.665 . 0 0 "[ . 1 . 2]" 2
193 1 17 LEU HB3 1 18 PRO HD3 . . 3.770 3.392 3.389 3.399 . 0 0 "[ . 1 . 2]" 2
194 1 17 LEU HB3 1 19 ASN HA . . 5.260 5.100 5.065 5.124 . 0 0 "[ . 1 . 2]" 2
195 1 17 LEU HB2 1 23 CYS HA . . 5.210 5.018 4.878 5.100 . 0 0 "[ . 1 . 2]" 2
196 1 17 LEU HB3 1 19 ASN H . . 4.570 2.376 2.336 2.415 . 0 0 "[ . 1 . 2]" 2
197 1 17 LEU HA 1 17 LEU MD1 . . 3.940 3.865 3.848 3.892 . 0 0 "[ . 1 . 2]" 2
198 1 17 LEU MD1 1 18 PRO HD2 . . 4.220 4.050 4.008 4.078 . 0 0 "[ . 1 . 2]" 2
199 1 17 LEU HB2 1 17 LEU MD1 . . 3.350 2.189 2.175 2.210 . 0 0 "[ . 1 . 2]" 2
200 1 17 LEU MD1 1 19 ASN H . . 4.280 4.270 4.201 4.290 0.010 1 0 "[ . 1 . 2]" 2
201 1 17 LEU HG 1 23 CYS H . . 4.020 3.773 3.544 3.866 . 0 0 "[ . 1 . 2]" 2
202 1 17 LEU H 1 17 LEU MD2 . . 4.200 4.126 4.045 4.171 . 0 0 "[ . 1 . 2]" 2
203 1 17 LEU MD2 1 23 CYS H . . 5.090 4.897 4.754 4.993 . 0 0 "[ . 1 . 2]" 2
204 1 17 LEU HA 1 17 LEU MD2 . . 3.000 2.464 2.387 2.624 . 0 0 "[ . 1 . 2]" 2
205 1 17 LEU MD2 1 35 GLU HA . . 4.000 3.520 3.157 3.690 . 0 0 "[ . 1 . 2]" 2
206 1 17 LEU MD2 1 18 PRO HD2 . . 3.260 2.245 2.030 2.331 . 0 0 "[ . 1 . 2]" 2
207 1 17 LEU MD2 1 23 CYS HB3 . . 4.790 4.793 4.725 4.802 0.012 16 0 "[ . 1 . 2]" 2
208 1 17 LEU HB2 1 17 LEU MD2 . . 3.660 3.121 3.102 3.133 . 0 0 "[ . 1 . 2]" 2
209 1 17 LEU HB3 1 17 LEU MD2 . . 3.600 2.147 2.004 2.215 . 0 0 "[ . 1 . 2]" 2
210 1 17 LEU HB3 1 17 LEU MD1 . . 3.510 2.627 2.561 2.646 . 0 0 "[ . 1 . 2]" 2
211 1 17 LEU MD1 1 18 PRO HD3 . . 5.310 5.177 5.137 5.197 . 0 0 "[ . 1 . 2]" 2
212 1 17 LEU MD2 1 18 PRO HD3 . . 3.360 3.046 2.937 3.202 . 0 0 "[ . 1 . 2]" 2
213 1 17 LEU HA 1 18 PRO HD3 . . 3.490 2.321 2.314 2.328 . 0 0 "[ . 1 . 2]" 2
214 1 17 LEU HA 1 18 PRO HD2 . . 3.250 2.452 2.435 2.465 . 0 0 "[ . 1 . 2]" 2
215 1 17 LEU HB3 1 18 PRO HD2 . . 3.910 1.938 1.935 1.947 . 0 0 "[ . 1 . 2]" 2
216 1 17 LEU HB2 1 18 PRO HD2 . . 3.740 3.569 3.566 3.573 . 0 0 "[ . 1 . 2]" 2
217 1 17 LEU MD1 1 21 GLN QG . . 5.020 4.879 4.774 4.967 . 0 0 "[ . 1 . 2]" 2
218 1 22 LEU HA 1 22 LEU HG . . 3.560 3.060 3.035 3.099 . 0 0 "[ . 1 . 2]" 2
219 1 22 LEU MD1 1 23 CYS H . . 4.610 4.387 4.362 4.444 . 0 0 "[ . 1 . 2]" 2
220 1 22 LEU MD2 1 23 CYS H . . 3.400 3.107 2.948 3.139 . 0 0 "[ . 1 . 2]" 2
221 1 22 LEU HB3 1 22 LEU MD2 . . 2.780 2.381 2.338 2.390 . 0 0 "[ . 1 . 2]" 2
222 1 5 ASN H 1 6 LEU MD1 . . 4.870 4.865 4.793 4.874 0.004 3 0 "[ . 1 . 2]" 2
223 1 25 GLU HA 1 25 GLU HG2 . . 4.040 2.632 2.618 2.640 . 0 0 "[ . 1 . 2]" 2
224 1 25 GLU HA 1 25 GLU HG3 . . 4.070 3.769 3.726 3.791 . 0 0 "[ . 1 . 2]" 2
225 1 24 LYS HD3 1 25 GLU HG3 . . 4.620 4.497 4.106 4.625 0.005 9 0 "[ . 1 . 2]" 2
226 1 24 LYS HD3 1 25 GLU HA . . 5.500 5.239 5.001 5.461 . 0 0 "[ . 1 . 2]" 2
227 1 24 LYS HD3 1 28 ASP HB2 . . 4.630 4.169 3.771 4.636 0.006 9 0 "[ . 1 . 2]" 2
228 1 24 LYS HD3 1 28 ASP HB3 . . 4.630 4.041 3.235 4.396 . 0 0 "[ . 1 . 2]" 2
229 1 25 GLU H 1 28 ASP HB2 . . 4.630 3.377 3.151 3.978 . 0 0 "[ . 1 . 2]" 2
230 1 25 GLU H 1 28 ASP HB3 . . 4.630 4.203 3.425 4.493 . 0 0 "[ . 1 . 2]" 2
231 1 28 ASP HB3 1 29 SER H . . 4.190 2.852 2.522 3.320 . 0 0 "[ . 1 . 2]" 2
232 1 32 LYS HB2 1 33 ARG H . . 4.420 3.982 3.900 4.025 . 0 0 "[ . 1 . 2]" 2
233 1 31 SER HB3 1 32 LYS QG . . 4.590 2.994 2.590 3.236 . 0 0 "[ . 1 . 2]" 2
234 1 33 ARG HA 1 49 CYS HB2 . . 3.690 3.576 3.469 3.687 . 0 0 "[ . 1 . 2]" 2
235 1 33 ARG HA 1 35 GLU HB2 . . 4.740 4.627 4.532 4.721 . 0 0 "[ . 1 . 2]" 2
236 1 32 LYS HA 1 33 ARG HA . . 4.540 4.300 4.297 4.303 . 0 0 "[ . 1 . 2]" 2
237 1 33 ARG HA 1 49 CYS H . . 3.820 2.926 2.893 2.967 . 0 0 "[ . 1 . 2]" 2
238 1 33 ARG HA 1 35 GLU H . . 4.190 3.865 3.812 3.918 . 0 0 "[ . 1 . 2]" 2
239 1 33 ARG QG 1 35 GLU H . . 5.180 5.064 4.913 5.172 . 0 0 "[ . 1 . 2]" 2
240 1 34 ASP HA 1 36 CYS H . . 4.050 3.951 3.927 3.972 . 0 0 "[ . 1 . 2]" 2
241 1 24 LYS HD3 1 35 GLU HB3 . . 5.500 5.162 4.684 5.503 0.003 8 0 "[ . 1 . 2]" 2
242 1 35 GLU HA 1 35 GLU HB3 . . 2.990 2.461 2.450 2.485 . 0 0 "[ . 1 . 2]" 2
243 1 35 GLU HA 1 35 GLU HG2 . . 4.220 2.965 2.370 3.332 . 0 0 "[ . 1 . 2]" 2
244 1 24 LYS QE 1 35 GLU HB2 . . 5.500 4.984 4.401 5.498 . 0 0 "[ . 1 . 2]" 2
245 1 24 LYS HD2 1 30 CYS HA . . 4.490 2.422 1.997 3.202 . 0 0 "[ . 1 . 2]" 2
246 1 42 GLN HA 1 42 GLN HG2 . . 4.000 3.789 3.579 3.967 . 0 0 "[ . 1 . 2]" 2
247 1 42 GLN HA 1 42 GLN HG3 . . 4.000 3.715 3.585 3.995 . 0 0 "[ . 1 . 2]" 2
248 1 6 LEU HA 1 6 LEU MD1 . . 4.030 2.044 2.007 2.065 . 0 0 "[ . 1 . 2]" 2
249 1 6 LEU H 1 6 LEU HG . . 4.430 4.024 4.004 4.030 . 0 0 "[ . 1 . 2]" 2
250 1 62 ARG QB 1 62 ARG HD2 . . 3.520 2.597 1.963 3.383 . 0 0 "[ . 1 . 2]" 2
251 1 62 ARG QB 1 62 ARG HD3 . . 3.520 2.477 2.116 3.291 . 0 0 "[ . 1 . 2]" 2
252 1 16 LYS QB 1 22 LEU MD2 . . 4.400 3.208 2.855 3.424 . 0 0 "[ . 1 . 2]" 2
253 1 29 SER QB 1 63 GLU HA . . 4.710 4.739 4.727 4.754 0.044 20 0 "[ . 1 . 2]" 2
254 1 29 SER HA 1 63 GLU HA . . 3.610 2.983 2.636 3.050 . 0 0 "[ . 1 . 2]" 2
255 1 63 GLU HA 1 63 GLU HG2 . . 3.800 3.733 3.663 3.801 0.001 1 0 "[ . 1 . 2]" 2
256 1 29 SER QB 1 61 VAL MG2 . . 4.330 3.756 3.479 4.330 . 0 0 "[ . 1 . 2]" 2
257 1 54 SER QB 1 61 VAL MG2 . . 3.610 2.194 2.104 2.252 . 0 0 "[ . 1 . 2]" 2
258 1 54 SER QB 1 61 VAL MG1 . . 3.640 3.624 3.442 3.647 0.007 15 0 "[ . 1 . 2]" 2
259 1 24 LYS QE 1 30 CYS HA . . 4.500 3.207 2.002 4.215 . 0 0 "[ . 1 . 2]" 2
260 1 24 LYS H 1 35 GLU HB2 . . 5.040 4.955 4.854 5.054 0.014 20 0 "[ . 1 . 2]" 2
261 1 35 GLU HA 1 35 GLU HG3 . . 4.220 3.695 3.397 3.793 . 0 0 "[ . 1 . 2]" 2
262 1 17 LEU MD1 1 35 GLU HG2 . . 5.370 4.709 3.740 5.345 . 0 0 "[ . 1 . 2]" 2
263 1 17 LEU MD1 1 35 GLU HG3 . . 5.370 5.153 4.840 5.372 0.002 17 0 "[ . 1 . 2]" 2
264 1 23 CYS HB3 1 37 CYS HA . . 4.290 4.122 3.500 4.299 0.009 20 0 "[ . 1 . 2]" 2
265 1 39 ALA HA 1 66 ILE MD . . 3.820 3.403 3.233 3.498 . 0 0 "[ . 1 . 2]" 2
266 1 39 ALA HA 1 66 ILE HG12 . . 5.130 4.984 4.728 5.125 . 0 0 "[ . 1 . 2]" 2
267 1 39 ALA MB 1 66 ILE MD . . 3.810 2.391 2.180 2.573 . 0 0 "[ . 1 . 2]" 2
268 1 10 ILE MG 1 39 ALA MB . . 3.560 2.696 2.525 2.783 . 0 0 "[ . 1 . 2]" 2
269 1 10 ILE MG 1 39 ALA HA . . 4.580 4.496 4.127 4.587 0.007 6 0 "[ . 1 . 2]" 2
270 1 39 ALA MB 1 66 ILE MG . . 3.170 2.032 1.889 2.215 . 0 0 "[ . 1 . 2]" 2
271 1 39 ALA MB 1 42 GLN HB3 . . 4.210 3.847 3.705 4.039 . 0 0 "[ . 1 . 2]" 2
272 1 39 ALA HA 1 42 GLN HB3 . . 5.330 5.023 4.921 5.172 . 0 0 "[ . 1 . 2]" 2
273 1 39 ALA MB 1 45 TYR HB3 . . 3.480 3.482 3.452 3.494 0.014 9 0 "[ . 1 . 2]" 2
274 1 39 ALA MB 1 45 TYR HB2 . . 3.380 2.456 2.421 2.549 . 0 0 "[ . 1 . 2]" 2
275 1 39 ALA HA 1 40 ASP HB2 . . 4.840 4.753 4.648 4.824 . 0 0 "[ . 1 . 2]" 2
276 1 38 LYS HA 1 39 ALA MB . . 4.090 4.006 3.926 4.051 . 0 0 "[ . 1 . 2]" 2
277 1 39 ALA HA 1 40 ASP HA . . 5.210 4.295 4.293 4.299 . 0 0 "[ . 1 . 2]" 2
278 1 12 HIS HA 1 39 ALA MB . . 4.190 3.903 3.766 4.112 . 0 0 "[ . 1 . 2]" 2
279 1 39 ALA MB 1 45 TYR HA . . 5.160 5.019 4.974 5.052 . 0 0 "[ . 1 . 2]" 2
280 1 39 ALA MB 1 45 TYR QE . . 4.620 4.084 3.931 4.304 . 0 0 "[ . 1 . 2]" 2
281 1 39 ALA MB 1 45 TYR QD . . 3.610 2.406 2.208 2.576 . 0 0 "[ . 1 . 2]" 2
282 1 39 ALA H 1 39 ALA MB . . 3.130 2.220 2.031 2.321 . 0 0 "[ . 1 . 2]" 2
283 1 40 ASP HA 1 40 ASP HB3 . . 2.850 2.600 2.581 2.607 . 0 0 "[ . 1 . 2]" 2
284 1 41 ASP HB2 1 45 TYR QD . . 4.480 3.781 3.609 3.979 . 0 0 "[ . 1 . 2]" 2
285 1 41 ASP HB3 1 45 TYR QD . . 4.480 2.905 2.743 3.063 . 0 0 "[ . 1 . 2]" 2
286 1 43 LYS HA 1 43 LYS QB . . 2.610 2.369 2.317 2.418 . 0 0 "[ . 1 . 2]" 2
287 1 43 LYS HA 1 43 LYS HG3 . . 3.960 3.051 2.552 3.807 . 0 0 "[ . 1 . 2]" 2
288 1 43 LYS HA 1 43 LYS HG2 . . 3.960 2.935 2.666 3.403 . 0 0 "[ . 1 . 2]" 2
289 1 43 LYS QE 1 43 LYS HG3 . . 3.690 2.678 2.082 3.483 . 0 0 "[ . 1 . 2]" 2
290 1 43 LYS HA 1 43 LYS HD2 . . 5.450 4.008 2.454 4.805 . 0 0 "[ . 1 . 2]" 2
291 1 43 LYS HA 1 43 LYS HD3 . . 5.450 3.884 2.345 4.579 . 0 0 "[ . 1 . 2]" 2
292 1 43 LYS QE 1 43 LYS HG2 . . 3.690 2.486 2.117 3.023 . 0 0 "[ . 1 . 2]" 2
293 1 44 THR MG 1 68 ALA MB . . 4.610 4.603 4.450 4.634 0.024 13 0 "[ . 1 . 2]" 2
294 1 43 LYS H 1 44 THR MG . . 5.010 4.894 4.695 4.973 . 0 0 "[ . 1 . 2]" 2
295 1 44 THR MG 1 45 TYR QD . . 4.760 4.582 4.562 4.616 . 0 0 "[ . 1 . 2]" 2
296 1 44 THR MG 1 45 TYR QE . . 4.450 4.262 4.238 4.308 . 0 0 "[ . 1 . 2]" 2
297 1 45 TYR HA 1 46 SER QB . . 4.270 3.993 3.972 4.014 . 0 0 "[ . 1 . 2]" 2
298 1 45 TYR HA 1 68 ALA HA . . 3.690 2.024 1.986 2.142 . 0 0 "[ . 1 . 2]" 2
299 1 45 TYR HA 1 68 ALA MB . . 3.900 3.597 3.497 3.731 . 0 0 "[ . 1 . 2]" 2
300 1 45 TYR HA 1 45 TYR QD . . 3.620 2.227 2.196 2.244 . 0 0 "[ . 1 . 2]" 2
301 1 45 TYR HA 1 45 TYR QE . . 4.590 4.553 4.529 4.565 . 0 0 "[ . 1 . 2]" 2
302 1 50 ALA MB 1 65 TYR QD . . 3.940 3.933 3.821 3.952 0.012 5 0 "[ . 1 . 2]" 2
303 1 50 ALA MB 1 65 TYR QE . . 3.360 2.053 1.977 2.163 . 0 0 "[ . 1 . 2]" 2
304 1 50 ALA MB 1 63 GLU H . . 4.870 4.764 4.489 4.882 0.012 14 0 "[ . 1 . 2]" 2
305 1 50 ALA H 1 50 ALA MB . . 3.350 2.461 2.421 2.522 . 0 0 "[ . 1 . 2]" 2
306 1 51 GLN H 1 51 GLN HG3 . . 4.770 2.204 1.947 3.710 . 0 0 "[ . 1 . 2]" 2
307 1 52 THR HA 1 52 THR MG . . 3.550 2.308 2.229 2.362 . 0 0 "[ . 1 . 2]" 2
308 1 52 THR H 1 52 THR MG . . 3.610 3.155 3.097 3.263 . 0 0 "[ . 1 . 2]" 2
309 1 52 THR MG 1 63 GLU H . . 4.230 3.294 2.930 3.502 . 0 0 "[ . 1 . 2]" 2
310 1 51 GLN H 1 52 THR MG . . 4.680 4.327 4.247 4.473 . 0 0 "[ . 1 . 2]" 2
311 1 53 TRP HA 1 61 VAL H . . 4.150 4.125 3.992 4.167 0.017 19 0 "[ . 1 . 2]" 2
312 1 53 TRP HA 1 60 PHE QD . . 4.150 2.959 2.724 3.283 . 0 0 "[ . 1 . 2]" 2
313 1 53 TRP HA 1 53 TRP HE3 . . 3.710 2.980 2.684 3.128 . 0 0 "[ . 1 . 2]" 2
314 1 53 TRP HA 1 60 PHE HA . . 3.430 2.861 2.746 2.907 . 0 0 "[ . 1 . 2]" 2
315 1 53 TRP HA 1 53 TRP HZ3 . . 5.260 5.139 4.887 5.262 0.002 19 0 "[ . 1 . 2]" 2
316 1 55 ALA HA 1 58 GLY H . . 3.910 3.525 3.448 3.598 . 0 0 "[ . 1 . 2]" 2
317 1 53 TRP HZ2 1 55 ALA HA . . 4.790 4.380 4.088 4.602 . 0 0 "[ . 1 . 2]" 2
318 1 53 TRP HD1 1 55 ALA HA . . 4.870 4.770 4.691 4.870 . 0 0 "[ . 1 . 2]" 2
319 1 53 TRP HE1 1 55 ALA HA . . 3.600 3.567 3.487 3.603 0.003 19 0 "[ . 1 . 2]" 2
320 1 55 ALA H 1 55 ALA MB . . 3.100 2.196 2.064 2.265 . 0 0 "[ . 1 . 2]" 2
321 1 55 ALA MB 1 58 GLY H . . 4.780 4.594 4.514 4.658 . 0 0 "[ . 1 . 2]" 2
322 1 54 SER HA 1 55 ALA MB . . 4.140 3.976 3.912 4.016 . 0 0 "[ . 1 . 2]" 2
323 1 57 GLU HA 1 58 GLY HA3 . . 4.720 4.575 4.564 4.583 . 0 0 "[ . 1 . 2]" 2
324 1 57 GLU HB2 1 61 VAL MG1 . . 4.300 3.366 2.946 3.631 . 0 0 "[ . 1 . 2]" 2
325 1 54 SER QB 1 57 GLU QG . . 4.230 2.765 2.522 2.913 . 0 0 "[ . 1 . 2]" 2
326 1 57 GLU QG 1 61 VAL MG2 . . 3.860 2.546 2.221 3.189 . 0 0 "[ . 1 . 2]" 2
327 1 57 GLU QG 1 59 GLY H . . 4.550 4.543 4.520 4.554 0.004 14 0 "[ . 1 . 2]" 2
328 1 61 VAL HA 1 62 ARG HA . . 4.410 4.342 4.332 4.351 . 0 0 "[ . 1 . 2]" 2
329 1 61 VAL HB 1 62 ARG H . . 3.270 2.859 2.776 3.043 . 0 0 "[ . 1 . 2]" 2
330 1 54 SER QB 1 61 VAL HB . . 4.850 4.785 4.680 4.854 0.004 5 0 "[ . 1 . 2]" 2
331 1 60 PHE HA 1 61 VAL MG1 . . 4.130 4.070 3.915 4.136 0.006 2 0 "[ . 1 . 2]" 2
332 1 61 VAL MG2 1 62 ARG HA . . 4.470 4.428 4.347 4.478 0.008 5 0 "[ . 1 . 2]" 2
333 1 61 VAL MG2 1 62 ARG H . . 4.030 3.908 3.831 3.975 . 0 0 "[ . 1 . 2]" 2
334 1 61 VAL HA 1 61 VAL MG2 . . 3.310 3.187 3.179 3.197 . 0 0 "[ . 1 . 2]" 2
335 1 6 LEU HG 1 63 GLU HB2 . . 4.820 4.192 3.822 4.553 . 0 0 "[ . 1 . 2]" 2
336 1 52 THR MG 1 63 GLU HB2 . . 5.350 5.180 4.559 5.355 0.005 20 0 "[ . 1 . 2]" 2
337 1 63 GLU HA 1 63 GLU HG3 . . 3.800 3.754 3.671 3.803 0.003 20 0 "[ . 1 . 2]" 2
338 1 6 LEU H 1 65 TYR HA . . 5.500 5.006 4.930 5.139 . 0 0 "[ . 1 . 2]" 2
339 1 48 GLY H 1 65 TYR HA . . 5.500 5.221 5.160 5.298 . 0 0 "[ . 1 . 2]" 2
340 1 65 TYR HA 1 65 TYR QD . . 3.890 3.735 3.731 3.740 . 0 0 "[ . 1 . 2]" 2
341 1 65 TYR HA 1 66 ILE H . . 3.240 2.253 2.239 2.272 . 0 0 "[ . 1 . 2]" 2
342 1 27 GLY H 1 65 TYR HA . . 4.610 4.556 4.454 4.618 0.008 12 0 "[ . 1 . 2]" 2
343 1 6 LEU HB2 1 65 TYR HA . . 4.290 4.131 4.074 4.185 . 0 0 "[ . 1 . 2]" 2
344 1 6 LEU HB3 1 65 TYR HA . . 3.670 2.584 2.514 2.664 . 0 0 "[ . 1 . 2]" 2
345 1 65 TYR HA 1 66 ILE HG13 . . 3.840 3.598 3.540 3.652 . 0 0 "[ . 1 . 2]" 2
346 1 6 LEU MD1 1 65 TYR HB3 . . 4.080 1.985 1.937 2.050 . 0 0 "[ . 1 . 2]" 2
347 1 7 GLY HA3 1 66 ILE HB . . 4.200 2.003 1.993 2.023 . 0 0 "[ . 1 . 2]" 2
348 1 66 ILE HB 1 66 ILE MD . . 3.640 2.313 2.209 2.397 . 0 0 "[ . 1 . 2]" 2
349 1 65 TYR HB2 1 66 ILE HB . . 5.500 5.538 5.499 5.571 0.071 13 0 "[ . 1 . 2]" 2
350 1 7 GLY HA3 1 66 ILE MD . . 4.240 3.604 3.480 3.693 . 0 0 "[ . 1 . 2]" 2
351 1 66 ILE HA 1 66 ILE MD . . 3.910 3.861 3.846 3.871 . 0 0 "[ . 1 . 2]" 2
352 1 7 GLY H 1 66 ILE MD . . 5.500 5.412 5.273 5.511 0.011 20 0 "[ . 1 . 2]" 2
353 1 10 ILE H 1 66 ILE MD . . 5.500 5.241 5.091 5.357 . 0 0 "[ . 1 . 2]" 2
354 1 39 ALA H 1 66 ILE MD . . 4.460 3.931 3.478 4.343 . 0 0 "[ . 1 . 2]" 2
355 1 66 ILE MD 1 66 ILE MG . . 3.210 2.044 1.931 2.212 . 0 0 "[ . 1 . 2]" 2
356 1 10 ILE HB 1 66 ILE MD . . 4.000 3.766 3.747 3.784 . 0 0 "[ . 1 . 2]" 2
357 1 39 ALA H 1 66 ILE MG . . 4.230 3.879 3.420 4.200 . 0 0 "[ . 1 . 2]" 2
358 1 10 ILE H 1 66 ILE MG . . 5.350 5.054 5.002 5.108 . 0 0 "[ . 1 . 2]" 2
359 1 10 ILE MG 1 66 ILE MG . . 3.390 3.124 2.977 3.240 . 0 0 "[ . 1 . 2]" 2
360 1 10 ILE HB 1 66 ILE MG . . 4.050 3.299 3.235 3.369 . 0 0 "[ . 1 . 2]" 2
361 1 45 TYR HB2 1 66 ILE MG . . 3.690 2.978 2.847 3.210 . 0 0 "[ . 1 . 2]" 2
362 1 45 TYR HB3 1 66 ILE MG . . 4.070 2.389 2.224 2.655 . 0 0 "[ . 1 . 2]" 2
363 1 7 GLY HA3 1 66 ILE MG . . 4.230 2.719 2.567 2.795 . 0 0 "[ . 1 . 2]" 2
364 1 66 ILE HA 1 66 ILE MG . . 3.410 2.365 2.317 2.400 . 0 0 "[ . 1 . 2]" 2
365 1 47 SER HA 1 66 ILE MG . . 4.060 3.842 3.717 3.996 . 0 0 "[ . 1 . 2]" 2
366 1 45 TYR QD 1 66 ILE MG . . 3.780 3.413 3.245 3.657 . 0 0 "[ . 1 . 2]" 2
367 1 7 GLY H 1 66 ILE MG . . 5.500 4.933 4.829 5.002 . 0 0 "[ . 1 . 2]" 2
368 1 45 TYR H 1 66 ILE MG . . 5.500 5.165 5.049 5.397 . 0 0 "[ . 1 . 2]" 2
369 1 39 ALA H 1 66 ILE HG12 . . 5.060 4.107 3.547 4.559 . 0 0 "[ . 1 . 2]" 2
370 1 7 GLY HA2 1 10 ILE HG13 . . 4.510 2.881 2.627 3.012 . 0 0 "[ . 1 . 2]" 2
371 1 67 CYS QB 1 68 ALA MB . . 4.380 4.203 3.995 4.382 0.002 4 0 "[ . 1 . 2]" 2
372 1 67 CYS HA 1 68 ALA MB . . 4.060 4.015 3.962 4.043 . 0 0 "[ . 1 . 2]" 2
373 1 68 ALA MB 1 71 SER HB2 . . 4.070 2.243 1.910 3.238 . 0 0 "[ . 1 . 2]" 2
374 1 68 ALA MB 1 71 SER HB3 . . 4.070 2.471 1.874 3.256 . 0 0 "[ . 1 . 2]" 2
375 1 44 THR HA 1 68 ALA MB . . 5.280 5.042 4.834 5.142 . 0 0 "[ . 1 . 2]" 2
376 1 45 TYR QE 1 68 ALA MB . . 3.440 2.637 2.335 2.917 . 0 0 "[ . 1 . 2]" 2
377 1 45 TYR QD 1 68 ALA MB . . 3.850 2.318 2.008 2.557 . 0 0 "[ . 1 . 2]" 2
378 1 68 ALA MB 1 69 VAL MG2 . . 4.340 4.214 4.051 4.332 . 0 0 "[ . 1 . 2]" 2
379 1 69 VAL HA 1 69 VAL MG2 . . 2.620 2.413 2.393 2.430 . 0 0 "[ . 1 . 2]" 2
380 1 55 ALA MB 1 56 MET HB2 . . 4.520 4.467 4.384 4.523 0.003 13 0 "[ . 1 . 2]" 2
381 1 68 ALA MB 1 69 VAL HA . . 4.370 4.333 4.261 4.384 0.014 15 0 "[ . 1 . 2]" 2
382 1 46 SER QB 1 69 VAL MG2 . . 2.920 2.325 1.969 2.787 . 0 0 "[ . 1 . 2]" 2
383 1 45 TYR HA 1 69 VAL MG2 . . 3.720 3.232 3.011 3.489 . 0 0 "[ . 1 . 2]" 2
384 1 68 ALA HA 1 69 VAL MG2 . . 4.010 3.509 3.451 3.555 . 0 0 "[ . 1 . 2]" 2
385 1 45 TYR QD 1 69 VAL MG2 . . 4.780 4.501 4.429 4.616 . 0 0 "[ . 1 . 2]" 2
386 1 69 VAL MG2 1 70 GLU H . . 3.620 3.639 3.625 3.648 0.028 18 0 "[ . 1 . 2]" 2
387 1 70 GLU HA 1 70 GLU QG . . 3.410 3.296 2.627 3.390 . 0 0 "[ . 1 . 2]" 2
388 1 69 VAL MG2 1 70 GLU QG . . 4.600 4.532 4.047 4.620 0.020 15 0 "[ . 1 . 2]" 2
389 1 68 ALA MB 1 70 GLU QG . . 4.300 3.078 2.770 4.048 . 0 0 "[ . 1 . 2]" 2
390 1 73 MET HA 1 73 MET HG3 . . 3.890 3.241 2.238 3.842 . 0 0 "[ . 1 . 2]" 2
391 1 10 ILE MG 1 40 ASP HB3 . . 5.430 5.065 4.934 5.262 . 0 0 "[ . 1 . 2]" 2
392 1 10 ILE HG13 1 10 ILE MG . . 3.510 3.202 3.192 3.204 . 0 0 "[ . 1 . 2]" 2
393 1 7 GLY HA3 1 10 ILE HB . . 4.700 3.711 3.564 3.835 . 0 0 "[ . 1 . 2]" 2
394 1 7 GLY HA2 1 10 ILE HB . . 4.780 4.080 3.912 4.160 . 0 0 "[ . 1 . 2]" 2
395 1 43 LYS QB 1 44 THR HA . . 4.280 4.099 4.074 4.123 . 0 0 "[ . 1 . 2]" 2
396 1 6 LEU HG 1 26 PRO HB3 . . 5.500 4.850 4.585 5.127 . 0 0 "[ . 1 . 2]" 2
397 1 17 LEU MD1 1 35 GLU HB2 . . 5.500 4.862 4.430 5.067 . 0 0 "[ . 1 . 2]" 2
398 1 8 TYR QB 1 26 PRO HA . . 5.500 5.425 5.189 5.517 0.017 12 0 "[ . 1 . 2]" 2
399 1 6 LEU HB3 1 6 LEU MD1 . . 3.580 2.480 2.463 2.504 . 0 0 "[ . 1 . 2]" 2
400 1 6 LEU MD1 1 65 TYR HB2 . . 3.980 2.723 2.650 2.832 . 0 0 "[ . 1 . 2]" 2
401 1 5 ASN HA 1 6 LEU MD1 . . 4.820 4.541 4.522 4.567 . 0 0 "[ . 1 . 2]" 2
402 1 16 LYS HA 1 17 LEU HB2 . . 4.480 4.450 4.415 4.495 0.015 12 0 "[ . 1 . 2]" 2
403 1 64 CYS HB3 1 65 TYR H . . 4.460 3.367 2.791 4.046 . 0 0 "[ . 1 . 2]" 2
404 1 31 SER H 1 31 SER HB2 . . 3.710 2.386 2.314 2.607 . 0 0 "[ . 1 . 2]" 2
405 1 37 CYS H 1 37 CYS HB3 . . 3.630 3.368 3.167 3.485 . 0 0 "[ . 1 . 2]" 2
406 1 53 TRP H 1 53 TRP HB3 . . 3.620 2.482 2.469 2.519 . 0 0 "[ . 1 . 2]" 2
407 1 49 CYS H 1 49 CYS HB3 . . 3.500 2.850 2.833 2.870 . 0 0 "[ . 1 . 2]" 2
408 1 57 GLU H 1 57 GLU HB3 . . 3.610 3.602 3.598 3.610 0.000 6 0 "[ . 1 . 2]" 2
409 1 53 TRP H 1 53 TRP HB2 . . 3.430 2.584 2.545 2.597 . 0 0 "[ . 1 . 2]" 2
410 1 29 SER H 1 29 SER QB . . 2.650 2.364 2.068 2.468 . 0 0 "[ . 1 . 2]" 2
411 1 37 CYS H 1 37 CYS HB2 . . 3.700 2.140 2.105 2.183 . 0 0 "[ . 1 . 2]" 2
412 1 36 CYS H 1 36 CYS HB2 . . 3.540 2.250 2.175 2.770 . 0 0 "[ . 1 . 2]" 2
413 1 42 GLN H 1 42 GLN HB2 . . 3.700 3.585 3.567 3.592 . 0 0 "[ . 1 . 2]" 2
414 1 44 THR H 1 44 THR HB . . 3.670 3.645 3.621 3.686 0.016 5 0 "[ . 1 . 2]" 2
415 1 56 MET H 1 56 MET HG2 . . 3.800 3.070 2.509 3.701 . 0 0 "[ . 1 . 2]" 2
416 1 32 LYS H 1 32 LYS HB2 . . 3.770 2.862 2.849 2.882 . 0 0 "[ . 1 . 2]" 2
417 1 41 ASP H 1 41 ASP HB2 . . 3.210 2.601 2.457 2.705 . 0 0 "[ . 1 . 2]" 2
418 1 28 ASP H 1 28 ASP HB3 . . 3.550 3.468 2.981 3.551 0.001 14 0 "[ . 1 . 2]" 2
419 1 72 SER H 1 72 SER HB3 . . 3.510 2.921 2.272 3.505 . 0 0 "[ . 1 . 2]" 2
420 1 35 GLU H 1 35 GLU HB3 . . 3.770 3.593 3.588 3.594 . 0 0 "[ . 1 . 2]" 2
421 1 62 ARG H 1 62 ARG QB . . 3.420 2.480 2.315 2.550 . 0 0 "[ . 1 . 2]" 2
422 1 69 VAL H 1 69 VAL HB . . 3.420 2.641 2.626 2.672 . 0 0 "[ . 1 . 2]" 2
423 1 43 LYS H 1 43 LYS QB . . 2.690 2.488 2.374 2.603 . 0 0 "[ . 1 . 2]" 2
424 1 63 GLU H 1 63 GLU HB2 . . 4.010 3.758 3.690 3.779 . 0 0 "[ . 1 . 2]" 2
425 1 66 ILE H 1 66 ILE HB . . 3.740 2.772 2.764 2.781 . 0 0 "[ . 1 . 2]" 2
426 1 17 LEU HB2 1 21 GLN H . . 3.500 3.547 3.534 3.558 0.058 4 0 "[ . 1 . 2]" 2
427 1 61 VAL H 1 61 VAL HB . . 4.090 3.822 3.798 3.857 . 0 0 "[ . 1 . 2]" 2
428 1 45 TYR H 1 45 TYR HB3 . . 3.830 3.687 3.678 3.695 . 0 0 "[ . 1 . 2]" 2
429 1 23 CYS H 1 23 CYS HB3 . . 3.590 3.587 3.584 3.592 0.002 18 0 "[ . 1 . 2]" 2
430 1 46 SER H 1 46 SER QB . . 3.150 2.326 2.234 2.412 . 0 0 "[ . 1 . 2]" 2
431 1 71 SER H 1 71 SER HB2 . . 3.590 2.458 2.233 2.998 . 0 0 "[ . 1 . 2]" 2
432 1 71 SER H 1 71 SER HB3 . . 3.590 3.145 2.413 3.560 . 0 0 "[ . 1 . 2]" 2
433 1 69 VAL HB 1 70 GLU H . . 3.100 2.465 2.456 2.536 . 0 0 "[ . 1 . 2]" 2
434 1 19 ASN H 1 19 ASN HB3 . . 3.770 3.524 2.379 3.617 . 0 0 "[ . 1 . 2]" 2
435 1 45 TYR H 1 45 TYR HB2 . . 3.880 2.697 2.681 2.706 . 0 0 "[ . 1 . 2]" 2
436 1 24 LYS H 1 24 LYS HB2 . . 3.160 2.263 2.173 2.362 . 0 0 "[ . 1 . 2]" 2
437 1 35 GLU H 1 35 GLU HB2 . . 3.900 2.522 2.474 2.545 . 0 0 "[ . 1 . 2]" 2
438 1 36 CYS H 1 36 CYS HB3 . . 3.540 2.889 2.394 2.980 . 0 0 "[ . 1 . 2]" 2
439 1 57 GLU H 1 57 GLU HB2 . . 3.040 2.618 2.596 2.662 . 0 0 "[ . 1 . 2]" 2
440 1 64 CYS H 1 64 CYS HB2 . . 3.740 2.249 2.127 2.521 . 0 0 "[ . 1 . 2]" 2
441 1 22 LEU H 1 22 LEU HB2 . . 3.460 2.341 2.313 2.363 . 0 0 "[ . 1 . 2]" 2
442 1 68 ALA H 1 68 ALA MB . . 3.000 2.114 2.029 2.272 . 0 0 "[ . 1 . 2]" 2
443 1 22 LEU H 1 22 LEU HG . . 2.870 2.855 2.801 2.876 0.006 13 0 "[ . 1 . 2]" 2
444 1 54 SER QB 1 59 GLY H . . 3.390 2.869 2.757 3.116 . 0 0 "[ . 1 . 2]" 2
445 1 52 THR H 1 62 ARG HA . . 4.390 3.440 3.300 3.668 . 0 0 "[ . 1 . 2]" 2
446 1 70 GLU H 1 70 GLU HB2 . . 3.950 3.518 2.700 3.644 . 0 0 "[ . 1 . 2]" 2
447 1 38 LYS H 1 38 LYS HB2 . . 3.360 2.698 2.560 2.800 . 0 0 "[ . 1 . 2]" 2
448 1 42 GLN H 1 42 GLN HB3 . . 3.100 2.523 2.352 2.656 . 0 0 "[ . 1 . 2]" 2
449 1 28 ASP H 1 28 ASP HB2 . . 3.550 2.237 2.153 2.276 . 0 0 "[ . 1 . 2]" 2
450 1 56 MET H 1 56 MET HB2 . . 2.760 2.312 2.270 2.406 . 0 0 "[ . 1 . 2]" 2
451 1 54 SER H 1 54 SER QB . . 3.030 2.403 2.348 2.527 . 0 0 "[ . 1 . 2]" 2
452 1 73 MET H 1 73 MET HB2 . . 3.630 2.609 2.272 3.591 . 0 0 "[ . 1 . 2]" 2
453 1 19 ASN H 1 19 ASN HB2 . . 3.770 2.506 2.210 3.590 . 0 0 "[ . 1 . 2]" 2
454 1 31 SER H 1 31 SER HB3 . . 3.710 3.385 2.845 3.670 . 0 0 "[ . 1 . 2]" 2
455 1 23 CYS H 1 23 CYS HB2 . . 3.810 2.616 2.430 2.654 . 0 0 "[ . 1 . 2]" 2
456 1 52 THR HB 1 53 TRP H . . 3.830 3.241 3.124 3.318 . 0 0 "[ . 1 . 2]" 2
457 1 67 CYS H 1 67 CYS QB . . 3.650 2.657 2.573 2.794 . 0 0 "[ . 1 . 2]" 2
458 1 40 ASP H 1 40 ASP HB2 . . 3.020 2.337 2.317 2.373 . 0 0 "[ . 1 . 2]" 2
459 1 60 PHE H 1 60 PHE HB3 . . 3.620 3.556 3.551 3.565 . 0 0 "[ . 1 . 2]" 2
460 1 73 MET H 1 73 MET HB3 . . 3.630 3.365 2.398 3.627 . 0 0 "[ . 1 . 2]" 2
461 1 3 ARG H 1 3 ARG HB3 . . 3.730 3.173 2.508 3.593 . 0 0 "[ . 1 . 2]" 2
462 1 19 ASN H 1 20 GLY H . . 3.190 2.413 2.366 2.451 . 0 0 "[ . 1 . 2]" 2
463 1 17 LEU H 1 19 ASN H . . 4.690 4.716 4.706 4.731 0.041 10 0 "[ . 1 . 2]" 2
464 1 17 LEU H 1 21 GLN H . . 4.700 4.707 4.674 4.722 0.022 19 0 "[ . 1 . 2]" 2
465 1 20 GLY H 1 21 GLN H . . 3.070 2.557 2.539 2.570 . 0 0 "[ . 1 . 2]" 2
466 1 18 PRO HA 1 19 ASN H . . 3.570 3.415 3.398 3.426 . 0 0 "[ . 1 . 2]" 2
467 1 18 PRO HD2 1 19 ASN H . . 3.600 2.787 2.767 2.816 . 0 0 "[ . 1 . 2]" 2
468 1 17 LEU MD2 1 19 ASN H . . 4.060 3.974 3.884 4.027 . 0 0 "[ . 1 . 2]" 2
469 1 18 PRO HB3 1 19 ASN H . . 4.630 4.371 4.355 4.394 . 0 0 "[ . 1 . 2]" 2
470 1 17 LEU HB2 1 19 ASN H . . 3.390 3.171 3.122 3.209 . 0 0 "[ . 1 . 2]" 2
471 1 17 LEU MD1 1 20 GLY H . . 5.060 4.891 4.854 4.938 . 0 0 "[ . 1 . 2]" 2
472 1 17 LEU HB2 1 20 GLY H . . 3.800 3.472 3.433 3.523 . 0 0 "[ . 1 . 2]" 2
473 1 20 GLY H 1 21 GLN QG . . 4.750 4.578 4.426 4.705 . 0 0 "[ . 1 . 2]" 2
474 1 19 ASN HB3 1 20 GLY H . . 4.350 4.012 3.775 4.252 . 0 0 "[ . 1 . 2]" 2
475 1 19 ASN HB2 1 20 GLY H . . 4.350 3.213 3.115 4.275 . 0 0 "[ . 1 . 2]" 2
476 1 17 LEU MD1 1 21 GLN H . . 4.410 4.237 4.213 4.273 . 0 0 "[ . 1 . 2]" 2
477 1 18 PRO HD2 1 20 GLY H . . 5.080 4.805 4.789 4.848 . 0 0 "[ . 1 . 2]" 2
478 1 19 ASN HB3 1 21 GLN H . . 4.870 3.615 3.182 4.267 . 0 0 "[ . 1 . 2]" 2
479 1 19 ASN HB2 1 21 GLN H . . 4.870 2.901 2.587 4.062 . 0 0 "[ . 1 . 2]" 2
480 1 21 GLN H 1 21 GLN QG . . 2.890 2.397 2.252 2.559 . 0 0 "[ . 1 . 2]" 2
481 1 19 ASN H 1 21 GLN H . . 3.990 3.955 3.904 3.981 . 0 0 "[ . 1 . 2]" 2
482 1 21 GLN H 1 22 LEU H . . 4.760 4.548 4.542 4.551 . 0 0 "[ . 1 . 2]" 2
483 1 17 LEU H 1 23 CYS H . . 4.370 4.306 4.142 4.373 0.003 20 0 "[ . 1 . 2]" 2
484 1 19 ASN HA 1 21 GLN H . . 4.750 4.547 4.541 4.558 . 0 0 "[ . 1 . 2]" 2
485 1 21 GLN HA 1 22 LEU H . . 2.780 2.446 2.443 2.447 . 0 0 "[ . 1 . 2]" 2
486 1 21 GLN HB3 1 22 LEU H . . 3.510 2.383 2.356 2.417 . 0 0 "[ . 1 . 2]" 2
487 1 21 GLN HB2 1 22 LEU H . . 3.510 3.403 3.329 3.470 . 0 0 "[ . 1 . 2]" 2
488 1 21 GLN QG 1 22 LEU H . . 4.320 4.175 4.017 4.320 . 0 0 "[ . 1 . 2]" 2
489 1 22 LEU H 1 22 LEU MD2 . . 3.660 3.669 3.658 3.676 0.016 13 0 "[ . 1 . 2]" 2
490 1 17 LEU MD1 1 23 CYS H . . 3.570 2.992 2.894 3.141 . 0 0 "[ . 1 . 2]" 2
491 1 17 LEU MD1 1 24 LYS H . . 4.080 3.830 3.665 4.006 . 0 0 "[ . 1 . 2]" 2
492 1 22 LEU HB2 1 23 CYS H . . 3.920 3.834 3.811 3.871 . 0 0 "[ . 1 . 2]" 2
493 1 22 LEU HB3 1 23 CYS H . . 3.330 2.563 2.549 2.615 . 0 0 "[ . 1 . 2]" 2
494 1 24 LYS HD3 1 25 GLU H . . 3.890 2.424 2.152 2.690 . 0 0 "[ . 1 . 2]" 2
495 1 23 CYS H 1 37 CYS HB2 . . 5.330 5.309 5.069 5.351 0.021 9 0 "[ . 1 . 2]" 2
496 1 24 LYS H 1 37 CYS HB2 . . 4.630 3.746 3.480 3.966 . 0 0 "[ . 1 . 2]" 2
497 1 23 CYS HB3 1 24 LYS H . . 3.350 2.434 2.237 2.530 . 0 0 "[ . 1 . 2]" 2
498 1 23 CYS HB2 1 24 LYS H . . 3.600 3.550 3.408 3.607 0.007 19 0 "[ . 1 . 2]" 2
499 1 24 LYS H 1 25 GLU HG2 . . 5.500 5.522 5.498 5.552 0.052 8 0 "[ . 1 . 2]" 2
500 1 22 LEU HA 1 23 CYS H . . 2.890 2.343 2.322 2.348 . 0 0 "[ . 1 . 2]" 2
501 1 16 LYS HA 1 23 CYS H . . 4.230 4.079 3.825 4.239 0.009 17 0 "[ . 1 . 2]" 2
502 1 23 CYS HA 1 24 LYS H . . 3.180 2.409 2.367 2.488 . 0 0 "[ . 1 . 2]" 2
503 1 24 LYS HA 1 25 GLU H . . 3.060 2.296 2.262 2.369 . 0 0 "[ . 1 . 2]" 2
504 1 24 LYS H 1 37 CYS H . . 3.760 3.050 2.742 3.203 . 0 0 "[ . 1 . 2]" 2
505 1 24 LYS H 1 25 GLU H . . 4.790 4.561 4.521 4.588 . 0 0 "[ . 1 . 2]" 2
506 1 23 CYS H 1 24 LYS H . . 4.820 4.639 4.623 4.646 . 0 0 "[ . 1 . 2]" 2
507 1 25 GLU H 1 28 ASP H . . 4.720 4.679 4.611 4.722 0.002 9 0 "[ . 1 . 2]" 2
508 1 24 LYS H 1 36 CYS H . . 4.940 4.945 4.722 4.989 0.049 19 0 "[ . 1 . 2]" 2
509 1 24 LYS H 1 36 CYS HA . . 3.900 2.999 2.448 3.098 . 0 0 "[ . 1 . 2]" 2
510 1 24 LYS QE 1 25 GLU H . . 4.230 4.143 3.636 4.238 0.008 17 0 "[ . 1 . 2]" 2
511 1 25 GLU H 1 25 GLU HG2 . . 3.390 2.535 2.520 2.591 . 0 0 "[ . 1 . 2]" 2
512 1 25 GLU H 1 25 GLU HG3 . . 3.580 2.852 2.624 3.135 . 0 0 "[ . 1 . 2]" 2
513 1 24 LYS HB2 1 25 GLU H . . 4.390 4.086 3.964 4.169 . 0 0 "[ . 1 . 2]" 2
514 1 24 LYS HD2 1 25 GLU H . . 4.690 3.838 3.191 4.289 . 0 0 "[ . 1 . 2]" 2
515 1 27 GLY H 1 28 ASP H . . 3.340 2.768 2.710 2.830 . 0 0 "[ . 1 . 2]" 2
516 1 27 GLY H 1 64 CYS HA . . 4.570 4.441 4.335 4.579 0.009 8 0 "[ . 1 . 2]" 2
517 1 28 ASP HB2 1 29 SER H . . 4.190 4.065 3.890 4.194 0.004 8 0 "[ . 1 . 2]" 2
518 1 26 PRO HB3 1 27 GLY H . . 4.320 4.168 4.134 4.216 . 0 0 "[ . 1 . 2]" 2
519 1 27 GLY H 1 63 GLU HB2 . . 4.590 3.045 2.598 3.679 . 0 0 "[ . 1 . 2]" 2
520 1 6 LEU HB3 1 27 GLY H . . 3.880 3.695 3.575 3.810 . 0 0 "[ . 1 . 2]" 2
521 1 26 PRO HB2 1 27 GLY H . . 4.100 3.770 3.722 3.836 . 0 0 "[ . 1 . 2]" 2
522 1 6 LEU HG 1 27 GLY H . . 3.680 3.284 3.027 3.470 . 0 0 "[ . 1 . 2]" 2
523 1 29 SER H 1 30 CYS H . . 5.110 4.635 4.621 4.647 . 0 0 "[ . 1 . 2]" 2
524 1 30 CYS H 1 62 ARG H . . 4.100 3.866 3.720 4.075 . 0 0 "[ . 1 . 2]" 2
525 1 30 CYS H 1 31 SER H . . 4.770 4.437 4.417 4.442 . 0 0 "[ . 1 . 2]" 2
526 1 30 CYS H 1 63 GLU HA . . 3.970 3.990 3.976 4.007 0.037 19 0 "[ . 1 . 2]" 2
527 1 29 SER HA 1 30 CYS H . . 3.110 2.292 2.260 2.413 . 0 0 "[ . 1 . 2]" 2
528 1 28 ASP HA 1 29 SER H . . 2.880 2.288 2.218 2.389 . 0 0 "[ . 1 . 2]" 2
529 1 29 SER QB 1 30 CYS H . . 3.200 2.745 2.399 3.203 0.003 8 0 "[ . 1 . 2]" 2
530 1 34 ASP H 1 34 ASP HB3 . . 3.720 3.135 2.453 3.592 . 0 0 "[ . 1 . 2]" 2
531 1 30 CYS H 1 61 VAL HB . . 4.830 4.698 4.570 4.820 . 0 0 "[ . 1 . 2]" 2
532 1 30 CYS H 1 62 ARG QB . . 3.800 2.841 2.655 2.963 . 0 0 "[ . 1 . 2]" 2
533 1 30 CYS H 1 61 VAL MG1 . . 5.500 5.506 5.479 5.512 0.012 8 0 "[ . 1 . 2]" 2
534 1 29 SER H 1 61 VAL HB . . 5.460 5.311 4.952 5.467 0.007 10 0 "[ . 1 . 2]" 2
535 1 32 LYS H 1 33 ARG H . . 4.500 4.336 4.325 4.347 . 0 0 "[ . 1 . 2]" 2
536 1 31 SER H 1 32 LYS H . . 2.900 2.049 1.998 2.078 . 0 0 "[ . 1 . 2]" 2
537 1 32 LYS H 1 34 ASP H . . 5.010 4.866 4.806 4.896 . 0 0 "[ . 1 . 2]" 2
538 1 30 CYS HA 1 32 LYS H . . 4.450 4.380 4.354 4.420 . 0 0 "[ . 1 . 2]" 2
539 1 30 CYS HA 1 31 SER H . . 3.310 2.543 2.540 2.546 . 0 0 "[ . 1 . 2]" 2
540 1 31 SER HB2 1 32 LYS H . . 3.810 3.167 2.853 3.710 . 0 0 "[ . 1 . 2]" 2
541 1 31 SER HB3 1 32 LYS H . . 3.810 3.341 2.814 3.768 . 0 0 "[ . 1 . 2]" 2
542 1 30 CYS HB3 1 32 LYS H . . 4.030 3.118 3.092 3.165 . 0 0 "[ . 1 . 2]" 2
543 1 30 CYS HB2 1 32 LYS H . . 3.570 3.378 3.319 3.464 . 0 0 "[ . 1 . 2]" 2
544 1 30 CYS HB3 1 31 SER H . . 3.940 2.338 2.333 2.345 . 0 0 "[ . 1 . 2]" 2
545 1 30 CYS HB2 1 31 SER H . . 3.620 3.015 2.999 3.023 . 0 0 "[ . 1 . 2]" 2
546 1 33 ARG H 1 33 ARG QD . . 5.090 4.485 4.254 4.838 . 0 0 "[ . 1 . 2]" 2
547 1 33 ARG H 1 49 CYS HB3 . . 4.690 4.594 4.529 4.659 . 0 0 "[ . 1 . 2]" 2
548 1 31 SER H 1 35 GLU HB2 . . 4.510 3.233 3.090 3.343 . 0 0 "[ . 1 . 2]" 2
549 1 31 SER H 1 35 GLU HB3 . . 4.490 3.711 3.545 3.858 . 0 0 "[ . 1 . 2]" 2
550 1 32 LYS H 1 35 GLU HB3 . . 4.040 3.867 3.729 4.011 . 0 0 "[ . 1 . 2]" 2
551 1 31 SER H 1 32 LYS HB2 . . 4.900 4.649 4.606 4.743 . 0 0 "[ . 1 . 2]" 2
552 1 31 SER H 1 32 LYS QG . . 4.990 4.851 4.574 4.939 . 0 0 "[ . 1 . 2]" 2
553 1 32 LYS H 1 32 LYS QG . . 3.650 3.513 3.287 3.590 . 0 0 "[ . 1 . 2]" 2
554 1 33 ARG H 1 34 ASP H . . 3.680 2.736 2.718 2.747 . 0 0 "[ . 1 . 2]" 2
555 1 34 ASP H 1 35 GLU H . . 3.340 2.565 2.490 2.594 . 0 0 "[ . 1 . 2]" 2
556 1 32 LYS HA 1 34 ASP H . . 4.200 4.085 4.012 4.120 . 0 0 "[ . 1 . 2]" 2
557 1 33 ARG QD 1 34 ASP H . . 5.170 4.746 3.556 5.174 0.004 17 0 "[ . 1 . 2]" 2
558 1 34 ASP H 1 35 GLU HB2 . . 4.880 4.866 4.780 4.888 0.008 9 0 "[ . 1 . 2]" 2
559 1 32 LYS QG 1 34 ASP H . . 4.710 4.540 4.481 4.589 . 0 0 "[ . 1 . 2]" 2
560 1 33 ARG H 1 33 ARG QG . . 4.070 3.927 3.860 3.971 . 0 0 "[ . 1 . 2]" 2
561 1 33 ARG QG 1 34 ASP H . . 4.230 4.037 3.765 4.231 0.001 14 0 "[ . 1 . 2]" 2
562 1 32 LYS HB2 1 34 ASP H . . 4.010 3.526 3.300 3.604 . 0 0 "[ . 1 . 2]" 2
563 1 32 LYS HB2 1 35 GLU H . . 4.270 3.213 3.053 3.291 . 0 0 "[ . 1 . 2]" 2
564 1 32 LYS H 1 35 GLU H . . 4.890 3.579 3.520 3.625 . 0 0 "[ . 1 . 2]" 2
565 1 33 ARG HA 1 36 CYS H . . 4.520 3.583 3.530 3.656 . 0 0 "[ . 1 . 2]" 2
566 1 30 CYS HB3 1 36 CYS H . . 4.620 4.599 4.486 4.666 0.046 17 0 "[ . 1 . 2]" 2
567 1 30 CYS HB2 1 35 GLU H . . 5.500 5.556 5.543 5.567 0.067 12 0 "[ . 1 . 2]" 2
568 1 35 GLU HB2 1 36 CYS H . . 3.810 2.833 2.824 2.838 . 0 0 "[ . 1 . 2]" 2
569 1 35 GLU HB3 1 36 CYS H . . 4.130 3.860 3.806 3.883 . 0 0 "[ . 1 . 2]" 2
570 1 33 ARG QG 1 36 CYS H . . 4.850 4.470 4.367 4.628 . 0 0 "[ . 1 . 2]" 2
571 1 17 LEU MD1 1 35 GLU H . . 5.500 4.909 4.388 5.190 . 0 0 "[ . 1 . 2]" 2
572 1 17 LEU MD2 1 35 GLU H . . 5.500 5.253 4.634 5.492 . 0 0 "[ . 1 . 2]" 2
573 1 17 LEU MD1 1 36 CYS H . . 5.500 5.007 4.512 5.243 . 0 0 "[ . 1 . 2]" 2
574 1 17 LEU MD2 1 36 CYS H . . 5.500 5.335 4.679 5.504 0.004 5 0 "[ . 1 . 2]" 2
575 1 36 CYS HB3 1 37 CYS H . . 4.720 3.997 3.825 4.366 . 0 0 "[ . 1 . 2]" 2
576 1 38 LYS H 1 38 LYS HG2 . . 3.540 3.201 2.623 3.540 . 0 0 "[ . 1 . 2]" 2
577 1 24 LYS HB2 1 37 CYS H . . 4.440 4.032 3.734 4.349 . 0 0 "[ . 1 . 2]" 2
578 1 24 LYS HB2 1 36 CYS H . . 4.520 4.197 3.978 4.452 . 0 0 "[ . 1 . 2]" 2
579 1 37 CYS HB2 1 38 LYS H . . 3.920 3.629 3.535 3.664 . 0 0 "[ . 1 . 2]" 2
580 1 15 VAL MG2 1 38 LYS H . . 4.650 4.348 3.732 4.555 . 0 0 "[ . 1 . 2]" 2
581 1 23 CYS HB3 1 38 LYS H . . 5.440 5.410 5.131 5.479 0.039 13 0 "[ . 1 . 2]" 2
582 1 23 CYS HB3 1 37 CYS H . . 4.170 2.895 2.438 3.046 . 0 0 "[ . 1 . 2]" 2
583 1 37 CYS HB3 1 38 LYS H . . 3.440 2.136 2.027 2.183 . 0 0 "[ . 1 . 2]" 2
584 1 36 CYS HB2 1 37 CYS H . . 4.720 4.463 4.286 4.527 . 0 0 "[ . 1 . 2]" 2
585 1 37 CYS HA 1 38 LYS H . . 2.970 2.621 2.587 2.717 . 0 0 "[ . 1 . 2]" 2
586 1 36 CYS HA 1 37 CYS H . . 3.560 2.142 2.138 2.161 . 0 0 "[ . 1 . 2]" 2
587 1 37 CYS H 1 38 LYS H . . 4.670 4.506 4.464 4.529 . 0 0 "[ . 1 . 2]" 2
588 1 39 ALA H 1 40 ASP H . . 5.020 4.609 4.565 4.647 . 0 0 "[ . 1 . 2]" 2
589 1 39 ALA H 1 47 SER H . . 5.380 4.827 4.520 5.387 0.007 16 0 "[ . 1 . 2]" 2
590 1 38 LYS H 1 39 ALA H . . 4.740 4.474 4.254 4.550 . 0 0 "[ . 1 . 2]" 2
591 1 39 ALA H 1 42 GLN H . . 4.910 4.505 4.190 4.867 . 0 0 "[ . 1 . 2]" 2
592 1 36 CYS H 1 37 CYS H . . 4.600 4.492 4.432 4.562 . 0 0 "[ . 1 . 2]" 2
593 1 39 ALA HA 1 40 ASP H . . 3.010 2.421 2.326 2.506 . 0 0 "[ . 1 . 2]" 2
594 1 40 ASP H 1 66 ILE MD . . 4.890 4.895 4.891 4.902 0.012 20 0 "[ . 1 . 2]" 2
595 1 10 ILE MG 1 40 ASP H . . 4.330 3.627 3.444 3.753 . 0 0 "[ . 1 . 2]" 2
596 1 40 ASP H 1 66 ILE MG . . 5.240 4.993 4.867 5.123 . 0 0 "[ . 1 . 2]" 2
597 1 39 ALA MB 1 40 ASP H . . 3.250 2.384 2.173 2.643 . 0 0 "[ . 1 . 2]" 2
598 1 38 LYS HB2 1 39 ALA H . . 4.350 3.800 3.450 4.161 . 0 0 "[ . 1 . 2]" 2
599 1 38 LYS HB3 1 39 ALA H . . 3.990 2.933 2.381 3.461 . 0 0 "[ . 1 . 2]" 2
600 1 39 ALA H 1 42 GLN HB3 . . 4.340 3.182 2.689 3.575 . 0 0 "[ . 1 . 2]" 2
601 1 12 HIS HB3 1 40 ASP H . . 3.900 3.844 3.790 3.902 0.002 18 0 "[ . 1 . 2]" 2
602 1 38 LYS HA 1 39 ALA H . . 3.010 2.252 2.142 2.435 . 0 0 "[ . 1 . 2]" 2
603 1 12 HIS HA 1 40 ASP H . . 3.680 2.484 2.462 2.510 . 0 0 "[ . 1 . 2]" 2
604 1 40 ASP H 1 42 GLN H . . 4.870 4.765 4.646 4.865 . 0 0 "[ . 1 . 2]" 2
605 1 40 ASP H 1 41 ASP H . . 3.340 2.813 2.759 2.833 . 0 0 "[ . 1 . 2]" 2
606 1 41 ASP H 1 42 GLN H . . 4.170 3.183 3.090 3.224 . 0 0 "[ . 1 . 2]" 2
607 1 42 GLN H 1 43 LYS H . . 3.320 2.757 2.740 2.764 . 0 0 "[ . 1 . 2]" 2
608 1 42 GLN H 1 44 THR H . . 4.510 4.340 4.324 4.354 . 0 0 "[ . 1 . 2]" 2
609 1 42 GLN H 1 45 TYR QD . . 5.040 4.861 4.742 4.935 . 0 0 "[ . 1 . 2]" 2
610 1 41 ASP H 1 45 TYR QD . . 3.830 2.901 2.817 3.057 . 0 0 "[ . 1 . 2]" 2
611 1 41 ASP H 1 45 TYR QE . . 4.920 3.613 3.469 3.748 . 0 0 "[ . 1 . 2]" 2
612 1 41 ASP HA 1 42 GLN H . . 2.850 2.643 2.590 2.716 . 0 0 "[ . 1 . 2]" 2
613 1 41 ASP H 1 42 GLN HA . . 4.930 4.499 4.413 4.566 . 0 0 "[ . 1 . 2]" 2
614 1 12 HIS HA 1 41 ASP H . . 5.210 5.219 5.210 5.226 0.016 18 0 "[ . 1 . 2]" 2
615 1 40 ASP HA 1 42 GLN H . . 4.580 4.174 3.973 4.323 . 0 0 "[ . 1 . 2]" 2
616 1 39 ALA HA 1 41 ASP H . . 4.440 4.400 4.248 4.453 0.013 13 0 "[ . 1 . 2]" 2
617 1 41 ASP HB2 1 42 GLN H . . 4.710 4.610 4.563 4.636 . 0 0 "[ . 1 . 2]" 2
618 1 42 GLN H 1 42 GLN HG2 . . 3.620 2.290 2.029 2.532 . 0 0 "[ . 1 . 2]" 2
619 1 41 ASP H 1 41 ASP HB3 . . 3.210 2.914 2.807 2.984 . 0 0 "[ . 1 . 2]" 2
620 1 42 GLN H 1 42 GLN HG3 . . 3.620 3.196 2.566 3.639 0.019 14 0 "[ . 1 . 2]" 2
621 1 40 ASP HB2 1 41 ASP H . . 3.210 2.730 2.658 2.819 . 0 0 "[ . 1 . 2]" 2
622 1 41 ASP HB3 1 42 GLN H . . 4.710 4.302 4.262 4.329 . 0 0 "[ . 1 . 2]" 2
623 1 41 ASP H 1 42 GLN HB3 . . 5.280 5.072 4.876 5.163 . 0 0 "[ . 1 . 2]" 2
624 1 39 ALA MB 1 41 ASP H . . 3.200 2.733 2.447 2.802 . 0 0 "[ . 1 . 2]" 2
625 1 39 ALA MB 1 42 GLN H . . 4.940 3.659 3.525 3.792 . 0 0 "[ . 1 . 2]" 2
626 1 10 ILE MG 1 41 ASP H . . 4.530 3.888 3.602 4.095 . 0 0 "[ . 1 . 2]" 2
627 1 41 ASP H 1 43 LYS H . . 5.190 5.183 5.136 5.212 0.022 20 0 "[ . 1 . 2]" 2
628 1 43 LYS H 1 44 THR H . . 2.840 2.710 2.696 2.744 . 0 0 "[ . 1 . 2]" 2
629 1 43 LYS H 1 45 TYR H . . 4.110 4.063 4.019 4.085 . 0 0 "[ . 1 . 2]" 2
630 1 44 THR H 1 45 TYR QD . . 4.800 4.556 4.484 4.605 . 0 0 "[ . 1 . 2]" 2
631 1 43 LYS H 1 44 THR HA . . 5.460 5.335 5.324 5.360 . 0 0 "[ . 1 . 2]" 2
632 1 41 ASP HA 1 43 LYS H . . 3.590 3.190 3.155 3.208 . 0 0 "[ . 1 . 2]" 2
633 1 42 GLN HA 1 44 THR H . . 4.490 3.806 3.728 3.865 . 0 0 "[ . 1 . 2]" 2
634 1 41 ASP HA 1 44 THR H . . 4.760 4.054 4.002 4.142 . 0 0 "[ . 1 . 2]" 2
635 1 42 GLN HB2 1 44 THR H . . 5.500 5.299 5.205 5.427 . 0 0 "[ . 1 . 2]" 2
636 1 43 LYS QB 1 44 THR H . . 2.930 2.800 2.766 2.830 . 0 0 "[ . 1 . 2]" 2
637 1 43 LYS HD2 1 44 THR H . . 5.500 5.220 4.846 5.497 . 0 0 "[ . 1 . 2]" 2
638 1 43 LYS HD3 1 44 THR H . . 5.500 5.207 3.726 5.424 . 0 0 "[ . 1 . 2]" 2
639 1 43 LYS H 1 43 LYS HG3 . . 4.300 2.587 1.992 3.624 . 0 0 "[ . 1 . 2]" 2
640 1 43 LYS H 1 43 LYS HG2 . . 4.300 3.162 1.949 3.756 . 0 0 "[ . 1 . 2]" 2
641 1 44 THR H 1 44 THR MG . . 3.530 3.100 2.952 3.186 . 0 0 "[ . 1 . 2]" 2
642 1 44 THR H 1 69 VAL MG2 . . 5.180 4.932 4.709 5.138 . 0 0 "[ . 1 . 2]" 2
643 1 45 TYR H 1 46 SER H . . 4.640 4.534 4.514 4.562 . 0 0 "[ . 1 . 2]" 2
644 1 44 THR H 1 45 TYR H . . 3.140 2.063 2.005 2.115 . 0 0 "[ . 1 . 2]" 2
645 1 45 TYR H 1 45 TYR QD . . 3.530 3.170 3.137 3.191 . 0 0 "[ . 1 . 2]" 2
646 1 45 TYR H 1 45 TYR QE . . 4.640 4.480 4.438 4.513 . 0 0 "[ . 1 . 2]" 2
647 1 46 SER H 1 47 SER H . . 4.640 4.462 4.424 4.555 . 0 0 "[ . 1 . 2]" 2
648 1 45 TYR QD 1 46 SER H . . 4.370 4.203 4.180 4.220 . 0 0 "[ . 1 . 2]" 2
649 1 45 TYR HA 1 46 SER H . . 3.030 2.213 2.184 2.283 . 0 0 "[ . 1 . 2]" 2
650 1 42 GLN HA 1 45 TYR H . . 3.980 3.118 2.996 3.154 . 0 0 "[ . 1 . 2]" 2
651 1 46 SER H 1 68 ALA HA . . 4.120 3.400 3.310 3.542 . 0 0 "[ . 1 . 2]" 2
652 1 43 LYS HA 1 45 TYR H . . 5.020 4.959 4.890 5.011 . 0 0 "[ . 1 . 2]" 2
653 1 44 THR HB 1 45 TYR H . . 3.640 3.510 3.461 3.638 . 0 0 "[ . 1 . 2]" 2
654 1 46 SER H 1 67 CYS QB . . 4.500 4.330 4.245 4.406 . 0 0 "[ . 1 . 2]" 2
655 1 45 TYR HB3 1 46 SER H . . 4.090 3.017 2.798 3.121 . 0 0 "[ . 1 . 2]" 2
656 1 45 TYR HB2 1 46 SER H . . 3.930 3.828 3.650 3.912 . 0 0 "[ . 1 . 2]" 2
657 1 42 GLN HB2 1 45 TYR H . . 5.260 5.244 5.099 5.275 0.015 8 0 "[ . 1 . 2]" 2
658 1 43 LYS QB 1 45 TYR H . . 4.730 4.673 4.633 4.711 . 0 0 "[ . 1 . 2]" 2
659 1 39 ALA MB 1 45 TYR H . . 4.320 4.310 4.206 4.333 0.013 3 0 "[ . 1 . 2]" 2
660 1 46 SER H 1 68 ALA MB . . 4.960 4.857 4.802 4.962 0.002 9 0 "[ . 1 . 2]" 2
661 1 45 TYR H 1 68 ALA MB . . 5.370 5.075 4.902 5.198 . 0 0 "[ . 1 . 2]" 2
662 1 46 SER H 1 66 ILE MG . . 4.030 3.859 3.244 4.035 0.005 20 0 "[ . 1 . 2]" 2
663 1 46 SER H 1 69 VAL MG2 . . 3.600 3.082 2.733 3.487 . 0 0 "[ . 1 . 2]" 2
664 1 44 THR MG 1 45 TYR H . . 4.150 4.093 4.018 4.128 . 0 0 "[ . 1 . 2]" 2
665 1 46 SER HA 1 47 SER H . . 3.090 2.214 2.143 2.466 . 0 0 "[ . 1 . 2]" 2
666 1 46 SER QB 1 47 SER H . . 3.700 3.528 3.079 3.702 0.002 9 0 "[ . 1 . 2]" 2
667 1 56 MET H 1 57 GLU QG . . 4.460 4.159 4.044 4.338 . 0 0 "[ . 1 . 2]" 2
668 1 55 ALA MB 1 56 MET H . . 3.060 2.591 2.458 2.692 . 0 0 "[ . 1 . 2]" 2
669 1 54 SER HA 1 56 MET H . . 4.040 3.878 3.716 4.008 . 0 0 "[ . 1 . 2]" 2
670 1 48 GLY H 1 65 TYR QE . . 4.830 4.087 3.912 4.235 . 0 0 "[ . 1 . 2]" 2
671 1 55 ALA H 1 56 MET H . . 3.270 2.537 2.453 2.611 . 0 0 "[ . 1 . 2]" 2
672 1 48 GLY H 1 49 CYS H . . 4.670 4.301 4.285 4.311 . 0 0 "[ . 1 . 2]" 2
673 1 48 GLY H 1 65 TYR QD . . 4.530 3.961 3.850 4.054 . 0 0 "[ . 1 . 2]" 2
674 1 50 ALA H 1 65 TYR QD . . 4.330 3.039 2.940 3.137 . 0 0 "[ . 1 . 2]" 2
675 1 50 ALA H 1 65 TYR QE . . 4.540 2.111 1.949 2.375 . 0 0 "[ . 1 . 2]" 2
676 1 50 ALA H 1 63 GLU H . . 3.910 3.590 3.425 3.696 . 0 0 "[ . 1 . 2]" 2
677 1 49 CYS H 1 65 TYR QE . . 4.530 4.456 4.401 4.526 . 0 0 "[ . 1 . 2]" 2
678 1 49 CYS H 1 65 TYR QD . . 5.500 5.506 5.500 5.511 0.011 6 0 "[ . 1 . 2]" 2
679 1 48 GLY H 1 66 ILE HA . . 4.540 4.374 4.201 4.509 . 0 0 "[ . 1 . 2]" 2
680 1 48 GLY HA2 1 49 CYS H . . 3.360 2.320 2.318 2.322 . 0 0 "[ . 1 . 2]" 2
681 1 48 GLY HA3 1 49 CYS H . . 3.360 2.841 2.839 2.842 . 0 0 "[ . 1 . 2]" 2
682 1 33 ARG QG 1 49 CYS H . . 4.020 2.274 2.054 2.401 . 0 0 "[ . 1 . 2]" 2
683 1 48 GLY H 1 65 TYR HB2 . . 5.500 5.517 5.504 5.529 0.029 10 0 "[ . 1 . 2]" 2
684 1 33 ARG H 1 49 CYS H . . 5.500 5.543 5.531 5.562 0.062 10 0 "[ . 1 . 2]" 2
685 1 49 CYS HB3 1 50 ALA H . . 4.390 4.258 4.254 4.260 . 0 0 "[ . 1 . 2]" 2
686 1 52 THR H 1 63 GLU H . . 4.320 4.066 3.954 4.192 . 0 0 "[ . 1 . 2]" 2
687 1 52 THR H 1 53 TRP H . . 4.290 4.179 4.139 4.229 . 0 0 "[ . 1 . 2]" 2
688 1 51 GLN H 1 52 THR H . . 4.700 4.614 4.602 4.630 . 0 0 "[ . 1 . 2]" 2
689 1 52 THR H 1 60 PHE QE . . 5.500 5.438 5.260 5.491 . 0 0 "[ . 1 . 2]" 2
690 1 52 THR H 1 60 PHE QD . . 5.030 3.537 3.283 3.621 . 0 0 "[ . 1 . 2]" 2
691 1 50 ALA HA 1 51 GLN H . . 3.330 2.332 2.299 2.364 . 0 0 "[ . 1 . 2]" 2
692 1 51 GLN HA 1 52 THR H . . 3.440 2.210 2.191 2.245 . 0 0 "[ . 1 . 2]" 2
693 1 52 THR H 1 60 PHE HA . . 3.950 3.772 3.488 3.933 . 0 0 "[ . 1 . 2]" 2
694 1 52 THR H 1 54 SER QB . . 5.180 4.937 4.827 5.003 . 0 0 "[ . 1 . 2]" 2
695 1 52 THR H 1 60 PHE HB3 . . 4.580 4.230 3.911 4.372 . 0 0 "[ . 1 . 2]" 2
696 1 50 ALA MB 1 51 GLN H . . 3.280 2.548 2.454 2.628 . 0 0 "[ . 1 . 2]" 2
697 1 52 THR H 1 61 VAL MG1 . . 5.390 5.111 4.900 5.218 . 0 0 "[ . 1 . 2]" 2
698 1 52 THR H 1 61 VAL MG2 . . 4.820 3.405 3.294 3.547 . 0 0 "[ . 1 . 2]" 2
699 1 53 TRP H 1 54 SER H . . 4.630 4.416 4.408 4.514 . 0 0 "[ . 1 . 2]" 2
700 1 54 SER H 1 55 ALA H . . 4.610 4.343 4.236 4.414 . 0 0 "[ . 1 . 2]" 2
701 1 54 SER H 1 61 VAL H . . 4.480 3.890 3.684 4.212 . 0 0 "[ . 1 . 2]" 2
702 1 53 TRP H 1 60 PHE QD . . 4.320 3.169 2.889 3.378 . 0 0 "[ . 1 . 2]" 2
703 1 54 SER H 1 59 GLY H . . 4.340 3.437 3.314 3.519 . 0 0 "[ . 1 . 2]" 2
704 1 52 THR HA 1 53 TRP H . . 3.350 2.155 2.148 2.172 . 0 0 "[ . 1 . 2]" 2
705 1 53 TRP H 1 60 PHE HA . . 4.590 4.556 4.406 4.601 0.011 13 0 "[ . 1 . 2]" 2
706 1 54 SER HA 1 55 ALA H . . 2.990 2.141 2.138 2.154 . 0 0 "[ . 1 . 2]" 2
707 1 53 TRP HA 1 54 SER H . . 3.030 2.147 2.142 2.149 . 0 0 "[ . 1 . 2]" 2
708 1 53 TRP H 1 54 SER QB . . 5.500 5.475 5.400 5.507 0.007 13 0 "[ . 1 . 2]" 2
709 1 53 TRP HB3 1 54 SER H . . 4.540 4.412 4.295 4.424 . 0 0 "[ . 1 . 2]" 2
710 1 53 TRP HB2 1 54 SER H . . 4.360 4.333 4.232 4.349 . 0 0 "[ . 1 . 2]" 2
711 1 54 SER H 1 57 GLU HB2 . . 4.570 4.489 4.322 4.573 0.003 14 0 "[ . 1 . 2]" 2
712 1 52 THR MG 1 53 TRP H . . 4.060 3.924 3.872 3.977 . 0 0 "[ . 1 . 2]" 2
713 1 56 MET H 1 57 GLU H . . 3.150 2.730 2.657 2.860 . 0 0 "[ . 1 . 2]" 2
714 1 55 ALA H 1 57 GLU H . . 4.590 4.247 4.122 4.411 . 0 0 "[ . 1 . 2]" 2
715 1 57 GLU H 1 58 GLY H . . 3.090 2.511 2.456 2.540 . 0 0 "[ . 1 . 2]" 2
716 1 56 MET H 1 58 GLY H . . 4.510 3.852 3.799 3.915 . 0 0 "[ . 1 . 2]" 2
717 1 57 GLU H 1 59 GLY H . . 4.350 4.325 4.288 4.352 0.002 15 0 "[ . 1 . 2]" 2
718 1 54 SER HA 1 57 GLU H . . 4.650 4.426 4.334 4.563 . 0 0 "[ . 1 . 2]" 2
719 1 56 MET HA 1 58 GLY H . . 4.600 4.417 4.371 4.471 . 0 0 "[ . 1 . 2]" 2
720 1 54 SER QB 1 57 GLU H . . 3.480 3.135 2.793 3.357 . 0 0 "[ . 1 . 2]" 2
721 1 54 SER QB 1 56 MET H . . 4.530 4.304 4.052 4.468 . 0 0 "[ . 1 . 2]" 2
722 1 57 GLU HB3 1 58 GLY H . . 4.010 3.937 3.921 3.970 . 0 0 "[ . 1 . 2]" 2
723 1 57 GLU HB2 1 58 GLY H . . 3.500 2.802 2.799 2.804 . 0 0 "[ . 1 . 2]" 2
724 1 57 GLU QG 1 58 GLY H . . 4.380 3.902 3.838 3.930 . 0 0 "[ . 1 . 2]" 2
725 1 57 GLU H 1 57 GLU QG . . 3.270 2.014 1.962 2.192 . 0 0 "[ . 1 . 2]" 2
726 1 56 MET HB2 1 57 GLU H . . 3.060 2.514 2.432 2.577 . 0 0 "[ . 1 . 2]" 2
727 1 57 GLU H 1 61 VAL MG2 . . 4.740 4.690 4.564 4.742 0.002 16 0 "[ . 1 . 2]" 2
728 1 58 GLY H 1 61 VAL MG2 . . 5.290 5.104 5.028 5.244 . 0 0 "[ . 1 . 2]" 2
729 1 55 ALA H 1 56 MET HB2 . . 4.840 4.535 4.439 4.594 . 0 0 "[ . 1 . 2]" 2
730 1 58 GLY H 1 59 GLY H . . 3.110 2.504 2.464 2.536 . 0 0 "[ . 1 . 2]" 2
731 1 60 PHE H 1 60 PHE QD . . 3.300 2.876 2.635 3.077 . 0 0 "[ . 1 . 2]" 2
732 1 54 SER H 1 60 PHE H . . 4.710 4.687 4.609 4.718 0.008 19 0 "[ . 1 . 2]" 2
733 1 60 PHE QD 1 61 VAL H . . 4.140 3.626 3.492 3.786 . 0 0 "[ . 1 . 2]" 2
734 1 61 VAL H 1 62 ARG H . . 4.720 4.375 4.333 4.394 . 0 0 "[ . 1 . 2]" 2
735 1 60 PHE H 1 61 VAL H . . 4.610 4.493 4.489 4.508 . 0 0 "[ . 1 . 2]" 2
736 1 59 GLY H 1 60 PHE H . . 4.320 4.239 4.207 4.297 . 0 0 "[ . 1 . 2]" 2
737 1 53 TRP HE3 1 60 PHE H . . 4.860 4.527 4.120 4.858 . 0 0 "[ . 1 . 2]" 2
738 1 58 GLY HA2 1 59 GLY H . . 3.530 2.913 2.901 2.920 . 0 0 "[ . 1 . 2]" 2
739 1 59 GLY HA2 1 60 PHE H . . 3.240 2.229 2.207 2.296 . 0 0 "[ . 1 . 2]" 2
740 1 54 SER QB 1 61 VAL H . . 4.820 3.728 3.541 3.813 . 0 0 "[ . 1 . 2]" 2
741 1 53 TRP HA 1 60 PHE H . . 4.640 4.613 4.514 4.642 0.002 7 0 "[ . 1 . 2]" 2
742 1 59 GLY HA3 1 60 PHE H . . 3.240 2.978 2.869 3.016 . 0 0 "[ . 1 . 2]" 2
743 1 60 PHE HB3 1 61 VAL H . . 3.660 3.491 3.451 3.505 . 0 0 "[ . 1 . 2]" 2
744 1 57 GLU HB2 1 59 GLY H . . 3.690 2.806 2.751 2.838 . 0 0 "[ . 1 . 2]" 2
745 1 57 GLU HB3 1 59 GLY H . . 4.300 3.940 3.881 4.014 . 0 0 "[ . 1 . 2]" 2
746 1 62 ARG QB 1 63 GLU H . . 4.080 3.463 3.452 3.488 . 0 0 "[ . 1 . 2]" 2
747 1 62 ARG H 1 62 ARG HG3 . . 4.530 2.577 2.205 3.519 . 0 0 "[ . 1 . 2]" 2
748 1 62 ARG H 1 62 ARG HG2 . . 4.530 3.408 2.320 4.092 . 0 0 "[ . 1 . 2]" 2
749 1 59 GLY H 1 61 VAL MG2 . . 5.100 4.117 4.004 4.333 . 0 0 "[ . 1 . 2]" 2
750 1 60 PHE H 1 61 VAL MG2 . . 5.360 5.075 4.995 5.199 . 0 0 "[ . 1 . 2]" 2
751 1 61 VAL H 1 61 VAL MG1 . . 3.350 3.248 3.131 3.323 . 0 0 "[ . 1 . 2]" 2
752 1 52 THR MG 1 61 VAL H . . 5.230 5.173 5.053 5.233 0.003 11 0 "[ . 1 . 2]" 2
753 1 61 VAL MG2 1 63 GLU H . . 4.950 4.360 4.285 4.440 . 0 0 "[ . 1 . 2]" 2
754 1 61 VAL HA 1 62 ARG H . . 2.830 2.235 2.188 2.261 . 0 0 "[ . 1 . 2]" 2
755 1 51 GLN HA 1 62 ARG H . . 4.380 3.515 3.390 3.615 . 0 0 "[ . 1 . 2]" 2
756 1 60 PHE HA 1 61 VAL H . . 3.410 2.140 2.139 2.141 . 0 0 "[ . 1 . 2]" 2
757 1 52 THR HA 1 61 VAL H . . 5.160 4.800 4.674 4.897 . 0 0 "[ . 1 . 2]" 2
758 1 61 VAL H 1 62 ARG HA . . 5.500 4.792 4.736 4.882 . 0 0 "[ . 1 . 2]" 2
759 1 51 GLN HA 1 63 GLU H . . 3.960 3.645 3.418 3.784 . 0 0 "[ . 1 . 2]" 2
760 1 29 SER HA 1 63 GLU H . . 5.020 4.845 4.744 4.945 . 0 0 "[ . 1 . 2]" 2
761 1 63 GLU HA 1 64 CYS H . . 3.170 2.179 2.167 2.188 . 0 0 "[ . 1 . 2]" 2
762 1 30 CYS H 1 64 CYS H . . 5.330 5.239 5.190 5.298 . 0 0 "[ . 1 . 2]" 2
763 1 6 LEU MD1 1 65 TYR H . . 4.870 4.114 3.983 4.269 . 0 0 "[ . 1 . 2]" 2
764 1 65 TYR H 1 66 ILE HG13 . . 5.080 3.911 3.721 4.122 . 0 0 "[ . 1 . 2]" 2
765 1 36 CYS HB3 1 65 TYR H . . 5.500 5.485 5.419 5.520 0.020 16 0 "[ . 1 . 2]" 2
766 1 64 CYS HB2 1 65 TYR H . . 4.460 4.200 4.075 4.338 . 0 0 "[ . 1 . 2]" 2
767 1 36 CYS HB2 1 65 TYR H . . 5.500 5.348 5.095 5.509 0.009 13 0 "[ . 1 . 2]" 2
768 1 49 CYS HA 1 65 TYR H . . 4.020 3.555 3.357 3.754 . 0 0 "[ . 1 . 2]" 2
769 1 48 GLY H 1 65 TYR H . . 3.600 2.885 2.755 3.038 . 0 0 "[ . 1 . 2]" 2
770 1 65 TYR H 1 65 TYR QD . . 3.480 3.172 3.033 3.338 . 0 0 "[ . 1 . 2]" 2
771 1 65 TYR H 1 65 TYR QE . . 4.620 4.316 4.188 4.470 . 0 0 "[ . 1 . 2]" 2
772 1 64 CYS H 1 65 TYR H . . 4.640 4.613 4.577 4.636 . 0 0 "[ . 1 . 2]" 2
773 1 7 GLY H 1 66 ILE H . . 4.800 3.680 3.587 3.828 . 0 0 "[ . 1 . 2]" 2
774 1 65 TYR QD 1 66 ILE H . . 3.890 3.813 3.697 3.893 0.003 7 0 "[ . 1 . 2]" 2
775 1 7 GLY HA3 1 66 ILE H . . 4.010 3.494 3.391 3.601 . 0 0 "[ . 1 . 2]" 2
776 1 65 TYR HB3 1 66 ILE H . . 4.200 3.914 3.868 3.944 . 0 0 "[ . 1 . 2]" 2
777 1 65 TYR HB2 1 66 ILE H . . 3.690 2.830 2.770 2.878 . 0 0 "[ . 1 . 2]" 2
778 1 6 LEU MD1 1 66 ILE H . . 3.970 3.489 3.380 3.594 . 0 0 "[ . 1 . 2]" 2
779 1 66 ILE H 1 66 ILE MD . . 4.270 4.066 3.985 4.157 . 0 0 "[ . 1 . 2]" 2
780 1 66 ILE H 1 67 CYS H . . 4.750 4.103 4.010 4.209 . 0 0 "[ . 1 . 2]" 2
781 1 46 SER H 1 67 CYS H . . 4.090 3.060 2.707 3.265 . 0 0 "[ . 1 . 2]" 2
782 1 68 ALA H 1 69 VAL H . . 4.650 4.599 4.568 4.622 . 0 0 "[ . 1 . 2]" 2
783 1 65 TYR QE 1 67 CYS H . . 5.300 5.142 4.773 5.301 0.001 10 0 "[ . 1 . 2]" 2
784 1 65 TYR QD 1 67 CYS H . . 3.930 3.756 3.457 3.934 0.004 19 0 "[ . 1 . 2]" 2
785 1 45 TYR QE 1 68 ALA H . . 5.200 5.099 4.938 5.207 0.007 19 0 "[ . 1 . 2]" 2
786 1 45 TYR QD 1 68 ALA H . . 4.340 3.948 3.782 4.065 . 0 0 "[ . 1 . 2]" 2
787 1 45 TYR HA 1 67 CYS H . . 4.810 4.447 4.302 4.552 . 0 0 "[ . 1 . 2]" 2
788 1 66 ILE HA 1 67 CYS H . . 3.470 2.144 2.138 2.154 . 0 0 "[ . 1 . 2]" 2
789 1 67 CYS HA 1 68 ALA H . . 3.100 2.386 2.298 2.481 . 0 0 "[ . 1 . 2]" 2
790 1 68 ALA H 1 71 SER HB2 . . 5.500 4.817 3.640 5.539 0.039 7 0 "[ . 1 . 2]" 2
791 1 68 ALA H 1 71 SER HB3 . . 5.500 4.444 3.731 5.491 . 0 0 "[ . 1 . 2]" 2
792 1 46 SER QB 1 67 CYS H . . 4.570 3.845 3.046 4.584 0.014 8 0 "[ . 1 . 2]" 2
793 1 67 CYS QB 1 68 ALA H . . 3.200 2.804 2.501 3.135 . 0 0 "[ . 1 . 2]" 2
794 1 45 TYR HB3 1 68 ALA H . . 4.980 4.635 4.512 4.819 . 0 0 "[ . 1 . 2]" 2
795 1 66 ILE MG 1 67 CYS H . . 3.540 2.861 2.615 3.061 . 0 0 "[ . 1 . 2]" 2
796 1 66 ILE HB 1 67 CYS H . . 4.630 4.325 4.235 4.392 . 0 0 "[ . 1 . 2]" 2
797 1 66 ILE HG12 1 67 CYS H . . 4.630 4.532 4.423 4.636 0.006 9 0 "[ . 1 . 2]" 2
798 1 67 CYS QB 1 69 VAL H . . 5.500 5.449 5.331 5.510 0.010 15 0 "[ . 1 . 2]" 2
799 1 68 ALA H 1 71 SER H . . 5.080 4.976 4.525 5.100 0.020 20 0 "[ . 1 . 2]" 2
800 1 46 SER H 1 69 VAL H . . 4.750 4.075 3.710 4.414 . 0 0 "[ . 1 . 2]" 2
801 1 69 VAL H 1 70 GLU H . . 3.880 2.552 2.479 2.692 . 0 0 "[ . 1 . 2]" 2
802 1 45 TYR QE 1 69 VAL H . . 5.390 5.326 5.133 5.395 0.005 4 0 "[ . 1 . 2]" 2
803 1 45 TYR QD 1 69 VAL H . . 4.050 3.656 3.556 3.801 . 0 0 "[ . 1 . 2]" 2
804 1 68 ALA HA 1 69 VAL H . . 3.350 2.241 2.184 2.348 . 0 0 "[ . 1 . 2]" 2
805 1 45 TYR HA 1 69 VAL H . . 3.420 3.095 2.857 3.391 . 0 0 "[ . 1 . 2]" 2
806 1 70 GLU H 1 70 GLU QG . . 3.500 1.944 1.922 2.111 . 0 0 "[ . 1 . 2]" 2
807 1 68 ALA MB 1 70 GLU H . . 3.870 3.185 2.896 3.358 . 0 0 "[ . 1 . 2]" 2
808 1 68 ALA MB 1 69 VAL H . . 3.420 2.855 2.657 3.022 . 0 0 "[ . 1 . 2]" 2
809 1 69 VAL H 1 69 VAL MG2 . . 2.750 2.217 2.114 2.256 . 0 0 "[ . 1 . 2]" 2
810 1 44 THR MG 1 69 VAL H . . 5.210 5.049 4.831 5.166 . 0 0 "[ . 1 . 2]" 2
811 1 44 THR MG 1 70 GLU H . . 5.350 5.022 4.687 5.354 0.004 18 0 "[ . 1 . 2]" 2
812 1 70 GLU H 1 71 SER H . . 3.060 2.430 2.231 2.512 . 0 0 "[ . 1 . 2]" 2
813 1 72 SER H 1 72 SER HB2 . . 3.510 2.506 2.189 3.497 . 0 0 "[ . 1 . 2]" 2
814 1 71 SER HA 1 72 SER H . . 2.770 2.250 2.140 2.491 . 0 0 "[ . 1 . 2]" 2
815 1 69 VAL HA 1 71 SER H . . 4.790 4.558 4.456 4.798 0.008 18 0 "[ . 1 . 2]" 2
816 1 70 GLU HB3 1 71 SER H . . 4.270 4.026 3.963 4.046 . 0 0 "[ . 1 . 2]" 2
817 1 70 GLU HB2 1 71 SER H . . 4.270 3.647 2.753 3.794 . 0 0 "[ . 1 . 2]" 2
818 1 70 GLU QG 1 71 SER H . . 4.310 2.265 1.947 3.748 . 0 0 "[ . 1 . 2]" 2
819 1 68 ALA MB 1 71 SER H . . 3.730 2.010 1.920 2.325 . 0 0 "[ . 1 . 2]" 2
820 1 69 VAL MG2 1 71 SER H . . 5.250 5.149 5.112 5.168 . 0 0 "[ . 1 . 2]" 2
821 1 72 SER H 1 73 MET H . . 3.430 2.472 2.207 2.719 . 0 0 "[ . 1 . 2]" 2
822 1 73 MET H 1 74 CYS H . . 3.390 2.987 2.636 3.388 . 0 0 "[ . 1 . 2]" 2
823 1 72 SER H 1 74 CYS H . . 4.680 4.412 3.913 4.682 0.002 5 0 "[ . 1 . 2]" 2
824 1 71 SER HB2 1 74 CYS H . . 5.500 4.785 3.251 5.485 . 0 0 "[ . 1 . 2]" 2
825 1 71 SER HB3 1 74 CYS H . . 5.500 3.615 3.060 4.309 . 0 0 "[ . 1 . 2]" 2
826 1 74 CYS H 1 74 CYS HB2 . . 3.800 3.325 2.483 3.656 . 0 0 "[ . 1 . 2]" 2
827 1 74 CYS H 1 74 CYS HB3 . . 3.800 2.633 2.318 3.933 0.133 15 0 "[ . 1 . 2]" 2
828 1 73 MET HB2 1 74 CYS H . . 4.590 3.715 2.770 4.404 . 0 0 "[ . 1 . 2]" 2
829 1 73 MET HB3 1 74 CYS H . . 4.590 4.031 3.492 4.411 . 0 0 "[ . 1 . 2]" 2
830 1 68 ALA MB 1 73 MET H . . 5.500 5.469 5.221 5.548 0.048 7 0 "[ . 1 . 2]" 2
831 1 19 ASN HB3 1 19 ASN HD22 . . 4.070 3.872 3.454 4.072 0.002 18 0 "[ . 1 . 2]" 2
832 1 19 ASN HB2 1 19 ASN HD22 . . 4.070 3.507 3.433 4.015 . 0 0 "[ . 1 . 2]" 2
833 1 17 LEU MD2 1 19 ASN HD21 . . 5.500 3.496 2.936 4.967 . 0 0 "[ . 1 . 2]" 2
834 1 17 LEU MD2 1 19 ASN HD22 . . 5.500 3.852 2.558 5.258 . 0 0 "[ . 1 . 2]" 2
835 1 56 MET H 1 56 MET HG3 . . 3.800 3.106 2.525 3.727 . 0 0 "[ . 1 . 2]" 2
836 1 24 LYS H 1 24 LYS HB3 . . 3.610 3.490 3.386 3.555 . 0 0 "[ . 1 . 2]" 2
837 1 49 CYS H 1 49 CYS HB2 . . 3.440 2.867 2.842 2.896 . 0 0 "[ . 1 . 2]" 2
838 1 56 MET H 1 56 MET HB3 . . 3.760 3.555 3.540 3.576 . 0 0 "[ . 1 . 2]" 2
839 1 56 MET HB3 1 57 GLU H . . 3.400 3.268 3.179 3.374 . 0 0 "[ . 1 . 2]" 2
840 1 2 ASN HB3 1 3 ARG H . . 3.980 2.661 2.230 3.508 . 0 0 "[ . 1 . 2]" 2
841 1 4 TRP H 1 4 TRP HB3 . . 3.650 3.582 3.579 3.586 . 0 0 "[ . 1 . 2]" 2
842 1 4 TRP H 1 4 TRP HD1 . . 3.680 3.212 3.068 3.441 . 0 0 "[ . 1 . 2]" 2
843 1 4 TRP H 1 4 TRP HE3 . . 4.270 4.105 3.836 4.257 . 0 0 "[ . 1 . 2]" 2
844 1 3 ARG H 1 4 TRP H . . 3.830 2.713 2.549 2.816 . 0 0 "[ . 1 . 2]" 2
845 1 4 TRP H 1 4 TRP HB2 . . 3.650 2.687 2.652 2.696 . 0 0 "[ . 1 . 2]" 2
846 1 5 ASN H 1 6 LEU H . . 3.480 2.700 2.678 2.724 . 0 0 "[ . 1 . 2]" 2
847 1 5 ASN H 1 5 ASN HD21 . . 4.750 4.366 3.433 4.666 . 0 0 "[ . 1 . 2]" 2
848 1 5 ASN H 1 5 ASN HB2 . . 3.770 2.500 2.345 2.599 . 0 0 "[ . 1 . 2]" 2
849 1 5 ASN H 1 5 ASN HB3 . . 3.770 3.587 3.566 3.590 . 0 0 "[ . 1 . 2]" 2
850 1 4 TRP HB3 1 5 ASN H . . 3.950 3.865 3.823 3.907 . 0 0 "[ . 1 . 2]" 2
851 1 4 TRP HB2 1 5 ASN H . . 3.950 2.710 2.660 2.750 . 0 0 "[ . 1 . 2]" 2
852 1 6 LEU H 1 7 GLY H . . 3.750 2.585 2.582 2.592 . 0 0 "[ . 1 . 2]" 2
853 1 5 ASN H 1 7 GLY H . . 5.110 4.003 3.988 4.046 . 0 0 "[ . 1 . 2]" 2
854 1 4 TRP HA 1 7 GLY H . . 4.730 3.500 3.479 3.534 . 0 0 "[ . 1 . 2]" 2
855 1 7 GLY H 1 10 ILE MD . . 4.690 4.479 4.216 4.683 . 0 0 "[ . 1 . 2]" 2
856 1 7 GLY H 1 10 ILE HG13 . . 5.360 5.176 4.921 5.306 . 0 0 "[ . 1 . 2]" 2
857 1 6 LEU HB3 1 7 GLY H . . 4.590 4.381 4.378 4.386 . 0 0 "[ . 1 . 2]" 2
858 1 8 TYR H 1 8 TYR QD . . 4.440 4.188 4.156 4.194 . 0 0 "[ . 1 . 2]" 2
859 1 8 TYR H 1 9 GLY H . . 4.050 2.737 2.686 2.800 . 0 0 "[ . 1 . 2]" 2
860 1 8 TYR H 1 12 HIS HE1 . . 4.990 4.478 4.412 4.570 . 0 0 "[ . 1 . 2]" 2
861 1 4 TRP HA 1 8 TYR H . . 3.860 3.415 3.329 3.488 . 0 0 "[ . 1 . 2]" 2
862 1 8 TYR H 1 8 TYR QB . . 3.890 2.241 2.231 2.251 . 0 0 "[ . 1 . 2]" 2
863 1 8 TYR H 1 26 PRO HB3 . . 5.060 4.782 4.488 5.000 . 0 0 "[ . 1 . 2]" 2
864 1 8 TYR H 1 10 ILE MD . . 5.380 5.090 4.729 5.287 . 0 0 "[ . 1 . 2]" 2
865 1 8 TYR H 1 10 ILE HG13 . . 5.350 4.949 4.721 5.024 . 0 0 "[ . 1 . 2]" 2
866 1 8 TYR H 1 26 PRO HB2 . . 4.040 3.994 3.810 4.048 0.008 13 0 "[ . 1 . 2]" 2
867 1 8 TYR H 1 66 ILE HB . . 4.670 4.683 4.674 4.701 0.031 8 0 "[ . 1 . 2]" 2
868 1 6 LEU HB3 1 8 TYR H . . 4.550 4.224 4.152 4.292 . 0 0 "[ . 1 . 2]" 2
869 1 8 TYR QD 1 9 GLY H . . 4.820 3.690 2.847 3.923 . 0 0 "[ . 1 . 2]" 2
870 1 4 TRP HE3 1 9 GLY H . . 4.020 3.065 2.652 3.307 . 0 0 "[ . 1 . 2]" 2
871 1 8 TYR QB 1 9 GLY H . . 4.610 2.500 2.383 2.600 . 0 0 "[ . 1 . 2]" 2
872 1 4 TRP HA 1 9 GLY H . . 4.820 3.389 3.224 3.537 . 0 0 "[ . 1 . 2]" 2
873 1 8 TYR HA 1 10 ILE H . . 4.530 4.290 4.084 4.390 . 0 0 "[ . 1 . 2]" 2
874 1 9 GLY H 1 10 ILE H . . 3.600 2.813 2.761 2.849 . 0 0 "[ . 1 . 2]" 2
875 1 10 ILE H 1 12 HIS HE1 . . 5.060 4.319 4.190 4.392 . 0 0 "[ . 1 . 2]" 2
876 1 10 ILE H 1 10 ILE MG . . 3.810 3.765 3.763 3.766 . 0 0 "[ . 1 . 2]" 2
877 1 10 ILE H 1 10 ILE HG13 . . 3.490 1.962 1.946 2.034 . 0 0 "[ . 1 . 2]" 2
878 1 10 ILE H 1 10 ILE HG12 . . 3.450 3.209 3.139 3.363 . 0 0 "[ . 1 . 2]" 2
879 1 10 ILE H 1 10 ILE HB . . 3.000 2.617 2.573 2.635 . 0 0 "[ . 1 . 2]" 2
880 1 10 ILE H 1 66 ILE HB . . 5.500 5.505 5.492 5.514 0.014 1 0 "[ . 1 . 2]" 2
881 1 11 PRO HB2 1 12 HIS H . . 4.170 3.701 3.656 3.771 . 0 0 "[ . 1 . 2]" 2
882 1 11 PRO HB3 1 12 HIS H . . 4.170 4.117 4.084 4.168 . 0 0 "[ . 1 . 2]" 2
883 1 12 HIS H 1 12 HIS HB2 . . 3.750 2.787 2.764 2.799 . 0 0 "[ . 1 . 2]" 2
884 1 11 PRO HA 1 12 HIS H . . 2.650 2.153 2.151 2.159 . 0 0 "[ . 1 . 2]" 2
885 1 12 HIS HD2 1 13 LYS H . . 4.950 4.738 4.721 4.750 . 0 0 "[ . 1 . 2]" 2
886 1 13 LYS H 1 39 ALA HA . . 4.300 3.916 3.786 4.073 . 0 0 "[ . 1 . 2]" 2
887 1 12 HIS HA 1 13 LYS H . . 3.380 2.377 2.375 2.379 . 0 0 "[ . 1 . 2]" 2
888 1 12 HIS HB2 1 13 LYS H . . 3.460 3.435 3.429 3.444 . 0 0 "[ . 1 . 2]" 2
889 1 15 VAL HB 1 16 LYS H . . 2.870 2.600 2.221 2.874 0.004 2 0 "[ . 1 . 2]" 2
890 1 14 GLN H 1 14 GLN HB2 . . 3.290 2.413 2.081 2.720 . 0 0 "[ . 1 . 2]" 2
891 1 14 GLN H 1 14 GLN HB3 . . 3.290 2.694 2.366 3.201 . 0 0 "[ . 1 . 2]" 2
892 1 13 LYS QB 1 14 GLN H . . 3.870 3.746 3.269 3.884 0.014 6 0 "[ . 1 . 2]" 2
893 1 14 GLN H 1 15 VAL MG1 . . 4.410 4.338 4.226 4.416 0.006 18 0 "[ . 1 . 2]" 2
894 1 13 LYS HA 1 14 GLN H . . 2.560 2.147 2.141 2.150 . 0 0 "[ . 1 . 2]" 2
895 1 14 GLN H 1 15 VAL H . . 4.820 4.601 4.547 4.622 . 0 0 "[ . 1 . 2]" 2
896 1 13 LYS H 1 14 GLN H . . 4.500 4.245 4.198 4.335 . 0 0 "[ . 1 . 2]" 2
897 1 15 VAL H 1 15 VAL MG2 . . 2.920 2.325 2.216 2.431 . 0 0 "[ . 1 . 2]" 2
898 1 14 GLN HB3 1 15 VAL H . . 4.620 3.854 3.353 4.186 . 0 0 "[ . 1 . 2]" 2
899 1 15 VAL H 1 23 CYS HB2 . . 4.700 3.672 3.357 3.950 . 0 0 "[ . 1 . 2]" 2
900 1 15 VAL H 1 23 CYS H . . 3.920 3.912 3.803 3.942 0.022 18 0 "[ . 1 . 2]" 2
901 1 16 LYS HA 1 17 LEU H . . 2.980 2.178 2.147 2.208 . 0 0 "[ . 1 . 2]" 2
902 1 17 LEU H 1 17 LEU HB2 . . 3.340 2.343 2.294 2.376 . 0 0 "[ . 1 . 2]" 2
903 1 17 LEU H 1 17 LEU HG . . 2.960 2.913 2.806 2.968 0.008 10 0 "[ . 1 . 2]" 2
904 1 17 LEU H 1 17 LEU MD1 . . 3.400 3.311 3.232 3.404 0.004 12 0 "[ . 1 . 2]" 2
905 1 2 ASN HB2 1 3 ARG H . . 3.980 3.646 2.087 3.944 . 0 0 "[ . 1 . 2]" 2
906 1 4 TRP H 1 5 ASN H . . 3.790 2.769 2.640 2.801 . 0 0 "[ . 1 . 2]" 2
907 1 3 ARG H 1 3 ARG HB2 . . 3.730 2.744 2.080 3.590 . 0 0 "[ . 1 . 2]" 2
908 1 12 HIS H 1 12 HIS HB3 . . 4.160 3.789 3.762 3.805 . 0 0 "[ . 1 . 2]" 2
909 1 12 HIS HB3 1 13 LYS H . . 3.260 2.583 2.578 2.587 . 0 0 "[ . 1 . 2]" 2
910 1 14 GLN HE22 1 22 LEU MD1 . . 4.350 2.939 2.014 3.948 . 0 0 "[ . 1 . 2]" 2
911 1 14 GLN HE22 1 22 LEU HB2 . . 4.690 4.115 3.674 4.688 . 0 0 "[ . 1 . 2]" 2
912 1 14 GLN HE22 1 22 LEU HG . . 5.500 5.081 4.184 5.503 0.003 8 0 "[ . 1 . 2]" 2
913 1 14 GLN HE22 1 14 GLN HG2 . . 3.990 3.644 3.443 4.023 0.033 6 0 "[ . 1 . 2]" 2
914 1 14 GLN HE22 1 14 GLN HG3 . . 3.990 3.629 3.442 3.988 . 0 0 "[ . 1 . 2]" 2
915 1 14 GLN HE21 1 22 LEU HB2 . . 4.690 3.917 3.524 4.690 . 0 0 "[ . 1 . 2]" 2
916 1 14 GLN HE21 1 22 LEU HG . . 5.500 4.758 4.408 5.492 . 0 0 "[ . 1 . 2]" 2
917 1 14 GLN HA 1 15 VAL H . . 2.560 2.206 2.159 2.231 . 0 0 "[ . 1 . 2]" 2
918 1 17 LEU H 1 17 LEU HB3 . . 3.590 3.594 3.561 3.614 0.024 5 0 "[ . 1 . 2]" 2
919 1 16 LYS H 1 22 LEU MD2 . . 3.970 3.977 3.865 3.990 0.020 5 0 "[ . 1 . 2]" 2
920 1 15 VAL H 1 15 VAL MG1 . . 3.480 3.289 3.210 3.369 . 0 0 "[ . 1 . 2]" 2
921 1 27 GLY H 1 64 CYS H . . 3.960 2.743 2.605 2.924 . 0 0 "[ . 1 . 2]" 2
922 1 49 CYS HA 1 64 CYS H . . 4.510 4.263 4.170 4.397 . 0 0 "[ . 1 . 2]" 2
923 1 2 ASN HB3 1 2 ASN HD22 . . 3.840 3.646 3.457 3.829 . 0 0 "[ . 1 . 2]" 2
924 1 2 ASN HB2 1 2 ASN HD22 . . 3.840 3.592 3.455 3.827 . 0 0 "[ . 1 . 2]" 2
925 1 3 ARG HB3 1 4 TRP H . . 4.340 3.591 2.671 4.013 . 0 0 "[ . 1 . 2]" 2
926 1 3 ARG HB2 1 4 TRP H . . 4.340 3.147 2.647 3.879 . 0 0 "[ . 1 . 2]" 2
927 1 5 ASN H 1 5 ASN HD22 . . 4.750 4.453 3.790 4.661 . 0 0 "[ . 1 . 2]" 2
928 1 5 ASN HA 1 5 ASN HD22 . . 4.980 4.147 3.408 4.652 . 0 0 "[ . 1 . 2]" 2
929 1 17 LEU H 1 20 GLY H . . 4.670 4.240 4.182 4.315 . 0 0 "[ . 1 . 2]" 2
930 1 15 VAL MG1 1 16 LYS H . . 3.620 3.563 3.431 3.629 0.009 18 0 "[ . 1 . 2]" 2
931 1 13 LYS H 1 13 LYS QB . . 2.880 2.473 2.317 2.908 0.028 14 0 "[ . 1 . 2]" 2
932 1 16 LYS H 1 16 LYS QB . . 3.070 2.482 2.285 2.610 . 0 0 "[ . 1 . 2]" 2
933 1 16 LYS QB 1 17 LEU H . . 3.390 3.044 2.925 3.212 . 0 0 "[ . 1 . 2]" 2
934 1 24 LYS HB3 1 25 GLU H . . 3.300 2.821 2.619 2.952 . 0 0 "[ . 1 . 2]" 2
935 1 32 LYS HB3 1 34 ASP H . . 3.450 2.496 2.415 2.619 . 0 0 "[ . 1 . 2]" 2
936 1 32 LYS HB3 1 33 ARG H . . 4.020 2.737 2.684 2.778 . 0 0 "[ . 1 . 2]" 2
937 1 34 ASP H 1 34 ASP HB2 . . 3.720 2.508 2.225 3.591 . 0 0 "[ . 1 . 2]" 2
938 1 38 LYS H 1 38 LYS HG3 . . 3.540 2.745 2.336 3.546 0.006 6 0 "[ . 1 . 2]" 2
939 1 40 ASP H 1 40 ASP HB3 . . 3.570 3.566 3.559 3.576 0.006 13 0 "[ . 1 . 2]" 2
940 1 47 SER QB 1 48 GLY H . . 3.400 2.867 2.672 3.015 . 0 0 "[ . 1 . 2]" 2
941 1 49 CYS H 1 50 ALA H . . 5.140 4.089 4.068 4.111 . 0 0 "[ . 1 . 2]" 2
942 1 60 PHE H 1 60 PHE HB2 . . 3.020 2.312 2.296 2.338 . 0 0 "[ . 1 . 2]" 2
943 1 61 VAL H 1 61 VAL MG2 . . 3.560 2.216 2.096 2.285 . 0 0 "[ . 1 . 2]" 2
944 1 61 VAL MG1 1 62 ARG H . . 3.840 3.680 3.620 3.786 . 0 0 "[ . 1 . 2]" 2
945 1 64 CYS H 1 64 CYS HB3 . . 3.740 3.153 2.543 3.488 . 0 0 "[ . 1 . 2]" 2
946 1 64 CYS HA 1 65 TYR H . . 3.040 2.225 2.166 2.302 . 0 0 "[ . 1 . 2]" 2
947 1 66 ILE H 1 66 ILE HG13 . . 4.090 3.082 3.047 3.114 . 0 0 "[ . 1 . 2]" 2
948 1 66 ILE H 1 66 ILE HG12 . . 4.410 4.269 4.182 4.342 . 0 0 "[ . 1 . 2]" 2
949 1 66 ILE H 1 66 ILE MG . . 4.080 3.885 3.876 3.896 . 0 0 "[ . 1 . 2]" 2
950 1 53 TRP HE1 1 55 ALA MB . . 3.450 3.190 2.994 3.352 . 0 0 "[ . 1 . 2]" 2
951 1 2 ASN QB 1 2 ASN QD . . 2.870 2.173 2.097 2.220 . 0 0 "[ . 1 . 2]" 2
952 1 2 ASN QB 1 3 ARG H . . 3.320 2.538 2.072 3.071 . 0 0 "[ . 1 . 2]" 2
953 1 2 ASN QB 1 3 ARG HA . . 4.850 4.500 4.396 4.750 . 0 0 "[ . 1 . 2]" 2
954 1 2 ASN QB 1 4 TRP H . . 4.190 2.686 2.523 2.833 . 0 0 "[ . 1 . 2]" 2
955 1 3 ARG H 1 3 ARG QB . . 3.160 2.388 2.052 2.623 . 0 0 "[ . 1 . 2]" 2
956 1 3 ARG QB 1 4 TRP H . . 3.810 2.873 2.604 3.428 . 0 0 "[ . 1 . 2]" 2
957 1 4 TRP QB 1 4 TRP HE1 . . 4.480 4.383 4.372 4.390 . 0 0 "[ . 1 . 2]" 2
958 1 5 ASN H 1 5 ASN QB . . 3.120 2.454 2.315 2.541 . 0 0 "[ . 1 . 2]" 2
959 1 5 ASN HA 1 5 ASN QD . . 4.290 3.256 2.016 4.027 . 0 0 "[ . 1 . 2]" 2
960 1 6 LEU HG 1 63 GLU QG . . 4.400 4.106 3.813 4.357 . 0 0 "[ . 1 . 2]" 2
961 1 6 LEU MD1 1 63 GLU QG . . 4.820 2.748 2.293 3.067 . 0 0 "[ . 1 . 2]" 2
962 1 10 ILE HA 1 11 PRO QD . . 3.220 1.938 1.937 1.939 . 0 0 "[ . 1 . 2]" 2
963 1 10 ILE MG 1 11 PRO QB . . 4.360 4.051 4.049 4.054 . 0 0 "[ . 1 . 2]" 2
964 1 10 ILE MG 1 11 PRO QD . . 3.510 1.889 1.887 1.891 . 0 0 "[ . 1 . 2]" 2
965 1 11 PRO QB 1 12 HIS H . . 3.530 3.448 3.411 3.506 . 0 0 "[ . 1 . 2]" 2
966 1 13 LYS HA 1 14 GLN QB . . 4.400 4.074 4.028 4.097 . 0 0 "[ . 1 . 2]" 2
967 1 14 GLN H 1 14 GLN QB . . 2.840 2.205 2.056 2.268 . 0 0 "[ . 1 . 2]" 2
968 1 14 GLN QB 1 15 VAL H . . 3.890 3.540 3.243 3.666 . 0 0 "[ . 1 . 2]" 2
969 1 14 GLN QB 1 22 LEU MD1 . . 4.870 4.858 4.606 4.881 0.011 14 0 "[ . 1 . 2]" 2
970 1 14 GLN QE 1 14 GLN QG . . 3.040 2.164 2.073 2.225 . 0 0 "[ . 1 . 2]" 2
971 1 14 GLN QG 1 22 LEU MD1 . . 4.520 3.543 3.190 4.197 . 0 0 "[ . 1 . 2]" 2
972 1 14 GLN QG 1 22 LEU MD2 . . 4.280 3.369 2.852 4.288 0.008 6 0 "[ . 1 . 2]" 2
973 1 14 GLN QE 1 22 LEU HA . . 5.060 3.881 2.817 4.635 . 0 0 "[ . 1 . 2]" 2
974 1 14 GLN QE 1 22 LEU HB2 . . 4.080 3.524 3.253 3.973 . 0 0 "[ . 1 . 2]" 2
975 1 14 GLN QE 1 22 LEU HG . . 4.690 4.278 3.937 4.682 . 0 0 "[ . 1 . 2]" 2
976 1 14 GLN QE 1 22 LEU MD2 . . 4.460 2.559 1.813 3.411 . 0 0 "[ . 1 . 2]" 2
977 1 15 VAL H 1 16 LYS QG . . 5.340 5.201 5.037 5.338 . 0 0 "[ . 1 . 2]" 2
978 1 16 LYS H 1 16 LYS QG . . 3.370 2.404 2.093 2.837 . 0 0 "[ . 1 . 2]" 2
979 1 16 LYS HA 1 16 LYS QG . . 3.470 2.470 2.352 2.613 . 0 0 "[ . 1 . 2]" 2
980 1 16 LYS HA 1 16 LYS QD . . 4.430 3.783 2.725 4.278 . 0 0 "[ . 1 . 2]" 2
981 1 16 LYS QE 1 16 LYS QG . . 3.470 2.218 2.080 2.724 . 0 0 "[ . 1 . 2]" 2
982 1 17 LEU MD1 1 19 ASN QB . . 3.920 3.654 3.505 3.968 0.048 12 0 "[ . 1 . 2]" 2
983 1 17 LEU MD1 1 19 ASN QD . . 4.350 3.179 1.913 4.188 . 0 0 "[ . 1 . 2]" 2
984 1 17 LEU MD1 1 21 GLN QB . . 4.120 3.426 3.383 3.487 . 0 0 "[ . 1 . 2]" 2
985 1 17 LEU MD1 1 35 GLU QG . . 4.650 4.327 3.649 4.648 . 0 0 "[ . 1 . 2]" 2
986 1 17 LEU MD2 1 19 ASN QD . . 4.730 3.197 2.445 4.542 . 0 0 "[ . 1 . 2]" 2
987 1 19 ASN H 1 19 ASN QB . . 3.280 2.403 2.188 2.687 . 0 0 "[ . 1 . 2]" 2
988 1 19 ASN HA 1 20 GLY QA . . 4.520 4.195 4.190 4.197 . 0 0 "[ . 1 . 2]" 2
989 1 19 ASN QB 1 21 GLN H . . 4.220 2.760 2.557 3.702 . 0 0 "[ . 1 . 2]" 2
990 1 21 GLN H 1 21 GLN QB . . 3.190 2.549 2.494 2.605 . 0 0 "[ . 1 . 2]" 2
991 1 24 LYS H 1 24 LYS QG . . 3.530 3.232 2.999 3.509 . 0 0 "[ . 1 . 2]" 2
992 1 24 LYS QE 1 24 LYS QG . . 3.470 2.176 2.016 2.383 . 0 0 "[ . 1 . 2]" 2
993 1 24 LYS QG 1 35 GLU QG . . 4.560 3.650 3.279 4.095 . 0 0 "[ . 1 . 2]" 2
994 1 24 LYS HD3 1 28 ASP QB . . 4.070 3.619 3.176 3.880 . 0 0 "[ . 1 . 2]" 2
995 1 25 GLU H 1 25 GLU QB . . 3.370 2.583 2.513 2.628 . 0 0 "[ . 1 . 2]" 2
996 1 25 GLU H 1 28 ASP QB . . 4.030 3.211 3.051 3.391 . 0 0 "[ . 1 . 2]" 2
997 1 25 GLU QB 1 28 ASP QB . . 4.710 2.479 2.177 2.696 . 0 0 "[ . 1 . 2]" 2
998 1 26 PRO HA 1 64 CYS QB . . 3.650 1.969 1.916 1.988 . 0 0 "[ . 1 . 2]" 2
999 1 27 GLY H 1 63 GLU QG . . 4.390 4.133 3.729 4.386 . 0 0 "[ . 1 . 2]" 2
1000 1 27 GLY H 1 64 CYS QB . . 3.620 2.750 2.489 3.001 . 0 0 "[ . 1 . 2]" 2
1001 1 28 ASP H 1 28 ASP QB . . 3.100 2.210 2.120 2.251 . 0 0 "[ . 1 . 2]" 2
1002 1 28 ASP H 1 64 CYS QB . . 4.220 3.986 3.709 4.234 0.014 20 0 "[ . 1 . 2]" 2
1003 1 28 ASP QB 1 29 SER H . . 3.350 2.797 2.492 3.194 . 0 0 "[ . 1 . 2]" 2
1004 1 31 SER QB 1 32 LYS H . . 3.190 2.823 2.733 2.887 . 0 0 "[ . 1 . 2]" 2
1005 1 31 SER QB 1 32 LYS QG . . 3.960 2.927 2.557 3.075 . 0 0 "[ . 1 . 2]" 2
1006 1 32 LYS H 1 35 GLU QG . . 4.030 1.947 1.880 2.037 . 0 0 "[ . 1 . 2]" 2
1007 1 33 ARG HA 1 36 CYS QB . . 4.310 3.353 3.238 3.540 . 0 0 "[ . 1 . 2]" 2
1008 1 33 ARG QB 1 33 ARG HE . . 4.790 3.386 1.999 4.206 . 0 0 "[ . 1 . 2]" 2
1009 1 33 ARG QB 1 34 ASP H . . 3.670 2.758 2.731 2.814 . 0 0 "[ . 1 . 2]" 2
1010 1 33 ARG QG 1 48 GLY QA . . 3.660 2.985 2.870 3.061 . 0 0 "[ . 1 . 2]" 2
1011 1 34 ASP H 1 34 ASP QB . . 3.050 2.320 2.158 2.652 . 0 0 "[ . 1 . 2]" 2
1012 1 34 ASP QB 1 35 GLU H . . 4.140 3.013 2.908 3.628 . 0 0 "[ . 1 . 2]" 2
1013 1 35 GLU H 1 35 GLU QG . . 2.960 2.180 2.076 2.361 . 0 0 "[ . 1 . 2]" 2
1014 1 35 GLU H 1 36 CYS QB . . 4.840 4.325 4.302 4.394 . 0 0 "[ . 1 . 2]" 2
1015 1 35 GLU HA 1 35 GLU QG . . 3.530 2.841 2.327 3.092 . 0 0 "[ . 1 . 2]" 2
1016 1 36 CYS H 1 36 CYS QB . . 3.080 2.159 2.124 2.259 . 0 0 "[ . 1 . 2]" 2
1017 1 36 CYS QB 1 37 CYS H . . 4.040 3.725 3.603 3.853 . 0 0 "[ . 1 . 2]" 2
1018 1 36 CYS QB 1 64 CYS HA . . 4.510 4.040 3.558 4.202 . 0 0 "[ . 1 . 2]" 2
1019 1 38 LYS HA 1 38 LYS QG . . 3.280 2.546 2.450 2.704 . 0 0 "[ . 1 . 2]" 2
1020 1 41 ASP H 1 41 ASP QB . . 2.750 2.427 2.345 2.488 . 0 0 "[ . 1 . 2]" 2
1021 1 41 ASP QB 1 42 GLN H . . 4.010 3.953 3.915 3.977 . 0 0 "[ . 1 . 2]" 2
1022 1 41 ASP QB 1 43 LYS H . . 4.670 4.398 4.368 4.432 . 0 0 "[ . 1 . 2]" 2
1023 1 41 ASP QB 1 44 THR H . . 4.340 3.468 3.397 3.543 . 0 0 "[ . 1 . 2]" 2
1024 1 41 ASP QB 1 45 TYR QD . . 3.910 2.815 2.676 2.968 . 0 0 "[ . 1 . 2]" 2
1025 1 41 ASP QB 1 45 TYR QE . . 4.560 2.559 2.481 2.698 . 0 0 "[ . 1 . 2]" 2
1026 1 42 GLN H 1 42 GLN QG . . 3.080 2.221 2.009 2.439 . 0 0 "[ . 1 . 2]" 2
1027 1 42 GLN QG 1 43 LYS H . . 4.160 2.233 2.023 2.412 . 0 0 "[ . 1 . 2]" 2
1028 1 42 GLN QG 1 43 LYS HA . . 4.590 3.342 3.035 3.621 . 0 0 "[ . 1 . 2]" 2
1029 1 43 LYS H 1 43 LYS QG . . 3.520 2.126 1.939 2.337 . 0 0 "[ . 1 . 2]" 2
1030 1 43 LYS H 1 43 LYS QD . . 4.290 3.166 2.146 3.476 . 0 0 "[ . 1 . 2]" 2
1031 1 43 LYS HA 1 43 LYS QG . . 3.260 2.628 2.413 3.011 . 0 0 "[ . 1 . 2]" 2
1032 1 43 LYS HA 1 43 LYS QD . . 4.640 3.510 2.157 4.126 . 0 0 "[ . 1 . 2]" 2
1033 1 43 LYS QG 1 44 THR H . . 4.320 4.167 4.011 4.297 . 0 0 "[ . 1 . 2]" 2
1034 1 48 GLY QA 1 49 CYS H . . 2.920 2.222 2.221 2.223 . 0 0 "[ . 1 . 2]" 2
1035 1 48 GLY QA 1 65 TYR H . . 4.700 4.254 4.114 4.392 . 0 0 "[ . 1 . 2]" 2
1036 1 50 ALA MB 1 51 GLN QG . . 4.180 3.799 3.158 4.091 . 0 0 "[ . 1 . 2]" 2
1037 1 51 GLN H 1 51 GLN QB . . 3.020 2.545 2.383 2.600 . 0 0 "[ . 1 . 2]" 2
1038 1 51 GLN H 1 51 GLN QG . . 4.000 1.979 1.928 2.305 . 0 0 "[ . 1 . 2]" 2
1039 1 51 GLN H 1 62 ARG QG . . 5.090 2.632 2.172 3.604 . 0 0 "[ . 1 . 2]" 2
1040 1 51 GLN H 1 62 ARG QD . . 4.880 3.674 2.075 4.525 . 0 0 "[ . 1 . 2]" 2
1041 1 51 GLN QB 1 52 THR H . . 3.700 2.902 2.787 2.964 . 0 0 "[ . 1 . 2]" 2
1042 1 51 GLN QB 1 60 PHE HB2 . . 4.480 4.221 3.799 4.480 . 0 0 "[ . 1 . 2]" 2
1043 1 51 GLN QB 1 60 PHE HB3 . . 4.230 2.585 2.147 2.847 . 0 0 "[ . 1 . 2]" 2
1044 1 51 GLN QB 1 60 PHE QD . . 5.070 3.154 2.967 3.347 . 0 0 "[ . 1 . 2]" 2
1045 1 51 GLN QB 1 61 VAL H . . 4.120 3.779 3.632 4.040 . 0 0 "[ . 1 . 2]" 2
1046 1 51 GLN QG 1 60 PHE HB3 . . 4.210 4.001 3.646 4.215 0.005 1 0 "[ . 1 . 2]" 2
1047 1 51 GLN QG 1 62 ARG QG . . 4.390 2.394 1.731 4.205 . 0 0 "[ . 1 . 2]" 2
1048 1 51 GLN QG 1 62 ARG QD . . 4.100 3.199 2.006 4.102 0.002 4 0 "[ . 1 . 2]" 2
1049 1 52 THR H 1 62 ARG QG . . 4.880 4.447 4.134 4.872 . 0 0 "[ . 1 . 2]" 2
1050 1 52 THR HB 1 63 GLU QG . . 5.150 3.912 3.577 4.133 . 0 0 "[ . 1 . 2]" 2
1051 1 52 THR MG 1 63 GLU QG . . 3.610 2.621 2.034 2.941 . 0 0 "[ . 1 . 2]" 2
1052 1 55 ALA MB 1 56 MET QG . . 4.430 3.401 3.216 3.557 . 0 0 "[ . 1 . 2]" 2
1053 1 56 MET H 1 56 MET QG . . 3.310 2.557 2.433 2.659 . 0 0 "[ . 1 . 2]" 2
1054 1 56 MET HA 1 56 MET QG . . 3.220 2.413 2.219 2.697 . 0 0 "[ . 1 . 2]" 2
1055 1 56 MET QG 1 57 GLU H . . 4.560 4.146 4.050 4.202 . 0 0 "[ . 1 . 2]" 2
1056 1 58 GLY H 1 59 GLY QA . . 5.120 4.515 4.488 4.534 . 0 0 "[ . 1 . 2]" 2
1057 1 59 GLY QA 1 60 PHE H . . 2.710 2.169 2.156 2.209 . 0 0 "[ . 1 . 2]" 2
1058 1 62 ARG H 1 62 ARG QG . . 3.710 2.402 2.187 3.303 . 0 0 "[ . 1 . 2]" 2
1059 1 62 ARG H 1 62 ARG QD . . 4.440 3.574 1.960 4.295 . 0 0 "[ . 1 . 2]" 2
1060 1 63 GLU H 1 63 GLU QG . . 4.310 2.131 1.984 2.299 . 0 0 "[ . 1 . 2]" 2
1061 1 64 CYS H 1 64 CYS QB . . 3.250 2.172 2.107 2.255 . 0 0 "[ . 1 . 2]" 2
1062 1 64 CYS QB 1 65 TYR H . . 3.900 3.202 2.746 3.675 . 0 0 "[ . 1 . 2]" 2
1063 1 68 ALA MB 1 71 SER QB . . 3.460 1.887 1.783 1.975 . 0 0 "[ . 1 . 2]" 2
1064 1 70 GLU H 1 70 GLU QB . . 3.420 2.670 2.628 2.763 . 0 0 "[ . 1 . 2]" 2
1065 1 70 GLU QB 1 71 SER H . . 3.520 3.374 2.704 3.463 . 0 0 "[ . 1 . 2]" 2
1066 1 70 GLU QB 1 71 SER HA . . 4.550 4.288 3.952 4.384 . 0 0 "[ . 1 . 2]" 2
1067 1 71 SER H 1 71 SER QB . . 2.950 2.325 2.208 2.813 . 0 0 "[ . 1 . 2]" 2
1068 1 71 SER QB 1 72 SER H . . 4.270 3.699 3.154 4.055 . 0 0 "[ . 1 . 2]" 2
1069 1 71 SER QB 1 74 CYS H . . 4.810 3.481 2.995 4.109 . 0 0 "[ . 1 . 2]" 2
1070 1 72 SER H 1 72 SER QB . . 2.830 2.268 2.168 2.813 . 0 0 "[ . 1 . 2]" 2
1071 1 72 SER HA 1 72 SER QB . . 2.530 2.409 2.168 2.501 . 0 0 "[ . 1 . 2]" 2
1072 1 72 SER QB 1 73 MET H . . 3.300 2.799 2.669 3.293 . 0 0 "[ . 1 . 2]" 2
1073 1 73 MET H 1 73 MET QG . . 3.700 2.605 1.951 3.343 . 0 0 "[ . 1 . 2]" 2
1074 1 73 MET QB 1 74 CYS H . . 3.930 3.400 2.699 3.900 . 0 0 "[ . 1 . 2]" 2
1075 1 73 MET QG 1 74 CYS H . . 4.730 4.017 2.187 4.714 . 0 0 "[ . 1 . 2]" 2
1076 1 74 CYS H 1 74 CYS QB . . 3.330 2.447 2.251 3.365 0.035 15 0 "[ . 1 . 2]" 2
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