NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
646062 |
6ohx   |
30598 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6ohx
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 1171
_Distance_constraint_stats_list.Viol_count 1048
_Distance_constraint_stats_list.Viol_total 258.740
_Distance_constraint_stats_list.Viol_max 0.082
_Distance_constraint_stats_list.Viol_rms 0.0038
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0123
_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 2 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLU 0.113 0.017 18 0 "[ . 1 . 2]"
1 4 VAL 0.180 0.017 18 0 "[ . 1 . 2]"
1 5 ARG 0.061 0.011 8 0 "[ . 1 . 2]"
1 6 ASP 0.054 0.009 18 0 "[ . 1 . 2]"
1 7 ALA 0.210 0.013 14 0 "[ . 1 . 2]"
1 8 TYR 0.150 0.010 18 0 "[ . 1 . 2]"
1 9 ILE 0.402 0.021 9 0 "[ . 1 . 2]"
1 10 ALA 0.326 0.035 9 0 "[ . 1 . 2]"
1 11 GLN 0.218 0.035 9 0 "[ . 1 . 2]"
1 12 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 HIS 0.520 0.036 15 0 "[ . 1 . 2]"
1 14 ASN 0.254 0.024 20 0 "[ . 1 . 2]"
1 15 CYS 0.507 0.036 15 0 "[ . 1 . 2]"
1 16 VAL 0.106 0.016 13 0 "[ . 1 . 2]"
1 17 TYR 0.170 0.021 20 0 "[ . 1 . 2]"
1 18 HIS 0.054 0.019 9 0 "[ . 1 . 2]"
1 19 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ARG 0.065 0.012 1 0 "[ . 1 . 2]"
1 22 ASP 0.822 0.061 5 0 "[ . 1 . 2]"
1 23 SER 0.118 0.017 1 0 "[ . 1 . 2]"
1 24 TYR 0.672 0.061 5 0 "[ . 1 . 2]"
1 25 CYS 2.104 0.057 5 0 "[ . 1 . 2]"
1 26 ASN 0.103 0.029 6 0 "[ . 1 . 2]"
1 27 ASP 0.807 0.029 6 0 "[ . 1 . 2]"
1 28 LEU 1.760 0.057 5 0 "[ . 1 . 2]"
1 29 CYS 0.595 0.030 6 0 "[ . 1 . 2]"
1 30 ILE 0.701 0.029 6 0 "[ . 1 . 2]"
1 31 LYS 0.043 0.013 6 0 "[ . 1 . 2]"
1 32 HIS 0.110 0.014 6 0 "[ . 1 . 2]"
1 33 GLY 0.061 0.012 6 0 "[ . 1 . 2]"
1 34 ALA 0.328 0.025 20 0 "[ . 1 . 2]"
1 35 GLU 0.356 0.029 19 0 "[ . 1 . 2]"
1 36 SER 0.977 0.082 17 0 "[ . 1 . 2]"
1 37 GLY 1.021 0.042 11 0 "[ . 1 . 2]"
1 38 GLU 0.252 0.017 17 0 "[ . 1 . 2]"
1 39 CYS 0.386 0.038 17 0 "[ . 1 . 2]"
1 40 LYS 0.519 0.038 17 0 "[ . 1 . 2]"
1 41 TRP 0.018 0.004 5 0 "[ . 1 . 2]"
1 43 THR 0.473 0.026 7 0 "[ . 1 . 2]"
1 44 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 SER 0.195 0.061 17 0 "[ . 1 . 2]"
1 46 GLY 0.273 0.061 17 0 "[ . 1 . 2]"
1 47 ASN 0.414 0.026 7 0 "[ . 1 . 2]"
1 48 ALA 0.061 0.008 6 0 "[ . 1 . 2]"
1 49 CYS 0.371 0.031 1 0 "[ . 1 . 2]"
1 50 TRP 0.788 0.048 19 0 "[ . 1 . 2]"
1 51 CYS 0.699 0.042 11 0 "[ . 1 . 2]"
1 52 VAL 2.043 0.082 17 0 "[ . 1 . 2]"
1 53 LYS 1.902 0.058 18 0 "[ . 1 . 2]"
1 54 LEU 0.941 0.037 1 0 "[ . 1 . 2]"
1 55 PRO 0.960 0.058 18 0 "[ . 1 . 2]"
1 56 LYS 0.042 0.009 6 0 "[ . 1 . 2]"
1 57 SER 0.005 0.003 6 0 "[ . 1 . 2]"
1 58 GLU 0.267 0.025 20 0 "[ . 1 . 2]"
1 59 PRO 0.111 0.009 14 0 "[ . 1 . 2]"
1 60 ILE 0.298 0.013 14 0 "[ . 1 . 2]"
1 61 LYS 0.292 0.024 20 0 "[ . 1 . 2]"
1 62 VAL 0.045 0.010 15 0 "[ . 1 . 2]"
1 63 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 CYS 0.050 0.016 13 0 "[ . 1 . 2]"
1 67 HIS 0.001 0.001 5 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 57 SER H 1 57 SER HB2 . . 3.900 2.641 2.197 3.588 . 0 0 "[ . 1 . 2]" 1
2 1 56 LYS H 1 56 LYS HB2 . . 3.630 2.335 2.097 2.661 . 0 0 "[ . 1 . 2]" 1
3 1 26 ASN HA 1 26 ASN HB2 . . 2.880 2.408 2.343 2.522 . 0 0 "[ . 1 . 2]" 1
4 1 3 GLU H 1 3 GLU HB2 . . 4.050 3.946 3.851 4.013 . 0 0 "[ . 1 . 2]" 1
5 1 14 ASN H 1 14 ASN HA . . 2.940 2.281 2.280 2.282 . 0 0 "[ . 1 . 2]" 1
6 1 30 ILE HA 1 34 ALA H . . 3.240 2.639 2.505 2.767 . 0 0 "[ . 1 . 2]" 1
7 1 30 ILE HA 1 30 ILE HG12 . . 3.960 2.784 2.569 3.177 . 0 0 "[ . 1 . 2]" 1
8 1 30 ILE HA 1 30 ILE MG . . 2.750 2.292 2.263 2.360 . 0 0 "[ . 1 . 2]" 1
9 1 30 ILE HB 1 31 LYS H . . 3.910 2.448 2.276 2.673 . 0 0 "[ . 1 . 2]" 1
10 1 30 ILE MG 1 31 LYS H . . 3.700 3.416 3.272 3.581 . 0 0 "[ . 1 . 2]" 1
11 1 30 ILE HA 1 30 ILE HG13 . . 3.960 3.204 2.956 3.731 . 0 0 "[ . 1 . 2]" 1
12 1 30 ILE HG12 1 30 ILE MG . . 3.350 2.588 2.258 3.195 . 0 0 "[ . 1 . 2]" 1
13 1 30 ILE HG13 1 30 ILE MG . . 3.350 2.908 2.229 3.203 . 0 0 "[ . 1 . 2]" 1
14 1 30 ILE HB 1 30 ILE MD . . 3.370 2.574 2.267 3.229 . 0 0 "[ . 1 . 2]" 1
15 1 30 ILE MD 1 30 ILE MG . . 2.400 2.091 2.024 2.156 . 0 0 "[ . 1 . 2]" 1
16 1 30 ILE HA 1 30 ILE MD . . 4.030 3.305 1.958 3.879 . 0 0 "[ . 1 . 2]" 1
17 1 29 CYS HA 1 34 ALA H . . 4.580 4.400 4.271 4.464 . 0 0 "[ . 1 . 2]" 1
18 1 29 CYS HA 1 32 HIS HD2 . . 4.170 3.953 3.783 4.103 . 0 0 "[ . 1 . 2]" 1
19 1 29 CYS HA 1 32 HIS H . . 3.850 3.461 3.376 3.510 . 0 0 "[ . 1 . 2]" 1
20 1 29 CYS HA 1 32 HIS HB3 . . 4.990 4.447 4.222 4.537 . 0 0 "[ . 1 . 2]" 1
21 1 29 CYS HA 1 32 HIS HB2 . . 3.690 2.819 2.639 2.906 . 0 0 "[ . 1 . 2]" 1
22 1 29 CYS HA 1 34 ALA MB . . 3.610 3.345 3.289 3.391 . 0 0 "[ . 1 . 2]" 1
23 1 29 CYS HA 1 54 LEU MD1 . . 3.910 3.635 3.555 3.720 . 0 0 "[ . 1 . 2]" 1
24 1 9 ILE MD 1 29 CYS HA . . 3.950 3.511 3.403 3.767 . 0 0 "[ . 1 . 2]" 1
25 1 29 CYS HB2 1 34 ALA MB . . 4.060 3.338 3.211 3.409 . 0 0 "[ . 1 . 2]" 1
26 1 28 LEU HA 1 28 LEU MD2 . . 4.180 3.927 3.919 3.945 . 0 0 "[ . 1 . 2]" 1
27 1 28 LEU HA 1 28 LEU MD1 . . 4.180 2.170 2.125 2.306 . 0 0 "[ . 1 . 2]" 1
28 1 28 LEU HA 1 28 LEU HG . . 3.680 3.466 3.432 3.487 . 0 0 "[ . 1 . 2]" 1
29 1 28 LEU HB2 1 29 CYS H . . 4.230 4.124 4.109 4.135 . 0 0 "[ . 1 . 2]" 1
30 1 17 TYR QE 1 28 LEU MD2 . . 4.170 3.629 2.747 3.963 . 0 0 "[ . 1 . 2]" 1
31 1 17 TYR QD 1 28 LEU MD2 . . 4.490 2.844 2.107 3.164 . 0 0 "[ . 1 . 2]" 1
32 1 27 ASP HA 1 30 ILE MD . . 3.660 2.502 1.933 3.672 0.012 8 0 "[ . 1 . 2]" 1
33 1 27 ASP HA 1 30 ILE HG12 . . 4.030 3.437 2.116 4.033 0.003 20 0 "[ . 1 . 2]" 1
34 1 27 ASP HA 1 30 ILE HB . . 3.450 3.079 3.008 3.125 . 0 0 "[ . 1 . 2]" 1
35 1 27 ASP HA 1 30 ILE HG13 . . 4.030 2.614 2.509 2.670 . 0 0 "[ . 1 . 2]" 1
36 1 27 ASP HA 1 30 ILE H . . 3.950 3.203 3.141 3.252 . 0 0 "[ . 1 . 2]" 1
37 1 26 ASN HA 1 37 GLY HA2 . . 3.910 3.692 3.654 3.764 . 0 0 "[ . 1 . 2]" 1
38 1 26 ASN HA 1 36 SER HA . . 4.150 3.786 3.710 3.853 . 0 0 "[ . 1 . 2]" 1
39 1 26 ASN HA 1 29 CYS H . . 4.280 3.970 3.924 4.100 . 0 0 "[ . 1 . 2]" 1
40 1 26 ASN HA 1 29 CYS HB2 . . 3.750 3.434 3.333 3.585 . 0 0 "[ . 1 . 2]" 1
41 1 25 CYS HB2 1 26 ASN H . . 4.150 4.039 4.024 4.057 . 0 0 "[ . 1 . 2]" 1
42 1 25 CYS HA 1 28 LEU HG . . 3.590 3.605 3.596 3.613 0.023 4 0 "[ . 1 . 2]" 1
43 1 14 ASN HA 1 14 ASN HD22 . . 4.540 3.423 3.377 3.507 . 0 0 "[ . 1 . 2]" 1
44 1 24 TYR QD 1 25 CYS HA . . 4.840 3.229 2.772 3.871 . 0 0 "[ . 1 . 2]" 1
45 1 14 ASN HA 1 15 CYS H . . 3.250 2.396 2.390 2.402 . 0 0 "[ . 1 . 2]" 1
46 1 23 SER HA 1 26 ASN HB3 . . 3.190 2.577 2.405 2.865 . 0 0 "[ . 1 . 2]" 1
47 1 23 SER HA 1 26 ASN HB2 . . 3.620 3.312 3.042 3.623 0.003 10 0 "[ . 1 . 2]" 1
48 1 23 SER HA 1 26 ASN H . . 3.940 3.695 3.617 3.837 . 0 0 "[ . 1 . 2]" 1
49 1 22 ASP HA 1 39 CYS H . . 3.090 2.525 2.258 2.675 . 0 0 "[ . 1 . 2]" 1
50 1 21 ARG HA 1 21 ARG QG . . 3.750 3.338 3.323 3.344 . 0 0 "[ . 1 . 2]" 1
51 1 21 ARG HB3 1 21 ARG QD . . 3.430 2.596 2.042 3.024 . 0 0 "[ . 1 . 2]" 1
52 1 21 ARG HB2 1 21 ARG QD . . 3.710 2.461 2.266 3.284 . 0 0 "[ . 1 . 2]" 1
53 1 20 PHE HB3 1 21 ARG QG . . 4.390 3.237 2.455 4.030 . 0 0 "[ . 1 . 2]" 1
54 1 20 PHE HB2 1 21 ARG QG . . 4.390 3.511 2.744 4.312 . 0 0 "[ . 1 . 2]" 1
55 1 17 TYR HA 1 18 HIS HB2 . . 4.990 4.560 4.250 4.795 . 0 0 "[ . 1 . 2]" 1
56 1 11 GLN HE21 1 17 TYR HA . . 4.430 2.920 2.804 4.405 . 0 0 "[ . 1 . 2]" 1
57 1 16 VAL HA 1 16 VAL MG1 . . 3.460 2.292 2.180 2.395 . 0 0 "[ . 1 . 2]" 1
58 1 16 VAL HB 1 48 ALA MB . . 3.460 2.395 2.197 2.588 . 0 0 "[ . 1 . 2]" 1
59 1 8 TYR QB 1 48 ALA MB . . 4.100 4.049 3.807 4.108 0.008 6 0 "[ . 1 . 2]" 1
60 1 48 ALA MB 1 49 CYS HB3 . . 4.550 4.519 4.448 4.555 0.005 10 0 "[ . 1 . 2]" 1
61 1 16 VAL MG1 1 48 ALA MB . . 3.580 2.903 2.754 3.039 . 0 0 "[ . 1 . 2]" 1
62 1 16 VAL MG2 1 48 ALA MB . . 3.580 3.099 2.854 3.370 . 0 0 "[ . 1 . 2]" 1
63 1 16 VAL HA 1 16 VAL MG2 . . 3.460 3.189 3.183 3.203 . 0 0 "[ . 1 . 2]" 1
64 1 17 TYR H 1 48 ALA MB . . 4.540 4.425 4.112 4.544 0.004 16 0 "[ . 1 . 2]" 1
65 1 18 HIS HA 1 48 ALA HA . . 3.860 3.717 3.288 3.867 0.007 20 0 "[ . 1 . 2]" 1
66 1 48 ALA HA 1 49 CYS HB2 . . 4.890 4.524 4.514 4.534 . 0 0 "[ . 1 . 2]" 1
67 1 48 ALA HA 1 49 CYS HB3 . . 5.280 4.579 4.566 4.590 . 0 0 "[ . 1 . 2]" 1
68 1 19 CYS H 1 48 ALA HA . . 4.140 3.871 3.581 4.090 . 0 0 "[ . 1 . 2]" 1
69 1 15 CYS HA 1 67 HIS H . . 5.090 4.888 4.361 5.091 0.001 5 0 "[ . 1 . 2]" 1
70 1 14 ASN HA 1 14 ASN HD21 . . 4.500 2.091 1.941 2.443 . 0 0 "[ . 1 . 2]" 1
71 1 54 LEU HA 1 55 PRO HD3 . . 3.230 2.258 2.256 2.262 . 0 0 "[ . 1 . 2]" 1
72 1 34 ALA HA 1 54 LEU HA . . 3.560 3.512 3.470 3.571 0.011 19 0 "[ . 1 . 2]" 1
73 1 54 LEU HA 1 55 PRO HD2 . . 3.120 2.114 2.099 2.124 . 0 0 "[ . 1 . 2]" 1
74 1 54 LEU HA 1 55 PRO HB3 . . 4.880 4.837 4.835 4.839 . 0 0 "[ . 1 . 2]" 1
75 1 54 LEU HA 1 55 PRO HG2 . . 4.350 4.284 4.272 4.292 . 0 0 "[ . 1 . 2]" 1
76 1 54 LEU HA 1 54 LEU MD2 . . 3.940 3.814 3.807 3.825 . 0 0 "[ . 1 . 2]" 1
77 1 34 ALA MB 1 54 LEU HA . . 3.430 2.814 2.700 2.902 . 0 0 "[ . 1 . 2]" 1
78 1 34 ALA H 1 54 LEU HA . . 5.450 5.339 5.256 5.416 . 0 0 "[ . 1 . 2]" 1
79 1 35 GLU H 1 54 LEU HA . . 5.500 4.940 4.906 5.003 . 0 0 "[ . 1 . 2]" 1
80 1 12 PRO HB2 1 13 HIS HA . . 4.360 4.296 4.291 4.300 . 0 0 "[ . 1 . 2]" 1
81 1 12 PRO HA 1 15 CYS H . . 5.500 5.435 5.412 5.468 . 0 0 "[ . 1 . 2]" 1
82 1 12 PRO HA 1 59 PRO HB2 . . 4.740 3.706 3.636 3.818 . 0 0 "[ . 1 . 2]" 1
83 1 13 HIS HA 1 15 CYS H . . 5.500 5.520 5.507 5.536 0.036 15 0 "[ . 1 . 2]" 1
84 1 22 ASP HA 1 25 CYS H . . 4.520 3.488 3.369 3.614 . 0 0 "[ . 1 . 2]" 1
85 1 12 PRO HB3 1 59 PRO HG3 . . 4.460 3.472 3.347 3.697 . 0 0 "[ . 1 . 2]" 1
86 1 12 PRO HA 1 59 PRO HG3 . . 4.710 3.742 3.634 3.979 . 0 0 "[ . 1 . 2]" 1
87 1 11 GLN HA 1 12 PRO HG3 . . 4.850 4.513 4.509 4.524 . 0 0 "[ . 1 . 2]" 1
88 1 11 GLN HA 1 12 PRO HG2 . . 4.850 4.568 4.564 4.581 . 0 0 "[ . 1 . 2]" 1
89 1 11 GLN HA 1 12 PRO HD3 . . 3.400 2.327 2.324 2.335 . 0 0 "[ . 1 . 2]" 1
90 1 11 GLN HA 1 12 PRO HD2 . . 3.680 2.468 2.463 2.485 . 0 0 "[ . 1 . 2]" 1
91 1 11 GLN HB3 1 12 PRO HD3 . . 4.170 3.998 3.929 4.014 . 0 0 "[ . 1 . 2]" 1
92 1 11 GLN HB3 1 12 PRO HD2 . . 3.760 2.985 2.908 3.003 . 0 0 "[ . 1 . 2]" 1
93 1 12 PRO HD3 1 59 PRO HG3 . . 4.630 3.070 2.961 3.153 . 0 0 "[ . 1 . 2]" 1
94 1 11 GLN HB2 1 12 PRO HD2 . . 3.760 1.949 1.939 1.954 . 0 0 "[ . 1 . 2]" 1
95 1 11 GLN HB2 1 12 PRO HD3 . . 4.170 3.405 3.397 3.410 . 0 0 "[ . 1 . 2]" 1
96 1 11 GLN HG3 1 15 CYS HB2 . . 4.360 2.724 2.562 3.033 . 0 0 "[ . 1 . 2]" 1
97 1 11 GLN HG2 1 15 CYS HB2 . . 4.280 3.465 3.272 3.797 . 0 0 "[ . 1 . 2]" 1
98 1 11 GLN HG3 1 12 PRO HD2 . . 4.810 4.204 4.165 4.221 . 0 0 "[ . 1 . 2]" 1
99 1 11 GLN HG3 1 15 CYS HB3 . . 4.850 2.850 2.433 2.964 . 0 0 "[ . 1 . 2]" 1
100 1 11 GLN HG2 1 15 CYS HB3 . . 4.840 2.610 2.541 2.673 . 0 0 "[ . 1 . 2]" 1
101 1 11 GLN H 1 11 GLN HG3 . . 4.230 2.883 2.804 3.560 . 0 0 "[ . 1 . 2]" 1
102 1 10 ALA HA 1 11 GLN HG2 . . 3.980 3.833 3.774 4.015 0.035 9 0 "[ . 1 . 2]" 1
103 1 9 ILE HG12 1 10 ALA HA . . 4.330 3.692 3.661 3.768 . 0 0 "[ . 1 . 2]" 1
104 1 10 ALA HA 1 16 VAL HB . . 5.000 4.669 4.531 4.918 . 0 0 "[ . 1 . 2]" 1
105 1 10 ALA HA 1 16 VAL HA . . 3.460 2.580 2.479 2.792 . 0 0 "[ . 1 . 2]" 1
106 1 9 ILE HA 1 10 ALA HA . . 4.710 4.464 4.434 4.468 . 0 0 "[ . 1 . 2]" 1
107 1 10 ALA HA 1 61 LYS H . . 5.430 4.923 4.791 5.150 . 0 0 "[ . 1 . 2]" 1
108 1 10 ALA HA 1 11 GLN H . . 2.790 2.187 2.171 2.194 . 0 0 "[ . 1 . 2]" 1
109 1 10 ALA MB 1 60 ILE HA . . 3.820 3.032 2.897 3.218 . 0 0 "[ . 1 . 2]" 1
110 1 10 ALA MB 1 16 VAL HA . . 4.230 2.535 2.354 2.679 . 0 0 "[ . 1 . 2]" 1
111 1 10 ALA MB 1 14 ASN HA . . 4.660 4.002 3.942 4.047 . 0 0 "[ . 1 . 2]" 1
112 1 9 ILE HB 1 60 ILE HA . . 4.990 4.983 4.933 5.003 0.013 10 0 "[ . 1 . 2]" 1
113 1 9 ILE HA 1 60 ILE HA . . 3.290 2.527 2.468 2.546 . 0 0 "[ . 1 . 2]" 1
114 1 8 TYR HA 1 9 ILE HA . . 4.430 4.418 4.406 4.438 0.008 8 0 "[ . 1 . 2]" 1
115 1 9 ILE HA 1 17 TYR QE . . 5.500 5.201 4.889 5.429 . 0 0 "[ . 1 . 2]" 1
116 1 9 ILE HA 1 10 ALA H . . 2.850 2.265 2.213 2.270 . 0 0 "[ . 1 . 2]" 1
117 1 9 ILE HA 1 61 LYS H . . 4.100 3.592 3.487 3.790 . 0 0 "[ . 1 . 2]" 1
118 1 9 ILE HB 1 10 ALA H . . 4.240 4.043 4.029 4.134 . 0 0 "[ . 1 . 2]" 1
119 1 9 ILE HB 1 54 LEU MD1 . . 4.090 3.551 3.442 3.611 . 0 0 "[ . 1 . 2]" 1
120 1 9 ILE HA 1 9 ILE HG13 . . 3.300 2.401 2.395 2.407 . 0 0 "[ . 1 . 2]" 1
121 1 9 ILE HA 1 10 ALA MB . . 4.040 3.819 3.769 3.851 . 0 0 "[ . 1 . 2]" 1
122 1 9 ILE HA 1 60 ILE MG . . 3.080 2.874 2.801 3.039 . 0 0 "[ . 1 . 2]" 1
123 1 9 ILE HA 1 9 ILE MD . . 3.950 3.766 3.762 3.769 . 0 0 "[ . 1 . 2]" 1
124 1 54 LEU MD1 1 58 GLU HG2 . . 4.060 4.031 3.879 4.072 0.012 12 0 "[ . 1 . 2]" 1
125 1 51 CYS HB2 1 54 LEU MD1 . . 4.490 2.811 2.534 2.965 . 0 0 "[ . 1 . 2]" 1
126 1 34 ALA HA 1 54 LEU MD1 . . 4.940 3.341 3.245 3.416 . 0 0 "[ . 1 . 2]" 1
127 1 54 LEU H 1 54 LEU MD1 . . 4.510 3.622 3.579 3.673 . 0 0 "[ . 1 . 2]" 1
128 1 52 VAL H 1 54 LEU MD1 . . 5.120 4.032 3.908 4.113 . 0 0 "[ . 1 . 2]" 1
129 1 54 LEU HA 1 54 LEU HG . . 3.670 2.868 2.852 2.883 . 0 0 "[ . 1 . 2]" 1
130 1 54 LEU HG 1 58 GLU H . . 4.380 4.321 4.244 4.356 . 0 0 "[ . 1 . 2]" 1
131 1 54 LEU H 1 54 LEU HG . . 4.810 4.581 4.575 4.586 . 0 0 "[ . 1 . 2]" 1
132 1 54 LEU HG 1 58 GLU HB3 . . 4.200 3.485 3.410 3.574 . 0 0 "[ . 1 . 2]" 1
133 1 54 LEU HG 1 58 GLU HB2 . . 4.200 2.413 2.336 2.477 . 0 0 "[ . 1 . 2]" 1
134 1 54 LEU HG 1 55 PRO HD2 . . 4.830 2.178 2.131 2.254 . 0 0 "[ . 1 . 2]" 1
135 1 54 LEU HG 1 55 PRO HD3 . . 4.460 3.816 3.768 3.883 . 0 0 "[ . 1 . 2]" 1
136 1 34 ALA MB 1 54 LEU HG . . 4.460 4.160 4.144 4.220 . 0 0 "[ . 1 . 2]" 1
137 1 9 ILE HG13 1 54 LEU HG . . 4.530 4.542 4.534 4.549 0.019 17 0 "[ . 1 . 2]" 1
138 1 9 ILE MD 1 54 LEU HG . . 4.130 4.120 4.077 4.137 0.007 18 0 "[ . 1 . 2]" 1
139 1 9 ILE HG12 1 10 ALA MB . . 4.400 4.282 4.266 4.384 . 0 0 "[ . 1 . 2]" 1
140 1 9 ILE HA 1 9 ILE HG12 . . 3.410 2.919 2.905 2.949 . 0 0 "[ . 1 . 2]" 1
141 1 9 ILE HG13 1 17 TYR QE . . 4.440 3.771 3.535 4.009 . 0 0 "[ . 1 . 2]" 1
142 1 9 ILE HG13 1 54 LEU MD1 . . 5.160 4.048 3.987 4.086 . 0 0 "[ . 1 . 2]" 1
143 1 9 ILE MD 1 54 LEU MD1 . . 3.050 2.844 2.630 2.911 . 0 0 "[ . 1 . 2]" 1
144 1 9 ILE MD 1 32 HIS HB3 . . 3.940 3.357 3.230 3.570 . 0 0 "[ . 1 . 2]" 1
145 1 9 ILE MD 1 32 HIS HB2 . . 3.750 3.438 3.342 3.613 . 0 0 "[ . 1 . 2]" 1
146 1 9 ILE MD 1 59 PRO HD2 . . 4.590 3.604 3.390 3.722 . 0 0 "[ . 1 . 2]" 1
147 1 9 ILE MD 1 32 HIS HE1 . . 4.710 2.492 2.353 2.586 . 0 0 "[ . 1 . 2]" 1
148 1 9 ILE MD 1 32 HIS HD2 . . 4.740 4.109 3.996 4.309 . 0 0 "[ . 1 . 2]" 1
149 1 9 ILE MD 1 51 CYS HB2 . . 5.070 3.791 3.686 3.973 . 0 0 "[ . 1 . 2]" 1
150 1 9 ILE MD 1 59 PRO HG2 . . 5.350 3.602 3.430 3.701 . 0 0 "[ . 1 . 2]" 1
151 1 9 ILE HB 1 9 ILE MD . . 3.240 2.412 2.396 2.417 . 0 0 "[ . 1 . 2]" 1
152 1 9 ILE MD 1 9 ILE MG . . 3.090 2.072 2.004 2.087 . 0 0 "[ . 1 . 2]" 1
153 1 8 TYR HA 1 8 TYR QD . . 3.710 2.742 2.515 2.895 . 0 0 "[ . 1 . 2]" 1
154 1 8 TYR HA 1 9 ILE MG . . 4.210 3.959 3.903 3.987 . 0 0 "[ . 1 . 2]" 1
155 1 8 TYR HA 1 48 ALA MB . . 5.390 5.117 4.884 5.243 . 0 0 "[ . 1 . 2]" 1
156 1 8 TYR HA 1 9 ILE HB . . 4.570 4.516 4.493 4.558 . 0 0 "[ . 1 . 2]" 1
157 1 8 TYR QB 1 61 LYS HB2 . . 4.130 3.024 2.670 3.219 . 0 0 "[ . 1 . 2]" 1
158 1 8 TYR QB 1 61 LYS HB3 . . 4.130 3.148 2.868 3.788 . 0 0 "[ . 1 . 2]" 1
159 1 7 ALA MB 1 60 ILE MG . . 2.810 2.497 2.357 2.624 . 0 0 "[ . 1 . 2]" 1
160 1 7 ALA MB 1 60 ILE MD . . 3.240 3.245 3.238 3.253 0.013 14 0 "[ . 1 . 2]" 1
161 1 7 ALA MB 1 60 ILE HB . . 3.260 3.143 3.045 3.256 . 0 0 "[ . 1 . 2]" 1
162 1 5 ARG HD3 1 7 ALA MB . . 3.570 3.428 3.243 3.574 0.004 16 0 "[ . 1 . 2]" 1
163 1 7 ALA MB 1 9 ILE HA . . 4.870 4.509 4.430 4.627 . 0 0 "[ . 1 . 2]" 1
164 1 7 ALA MB 1 60 ILE HA . . 4.690 4.405 4.230 4.510 . 0 0 "[ . 1 . 2]" 1
165 1 7 ALA MB 1 50 TRP HZ3 . . 4.900 4.822 4.624 4.889 . 0 0 "[ . 1 . 2]" 1
166 1 7 ALA MB 1 61 LYS H . . 4.580 4.426 4.251 4.518 . 0 0 "[ . 1 . 2]" 1
167 1 7 ALA MB 1 8 TYR H . . 3.170 2.534 2.407 2.625 . 0 0 "[ . 1 . 2]" 1
168 1 6 ASP HA 1 52 VAL HA . . 3.250 3.112 2.928 3.222 . 0 0 "[ . 1 . 2]" 1
169 1 41 TRP HA 1 47 ASN HA . . 3.480 2.672 2.345 3.147 . 0 0 "[ . 1 . 2]" 1
170 1 6 ASP HB2 1 50 TRP HE1 . . 5.280 4.167 3.063 5.216 . 0 0 "[ . 1 . 2]" 1
171 1 6 ASP HB3 1 50 TRP HE1 . . 5.280 4.332 2.963 4.917 . 0 0 "[ . 1 . 2]" 1
172 1 6 ASP HA 1 53 LYS H . . 3.320 2.868 2.683 3.037 . 0 0 "[ . 1 . 2]" 1
173 1 6 ASP HA 1 7 ALA H . . 2.920 2.144 2.139 2.152 . 0 0 "[ . 1 . 2]" 1
174 1 6 ASP HA 1 50 TRP HZ2 . . 4.610 4.211 3.980 4.515 . 0 0 "[ . 1 . 2]" 1
175 1 6 ASP HB2 1 50 TRP HZ2 . . 3.980 2.172 1.995 2.850 . 0 0 "[ . 1 . 2]" 1
176 1 6 ASP HB3 1 50 TRP HZ2 . . 3.980 3.035 2.014 3.687 . 0 0 "[ . 1 . 2]" 1
177 1 6 ASP HA 1 7 ALA MB . . 4.200 3.973 3.898 4.019 . 0 0 "[ . 1 . 2]" 1
178 1 5 ARG HG2 1 6 ASP HA . . 4.410 4.131 3.996 4.366 . 0 0 "[ . 1 . 2]" 1
179 1 6 ASP HA 1 54 LEU MD2 . . 5.380 5.148 4.936 5.306 . 0 0 "[ . 1 . 2]" 1
180 1 6 ASP HA 1 53 LYS HA . . 4.320 3.731 3.565 3.865 . 0 0 "[ . 1 . 2]" 1
181 1 5 ARG HB3 1 5 ARG HD3 . . 3.930 3.383 3.290 3.472 . 0 0 "[ . 1 . 2]" 1
182 1 5 ARG H 1 5 ARG HG2 . . 4.400 3.650 3.574 3.796 . 0 0 "[ . 1 . 2]" 1
183 1 5 ARG H 1 5 ARG HG3 . . 4.390 4.254 4.138 4.398 0.008 9 0 "[ . 1 . 2]" 1
184 1 5 ARG HD2 1 56 LYS HA . . 4.870 4.205 4.012 4.387 . 0 0 "[ . 1 . 2]" 1
185 1 5 ARG HD3 1 56 LYS HA . . 4.950 4.408 4.215 4.704 . 0 0 "[ . 1 . 2]" 1
186 1 5 ARG HB3 1 5 ARG HD2 . . 3.810 2.342 2.311 2.370 . 0 0 "[ . 1 . 2]" 1
187 1 5 ARG HB2 1 5 ARG HD2 . . 3.910 3.567 3.553 3.579 . 0 0 "[ . 1 . 2]" 1
188 1 5 ARG HB2 1 5 ARG HD3 . . 4.060 3.890 3.865 3.918 . 0 0 "[ . 1 . 2]" 1
189 1 5 ARG HD2 1 7 ALA MB . . 5.010 4.637 4.470 4.798 . 0 0 "[ . 1 . 2]" 1
190 1 5 ARG HG2 1 7 ALA MB . . 4.540 2.611 2.480 2.777 . 0 0 "[ . 1 . 2]" 1
191 1 5 ARG HG3 1 7 ALA MB . . 4.840 3.630 3.509 3.773 . 0 0 "[ . 1 . 2]" 1
192 1 5 ARG HG3 1 60 ILE MG . . 5.120 5.082 4.929 5.131 0.011 8 0 "[ . 1 . 2]" 1
193 1 5 ARG HG3 1 60 ILE MD . . 4.900 4.788 4.697 4.904 0.004 20 0 "[ . 1 . 2]" 1
194 1 5 ARG HG2 1 60 ILE MG . . 4.850 4.693 4.586 4.821 . 0 0 "[ . 1 . 2]" 1
195 1 5 ARG HG2 1 60 ILE MD . . 5.140 5.040 4.932 5.143 0.003 9 0 "[ . 1 . 2]" 1
196 1 4 VAL MG1 1 5 ARG HD2 . . 4.920 4.749 4.644 4.870 . 0 0 "[ . 1 . 2]" 1
197 1 4 VAL MG1 1 5 ARG HD3 . . 5.500 4.960 4.835 5.126 . 0 0 "[ . 1 . 2]" 1
198 1 5 ARG HD3 1 60 ILE MD . . 5.500 4.996 4.830 5.140 . 0 0 "[ . 1 . 2]" 1
199 1 5 ARG HA 1 5 ARG HD2 . . 4.320 3.952 3.856 4.049 . 0 0 "[ . 1 . 2]" 1
200 1 5 ARG HA 1 5 ARG HD3 . . 4.430 4.073 4.022 4.135 . 0 0 "[ . 1 . 2]" 1
201 1 5 ARG H 1 5 ARG HD2 . . 4.710 2.347 2.151 2.618 . 0 0 "[ . 1 . 2]" 1
202 1 4 VAL HB 1 53 LYS H . . 5.050 4.958 4.905 5.019 . 0 0 "[ . 1 . 2]" 1
203 1 4 VAL HB 1 53 LYS HA . . 3.410 2.777 2.704 2.862 . 0 0 "[ . 1 . 2]" 1
204 1 4 VAL HB 1 5 ARG HA . . 4.910 4.180 4.078 4.265 . 0 0 "[ . 1 . 2]" 1
205 1 4 VAL HB 1 53 LYS HB3 . . 4.380 4.269 4.081 4.385 0.005 13 0 "[ . 1 . 2]" 1
206 1 4 VAL HB 1 53 LYS HB2 . . 3.950 2.892 2.655 3.020 . 0 0 "[ . 1 . 2]" 1
207 1 4 VAL HA 1 4 VAL MG1 . . 3.040 2.186 2.119 2.276 . 0 0 "[ . 1 . 2]" 1
208 1 4 VAL HA 1 56 LYS H . . 3.980 3.483 3.358 3.670 . 0 0 "[ . 1 . 2]" 1
209 1 4 VAL MG1 1 53 LYS HA . . 4.420 4.247 4.164 4.327 . 0 0 "[ . 1 . 2]" 1
210 1 3 GLU HG3 1 4 VAL MG1 . . 4.780 4.463 4.203 4.717 . 0 0 "[ . 1 . 2]" 1
211 1 4 VAL MG1 1 55 PRO HB2 . . 4.240 3.691 3.578 3.819 . 0 0 "[ . 1 . 2]" 1
212 1 4 VAL MG1 1 53 LYS HB2 . . 3.630 3.522 3.349 3.631 0.001 10 0 "[ . 1 . 2]" 1
213 1 4 VAL MG2 1 53 LYS HB2 . . 3.340 1.941 1.905 2.045 . 0 0 "[ . 1 . 2]" 1
214 1 4 VAL MG2 1 53 LYS HB3 . . 3.520 3.224 3.149 3.294 . 0 0 "[ . 1 . 2]" 1
215 1 4 VAL MG2 1 53 LYS HG3 . . 4.040 3.822 3.712 3.984 . 0 0 "[ . 1 . 2]" 1
216 1 4 VAL MG1 1 55 PRO HD3 . . 4.610 2.858 2.685 3.095 . 0 0 "[ . 1 . 2]" 1
217 1 4 VAL MG1 1 55 PRO HA . . 3.030 1.954 1.905 2.041 . 0 0 "[ . 1 . 2]" 1
218 1 3 GLU HA 1 4 VAL MG1 . . 4.450 4.061 3.974 4.147 . 0 0 "[ . 1 . 2]" 1
219 1 4 VAL HA 1 4 VAL MG2 . . 3.750 3.192 3.190 3.194 . 0 0 "[ . 1 . 2]" 1
220 1 4 VAL MG2 1 5 ARG HA . . 4.410 3.868 3.719 3.962 . 0 0 "[ . 1 . 2]" 1
221 1 4 VAL MG2 1 5 ARG H . . 4.100 3.665 3.435 3.801 . 0 0 "[ . 1 . 2]" 1
222 1 4 VAL MG2 1 53 LYS H . . 4.960 4.797 4.705 4.950 . 0 0 "[ . 1 . 2]" 1
223 1 4 VAL H 1 4 VAL MG1 . . 3.730 3.286 3.221 3.366 . 0 0 "[ . 1 . 2]" 1
224 1 4 VAL MG1 1 5 ARG H . . 3.820 3.540 3.449 3.605 . 0 0 "[ . 1 . 2]" 1
225 1 3 GLU HB3 1 4 VAL H . . 4.270 4.176 4.142 4.227 . 0 0 "[ . 1 . 2]" 1
226 1 3 GLU HA 1 4 VAL H . . 2.540 2.147 2.138 2.161 . 0 0 "[ . 1 . 2]" 1
227 1 3 GLU HA 1 3 GLU HG2 . . 3.790 3.647 3.611 3.691 . 0 0 "[ . 1 . 2]" 1
228 1 3 GLU HA 1 4 VAL MG2 . . 3.510 3.465 3.429 3.500 . 0 0 "[ . 1 . 2]" 1
229 1 3 GLU HB2 1 4 VAL MG1 . . 5.500 4.906 4.826 4.968 . 0 0 "[ . 1 . 2]" 1
230 1 3 GLU HB2 1 4 VAL MG2 . . 5.500 5.006 4.907 5.086 . 0 0 "[ . 1 . 2]" 1
231 1 3 GLU HB3 1 4 VAL MG1 . . 5.500 5.492 5.455 5.506 0.006 14 0 "[ . 1 . 2]" 1
232 1 3 GLU HB3 1 4 VAL MG2 . . 5.500 5.503 5.492 5.517 0.017 18 0 "[ . 1 . 2]" 1
233 1 2 GLU HA 1 3 GLU HG2 . . 4.120 3.475 3.364 3.612 . 0 0 "[ . 1 . 2]" 1
234 1 3 GLU H 1 3 GLU HG3 . . 4.360 3.396 3.077 3.734 . 0 0 "[ . 1 . 2]" 1
235 1 3 GLU HG2 1 4 VAL H . . 5.270 5.050 4.868 5.192 . 0 0 "[ . 1 . 2]" 1
236 1 3 GLU HG3 1 4 VAL H . . 5.000 4.587 4.451 4.720 . 0 0 "[ . 1 . 2]" 1
237 1 3 GLU HG2 1 4 VAL MG1 . . 4.940 4.822 4.591 4.939 . 0 0 "[ . 1 . 2]" 1
238 1 3 GLU HA 1 3 GLU HG3 . . 3.960 3.854 3.799 3.923 . 0 0 "[ . 1 . 2]" 1
239 1 2 GLU HA 1 2 GLU QG . . 3.470 2.946 2.232 3.460 . 0 0 "[ . 1 . 2]" 1
240 1 2 GLU QG 1 3 GLU H . . 4.830 3.065 1.999 4.136 . 0 0 "[ . 1 . 2]" 1
241 1 30 ILE MG 1 31 LYS HA . . 3.990 3.558 3.415 3.678 . 0 0 "[ . 1 . 2]" 1
242 1 31 LYS HA 1 31 LYS QD . . 3.540 3.351 2.646 3.549 0.009 6 0 "[ . 1 . 2]" 1
243 1 31 LYS HA 1 33 GLY H . . 4.360 4.179 4.084 4.222 . 0 0 "[ . 1 . 2]" 1
244 1 31 LYS HB2 1 32 HIS HD2 . . 4.420 4.191 3.901 4.387 . 0 0 "[ . 1 . 2]" 1
245 1 31 LYS HB3 1 32 HIS HD2 . . 4.420 2.490 2.294 2.695 . 0 0 "[ . 1 . 2]" 1
246 1 28 LEU HA 1 31 LYS HB2 . . 4.190 3.807 3.437 4.196 0.006 6 0 "[ . 1 . 2]" 1
247 1 28 LEU HA 1 31 LYS HB3 . . 4.190 3.669 3.408 3.994 . 0 0 "[ . 1 . 2]" 1
248 1 35 GLU HB2 1 52 VAL MG2 . . 4.360 4.065 3.347 4.380 0.020 20 0 "[ . 1 . 2]" 1
249 1 28 LEU HA 1 31 LYS QD . . 4.870 4.637 4.295 4.827 . 0 0 "[ . 1 . 2]" 1
250 1 31 LYS QD 1 32 HIS HD2 . . 5.150 4.236 2.096 5.152 0.002 20 0 "[ . 1 . 2]" 1
251 1 31 LYS H 1 31 LYS QD . . 4.840 4.160 3.811 4.305 . 0 0 "[ . 1 . 2]" 1
252 1 35 GLU H 1 53 LYS HG2 . . 4.440 2.834 2.651 2.914 . 0 0 "[ . 1 . 2]" 1
253 1 32 HIS HB3 1 54 LEU MD1 . . 4.020 2.933 2.796 3.040 . 0 0 "[ . 1 . 2]" 1
254 1 32 HIS HB3 1 59 PRO HD2 . . 5.500 4.702 4.568 4.887 . 0 0 "[ . 1 . 2]" 1
255 1 32 HIS HB2 1 54 LEU MD1 . . 4.190 3.048 2.978 3.167 . 0 0 "[ . 1 . 2]" 1
256 1 9 ILE MD 1 32 HIS HA . . 5.360 5.035 4.970 5.172 . 0 0 "[ . 1 . 2]" 1
257 1 32 HIS HA 1 54 LEU MD1 . . 5.060 5.000 4.910 5.074 0.014 6 0 "[ . 1 . 2]" 1
258 1 32 HIS HA 1 32 HIS HD2 . . 4.670 3.307 3.212 3.406 . 0 0 "[ . 1 . 2]" 1
259 1 33 GLY HA3 1 55 PRO HG2 . . 4.410 4.376 4.277 4.421 0.011 1 0 "[ . 1 . 2]" 1
260 1 33 GLY HA2 1 54 LEU MD1 . . 5.380 5.277 5.177 5.382 0.002 20 0 "[ . 1 . 2]" 1
261 1 33 GLY HA3 1 54 LEU MD1 . . 4.990 4.564 4.433 4.678 . 0 0 "[ . 1 . 2]" 1
262 1 34 ALA MB 1 51 CYS HB3 . . 3.390 2.673 2.434 2.840 . 0 0 "[ . 1 . 2]" 1
263 1 29 CYS HB3 1 34 ALA MB . . 3.130 1.924 1.877 1.977 . 0 0 "[ . 1 . 2]" 1
264 1 30 ILE HA 1 34 ALA MB . . 4.400 3.743 3.606 3.859 . 0 0 "[ . 1 . 2]" 1
265 1 34 ALA MB 1 55 PRO HD2 . . 4.190 3.574 3.491 3.648 . 0 0 "[ . 1 . 2]" 1
266 1 34 ALA MB 1 54 LEU H . . 4.160 4.067 3.910 4.152 . 0 0 "[ . 1 . 2]" 1
267 1 34 ALA MB 1 54 LEU MD1 . . 3.030 1.809 1.795 1.842 . 0 0 "[ . 1 . 2]" 1
268 1 9 ILE MD 1 34 ALA MB . . 4.840 4.424 4.372 4.536 . 0 0 "[ . 1 . 2]" 1
269 1 34 ALA MB 1 54 LEU MD2 . . 4.340 3.857 3.812 3.934 . 0 0 "[ . 1 . 2]" 1
270 1 34 ALA MB 1 35 GLU HA . . 4.470 4.299 4.222 4.358 . 0 0 "[ . 1 . 2]" 1
271 1 35 GLU HB2 1 52 VAL MG1 . . 4.360 3.019 2.515 3.449 . 0 0 "[ . 1 . 2]" 1
272 1 35 GLU H 1 35 GLU HG2 . . 4.660 4.294 3.528 4.597 . 0 0 "[ . 1 . 2]" 1
273 1 36 SER HB3 1 37 GLY H . . 4.040 3.094 1.967 3.708 . 0 0 "[ . 1 . 2]" 1
274 1 36 SER HB2 1 37 GLY H . . 4.040 2.671 1.951 3.757 . 0 0 "[ . 1 . 2]" 1
275 1 26 ASN HD22 1 36 SER HA . . 5.020 3.648 3.046 4.416 . 0 0 "[ . 1 . 2]" 1
276 1 30 ILE MD 1 36 SER HA . . 3.880 3.452 2.327 3.888 0.008 18 0 "[ . 1 . 2]" 1
277 1 37 GLY HA2 1 51 CYS H . . 4.960 4.981 4.935 5.002 0.042 11 0 "[ . 1 . 2]" 1
278 1 29 CYS HB3 1 37 GLY HA2 . . 5.260 4.408 4.321 4.515 . 0 0 "[ . 1 . 2]" 1
279 1 29 CYS HB2 1 37 GLY HA2 . . 5.470 3.895 3.822 3.972 . 0 0 "[ . 1 . 2]" 1
280 1 29 CYS HB2 1 37 GLY HA3 . . 4.480 2.727 2.593 2.831 . 0 0 "[ . 1 . 2]" 1
281 1 26 ASN HB2 1 37 GLY HA2 . . 5.500 5.399 5.273 5.529 0.029 6 0 "[ . 1 . 2]" 1
282 1 37 GLY HA2 1 51 CYS HB3 . . 5.500 5.160 4.941 5.279 . 0 0 "[ . 1 . 2]" 1
283 1 38 GLU HB3 1 39 CYS H . . 4.250 3.951 3.799 4.115 . 0 0 "[ . 1 . 2]" 1
284 1 58 GLU H 1 58 GLU HG2 . . 4.130 2.458 2.419 2.666 . 0 0 "[ . 1 . 2]" 1
285 1 54 LEU MD2 1 58 GLU HG3 . . 4.830 3.737 3.635 3.826 . 0 0 "[ . 1 . 2]" 1
286 1 54 LEU MD1 1 58 GLU HG3 . . 4.060 2.715 2.570 2.845 . 0 0 "[ . 1 . 2]" 1
287 1 54 LEU HG 1 58 GLU HG3 . . 4.870 3.116 3.023 3.387 . 0 0 "[ . 1 . 2]" 1
288 1 54 LEU HG 1 58 GLU HG2 . . 4.870 4.004 3.925 4.065 . 0 0 "[ . 1 . 2]" 1
289 1 39 CYS HA 1 40 LYS HB2 . . 4.380 4.126 4.092 4.204 . 0 0 "[ . 1 . 2]" 1
290 1 54 LEU MD2 1 58 GLU HG2 . . 4.830 4.745 4.668 4.833 0.003 9 0 "[ . 1 . 2]" 1
291 1 22 ASP HA 1 39 CYS HB2 . . 4.330 3.130 2.904 3.373 . 0 0 "[ . 1 . 2]" 1
292 1 39 CYS HA 1 50 TRP H . . 3.770 3.123 3.083 3.184 . 0 0 "[ . 1 . 2]" 1
293 1 39 CYS HA 1 40 LYS H . . 2.910 2.227 2.143 2.277 . 0 0 "[ . 1 . 2]" 1
294 1 39 CYS HA 1 49 CYS HA . . 3.440 2.713 2.632 2.833 . 0 0 "[ . 1 . 2]" 1
295 1 38 GLU HA 1 39 CYS HA . . 4.540 4.336 4.330 4.344 . 0 0 "[ . 1 . 2]" 1
296 1 25 CYS HB2 1 39 CYS HA . . 4.660 4.123 3.968 4.340 . 0 0 "[ . 1 . 2]" 1
297 1 25 CYS HB3 1 39 CYS HA . . 4.660 4.105 3.994 4.240 . 0 0 "[ . 1 . 2]" 1
298 1 39 CYS HA 1 40 LYS HB3 . . 5.500 5.519 5.503 5.538 0.038 17 0 "[ . 1 . 2]" 1
299 1 41 TRP HA 1 41 TRP HE1 . . 4.720 4.599 4.518 4.682 . 0 0 "[ . 1 . 2]" 1
300 1 50 TRP HB3 1 51 CYS H . . 4.950 4.210 4.138 4.387 . 0 0 "[ . 1 . 2]" 1
301 1 8 TYR QE 1 50 TRP HB3 . . 4.650 4.249 3.803 4.477 . 0 0 "[ . 1 . 2]" 1
302 1 8 TYR QD 1 50 TRP HB3 . . 5.270 5.097 4.821 5.268 . 0 0 "[ . 1 . 2]" 1
303 1 49 CYS HA 1 50 TRP HB3 . . 4.750 4.441 4.410 4.491 . 0 0 "[ . 1 . 2]" 1
304 1 50 TRP HB2 1 50 TRP HZ3 . . 5.050 4.926 4.914 4.952 . 0 0 "[ . 1 . 2]" 1
305 1 38 GLU HG3 1 50 TRP HB2 . . 4.660 4.295 3.928 4.657 . 0 0 "[ . 1 . 2]" 1
306 1 38 GLU HG2 1 50 TRP HB2 . . 4.660 4.234 3.868 4.657 . 0 0 "[ . 1 . 2]" 1
307 1 40 LYS HB3 1 50 TRP HB2 . . 5.280 4.661 4.486 4.807 . 0 0 "[ . 1 . 2]" 1
308 1 43 THR HB 1 44 SER H . . 4.430 3.097 2.604 3.690 . 0 0 "[ . 1 . 2]" 1
309 1 41 TRP HZ2 1 44 SER HA . . 3.790 2.301 2.098 2.627 . 0 0 "[ . 1 . 2]" 1
310 1 41 TRP HH2 1 44 SER HA . . 4.500 4.030 3.862 4.414 . 0 0 "[ . 1 . 2]" 1
311 1 47 ASN HA 1 48 ALA H . . 3.080 2.164 2.142 2.248 . 0 0 "[ . 1 . 2]" 1
312 1 6 ASP HA 1 54 LEU H . . 3.790 2.837 2.579 3.016 . 0 0 "[ . 1 . 2]" 1
313 1 6 ASP HA 1 50 TRP HH2 . . 5.420 5.011 4.732 5.418 . 0 0 "[ . 1 . 2]" 1
314 1 47 ASN HA 1 48 ALA MB . . 3.950 3.919 3.862 3.951 0.001 11 0 "[ . 1 . 2]" 1
315 1 16 VAL HB 1 48 ALA HA . . 4.790 3.308 2.984 3.490 . 0 0 "[ . 1 . 2]" 1
316 1 48 ALA MB 1 50 TRP HB2 . . 4.860 4.719 4.568 4.847 . 0 0 "[ . 1 . 2]" 1
317 1 16 VAL HA 1 48 ALA MB . . 5.030 4.329 4.166 4.437 . 0 0 "[ . 1 . 2]" 1
318 1 41 TRP HA 1 48 ALA MB . . 5.500 4.490 4.163 5.018 . 0 0 "[ . 1 . 2]" 1
319 1 17 TYR H 1 48 ALA HA . . 5.100 4.869 4.614 5.075 . 0 0 "[ . 1 . 2]" 1
320 1 9 ILE MG 1 49 CYS HB3 . . 4.100 2.585 2.359 2.699 . 0 0 "[ . 1 . 2]" 1
321 1 9 ILE MG 1 49 CYS HB2 . . 4.540 3.903 3.674 4.027 . 0 0 "[ . 1 . 2]" 1
322 1 49 CYS HA 1 50 TRP HB2 . . 5.010 4.740 4.685 4.781 . 0 0 "[ . 1 . 2]" 1
323 1 40 LYS H 1 49 CYS HA . . 4.160 3.951 3.837 4.064 . 0 0 "[ . 1 . 2]" 1
324 1 49 CYS HA 1 50 TRP H . . 2.940 2.140 2.138 2.141 . 0 0 "[ . 1 . 2]" 1
325 1 49 CYS HB3 1 50 TRP H . . 4.580 4.339 4.317 4.348 . 0 0 "[ . 1 . 2]" 1
326 1 49 CYS HB2 1 50 TRP H . . 4.830 4.226 4.206 4.237 . 0 0 "[ . 1 . 2]" 1
327 1 51 CYS HB3 1 54 LEU HG . . 4.620 4.258 4.175 4.433 . 0 0 "[ . 1 . 2]" 1
328 1 36 SER H 1 51 CYS HA . . 5.010 4.805 4.695 4.852 . 0 0 "[ . 1 . 2]" 1
329 1 37 GLY HA3 1 51 CYS HA . . 3.610 3.572 3.465 3.621 0.011 12 0 "[ . 1 . 2]" 1
330 1 29 CYS HB3 1 51 CYS HA . . 4.470 3.768 3.659 3.859 . 0 0 "[ . 1 . 2]" 1
331 1 29 CYS HB2 1 51 CYS HA . . 5.040 4.310 4.219 4.371 . 0 0 "[ . 1 . 2]" 1
332 1 29 CYS HB3 1 51 CYS HB3 . . 4.990 3.735 3.336 3.966 . 0 0 "[ . 1 . 2]" 1
333 1 51 CYS HA 1 52 VAL HB . . 4.650 4.583 4.527 4.683 0.033 20 0 "[ . 1 . 2]" 1
334 1 34 ALA MB 1 51 CYS HA . . 4.130 3.707 3.655 3.767 . 0 0 "[ . 1 . 2]" 1
335 1 51 CYS HB3 1 54 LEU MD1 . . 3.860 2.011 1.979 2.051 . 0 0 "[ . 1 . 2]" 1
336 1 51 CYS HB2 1 54 LEU HG . . 4.630 4.505 4.317 4.627 . 0 0 "[ . 1 . 2]" 1
337 1 51 CYS HB2 1 54 LEU HB3 . . 4.600 4.098 4.011 4.183 . 0 0 "[ . 1 . 2]" 1
338 1 34 ALA MB 1 51 CYS HB2 . . 4.350 4.089 3.804 4.269 . 0 0 "[ . 1 . 2]" 1
339 1 51 CYS HB2 1 54 LEU HB2 . . 4.600 2.859 2.668 2.988 . 0 0 "[ . 1 . 2]" 1
340 1 51 CYS HB3 1 54 LEU HB2 . . 4.660 2.554 2.394 2.838 . 0 0 "[ . 1 . 2]" 1
341 1 51 CYS HB3 1 54 LEU MD2 . . 5.050 2.713 2.512 3.001 . 0 0 "[ . 1 . 2]" 1
342 1 37 GLY HA2 1 51 CYS HA . . 3.410 2.733 2.590 2.808 . 0 0 "[ . 1 . 2]" 1
343 1 52 VAL HA 1 52 VAL MG1 . . 3.230 2.930 2.301 3.198 . 0 0 "[ . 1 . 2]" 1
344 1 52 VAL HA 1 53 LYS HG2 . . 4.780 4.462 4.425 4.499 . 0 0 "[ . 1 . 2]" 1
345 1 52 VAL HA 1 53 LYS HG3 . . 5.260 5.045 5.028 5.062 . 0 0 "[ . 1 . 2]" 1
346 1 34 ALA MB 1 52 VAL HB . . 5.160 4.772 3.803 5.175 0.015 6 0 "[ . 1 . 2]" 1
347 1 36 SER H 1 52 VAL HB . . 4.490 3.852 2.447 4.451 . 0 0 "[ . 1 . 2]" 1
348 1 52 VAL HB 1 53 LYS H . . 4.850 3.932 3.888 3.952 . 0 0 "[ . 1 . 2]" 1
349 1 36 SER H 1 52 VAL MG1 . . 4.240 2.546 1.920 4.077 . 0 0 "[ . 1 . 2]" 1
350 1 52 VAL H 1 52 VAL MG1 . . 4.440 2.610 2.074 3.819 . 0 0 "[ . 1 . 2]" 1
351 1 50 TRP HE1 1 52 VAL MG1 . . 4.490 4.214 4.115 4.360 . 0 0 "[ . 1 . 2]" 1
352 1 52 VAL MG2 1 53 LYS H . . 3.970 2.520 1.913 3.893 . 0 0 "[ . 1 . 2]" 1
353 1 52 VAL HA 1 52 VAL MG2 . . 3.230 2.320 2.271 2.413 . 0 0 "[ . 1 . 2]" 1
354 1 4 VAL MG2 1 53 LYS HA . . 3.260 2.968 2.855 3.161 . 0 0 "[ . 1 . 2]" 1
355 1 52 VAL HA 1 53 LYS HA . . 4.440 4.385 4.378 4.390 . 0 0 "[ . 1 . 2]" 1
356 1 4 VAL HA 1 53 LYS HA . . 4.980 4.884 4.794 4.970 . 0 0 "[ . 1 . 2]" 1
357 1 6 ASP H 1 53 LYS HA . . 4.600 3.970 3.464 4.177 . 0 0 "[ . 1 . 2]" 1
358 1 35 GLU H 1 53 LYS HB3 . . 5.080 5.026 4.864 5.089 0.009 3 0 "[ . 1 . 2]" 1
359 1 35 GLU H 1 53 LYS HB2 . . 5.040 5.028 4.957 5.069 0.029 19 0 "[ . 1 . 2]" 1
360 1 53 LYS HE2 1 53 LYS HG3 . . 3.740 2.358 2.010 3.333 . 0 0 "[ . 1 . 2]" 1
361 1 4 VAL MG1 1 53 LYS HG3 . . 4.470 4.178 3.943 4.307 . 0 0 "[ . 1 . 2]" 1
362 1 53 LYS HA 1 53 LYS HG3 . . 3.630 3.645 3.634 3.656 0.026 16 0 "[ . 1 . 2]" 1
363 1 4 VAL MG2 1 53 LYS HG2 . . 4.570 4.464 4.410 4.555 . 0 0 "[ . 1 . 2]" 1
364 1 53 LYS HA 1 53 LYS HG2 . . 4.050 3.884 3.867 3.900 . 0 0 "[ . 1 . 2]" 1
365 1 4 VAL MG2 1 53 LYS HD3 . . 4.430 4.427 4.399 4.437 0.007 17 0 "[ . 1 . 2]" 1
366 1 53 LYS HB3 1 53 LYS HD3 . . 3.670 3.331 3.250 3.417 . 0 0 "[ . 1 . 2]" 1
367 1 4 VAL MG2 1 53 LYS HD2 . . 4.000 2.934 2.882 3.002 . 0 0 "[ . 1 . 2]" 1
368 1 53 LYS HD3 1 53 LYS HG2 . . 2.630 2.221 2.219 2.224 . 0 0 "[ . 1 . 2]" 1
369 1 53 LYS HB3 1 53 LYS HE2 . . 5.070 4.653 4.500 5.020 . 0 0 "[ . 1 . 2]" 1
370 1 4 VAL MG1 1 53 LYS HE2 . . 5.170 4.545 3.998 5.170 0.000 14 0 "[ . 1 . 2]" 1
371 1 4 VAL MG1 1 53 LYS HE3 . . 5.170 3.542 3.102 4.238 . 0 0 "[ . 1 . 2]" 1
372 1 53 LYS HB3 1 53 LYS HE3 . . 5.070 4.409 4.247 4.529 . 0 0 "[ . 1 . 2]" 1
373 1 4 VAL HA 1 55 PRO HA . . 3.700 2.733 2.637 2.853 . 0 0 "[ . 1 . 2]" 1
374 1 4 VAL HB 1 55 PRO HA . . 4.840 3.580 3.444 3.753 . 0 0 "[ . 1 . 2]" 1
375 1 4 VAL MG1 1 55 PRO HB3 . . 3.890 2.527 2.393 2.679 . 0 0 "[ . 1 . 2]" 1
376 1 4 VAL MG1 1 55 PRO HG2 . . 4.730 4.447 4.269 4.668 . 0 0 "[ . 1 . 2]" 1
377 1 54 LEU MD1 1 55 PRO HG2 . . 4.420 3.622 3.601 3.637 . 0 0 "[ . 1 . 2]" 1
378 1 55 PRO HG3 1 56 LYS H . . 5.500 5.466 5.432 5.501 0.001 6 0 "[ . 1 . 2]" 1
379 1 33 GLY HA3 1 55 PRO HG3 . . 4.340 3.140 3.070 3.193 . 0 0 "[ . 1 . 2]" 1
380 1 4 VAL MG1 1 55 PRO HG3 . . 4.460 3.903 3.733 4.107 . 0 0 "[ . 1 . 2]" 1
381 1 54 LEU MD1 1 55 PRO HG3 . . 5.030 4.014 4.002 4.026 . 0 0 "[ . 1 . 2]" 1
382 1 55 PRO HG3 1 58 GLU H . . 4.850 4.526 4.494 4.552 . 0 0 "[ . 1 . 2]" 1
383 1 54 LEU MD1 1 55 PRO HD2 . . 3.340 1.946 1.943 1.951 . 0 0 "[ . 1 . 2]" 1
384 1 54 LEU MD2 1 55 PRO HD2 . . 4.540 3.783 3.751 3.830 . 0 0 "[ . 1 . 2]" 1
385 1 54 LEU MD1 1 55 PRO HD3 . . 3.520 3.085 3.069 3.103 . 0 0 "[ . 1 . 2]" 1
386 1 34 ALA MB 1 55 PRO HD3 . . 4.400 3.728 3.615 3.830 . 0 0 "[ . 1 . 2]" 1
387 1 53 LYS HB2 1 55 PRO HD3 . . 5.500 5.543 5.527 5.558 0.058 18 0 "[ . 1 . 2]" 1
388 1 54 LEU MD2 1 55 PRO HD3 . . 5.500 5.089 5.066 5.126 . 0 0 "[ . 1 . 2]" 1
389 1 34 ALA HA 1 55 PRO HD3 . . 4.010 3.384 3.315 3.450 . 0 0 "[ . 1 . 2]" 1
390 1 34 ALA HA 1 55 PRO HD2 . . 4.610 4.183 4.130 4.234 . 0 0 "[ . 1 . 2]" 1
391 1 34 ALA MB 1 54 LEU HB3 . . 4.920 4.710 4.658 4.764 . 0 0 "[ . 1 . 2]" 1
392 1 51 CYS HB3 1 54 LEU HB3 . . 4.660 4.162 3.998 4.461 . 0 0 "[ . 1 . 2]" 1
393 1 34 ALA MB 1 54 LEU HB2 . . 4.920 3.552 3.499 3.593 . 0 0 "[ . 1 . 2]" 1
394 1 57 SER H 1 57 SER HB3 . . 3.900 3.197 2.251 3.595 . 0 0 "[ . 1 . 2]" 1
395 1 58 GLU HA 1 59 PRO HD2 . . 3.090 2.415 2.402 2.438 . 0 0 "[ . 1 . 2]" 1
396 1 58 GLU HA 1 59 PRO HG2 . . 4.560 4.524 4.513 4.543 . 0 0 "[ . 1 . 2]" 1
397 1 54 LEU MD1 1 58 GLU HB2 . . 4.540 3.528 3.454 3.588 . 0 0 "[ . 1 . 2]" 1
398 1 54 LEU MD1 1 58 GLU HB3 . . 4.540 3.873 3.796 3.932 . 0 0 "[ . 1 . 2]" 1
399 1 58 GLU HB2 1 59 PRO HD2 . . 4.540 3.581 3.573 3.601 . 0 0 "[ . 1 . 2]" 1
400 1 58 GLU HB3 1 59 PRO HD2 . . 4.540 1.982 1.973 1.997 . 0 0 "[ . 1 . 2]" 1
401 1 58 GLU H 1 58 GLU HB3 . . 4.060 3.599 3.577 3.606 . 0 0 "[ . 1 . 2]" 1
402 1 59 PRO HA 1 60 ILE HG12 . . 3.540 3.462 3.444 3.487 . 0 0 "[ . 1 . 2]" 1
403 1 59 PRO HA 1 60 ILE H . . 2.640 2.340 2.325 2.370 . 0 0 "[ . 1 . 2]" 1
404 1 59 PRO HB2 1 60 ILE H . . 4.130 2.772 2.693 2.812 . 0 0 "[ . 1 . 2]" 1
405 1 35 GLU HB3 1 52 VAL MG1 . . 4.360 2.455 1.916 3.584 . 0 0 "[ . 1 . 2]" 1
406 1 35 GLU HB3 1 52 VAL MG2 . . 4.360 3.561 3.085 4.196 . 0 0 "[ . 1 . 2]" 1
407 1 10 ALA MB 1 59 PRO HB3 . . 5.500 5.174 5.128 5.251 . 0 0 "[ . 1 . 2]" 1
408 1 59 PRO HB3 1 60 ILE HG12 . . 5.500 5.500 5.478 5.509 0.009 14 0 "[ . 1 . 2]" 1
409 1 10 ALA MB 1 59 PRO HG2 . . 4.690 4.677 4.642 4.698 0.008 3 0 "[ . 1 . 2]" 1
410 1 10 ALA MB 1 59 PRO HG3 . . 5.500 5.496 5.465 5.508 0.008 15 0 "[ . 1 . 2]" 1
411 1 58 GLU HA 1 59 PRO HD3 . . 3.170 2.303 2.298 2.313 . 0 0 "[ . 1 . 2]" 1
412 1 10 ALA H 1 59 PRO HD2 . . 5.240 5.092 5.037 5.129 . 0 0 "[ . 1 . 2]" 1
413 1 58 GLU H 1 59 PRO HD2 . . 5.500 4.778 4.770 4.783 . 0 0 "[ . 1 . 2]" 1
414 1 58 GLU H 1 59 PRO HD3 . . 5.190 5.061 5.057 5.071 . 0 0 "[ . 1 . 2]" 1
415 1 9 ILE HA 1 60 ILE HB . . 4.680 4.360 4.228 4.478 . 0 0 "[ . 1 . 2]" 1
416 1 60 ILE HA 1 60 ILE MG . . 3.340 2.215 2.164 2.277 . 0 0 "[ . 1 . 2]" 1
417 1 5 ARG HD3 1 60 ILE MG . . 4.300 4.221 4.054 4.304 0.004 15 0 "[ . 1 . 2]" 1
418 1 60 ILE HG13 1 60 ILE MG . . 3.380 3.201 3.197 3.204 . 0 0 "[ . 1 . 2]" 1
419 1 60 ILE HA 1 60 ILE MD . . 4.210 4.160 4.158 4.161 . 0 0 "[ . 1 . 2]" 1
420 1 60 ILE H 1 60 ILE MD . . 4.090 4.043 4.034 4.057 . 0 0 "[ . 1 . 2]" 1
421 1 60 ILE MD 1 61 LYS H . . 4.760 4.647 4.361 4.756 . 0 0 "[ . 1 . 2]" 1
422 1 60 ILE HB 1 60 ILE MD . . 3.320 2.382 2.367 2.402 . 0 0 "[ . 1 . 2]" 1
423 1 60 ILE MD 1 60 ILE MG . . 3.100 1.979 1.921 2.061 . 0 0 "[ . 1 . 2]" 1
424 1 60 ILE HG13 1 61 LYS H . . 4.710 4.145 3.895 4.244 . 0 0 "[ . 1 . 2]" 1
425 1 59 PRO HA 1 60 ILE HG13 . . 4.760 4.744 4.718 4.759 . 0 0 "[ . 1 . 2]" 1
426 1 9 ILE MG 1 11 GLN HA . . 5.500 5.478 5.407 5.521 0.021 9 0 "[ . 1 . 2]" 1
427 1 9 ILE MG 1 10 ALA H . . 4.740 3.553 3.530 3.660 . 0 0 "[ . 1 . 2]" 1
428 1 56 LYS HA 1 58 GLU H . . 4.110 3.926 3.900 3.951 . 0 0 "[ . 1 . 2]" 1
429 1 10 ALA H 1 59 PRO HB2 . . 4.300 3.523 3.428 3.590 . 0 0 "[ . 1 . 2]" 1
430 1 55 PRO HA 1 56 LYS HA . . 4.410 4.334 4.330 4.339 . 0 0 "[ . 1 . 2]" 1
431 1 56 LYS HA 1 56 LYS HG2 . . 3.330 2.479 2.054 2.929 . 0 0 "[ . 1 . 2]" 1
432 1 56 LYS HA 1 56 LYS HG3 . . 3.330 2.931 2.540 3.337 0.007 3 0 "[ . 1 . 2]" 1
433 1 62 VAL HB 1 63 PRO HD2 . . 3.470 1.973 1.972 1.977 . 0 0 "[ . 1 . 2]" 1
434 1 62 VAL HB 1 63 PRO HD3 . . 3.470 3.427 3.426 3.430 . 0 0 "[ . 1 . 2]" 1
435 1 62 VAL HA 1 62 VAL MG2 . . 3.740 3.178 3.172 3.186 . 0 0 "[ . 1 . 2]" 1
436 1 61 LYS HA 1 62 VAL MG2 . . 4.420 3.533 3.465 3.586 . 0 0 "[ . 1 . 2]" 1
437 1 62 VAL MG2 1 63 PRO HD2 . . 5.380 3.668 3.664 3.671 . 0 0 "[ . 1 . 2]" 1
438 1 62 VAL MG2 1 63 PRO HD3 . . 5.380 4.575 4.572 4.580 . 0 0 "[ . 1 . 2]" 1
439 1 62 VAL H 1 62 VAL MG2 . . 3.750 2.021 1.943 2.159 . 0 0 "[ . 1 . 2]" 1
440 1 62 VAL MG1 1 63 PRO HD3 . . 5.380 3.521 3.424 3.592 . 0 0 "[ . 1 . 2]" 1
441 1 62 VAL MG1 1 63 PRO HD2 . . 5.380 2.706 2.644 2.794 . 0 0 "[ . 1 . 2]" 1
442 1 61 LYS HA 1 62 VAL MG1 . . 4.420 4.052 3.950 4.140 . 0 0 "[ . 1 . 2]" 1
443 1 62 VAL HA 1 62 VAL MG1 . . 3.740 2.205 2.085 2.286 . 0 0 "[ . 1 . 2]" 1
444 1 65 LYS HB3 1 66 CYS HA . . 5.010 4.805 4.597 5.002 . 0 0 "[ . 1 . 2]" 1
445 1 65 LYS HA 1 66 CYS HA . . 4.650 4.370 4.332 4.406 . 0 0 "[ . 1 . 2]" 1
446 1 66 CYS HA 1 67 HIS HA . . 4.630 4.371 4.322 4.417 . 0 0 "[ . 1 . 2]" 1
447 1 66 CYS HA 1 67 HIS HD2 . . 4.670 3.963 3.263 4.597 . 0 0 "[ . 1 . 2]" 1
448 1 66 CYS HA 1 67 HIS H . . 2.890 2.188 2.139 2.228 . 0 0 "[ . 1 . 2]" 1
449 1 61 LYS HA 1 62 VAL H . . 2.850 2.159 2.141 2.196 . 0 0 "[ . 1 . 2]" 1
450 1 60 ILE HA 1 61 LYS HA . . 4.620 4.305 4.297 4.311 . 0 0 "[ . 1 . 2]" 1
451 1 61 LYS HA 1 62 VAL HA . . 4.990 4.400 4.391 4.414 . 0 0 "[ . 1 . 2]" 1
452 1 8 TYR QB 1 61 LYS HA . . 5.170 5.129 4.990 5.179 0.009 19 0 "[ . 1 . 2]" 1
453 1 10 ALA MB 1 61 LYS HA . . 3.180 2.240 2.173 2.324 . 0 0 "[ . 1 . 2]" 1
454 1 61 LYS HA 1 61 LYS HG2 . . 4.110 3.527 2.468 3.827 . 0 0 "[ . 1 . 2]" 1
455 1 61 LYS HA 1 61 LYS HG3 . . 4.110 3.243 3.068 3.594 . 0 0 "[ . 1 . 2]" 1
456 1 62 VAL HA 1 63 PRO HD3 . . 3.450 2.312 2.309 2.315 . 0 0 "[ . 1 . 2]" 1
457 1 62 VAL HA 1 63 PRO HD2 . . 3.450 2.433 2.427 2.438 . 0 0 "[ . 1 . 2]" 1
458 1 65 LYS HA 1 66 CYS H . . 3.360 2.173 2.140 2.257 . 0 0 "[ . 1 . 2]" 1
459 1 65 LYS HA 1 65 LYS HG2 . . 3.350 2.502 2.025 3.176 . 0 0 "[ . 1 . 2]" 1
460 1 65 LYS HA 1 65 LYS HG3 . . 3.350 2.768 2.053 3.301 . 0 0 "[ . 1 . 2]" 1
461 1 27 ASP HB3 1 30 ILE HB . . 5.500 4.809 4.481 5.049 . 0 0 "[ . 1 . 2]" 1
462 1 27 ASP HB2 1 30 ILE HB . . 5.500 5.486 5.403 5.529 0.029 6 0 "[ . 1 . 2]" 1
463 1 40 LYS HB3 1 50 TRP HB3 . . 5.500 5.466 5.346 5.513 0.013 2 0 "[ . 1 . 2]" 1
464 1 40 LYS HE2 1 40 LYS HG3 . . 4.100 3.097 2.112 4.085 . 0 0 "[ . 1 . 2]" 1
465 1 40 LYS HE3 1 40 LYS HG2 . . 4.100 3.159 2.047 3.981 . 0 0 "[ . 1 . 2]" 1
466 1 40 LYS HG3 1 50 TRP HB3 . . 5.500 4.387 3.859 5.322 . 0 0 "[ . 1 . 2]" 1
467 1 40 LYS HG2 1 50 TRP HB3 . . 5.500 5.442 4.962 5.515 0.015 19 0 "[ . 1 . 2]" 1
468 1 40 LYS HG2 1 50 TRP HB2 . . 5.500 5.180 4.360 5.405 . 0 0 "[ . 1 . 2]" 1
469 1 40 LYS HG3 1 50 TRP HB2 . . 5.500 4.574 4.090 5.494 . 0 0 "[ . 1 . 2]" 1
470 1 40 LYS HE3 1 40 LYS HG3 . . 4.100 3.337 2.282 3.961 . 0 0 "[ . 1 . 2]" 1
471 1 40 LYS HE2 1 40 LYS HG2 . . 4.100 2.910 2.026 3.521 . 0 0 "[ . 1 . 2]" 1
472 1 40 LYS HE2 1 50 TRP HB2 . . 5.410 4.687 2.577 5.408 . 0 0 "[ . 1 . 2]" 1
473 1 40 LYS HE3 1 50 TRP HB2 . . 5.410 4.382 2.059 5.365 . 0 0 "[ . 1 . 2]" 1
474 1 40 LYS HD2 1 50 TRP HB3 . . 5.120 3.331 2.522 5.042 . 0 0 "[ . 1 . 2]" 1
475 1 40 LYS HD3 1 50 TRP HB3 . . 5.120 3.886 2.396 5.121 0.001 18 0 "[ . 1 . 2]" 1
476 1 16 VAL HA 1 17 TYR QD . . 4.590 4.579 4.429 4.597 0.007 20 0 "[ . 1 . 2]" 1
477 1 60 ILE HG12 1 60 ILE MG . . 3.660 2.339 2.285 2.390 . 0 0 "[ . 1 . 2]" 1
478 1 9 ILE HG13 1 60 ILE HA . . 4.710 3.975 3.889 4.067 . 0 0 "[ . 1 . 2]" 1
479 1 54 LEU HA 1 54 LEU MD1 . . 3.100 2.013 1.982 2.080 . 0 0 "[ . 1 . 2]" 1
480 1 53 LYS HE3 1 53 LYS HG3 . . 3.740 2.631 1.969 2.955 . 0 0 "[ . 1 . 2]" 1
481 1 20 PHE HB2 1 21 ARG H . . 4.360 3.043 2.606 3.763 . 0 0 "[ . 1 . 2]" 1
482 1 27 ASP H 1 27 ASP HB2 . . 3.380 2.155 2.086 2.237 . 0 0 "[ . 1 . 2]" 1
483 1 17 TYR HA 1 18 HIS HB3 . . 4.990 4.718 4.488 4.970 . 0 0 "[ . 1 . 2]" 1
484 1 51 CYS H 1 51 CYS HB2 . . 3.590 2.489 2.404 2.540 . 0 0 "[ . 1 . 2]" 1
485 1 31 LYS H 1 31 LYS HB3 . . 3.210 2.669 2.475 2.872 . 0 0 "[ . 1 . 2]" 1
486 1 51 CYS H 1 51 CYS HB3 . . 3.980 3.675 3.634 3.703 . 0 0 "[ . 1 . 2]" 1
487 1 61 LYS H 1 61 LYS HB3 . . 3.360 2.656 2.448 3.301 . 0 0 "[ . 1 . 2]" 1
488 1 66 CYS H 1 66 CYS HB3 . . 4.050 2.412 2.373 2.572 . 0 0 "[ . 1 . 2]" 1
489 1 24 TYR H 1 24 TYR HB3 . . 3.140 2.632 2.457 2.781 . 0 0 "[ . 1 . 2]" 1
490 1 38 GLU H 1 38 GLU HG3 . . 3.870 3.528 3.117 3.767 . 0 0 "[ . 1 . 2]" 1
491 1 13 HIS H 1 13 HIS HB3 . . 3.610 3.399 2.979 3.593 . 0 0 "[ . 1 . 2]" 1
492 1 49 CYS H 1 49 CYS HB2 . . 3.040 2.993 2.982 3.011 . 0 0 "[ . 1 . 2]" 1
493 1 56 LYS H 1 56 LYS HB3 . . 3.630 3.534 3.403 3.590 . 0 0 "[ . 1 . 2]" 1
494 1 26 ASN HB3 1 27 ASP H . . 2.760 2.318 2.193 2.452 . 0 0 "[ . 1 . 2]" 1
495 1 25 CYS H 1 25 CYS HB2 . . 3.580 2.629 2.604 2.661 . 0 0 "[ . 1 . 2]" 1
496 1 34 ALA H 1 34 ALA MB . . 2.890 2.335 2.316 2.347 . 0 0 "[ . 1 . 2]" 1
497 1 35 GLU H 1 35 GLU HB3 . . 3.510 2.826 2.360 3.317 . 0 0 "[ . 1 . 2]" 1
498 1 60 ILE H 1 60 ILE HB . . 4.000 3.887 3.882 3.893 . 0 0 "[ . 1 . 2]" 1
499 1 10 ALA H 1 10 ALA MB . . 3.250 2.625 2.601 2.666 . 0 0 "[ . 1 . 2]" 1
500 1 50 TRP H 1 50 TRP HB2 . . 3.550 3.017 2.991 3.037 . 0 0 "[ . 1 . 2]" 1
501 1 4 VAL H 1 4 VAL HB . . 4.050 3.834 3.815 3.869 . 0 0 "[ . 1 . 2]" 1
502 1 5 ARG H 1 5 ARG HB2 . . 4.110 3.959 3.899 4.029 . 0 0 "[ . 1 . 2]" 1
503 1 32 HIS H 1 32 HIS HB2 . . 3.170 2.313 2.272 2.335 . 0 0 "[ . 1 . 2]" 1
504 1 26 ASN H 1 26 ASN HB3 . . 3.070 2.461 2.325 2.692 . 0 0 "[ . 1 . 2]" 1
505 1 26 ASN H 1 26 ASN HB2 . . 3.300 2.612 2.380 2.757 . 0 0 "[ . 1 . 2]" 1
506 1 29 CYS H 1 29 CYS HB2 . . 3.060 2.245 2.194 2.297 . 0 0 "[ . 1 . 2]" 1
507 1 15 CYS H 1 15 CYS HB3 . . 3.680 3.615 3.403 3.680 . 0 0 "[ . 1 . 2]" 1
508 1 7 ALA H 1 7 ALA MB . . 3.520 2.652 2.552 2.751 . 0 0 "[ . 1 . 2]" 1
509 1 27 ASP H 1 27 ASP HB3 . . 3.380 3.094 2.928 3.300 . 0 0 "[ . 1 . 2]" 1
510 1 21 ARG H 1 21 ARG HB3 . . 4.000 3.427 3.283 3.536 . 0 0 "[ . 1 . 2]" 1
511 1 22 ASP H 1 22 ASP HB3 . . 3.760 2.839 2.266 3.591 . 0 0 "[ . 1 . 2]" 1
512 1 15 CYS H 1 15 CYS HB2 . . 3.330 3.084 3.042 3.167 . 0 0 "[ . 1 . 2]" 1
513 1 61 LYS H 1 61 LYS HB2 . . 3.360 2.439 2.065 2.595 . 0 0 "[ . 1 . 2]" 1
514 1 65 LYS H 1 65 LYS HB2 . . 3.370 3.073 2.799 3.314 . 0 0 "[ . 1 . 2]" 1
515 1 30 ILE H 1 30 ILE HB . . 2.980 2.613 2.594 2.647 . 0 0 "[ . 1 . 2]" 1
516 1 32 HIS H 1 32 HIS HB3 . . 3.760 3.563 3.543 3.575 . 0 0 "[ . 1 . 2]" 1
517 1 16 VAL HA 1 17 TYR H . . 3.310 2.158 2.148 2.192 . 0 0 "[ . 1 . 2]" 1
518 1 28 LEU H 1 28 LEU HB3 . . 3.070 2.255 2.245 2.276 . 0 0 "[ . 1 . 2]" 1
519 1 5 ARG H 1 5 ARG HB3 . . 3.660 3.122 3.014 3.254 . 0 0 "[ . 1 . 2]" 1
520 1 22 ASP H 1 22 ASP HB2 . . 3.760 2.913 2.285 3.594 . 0 0 "[ . 1 . 2]" 1
521 1 8 TYR H 1 8 TYR QB . . 3.040 2.141 2.113 2.162 . 0 0 "[ . 1 . 2]" 1
522 1 39 CYS H 1 39 CYS HB2 . . 3.100 2.309 2.177 2.385 . 0 0 "[ . 1 . 2]" 1
523 1 24 TYR H 1 24 TYR HB2 . . 3.140 2.457 2.331 2.660 . 0 0 "[ . 1 . 2]" 1
524 1 35 GLU H 1 35 GLU HB2 . . 3.510 2.361 2.063 2.734 . 0 0 "[ . 1 . 2]" 1
525 1 25 CYS H 1 25 CYS HB3 . . 3.580 2.429 2.404 2.453 . 0 0 "[ . 1 . 2]" 1
526 1 28 LEU H 1 28 LEU HB2 . . 3.070 2.781 2.762 2.795 . 0 0 "[ . 1 . 2]" 1
527 1 50 TRP H 1 50 TRP HB3 . . 3.330 2.380 2.340 2.438 . 0 0 "[ . 1 . 2]" 1
528 1 52 VAL H 1 52 VAL HB . . 3.210 2.795 2.535 2.935 . 0 0 "[ . 1 . 2]" 1
529 1 53 LYS H 1 53 LYS HB3 . . 3.380 2.917 2.907 2.925 . 0 0 "[ . 1 . 2]" 1
530 1 66 CYS H 1 66 CYS HB2 . . 4.050 2.727 2.549 2.840 . 0 0 "[ . 1 . 2]" 1
531 1 31 LYS H 1 31 LYS HB2 . . 3.210 2.390 2.221 2.569 . 0 0 "[ . 1 . 2]" 1
532 1 21 ARG H 1 21 ARG HB2 . . 4.130 3.926 3.877 3.972 . 0 0 "[ . 1 . 2]" 1
533 1 3 GLU H 1 3 GLU HB3 . . 3.530 3.520 3.448 3.543 0.013 14 0 "[ . 1 . 2]" 1
534 1 6 ASP H 1 6 ASP HB3 . . 3.820 3.026 2.610 3.653 . 0 0 "[ . 1 . 2]" 1
535 1 9 ILE H 1 9 ILE HB . . 3.320 2.443 2.425 2.462 . 0 0 "[ . 1 . 2]" 1
536 1 6 ASP H 1 6 ASP HB2 . . 3.820 3.396 2.769 3.644 . 0 0 "[ . 1 . 2]" 1
537 1 13 HIS H 1 13 HIS HB2 . . 3.610 2.316 2.286 2.361 . 0 0 "[ . 1 . 2]" 1
538 1 45 SER H 1 45 SER HB2 . . 3.790 3.014 2.399 3.732 . 0 0 "[ . 1 . 2]" 1
539 1 3 GLU H 1 4 VAL MG1 . . 3.820 3.381 3.291 3.463 . 0 0 "[ . 1 . 2]" 1
540 1 3 GLU H 1 4 VAL H . . 4.080 4.064 4.020 4.082 0.002 13 0 "[ . 1 . 2]" 1
541 1 3 GLU H 1 3 GLU HG2 . . 3.480 2.499 2.325 2.642 . 0 0 "[ . 1 . 2]" 1
542 1 2 GLU HA 1 3 GLU H . . 2.770 2.272 2.151 2.361 . 0 0 "[ . 1 . 2]" 1
543 1 4 VAL H 1 4 VAL MG2 . . 2.590 2.206 2.139 2.285 . 0 0 "[ . 1 . 2]" 1
544 1 2 GLU QG 1 4 VAL H . . 5.500 4.897 4.489 5.469 . 0 0 "[ . 1 . 2]" 1
545 1 3 GLU HB2 1 4 VAL H . . 3.580 3.349 3.222 3.490 . 0 0 "[ . 1 . 2]" 1
546 1 5 ARG H 1 53 LYS HA . . 3.870 3.457 3.111 3.717 . 0 0 "[ . 1 . 2]" 1
547 1 5 ARG H 1 5 ARG HD3 . . 3.960 2.276 2.131 2.462 . 0 0 "[ . 1 . 2]" 1
548 1 4 VAL HB 1 5 ARG H . . 2.900 2.482 2.188 2.666 . 0 0 "[ . 1 . 2]" 1
549 1 4 VAL HA 1 5 ARG H . . 2.990 2.364 2.294 2.486 . 0 0 "[ . 1 . 2]" 1
550 1 4 VAL H 1 5 ARG H . . 4.550 4.415 4.375 4.435 . 0 0 "[ . 1 . 2]" 1
551 1 5 ARG H 1 6 ASP H . . 4.670 4.356 4.222 4.419 . 0 0 "[ . 1 . 2]" 1
552 1 5 ARG HA 1 6 ASP H . . 2.850 2.297 2.192 2.379 . 0 0 "[ . 1 . 2]" 1
553 1 5 ARG HD2 1 6 ASP H . . 5.500 5.227 5.001 5.494 . 0 0 "[ . 1 . 2]" 1
554 1 5 ARG HD3 1 6 ASP H . . 5.500 4.680 4.485 4.900 . 0 0 "[ . 1 . 2]" 1
555 1 5 ARG HB3 1 6 ASP H . . 4.280 4.086 3.983 4.243 . 0 0 "[ . 1 . 2]" 1
556 1 5 ARG HB2 1 6 ASP H . . 3.330 2.822 2.640 3.115 . 0 0 "[ . 1 . 2]" 1
557 1 5 ARG HG2 1 6 ASP H . . 3.870 3.413 3.127 3.781 . 0 0 "[ . 1 . 2]" 1
558 1 4 VAL MG2 1 6 ASP H . . 5.500 5.429 5.200 5.505 0.005 13 0 "[ . 1 . 2]" 1
559 1 7 ALA H 1 52 VAL HA . . 4.520 4.295 4.130 4.527 0.007 9 0 "[ . 1 . 2]" 1
560 1 6 ASP HB3 1 7 ALA H . . 4.480 4.119 3.612 4.379 . 0 0 "[ . 1 . 2]" 1
561 1 6 ASP HB2 1 7 ALA H . . 4.480 3.701 3.337 4.212 . 0 0 "[ . 1 . 2]" 1
562 1 10 ALA MB 1 13 HIS H . . 5.500 5.498 5.460 5.515 0.015 14 0 "[ . 1 . 2]" 1
563 1 7 ALA H 1 54 LEU MD1 . . 5.500 5.285 5.000 5.385 . 0 0 "[ . 1 . 2]" 1
564 1 7 ALA H 1 51 CYS H . . 4.370 4.318 4.061 4.383 0.013 20 0 "[ . 1 . 2]" 1
565 1 6 ASP H 1 7 ALA H . . 4.970 4.405 4.317 4.492 . 0 0 "[ . 1 . 2]" 1
566 1 7 ALA H 1 8 TYR H . . 5.360 4.397 4.366 4.430 . 0 0 "[ . 1 . 2]" 1
567 1 5 ARG H 1 53 LYS H . . 5.500 5.280 4.966 5.502 0.002 17 0 "[ . 1 . 2]" 1
568 1 8 TYR H 1 60 ILE MG . . 4.760 4.622 4.558 4.702 . 0 0 "[ . 1 . 2]" 1
569 1 8 TYR H 1 60 ILE HB . . 4.820 4.784 4.684 4.825 0.005 6 0 "[ . 1 . 2]" 1
570 1 7 ALA HA 1 8 TYR H . . 3.090 2.395 2.328 2.447 . 0 0 "[ . 1 . 2]" 1
571 1 8 TYR H 1 50 TRP HZ3 . . 4.370 3.652 3.260 3.957 . 0 0 "[ . 1 . 2]" 1
572 1 8 TYR H 1 8 TYR QD . . 3.320 3.049 2.868 3.292 . 0 0 "[ . 1 . 2]" 1
573 1 8 TYR H 1 50 TRP HH2 . . 5.500 5.035 4.586 5.345 . 0 0 "[ . 1 . 2]" 1
574 1 8 TYR QB 1 9 ILE H . . 3.750 3.583 3.527 3.664 . 0 0 "[ . 1 . 2]" 1
575 1 9 ILE H 1 49 CYS HB3 . . 5.310 5.151 4.804 5.314 0.004 6 0 "[ . 1 . 2]" 1
576 1 8 TYR HA 1 9 ILE H . . 3.030 2.150 2.143 2.164 . 0 0 "[ . 1 . 2]" 1
577 1 9 ILE H 1 50 TRP HA . . 4.500 3.138 3.077 3.239 . 0 0 "[ . 1 . 2]" 1
578 1 9 ILE H 1 9 ILE MD . . 4.420 4.349 4.343 4.383 . 0 0 "[ . 1 . 2]" 1
579 1 9 ILE H 1 9 ILE MG . . 2.920 2.376 2.294 2.407 . 0 0 "[ . 1 . 2]" 1
580 1 9 ILE H 1 9 ILE HG13 . . 4.540 4.367 4.352 4.383 . 0 0 "[ . 1 . 2]" 1
581 1 9 ILE H 1 54 LEU MD1 . . 5.460 5.314 5.137 5.396 . 0 0 "[ . 1 . 2]" 1
582 1 9 ILE H 1 9 ILE HG12 . . 4.760 4.525 4.521 4.530 . 0 0 "[ . 1 . 2]" 1
583 1 10 ALA H 1 60 ILE MG . . 4.320 4.004 3.926 4.157 . 0 0 "[ . 1 . 2]" 1
584 1 9 ILE MD 1 10 ALA H . . 4.000 3.831 3.815 4.009 0.009 20 0 "[ . 1 . 2]" 1
585 1 9 ILE HG12 1 10 ALA H . . 3.250 2.208 2.177 2.431 . 0 0 "[ . 1 . 2]" 1
586 1 9 ILE HG13 1 10 ALA H . . 3.380 2.717 2.663 2.874 . 0 0 "[ . 1 . 2]" 1
587 1 10 ALA H 1 59 PRO HG2 . . 4.710 3.307 3.222 3.377 . 0 0 "[ . 1 . 2]" 1
588 1 10 ALA H 1 16 VAL HA . . 5.500 5.313 5.179 5.407 . 0 0 "[ . 1 . 2]" 1
589 1 10 ALA H 1 59 PRO HA . . 5.500 5.249 5.167 5.300 . 0 0 "[ . 1 . 2]" 1
590 1 10 ALA H 1 60 ILE HA . . 3.310 2.687 2.537 2.822 . 0 0 "[ . 1 . 2]" 1
591 1 9 ILE H 1 51 CYS H . . 4.380 3.019 2.832 3.204 . 0 0 "[ . 1 . 2]" 1
592 1 8 TYR H 1 9 ILE H . . 4.750 4.373 4.328 4.407 . 0 0 "[ . 1 . 2]" 1
593 1 9 ILE H 1 10 ALA H . . 4.650 4.630 4.614 4.634 . 0 0 "[ . 1 . 2]" 1
594 1 8 TYR QD 1 9 ILE H . . 4.390 3.796 3.585 3.975 . 0 0 "[ . 1 . 2]" 1
595 1 10 ALA H 1 11 GLN H . . 4.700 4.268 4.216 4.310 . 0 0 "[ . 1 . 2]" 1
596 1 11 GLN H 1 15 CYS H . . 4.170 3.849 3.808 3.922 . 0 0 "[ . 1 . 2]" 1
597 1 10 ALA H 1 17 TYR QE . . 4.860 3.674 3.487 3.887 . 0 0 "[ . 1 . 2]" 1
598 1 11 GLN H 1 16 VAL HA . . 4.420 3.445 3.261 3.841 . 0 0 "[ . 1 . 2]" 1
599 1 11 GLN H 1 17 TYR HA . . 4.850 3.660 3.441 3.839 . 0 0 "[ . 1 . 2]" 1
600 1 11 GLN H 1 15 CYS HB3 . . 4.510 4.321 4.169 4.388 . 0 0 "[ . 1 . 2]" 1
601 1 11 GLN H 1 15 CYS HB2 . . 5.500 5.078 4.932 5.329 . 0 0 "[ . 1 . 2]" 1
602 1 11 GLN H 1 59 PRO HG2 . . 5.500 5.307 5.211 5.383 . 0 0 "[ . 1 . 2]" 1
603 1 11 GLN H 1 11 GLN HG2 . . 3.270 1.953 1.907 2.242 . 0 0 "[ . 1 . 2]" 1
604 1 10 ALA MB 1 11 GLN H . . 3.120 2.981 2.940 3.029 . 0 0 "[ . 1 . 2]" 1
605 1 13 HIS H 1 14 ASN H . . 4.490 2.924 2.904 2.933 . 0 0 "[ . 1 . 2]" 1
606 1 13 HIS HA 1 14 ASN H . . 3.200 2.887 2.882 2.903 . 0 0 "[ . 1 . 2]" 1
607 1 12 PRO HB2 1 13 HIS H . . 4.190 3.785 3.768 3.802 . 0 0 "[ . 1 . 2]" 1
608 1 12 PRO HB2 1 14 ASN H . . 5.080 4.894 4.879 4.902 . 0 0 "[ . 1 . 2]" 1
609 1 10 ALA MB 1 14 ASN H . . 4.930 4.805 4.767 4.822 . 0 0 "[ . 1 . 2]" 1
610 1 11 GLN HG2 1 15 CYS H . . 4.110 3.463 2.553 3.631 . 0 0 "[ . 1 . 2]" 1
611 1 10 ALA MB 1 15 CYS H . . 3.330 2.808 2.713 2.959 . 0 0 "[ . 1 . 2]" 1
612 1 11 GLN HG3 1 15 CYS H . . 4.190 2.582 2.457 3.848 . 0 0 "[ . 1 . 2]" 1
613 1 15 CYS H 1 16 VAL HA . . 4.770 4.637 4.621 4.648 . 0 0 "[ . 1 . 2]" 1
614 1 10 ALA HA 1 15 CYS H . . 4.700 4.703 4.652 4.715 0.015 18 0 "[ . 1 . 2]" 1
615 1 14 ASN H 1 15 CYS H . . 3.320 3.218 3.205 3.234 . 0 0 "[ . 1 . 2]" 1
616 1 15 CYS HB3 1 16 VAL H . . 3.790 2.857 2.676 3.266 . 0 0 "[ . 1 . 2]" 1
617 1 15 CYS HB2 1 16 VAL H . . 4.520 4.029 3.964 4.115 . 0 0 "[ . 1 . 2]" 1
618 1 15 CYS HA 1 16 VAL H . . 3.040 2.397 2.330 2.438 . 0 0 "[ . 1 . 2]" 1
619 1 16 VAL H 1 17 TYR H . . 4.780 4.512 4.485 4.569 . 0 0 "[ . 1 . 2]" 1
620 1 16 VAL HB 1 17 TYR H . . 3.290 3.213 3.021 3.295 0.005 17 0 "[ . 1 . 2]" 1
621 1 10 ALA HA 1 17 TYR H . . 4.720 2.360 2.192 2.584 . 0 0 "[ . 1 . 2]" 1
622 1 17 TYR H 1 18 HIS H . . 4.680 4.375 4.251 4.541 . 0 0 "[ . 1 . 2]" 1
623 1 18 HIS H 1 18 HIS HD2 . . 4.980 4.898 4.669 4.990 0.010 19 0 "[ . 1 . 2]" 1
624 1 11 GLN HE22 1 18 HIS H . . 4.640 4.302 2.937 4.626 . 0 0 "[ . 1 . 2]" 1
625 1 11 GLN HE21 1 18 HIS H . . 4.640 3.442 3.112 4.659 0.019 9 0 "[ . 1 . 2]" 1
626 1 17 TYR HA 1 18 HIS H . . 2.880 2.159 2.138 2.197 . 0 0 "[ . 1 . 2]" 1
627 1 18 HIS H 1 18 HIS HB2 . . 3.450 2.545 2.278 2.765 . 0 0 "[ . 1 . 2]" 1
628 1 18 HIS H 1 18 HIS HB3 . . 3.450 2.596 2.384 2.860 . 0 0 "[ . 1 . 2]" 1
629 1 20 PHE HB3 1 21 ARG H . . 4.360 3.244 2.581 3.624 . 0 0 "[ . 1 . 2]" 1
630 1 19 CYS QB 1 20 PHE H . . 4.550 2.975 2.899 3.020 . 0 0 "[ . 1 . 2]" 1
631 1 19 CYS HA 1 21 ARG H . . 4.390 4.066 3.986 4.177 . 0 0 "[ . 1 . 2]" 1
632 1 20 PHE H 1 21 ARG H . . 3.720 2.524 2.390 2.666 . 0 0 "[ . 1 . 2]" 1
633 1 21 ARG H 1 21 ARG QG . . 3.580 2.475 2.361 2.584 . 0 0 "[ . 1 . 2]" 1
634 1 21 ARG HA 1 22 ASP H . . 3.020 2.425 2.371 2.522 . 0 0 "[ . 1 . 2]" 1
635 1 21 ARG QD 1 22 ASP H . . 4.920 4.421 4.122 4.919 . 0 0 "[ . 1 . 2]" 1
636 1 21 ARG QG 1 22 ASP H . . 4.230 3.585 3.159 3.865 . 0 0 "[ . 1 . 2]" 1
637 1 21 ARG HB3 1 22 ASP H . . 4.230 3.714 3.560 3.853 . 0 0 "[ . 1 . 2]" 1
638 1 21 ARG HB2 1 22 ASP H . . 4.220 2.394 2.237 2.502 . 0 0 "[ . 1 . 2]" 1
639 1 21 ARG HA 1 23 SER H . . 4.600 4.394 4.258 4.600 0.000 20 0 "[ . 1 . 2]" 1
640 1 22 ASP H 1 23 SER H . . 4.200 2.803 2.719 2.867 . 0 0 "[ . 1 . 2]" 1
641 1 21 ARG QD 1 23 SER H . . 4.840 3.415 2.935 4.269 . 0 0 "[ . 1 . 2]" 1
642 1 22 ASP HB2 1 23 SER H . . 3.970 3.472 2.719 3.987 0.017 1 0 "[ . 1 . 2]" 1
643 1 22 ASP HB3 1 23 SER H . . 3.970 3.430 2.464 3.855 . 0 0 "[ . 1 . 2]" 1
644 1 21 ARG HB2 1 23 SER H . . 3.800 2.945 2.696 3.257 . 0 0 "[ . 1 . 2]" 1
645 1 21 ARG QG 1 23 SER H . . 4.360 2.511 1.935 2.969 . 0 0 "[ . 1 . 2]" 1
646 1 22 ASP HB2 1 24 TYR H . . 5.500 5.338 5.058 5.533 0.033 19 0 "[ . 1 . 2]" 1
647 1 22 ASP HB3 1 24 TYR H . . 5.500 5.339 4.823 5.561 0.061 5 0 "[ . 1 . 2]" 1
648 1 21 ARG QG 1 24 TYR H . . 3.640 2.166 1.993 2.372 . 0 0 "[ . 1 . 2]" 1
649 1 24 TYR H 1 25 CYS HA . . 5.380 5.319 5.246 5.376 . 0 0 "[ . 1 . 2]" 1
650 1 24 TYR H 1 24 TYR QD . . 4.220 4.173 4.106 4.210 . 0 0 "[ . 1 . 2]" 1
651 1 24 TYR H 1 25 CYS H . . 3.240 2.753 2.666 2.824 . 0 0 "[ . 1 . 2]" 1
652 1 22 ASP H 1 24 TYR H . . 4.550 4.228 4.135 4.315 . 0 0 "[ . 1 . 2]" 1
653 1 23 SER H 1 24 TYR H . . 3.540 2.736 2.679 2.781 . 0 0 "[ . 1 . 2]" 1
654 1 24 TYR HB2 1 25 CYS H . . 3.720 3.581 3.444 3.707 . 0 0 "[ . 1 . 2]" 1
655 1 24 TYR HB3 1 25 CYS H . . 3.720 2.198 2.166 2.268 . 0 0 "[ . 1 . 2]" 1
656 1 25 CYS H 1 26 ASN H . . 3.340 2.680 2.635 2.731 . 0 0 "[ . 1 . 2]" 1
657 1 20 PHE H 1 25 CYS H . . 5.450 5.139 4.996 5.285 . 0 0 "[ . 1 . 2]" 1
658 1 25 CYS H 1 27 ASP H . . 4.680 4.688 4.634 4.705 0.025 19 0 "[ . 1 . 2]" 1
659 1 25 CYS HB3 1 26 ASN H . . 4.150 2.788 2.768 2.815 . 0 0 "[ . 1 . 2]" 1
660 1 24 TYR H 1 26 ASN H . . 4.390 3.820 3.762 3.878 . 0 0 "[ . 1 . 2]" 1
661 1 27 ASP H 1 29 CYS H . . 4.630 4.119 4.059 4.165 . 0 0 "[ . 1 . 2]" 1
662 1 26 ASN H 1 27 ASP H . . 3.370 2.927 2.905 2.938 . 0 0 "[ . 1 . 2]" 1
663 1 27 ASP H 1 37 GLY H . . 5.500 5.495 5.417 5.511 0.011 20 0 "[ . 1 . 2]" 1
664 1 27 ASP HB2 1 28 LEU H . . 3.590 3.413 3.118 3.577 . 0 0 "[ . 1 . 2]" 1
665 1 27 ASP HB3 1 28 LEU H . . 3.590 2.929 2.789 3.128 . 0 0 "[ . 1 . 2]" 1
666 1 25 CYS HA 1 28 LEU H . . 3.390 3.431 3.413 3.447 0.057 5 0 "[ . 1 . 2]" 1
667 1 26 ASN H 1 28 LEU H . . 4.680 3.941 3.914 4.037 . 0 0 "[ . 1 . 2]" 1
668 1 28 LEU H 1 28 LEU MD2 . . 4.500 4.160 4.148 4.182 . 0 0 "[ . 1 . 2]" 1
669 1 28 LEU H 1 28 LEU MD1 . . 4.500 4.168 4.156 4.194 . 0 0 "[ . 1 . 2]" 1
670 1 28 LEU H 1 28 LEU HG . . 4.270 4.274 4.261 4.297 0.027 5 0 "[ . 1 . 2]" 1
671 1 26 ASN HD21 1 29 CYS H . . 5.500 5.347 5.176 5.504 0.004 17 0 "[ . 1 . 2]" 1
672 1 28 LEU H 1 29 CYS H . . 3.220 2.717 2.687 2.783 . 0 0 "[ . 1 . 2]" 1
673 1 25 CYS HA 1 29 CYS H . . 4.180 3.836 3.765 3.901 . 0 0 "[ . 1 . 2]" 1
674 1 27 ASP HA 1 29 CYS H . . 4.700 4.040 3.990 4.079 . 0 0 "[ . 1 . 2]" 1
675 1 29 CYS H 1 32 HIS HB2 . . 5.500 5.440 5.241 5.506 0.006 19 0 "[ . 1 . 2]" 1
676 1 28 LEU MD2 1 29 CYS H . . 4.520 4.398 4.341 4.441 . 0 0 "[ . 1 . 2]" 1
677 1 28 LEU MD1 1 29 CYS H . . 4.520 4.177 4.128 4.236 . 0 0 "[ . 1 . 2]" 1
678 1 29 CYS H 1 30 ILE HB . . 5.220 4.836 4.800 4.877 . 0 0 "[ . 1 . 2]" 1
679 1 28 LEU HB3 1 29 CYS H . . 4.230 2.867 2.842 2.885 . 0 0 "[ . 1 . 2]" 1
680 1 28 LEU HG 1 29 CYS H . . 3.840 3.414 3.354 3.473 . 0 0 "[ . 1 . 2]" 1
681 1 28 LEU H 1 30 ILE H . . 4.430 4.175 4.152 4.228 . 0 0 "[ . 1 . 2]" 1
682 1 30 ILE H 1 32 HIS H . . 4.680 4.162 4.086 4.262 . 0 0 "[ . 1 . 2]" 1
683 1 29 CYS H 1 30 ILE H . . 3.360 2.527 2.512 2.546 . 0 0 "[ . 1 . 2]" 1
684 1 30 ILE H 1 32 HIS HB2 . . 5.500 5.153 5.006 5.311 . 0 0 "[ . 1 . 2]" 1
685 1 29 CYS HB2 1 30 ILE H . . 3.420 2.859 2.794 2.918 . 0 0 "[ . 1 . 2]" 1
686 1 30 ILE H 1 30 ILE HG12 . . 3.710 2.910 1.959 3.340 . 0 0 "[ . 1 . 2]" 1
687 1 30 ILE H 1 30 ILE MG . . 3.810 3.763 3.761 3.765 . 0 0 "[ . 1 . 2]" 1
688 1 31 LYS H 1 32 HIS HB2 . . 4.960 4.812 4.715 4.881 . 0 0 "[ . 1 . 2]" 1
689 1 28 LEU HA 1 31 LYS H . . 3.950 3.746 3.639 3.890 . 0 0 "[ . 1 . 2]" 1
690 1 31 LYS H 1 32 HIS H . . 3.290 2.758 2.647 2.839 . 0 0 "[ . 1 . 2]" 1
691 1 30 ILE H 1 31 LYS H . . 3.380 2.795 2.708 2.911 . 0 0 "[ . 1 . 2]" 1
692 1 9 ILE MD 1 32 HIS H . . 5.500 4.962 4.890 5.139 . 0 0 "[ . 1 . 2]" 1
693 1 30 ILE MG 1 33 GLY H . . 4.730 4.261 4.121 4.460 . 0 0 "[ . 1 . 2]" 1
694 1 33 GLY H 1 54 LEU MD1 . . 5.080 4.264 4.200 4.368 . 0 0 "[ . 1 . 2]" 1
695 1 33 GLY H 1 34 ALA MB . . 4.480 3.627 3.601 3.663 . 0 0 "[ . 1 . 2]" 1
696 1 33 GLY H 1 55 PRO HG3 . . 5.500 5.445 5.368 5.512 0.012 6 0 "[ . 1 . 2]" 1
697 1 31 LYS HB3 1 32 HIS H . . 4.080 2.668 2.530 2.757 . 0 0 "[ . 1 . 2]" 1
698 1 31 LYS HB2 1 32 HIS H . . 4.080 3.835 3.673 4.002 . 0 0 "[ . 1 . 2]" 1
699 1 32 HIS H 1 34 ALA H . . 4.030 3.915 3.852 4.036 0.006 5 0 "[ . 1 . 2]" 1
700 1 32 HIS H 1 33 GLY H . . 3.210 2.515 2.460 2.622 . 0 0 "[ . 1 . 2]" 1
701 1 33 GLY H 1 34 ALA H . . 3.220 1.971 1.949 2.002 . 0 0 "[ . 1 . 2]" 1
702 1 29 CYS HB3 1 34 ALA H . . 4.390 3.841 3.781 3.905 . 0 0 "[ . 1 . 2]" 1
703 1 32 HIS HB2 1 33 GLY H . . 4.400 2.951 2.934 2.986 . 0 0 "[ . 1 . 2]" 1
704 1 32 HIS HB3 1 33 GLY H . . 4.540 3.720 3.655 3.752 . 0 0 "[ . 1 . 2]" 1
705 1 30 ILE HA 1 33 GLY H . . 3.970 3.276 3.186 3.387 . 0 0 "[ . 1 . 2]" 1
706 1 34 ALA H 1 54 LEU MD1 . . 3.830 3.710 3.668 3.778 . 0 0 "[ . 1 . 2]" 1
707 1 34 ALA H 1 55 PRO HG3 . . 5.500 5.460 5.380 5.505 0.005 3 0 "[ . 1 . 2]" 1
708 1 32 HIS HA 1 34 ALA H . . 5.400 5.236 5.210 5.254 . 0 0 "[ . 1 . 2]" 1
709 1 34 ALA HA 1 35 GLU H . . 3.460 2.391 2.338 2.468 . 0 0 "[ . 1 . 2]" 1
710 1 34 ALA MB 1 35 GLU H . . 3.030 2.586 2.461 2.677 . 0 0 "[ . 1 . 2]" 1
711 1 35 GLU H 1 53 LYS HD3 . . 4.030 3.462 3.306 3.573 . 0 0 "[ . 1 . 2]" 1
712 1 35 GLU H 1 35 GLU HG3 . . 4.660 4.256 3.463 4.637 . 0 0 "[ . 1 . 2]" 1
713 1 29 CYS HB3 1 35 GLU H . . 4.930 4.867 4.672 4.935 0.005 19 0 "[ . 1 . 2]" 1
714 1 30 ILE HA 1 35 GLU H . . 5.500 5.486 5.370 5.515 0.015 20 0 "[ . 1 . 2]" 1
715 1 35 GLU H 1 55 PRO HD3 . . 5.500 5.450 5.351 5.504 0.004 16 0 "[ . 1 . 2]" 1
716 1 35 GLU H 1 36 SER HA . . 5.250 5.088 4.994 5.162 . 0 0 "[ . 1 . 2]" 1
717 1 35 GLU H 1 36 SER H . . 2.780 2.637 2.501 2.755 . 0 0 "[ . 1 . 2]" 1
718 1 36 SER H 1 37 GLY H . . 4.400 4.360 4.344 4.374 . 0 0 "[ . 1 . 2]" 1
719 1 34 ALA HA 1 36 SER H . . 4.580 4.493 4.439 4.584 0.004 9 0 "[ . 1 . 2]" 1
720 1 36 SER H 1 53 LYS HD3 . . 5.500 5.290 5.158 5.444 . 0 0 "[ . 1 . 2]" 1
721 1 34 ALA MB 1 36 SER H . . 3.160 2.810 2.715 2.933 . 0 0 "[ . 1 . 2]" 1
722 1 36 SER H 1 52 VAL MG2 . . 4.240 4.033 3.313 4.322 0.082 17 0 "[ . 1 . 2]" 1
723 1 35 GLU HB3 1 36 SER H . . 3.940 2.648 2.466 2.830 . 0 0 "[ . 1 . 2]" 1
724 1 35 GLU HB2 1 36 SER H . . 3.940 3.508 2.957 3.947 0.007 13 0 "[ . 1 . 2]" 1
725 1 29 CYS HB3 1 36 SER H . . 4.330 3.963 3.840 4.092 . 0 0 "[ . 1 . 2]" 1
726 1 36 SER H 1 51 CYS HB3 . . 5.500 5.397 5.084 5.508 0.008 19 0 "[ . 1 . 2]" 1
727 1 26 ASN HB2 1 37 GLY H . . 3.980 3.465 3.269 3.722 . 0 0 "[ . 1 . 2]" 1
728 1 29 CYS HB2 1 37 GLY H . . 4.490 3.857 3.728 3.966 . 0 0 "[ . 1 . 2]" 1
729 1 38 GLU H 1 38 GLU HG2 . . 3.870 2.360 2.130 2.537 . 0 0 "[ . 1 . 2]" 1
730 1 38 GLU H 1 50 TRP HB2 . . 4.760 4.586 4.480 4.733 . 0 0 "[ . 1 . 2]" 1
731 1 37 GLY HA3 1 38 GLU H . . 3.360 2.997 2.946 3.062 . 0 0 "[ . 1 . 2]" 1
732 1 26 ASN HA 1 37 GLY H . . 2.960 2.112 2.046 2.143 . 0 0 "[ . 1 . 2]" 1
733 1 36 SER HA 1 37 GLY H . . 3.230 2.638 2.573 2.693 . 0 0 "[ . 1 . 2]" 1
734 1 38 GLU H 1 51 CYS HA . . 4.190 4.062 3.928 4.145 . 0 0 "[ . 1 . 2]" 1
735 1 37 GLY HA2 1 38 GLU H . . 3.180 2.220 2.188 2.250 . 0 0 "[ . 1 . 2]" 1
736 1 38 GLU H 1 52 VAL H . . 5.500 5.420 5.296 5.516 0.016 9 0 "[ . 1 . 2]" 1
737 1 37 GLY H 1 38 GLU H . . 4.660 4.294 4.237 4.337 . 0 0 "[ . 1 . 2]" 1
738 1 38 GLU H 1 50 TRP H . . 3.910 3.104 3.005 3.190 . 0 0 "[ . 1 . 2]" 1
739 1 38 GLU HB2 1 39 CYS H . . 3.220 2.712 2.566 3.050 . 0 0 "[ . 1 . 2]" 1
740 1 40 LYS H 1 40 LYS HB2 . . 3.680 2.661 2.419 2.787 . 0 0 "[ . 1 . 2]" 1
741 1 40 LYS H 1 40 LYS HB3 . . 3.950 3.663 3.484 3.753 . 0 0 "[ . 1 . 2]" 1
742 1 39 CYS HB3 1 40 LYS H . . 4.240 2.972 2.774 3.375 . 0 0 "[ . 1 . 2]" 1
743 1 40 LYS H 1 50 TRP HB3 . . 5.110 4.843 4.270 5.112 0.002 15 0 "[ . 1 . 2]" 1
744 1 38 GLU HA 1 39 CYS H . . 3.420 2.302 2.194 2.351 . 0 0 "[ . 1 . 2]" 1
745 1 8 TYR QE 1 40 LYS H . . 4.530 3.889 3.385 4.229 . 0 0 "[ . 1 . 2]" 1
746 1 40 LYS H 1 48 ALA H . . 3.800 3.242 3.061 3.684 . 0 0 "[ . 1 . 2]" 1
747 1 40 LYS HG3 1 41 TRP H . . 4.860 4.395 3.682 4.850 . 0 0 "[ . 1 . 2]" 1
748 1 40 LYS HB2 1 41 TRP H . . 4.600 4.475 4.437 4.505 . 0 0 "[ . 1 . 2]" 1
749 1 40 LYS HG2 1 41 TRP H . . 4.860 4.164 3.897 4.854 . 0 0 "[ . 1 . 2]" 1
750 1 41 TRP H 1 41 TRP HB2 . . 3.290 2.383 2.330 2.442 . 0 0 "[ . 1 . 2]" 1
751 1 41 TRP H 1 41 TRP HB3 . . 3.430 2.791 2.721 2.857 . 0 0 "[ . 1 . 2]" 1
752 1 40 LYS HA 1 41 TRP H . . 3.290 2.141 2.139 2.143 . 0 0 "[ . 1 . 2]" 1
753 1 41 TRP H 1 41 TRP HD1 . . 4.790 4.606 4.508 4.704 . 0 0 "[ . 1 . 2]" 1
754 1 41 TRP HA 1 43 THR H . . 4.350 3.580 3.386 3.821 . 0 0 "[ . 1 . 2]" 1
755 1 43 THR H 1 47 ASN HA . . 4.930 4.950 4.928 4.956 0.026 7 0 "[ . 1 . 2]" 1
756 1 43 THR H 1 43 THR MG . . 4.120 3.255 2.246 3.956 . 0 0 "[ . 1 . 2]" 1
757 1 46 GLY H 1 47 ASN H . . 4.320 4.178 3.995 4.319 . 0 0 "[ . 1 . 2]" 1
758 1 45 SER H 1 46 GLY H . . 3.170 2.427 2.410 2.443 . 0 0 "[ . 1 . 2]" 1
759 1 44 SER HA 1 46 GLY H . . 4.180 3.205 3.176 3.235 . 0 0 "[ . 1 . 2]" 1
760 1 43 THR MG 1 46 GLY H . . 5.500 4.666 3.444 5.525 0.025 19 0 "[ . 1 . 2]" 1
761 1 43 THR MG 1 45 SER H . . 4.550 2.754 1.847 3.512 . 0 0 "[ . 1 . 2]" 1
762 1 48 ALA HA 1 49 CYS H . . 2.910 2.396 2.393 2.398 . 0 0 "[ . 1 . 2]" 1
763 1 48 ALA H 1 49 CYS H . . 4.830 4.565 4.494 4.591 . 0 0 "[ . 1 . 2]" 1
764 1 17 TYR H 1 49 CYS H . . 4.240 3.910 3.611 4.103 . 0 0 "[ . 1 . 2]" 1
765 1 17 TYR QD 1 49 CYS H . . 5.500 5.170 5.068 5.270 . 0 0 "[ . 1 . 2]" 1
766 1 18 HIS HA 1 49 CYS H . . 5.270 4.928 4.547 5.143 . 0 0 "[ . 1 . 2]" 1
767 1 39 CYS HB3 1 48 ALA H . . 5.340 4.669 4.244 4.965 . 0 0 "[ . 1 . 2]" 1
768 1 47 ASN HB2 1 48 ALA H . . 4.240 3.786 2.869 4.235 . 0 0 "[ . 1 . 2]" 1
769 1 19 CYS QB 1 49 CYS H . . 5.220 4.694 4.375 4.952 . 0 0 "[ . 1 . 2]" 1
770 1 16 VAL HB 1 49 CYS H . . 4.730 3.807 3.601 3.962 . 0 0 "[ . 1 . 2]" 1
771 1 48 ALA MB 1 49 CYS H . . 3.160 2.505 2.383 2.576 . 0 0 "[ . 1 . 2]" 1
772 1 9 ILE MG 1 49 CYS H . . 4.780 3.662 3.481 3.762 . 0 0 "[ . 1 . 2]" 1
773 1 40 LYS H 1 50 TRP H . . 4.540 4.206 3.790 4.376 . 0 0 "[ . 1 . 2]" 1
774 1 49 CYS H 1 50 TRP H . . 4.640 4.388 4.374 4.403 . 0 0 "[ . 1 . 2]" 1
775 1 51 CYS H 1 54 LEU MD1 . . 5.130 4.862 4.576 4.997 . 0 0 "[ . 1 . 2]" 1
776 1 50 TRP HB2 1 51 CYS H . . 4.560 4.025 3.918 4.263 . 0 0 "[ . 1 . 2]" 1
777 1 50 TRP HA 1 51 CYS H . . 3.470 2.185 2.140 2.213 . 0 0 "[ . 1 . 2]" 1
778 1 8 TYR HA 1 51 CYS H . . 3.960 3.264 3.167 3.361 . 0 0 "[ . 1 . 2]" 1
779 1 8 TYR H 1 51 CYS H . . 5.420 5.415 5.358 5.427 0.007 8 0 "[ . 1 . 2]" 1
780 1 50 TRP H 1 51 CYS H . . 4.670 4.494 4.348 4.544 . 0 0 "[ . 1 . 2]" 1
781 1 34 ALA MB 1 52 VAL H . . 3.710 3.004 2.787 3.133 . 0 0 "[ . 1 . 2]" 1
782 1 52 VAL H 1 52 VAL MG2 . . 4.440 3.427 2.464 3.810 . 0 0 "[ . 1 . 2]" 1
783 1 51 CYS HB2 1 52 VAL H . . 4.230 4.142 3.970 4.236 0.006 11 0 "[ . 1 . 2]" 1
784 1 29 CYS HB3 1 52 VAL H . . 4.390 4.063 3.815 4.201 . 0 0 "[ . 1 . 2]" 1
785 1 51 CYS HB3 1 52 VAL H . . 3.810 3.003 2.750 3.134 . 0 0 "[ . 1 . 2]" 1
786 1 37 GLY HA3 1 52 VAL H . . 5.500 4.772 4.689 4.837 . 0 0 "[ . 1 . 2]" 1
787 1 51 CYS HA 1 52 VAL H . . 2.910 2.215 2.182 2.284 . 0 0 "[ . 1 . 2]" 1
788 1 37 GLY HA2 1 52 VAL H . . 3.740 3.664 3.565 3.729 . 0 0 "[ . 1 . 2]" 1
789 1 36 SER H 1 52 VAL H . . 3.580 3.275 3.077 3.363 . 0 0 "[ . 1 . 2]" 1
790 1 51 CYS H 1 52 VAL H . . 4.690 4.446 4.391 4.542 . 0 0 "[ . 1 . 2]" 1
791 1 52 VAL H 1 53 LYS H . . 4.770 4.551 4.529 4.564 . 0 0 "[ . 1 . 2]" 1
792 1 6 ASP H 1 53 LYS H . . 4.270 4.131 3.588 4.279 0.009 18 0 "[ . 1 . 2]" 1
793 1 7 ALA H 1 53 LYS H . . 4.950 4.783 4.683 4.935 . 0 0 "[ . 1 . 2]" 1
794 1 52 VAL HA 1 53 LYS H . . 2.890 2.246 2.230 2.256 . 0 0 "[ . 1 . 2]" 1
795 1 52 VAL MG1 1 53 LYS H . . 3.970 3.262 1.966 3.810 . 0 0 "[ . 1 . 2]" 1
796 1 54 LEU H 1 54 LEU MD2 . . 4.340 4.187 4.153 4.211 . 0 0 "[ . 1 . 2]" 1
797 1 53 LYS H 1 53 LYS HB2 . . 4.080 3.929 3.922 3.936 . 0 0 "[ . 1 . 2]" 1
798 1 53 LYS H 1 53 LYS HG3 . . 4.210 4.028 4.012 4.042 . 0 0 "[ . 1 . 2]" 1
799 1 53 LYS H 1 53 LYS HG2 . . 3.830 3.526 3.488 3.558 . 0 0 "[ . 1 . 2]" 1
800 1 54 LEU H 1 54 LEU HB2 . . 3.170 2.247 2.218 2.279 . 0 0 "[ . 1 . 2]" 1
801 1 54 LEU H 1 54 LEU HB3 . . 3.170 2.825 2.795 2.846 . 0 0 "[ . 1 . 2]" 1
802 1 4 VAL HB 1 54 LEU H . . 4.130 3.804 3.707 3.974 . 0 0 "[ . 1 . 2]" 1
803 1 53 LYS HG3 1 54 LEU H . . 4.160 4.075 4.038 4.127 . 0 0 "[ . 1 . 2]" 1
804 1 51 CYS HB2 1 54 LEU H . . 4.930 4.784 4.553 4.909 . 0 0 "[ . 1 . 2]" 1
805 1 51 CYS HB3 1 54 LEU H . . 4.640 4.185 4.134 4.278 . 0 0 "[ . 1 . 2]" 1
806 1 53 LYS HA 1 54 LEU H . . 3.230 2.764 2.735 2.777 . 0 0 "[ . 1 . 2]" 1
807 1 52 VAL HA 1 54 LEU H . . 4.330 3.679 3.653 3.730 . 0 0 "[ . 1 . 2]" 1
808 1 4 VAL HA 1 54 LEU H . . 5.500 5.485 5.411 5.507 0.007 17 0 "[ . 1 . 2]" 1
809 1 5 ARG HA 1 54 LEU H . . 5.190 4.836 4.749 4.909 . 0 0 "[ . 1 . 2]" 1
810 1 52 VAL H 1 54 LEU H . . 4.920 4.718 4.605 4.822 . 0 0 "[ . 1 . 2]" 1
811 1 7 ALA H 1 54 LEU H . . 4.740 3.668 3.465 3.897 . 0 0 "[ . 1 . 2]" 1
812 1 53 LYS H 1 54 LEU H . . 3.580 2.987 2.977 3.006 . 0 0 "[ . 1 . 2]" 1
813 1 4 VAL MG1 1 56 LYS H . . 3.570 3.503 3.415 3.562 . 0 0 "[ . 1 . 2]" 1
814 1 55 PRO HB3 1 56 LYS H . . 3.800 3.773 3.738 3.809 0.009 6 0 "[ . 1 . 2]" 1
815 1 55 PRO HA 1 56 LYS H . . 2.890 2.213 2.199 2.227 . 0 0 "[ . 1 . 2]" 1
816 1 4 VAL MG1 1 57 SER H . . 5.160 5.087 4.994 5.161 0.001 6 0 "[ . 1 . 2]" 1
817 1 55 PRO HB2 1 57 SER H . . 3.470 2.529 2.506 2.556 . 0 0 "[ . 1 . 2]" 1
818 1 55 PRO HB3 1 57 SER H . . 4.300 4.116 4.099 4.129 . 0 0 "[ . 1 . 2]" 1
819 1 55 PRO HG2 1 57 SER H . . 4.160 4.079 4.029 4.118 . 0 0 "[ . 1 . 2]" 1
820 1 55 PRO HA 1 57 SER H . . 4.100 3.943 3.905 3.972 . 0 0 "[ . 1 . 2]" 1
821 1 56 LYS H 1 57 SER H . . 3.330 2.691 2.660 2.726 . 0 0 "[ . 1 . 2]" 1
822 1 56 LYS H 1 58 GLU H . . 4.490 4.383 4.366 4.413 . 0 0 "[ . 1 . 2]" 1
823 1 54 LEU MD1 1 58 GLU H . . 5.280 5.159 5.067 5.210 . 0 0 "[ . 1 . 2]" 1
824 1 55 PRO HG2 1 58 GLU H . . 3.230 2.865 2.834 2.887 . 0 0 "[ . 1 . 2]" 1
825 1 55 PRO HB2 1 58 GLU H . . 4.200 3.267 3.241 3.318 . 0 0 "[ . 1 . 2]" 1
826 1 54 LEU MD2 1 58 GLU H . . 4.940 4.910 4.828 4.946 0.006 2 0 "[ . 1 . 2]" 1
827 1 58 GLU H 1 58 GLU HG3 . . 4.130 3.736 3.682 3.967 . 0 0 "[ . 1 . 2]" 1
828 1 55 PRO HB3 1 58 GLU H . . 5.240 4.840 4.813 4.871 . 0 0 "[ . 1 . 2]" 1
829 1 58 GLU H 1 58 GLU HB2 . . 4.060 2.411 2.333 2.430 . 0 0 "[ . 1 . 2]" 1
830 1 60 ILE H 1 61 LYS H . . 4.600 4.353 4.328 4.398 . 0 0 "[ . 1 . 2]" 1
831 1 60 ILE H 1 60 ILE HG13 . . 3.330 2.954 2.929 2.965 . 0 0 "[ . 1 . 2]" 1
832 1 60 ILE H 1 60 ILE HG12 . . 3.200 2.478 2.459 2.504 . 0 0 "[ . 1 . 2]" 1
833 1 60 ILE H 1 60 ILE MG . . 3.410 3.283 3.240 3.313 . 0 0 "[ . 1 . 2]" 1
834 1 59 PRO HB3 1 60 ILE H . . 3.660 3.537 3.494 3.559 . 0 0 "[ . 1 . 2]" 1
835 1 10 ALA H 1 61 LYS H . . 4.130 3.814 3.691 4.035 . 0 0 "[ . 1 . 2]" 1
836 1 60 ILE HA 1 61 LYS H . . 3.120 2.274 2.238 2.388 . 0 0 "[ . 1 . 2]" 1
837 1 8 TYR QB 1 61 LYS H . . 3.750 3.729 3.650 3.760 0.010 18 0 "[ . 1 . 2]" 1
838 1 60 ILE HB 1 61 LYS H . . 3.120 2.719 2.406 2.833 . 0 0 "[ . 1 . 2]" 1
839 1 10 ALA MB 1 61 LYS H . . 3.600 2.559 2.442 2.667 . 0 0 "[ . 1 . 2]" 1
840 1 60 ILE MG 1 61 LYS H . . 3.640 3.608 3.507 3.648 0.008 6 0 "[ . 1 . 2]" 1
841 1 62 VAL H 1 62 VAL MG1 . . 3.750 3.172 3.066 3.298 . 0 0 "[ . 1 . 2]" 1
842 1 14 ASN HD22 1 62 VAL H . . 4.070 3.997 3.826 4.076 0.006 2 0 "[ . 1 . 2]" 1
843 1 14 ASN HD21 1 62 VAL H . . 4.560 4.251 3.719 4.569 0.009 14 0 "[ . 1 . 2]" 1
844 1 61 LYS H 1 62 VAL H . . 4.670 4.557 4.502 4.606 . 0 0 "[ . 1 . 2]" 1
845 1 63 PRO HB2 1 64 GLY H . . 4.350 3.655 3.360 3.720 . 0 0 "[ . 1 . 2]" 1
846 1 63 PRO HB3 1 64 GLY H . . 4.350 4.087 3.887 4.131 . 0 0 "[ . 1 . 2]" 1
847 1 63 PRO HA 1 64 GLY H . . 2.710 2.157 2.154 2.180 . 0 0 "[ . 1 . 2]" 1
848 1 65 LYS HB3 1 66 CYS H . . 4.310 3.682 2.936 4.148 . 0 0 "[ . 1 . 2]" 1
849 1 26 ASN HA 1 26 ASN HD21 . . 4.560 2.908 2.159 3.794 . 0 0 "[ . 1 . 2]" 1
850 1 26 ASN HA 1 26 ASN HD22 . . 5.020 4.001 3.746 4.365 . 0 0 "[ . 1 . 2]" 1
851 1 26 ASN HD22 1 30 ILE MD . . 3.610 2.921 2.462 3.488 . 0 0 "[ . 1 . 2]" 1
852 1 26 ASN HD21 1 30 ILE MD . . 3.690 3.356 2.603 3.703 0.013 6 0 "[ . 1 . 2]" 1
853 1 26 ASN H 1 26 ASN HD21 . . 4.970 4.531 4.462 4.625 . 0 0 "[ . 1 . 2]" 1
854 1 23 SER H 1 23 SER HB2 . . 3.650 2.576 2.305 3.346 . 0 0 "[ . 1 . 2]" 1
855 1 23 SER H 1 23 SER HB3 . . 3.650 3.155 2.299 3.596 . 0 0 "[ . 1 . 2]" 1
856 1 14 ASN H 1 14 ASN HD21 . . 4.700 4.084 3.804 4.569 . 0 0 "[ . 1 . 2]" 1
857 1 14 ASN HD22 1 61 LYS HA . . 5.500 5.510 5.501 5.524 0.024 20 0 "[ . 1 . 2]" 1
858 1 14 ASN HD21 1 61 LYS HA . . 5.500 5.217 4.883 5.384 . 0 0 "[ . 1 . 2]" 1
859 1 11 GLN HE22 1 17 TYR HA . . 4.430 4.362 2.944 4.451 0.021 20 0 "[ . 1 . 2]" 1
860 1 50 TRP HE1 1 52 VAL MG2 . . 4.490 3.384 2.450 3.785 . 0 0 "[ . 1 . 2]" 1
861 1 41 TRP HE1 1 44 SER HA . . 3.420 2.974 2.713 3.412 . 0 0 "[ . 1 . 2]" 1
862 1 44 SER HB2 1 45 SER H . . 5.290 4.391 4.017 4.580 . 0 0 "[ . 1 . 2]" 1
863 1 44 SER HB3 1 45 SER H . . 5.290 4.279 4.004 4.626 . 0 0 "[ . 1 . 2]" 1
864 1 45 SER H 1 45 SER HB3 . . 3.790 3.069 2.470 3.729 . 0 0 "[ . 1 . 2]" 1
865 1 49 CYS H 1 49 CYS HB3 . . 3.210 2.430 2.423 2.440 . 0 0 "[ . 1 . 2]" 1
866 1 41 TRP H 1 47 ASN HA . . 5.460 4.749 4.245 5.391 . 0 0 "[ . 1 . 2]" 1
867 1 29 CYS H 1 37 GLY HA2 . . 5.500 5.515 5.506 5.530 0.030 6 0 "[ . 1 . 2]" 1
868 1 29 CYS H 1 30 ILE MD . . 5.150 4.813 4.611 5.024 . 0 0 "[ . 1 . 2]" 1
869 1 30 ILE H 1 30 ILE MD . . 3.670 3.283 2.879 3.530 . 0 0 "[ . 1 . 2]" 1
870 1 30 ILE H 1 30 ILE HG13 . . 3.710 2.425 1.946 3.539 . 0 0 "[ . 1 . 2]" 1
871 1 30 ILE H 1 34 ALA MB . . 4.350 4.281 4.190 4.358 0.008 2 0 "[ . 1 . 2]" 1
872 1 30 ILE H 1 36 SER HA . . 5.100 4.607 4.400 4.747 . 0 0 "[ . 1 . 2]" 1
873 1 25 CYS H 1 39 CYS H . . 5.500 5.391 5.002 5.501 0.001 3 0 "[ . 1 . 2]" 1
874 1 26 ASN HD22 1 27 ASP H . . 5.440 4.631 4.261 4.867 . 0 0 "[ . 1 . 2]" 1
875 1 25 CYS H 1 49 CYS HA . . 5.500 5.518 5.510 5.531 0.031 1 0 "[ . 1 . 2]" 1
876 1 21 ARG HA 1 25 CYS H . . 5.500 5.493 5.437 5.512 0.012 1 0 "[ . 1 . 2]" 1
877 1 21 ARG QG 1 25 CYS H . . 5.170 4.440 4.236 4.618 . 0 0 "[ . 1 . 2]" 1
878 1 41 TRP HA 1 48 ALA H . . 5.260 3.351 2.994 3.858 . 0 0 "[ . 1 . 2]" 1
879 1 16 VAL HA 1 49 CYS H . . 5.490 5.054 4.854 5.170 . 0 0 "[ . 1 . 2]" 1
880 1 17 TYR HA 1 49 CYS H . . 5.500 5.305 5.029 5.448 . 0 0 "[ . 1 . 2]" 1
881 1 8 TYR QE 1 48 ALA H . . 5.410 4.594 4.379 4.791 . 0 0 "[ . 1 . 2]" 1
882 1 47 ASN HB3 1 48 ALA H . . 4.240 3.632 3.399 4.092 . 0 0 "[ . 1 . 2]" 1
883 1 19 CYS H 1 49 CYS H . . 5.220 4.681 4.512 4.908 . 0 0 "[ . 1 . 2]" 1
884 1 24 TYR HA 1 24 TYR QD . . 3.170 2.840 2.385 3.133 . 0 0 "[ . 1 . 2]" 1
885 1 19 CYS QB 1 24 TYR QD . . 2.910 2.358 1.997 2.653 . 0 0 "[ . 1 . 2]" 1
886 1 20 PHE HA 1 20 PHE QD . . 3.940 2.378 2.073 2.710 . 0 0 "[ . 1 . 2]" 1
887 1 17 TYR H 1 17 TYR QD . . 3.610 3.001 2.965 3.056 . 0 0 "[ . 1 . 2]" 1
888 1 10 ALA HA 1 17 TYR QD . . 4.090 2.670 2.246 2.916 . 0 0 "[ . 1 . 2]" 1
889 1 17 TYR HA 1 17 TYR QD . . 3.360 2.622 2.542 2.879 . 0 0 "[ . 1 . 2]" 1
890 1 9 ILE MD 1 17 TYR QD . . 3.960 3.003 2.924 3.268 . 0 0 "[ . 1 . 2]" 1
891 1 17 TYR QD 1 28 LEU MD1 . . 4.490 3.772 3.388 4.101 . 0 0 "[ . 1 . 2]" 1
892 1 9 ILE MG 1 17 TYR QD . . 3.100 2.101 2.015 2.301 . 0 0 "[ . 1 . 2]" 1
893 1 9 ILE HG12 1 17 TYR QD . . 4.180 2.321 2.125 2.495 . 0 0 "[ . 1 . 2]" 1
894 1 10 ALA HA 1 17 TYR QE . . 4.220 4.093 3.850 4.223 0.003 19 0 "[ . 1 . 2]" 1
895 1 17 TYR QE 1 28 LEU MD1 . . 4.170 3.374 2.417 3.810 . 0 0 "[ . 1 . 2]" 1
896 1 9 ILE HG12 1 17 TYR QE . . 3.570 2.451 2.234 2.670 . 0 0 "[ . 1 . 2]" 1
897 1 9 ILE MG 1 17 TYR QE . . 3.920 3.614 3.473 3.783 . 0 0 "[ . 1 . 2]" 1
898 1 9 ILE MD 1 17 TYR QE . . 3.640 2.527 2.414 2.746 . 0 0 "[ . 1 . 2]" 1
899 1 8 TYR QD 1 48 ALA MB . . 3.280 2.740 2.572 2.925 . 0 0 "[ . 1 . 2]" 1
900 1 8 TYR QD 1 40 LYS HB2 . . 5.220 4.788 4.626 5.029 . 0 0 "[ . 1 . 2]" 1
901 1 8 TYR QE 1 48 ALA MB . . 3.190 2.633 2.367 2.923 . 0 0 "[ . 1 . 2]" 1
902 1 8 TYR QE 1 40 LYS HB2 . . 3.400 2.536 2.366 2.766 . 0 0 "[ . 1 . 2]" 1
903 1 8 TYR QE 1 50 TRP HA . . 4.350 3.911 3.643 4.092 . 0 0 "[ . 1 . 2]" 1
904 1 8 TYR QE 1 50 TRP HZ3 . . 3.490 2.972 2.691 3.403 . 0 0 "[ . 1 . 2]" 1
905 1 8 TYR H 1 8 TYR QE . . 5.500 5.113 4.983 5.251 . 0 0 "[ . 1 . 2]" 1
906 1 8 TYR QE 1 49 CYS H . . 5.500 4.799 4.459 5.114 . 0 0 "[ . 1 . 2]" 1
907 1 8 TYR QE 1 50 TRP H . . 4.620 4.332 3.862 4.617 . 0 0 "[ . 1 . 2]" 1
908 1 28 LEU HG 1 32 HIS HD2 . . 4.550 4.090 3.874 4.353 . 0 0 "[ . 1 . 2]" 1
909 1 32 HIS HB2 1 32 HIS HD2 . . 3.700 3.155 3.077 3.223 . 0 0 "[ . 1 . 2]" 1
910 1 28 LEU HA 1 32 HIS HD2 . . 4.790 4.270 4.154 4.381 . 0 0 "[ . 1 . 2]" 1
911 1 67 HIS H 1 67 HIS HD2 . . 3.440 2.772 2.234 3.326 . 0 0 "[ . 1 . 2]" 1
912 1 41 TRP HB2 1 41 TRP HD1 . . 3.250 3.039 2.919 3.168 . 0 0 "[ . 1 . 2]" 1
913 1 41 TRP HA 1 41 TRP HD1 . . 3.790 2.371 2.166 2.588 . 0 0 "[ . 1 . 2]" 1
914 1 41 TRP HZ2 1 44 SER HB2 . . 5.460 3.740 3.097 4.802 . 0 0 "[ . 1 . 2]" 1
915 1 41 TRP HZ2 1 44 SER HB3 . . 5.460 3.963 3.057 4.801 . 0 0 "[ . 1 . 2]" 1
916 1 41 TRP H 1 41 TRP HE3 . . 5.350 5.164 5.075 5.242 . 0 0 "[ . 1 . 2]" 1
917 1 41 TRP HB3 1 41 TRP HE3 . . 3.600 2.415 2.399 2.457 . 0 0 "[ . 1 . 2]" 1
918 1 41 TRP HB2 1 41 TRP HE3 . . 3.920 3.738 3.587 3.868 . 0 0 "[ . 1 . 2]" 1
919 1 7 ALA HA 1 50 TRP HH2 . . 4.180 3.506 3.102 3.658 . 0 0 "[ . 1 . 2]" 1
920 1 7 ALA HA 1 50 TRP HZ3 . . 3.470 3.450 3.277 3.476 0.006 13 0 "[ . 1 . 2]" 1
921 1 19 CYS HA 1 24 TYR QD . . 4.100 2.833 2.100 3.331 . 0 0 "[ . 1 . 2]" 1
922 1 19 CYS HA 1 24 TYR QE . . 4.020 3.599 3.031 3.931 . 0 0 "[ . 1 . 2]" 1
923 1 24 TYR QE 1 28 LEU MD1 . . 4.500 3.831 3.398 4.359 . 0 0 "[ . 1 . 2]" 1
924 1 24 TYR QE 1 28 LEU MD2 . . 4.500 2.411 1.927 3.002 . 0 0 "[ . 1 . 2]" 1
925 1 20 PHE HA 1 20 PHE QE . . 4.400 4.329 4.257 4.397 . 0 0 "[ . 1 . 2]" 1
926 1 32 HIS HE1 1 59 PRO HD2 . . 4.400 3.577 3.275 4.074 . 0 0 "[ . 1 . 2]" 1
927 1 2 GLU QB 1 3 GLU H . . 3.340 3.047 2.507 3.339 . 0 0 "[ . 1 . 2]" 1
928 1 2 GLU QB 1 4 VAL MG1 . . 5.340 4.314 3.763 4.733 . 0 0 "[ . 1 . 2]" 1
929 1 4 VAL MG1 1 53 LYS QE . . 4.370 3.421 3.018 4.055 . 0 0 "[ . 1 . 2]" 1
930 1 4 VAL MG1 1 56 LYS QB . . 5.340 5.068 4.822 5.339 . 0 0 "[ . 1 . 2]" 1
931 1 4 VAL MG1 1 56 LYS QG . . 5.180 4.705 4.163 5.184 0.004 18 0 "[ . 1 . 2]" 1
932 1 4 VAL MG2 1 53 LYS QE . . 4.430 3.252 2.823 3.939 . 0 0 "[ . 1 . 2]" 1
933 1 6 ASP H 1 6 ASP QB . . 3.200 2.719 2.555 2.833 . 0 0 "[ . 1 . 2]" 1
934 1 6 ASP HA 1 52 VAL QG . . 4.300 4.006 3.878 4.255 . 0 0 "[ . 1 . 2]" 1
935 1 6 ASP HA 1 54 LEU QB . . 4.430 3.721 3.464 3.912 . 0 0 "[ . 1 . 2]" 1
936 1 6 ASP QB 1 7 ALA H . . 3.760 3.395 3.230 3.503 . 0 0 "[ . 1 . 2]" 1
937 1 6 ASP QB 1 50 TRP HE1 . . 4.440 3.618 2.922 4.026 . 0 0 "[ . 1 . 2]" 1
938 1 6 ASP QB 1 52 VAL HA . . 4.420 2.946 2.520 3.096 . 0 0 "[ . 1 . 2]" 1
939 1 6 ASP QB 1 52 VAL QG . . 4.160 3.077 2.586 3.412 . 0 0 "[ . 1 . 2]" 1
940 1 6 ASP QB 1 53 LYS H . . 4.660 2.766 2.146 3.471 . 0 0 "[ . 1 . 2]" 1
941 1 7 ALA MB 1 54 LEU QB . . 4.480 3.728 3.458 3.851 . 0 0 "[ . 1 . 2]" 1
942 1 8 TYR QB 1 16 VAL QG . . 4.190 3.973 3.671 4.145 . 0 0 "[ . 1 . 2]" 1
943 1 8 TYR QD 1 16 VAL QG . . 4.610 4.493 4.300 4.602 . 0 0 "[ . 1 . 2]" 1
944 1 8 TYR QD 1 61 LYS QB . . 5.340 4.489 4.336 4.561 . 0 0 "[ . 1 . 2]" 1
945 1 8 TYR QE 1 16 VAL QG . . 5.440 5.404 5.341 5.448 0.008 9 0 "[ . 1 . 2]" 1
946 1 8 TYR QE 1 40 LYS QG . . 4.600 4.377 3.893 4.580 . 0 0 "[ . 1 . 2]" 1
947 1 9 ILE HB 1 58 GLU QB . . 5.340 5.016 4.763 5.109 . 0 0 "[ . 1 . 2]" 1
948 1 9 ILE MG 1 17 TYR QB . . 3.870 2.520 2.295 2.708 . 0 0 "[ . 1 . 2]" 1
949 1 9 ILE MG 1 28 LEU QD . . 3.430 3.337 3.227 3.432 0.002 3 0 "[ . 1 . 2]" 1
950 1 9 ILE MD 1 28 LEU QD . . 4.060 3.215 3.082 3.340 . 0 0 "[ . 1 . 2]" 1
951 1 9 ILE MD 1 58 GLU QB . . 3.810 3.107 2.906 3.210 . 0 0 "[ . 1 . 2]" 1
952 1 9 ILE MD 1 58 GLU QG . . 4.750 3.772 3.595 3.924 . 0 0 "[ . 1 . 2]" 1
953 1 10 ALA HA 1 16 VAL QG . . 5.440 3.987 3.873 4.219 . 0 0 "[ . 1 . 2]" 1
954 1 10 ALA MB 1 61 LYS QD . . 4.560 2.797 2.468 3.250 . 0 0 "[ . 1 . 2]" 1
955 1 11 GLN HA 1 12 PRO QG . . 4.240 4.044 4.041 4.055 . 0 0 "[ . 1 . 2]" 1
956 1 11 GLN QE 1 17 TYR HA . . 3.660 2.815 2.776 2.902 . 0 0 "[ . 1 . 2]" 1
957 1 11 GLN QE 1 18 HIS H . . 4.080 3.253 2.908 3.482 . 0 0 "[ . 1 . 2]" 1
958 1 13 HIS H 1 13 HIS QB . . 2.980 2.274 2.259 2.307 . 0 0 "[ . 1 . 2]" 1
959 1 13 HIS QB 1 13 HIS HD2 . . 3.320 2.965 2.627 3.294 . 0 0 "[ . 1 . 2]" 1
960 1 13 HIS QB 1 14 ASN H . . 4.440 3.806 3.795 3.814 . 0 0 "[ . 1 . 2]" 1
961 1 14 ASN H 1 14 ASN QB . . 3.630 2.850 2.839 2.871 . 0 0 "[ . 1 . 2]" 1
962 1 14 ASN HA 1 61 LYS QD . . 5.090 5.009 4.838 5.085 . 0 0 "[ . 1 . 2]" 1
963 1 14 ASN QB 1 62 VAL QG . . 4.320 4.238 3.862 4.330 0.010 15 0 "[ . 1 . 2]" 1
964 1 14 ASN HD21 1 61 LYS QD . . 4.910 4.567 4.086 4.893 . 0 0 "[ . 1 . 2]" 1
965 1 14 ASN HD21 1 62 VAL QG . . 3.830 2.810 2.355 3.610 . 0 0 "[ . 1 . 2]" 1
966 1 14 ASN HD22 1 61 LYS QD . . 4.790 4.450 4.150 4.622 . 0 0 "[ . 1 . 2]" 1
967 1 14 ASN HD22 1 61 LYS QE . . 5.150 4.938 4.377 5.149 . 0 0 "[ . 1 . 2]" 1
968 1 14 ASN HD22 1 62 VAL QG . . 3.630 2.404 2.175 2.734 . 0 0 "[ . 1 . 2]" 1
969 1 15 CYS HA 1 16 VAL QG . . 4.130 3.382 3.302 3.460 . 0 0 "[ . 1 . 2]" 1
970 1 15 CYS HA 1 66 CYS QB . . 3.360 2.923 2.287 3.196 . 0 0 "[ . 1 . 2]" 1
971 1 15 CYS HB3 1 16 VAL QG . . 4.480 3.774 3.651 4.161 . 0 0 "[ . 1 . 2]" 1
972 1 16 VAL H 1 16 VAL QG . . 2.910 1.884 1.852 1.922 . 0 0 "[ . 1 . 2]" 1
973 1 16 VAL H 1 61 LYS QD . . 4.570 4.458 4.255 4.575 0.005 10 0 "[ . 1 . 2]" 1
974 1 16 VAL H 1 66 CYS QB . . 4.160 4.077 3.574 4.176 0.016 13 0 "[ . 1 . 2]" 1
975 1 16 VAL QG 1 17 TYR H . . 4.220 3.522 3.449 3.560 . 0 0 "[ . 1 . 2]" 1
976 1 16 VAL QG 1 48 ALA HA . . 4.020 3.361 3.062 3.559 . 0 0 "[ . 1 . 2]" 1
977 1 16 VAL QG 1 48 ALA MB . . 3.040 2.657 2.509 2.791 . 0 0 "[ . 1 . 2]" 1
978 1 16 VAL QG 1 61 LYS H . . 5.310 5.151 4.920 5.310 . 20 0 "[ . 1 . 2]" 1
979 1 16 VAL QG 1 61 LYS HA . . 4.720 4.301 4.156 4.407 . 0 0 "[ . 1 . 2]" 1
980 1 16 VAL QG 1 61 LYS QB . . 4.220 3.289 2.961 3.835 . 0 0 "[ . 1 . 2]" 1
981 1 16 VAL QG 1 61 LYS QG . . 4.350 3.099 2.011 3.536 . 0 0 "[ . 1 . 2]" 1
982 1 16 VAL QG 1 61 LYS QD . . 3.900 2.350 1.971 2.960 . 0 0 "[ . 1 . 2]" 1
983 1 17 TYR H 1 17 TYR QB . . 3.620 2.162 2.094 2.200 . 0 0 "[ . 1 . 2]" 1
984 1 17 TYR HA 1 18 HIS QB . . 4.210 4.108 4.022 4.161 . 0 0 "[ . 1 . 2]" 1
985 1 17 TYR QB 1 28 LEU QD . . 3.710 2.534 2.389 2.793 . 0 0 "[ . 1 . 2]" 1
986 1 17 TYR QB 1 49 CYS H . . 4.240 3.267 3.064 3.405 . 0 0 "[ . 1 . 2]" 1
987 1 17 TYR QD 1 28 LEU QD . . 3.360 2.762 2.087 3.045 . 0 0 "[ . 1 . 2]" 1
988 1 17 TYR QE 1 28 LEU QD . . 3.640 3.103 2.268 3.442 . 0 0 "[ . 1 . 2]" 1
989 1 18 HIS H 1 18 HIS QB . . 3.010 2.253 2.193 2.314 . 0 0 "[ . 1 . 2]" 1
990 1 18 HIS QB 1 18 HIS HD2 . . 3.120 2.776 2.624 3.061 . 0 0 "[ . 1 . 2]" 1
991 1 18 HIS QB 1 19 CYS H . . 4.330 3.908 3.872 3.943 . 0 0 "[ . 1 . 2]" 1
992 1 20 PHE H 1 24 TYR QB . . 4.200 2.946 2.784 3.093 . 0 0 "[ . 1 . 2]" 1
993 1 20 PHE QB 1 21 ARG H . . 3.770 2.652 2.527 2.753 . 0 0 "[ . 1 . 2]" 1
994 1 20 PHE QB 1 21 ARG QG . . 3.580 2.841 2.436 3.366 . 0 0 "[ . 1 . 2]" 1
995 1 21 ARG H 1 24 TYR QB . . 3.610 2.372 2.186 2.538 . 0 0 "[ . 1 . 2]" 1
996 1 22 ASP H 1 22 ASP QB . . 3.280 2.323 2.190 2.563 . 0 0 "[ . 1 . 2]" 1
997 1 22 ASP HA 1 22 ASP QB . . 2.650 2.312 2.176 2.459 . 0 0 "[ . 1 . 2]" 1
998 1 22 ASP HA 1 25 CYS QB . . 3.840 2.929 2.745 3.093 . 0 0 "[ . 1 . 2]" 1
999 1 22 ASP QB 1 23 SER H . . 3.430 2.944 2.427 3.441 0.011 12 0 "[ . 1 . 2]" 1
1000 1 22 ASP QB 1 38 GLU HA . . 4.330 3.066 2.405 3.925 . 0 0 "[ . 1 . 2]" 1
1001 1 22 ASP QB 1 38 GLU HB2 . . 4.150 3.642 3.090 4.160 0.010 16 0 "[ . 1 . 2]" 1
1002 1 22 ASP QB 1 38 GLU HB3 . . 5.340 4.239 3.661 5.145 . 0 0 "[ . 1 . 2]" 1
1003 1 22 ASP QB 1 39 CYS H . . 4.230 2.950 2.370 3.567 . 0 0 "[ . 1 . 2]" 1
1004 1 23 SER H 1 23 SER QB . . 3.040 2.406 2.201 2.918 . 0 0 "[ . 1 . 2]" 1
1005 1 23 SER HA 1 23 SER QB . . 2.450 2.354 2.160 2.445 . 0 0 "[ . 1 . 2]" 1
1006 1 23 SER QB 1 24 TYR H . . 3.790 2.777 2.647 3.129 . 0 0 "[ . 1 . 2]" 1
1007 1 23 SER QB 1 25 CYS H . . 5.340 5.156 5.016 5.342 0.002 17 0 "[ . 1 . 2]" 1
1008 1 24 TYR H 1 24 TYR QB . . 2.700 2.249 2.218 2.273 . 0 0 "[ . 1 . 2]" 1
1009 1 24 TYR H 1 25 CYS QB . . 5.090 4.434 4.329 4.519 . 0 0 "[ . 1 . 2]" 1
1010 1 24 TYR QB 1 25 CYS H . . 3.110 2.179 2.147 2.247 . 0 0 "[ . 1 . 2]" 1
1011 1 24 TYR QB 1 26 ASN H . . 4.960 4.401 4.351 4.463 . 0 0 "[ . 1 . 2]" 1
1012 1 24 TYR QD 1 25 CYS QB . . 4.090 3.716 3.275 4.050 . 0 0 "[ . 1 . 2]" 1
1013 1 24 TYR QD 1 28 LEU QD . . 4.290 2.714 2.361 3.168 . 0 0 "[ . 1 . 2]" 1
1014 1 24 TYR QE 1 28 LEU QD . . 3.370 2.383 1.921 2.952 . 0 0 "[ . 1 . 2]" 1
1015 1 25 CYS H 1 25 CYS QB . . 3.130 2.241 2.236 2.246 . 0 0 "[ . 1 . 2]" 1
1016 1 25 CYS H 1 28 LEU QB . . 5.340 4.085 4.071 4.094 . 0 0 "[ . 1 . 2]" 1
1017 1 25 CYS H 1 28 LEU QD . . 4.310 4.325 4.307 4.334 0.024 16 0 "[ . 1 . 2]" 1
1018 1 25 CYS HA 1 28 LEU QB . . 3.680 1.955 1.947 1.960 . 0 0 "[ . 1 . 2]" 1
1019 1 25 CYS HA 1 28 LEU QD . . 3.420 2.404 2.346 2.451 . 0 0 "[ . 1 . 2]" 1
1020 1 25 CYS QB 1 26 ASN H . . 3.550 2.740 2.723 2.766 . 0 0 "[ . 1 . 2]" 1
1021 1 25 CYS QB 1 39 CYS HA . . 4.020 3.664 3.565 3.820 . 0 0 "[ . 1 . 2]" 1
1022 1 25 CYS QB 1 49 CYS HA . . 3.400 2.894 2.876 2.922 . 0 0 "[ . 1 . 2]" 1
1023 1 26 ASN H 1 27 ASP QB . . 4.800 4.672 4.648 4.699 . 0 0 "[ . 1 . 2]" 1
1024 1 26 ASN HB3 1 27 ASP QB . . 4.670 3.761 3.583 3.929 . 0 0 "[ . 1 . 2]" 1
1025 1 26 ASN HD22 1 36 SER QB . . 5.190 3.763 3.037 4.981 . 0 0 "[ . 1 . 2]" 1
1026 1 27 ASP H 1 27 ASP QB . . 2.870 2.113 2.065 2.170 . 0 0 "[ . 1 . 2]" 1
1027 1 27 ASP H 1 28 LEU QB . . 4.560 4.189 4.131 4.205 . 0 0 "[ . 1 . 2]" 1
1028 1 27 ASP H 1 28 LEU QD . . 5.440 5.445 5.398 5.458 0.018 16 0 "[ . 1 . 2]" 1
1029 1 27 ASP H 1 30 ILE QG . . 4.630 4.519 4.230 4.647 0.017 1 0 "[ . 1 . 2]" 1
1030 1 27 ASP HA 1 30 ILE QG . . 3.510 2.410 2.034 2.600 . 0 0 "[ . 1 . 2]" 1
1031 1 27 ASP QB 1 28 LEU H . . 3.100 2.755 2.696 2.816 . 0 0 "[ . 1 . 2]" 1
1032 1 27 ASP QB 1 29 CYS H . . 5.340 4.647 4.578 4.678 . 0 0 "[ . 1 . 2]" 1
1033 1 27 ASP QB 1 30 ILE H . . 5.340 4.755 4.612 4.828 . 0 0 "[ . 1 . 2]" 1
1034 1 28 LEU H 1 28 LEU QD . . 3.880 3.710 3.704 3.725 . 0 0 "[ . 1 . 2]" 1
1035 1 28 LEU HA 1 28 LEU QD . . 2.920 2.160 2.117 2.291 . 0 0 "[ . 1 . 2]" 1
1036 1 28 LEU QB 1 29 CYS H . . 3.500 2.816 2.793 2.833 . 0 0 "[ . 1 . 2]" 1
1037 1 28 LEU QB 1 30 ILE H . . 5.280 4.831 4.803 4.876 . 0 0 "[ . 1 . 2]" 1
1038 1 28 LEU QD 1 29 CYS H . . 3.850 3.811 3.777 3.839 . 0 0 "[ . 1 . 2]" 1
1039 1 28 LEU QD 1 29 CYS HA . . 4.610 3.728 3.668 3.785 . 0 0 "[ . 1 . 2]" 1
1040 1 28 LEU QD 1 31 LYS QB . . 4.180 3.273 3.135 3.444 . 0 0 "[ . 1 . 2]" 1
1041 1 28 LEU QD 1 32 HIS HD2 . . 2.870 2.388 2.277 2.546 . 0 0 "[ . 1 . 2]" 1
1042 1 28 LEU QD 1 32 HIS HE1 . . 3.910 3.869 3.696 3.915 0.005 16 0 "[ . 1 . 2]" 1
1043 1 28 LEU QD 1 49 CYS H . . 5.440 5.201 4.987 5.431 . 0 0 "[ . 1 . 2]" 1
1044 1 28 LEU QD 1 49 CYS HB2 . . 4.250 3.266 3.117 3.460 . 0 0 "[ . 1 . 2]" 1
1045 1 28 LEU QD 1 49 CYS HB3 . . 4.000 3.372 3.155 3.670 . 0 0 "[ . 1 . 2]" 1
1046 1 29 CYS H 1 30 ILE QG . . 3.800 3.808 3.772 3.822 0.022 3 0 "[ . 1 . 2]" 1
1047 1 29 CYS HB3 1 52 VAL QG . . 5.440 4.618 4.329 5.221 . 0 0 "[ . 1 . 2]" 1
1048 1 30 ILE H 1 30 ILE QG . . 3.030 1.946 1.933 1.977 . 0 0 "[ . 1 . 2]" 1
1049 1 30 ILE H 1 31 LYS QB . . 5.090 4.491 4.446 4.578 . 0 0 "[ . 1 . 2]" 1
1050 1 30 ILE HA 1 30 ILE QG . . 3.140 2.622 2.447 3.011 . 0 0 "[ . 1 . 2]" 1
1051 1 30 ILE QG 1 30 ILE MG . . 2.900 2.255 2.188 2.320 . 0 0 "[ . 1 . 2]" 1
1052 1 30 ILE MG 1 31 LYS QB . . 4.900 4.345 4.226 4.460 . 0 0 "[ . 1 . 2]" 1
1053 1 30 ILE QG 1 31 LYS H . . 4.020 3.888 3.797 3.952 . 0 0 "[ . 1 . 2]" 1
1054 1 30 ILE QG 1 36 SER HA . . 4.390 3.321 3.030 3.792 . 0 0 "[ . 1 . 2]" 1
1055 1 30 ILE MD 1 36 SER QB . . 5.220 4.433 3.600 4.990 . 0 0 "[ . 1 . 2]" 1
1056 1 31 LYS H 1 31 LYS QB . . 2.780 2.218 2.151 2.247 . 0 0 "[ . 1 . 2]" 1
1057 1 31 LYS HA 1 31 LYS QG . . 3.130 2.335 2.230 2.446 . 0 0 "[ . 1 . 2]" 1
1058 1 31 LYS QB 1 31 LYS QD . . 3.420 2.082 1.962 2.165 . 0 0 "[ . 1 . 2]" 1
1059 1 31 LYS QB 1 32 HIS HD2 . . 3.720 2.472 2.278 2.671 . 0 0 "[ . 1 . 2]" 1
1060 1 31 LYS QB 1 33 GLY H . . 5.250 4.609 4.523 4.682 . 0 0 "[ . 1 . 2]" 1
1061 1 31 LYS QG 1 32 HIS H . . 4.680 3.967 3.766 4.203 . 0 0 "[ . 1 . 2]" 1
1062 1 31 LYS QG 1 32 HIS HD2 . . 4.030 3.766 3.454 4.043 0.013 6 0 "[ . 1 . 2]" 1
1063 1 32 HIS HA 1 58 GLU QG . . 4.720 3.837 3.699 3.998 . 0 0 "[ . 1 . 2]" 1
1064 1 32 HIS HB3 1 58 GLU QG . . 4.440 2.020 1.982 2.140 . 0 0 "[ . 1 . 2]" 1
1065 1 34 ALA H 1 58 GLU QG . . 5.340 5.347 5.321 5.365 0.025 20 0 "[ . 1 . 2]" 1
1066 1 34 ALA MB 1 35 GLU QB . . 4.500 3.953 3.913 3.986 . 0 0 "[ . 1 . 2]" 1
1067 1 34 ALA MB 1 54 LEU QB . . 4.310 3.453 3.405 3.494 . 0 0 "[ . 1 . 2]" 1
1068 1 35 GLU H 1 35 GLU QB . . 3.020 2.150 2.042 2.258 . 0 0 "[ . 1 . 2]" 1
1069 1 35 GLU H 1 35 GLU QG . . 4.070 3.771 3.312 4.043 . 0 0 "[ . 1 . 2]" 1
1070 1 35 GLU H 1 52 VAL QG . . 3.840 2.855 2.370 3.824 . 0 0 "[ . 1 . 2]" 1
1071 1 35 GLU H 1 53 LYS QE . . 4.470 2.467 2.198 2.709 . 0 0 "[ . 1 . 2]" 1
1072 1 35 GLU HA 1 35 GLU QG . . 2.880 2.472 2.191 2.883 0.003 11 0 "[ . 1 . 2]" 1
1073 1 35 GLU QB 1 36 SER H . . 3.220 2.546 2.414 2.650 . 0 0 "[ . 1 . 2]" 1
1074 1 35 GLU QB 1 52 VAL QG . . 3.130 2.171 1.885 2.746 . 0 0 "[ . 1 . 2]" 1
1075 1 35 GLU QB 1 53 LYS HG2 . . 4.250 2.308 2.028 2.541 . 0 0 "[ . 1 . 2]" 1
1076 1 35 GLU QG 1 36 SER H . . 4.720 3.969 3.327 4.510 . 0 0 "[ . 1 . 2]" 1
1077 1 35 GLU QG 1 52 VAL QG . . 4.100 3.386 2.742 4.120 0.020 1 0 "[ . 1 . 2]" 1
1078 1 36 SER H 1 52 VAL QG . . 3.510 2.317 1.917 3.298 . 0 0 "[ . 1 . 2]" 1
1079 1 36 SER QB 1 37 GLY H . . 3.500 2.259 1.940 2.976 . 0 0 "[ . 1 . 2]" 1
1080 1 36 SER QB 1 52 VAL H . . 5.330 4.939 4.506 5.304 . 0 0 "[ . 1 . 2]" 1
1081 1 36 SER QB 1 52 VAL QG . . 4.650 3.098 2.577 3.642 . 0 0 "[ . 1 . 2]" 1
1082 1 37 GLY H 1 52 VAL QG . . 4.340 4.271 4.161 4.350 0.010 20 0 "[ . 1 . 2]" 1
1083 1 37 GLY HA2 1 52 VAL QG . . 4.190 3.656 3.281 3.846 . 0 0 "[ . 1 . 2]" 1
1084 1 37 GLY HA3 1 52 VAL QG . . 4.890 4.768 4.679 4.846 . 0 0 "[ . 1 . 2]" 1
1085 1 38 GLU H 1 38 GLU QG . . 3.170 2.324 2.111 2.475 . 0 0 "[ . 1 . 2]" 1
1086 1 38 GLU H 1 52 VAL QG . . 5.260 5.026 4.336 5.277 0.017 17 0 "[ . 1 . 2]" 1
1087 1 38 GLU HB3 1 38 GLU QG . . 2.540 2.414 2.340 2.484 . 0 0 "[ . 1 . 2]" 1
1088 1 38 GLU QG 1 39 CYS H . . 4.630 3.644 3.401 4.021 . 0 0 "[ . 1 . 2]" 1
1089 1 38 GLU QG 1 50 TRP H . . 4.150 3.826 3.717 3.915 . 0 0 "[ . 1 . 2]" 1
1090 1 38 GLU QG 1 50 TRP HB2 . . 3.960 3.775 3.647 3.967 0.007 9 0 "[ . 1 . 2]" 1
1091 1 38 GLU QG 1 50 TRP HB3 . . 3.820 2.413 2.243 2.514 . 0 0 "[ . 1 . 2]" 1
1092 1 40 LYS H 1 40 LYS QG . . 4.510 3.735 3.630 4.013 . 0 0 "[ . 1 . 2]" 1
1093 1 40 LYS H 1 47 ASN QB . . 4.930 3.653 3.157 4.409 . 0 0 "[ . 1 . 2]" 1
1094 1 40 LYS QE 1 40 LYS QG . . 3.130 2.204 1.987 2.406 . 0 0 "[ . 1 . 2]" 1
1095 1 40 LYS QG 1 41 TRP H . . 3.990 3.745 3.576 3.803 . 0 0 "[ . 1 . 2]" 1
1096 1 40 LYS QD 1 50 TRP HB3 . . 4.510 2.961 2.360 4.515 0.005 14 0 "[ . 1 . 2]" 1
1097 1 40 LYS QE 1 50 TRP HB2 . . 4.690 3.937 1.981 4.575 . 0 0 "[ . 1 . 2]" 1
1098 1 41 TRP H 1 47 ASN QB . . 5.040 4.663 4.297 5.044 0.004 5 0 "[ . 1 . 2]" 1
1099 1 41 TRP HE1 1 46 GLY QA . . 4.070 3.301 2.712 4.073 0.003 8 0 "[ . 1 . 2]" 1
1100 1 41 TRP HZ2 1 44 SER QB . . 4.630 3.263 2.768 3.774 . 0 0 "[ . 1 . 2]" 1
1101 1 43 THR MG 1 45 SER QB . . 5.030 2.950 1.873 4.159 . 0 0 "[ . 1 . 2]" 1
1102 1 45 SER H 1 45 SER QB . . 3.310 2.573 2.367 3.035 . 0 0 "[ . 1 . 2]" 1
1103 1 45 SER QB 1 46 GLY H . . 3.910 3.741 3.622 3.971 0.061 17 0 "[ . 1 . 2]" 1
1104 1 50 TRP HE1 1 52 VAL QG . . 3.470 3.212 2.433 3.518 0.048 19 0 "[ . 1 . 2]" 1
1105 1 50 TRP HZ2 1 52 VAL QG . . 5.160 4.331 4.245 4.434 . 0 0 "[ . 1 . 2]" 1
1106 1 51 CYS HA 1 52 VAL QG . . 3.750 3.612 3.357 3.711 . 0 0 "[ . 1 . 2]" 1
1107 1 51 CYS HB2 1 54 LEU QB . . 3.860 2.807 2.632 2.926 . 0 0 "[ . 1 . 2]" 1
1108 1 51 CYS HB3 1 54 LEU QB . . 4.040 2.532 2.376 2.808 . 0 0 "[ . 1 . 2]" 1
1109 1 52 VAL H 1 52 VAL QG . . 2.910 2.213 2.065 2.628 . 0 0 "[ . 1 . 2]" 1
1110 1 52 VAL HA 1 52 VAL QG . . 2.680 2.199 2.072 2.329 . 0 0 "[ . 1 . 2]" 1
1111 1 52 VAL QG 1 53 LYS H . . 2.990 1.968 1.907 2.162 . 0 0 "[ . 1 . 2]" 1
1112 1 52 VAL QG 1 53 LYS HA . . 3.720 3.605 3.561 3.704 . 0 0 "[ . 1 . 2]" 1
1113 1 52 VAL QG 1 53 LYS HB2 . . 4.000 3.907 3.771 4.014 0.014 2 0 "[ . 1 . 2]" 1
1114 1 52 VAL QG 1 53 LYS HB3 . . 4.600 2.701 2.523 2.741 . 0 0 "[ . 1 . 2]" 1
1115 1 52 VAL QG 1 53 LYS HG2 . . 3.030 2.056 2.002 2.150 . 0 0 "[ . 1 . 2]" 1
1116 1 52 VAL QG 1 53 LYS HG3 . . 4.460 3.148 2.977 3.527 . 0 0 "[ . 1 . 2]" 1
1117 1 52 VAL QG 1 53 LYS HD2 . . 4.560 4.078 3.955 4.266 . 0 0 "[ . 1 . 2]" 1
1118 1 52 VAL QG 1 53 LYS HD3 . . 3.860 3.454 3.310 3.772 . 0 0 "[ . 1 . 2]" 1
1119 1 52 VAL QG 1 53 LYS QE . . 5.170 4.001 3.695 4.570 . 0 0 "[ . 1 . 2]" 1
1120 1 52 VAL QG 1 54 LEU H . . 4.720 4.102 4.030 4.243 . 0 0 "[ . 1 . 2]" 1
1121 1 53 LYS HB2 1 53 LYS QE . . 4.420 3.129 2.874 3.525 . 0 0 "[ . 1 . 2]" 1
1122 1 53 LYS HB3 1 53 LYS QE . . 4.220 4.020 3.926 4.181 . 0 0 "[ . 1 . 2]" 1
1123 1 53 LYS QE 1 53 LYS HG3 . . 3.210 2.013 1.955 2.115 . 0 0 "[ . 1 . 2]" 1
1124 1 53 LYS QE 1 54 LEU HA . . 4.580 4.544 4.468 4.605 0.025 14 0 "[ . 1 . 2]" 1
1125 1 53 LYS QE 1 54 LEU MD1 . . 4.910 4.930 4.916 4.947 0.037 1 0 "[ . 1 . 2]" 1
1126 1 53 LYS QE 1 55 PRO HD3 . . 4.880 4.144 3.933 4.317 . 0 0 "[ . 1 . 2]" 1
1127 1 54 LEU HG 1 58 GLU QB . . 3.610 2.372 2.299 2.434 . 0 0 "[ . 1 . 2]" 1
1128 1 54 LEU HG 1 58 GLU QG . . 4.220 3.013 2.929 3.204 . 0 0 "[ . 1 . 2]" 1
1129 1 54 LEU MD1 1 58 GLU QB . . 3.990 3.272 3.208 3.324 . 0 0 "[ . 1 . 2]" 1
1130 1 54 LEU MD2 1 58 GLU QB . . 4.120 2.638 2.532 2.730 . 0 0 "[ . 1 . 2]" 1
1131 1 54 LEU MD2 1 58 GLU QG . . 4.230 3.606 3.515 3.689 . 0 0 "[ . 1 . 2]" 1
1132 1 55 PRO HA 1 56 LYS QB . . 4.880 4.355 4.162 4.604 . 0 0 "[ . 1 . 2]" 1
1133 1 55 PRO HB2 1 57 SER QB . . 4.660 2.797 2.479 3.430 . 0 0 "[ . 1 . 2]" 1
1134 1 55 PRO HG2 1 58 GLU QG . . 3.730 1.946 1.926 1.987 . 0 0 "[ . 1 . 2]" 1
1135 1 55 PRO HD2 1 58 GLU QG . . 4.470 2.851 2.751 3.058 . 0 0 "[ . 1 . 2]" 1
1136 1 55 PRO HD3 1 58 GLU QG . . 5.210 4.093 4.014 4.234 . 0 0 "[ . 1 . 2]" 1
1137 1 56 LYS H 1 56 LYS QB . . 3.010 2.302 2.079 2.593 . 0 0 "[ . 1 . 2]" 1
1138 1 56 LYS H 1 56 LYS QG . . 3.840 2.548 1.935 3.142 . 0 0 "[ . 1 . 2]" 1
1139 1 56 LYS HA 1 56 LYS QG . . 2.880 2.302 2.031 2.537 . 0 0 "[ . 1 . 2]" 1
1140 1 56 LYS QB 1 57 SER HA . . 4.450 3.884 3.828 3.913 . 0 0 "[ . 1 . 2]" 1
1141 1 56 LYS QG 1 57 SER H . . 4.570 4.312 3.926 4.508 . 0 0 "[ . 1 . 2]" 1
1142 1 57 SER H 1 57 SER QB . . 3.350 2.403 2.174 2.797 . 0 0 "[ . 1 . 2]" 1
1143 1 57 SER H 1 58 GLU QG . . 4.700 4.496 4.456 4.703 0.003 6 0 "[ . 1 . 2]" 1
1144 1 57 SER HA 1 57 SER QB . . 2.530 2.353 2.181 2.506 . 0 0 "[ . 1 . 2]" 1
1145 1 58 GLU H 1 58 GLU QB . . 3.450 2.377 2.305 2.394 . 0 0 "[ . 1 . 2]" 1
1146 1 58 GLU H 1 58 GLU QG . . 3.380 2.426 2.389 2.628 . 0 0 "[ . 1 . 2]" 1
1147 1 58 GLU HA 1 58 GLU QG . . 3.740 2.857 2.822 2.915 . 0 0 "[ . 1 . 2]" 1
1148 1 58 GLU QB 1 59 PRO HD2 . . 3.880 1.973 1.964 1.988 . 0 0 "[ . 1 . 2]" 1
1149 1 58 GLU QG 1 59 PRO HD2 . . 4.570 3.737 3.539 3.780 . 0 0 "[ . 1 . 2]" 1
1150 1 60 ILE HB 1 61 LYS QB . . 5.270 4.088 3.956 4.161 . 0 0 "[ . 1 . 2]" 1
1151 1 61 LYS H 1 61 LYS QB . . 2.860 2.206 2.042 2.249 . 0 0 "[ . 1 . 2]" 1
1152 1 61 LYS HA 1 61 LYS QG . . 3.390 2.896 2.426 3.059 . 0 0 "[ . 1 . 2]" 1
1153 1 61 LYS HA 1 61 LYS QD . . 3.130 2.135 1.985 2.330 . 0 0 "[ . 1 . 2]" 1
1154 1 61 LYS HA 1 62 VAL QG . . 3.800 3.325 3.270 3.370 . 0 0 "[ . 1 . 2]" 1
1155 1 61 LYS QB 1 61 LYS QE . . 4.390 3.514 2.000 3.865 . 0 0 "[ . 1 . 2]" 1
1156 1 61 LYS QB 1 62 VAL H . . 4.480 3.688 3.426 3.798 . 0 0 "[ . 1 . 2]" 1
1157 1 61 LYS QG 1 62 VAL H . . 4.500 3.184 2.751 3.952 . 0 0 "[ . 1 . 2]" 1
1158 1 61 LYS QD 1 62 VAL H . . 3.440 2.169 2.013 2.390 . 0 0 "[ . 1 . 2]" 1
1159 1 61 LYS QE 1 62 VAL H . . 4.770 3.744 2.907 4.438 . 0 0 "[ . 1 . 2]" 1
1160 1 62 VAL H 1 62 VAL QG . . 2.940 1.998 1.924 2.130 . 0 0 "[ . 1 . 2]" 1
1161 1 62 VAL HA 1 62 VAL QG . . 2.940 2.166 2.058 2.237 . 0 0 "[ . 1 . 2]" 1
1162 1 62 VAL HA 1 63 PRO QG . . 4.510 4.023 4.019 4.026 . 0 0 "[ . 1 . 2]" 1
1163 1 62 VAL HA 1 63 PRO QD . . 2.940 2.109 2.105 2.112 . 0 0 "[ . 1 . 2]" 1
1164 1 62 VAL HB 1 63 PRO QD . . 2.930 1.961 1.960 1.966 . 0 0 "[ . 1 . 2]" 1
1165 1 62 VAL QG 1 63 PRO QD . . 3.180 2.554 2.513 2.610 . 0 0 "[ . 1 . 2]" 1
1166 1 63 PRO QB 1 64 GLY H . . 3.530 3.412 3.170 3.464 . 0 0 "[ . 1 . 2]" 1
1167 1 63 PRO QG 1 64 GLY H . . 4.790 4.700 4.592 4.720 . 0 0 "[ . 1 . 2]" 1
1168 1 64 GLY QA 1 65 LYS HA . . 4.360 4.064 4.021 4.111 . 0 0 "[ . 1 . 2]" 1
1169 1 65 LYS HA 1 66 CYS QB . . 4.500 4.085 4.061 4.101 . 0 0 "[ . 1 . 2]" 1
1170 1 66 CYS H 1 66 CYS QB . . 3.510 2.256 2.235 2.282 . 0 0 "[ . 1 . 2]" 1
1171 1 67 HIS QB 1 67 HIS HD2 . . 3.370 2.938 2.646 3.296 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 12
_Distance_constraint_stats_list.Viol_count 210
_Distance_constraint_stats_list.Viol_total 1300.206
_Distance_constraint_stats_list.Viol_max 0.604
_Distance_constraint_stats_list.Viol_rms 0.2374
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2709
_Distance_constraint_stats_list.Viol_average_violations_only 0.3096
_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 15 CYS 21.810 0.604 13 19 [*********1**+**-****]
1 19 CYS 22.854 0.602 14 19 "[******-***** +******]"
1 25 CYS 5.727 0.308 8 0 "[ . 1 . 2]"
1 29 CYS 14.619 0.496 18 0 "[ . 1 . 2]"
1 39 CYS 22.854 0.602 14 19 "[******-***** +******]"
1 49 CYS 5.727 0.308 8 0 "[ . 1 . 2]"
1 51 CYS 14.619 0.496 18 0 "[ . 1 . 2]"
1 66 CYS 21.810 0.604 13 19 [*********1**+**-****]
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 15 CYS SG 1 66 CYS SG . . 1.980 1.985 1.978 2.032 0.052 6 0 "[ . 1 . 2]" 2
2 1 15 CYS SG 1 66 CYS CB . . 2.900 3.442 3.172 3.503 0.603 20 15 "[****.****1 ** *-* *+]" 2
3 1 15 CYS CB 1 66 CYS SG . . 2.900 3.443 2.989 3.504 0.604 13 17 "[******** 1**+*****-2]" 2
4 1 25 CYS SG 1 49 CYS SG . . 1.980 2.000 1.980 2.033 0.053 11 0 "[ . 1 . 2]" 2
5 1 25 CYS SG 1 49 CYS CB . . 2.900 3.166 3.146 3.208 0.308 8 0 "[ . 1 . 2]" 2
6 1 25 CYS CB 1 49 CYS SG . . 2.900 2.900 2.898 2.917 0.017 20 0 "[ . 1 . 2]" 2
7 1 29 CYS SG 1 51 CYS SG . . 1.980 2.001 1.978 2.104 0.124 9 0 "[ . 1 . 2]" 2
8 1 29 CYS SG 1 51 CYS CB . . 2.900 3.198 3.113 3.268 0.368 6 0 "[ . 1 . 2]" 2
9 1 29 CYS CB 1 51 CYS SG . . 2.900 3.311 3.184 3.396 0.496 18 0 "[ . 1 . 2]" 2
10 1 19 CYS SG 1 39 CYS SG . . 1.980 2.035 1.980 2.104 0.124 7 0 "[ . 1 . 2]" 2
11 1 19 CYS CB 1 39 CYS SG . . 2.900 3.402 3.117 3.494 0.594 15 15 "[*** * -***** *+ ** *]" 2
12 1 19 CYS SG 1 39 CYS CB . . 2.900 3.486 3.327 3.502 0.602 14 19 "[************ +*-****]" 2
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