NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
567866 |
2m99   |
19287 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m99
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 1026
_Distance_constraint_stats_list.Viol_count 2391
_Distance_constraint_stats_list.Viol_total 3497.128
_Distance_constraint_stats_list.Viol_max 0.821
_Distance_constraint_stats_list.Viol_rms 0.0388
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0085
_Distance_constraint_stats_list.Viol_average_violations_only 0.0731
_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 1 ARG 12.177 0.821 13 4 "[ *. - * + . 2]"
1 2 PRO 6.032 0.088 10 0 "[ . 1 . 2]"
1 3 ARG 3.705 0.095 17 0 "[ . 1 . 2]"
1 4 PHE 5.637 0.095 17 0 "[ . 1 . 2]"
1 5 CYS 5.290 0.091 17 0 "[ . 1 . 2]"
1 6 GLU 7.605 0.083 15 0 "[ . 1 . 2]"
1 7 LEU 4.625 0.068 8 0 "[ . 1 . 2]"
1 8 ALA 2.197 0.082 12 0 "[ . 1 . 2]"
1 9 PRO 2.530 0.082 12 0 "[ . 1 . 2]"
1 10 SER 2.499 0.075 5 0 "[ . 1 . 2]"
1 11 ALA 0.408 0.063 7 0 "[ . 1 . 2]"
1 12 GLY 0.517 0.076 18 0 "[ . 1 . 2]"
1 14 CYS 0.690 0.085 11 0 "[ . 1 . 2]"
1 15 PHE 0.800 0.080 15 0 "[ . 1 . 2]"
1 16 ALA 0.886 0.085 11 0 "[ . 1 . 2]"
1 17 PHE 4.280 0.080 15 0 "[ . 1 . 2]"
1 18 VAL 5.448 0.080 13 0 "[ . 1 . 2]"
1 19 PRO 2.115 0.066 20 0 "[ . 1 . 2]"
1 20 SER 20.476 0.469 11 0 "[ . 1 . 2]"
1 21 TYR 10.438 0.085 15 0 "[ . 1 . 2]"
1 22 TYR 18.039 0.306 20 0 "[ . 1 . 2]"
1 23 TYR 8.052 0.117 3 0 "[ . 1 . 2]"
1 24 ASN 31.816 0.749 6 18 "[*****+******* *-* **]"
1 25 GLN 5.324 0.086 5 0 "[ . 1 . 2]"
1 26 TYR 2.280 0.083 17 0 "[ . 1 . 2]"
1 27 SER 1.668 0.086 5 0 "[ . 1 . 2]"
1 28 ASN 6.007 0.090 3 0 "[ . 1 . 2]"
1 29 THR 30.425 0.749 6 18 "[*****+******* *-* **]"
1 30 CYS 2.916 0.085 15 0 "[ . 1 . 2]"
1 31 HIS 14.597 0.306 20 0 "[ . 1 . 2]"
1 32 SER 1.884 0.079 15 0 "[ . 1 . 2]"
1 33 PHE 23.646 0.469 11 0 "[ . 1 . 2]"
1 34 THR 4.678 0.079 19 0 "[ . 1 . 2]"
1 35 TYR 6.729 0.083 12 0 "[ . 1 . 2]"
1 39 GLY 0.026 0.013 15 0 "[ . 1 . 2]"
1 40 GLY 0.543 0.076 18 0 "[ . 1 . 2]"
1 41 ASN 2.804 0.082 12 0 "[ . 1 . 2]"
1 42 ALA 1.903 0.081 14 0 "[ . 1 . 2]"
1 43 ASN 5.768 0.079 17 0 "[ . 1 . 2]"
1 44 ARG 3.917 0.083 12 0 "[ . 1 . 2]"
1 45 PHE 0.763 0.067 3 0 "[ . 1 . 2]"
1 46 ARG 6.414 0.077 15 0 "[ . 1 . 2]"
1 47 THR 7.305 0.101 20 0 "[ . 1 . 2]"
1 48 ILE 8.076 0.078 2 0 "[ . 1 . 2]"
1 49 ASP 2.928 0.084 5 0 "[ . 1 . 2]"
1 50 GLU 6.753 0.095 7 0 "[ . 1 . 2]"
1 51 CYS 6.232 0.098 9 0 "[ . 1 . 2]"
1 52 ASN 5.225 0.076 20 0 "[ . 1 . 2]"
1 53 ARG 6.562 0.101 20 0 "[ . 1 . 2]"
1 54 THR 7.495 0.117 3 0 "[ . 1 . 2]"
1 55 CYS 2.828 0.087 20 0 "[ . 1 . 2]"
1 56 VAL 6.481 0.091 5 0 "[ . 1 . 2]"
1 57 GLY 4.324 0.649 13 1 "[ . 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 31 HIS HA 1 48 ILE HB . . 5.310 4.633 4.104 5.152 . 0 0 "[ . 1 . 2]" 1
2 1 47 THR HA 1 48 ILE MG . . 4.890 3.762 3.622 3.948 . 0 0 "[ . 1 . 2]" 1
3 1 21 TYR QD 1 48 ILE HB . . 4.860 2.929 2.670 3.229 . 0 0 "[ . 1 . 2]" 1
4 1 47 THR HB 1 48 ILE MG . . 5.200 4.942 4.787 5.124 . 0 0 "[ . 1 . 2]" 1
5 1 47 THR MG 1 48 ILE MG . . 5.100 3.963 3.758 4.153 . 0 0 "[ . 1 . 2]" 1
6 1 48 ILE MG 1 49 ASP HA . . 4.930 3.616 3.392 3.762 . 0 0 "[ . 1 . 2]" 1
7 1 21 TYR HB3 1 48 ILE HB . . 5.500 4.637 4.280 4.921 . 0 0 "[ . 1 . 2]" 1
8 1 48 ILE MG 1 52 ASN HD22 . . 4.780 4.550 4.214 4.826 0.046 9 0 "[ . 1 . 2]" 1
9 1 48 ILE HG12 1 48 ILE MG . . 3.500 2.462 2.391 2.527 . 0 0 "[ . 1 . 2]" 1
10 1 29 THR MG 1 48 ILE MD . . 5.500 4.161 3.700 4.493 . 0 0 "[ . 1 . 2]" 1
11 1 31 HIS HA 1 48 ILE MD . . 5.160 3.788 3.610 3.988 . 0 0 "[ . 1 . 2]" 1
12 1 30 CYS HB2 1 48 ILE MD . . 5.130 2.980 2.329 3.910 . 0 0 "[ . 1 . 2]" 1
13 1 30 CYS HB3 1 48 ILE MD . . 5.130 3.899 2.307 4.643 . 0 0 "[ . 1 . 2]" 1
14 1 21 TYR QD 1 48 ILE MG . . 4.780 4.127 3.855 4.470 . 0 0 "[ . 1 . 2]" 1
15 1 21 TYR QE 1 48 ILE MG . . 4.420 3.038 2.681 3.351 . 0 0 "[ . 1 . 2]" 1
16 1 48 ILE HA 1 48 ILE MD . . 4.280 3.748 3.661 3.830 . 0 0 "[ . 1 . 2]" 1
17 1 4 PHE HA 1 42 ALA MB . . 5.170 3.045 2.654 3.200 . 0 0 "[ . 1 . 2]" 1
18 1 4 PHE QD 1 42 ALA MB . . 4.790 2.507 2.180 2.709 . 0 0 "[ . 1 . 2]" 1
19 1 4 PHE HB2 1 42 ALA MB . . 4.780 2.055 1.968 2.160 . 0 0 "[ . 1 . 2]" 1
20 1 41 ASN HA 1 42 ALA MB . . 5.170 4.095 3.924 4.205 . 0 0 "[ . 1 . 2]" 1
21 1 4 PHE QE 1 42 ALA MB . . 5.240 4.151 3.643 4.411 . 0 0 "[ . 1 . 2]" 1
22 1 18 VAL MG2 1 35 TYR HB2 . . 5.310 3.987 3.733 4.346 . 0 0 "[ . 1 . 2]" 1
23 1 30 CYS HB3 1 48 ILE HG12 . . 5.500 5.061 3.751 5.566 0.066 3 0 "[ . 1 . 2]" 1
24 1 16 ALA HA 1 18 VAL MG2 . . 5.500 4.957 4.698 5.190 . 0 0 "[ . 1 . 2]" 1
25 1 48 ILE HG12 1 52 ASN HD21 . . 5.500 2.365 2.143 2.631 . 0 0 "[ . 1 . 2]" 1
26 1 18 VAL MG2 1 19 PRO HD2 . . 5.040 4.746 4.553 4.840 . 0 0 "[ . 1 . 2]" 1
27 1 18 VAL MG2 1 19 PRO HD3 . . 5.500 5.021 4.903 5.082 . 0 0 "[ . 1 . 2]" 1
28 1 17 PHE HA 1 18 VAL MG2 . . 4.920 3.771 3.669 3.847 . 0 0 "[ . 1 . 2]" 1
29 1 18 VAL MG2 1 19 PRO HA . . 5.130 4.808 4.725 4.861 . 0 0 "[ . 1 . 2]" 1
30 1 17 PHE HB2 1 18 VAL MG2 . . 5.500 5.568 5.540 5.580 0.080 13 0 "[ . 1 . 2]" 1
31 1 17 PHE HB3 1 18 VAL MG2 . . 5.500 5.328 5.256 5.401 . 0 0 "[ . 1 . 2]" 1
32 1 18 VAL MG2 1 35 TYR HB3 . . 5.240 2.428 2.154 2.784 . 0 0 "[ . 1 . 2]" 1
33 1 21 TYR QD 1 48 ILE HG12 . . 5.500 5.551 5.350 5.578 0.078 2 0 "[ . 1 . 2]" 1
34 1 30 CYS HB2 1 48 ILE HG12 . . 5.500 3.908 3.647 4.419 . 0 0 "[ . 1 . 2]" 1
35 1 48 ILE HG12 1 53 ARG H . . 5.500 5.564 5.551 5.574 0.074 20 0 "[ . 1 . 2]" 1
36 1 16 ALA H 1 18 VAL MG2 . . 5.450 5.240 4.881 5.515 0.065 5 0 "[ . 1 . 2]" 1
37 1 48 ILE HG12 1 49 ASP HA . . 4.520 3.778 3.549 3.999 . 0 0 "[ . 1 . 2]" 1
38 1 7 LEU QD 1 43 ASN H . . 4.330 3.071 2.832 3.294 . 0 0 "[ . 1 . 2]" 1
39 1 18 VAL MG1 1 19 PRO HG2 . . 5.440 5.473 5.266 5.506 0.066 20 0 "[ . 1 . 2]" 1
40 1 6 GLU HA 1 7 LEU QD . . 5.180 4.824 4.687 4.971 . 0 0 "[ . 1 . 2]" 1
41 1 18 VAL MG1 1 19 PRO HD2 . . 4.500 3.623 3.407 3.728 . 0 0 "[ . 1 . 2]" 1
42 1 52 ASN QB 1 56 VAL MG1 . . 5.050 2.629 2.442 2.763 . 0 0 "[ . 1 . 2]" 1
43 1 7 LEU QD 1 42 ALA MB . . 4.280 2.054 1.984 2.102 . 0 0 "[ . 1 . 2]" 1
44 1 33 PHE HB2 1 34 THR MG . . 5.500 4.660 4.422 4.892 . 0 0 "[ . 1 . 2]" 1
45 1 33 PHE HA 1 34 THR MG . . 4.940 3.696 3.491 3.927 . 0 0 "[ . 1 . 2]" 1
46 1 7 LEU QD 1 41 ASN HB3 . . 4.960 2.235 2.096 2.428 . 0 0 "[ . 1 . 2]" 1
47 1 3 ARG QD 1 7 LEU QD . . 5.500 3.601 2.305 5.244 . 0 0 "[ . 1 . 2]" 1
48 1 4 PHE HB2 1 7 LEU QD . . 4.930 3.158 3.003 3.431 . 0 0 "[ . 1 . 2]" 1
49 1 7 LEU HA 1 7 LEU QD . . 3.870 2.188 2.122 2.270 . 0 0 "[ . 1 . 2]" 1
50 1 7 LEU QD 1 42 ALA H . . 4.140 2.257 2.050 2.415 . 0 0 "[ . 1 . 2]" 1
51 1 28 ASN HD21 1 56 VAL MG1 . . 4.700 3.160 2.485 3.577 . 0 0 "[ . 1 . 2]" 1
52 1 28 ASN HA 1 56 VAL MG1 . . 4.870 3.769 3.655 3.916 . 0 0 "[ . 1 . 2]" 1
53 1 52 ASN HA 1 56 VAL MG1 . . 5.290 3.661 3.575 3.786 . 0 0 "[ . 1 . 2]" 1
54 1 4 PHE QD 1 7 LEU QD . . 5.490 4.164 3.817 4.378 . 0 0 "[ . 1 . 2]" 1
55 1 4 PHE HA 1 7 LEU QD . . 4.470 2.329 2.129 2.516 . 0 0 "[ . 1 . 2]" 1
56 1 19 PRO HA 1 34 THR MG . . 5.110 3.313 3.087 3.722 . 0 0 "[ . 1 . 2]" 1
57 1 17 PHE HA 1 18 VAL MG1 . . 4.540 4.332 4.175 4.454 . 0 0 "[ . 1 . 2]" 1
58 1 7 LEU QD 1 41 ASN HB2 . . 4.960 3.502 3.249 3.768 . 0 0 "[ . 1 . 2]" 1
59 1 17 PHE QE 1 34 THR MG . . 4.810 2.402 2.046 3.070 . 0 0 "[ . 1 . 2]" 1
60 1 17 PHE QD 1 34 THR MG . . 4.300 3.596 3.031 4.209 . 0 0 "[ . 1 . 2]" 1
61 1 17 PHE HB3 1 18 VAL MG1 . . 4.490 4.553 4.532 4.567 0.077 18 0 "[ . 1 . 2]" 1
62 1 7 LEU QD 1 8 ALA MB . . 4.970 4.553 4.431 4.682 . 0 0 "[ . 1 . 2]" 1
63 1 48 ILE HG13 1 52 ASN QB . . 5.500 2.862 2.654 3.030 . 0 0 "[ . 1 . 2]" 1
64 1 52 ASN QB 1 56 VAL MG2 . . 5.500 2.222 2.140 2.309 . 0 0 "[ . 1 . 2]" 1
65 1 29 THR MG 1 56 VAL MG2 . . 4.380 4.371 4.242 4.468 0.088 14 0 "[ . 1 . 2]" 1
66 1 52 ASN HA 1 56 VAL MG2 . . 4.390 1.996 1.944 2.066 . 0 0 "[ . 1 . 2]" 1
67 1 23 TYR HA 1 56 VAL MG2 . . 5.500 4.821 4.503 5.123 . 0 0 "[ . 1 . 2]" 1
68 1 55 CYS HA 1 56 VAL MG2 . . 5.500 4.968 4.801 5.134 . 0 0 "[ . 1 . 2]" 1
69 1 28 ASN HD22 1 56 VAL MG2 . . 5.500 4.062 3.799 4.419 . 0 0 "[ . 1 . 2]" 1
70 1 25 GLN HA 1 56 VAL MG2 . . 5.500 4.579 4.287 4.824 . 0 0 "[ . 1 . 2]" 1
71 1 55 CYS HB2 1 56 VAL MG2 . . 5.460 3.304 3.154 3.651 . 0 0 "[ . 1 . 2]" 1
72 1 7 LEU QD 1 41 ASN HA . . 5.400 3.780 3.608 4.046 . 0 0 "[ . 1 . 2]" 1
73 1 28 ASN HA 1 29 THR MG . . 5.500 4.749 4.588 4.854 . 0 0 "[ . 1 . 2]" 1
74 1 16 ALA MB 1 18 VAL MG1 . . 4.260 3.330 3.081 3.494 . 0 0 "[ . 1 . 2]" 1
75 1 16 ALA MB 1 17 PHE HB3 . . 5.500 4.920 4.739 5.201 . 0 0 "[ . 1 . 2]" 1
76 1 24 ASN HB3 1 29 THR MG . . 5.130 4.125 3.680 4.438 . 0 0 "[ . 1 . 2]" 1
77 1 14 CYS HA 1 16 ALA MB . . 5.500 5.469 5.234 5.585 0.085 11 0 "[ . 1 . 2]" 1
78 1 16 ALA MB 1 18 VAL MG2 . . 3.370 2.838 2.506 3.188 . 0 0 "[ . 1 . 2]" 1
79 1 16 ALA MB 1 17 PHE HB2 . . 5.500 4.819 4.631 5.000 . 0 0 "[ . 1 . 2]" 1
80 1 46 ARG HG3 1 47 THR MG . . 5.180 4.657 4.472 4.805 . 0 0 "[ . 1 . 2]" 1
81 1 47 THR MG 1 50 GLU H . . 5.340 1.699 1.481 1.816 . 0 0 "[ . 1 . 2]" 1
82 1 46 ARG HA 1 47 THR MG . . 5.290 5.055 4.934 5.120 . 0 0 "[ . 1 . 2]" 1
83 1 47 THR MG 1 51 CYS HA . . 5.500 5.584 5.567 5.598 0.098 9 0 "[ . 1 . 2]" 1
84 1 21 TYR QE 1 47 THR MG . . 5.370 5.196 5.077 5.447 0.077 17 0 "[ . 1 . 2]" 1
85 1 47 THR MG 1 50 GLU QB . . 5.360 2.198 1.980 2.386 . 0 0 "[ . 1 . 2]" 1
86 1 46 ARG HG2 1 47 THR MG . . 5.180 4.595 4.375 4.679 . 0 0 "[ . 1 . 2]" 1
87 1 47 THR MG 1 49 ASP HA . . 4.460 3.856 3.665 3.938 . 0 0 "[ . 1 . 2]" 1
88 1 47 THR MG 1 53 ARG HG2 . . 5.500 5.452 5.334 5.601 0.101 20 0 "[ . 1 . 2]" 1
89 1 9 PRO HG2 1 10 SER HA . . 5.500 5.270 4.860 5.478 . 0 0 "[ . 1 . 2]" 1
90 1 1 ARG QB 1 25 GLN HG3 . . 5.430 5.279 4.488 5.500 0.070 17 0 "[ . 1 . 2]" 1
91 1 25 GLN HG3 1 26 TYR H . . 5.470 4.126 3.848 4.505 . 0 0 "[ . 1 . 2]" 1
92 1 8 ALA MB 1 10 SER HA . . 4.910 4.622 4.387 4.864 . 0 0 "[ . 1 . 2]" 1
93 1 8 ALA MB 1 9 PRO HG3 . . 5.460 5.443 5.252 5.542 0.082 12 0 "[ . 1 . 2]" 1
94 1 8 ALA MB 1 9 PRO HD3 . . 4.590 3.986 3.819 4.199 . 0 0 "[ . 1 . 2]" 1
95 1 8 ALA MB 1 9 PRO HD2 . . 4.380 3.223 2.963 3.402 . 0 0 "[ . 1 . 2]" 1
96 1 7 LEU HA 1 8 ALA MB . . 4.470 3.984 3.882 4.082 . 0 0 "[ . 1 . 2]" 1
97 1 1 ARG QG 1 55 CYS HA . . 5.500 4.773 3.309 5.243 . 0 0 "[ . 1 . 2]" 1
98 1 51 CYS HA 1 54 THR MG . . 4.430 2.299 2.033 2.534 . 0 0 "[ . 1 . 2]" 1
99 1 2 PRO HD3 1 54 THR MG . . 5.160 4.563 4.075 4.815 . 0 0 "[ . 1 . 2]" 1
100 1 1 ARG HA 1 54 THR MG . . 5.500 5.508 5.043 5.583 0.083 2 0 "[ . 1 . 2]" 1
101 1 2 PRO HB2 1 54 THR MG . . 5.500 5.420 5.182 5.559 0.059 17 0 "[ . 1 . 2]" 1
102 1 2 PRO HB3 1 54 THR MG . . 5.500 5.496 5.157 5.588 0.088 10 0 "[ . 1 . 2]" 1
103 1 53 ARG H 1 54 THR MG . . 5.320 4.694 4.443 4.852 . 0 0 "[ . 1 . 2]" 1
104 1 54 THR MG 1 56 VAL MG2 . . 5.390 5.108 4.912 5.284 . 0 0 "[ . 1 . 2]" 1
105 1 54 THR MG 1 55 CYS HA . . 4.960 3.983 3.849 4.111 . 0 0 "[ . 1 . 2]" 1
106 1 54 THR MG 1 55 CYS HB3 . . 4.680 4.298 4.148 4.409 . 0 0 "[ . 1 . 2]" 1
107 1 53 ARG QB 1 54 THR MG . . 5.340 5.174 4.268 5.345 0.005 10 0 "[ . 1 . 2]" 1
108 1 7 LEU HB2 1 42 ALA H . . 5.500 3.846 3.691 4.040 . 0 0 "[ . 1 . 2]" 1
109 1 2 PRO HG3 1 4 PHE QD . . 5.290 3.969 3.413 4.576 . 0 0 "[ . 1 . 2]" 1
110 1 2 PRO HG3 1 55 CYS HB3 . . 5.130 5.111 4.981 5.188 0.058 13 0 "[ . 1 . 2]" 1
111 1 2 PRO HG3 1 55 CYS HA . . 5.490 4.234 3.880 4.564 . 0 0 "[ . 1 . 2]" 1
112 1 49 ASP HA 1 53 ARG HG2 . . 5.460 5.150 3.700 5.509 0.049 15 0 "[ . 1 . 2]" 1
113 1 1 ARG QB 1 2 PRO HD3 . . 5.270 4.030 3.734 4.333 . 0 0 "[ . 1 . 2]" 1
114 1 50 GLU HA 1 53 ARG HG2 . . 5.500 2.214 1.972 3.744 . 0 0 "[ . 1 . 2]" 1
115 1 1 ARG QB 1 55 CYS HA . . 5.470 3.066 2.587 3.227 . 0 0 "[ . 1 . 2]" 1
116 1 11 ALA MB 1 12 GLY QA . . 5.500 3.777 3.650 3.874 . 0 0 "[ . 1 . 2]" 1
117 1 10 SER HA 1 11 ALA MB . . 4.460 4.236 4.052 4.443 . 0 0 "[ . 1 . 2]" 1
118 1 11 ALA MB 1 33 PHE QD . . 5.130 4.147 3.559 4.652 . 0 0 "[ . 1 . 2]" 1
119 1 11 ALA MB 1 35 TYR HA . . 4.730 2.274 2.042 2.784 . 0 0 "[ . 1 . 2]" 1
120 1 2 PRO HA 1 3 ARG QG . . 5.470 4.842 3.947 5.544 0.074 14 0 "[ . 1 . 2]" 1
121 1 3 ARG QG 1 7 LEU QD . . 4.350 3.826 3.020 4.331 . 0 0 "[ . 1 . 2]" 1
122 1 2 PRO HG2 1 4 PHE H . . 5.200 3.776 3.501 3.994 . 0 0 "[ . 1 . 2]" 1
123 1 2 PRO HG2 1 3 ARG H . . 4.720 4.734 4.463 4.779 0.059 9 0 "[ . 1 . 2]" 1
124 1 50 GLU QB 1 51 CYS HA . . 5.500 3.877 3.648 4.244 . 0 0 "[ . 1 . 2]" 1
125 1 2 PRO HG2 1 55 CYS HA . . 5.500 4.309 4.083 4.518 . 0 0 "[ . 1 . 2]" 1
126 1 2 PRO HG2 1 4 PHE QE . . 4.940 3.208 2.849 3.501 . 0 0 "[ . 1 . 2]" 1
127 1 4 PHE HA 1 7 LEU HG . . 4.940 2.342 2.157 2.529 . 0 0 "[ . 1 . 2]" 1
128 1 7 LEU HB3 1 9 PRO HA . . 5.500 5.178 4.773 5.549 0.049 18 0 "[ . 1 . 2]" 1
129 1 1 ARG QB 1 55 CYS HB3 . . 4.780 2.529 2.301 2.867 . 0 0 "[ . 1 . 2]" 1
130 1 6 GLU HB2 1 25 GLN HG3 . . 4.540 4.176 3.020 4.601 0.061 15 0 "[ . 1 . 2]" 1
131 1 24 ASN HB2 1 29 THR MG . . 5.130 3.097 2.624 3.722 . 0 0 "[ . 1 . 2]" 1
132 1 2 PRO HD2 1 55 CYS HB3 . . 4.550 2.823 2.603 3.158 . 0 0 "[ . 1 . 2]" 1
133 1 50 GLU QB 1 53 ARG HG2 . . 5.500 4.184 3.891 5.552 0.052 20 0 "[ . 1 . 2]" 1
134 1 6 GLU QG 1 7 LEU HA . . 5.330 3.827 3.494 4.752 . 0 0 "[ . 1 . 2]" 1
135 1 6 GLU QG 1 7 LEU HG . . 4.980 3.913 3.504 4.376 . 0 0 "[ . 1 . 2]" 1
136 1 48 ILE MG 1 49 ASP QB . . 5.500 3.771 3.209 4.358 . 0 0 "[ . 1 . 2]" 1
137 1 21 TYR HB3 1 22 TYR HB2 . . 5.500 5.527 5.149 5.577 0.077 4 0 "[ . 1 . 2]" 1
138 1 49 ASP HA 1 52 ASN QB . . 4.840 4.128 3.967 4.210 . 0 0 "[ . 1 . 2]" 1
139 1 51 CYS H 1 52 ASN QB . . 5.490 4.881 4.709 4.989 . 0 0 "[ . 1 . 2]" 1
140 1 18 VAL HB 1 35 TYR HB3 . . 4.840 4.097 3.795 4.704 . 0 0 "[ . 1 . 2]" 1
141 1 21 TYR HB2 1 51 CYS H . . 6.000 5.555 5.138 6.011 0.011 9 0 "[ . 1 . 2]" 1
142 1 21 TYR HB2 1 48 ILE H . . 5.180 4.919 4.672 5.138 . 0 0 "[ . 1 . 2]" 1
143 1 16 ALA HA 1 17 PHE HB2 . . 5.500 4.223 3.990 4.549 . 0 0 "[ . 1 . 2]" 1
144 1 26 TYR HB3 1 28 ASN H . . 5.440 5.441 5.291 5.498 0.058 7 0 "[ . 1 . 2]" 1
145 1 48 ILE HA 1 50 GLU QB . . 5.260 5.071 4.865 5.288 0.028 14 0 "[ . 1 . 2]" 1
146 1 4 PHE HB3 1 42 ALA MB . . 5.010 3.460 3.334 3.584 . 0 0 "[ . 1 . 2]" 1
147 1 48 ILE HA 1 51 CYS HB2 . . 4.960 3.614 3.091 4.388 . 0 0 "[ . 1 . 2]" 1
148 1 2 PRO HG2 1 4 PHE HB3 . . 5.500 5.273 4.853 5.550 0.050 18 0 "[ . 1 . 2]" 1
149 1 21 TYR QD 1 48 ILE HA . . 5.390 3.549 3.319 3.752 . 0 0 "[ . 1 . 2]" 1
150 1 21 TYR HB3 1 48 ILE HA . . 4.640 3.900 3.712 4.378 . 0 0 "[ . 1 . 2]" 1
151 1 49 ASP QB 1 53 ARG QD . . 4.800 4.156 3.362 4.884 0.084 5 0 "[ . 1 . 2]" 1
152 1 9 PRO HD3 1 22 TYR QD . . 5.450 4.034 3.432 4.708 . 0 0 "[ . 1 . 2]" 1
153 1 22 TYR QD 1 31 HIS HB3 . . 5.500 4.807 4.510 5.252 . 0 0 "[ . 1 . 2]" 1
154 1 22 TYR HB3 1 33 PHE HB2 . . 5.260 4.813 4.611 5.169 . 0 0 "[ . 1 . 2]" 1
155 1 4 PHE HB2 1 5 CYS H . . 4.340 4.265 4.180 4.366 0.026 19 0 "[ . 1 . 2]" 1
156 1 9 PRO HD2 1 22 TYR QD . . 5.500 4.152 3.835 4.538 . 0 0 "[ . 1 . 2]" 1
157 1 1 ARG QB 1 2 PRO HD2 . . 5.230 2.980 2.675 3.256 . 0 0 "[ . 1 . 2]" 1
158 1 2 PRO HD2 1 55 CYS H . . 4.980 4.673 4.440 4.762 . 0 0 "[ . 1 . 2]" 1
159 1 2 PRO HD2 1 54 THR MG . . 4.970 4.056 3.626 4.178 . 0 0 "[ . 1 . 2]" 1
160 1 50 GLU HA 1 54 THR MG . . 5.500 4.344 4.213 4.571 . 0 0 "[ . 1 . 2]" 1
161 1 1 ARG H1 1 2 PRO HD2 . . 4.800 4.411 3.825 4.788 . 0 0 "[ . 1 . 2]" 1
162 1 3 ARG HA 1 3 ARG QD . . 4.910 3.662 2.080 4.005 . 0 0 "[ . 1 . 2]" 1
163 1 53 ARG HA 1 54 THR MG . . 5.450 5.422 5.329 5.503 0.053 8 0 "[ . 1 . 2]" 1
164 1 3 ARG HA 1 4 PHE HA . . 5.350 4.691 4.609 4.751 . 0 0 "[ . 1 . 2]" 1
165 1 2 PRO HG2 1 3 ARG HA . . 5.500 5.442 5.131 5.554 0.054 12 0 "[ . 1 . 2]" 1
166 1 28 ASN HA 1 29 THR HB . . 5.230 4.906 4.797 5.064 . 0 0 "[ . 1 . 2]" 1
167 1 19 PRO HA 1 34 THR HA . . 4.460 2.256 2.115 2.471 . 0 0 "[ . 1 . 2]" 1
168 1 18 VAL MG2 1 34 THR HA . . 5.270 5.299 5.050 5.346 0.076 16 0 "[ . 1 . 2]" 1
169 1 11 ALA MB 1 34 THR HA . . 5.500 5.252 4.815 5.563 0.063 7 0 "[ . 1 . 2]" 1
170 1 34 THR HA 1 35 TYR HA . . 5.150 4.415 4.367 4.447 . 0 0 "[ . 1 . 2]" 1
171 1 19 PRO HD3 1 34 THR HA . . 5.500 5.049 4.717 5.532 0.032 15 0 "[ . 1 . 2]" 1
172 1 2 PRO HA 1 3 ARG HA . . 4.380 4.332 4.285 4.411 0.031 17 0 "[ . 1 . 2]" 1
173 1 1 ARG QB 1 2 PRO HA . . 5.500 4.848 4.518 5.139 . 0 0 "[ . 1 . 2]" 1
174 1 27 SER HA 1 28 ASN HA . . 5.500 5.127 5.040 5.190 . 0 0 "[ . 1 . 2]" 1
175 1 52 ASN HA 1 56 VAL HA . . 5.500 4.280 4.200 4.378 . 0 0 "[ . 1 . 2]" 1
176 1 49 ASP HA 1 50 GLU HA . . 4.830 4.739 4.643 4.818 . 0 0 "[ . 1 . 2]" 1
177 1 52 ASN HA 1 53 ARG HA . . 5.010 4.682 4.636 4.768 . 0 0 "[ . 1 . 2]" 1
178 1 49 ASP HA 1 53 ARG QB . . 5.500 4.390 4.214 5.217 . 0 0 "[ . 1 . 2]" 1
179 1 5 CYS HA 1 7 LEU HG . . 4.790 4.694 4.290 4.842 0.052 4 0 "[ . 1 . 2]" 1
180 1 4 PHE QE 1 5 CYS HA . . 5.500 3.914 3.776 4.163 . 0 0 "[ . 1 . 2]" 1
181 1 4 PHE HB2 1 5 CYS HA . . 5.430 4.918 4.555 5.131 . 0 0 "[ . 1 . 2]" 1
182 1 25 GLN HG2 1 26 TYR HA . . 5.500 3.720 3.420 4.151 . 0 0 "[ . 1 . 2]" 1
183 1 25 GLN HG3 1 26 TYR HA . . 5.500 5.215 4.923 5.458 . 0 0 "[ . 1 . 2]" 1
184 1 9 PRO HA 1 10 SER HA . . 4.850 4.543 4.457 4.780 . 0 0 "[ . 1 . 2]" 1
185 1 6 GLU HA 1 7 LEU HB2 . . 5.500 5.520 5.398 5.563 0.063 4 0 "[ . 1 . 2]" 1
186 1 7 LEU HB2 1 9 PRO HA . . 5.500 5.005 4.779 5.224 . 0 0 "[ . 1 . 2]" 1
187 1 9 PRO HA 1 43 ASN H . . 4.480 4.322 4.052 4.550 0.070 14 0 "[ . 1 . 2]" 1
188 1 6 GLU HA 1 7 LEU HG . . 5.360 5.213 5.072 5.337 . 0 0 "[ . 1 . 2]" 1
189 1 7 LEU HA 1 8 ALA HA . . 4.430 4.405 4.359 4.441 0.011 6 0 "[ . 1 . 2]" 1
190 1 19 PRO HA 1 34 THR HB . . 4.980 4.452 4.126 4.695 . 0 0 "[ . 1 . 2]" 1
191 1 7 LEU HB3 1 8 ALA HA . . 5.160 4.770 4.701 4.854 . 0 0 "[ . 1 . 2]" 1
192 1 18 VAL HB 1 19 PRO HA . . 5.390 5.212 5.073 5.366 . 0 0 "[ . 1 . 2]" 1
193 1 1 ARG HA 1 57 GLY H . . 5.500 5.059 4.599 5.552 0.052 13 0 "[ . 1 . 2]" 1
194 1 17 PHE HA 1 19 PRO HD3 . . 5.500 4.865 4.380 5.547 0.047 12 0 "[ . 1 . 2]" 1
195 1 17 PHE HA 1 34 THR HB . . 5.340 4.715 4.254 5.115 . 0 0 "[ . 1 . 2]" 1
196 1 55 CYS HA 1 56 VAL HA . . 5.030 4.714 4.624 4.841 . 0 0 "[ . 1 . 2]" 1
197 1 11 ALA HA 1 12 GLY QA . . 4.990 4.443 4.378 4.543 . 0 0 "[ . 1 . 2]" 1
198 1 41 ASN HA 1 42 ALA HA . . 4.390 4.236 4.168 4.292 . 0 0 "[ . 1 . 2]" 1
199 1 23 TYR HA 1 30 CYS HA . . 5.340 2.291 2.134 2.575 . 0 0 "[ . 1 . 2]" 1
200 1 48 ILE MD 1 52 ASN HD21 . . 5.020 3.938 3.652 4.180 . 0 0 "[ . 1 . 2]" 1
201 1 22 TYR QE 1 24 ASN HA . . 5.240 3.471 3.003 4.022 . 0 0 "[ . 1 . 2]" 1
202 1 9 PRO HD3 1 22 TYR QE . . 4.670 2.999 2.508 3.413 . 0 0 "[ . 1 . 2]" 1
203 1 22 TYR QE 1 33 PHE HB2 . . 5.490 5.280 4.907 5.548 0.058 12 0 "[ . 1 . 2]" 1
204 1 9 PRO HD2 1 22 TYR QE . . 5.300 2.333 2.099 2.683 . 0 0 "[ . 1 . 2]" 1
205 1 22 TYR QE 1 33 PHE HB3 . . 5.500 5.302 5.085 5.544 0.044 12 0 "[ . 1 . 2]" 1
206 1 22 TYR QE 1 33 PHE QE . . 5.500 4.571 3.888 5.107 . 0 0 "[ . 1 . 2]" 1
207 1 21 TYR QD 1 51 CYS HB2 . . 5.500 5.069 4.507 5.568 0.068 18 0 "[ . 1 . 2]" 1
208 1 21 TYR QD 1 47 THR HA . . 4.460 2.786 2.466 3.329 . 0 0 "[ . 1 . 2]" 1
209 1 21 TYR QD 1 48 ILE MD . . 4.700 3.957 3.731 4.218 . 0 0 "[ . 1 . 2]" 1
210 1 21 TYR QD 1 32 SER HB2 . . 5.420 4.743 4.556 5.016 . 0 0 "[ . 1 . 2]" 1
211 1 21 TYR QD 1 32 SER HB3 . . 5.420 3.910 3.388 4.876 . 0 0 "[ . 1 . 2]" 1
212 1 21 TYR QE 1 47 THR HB . . 5.500 4.594 4.320 5.062 . 0 0 "[ . 1 . 2]" 1
213 1 21 TYR QE 1 48 ILE MD . . 4.350 3.223 2.879 3.690 . 0 0 "[ . 1 . 2]" 1
214 1 21 TYR QE 1 48 ILE HB . . 4.910 2.455 2.292 2.640 . 0 0 "[ . 1 . 2]" 1
215 1 21 TYR QE 1 32 SER HB3 . . 5.020 3.398 3.076 4.941 . 0 0 "[ . 1 . 2]" 1
216 1 21 TYR QE 1 32 SER HB2 . . 5.020 4.541 4.331 4.796 . 0 0 "[ . 1 . 2]" 1
217 1 21 TYR QE 1 47 THR HA . . 4.150 2.794 2.513 3.173 . 0 0 "[ . 1 . 2]" 1
218 1 21 TYR QE 1 48 ILE HA . . 5.500 4.283 4.063 4.531 . 0 0 "[ . 1 . 2]" 1
219 1 26 TYR HA 1 26 TYR QE . . 5.230 4.648 4.475 4.837 . 0 0 "[ . 1 . 2]" 1
220 1 21 TYR QE 1 47 THR H . . 5.200 5.089 4.719 5.270 0.070 17 0 "[ . 1 . 2]" 1
221 1 22 TYR QD 1 23 TYR QD . . 5.200 5.248 5.185 5.281 0.081 4 0 "[ . 1 . 2]" 1
222 1 22 TYR QD 1 31 HIS H . . 5.500 4.355 3.983 4.660 . 0 0 "[ . 1 . 2]" 1
223 1 22 TYR QD 1 33 PHE HB2 . . 5.090 3.664 3.353 3.928 . 0 0 "[ . 1 . 2]" 1
224 1 22 TYR QD 1 43 ASN HD21 . . 5.470 3.763 3.170 4.303 . 0 0 "[ . 1 . 2]" 1
225 1 22 TYR QD 1 33 PHE HB3 . . 5.210 3.340 3.084 3.490 . 0 0 "[ . 1 . 2]" 1
226 1 4 PHE QD 1 43 ASN H . . 5.010 4.666 4.028 4.980 . 0 0 "[ . 1 . 2]" 1
227 1 4 PHE QD 1 5 CYS H . . 4.640 3.506 3.344 3.635 . 0 0 "[ . 1 . 2]" 1
228 1 4 PHE QD 1 7 LEU HB2 . . 5.500 5.450 4.999 5.562 0.062 11 0 "[ . 1 . 2]" 1
229 1 4 PHE QD 1 54 THR MG . . 5.500 4.941 4.759 5.137 . 0 0 "[ . 1 . 2]" 1
230 1 4 PHE QD 1 6 GLU H . . 5.040 5.082 4.953 5.120 0.080 10 0 "[ . 1 . 2]" 1
231 1 22 TYR QD 1 33 PHE QD . . 4.250 3.074 2.839 3.224 . 0 0 "[ . 1 . 2]" 1
232 1 21 TYR HA 1 33 PHE QD . . 5.500 2.684 2.449 2.874 . 0 0 "[ . 1 . 2]" 1
233 1 22 TYR QE 1 33 PHE QD . . 4.830 4.406 3.889 4.679 . 0 0 "[ . 1 . 2]" 1
234 1 22 TYR HB3 1 33 PHE QD . . 5.500 3.617 3.476 3.862 . 0 0 "[ . 1 . 2]" 1
235 1 17 PHE QD 1 18 VAL HA . . 5.500 4.253 3.408 5.003 . 0 0 "[ . 1 . 2]" 1
236 1 33 PHE QD 1 35 TYR HA . . 5.500 4.553 4.361 4.809 . 0 0 "[ . 1 . 2]" 1
237 1 17 PHE QD 1 19 PRO HD3 . . 5.500 3.459 2.012 4.762 . 0 0 "[ . 1 . 2]" 1
238 1 17 PHE QD 1 34 THR HB . . 5.500 3.935 2.920 4.957 . 0 0 "[ . 1 . 2]" 1
239 1 33 PHE QD 1 34 THR HB . . 5.500 5.267 4.848 5.551 0.051 13 0 "[ . 1 . 2]" 1
240 1 1 ARG HE 1 57 GLY HA3 . . 5.500 4.267 3.428 5.449 . 0 0 "[ . 1 . 2]" 1
241 1 22 TYR HB2 1 33 PHE QD . . 4.890 2.252 2.030 2.442 . 0 0 "[ . 1 . 2]" 1
242 1 17 PHE QD 1 34 THR HA . . 5.500 4.713 3.797 5.429 . 0 0 "[ . 1 . 2]" 1
243 1 33 PHE QD 1 34 THR HA . . 5.500 4.611 4.275 4.771 . 0 0 "[ . 1 . 2]" 1
244 1 15 PHE QD 1 16 ALA HA . . 5.500 3.454 3.035 4.444 . 0 0 "[ . 1 . 2]" 1
245 1 28 ASN HD21 1 56 VAL MG2 . . 5.500 3.799 3.540 4.395 . 0 0 "[ . 1 . 2]" 1
246 1 27 SER HB3 1 29 THR H . . 5.080 3.587 3.376 3.791 . 0 0 "[ . 1 . 2]" 1
247 1 33 PHE QE 1 35 TYR HB2 . . 5.350 3.372 3.053 3.835 . 0 0 "[ . 1 . 2]" 1
248 1 22 TYR HB3 1 33 PHE QE . . 5.370 5.011 4.594 5.336 . 0 0 "[ . 1 . 2]" 1
249 1 22 TYR QD 1 33 PHE QE . . 4.750 3.520 3.111 3.841 . 0 0 "[ . 1 . 2]" 1
250 1 22 TYR HB2 1 33 PHE QE . . 5.500 3.662 3.317 3.966 . 0 0 "[ . 1 . 2]" 1
251 1 22 TYR HA 1 33 PHE QE . . 5.500 3.229 2.480 3.606 . 0 0 "[ . 1 . 2]" 1
252 1 23 TYR QE 1 28 ASN H . . 5.320 5.249 4.819 5.396 0.076 16 0 "[ . 1 . 2]" 1
253 1 26 TYR HA 1 26 TYR QD . . 4.350 2.602 2.283 3.039 . 0 0 "[ . 1 . 2]" 1
254 1 9 PRO HG2 1 33 PHE QE . . 5.500 2.738 2.422 3.318 . 0 0 "[ . 1 . 2]" 1
255 1 25 GLN HG2 1 26 TYR QD . . 5.500 3.725 2.843 4.816 . 0 0 "[ . 1 . 2]" 1
256 1 23 TYR HA 1 23 TYR QE . . 5.500 4.662 4.341 4.930 . 0 0 "[ . 1 . 2]" 1
257 1 23 TYR QE 1 55 CYS HA . . 5.500 4.550 4.393 4.720 . 0 0 "[ . 1 . 2]" 1
258 1 23 TYR QE 1 55 CYS HB3 . . 5.500 3.018 2.685 3.175 . 0 0 "[ . 1 . 2]" 1
259 1 21 TYR HB3 1 33 PHE QE . . 5.460 5.035 4.842 5.246 . 0 0 "[ . 1 . 2]" 1
260 1 23 TYR QE 1 54 THR MG . . 5.500 5.596 5.574 5.617 0.117 3 0 "[ . 1 . 2]" 1
261 1 1 ARG QB 1 5 CYS H . . 5.450 5.196 4.583 5.527 0.077 8 0 "[ . 1 . 2]" 1
262 1 3 ARG QG 1 5 CYS H . . 5.500 5.217 4.837 5.591 0.091 17 0 "[ . 1 . 2]" 1
263 1 3 ARG HA 1 5 CYS H . . 5.140 3.780 3.627 3.990 . 0 0 "[ . 1 . 2]" 1
264 1 22 TYR QE 1 23 TYR QD . . 5.380 5.424 5.241 5.483 0.103 3 0 "[ . 1 . 2]" 1
265 1 17 PHE QE 1 19 PRO HD3 . . 5.500 3.607 2.655 4.876 . 0 0 "[ . 1 . 2]" 1
266 1 17 PHE QE 1 34 THR HA . . 5.280 4.370 3.505 4.700 . 0 0 "[ . 1 . 2]" 1
267 1 23 TYR QD 1 55 CYS HB3 . . 5.010 3.791 3.515 4.076 . 0 0 "[ . 1 . 2]" 1
268 1 23 TYR QD 1 25 GLN HA . . 5.500 4.498 4.249 4.689 . 0 0 "[ . 1 . 2]" 1
269 1 6 GLU HA 1 23 TYR QD . . 4.930 3.090 2.681 3.794 . 0 0 "[ . 1 . 2]" 1
270 1 6 GLU HB3 1 23 TYR QD . . 5.500 3.724 2.466 4.295 . 0 0 "[ . 1 . 2]" 1
271 1 4 PHE H 1 6 GLU QG . . 5.500 4.662 4.069 5.333 . 0 0 "[ . 1 . 2]" 1
272 1 17 PHE QE 1 19 PRO HG3 . . 5.500 4.447 3.331 5.557 0.057 15 0 "[ . 1 . 2]" 1
273 1 23 TYR QD 1 56 VAL MG2 . . 5.310 2.877 2.499 3.163 . 0 0 "[ . 1 . 2]" 1
274 1 48 ILE MD 1 52 ASN HD22 . . 5.020 4.972 4.736 5.094 0.074 19 0 "[ . 1 . 2]" 1
275 1 2 PRO HG3 1 4 PHE QE . . 5.370 2.598 2.233 3.178 . 0 0 "[ . 1 . 2]" 1
276 1 7 LEU H 1 43 ASN HB3 . . 5.500 3.437 1.937 4.370 . 0 0 "[ . 1 . 2]" 1
277 1 6 GLU HB2 1 7 LEU H . . 5.150 4.581 4.489 4.665 . 0 0 "[ . 1 . 2]" 1
278 1 4 PHE QE 1 5 CYS HB3 . . 5.500 4.959 3.019 5.563 0.063 7 0 "[ . 1 . 2]" 1
279 1 4 PHE QE 1 5 CYS HB2 . . 5.500 4.341 3.277 5.114 . 0 0 "[ . 1 . 2]" 1
280 1 21 TYR QD 1 47 THR H . . 5.410 3.781 3.398 4.067 . 0 0 "[ . 1 . 2]" 1
281 1 46 ARG HE 1 50 GLU H . . 5.500 4.674 3.347 5.001 . 0 0 "[ . 1 . 2]" 1
282 1 46 ARG HE 1 47 THR HA . . 4.100 4.027 3.738 4.165 0.065 15 0 "[ . 1 . 2]" 1
283 1 5 CYS H 1 6 GLU H . . 4.150 2.559 2.372 2.676 . 0 0 "[ . 1 . 2]" 1
284 1 6 GLU H 1 7 LEU H . . 3.020 2.689 2.465 2.926 . 0 0 "[ . 1 . 2]" 1
285 1 26 TYR QD 1 27 SER H . . 4.810 4.268 3.897 4.692 . 0 0 "[ . 1 . 2]" 1
286 1 27 SER H 1 28 ASN HA . . 5.500 4.290 4.015 4.488 . 0 0 "[ . 1 . 2]" 1
287 1 26 TYR HB3 1 27 SER H . . 5.190 3.825 3.659 4.041 . 0 0 "[ . 1 . 2]" 1
288 1 47 THR H 1 50 GLU H . . 4.460 4.048 3.962 4.156 . 0 0 "[ . 1 . 2]" 1
289 1 50 GLU H 1 54 THR MG . . 5.500 5.585 5.574 5.595 0.095 7 0 "[ . 1 . 2]" 1
290 1 7 LEU HB3 1 42 ALA H . . 5.500 4.291 4.153 4.492 . 0 0 "[ . 1 . 2]" 1
291 1 55 CYS H 1 56 VAL HA . . 5.500 4.726 4.621 4.880 . 0 0 "[ . 1 . 2]" 1
292 1 46 ARG HE 1 49 ASP H . . 5.500 5.555 5.405 5.571 0.071 18 0 "[ . 1 . 2]" 1
293 1 14 CYS QB 1 16 ALA H . . 4.620 4.468 4.190 4.665 0.045 9 0 "[ . 1 . 2]" 1
294 1 16 ALA H 1 17 PHE HB2 . . 5.500 4.924 4.463 5.202 . 0 0 "[ . 1 . 2]" 1
295 1 26 TYR H 1 27 SER HB3 . . 5.500 5.252 4.979 5.526 0.026 19 0 "[ . 1 . 2]" 1
296 1 22 TYR QE 1 43 ASN HD21 . . 5.500 3.676 3.064 4.666 . 0 0 "[ . 1 . 2]" 1
297 1 53 ARG H 1 56 VAL MG1 . . 5.500 5.576 5.554 5.591 0.091 5 0 "[ . 1 . 2]" 1
298 1 7 LEU HB2 1 43 ASN H . . 5.150 2.413 2.293 2.587 . 0 0 "[ . 1 . 2]" 1
299 1 22 TYR QD 1 24 ASN H . . 5.470 4.040 3.787 4.243 . 0 0 "[ . 1 . 2]" 1
300 1 53 ARG H 1 56 VAL MG2 . . 5.500 4.976 4.863 5.079 . 0 0 "[ . 1 . 2]" 1
301 1 49 ASP QB 1 53 ARG H . . 5.500 5.057 4.757 5.357 . 0 0 "[ . 1 . 2]" 1
302 1 49 ASP HA 1 53 ARG H . . 4.520 3.824 3.615 4.081 . 0 0 "[ . 1 . 2]" 1
303 1 1 ARG HD3 1 57 GLY H . . 5.420 4.189 2.896 5.488 0.068 3 0 "[ . 1 . 2]" 1
304 1 22 TYR QD 1 43 ASN HD22 . . 5.470 2.986 2.738 3.690 . 0 0 "[ . 1 . 2]" 1
305 1 17 PHE HA 1 35 TYR H . . 5.500 4.742 4.300 4.960 . 0 0 "[ . 1 . 2]" 1
306 1 28 ASN HA 1 57 GLY H . . 5.030 4.832 4.178 5.093 0.063 17 0 "[ . 1 . 2]" 1
307 1 19 PRO HA 1 35 TYR H . . 3.910 2.756 2.619 3.021 . 0 0 "[ . 1 . 2]" 1
308 1 1 ARG HD2 1 57 GLY H . . 5.420 5.118 3.993 5.488 0.068 10 0 "[ . 1 . 2]" 1
309 1 56 VAL MG2 1 57 GLY H . . 4.770 4.062 3.830 4.210 . 0 0 "[ . 1 . 2]" 1
310 1 48 ILE H 1 48 ILE MD . . 4.860 4.432 4.343 4.504 . 0 0 "[ . 1 . 2]" 1
311 1 7 LEU HG 1 8 ALA H . . 5.210 4.895 4.773 5.007 . 0 0 "[ . 1 . 2]" 1
312 1 24 ASN HB2 1 25 GLN H . . 4.760 4.571 4.446 4.657 . 0 0 "[ . 1 . 2]" 1
313 1 6 GLU HA 1 25 GLN H . . 4.970 4.944 4.551 5.044 0.074 4 0 "[ . 1 . 2]" 1
314 1 35 TYR QE 1 40 GLY H . . 5.500 4.747 3.220 5.116 . 0 0 "[ . 1 . 2]" 1
315 1 51 CYS HB2 1 52 ASN H . . 4.740 3.984 3.876 4.114 . 0 0 "[ . 1 . 2]" 1
316 1 49 ASP QB 1 52 ASN H . . 5.500 5.208 5.008 5.297 . 0 0 "[ . 1 . 2]" 1
317 1 18 VAL H 1 19 PRO HD3 . . 5.210 3.997 3.682 4.455 . 0 0 "[ . 1 . 2]" 1
318 1 10 SER HA 1 41 ASN H . . 5.500 5.513 4.850 5.569 0.069 17 0 "[ . 1 . 2]" 1
319 1 32 SER H 1 33 PHE H . . 4.790 4.636 4.591 4.679 . 0 0 "[ . 1 . 2]" 1
320 1 30 CYS H 1 31 HIS H . . 4.900 4.387 4.321 4.478 . 0 0 "[ . 1 . 2]" 1
321 1 21 TYR H 1 46 ARG HA . . 5.500 3.985 3.399 4.904 . 0 0 "[ . 1 . 2]" 1
322 1 21 TYR QD 1 31 HIS H . . 5.500 3.246 2.872 3.842 . 0 0 "[ . 1 . 2]" 1
323 1 21 TYR H 1 46 ARG H . . 5.290 4.907 4.623 5.265 . 0 0 "[ . 1 . 2]" 1
324 1 21 TYR H 1 21 TYR QE . . 5.500 5.502 5.369 5.577 0.077 17 0 "[ . 1 . 2]" 1
325 1 22 TYR HB2 1 23 TYR H . . 5.030 4.301 4.023 4.483 . 0 0 "[ . 1 . 2]" 1
326 1 23 TYR H 1 24 ASN H . . 5.130 4.541 4.330 4.662 . 0 0 "[ . 1 . 2]" 1
327 1 47 THR H 1 50 GLU QB . . 4.080 3.237 2.971 3.608 . 0 0 "[ . 1 . 2]" 1
328 1 45 PHE H 1 47 THR H . . 5.500 5.268 4.993 5.447 . 0 0 "[ . 1 . 2]" 1
329 1 47 THR H 1 51 CYS HB3 . . 5.500 4.762 3.937 5.280 . 0 0 "[ . 1 . 2]" 1
330 1 46 ARG HG2 1 47 THR H . . 4.830 4.863 4.610 4.890 0.060 18 0 "[ . 1 . 2]" 1
331 1 46 ARG QB 1 47 THR H . . 3.980 3.796 3.624 3.855 . 0 0 "[ . 1 . 2]" 1
332 1 46 ARG HG3 1 47 THR H . . 4.830 4.120 3.920 4.226 . 0 0 "[ . 1 . 2]" 1
333 1 47 THR H 1 48 ILE HA . . 5.500 4.675 4.496 4.800 . 0 0 "[ . 1 . 2]" 1
334 1 47 THR H 1 47 THR MG . . 4.050 2.646 2.484 2.804 . 0 0 "[ . 1 . 2]" 1
335 1 45 PHE HA 1 47 THR H . . 4.570 4.268 3.927 4.632 0.062 2 0 "[ . 1 . 2]" 1
336 1 21 TYR HB3 1 47 THR H . . 5.060 4.497 4.016 4.757 . 0 0 "[ . 1 . 2]" 1
337 1 47 THR H 1 50 GLU QG . . 4.870 4.416 3.809 4.904 0.034 14 0 "[ . 1 . 2]" 1
338 1 47 THR H 1 49 ASP H . . 5.500 4.974 4.874 5.267 . 0 0 "[ . 1 . 2]" 1
339 1 25 GLN H 1 29 THR H . . 5.500 5.056 4.887 5.206 . 0 0 "[ . 1 . 2]" 1
340 1 24 ASN HB3 1 29 THR H . . 4.810 4.469 4.137 4.742 . 0 0 "[ . 1 . 2]" 1
341 1 29 THR H 1 29 THR MG . . 4.240 2.697 2.508 2.803 . 0 0 "[ . 1 . 2]" 1
342 1 25 GLN HA 1 29 THR H . . 5.110 3.846 3.543 4.191 . 0 0 "[ . 1 . 2]" 1
343 1 24 ASN HB2 1 29 THR H . . 4.810 3.612 3.195 4.303 . 0 0 "[ . 1 . 2]" 1
344 1 28 ASN HB3 1 29 THR H . . 4.940 4.424 4.308 4.495 . 0 0 "[ . 1 . 2]" 1
345 1 28 ASN HB2 1 29 THR H . . 4.940 4.687 4.629 4.744 . 0 0 "[ . 1 . 2]" 1
346 1 23 TYR QD 1 29 THR H . . 4.960 4.536 4.180 4.986 0.026 7 0 "[ . 1 . 2]" 1
347 1 29 THR H 1 30 CYS HA . . 5.500 4.635 4.426 4.749 . 0 0 "[ . 1 . 2]" 1
348 1 27 SER HB2 1 29 THR H . . 5.490 5.127 4.908 5.383 . 0 0 "[ . 1 . 2]" 1
349 1 39 GLY H 1 40 GLY H . . 4.820 4.358 3.292 4.649 . 0 0 "[ . 1 . 2]" 1
350 1 10 SER QB 1 12 GLY H . . 5.500 4.310 3.454 4.832 . 0 0 "[ . 1 . 2]" 1
351 1 12 GLY H 1 40 GLY H . . 5.500 5.278 4.877 5.572 0.072 10 0 "[ . 1 . 2]" 1
352 1 11 ALA MB 1 12 GLY H . . 4.010 3.161 2.716 3.375 . 0 0 "[ . 1 . 2]" 1
353 1 10 SER HA 1 12 GLY H . . 4.050 3.259 3.081 3.461 . 0 0 "[ . 1 . 2]" 1
354 1 11 ALA H 1 12 GLY H . . 3.910 2.758 2.490 2.899 . 0 0 "[ . 1 . 2]" 1
355 1 22 TYR HB3 1 43 ASN HD22 . . 5.500 4.604 4.092 5.553 0.053 14 0 "[ . 1 . 2]" 1
356 1 22 TYR HB3 1 43 ASN HD21 . . 5.500 5.453 5.133 5.568 0.068 15 0 "[ . 1 . 2]" 1
357 1 48 ILE HG13 1 52 ASN HD22 . . 5.130 5.171 5.052 5.195 0.065 9 0 "[ . 1 . 2]" 1
358 1 49 ASP HA 1 52 ASN HD22 . . 4.830 2.287 2.061 2.500 . 0 0 "[ . 1 . 2]" 1
359 1 7 LEU H 1 43 ASN HD21 . . 5.500 4.750 3.878 5.560 0.060 12 0 "[ . 1 . 2]" 1
360 1 22 TYR QE 1 43 ASN HD22 . . 5.500 3.150 2.875 4.039 . 0 0 "[ . 1 . 2]" 1
361 1 48 ILE MG 1 52 ASN HD21 . . 4.780 3.693 3.393 3.940 . 0 0 "[ . 1 . 2]" 1
362 1 48 ILE HG12 1 52 ASN HD22 . . 5.500 3.834 3.703 3.972 . 0 0 "[ . 1 . 2]" 1
363 1 48 ILE HG13 1 52 ASN HD21 . . 5.130 3.490 3.409 3.589 . 0 0 "[ . 1 . 2]" 1
364 1 49 ASP HA 1 52 ASN HD21 . . 4.830 2.250 2.141 2.400 . 0 0 "[ . 1 . 2]" 1
365 1 27 SER H 1 29 THR MG . . 5.500 4.061 3.892 4.355 . 0 0 "[ . 1 . 2]" 1
366 1 25 GLN HG2 1 27 SER H . . 5.500 5.162 4.898 5.552 0.052 3 0 "[ . 1 . 2]" 1
367 1 26 TYR HB2 1 27 SER H . . 4.150 2.793 2.494 3.181 . 0 0 "[ . 1 . 2]" 1
368 1 27 SER H 1 29 THR H . . 4.430 3.681 3.453 3.847 . 0 0 "[ . 1 . 2]" 1
369 1 27 SER H 1 28 ASN HB2 . . 5.500 5.080 4.733 5.347 . 0 0 "[ . 1 . 2]" 1
370 1 25 GLN HA 1 27 SER H . . 5.050 3.966 3.727 4.145 . 0 0 "[ . 1 . 2]" 1
371 1 27 SER H 1 28 ASN HB3 . . 5.500 5.431 5.263 5.552 0.052 16 0 "[ . 1 . 2]" 1
372 1 4 PHE HA 1 6 GLU H . . 4.840 3.870 3.758 4.105 . 0 0 "[ . 1 . 2]" 1
373 1 6 GLU H 1 7 LEU QD . . 4.790 3.743 3.491 3.964 . 0 0 "[ . 1 . 2]" 1
374 1 6 GLU H 1 6 GLU QG . . 4.140 2.227 1.830 2.778 . 0 0 "[ . 1 . 2]" 1
375 1 6 GLU H 1 7 LEU HB2 . . 4.980 4.956 4.761 5.041 0.061 5 0 "[ . 1 . 2]" 1
376 1 6 GLU H 1 7 LEU HG . . 4.210 3.486 3.208 3.677 . 0 0 "[ . 1 . 2]" 1
377 1 3 ARG HA 1 6 GLU H . . 5.430 3.362 2.929 3.578 . 0 0 "[ . 1 . 2]" 1
378 1 3 ARG QD 1 6 GLU H . . 5.500 5.203 4.544 5.583 0.083 15 0 "[ . 1 . 2]" 1
379 1 4 PHE HB2 1 6 GLU H . . 5.500 5.524 5.433 5.571 0.071 17 0 "[ . 1 . 2]" 1
380 1 6 GLU H 1 42 ALA MB . . 5.500 5.550 5.390 5.581 0.081 14 0 "[ . 1 . 2]" 1
381 1 22 TYR QE 1 25 GLN QE . . 5.070 3.836 2.858 4.235 . 0 0 "[ . 1 . 2]" 1
382 1 6 GLU HA 1 25 GLN QE . . 4.330 2.918 2.402 3.248 . 0 0 "[ . 1 . 2]" 1
383 1 6 GLU HB3 1 25 GLN QE . . 5.180 3.514 2.488 4.070 . 0 0 "[ . 1 . 2]" 1
384 1 6 GLU HB2 1 25 GLN QE . . 3.980 3.185 1.836 3.695 . 0 0 "[ . 1 . 2]" 1
385 1 28 ASN HA 1 28 ASN HD22 . . 5.500 3.956 3.635 4.578 . 0 0 "[ . 1 . 2]" 1
386 1 51 CYS H 1 54 THR H . . 5.330 4.827 4.671 4.924 . 0 0 "[ . 1 . 2]" 1
387 1 28 ASN HD22 1 56 VAL HA . . 5.500 3.060 2.397 3.652 . 0 0 "[ . 1 . 2]" 1
388 1 28 ASN HD22 1 56 VAL MG1 . . 4.700 2.649 2.425 3.031 . 0 0 "[ . 1 . 2]" 1
389 1 28 ASN HD21 1 56 VAL HA . . 5.500 3.105 2.698 4.570 . 0 0 "[ . 1 . 2]" 1
390 1 28 ASN HD21 1 56 VAL HB . . 5.500 5.450 5.121 5.562 0.062 10 0 "[ . 1 . 2]" 1
391 1 53 ARG HG2 1 54 THR H . . 4.830 2.840 2.513 4.085 . 0 0 "[ . 1 . 2]" 1
392 1 28 ASN HD22 1 56 VAL HB . . 5.500 4.915 4.705 5.223 . 0 0 "[ . 1 . 2]" 1
393 1 10 SER H 1 11 ALA MB . . 5.500 5.021 4.629 5.561 0.061 18 0 "[ . 1 . 2]" 1
394 1 53 ARG QD 1 54 THR H . . 5.500 4.601 4.322 5.049 . 0 0 "[ . 1 . 2]" 1
395 1 52 ASN QB 1 54 THR H . . 5.050 5.047 4.988 5.124 0.074 20 0 "[ . 1 . 2]" 1
396 1 10 SER H 1 35 TYR QD . . 5.460 5.491 5.200 5.535 0.075 5 0 "[ . 1 . 2]" 1
397 1 8 ALA H 1 10 SER H . . 5.500 5.379 5.045 5.554 0.054 3 0 "[ . 1 . 2]" 1
398 1 54 THR H 1 55 CYS HA . . 5.420 5.169 5.070 5.273 . 0 0 "[ . 1 . 2]" 1
399 1 54 THR H 1 54 THR MG . . 4.190 2.392 2.244 2.548 . 0 0 "[ . 1 . 2]" 1
400 1 53 ARG QB 1 54 THR H . . 4.630 3.671 2.587 3.790 . 0 0 "[ . 1 . 2]" 1
401 1 53 ARG HG3 1 54 THR H . . 5.190 3.380 3.128 4.799 . 0 0 "[ . 1 . 2]" 1
402 1 51 CYS HA 1 54 THR H . . 5.170 3.754 3.560 3.895 . 0 0 "[ . 1 . 2]" 1
403 1 9 PRO HD3 1 10 SER H . . 5.500 5.327 4.950 5.524 0.024 15 0 "[ . 1 . 2]" 1
404 1 52 ASN HA 1 54 THR H . . 5.100 4.091 3.983 4.230 . 0 0 "[ . 1 . 2]" 1
405 1 54 THR H 1 56 VAL MG2 . . 5.500 5.254 5.120 5.468 . 0 0 "[ . 1 . 2]" 1
406 1 10 SER H 1 11 ALA HA . . 5.450 5.190 4.945 5.505 0.055 12 0 "[ . 1 . 2]" 1
407 1 52 ASN HA 1 55 CYS H . . 4.870 3.280 3.151 3.454 . 0 0 "[ . 1 . 2]" 1
408 1 55 CYS H 1 56 VAL HB . . 4.940 4.049 3.927 4.219 . 0 0 "[ . 1 . 2]" 1
409 1 54 THR MG 1 55 CYS H . . 4.060 2.753 2.469 2.888 . 0 0 "[ . 1 . 2]" 1
410 1 23 TYR QD 1 55 CYS H . . 5.420 5.238 4.765 5.487 0.067 3 0 "[ . 1 . 2]" 1
411 1 54 THR H 1 55 CYS H . . 3.530 2.508 2.390 2.650 . 0 0 "[ . 1 . 2]" 1
412 1 54 THR HB 1 55 CYS H . . 4.310 4.233 3.991 4.361 0.051 11 0 "[ . 1 . 2]" 1
413 1 1 ARG QB 1 55 CYS H . . 5.500 5.344 4.942 5.571 0.071 5 0 "[ . 1 . 2]" 1
414 1 53 ARG HG2 1 55 CYS H . . 5.500 5.253 5.003 5.587 0.087 20 0 "[ . 1 . 2]" 1
415 1 55 CYS H 1 56 VAL MG2 . . 4.630 3.836 3.619 3.979 . 0 0 "[ . 1 . 2]" 1
416 1 55 CYS H 1 56 VAL MG1 . . 5.350 5.301 5.211 5.411 0.061 9 0 "[ . 1 . 2]" 1
417 1 1 ARG HA 1 55 CYS H . . 5.210 5.220 4.925 5.275 0.065 13 0 "[ . 1 . 2]" 1
418 1 53 ARG H 1 55 CYS H . . 5.150 4.452 3.904 4.616 . 0 0 "[ . 1 . 2]" 1
419 1 51 CYS HA 1 55 CYS H . . 4.860 4.283 4.019 4.509 . 0 0 "[ . 1 . 2]" 1
420 1 53 ARG QB 1 55 CYS H . . 5.480 5.308 4.532 5.509 0.029 10 0 "[ . 1 . 2]" 1
421 1 4 PHE H 1 5 CYS HA . . 5.170 5.140 4.833 5.243 0.073 17 0 "[ . 1 . 2]" 1
422 1 4 PHE H 1 42 ALA MB . . 5.310 4.949 4.819 5.067 . 0 0 "[ . 1 . 2]" 1
423 1 2 PRO HA 1 4 PHE H . . 4.400 4.049 3.892 4.200 . 0 0 "[ . 1 . 2]" 1
424 1 4 PHE H 1 4 PHE QD . . 4.110 2.764 2.570 3.003 . 0 0 "[ . 1 . 2]" 1
425 1 4 PHE H 1 6 GLU H . . 4.500 4.146 3.828 4.322 . 0 0 "[ . 1 . 2]" 1
426 1 3 ARG QD 1 4 PHE H . . 4.080 2.940 1.929 4.175 0.095 17 0 "[ . 1 . 2]" 1
427 1 2 PRO HD2 1 4 PHE H . . 6.000 5.675 5.253 5.945 . 0 0 "[ . 1 . 2]" 1
428 1 3 ARG QG 1 4 PHE H . . 4.320 3.317 2.547 4.412 0.092 15 0 "[ . 1 . 2]" 1
429 1 2 PRO HB2 1 4 PHE H . . 4.250 2.589 2.364 2.642 . 0 0 "[ . 1 . 2]" 1
430 1 4 PHE H 1 4 PHE HB3 . . 3.910 2.523 2.347 2.784 . 0 0 "[ . 1 . 2]" 1
431 1 2 PRO HB3 1 4 PHE H . . 4.250 4.273 4.053 4.310 0.060 14 0 "[ . 1 . 2]" 1
432 1 3 ARG QB 1 4 PHE H . . 4.340 3.761 2.801 4.025 . 0 0 "[ . 1 . 2]" 1
433 1 1 ARG QB 1 57 GLY H . . 5.500 3.934 3.122 5.000 . 0 0 "[ . 1 . 2]" 1
434 1 28 ASN HD22 1 57 GLY H . . 4.680 2.582 1.881 3.119 . 0 0 "[ . 1 . 2]" 1
435 1 55 CYS HB3 1 57 GLY H . . 5.500 5.301 4.978 5.561 0.061 7 0 "[ . 1 . 2]" 1
436 1 28 ASN HD21 1 57 GLY H . . 4.680 3.049 2.050 4.672 . 0 0 "[ . 1 . 2]" 1
437 1 56 VAL H 1 57 GLY H . . 4.390 4.149 3.798 4.435 0.045 15 0 "[ . 1 . 2]" 1
438 1 56 VAL MG1 1 57 GLY H . . 3.760 3.567 3.088 3.830 0.070 2 0 "[ . 1 . 2]" 1
439 1 56 VAL HA 1 57 GLY H . . 3.280 2.158 2.033 2.273 . 0 0 "[ . 1 . 2]" 1
440 1 56 VAL HB 1 57 GLY H . . 4.540 4.534 4.350 4.597 0.057 3 0 "[ . 1 . 2]" 1
441 1 55 CYS HA 1 57 GLY H . . 5.500 4.768 4.162 5.480 . 0 0 "[ . 1 . 2]" 1
442 1 4 PHE QD 1 42 ALA H . . 5.500 5.376 4.907 5.574 0.074 8 0 "[ . 1 . 2]" 1
443 1 4 PHE HB2 1 42 ALA H . . 4.890 4.817 4.611 4.941 0.051 14 0 "[ . 1 . 2]" 1
444 1 41 ASN HB2 1 42 ALA H . . 3.750 3.613 3.318 3.797 0.047 2 0 "[ . 1 . 2]" 1
445 1 42 ALA H 1 42 ALA MB . . 3.410 2.170 2.129 2.216 . 0 0 "[ . 1 . 2]" 1
446 1 41 ASN H 1 42 ALA H . . 5.100 4.435 4.355 4.561 . 0 0 "[ . 1 . 2]" 1
447 1 41 ASN HB3 1 42 ALA H . . 3.750 2.277 1.990 2.424 . 0 0 "[ . 1 . 2]" 1
448 1 4 PHE HA 1 42 ALA H . . 5.500 5.320 5.062 5.525 0.025 9 0 "[ . 1 . 2]" 1
449 1 1 ARG QB 1 1 ARG HE . . 4.840 3.245 2.260 4.265 . 0 0 "[ . 1 . 2]" 1
450 1 46 ARG HE 1 47 THR H . . 3.210 3.184 1.705 3.276 0.066 17 0 "[ . 1 . 2]" 1
451 1 1 ARG HE 1 57 GLY HA2 . . 5.500 4.814 3.212 5.557 0.057 1 0 "[ . 1 . 2]" 1
452 1 44 ARG HB3 1 44 ARG HE . . 5.500 3.509 1.934 4.871 . 0 0 "[ . 1 . 2]" 1
453 1 44 ARG HB2 1 44 ARG HE . . 5.500 3.889 2.302 4.627 . 0 0 "[ . 1 . 2]" 1
454 1 50 GLU HA 1 53 ARG HE . . 5.500 4.546 2.403 5.544 0.044 20 0 "[ . 1 . 2]" 1
455 1 15 PHE H 1 15 PHE QD . . 4.910 4.246 4.121 4.332 . 0 0 "[ . 1 . 2]" 1
456 1 15 PHE H 1 16 ALA MB . . 4.870 4.426 3.774 4.688 . 0 0 "[ . 1 . 2]" 1
457 1 15 PHE QE 1 17 PHE H . . 5.500 5.430 4.823 5.580 0.080 15 0 "[ . 1 . 2]" 1
458 1 17 PHE H 1 17 PHE QD . . 4.630 4.418 4.324 4.495 . 0 0 "[ . 1 . 2]" 1
459 1 17 PHE H 1 18 VAL MG2 . . 4.290 3.795 3.580 3.998 . 0 0 "[ . 1 . 2]" 1
460 1 16 ALA MB 1 17 PHE H . . 3.380 2.542 2.272 3.064 . 0 0 "[ . 1 . 2]" 1
461 1 16 ALA HA 1 17 PHE H . . 3.350 2.424 2.283 2.578 . 0 0 "[ . 1 . 2]" 1
462 1 17 PHE H 1 17 PHE HB3 . . 3.710 2.766 2.530 3.038 . 0 0 "[ . 1 . 2]" 1
463 1 17 PHE H 1 18 VAL H . . 4.550 3.952 3.875 4.082 . 0 0 "[ . 1 . 2]" 1
464 1 17 PHE H 1 18 VAL MG1 . . 4.400 3.375 3.235 3.470 . 0 0 "[ . 1 . 2]" 1
465 1 16 ALA H 1 17 PHE H . . 4.670 4.276 4.144 4.353 . 0 0 "[ . 1 . 2]" 1
466 1 19 PRO HA 1 34 THR H . . 5.500 4.939 4.743 5.158 . 0 0 "[ . 1 . 2]" 1
467 1 34 THR H 1 34 THR HB . . 3.750 3.662 3.489 3.785 0.035 20 0 "[ . 1 . 2]" 1
468 1 34 THR H 1 35 TYR HB2 . . 5.500 5.370 5.105 5.556 0.056 4 0 "[ . 1 . 2]" 1
469 1 11 ALA MB 1 34 THR H . . 5.500 5.067 4.478 5.562 0.062 2 0 "[ . 1 . 2]" 1
470 1 33 PHE H 1 34 THR H . . 4.850 4.348 4.263 4.405 . 0 0 "[ . 1 . 2]" 1
471 1 33 PHE HB3 1 34 THR H . . 4.000 3.793 3.637 3.875 . 0 0 "[ . 1 . 2]" 1
472 1 33 PHE QE 1 34 THR H . . 4.870 4.373 4.215 4.513 . 0 0 "[ . 1 . 2]" 1
473 1 34 THR H 1 34 THR MG . . 4.230 2.936 2.677 3.161 . 0 0 "[ . 1 . 2]" 1
474 1 33 PHE QD 1 34 THR H . . 4.480 2.553 2.201 2.733 . 0 0 "[ . 1 . 2]" 1
475 1 22 TYR QD 1 34 THR H . . 5.380 5.358 5.118 5.441 0.061 15 0 "[ . 1 . 2]" 1
476 1 33 PHE HB2 1 34 THR H . . 3.920 2.369 2.204 2.496 . 0 0 "[ . 1 . 2]" 1
477 1 22 TYR HB2 1 34 THR H . . 5.500 5.568 5.558 5.579 0.079 19 0 "[ . 1 . 2]" 1
478 1 40 GLY H 1 41 ASN H . . 4.970 4.440 2.728 4.628 . 0 0 "[ . 1 . 2]" 1
479 1 10 SER QB 1 41 ASN H . . 4.600 4.182 3.800 4.663 0.063 9 0 "[ . 1 . 2]" 1
480 1 53 ARG H 1 56 VAL HB . . 5.230 4.636 4.567 4.726 . 0 0 "[ . 1 . 2]" 1
481 1 53 ARG H 1 53 ARG QB . . 3.830 2.289 2.192 2.594 . 0 0 "[ . 1 . 2]" 1
482 1 52 ASN H 1 53 ARG H . . 3.970 2.705 2.432 2.786 . 0 0 "[ . 1 . 2]" 1
483 1 53 ARG H 1 53 ARG HG2 . . 3.660 2.796 1.955 2.931 . 0 0 "[ . 1 . 2]" 1
484 1 53 ARG H 1 54 THR H . . 3.830 2.995 2.724 3.113 . 0 0 "[ . 1 . 2]" 1
485 1 50 GLU HA 1 53 ARG H . . 4.030 3.851 3.496 4.034 0.004 2 0 "[ . 1 . 2]" 1
486 1 52 ASN QB 1 53 ARG H . . 3.740 3.393 3.322 3.476 . 0 0 "[ . 1 . 2]" 1
487 1 51 CYS H 1 53 ARG H . . 4.920 4.522 4.304 4.725 . 0 0 "[ . 1 . 2]" 1
488 1 50 GLU H 1 53 ARG H . . 5.070 4.769 4.665 4.933 . 0 0 "[ . 1 . 2]" 1
489 1 50 GLU QB 1 53 ARG H . . 5.390 5.295 5.142 5.393 0.003 3 0 "[ . 1 . 2]" 1
490 1 21 TYR HA 1 32 SER H . . 5.240 4.510 4.318 4.648 . 0 0 "[ . 1 . 2]" 1
491 1 32 SER H 1 48 ILE HB . . 5.500 5.454 5.243 5.560 0.060 18 0 "[ . 1 . 2]" 1
492 1 32 SER H 1 48 ILE MD . . 5.500 5.177 4.981 5.532 0.032 6 0 "[ . 1 . 2]" 1
493 1 21 TYR QE 1 32 SER H . . 4.860 3.264 2.956 3.687 . 0 0 "[ . 1 . 2]" 1
494 1 31 HIS HB2 1 32 SER H . . 4.420 4.344 4.202 4.431 0.011 2 0 "[ . 1 . 2]" 1
495 1 32 SER H 1 32 SER HB2 . . 4.100 3.436 2.296 3.627 . 0 0 "[ . 1 . 2]" 1
496 1 32 SER H 1 32 SER HB3 . . 4.100 2.817 2.534 3.548 . 0 0 "[ . 1 . 2]" 1
497 1 31 HIS HA 1 32 SER H . . 3.440 2.328 2.255 2.434 . 0 0 "[ . 1 . 2]" 1
498 1 31 HIS HB3 1 32 SER H . . 4.440 3.847 3.684 3.997 . 0 0 "[ . 1 . 2]" 1
499 1 31 HIS H 1 32 SER H . . 4.620 4.351 4.230 4.463 . 0 0 "[ . 1 . 2]" 1
500 1 21 TYR QD 1 32 SER H . . 4.830 3.744 3.462 4.052 . 0 0 "[ . 1 . 2]" 1
501 1 22 TYR H 1 32 SER H . . 5.460 4.702 4.491 4.822 . 0 0 "[ . 1 . 2]" 1
502 1 32 SER H 1 33 PHE QD . . 6.000 5.787 5.574 5.933 . 0 0 "[ . 1 . 2]" 1
503 1 41 ASN HA 1 43 ASN H . . 4.790 4.332 4.163 4.617 . 0 0 "[ . 1 . 2]" 1
504 1 50 GLU H 1 53 ARG HG2 . . 5.470 4.677 4.539 5.148 . 0 0 "[ . 1 . 2]" 1
505 1 48 ILE MG 1 50 GLU H . . 4.760 4.714 4.541 4.837 0.077 20 0 "[ . 1 . 2]" 1
506 1 47 THR HB 1 50 GLU H . . 4.880 4.541 4.270 4.619 . 0 0 "[ . 1 . 2]" 1
507 1 50 GLU H 1 51 CYS HB3 . . 5.390 4.335 4.108 4.632 . 0 0 "[ . 1 . 2]" 1
508 1 47 THR HA 1 50 GLU H . . 4.720 4.785 4.770 4.795 0.075 6 0 "[ . 1 . 2]" 1
509 1 49 ASP QB 1 50 GLU H . . 3.850 2.786 2.640 2.922 . 0 0 "[ . 1 . 2]" 1
510 1 50 GLU H 1 50 GLU QB . . 3.670 2.238 2.087 2.401 . 0 0 "[ . 1 . 2]" 1
511 1 48 ILE HA 1 50 GLU H . . 5.250 4.158 3.934 4.639 . 0 0 "[ . 1 . 2]" 1
512 1 50 GLU H 1 50 GLU QG . . 4.100 3.270 2.554 4.096 . 0 0 "[ . 1 . 2]" 1
513 1 42 ALA MB 1 43 ASN H . . 4.140 3.246 3.122 3.349 . 0 0 "[ . 1 . 2]" 1
514 1 43 ASN H 1 43 ASN HB2 . . 4.010 3.007 2.516 3.687 . 0 0 "[ . 1 . 2]" 1
515 1 41 ASN HB2 1 43 ASN H . . 4.470 3.181 2.869 3.554 . 0 0 "[ . 1 . 2]" 1
516 1 43 ASN H 1 44 ARG H . . 4.330 2.762 2.635 2.913 . 0 0 "[ . 1 . 2]" 1
517 1 43 ASN H 1 43 ASN HB3 . . 4.010 2.360 2.027 2.536 . 0 0 "[ . 1 . 2]" 1
518 1 50 GLU H 1 53 ARG QB . . 5.360 5.415 5.086 5.440 0.080 16 0 "[ . 1 . 2]" 1
519 1 50 GLU H 1 51 CYS HA . . 5.500 4.964 4.840 5.282 . 0 0 "[ . 1 . 2]" 1
520 1 7 LEU HB3 1 43 ASN H . . 4.700 3.865 3.647 4.069 . 0 0 "[ . 1 . 2]" 1
521 1 4 PHE HA 1 43 ASN H . . 5.500 5.384 5.106 5.548 0.048 5 0 "[ . 1 . 2]" 1
522 1 46 ARG H 1 50 GLU H . . 5.500 5.533 5.457 5.572 0.072 15 0 "[ . 1 . 2]" 1
523 1 5 CYS HA 1 43 ASN H . . 5.500 4.829 4.307 5.337 . 0 0 "[ . 1 . 2]" 1
524 1 7 LEU HA 1 43 ASN H . . 5.500 5.370 5.239 5.525 0.025 12 0 "[ . 1 . 2]" 1
525 1 41 ASN HB3 1 43 ASN H . . 4.470 3.010 2.662 3.396 . 0 0 "[ . 1 . 2]" 1
526 1 42 ALA H 1 43 ASN H . . 3.910 3.133 2.945 3.339 . 0 0 "[ . 1 . 2]" 1
527 1 20 SER H 1 21 TYR H . . 5.220 4.409 4.318 4.490 . 0 0 "[ . 1 . 2]" 1
528 1 21 TYR H 1 33 PHE QD . . 5.100 3.970 3.657 4.369 . 0 0 "[ . 1 . 2]" 1
529 1 20 SER QB 1 21 TYR H . . 4.300 2.500 2.131 3.158 . 0 0 "[ . 1 . 2]" 1
530 1 21 TYR H 1 44 ARG HG2 . . 5.500 3.586 3.058 4.968 . 0 0 "[ . 1 . 2]" 1
531 1 21 TYR H 1 33 PHE QE . . 4.910 3.284 2.998 3.994 . 0 0 "[ . 1 . 2]" 1
532 1 21 TYR H 1 44 ARG HA . . 4.470 3.995 3.696 4.270 . 0 0 "[ . 1 . 2]" 1
533 1 21 TYR H 1 21 TYR QD . . 4.580 3.337 3.172 3.471 . 0 0 "[ . 1 . 2]" 1
534 1 21 TYR H 1 44 ARG HG3 . . 5.500 4.670 3.499 5.274 . 0 0 "[ . 1 . 2]" 1
535 1 30 CYS H 1 48 ILE HG12 . . 5.230 4.793 4.378 5.263 0.033 18 0 "[ . 1 . 2]" 1
536 1 30 CYS H 1 31 HIS HB2 . . 5.310 4.701 4.504 4.842 . 0 0 "[ . 1 . 2]" 1
537 1 29 THR MG 1 30 CYS H . . 4.030 2.621 2.396 2.816 . 0 0 "[ . 1 . 2]" 1
538 1 29 THR HB 1 30 CYS H . . 3.700 3.695 3.580 3.764 0.064 3 0 "[ . 1 . 2]" 1
539 1 30 CYS H 1 48 ILE MD . . 4.560 2.788 2.444 3.265 . 0 0 "[ . 1 . 2]" 1
540 1 24 ASN H 1 30 CYS H . . 5.500 4.605 4.480 4.734 . 0 0 "[ . 1 . 2]" 1
541 1 21 TYR QD 1 30 CYS H . . 5.500 5.471 5.136 5.585 0.085 15 0 "[ . 1 . 2]" 1
542 1 30 CYS H 1 48 ILE HG13 . . 4.470 3.569 3.018 4.034 . 0 0 "[ . 1 . 2]" 1
543 1 29 THR H 1 30 CYS H . . 4.930 4.301 4.243 4.380 . 0 0 "[ . 1 . 2]" 1
544 1 2 PRO HD2 1 5 CYS H . . 5.200 4.627 4.341 4.957 . 0 0 "[ . 1 . 2]" 1
545 1 5 CYS H 1 7 LEU QD . . 5.330 4.632 4.459 4.739 . 0 0 "[ . 1 . 2]" 1
546 1 3 ARG H 1 5 CYS H . . 5.500 4.487 4.249 4.667 . 0 0 "[ . 1 . 2]" 1
547 1 4 PHE HB3 1 5 CYS H . . 5.330 4.137 3.904 4.294 . 0 0 "[ . 1 . 2]" 1
548 1 3 ARG QD 1 5 CYS H . . 5.500 4.813 4.397 5.419 . 0 0 "[ . 1 . 2]" 1
549 1 2 PRO HG2 1 5 CYS H . . 4.670 2.986 2.896 3.100 . 0 0 "[ . 1 . 2]" 1
550 1 2 PRO HB3 1 5 CYS H . . 5.120 5.133 5.019 5.180 0.060 1 0 "[ . 1 . 2]" 1
551 1 5 CYS H 1 7 LEU HG . . 5.340 4.512 4.284 4.692 . 0 0 "[ . 1 . 2]" 1
552 1 2 PRO HG3 1 5 CYS H . . 5.220 4.706 4.576 4.794 . 0 0 "[ . 1 . 2]" 1
553 1 5 CYS H 1 6 GLU HB3 . . 4.650 4.688 4.613 4.718 0.068 16 0 "[ . 1 . 2]" 1
554 1 5 CYS H 1 6 GLU QG . . 4.650 4.087 3.410 4.706 0.056 9 0 "[ . 1 . 2]" 1
555 1 2 PRO HB2 1 5 CYS H . . 5.120 3.638 3.504 3.757 . 0 0 "[ . 1 . 2]" 1
556 1 2 PRO HA 1 5 CYS H . . 5.050 4.953 4.845 5.108 0.058 13 0 "[ . 1 . 2]" 1
557 1 5 CYS H 1 54 THR MG . . 5.500 5.562 5.395 5.585 0.085 16 0 "[ . 1 . 2]" 1
558 1 21 TYR QE 1 31 HIS H . . 5.500 4.845 4.283 5.525 0.025 15 0 "[ . 1 . 2]" 1
559 1 21 TYR HA 1 31 HIS H . . 4.800 4.469 4.235 4.762 . 0 0 "[ . 1 . 2]" 1
560 1 31 HIS H 1 48 ILE HB . . 5.500 5.303 4.792 5.561 0.061 3 0 "[ . 1 . 2]" 1
561 1 31 HIS H 1 48 ILE MD . . 5.500 4.797 4.495 5.058 . 0 0 "[ . 1 . 2]" 1
562 1 23 TYR HA 1 31 HIS H . . 4.480 3.725 3.551 3.855 . 0 0 "[ . 1 . 2]" 1
563 1 21 TYR HB3 1 31 HIS H . . 4.800 4.359 3.843 4.841 0.041 6 0 "[ . 1 . 2]" 1
564 1 30 CYS HB2 1 31 HIS H . . 4.680 3.667 3.239 4.383 . 0 0 "[ . 1 . 2]" 1
565 1 30 CYS HB3 1 31 HIS H . . 4.680 2.881 2.292 3.573 . 0 0 "[ . 1 . 2]" 1
566 1 24 ASN H 1 31 HIS H . . 4.920 4.526 4.197 4.808 . 0 0 "[ . 1 . 2]" 1
567 1 31 HIS H 1 48 ILE HG13 . . 5.460 5.504 5.418 5.524 0.064 15 0 "[ . 1 . 2]" 1
568 1 31 HIS H 1 33 PHE HB3 . . 5.500 5.553 5.532 5.564 0.064 15 0 "[ . 1 . 2]" 1
569 1 7 LEU H 1 41 ASN HB3 . . 5.500 5.152 4.863 5.540 0.040 9 0 "[ . 1 . 2]" 1
570 1 5 CYS H 1 7 LEU H . . 4.600 4.473 4.204 4.654 0.054 13 0 "[ . 1 . 2]" 1
571 1 7 LEU H 1 7 LEU HG . . 4.280 2.353 2.143 2.601 . 0 0 "[ . 1 . 2]" 1
572 1 7 LEU H 1 7 LEU HB3 . . 4.150 3.638 3.576 3.697 . 0 0 "[ . 1 . 2]" 1
573 1 5 CYS HA 1 7 LEU H . . 4.500 3.743 3.400 3.900 . 0 0 "[ . 1 . 2]" 1
574 1 6 GLU QG 1 7 LEU H . . 4.680 3.582 3.220 3.860 . 0 0 "[ . 1 . 2]" 1
575 1 7 LEU H 1 7 LEU HB2 . . 4.090 2.521 2.448 2.591 . 0 0 "[ . 1 . 2]" 1
576 1 7 LEU H 1 43 ASN HD22 . . 5.500 5.560 5.551 5.568 0.068 8 0 "[ . 1 . 2]" 1
577 1 7 LEU H 1 43 ASN HB2 . . 5.500 2.676 1.989 3.504 . 0 0 "[ . 1 . 2]" 1
578 1 7 LEU H 1 41 ASN HB2 . . 5.500 5.487 4.981 5.564 0.064 9 0 "[ . 1 . 2]" 1
579 1 7 LEU H 1 8 ALA H . . 4.700 4.565 4.497 4.656 . 0 0 "[ . 1 . 2]" 1
580 1 7 LEU H 1 43 ASN H . . 4.690 4.048 3.763 4.285 . 0 0 "[ . 1 . 2]" 1
581 1 26 TYR H 1 27 SER HB2 . . 5.420 5.193 5.012 5.379 . 0 0 "[ . 1 . 2]" 1
582 1 26 TYR H 1 26 TYR HB3 . . 3.630 3.562 3.516 3.611 . 0 0 "[ . 1 . 2]" 1
583 1 25 GLN H 1 26 TYR H . . 4.160 2.793 2.681 2.891 . 0 0 "[ . 1 . 2]" 1
584 1 26 TYR H 1 26 TYR QE . . 5.150 4.304 4.006 4.654 . 0 0 "[ . 1 . 2]" 1
585 1 22 TYR H 1 31 HIS HA . . 5.270 4.735 4.645 4.821 . 0 0 "[ . 1 . 2]" 1
586 1 22 TYR H 1 33 PHE HB3 . . 5.170 3.787 3.631 3.989 . 0 0 "[ . 1 . 2]" 1
587 1 4 PHE HA 1 7 LEU H . . 5.030 4.150 3.869 4.597 . 0 0 "[ . 1 . 2]" 1
588 1 26 TYR H 1 26 TYR QD . . 4.280 2.745 2.128 3.233 . 0 0 "[ . 1 . 2]" 1
589 1 26 TYR H 1 27 SER H . . 3.650 2.819 2.699 2.945 . 0 0 "[ . 1 . 2]" 1
590 1 25 GLN HG2 1 26 TYR H . . 4.230 2.666 2.179 3.520 . 0 0 "[ . 1 . 2]" 1
591 1 22 TYR H 1 23 TYR H . . 5.410 4.473 4.313 4.610 . 0 0 "[ . 1 . 2]" 1
592 1 22 TYR H 1 30 CYS HA . . 5.010 4.929 4.725 5.079 0.069 20 0 "[ . 1 . 2]" 1
593 1 22 TYR H 1 32 SER HB2 . . 5.500 5.562 5.521 5.579 0.079 15 0 "[ . 1 . 2]" 1
594 1 22 TYR H 1 22 TYR QD . . 4.360 4.237 4.155 4.296 . 0 0 "[ . 1 . 2]" 1
595 1 21 TYR HB2 1 22 TYR H . . 4.570 4.276 4.042 4.381 . 0 0 "[ . 1 . 2]" 1
596 1 22 TYR H 1 32 SER HA . . 4.350 3.126 2.971 3.249 . 0 0 "[ . 1 . 2]" 1
597 1 22 TYR H 1 31 HIS H . . 4.150 2.969 2.859 3.159 . 0 0 "[ . 1 . 2]" 1
598 1 22 TYR H 1 32 SER HB3 . . 5.500 5.340 5.023 5.525 0.025 1 0 "[ . 1 . 2]" 1
599 1 21 TYR QD 1 22 TYR H . . 4.550 3.465 3.096 3.756 . 0 0 "[ . 1 . 2]" 1
600 1 21 TYR HB3 1 22 TYR H . . 4.180 3.164 2.743 3.348 . 0 0 "[ . 1 . 2]" 1
601 1 22 TYR H 1 31 HIS HB3 . . 4.980 4.378 4.218 4.593 . 0 0 "[ . 1 . 2]" 1
602 1 22 TYR H 1 33 PHE QD . . 4.430 2.524 2.321 2.659 . 0 0 "[ . 1 . 2]" 1
603 1 22 TYR H 1 33 PHE QE . . 4.980 3.974 3.560 4.217 . 0 0 "[ . 1 . 2]" 1
604 1 22 TYR H 1 23 TYR HA . . 5.450 5.049 4.870 5.186 . 0 0 "[ . 1 . 2]" 1
605 1 49 ASP H 1 52 ASN QB . . 5.320 5.386 5.372 5.396 0.076 4 0 "[ . 1 . 2]" 1
606 1 26 TYR HB2 1 28 ASN H . . 4.960 4.821 4.579 5.006 0.046 11 0 "[ . 1 . 2]" 1
607 1 48 ILE HG12 1 49 ASP H . . 5.500 3.992 3.679 4.210 . 0 0 "[ . 1 . 2]" 1
608 1 47 THR MG 1 49 ASP H . . 4.340 2.160 1.946 2.507 . 0 0 "[ . 1 . 2]" 1
609 1 48 ILE H 1 49 ASP H . . 3.810 2.534 2.446 2.701 . 0 0 "[ . 1 . 2]" 1
610 1 48 ILE MG 1 49 ASP H . . 3.460 2.505 2.263 2.624 . 0 0 "[ . 1 . 2]" 1
611 1 49 ASP H 1 49 ASP QB . . 3.410 2.383 2.016 2.971 . 0 0 "[ . 1 . 2]" 1
612 1 47 THR HB 1 49 ASP H . . 4.570 4.254 4.112 4.561 . 0 0 "[ . 1 . 2]" 1
613 1 49 ASP H 1 50 GLU H . . 3.990 2.759 2.614 3.009 . 0 0 "[ . 1 . 2]" 1
614 1 49 ASP H 1 52 ASN H . . 5.320 4.703 4.616 4.791 . 0 0 "[ . 1 . 2]" 1
615 1 48 ILE HG13 1 49 ASP H . . 5.270 4.755 4.583 4.857 . 0 0 "[ . 1 . 2]" 1
616 1 49 ASP H 1 51 CYS H . . 4.940 4.128 4.014 4.231 . 0 0 "[ . 1 . 2]" 1
617 1 56 VAL H 1 56 VAL MG1 . . 3.940 3.763 3.717 3.819 . 0 0 "[ . 1 . 2]" 1
618 1 2 PRO HD2 1 56 VAL H . . 5.500 5.535 5.416 5.569 0.069 8 0 "[ . 1 . 2]" 1
619 1 52 ASN H 1 56 VAL H . . 5.490 4.975 4.757 5.086 . 0 0 "[ . 1 . 2]" 1
620 1 53 ARG H 1 56 VAL H . . 5.500 4.796 4.478 5.055 . 0 0 "[ . 1 . 2]" 1
621 1 51 CYS HA 1 56 VAL H . . 5.500 5.526 5.351 5.566 0.066 1 0 "[ . 1 . 2]" 1
622 1 55 CYS HB3 1 56 VAL H . . 4.550 4.053 3.551 4.275 . 0 0 "[ . 1 . 2]" 1
623 1 55 CYS HB2 1 56 VAL H . . 4.540 3.074 2.481 3.456 . 0 0 "[ . 1 . 2]" 1
624 1 52 ASN QB 1 56 VAL H . . 5.050 3.943 3.762 4.100 . 0 0 "[ . 1 . 2]" 1
625 1 56 VAL H 1 56 VAL MG2 . . 3.680 2.560 2.198 2.761 . 0 0 "[ . 1 . 2]" 1
626 1 55 CYS H 1 56 VAL H . . 3.690 1.984 1.824 2.211 . 0 0 "[ . 1 . 2]" 1
627 1 52 ASN HA 1 56 VAL H . . 4.040 2.499 2.201 2.697 . 0 0 "[ . 1 . 2]" 1
628 1 56 VAL H 1 56 VAL HB . . 3.700 2.364 2.297 2.453 . 0 0 "[ . 1 . 2]" 1
629 1 25 GLN H 1 28 ASN H . . 5.270 4.850 4.687 4.996 . 0 0 "[ . 1 . 2]" 1
630 1 26 TYR H 1 28 ASN H . . 4.270 3.973 3.688 4.097 . 0 0 "[ . 1 . 2]" 1
631 1 28 ASN H 1 29 THR MG . . 5.060 4.286 4.113 4.400 . 0 0 "[ . 1 . 2]" 1
632 1 27 SER H 1 28 ASN H . . 3.540 2.274 2.059 2.447 . 0 0 "[ . 1 . 2]" 1
633 1 25 GLN HB2 1 28 ASN H . . 5.500 4.677 4.528 5.056 . 0 0 "[ . 1 . 2]" 1
634 1 28 ASN H 1 29 THR H . . 3.690 2.941 2.843 2.999 . 0 0 "[ . 1 . 2]" 1
635 1 25 GLN HB3 1 28 ASN H . . 5.500 5.282 5.113 5.507 0.007 17 0 "[ . 1 . 2]" 1
636 1 26 TYR HA 1 28 ASN H . . 4.570 4.153 4.027 4.317 . 0 0 "[ . 1 . 2]" 1
637 1 28 ASN H 1 56 VAL MG1 . . 5.450 5.520 5.469 5.540 0.090 3 0 "[ . 1 . 2]" 1
638 1 25 GLN HA 1 28 ASN H . . 4.380 3.013 2.861 3.214 . 0 0 "[ . 1 . 2]" 1
639 1 27 SER HB2 1 28 ASN H . . 4.750 4.426 4.359 4.486 . 0 0 "[ . 1 . 2]" 1
640 1 52 ASN H 1 54 THR MG . . 5.500 4.499 4.394 4.654 . 0 0 "[ . 1 . 2]" 1
641 1 28 ASN H 1 29 THR HA . . 5.450 5.468 5.409 5.507 0.057 13 0 "[ . 1 . 2]" 1
642 1 52 ASN H 1 52 ASN HD21 . . 4.860 2.906 2.687 3.150 . 0 0 "[ . 1 . 2]" 1
643 1 52 ASN H 1 56 VAL HB . . 5.000 4.868 4.735 5.058 0.058 14 0 "[ . 1 . 2]" 1
644 1 52 ASN H 1 52 ASN HD22 . . 4.860 4.198 3.990 4.300 . 0 0 "[ . 1 . 2]" 1
645 1 48 ILE HG12 1 52 ASN H . . 5.190 3.912 3.798 4.026 . 0 0 "[ . 1 . 2]" 1
646 1 51 CYS HB3 1 52 ASN H . . 4.070 2.901 2.444 3.852 . 0 0 "[ . 1 . 2]" 1
647 1 48 ILE MD 1 52 ASN H . . 5.500 5.006 4.790 5.200 . 0 0 "[ . 1 . 2]" 1
648 1 51 CYS H 1 52 ASN H . . 3.850 2.812 2.659 2.942 . 0 0 "[ . 1 . 2]" 1
649 1 52 ASN H 1 53 ARG QB . . 4.860 4.728 4.527 4.821 . 0 0 "[ . 1 . 2]" 1
650 1 52 ASN H 1 52 ASN QB . . 3.520 2.385 2.325 2.448 . 0 0 "[ . 1 . 2]" 1
651 1 20 SER H 1 33 PHE QD . . 5.270 4.213 3.969 4.495 . 0 0 "[ . 1 . 2]" 1
652 1 50 GLU HA 1 52 ASN H . . 5.500 4.528 4.312 4.754 . 0 0 "[ . 1 . 2]" 1
653 1 52 ASN H 1 53 ARG HA . . 5.180 5.236 5.212 5.245 0.065 8 0 "[ . 1 . 2]" 1
654 1 50 GLU QB 1 52 ASN H . . 4.730 4.761 4.606 4.806 0.076 20 0 "[ . 1 . 2]" 1
655 1 48 ILE HG13 1 52 ASN H . . 4.610 3.714 3.406 3.985 . 0 0 "[ . 1 . 2]" 1
656 1 52 ASN H 1 54 THR H . . 4.750 4.004 3.913 4.162 . 0 0 "[ . 1 . 2]" 1
657 1 50 GLU H 1 52 ASN H . . 4.770 3.977 3.829 4.282 . 0 0 "[ . 1 . 2]" 1
658 1 52 ASN H 1 55 CYS H . . 5.500 4.748 4.476 4.901 . 0 0 "[ . 1 . 2]" 1
659 1 48 ILE HA 1 51 CYS H . . 4.330 3.254 3.168 3.316 . 0 0 "[ . 1 . 2]" 1
660 1 20 SER H 1 35 TYR QD . . 5.500 5.292 5.184 5.434 . 0 0 "[ . 1 . 2]" 1
661 1 20 SER H 1 35 TYR HA . . 5.000 5.074 5.063 5.079 0.079 12 0 "[ . 1 . 2]" 1
662 1 52 ASN H 1 53 ARG HG2 . . 5.240 4.584 3.991 4.810 . 0 0 "[ . 1 . 2]" 1
663 1 48 ILE H 1 51 CYS H . . 5.500 4.815 4.735 4.902 . 0 0 "[ . 1 . 2]" 1
664 1 20 SER H 1 34 THR HB . . 5.500 5.495 5.308 5.559 0.059 10 0 "[ . 1 . 2]" 1
665 1 47 THR MG 1 51 CYS H . . 5.500 3.367 3.306 3.415 . 0 0 "[ . 1 . 2]" 1
666 1 47 THR HA 1 51 CYS H . . 5.340 5.290 5.181 5.387 0.047 13 0 "[ . 1 . 2]" 1
667 1 20 SER H 1 34 THR MG . . 4.840 4.571 4.421 4.888 0.048 4 0 "[ . 1 . 2]" 1
668 1 19 PRO HD2 1 20 SER H . . 5.500 5.530 5.436 5.559 0.059 16 0 "[ . 1 . 2]" 1
669 1 19 PRO HD3 1 20 SER H . . 5.500 5.477 5.360 5.558 0.058 15 0 "[ . 1 . 2]" 1
670 1 20 SER H 1 34 THR HA . . 4.860 3.045 2.914 3.203 . 0 0 "[ . 1 . 2]" 1
671 1 49 ASP HA 1 51 CYS H . . 5.500 4.727 4.546 4.932 . 0 0 "[ . 1 . 2]" 1
672 1 51 CYS H 1 52 ASN HA . . 5.500 5.344 5.228 5.434 . 0 0 "[ . 1 . 2]" 1
673 1 50 GLU QG 1 51 CYS H . . 4.220 4.040 3.664 4.301 0.081 10 0 "[ . 1 . 2]" 1
674 1 19 PRO HB2 1 20 SER H . . 4.470 3.686 3.492 3.850 . 0 0 "[ . 1 . 2]" 1
675 1 19 PRO HA 1 20 SER H . . 3.310 2.171 2.132 2.212 . 0 0 "[ . 1 . 2]" 1
676 1 50 GLU QB 1 51 CYS H . . 3.990 2.493 2.269 2.742 . 0 0 "[ . 1 . 2]" 1
677 1 49 ASP QB 1 51 CYS H . . 4.980 4.785 4.653 4.933 . 0 0 "[ . 1 . 2]" 1
678 1 19 PRO HB3 1 20 SER H . . 4.470 4.093 4.005 4.171 . 0 0 "[ . 1 . 2]" 1
679 1 50 GLU H 1 51 CYS H . . 3.930 2.339 2.184 2.680 . 0 0 "[ . 1 . 2]" 1
680 1 48 ILE MG 1 51 CYS H . . 5.230 5.237 5.129 5.304 0.074 19 0 "[ . 1 . 2]" 1
681 1 48 ILE HB 1 51 CYS H . . 5.500 5.541 5.477 5.566 0.066 14 0 "[ . 1 . 2]" 1
682 1 47 THR H 1 51 CYS H . . 4.790 3.955 3.735 4.082 . 0 0 "[ . 1 . 2]" 1
683 1 20 SER H 1 35 TYR HB2 . . 5.460 3.466 3.284 3.673 . 0 0 "[ . 1 . 2]" 1
684 1 48 ILE HG13 1 51 CYS H . . 5.500 5.028 4.916 5.210 . 0 0 "[ . 1 . 2]" 1
685 1 51 CYS H 1 53 ARG HG2 . . 5.500 4.854 4.654 5.498 . 0 0 "[ . 1 . 2]" 1
686 1 48 ILE HG12 1 51 CYS H . . 5.500 5.402 5.190 5.553 0.053 8 0 "[ . 1 . 2]" 1
687 1 33 PHE H 1 34 THR MG . . 5.500 5.120 4.842 5.292 . 0 0 "[ . 1 . 2]" 1
688 1 33 PHE H 1 33 PHE QE . . 4.600 4.431 4.232 4.654 0.054 8 0 "[ . 1 . 2]" 1
689 1 42 ALA MB 1 44 ARG H . . 4.780 4.261 4.109 4.423 . 0 0 "[ . 1 . 2]" 1
690 1 43 ASN HB2 1 44 ARG H . . 4.740 4.447 4.300 4.621 . 0 0 "[ . 1 . 2]" 1
691 1 7 LEU HB2 1 44 ARG H . . 5.250 5.139 4.938 5.295 0.045 3 0 "[ . 1 . 2]" 1
692 1 22 TYR H 1 33 PHE H . . 4.800 3.739 3.599 3.878 . 0 0 "[ . 1 . 2]" 1
693 1 19 PRO HA 1 33 PHE H . . 5.050 4.759 4.552 4.978 . 0 0 "[ . 1 . 2]" 1
694 1 32 SER HB2 1 33 PHE H . . 4.640 3.066 2.857 3.926 . 0 0 "[ . 1 . 2]" 1
695 1 32 SER HB3 1 33 PHE H . . 4.640 3.851 2.870 4.180 . 0 0 "[ . 1 . 2]" 1
696 1 42 ALA HA 1 44 ARG H . . 4.700 3.295 3.098 3.526 . 0 0 "[ . 1 . 2]" 1
697 1 21 TYR HB2 1 33 PHE H . . 5.500 5.553 5.522 5.566 0.066 7 0 "[ . 1 . 2]" 1
698 1 35 TYR QD 1 44 ARG H . . 5.500 5.536 5.401 5.583 0.083 12 0 "[ . 1 . 2]" 1
699 1 32 SER HA 1 33 PHE H . . 3.420 2.229 2.175 2.283 . 0 0 "[ . 1 . 2]" 1
700 1 33 PHE H 1 34 THR HA . . 5.500 4.754 4.623 4.823 . 0 0 "[ . 1 . 2]" 1
701 1 42 ALA H 1 44 ARG H . . 5.300 4.667 4.458 4.780 . 0 0 "[ . 1 . 2]" 1
702 1 21 TYR HA 1 33 PHE H . . 4.230 2.853 2.769 2.901 . 0 0 "[ . 1 . 2]" 1
703 1 21 TYR H 1 33 PHE H . . 4.740 4.603 4.410 4.706 . 0 0 "[ . 1 . 2]" 1
704 1 33 PHE H 1 33 PHE QD . . 4.160 2.435 2.219 2.631 . 0 0 "[ . 1 . 2]" 1
705 1 21 TYR QD 1 33 PHE H . . 4.910 4.883 4.767 4.981 0.071 9 0 "[ . 1 . 2]" 1
706 1 41 ASN HA 1 44 ARG H . . 5.500 5.390 5.129 5.568 0.068 18 0 "[ . 1 . 2]" 1
707 1 21 TYR HB3 1 33 PHE H . . 5.500 5.509 5.254 5.562 0.062 5 0 "[ . 1 . 2]" 1
708 1 22 TYR QD 1 33 PHE H . . 5.500 5.558 5.477 5.579 0.079 10 0 "[ . 1 . 2]" 1
709 1 35 TYR QE 1 44 ARG H . . 4.880 4.285 3.961 4.663 . 0 0 "[ . 1 . 2]" 1
710 1 43 ASN HB3 1 44 ARG H . . 4.740 3.750 3.273 4.472 . 0 0 "[ . 1 . 2]" 1
711 1 20 SER H 1 33 PHE H . . 4.050 3.442 3.221 3.595 . 0 0 "[ . 1 . 2]" 1
712 1 46 ARG H 1 51 CYS H . . 5.500 5.139 4.820 5.280 . 0 0 "[ . 1 . 2]" 1
713 1 45 PHE H 1 46 ARG H . . 5.020 4.389 4.264 4.464 . 0 0 "[ . 1 . 2]" 1
714 1 46 ARG H 1 46 ARG HG2 . . 4.250 3.718 3.631 3.963 . 0 0 "[ . 1 . 2]" 1
715 1 46 ARG H 1 46 ARG QB . . 3.520 3.099 3.021 3.235 . 0 0 "[ . 1 . 2]" 1
716 1 46 ARG H 1 46 ARG HG3 . . 4.250 2.380 2.264 2.656 . 0 0 "[ . 1 . 2]" 1
717 1 46 ARG H 1 47 THR H . . 3.810 2.171 1.961 2.237 . 0 0 "[ . 1 . 2]" 1
718 1 46 ARG H 1 47 THR MG . . 4.760 3.884 3.650 4.031 . 0 0 "[ . 1 . 2]" 1
719 1 46 ARG H 1 47 THR HA . . 4.750 4.798 4.592 4.821 0.071 8 0 "[ . 1 . 2]" 1
720 1 21 TYR HB3 1 46 ARG H . . 5.500 5.451 4.920 5.562 0.062 1 0 "[ . 1 . 2]" 1
721 1 46 ARG H 1 50 GLU QB . . 4.720 3.729 3.484 4.222 . 0 0 "[ . 1 . 2]" 1
722 1 46 ARG H 1 50 GLU QG . . 5.280 4.366 3.799 4.907 . 0 0 "[ . 1 . 2]" 1
723 1 1 ARG H1 1 1 ARG HD3 . . 5.080 4.101 2.040 5.495 0.415 8 0 "[ . 1 . 2]" 1
724 1 1 ARG H1 1 1 ARG QB . . 3.480 2.984 2.326 3.455 . 0 0 "[ . 1 . 2]" 1
725 1 1 ARG H1 1 1 ARG QG . . 3.740 3.033 2.126 3.818 0.078 6 0 "[ . 1 . 2]" 1
726 1 1 ARG H1 1 2 PRO HD3 . . 4.760 4.125 3.157 4.631 . 0 0 "[ . 1 . 2]" 1
727 1 1 ARG H1 1 1 ARG HD2 . . 5.080 4.339 2.084 5.901 0.821 13 4 "[ *. - * + . 2]" 1
728 1 2 PRO HD3 1 3 ARG H . . 5.500 5.516 5.418 5.556 0.056 17 0 "[ . 1 . 2]" 1
729 1 3 ARG H 1 6 GLU H . . 5.500 5.489 5.010 5.566 0.066 12 0 "[ . 1 . 2]" 1
730 1 2 PRO HA 1 3 ARG H . . 3.360 2.228 2.130 2.455 . 0 0 "[ . 1 . 2]" 1
731 1 3 ARG H 1 4 PHE QD . . 5.500 4.632 4.210 4.887 . 0 0 "[ . 1 . 2]" 1
732 1 3 ARG H 1 3 ARG QB . . 3.240 2.360 2.162 2.776 . 0 0 "[ . 1 . 2]" 1
733 1 3 ARG H 1 3 ARG QD . . 4.520 3.189 1.819 4.291 . 0 0 "[ . 1 . 2]" 1
734 1 3 ARG H 1 4 PHE H . . 3.890 2.908 2.298 3.066 . 0 0 "[ . 1 . 2]" 1
735 1 3 ARG H 1 3 ARG QG . . 3.700 2.970 2.154 3.695 . 0 0 "[ . 1 . 2]" 1
736 1 3 ARG H 1 4 PHE HA . . 5.460 5.395 4.962 5.510 0.050 5 0 "[ . 1 . 2]" 1
737 1 3 ARG H 1 4 PHE HB3 . . 5.500 5.083 4.557 5.314 . 0 0 "[ . 1 . 2]" 1
738 1 25 GLN H 1 28 ASN HA . . 5.320 5.348 4.894 5.390 0.070 4 0 "[ . 1 . 2]" 1
739 1 17 PHE HB2 1 18 VAL H . . 4.820 4.561 4.448 4.661 . 0 0 "[ . 1 . 2]" 1
740 1 25 GLN H 1 25 GLN QE . . 4.270 2.029 1.695 2.325 . 0 0 "[ . 1 . 2]" 1
741 1 23 TYR HA 1 25 GLN H . . 5.500 5.218 5.050 5.411 . 0 0 "[ . 1 . 2]" 1
742 1 25 GLN H 1 25 GLN HB2 . . 4.050 3.629 3.538 3.699 . 0 0 "[ . 1 . 2]" 1
743 1 25 GLN H 1 25 GLN HG2 . . 4.180 3.300 2.637 4.013 . 0 0 "[ . 1 . 2]" 1
744 1 25 GLN H 1 25 GLN HB3 . . 4.050 2.680 2.282 3.019 . 0 0 "[ . 1 . 2]" 1
745 1 24 ASN H 1 25 GLN H . . 4.840 3.831 3.744 3.972 . 0 0 "[ . 1 . 2]" 1
746 1 24 ASN HB3 1 25 GLN H . . 4.760 4.035 3.829 4.155 . 0 0 "[ . 1 . 2]" 1
747 1 25 GLN H 1 27 SER H . . 5.000 4.377 4.158 4.619 . 0 0 "[ . 1 . 2]" 1
748 1 22 TYR QE 1 25 GLN H . . 5.500 5.053 4.581 5.426 . 0 0 "[ . 1 . 2]" 1
749 1 18 VAL H 1 34 THR HA . . 4.900 4.638 4.403 4.799 . 0 0 "[ . 1 . 2]" 1
750 1 18 VAL H 1 34 THR HB . . 5.430 4.722 4.263 4.910 . 0 0 "[ . 1 . 2]" 1
751 1 25 GLN H 1 26 TYR HB2 . . 5.060 5.022 4.745 5.109 0.049 4 0 "[ . 1 . 2]" 1
752 1 16 ALA MB 1 18 VAL H . . 5.170 4.217 4.029 4.464 . 0 0 "[ . 1 . 2]" 1
753 1 18 VAL H 1 35 TYR HB2 . . 5.500 5.498 5.257 5.567 0.067 12 0 "[ . 1 . 2]" 1
754 1 18 VAL H 1 35 TYR H . . 4.630 3.199 2.904 3.370 . 0 0 "[ . 1 . 2]" 1
755 1 18 VAL H 1 18 VAL MG2 . . 3.820 2.390 2.304 2.503 . 0 0 "[ . 1 . 2]" 1
756 1 18 VAL H 1 18 VAL MG1 . . 3.680 3.391 3.280 3.494 . 0 0 "[ . 1 . 2]" 1
757 1 17 PHE QD 1 18 VAL H . . 5.250 3.153 2.530 3.985 . 0 0 "[ . 1 . 2]" 1
758 1 17 PHE HB3 1 18 VAL H . . 4.910 4.474 4.349 4.623 . 0 0 "[ . 1 . 2]" 1
759 1 18 VAL H 1 35 TYR HB3 . . 5.240 4.285 4.103 4.433 . 0 0 "[ . 1 . 2]" 1
760 1 18 VAL H 1 19 PRO HD2 . . 5.330 4.528 4.258 4.810 . 0 0 "[ . 1 . 2]" 1
761 1 23 TYR H 1 33 PHE QD . . 5.500 5.558 5.319 5.585 0.085 5 0 "[ . 1 . 2]" 1
762 1 22 TYR QD 1 23 TYR H . . 4.850 2.850 2.232 3.257 . 0 0 "[ . 1 . 2]" 1
763 1 47 THR H 1 48 ILE H . . 5.000 4.262 4.212 4.321 . 0 0 "[ . 1 . 2]" 1
764 1 5 CYS HA 1 23 TYR H . . 6.000 5.384 4.872 5.827 . 0 0 "[ . 1 . 2]" 1
765 1 48 ILE H 1 48 ILE HG13 . . 5.310 4.493 4.424 4.542 . 0 0 "[ . 1 . 2]" 1
766 1 23 TYR H 1 23 TYR HB3 . . 4.180 2.423 2.309 2.595 . 0 0 "[ . 1 . 2]" 1
767 1 23 TYR H 1 23 TYR QD . . 5.390 4.182 4.033 4.285 . 0 0 "[ . 1 . 2]" 1
768 1 23 TYR H 1 23 TYR HB2 . . 4.180 3.023 2.792 3.317 . 0 0 "[ . 1 . 2]" 1
769 1 23 TYR H 1 43 ASN HD21 . . 4.690 3.182 2.432 4.015 . 0 0 "[ . 1 . 2]" 1
770 1 48 ILE H 1 50 GLU H . . 5.230 4.352 4.244 4.554 . 0 0 "[ . 1 . 2]" 1
771 1 23 TYR H 1 43 ASN HD22 . . 4.690 2.862 2.089 4.089 . 0 0 "[ . 1 . 2]" 1
772 1 22 TYR HB3 1 23 TYR H . . 4.350 3.820 3.355 4.155 . 0 0 "[ . 1 . 2]" 1
773 1 23 TYR H 1 31 HIS H . . 5.500 4.917 4.693 5.172 . 0 0 "[ . 1 . 2]" 1
774 1 21 TYR QE 1 48 ILE H . . 4.600 3.383 3.197 3.658 . 0 0 "[ . 1 . 2]" 1
775 1 9 PRO HD3 1 23 TYR H . . 5.500 5.542 5.462 5.571 0.071 7 0 "[ . 1 . 2]" 1
776 1 48 ILE H 1 51 CYS HB3 . . 5.300 4.900 4.665 5.367 0.067 3 0 "[ . 1 . 2]" 1
777 1 21 TYR QD 1 48 ILE H . . 5.050 3.819 3.663 4.034 . 0 0 "[ . 1 . 2]" 1
778 1 47 THR MG 1 48 ILE H . . 4.230 3.401 3.244 3.641 . 0 0 "[ . 1 . 2]" 1
779 1 23 TYR H 1 30 CYS HA . . 5.500 4.816 4.623 5.072 . 0 0 "[ . 1 . 2]" 1
780 1 48 ILE H 1 48 ILE HG12 . . 4.920 4.409 4.330 4.485 . 0 0 "[ . 1 . 2]" 1
781 1 47 THR HB 1 48 ILE H . . 4.210 3.983 3.863 4.124 . 0 0 "[ . 1 . 2]" 1
782 1 23 TYR H 1 43 ASN HA . . 5.290 4.939 4.399 5.349 0.059 4 0 "[ . 1 . 2]" 1
783 1 21 TYR HB3 1 48 ILE H . . 5.300 4.968 4.623 5.281 . 0 0 "[ . 1 . 2]" 1
784 1 48 ILE H 1 49 ASP QB . . 5.500 4.511 4.155 5.114 . 0 0 "[ . 1 . 2]" 1
785 1 48 ILE H 1 48 ILE MG . . 3.410 1.850 1.793 1.936 . 0 0 "[ . 1 . 2]" 1
786 1 22 TYR QE 1 23 TYR H . . 5.500 4.110 3.660 4.646 . 0 0 "[ . 1 . 2]" 1
787 1 22 TYR HA 1 45 PHE H . . 5.500 4.690 4.236 5.262 . 0 0 "[ . 1 . 2]" 1
788 1 44 ARG HG3 1 45 PHE H . . 4.920 3.958 2.519 4.392 . 0 0 "[ . 1 . 2]" 1
789 1 20 SER QB 1 45 PHE H . . 4.560 3.520 3.118 4.285 . 0 0 "[ . 1 . 2]" 1
790 1 21 TYR QD 1 45 PHE H . . 5.500 5.148 4.943 5.424 . 0 0 "[ . 1 . 2]" 1
791 1 44 ARG HE 1 45 PHE H . . 5.500 4.895 3.784 5.567 0.067 3 0 "[ . 1 . 2]" 1
792 1 44 ARG HG2 1 45 PHE H . . 4.920 2.557 2.209 3.493 . 0 0 "[ . 1 . 2]" 1
793 1 21 TYR H 1 45 PHE H . . 4.330 2.588 2.335 3.001 . 0 0 "[ . 1 . 2]" 1
794 1 21 TYR HB3 1 45 PHE H . . 4.580 4.202 3.706 4.623 0.043 12 0 "[ . 1 . 2]" 1
795 1 44 ARG H 1 45 PHE H . . 4.690 4.542 4.500 4.619 . 0 0 "[ . 1 . 2]" 1
796 1 44 ARG HD2 1 45 PHE H . . 5.400 4.695 3.525 5.414 0.014 13 0 "[ . 1 . 2]" 1
797 1 44 ARG HB3 1 45 PHE H . . 5.240 4.207 3.953 4.326 . 0 0 "[ . 1 . 2]" 1
798 1 33 PHE QE 1 45 PHE H . . 4.520 3.368 2.989 3.906 . 0 0 "[ . 1 . 2]" 1
799 1 44 ARG HB2 1 45 PHE H . . 5.240 4.149 3.905 4.385 . 0 0 "[ . 1 . 2]" 1
800 1 21 TYR HB2 1 45 PHE H . . 5.370 3.478 3.217 3.772 . 0 0 "[ . 1 . 2]" 1
801 1 44 ARG HD3 1 45 PHE H . . 5.400 4.382 3.494 5.431 0.031 14 0 "[ . 1 . 2]" 1
802 1 8 ALA H 1 9 PRO HD3 . . 4.990 4.548 4.275 4.920 . 0 0 "[ . 1 . 2]" 1
803 1 7 LEU QD 1 8 ALA H . . 4.150 3.476 3.370 3.630 . 0 0 "[ . 1 . 2]" 1
804 1 8 ALA H 1 8 ALA MB . . 3.370 2.334 2.254 2.457 . 0 0 "[ . 1 . 2]" 1
805 1 8 ALA H 1 9 PRO HD2 . . 5.390 4.917 4.726 5.050 . 0 0 "[ . 1 . 2]" 1
806 1 7 LEU HB2 1 8 ALA H . . 4.740 3.406 3.214 3.494 . 0 0 "[ . 1 . 2]" 1
807 1 7 LEU HB3 1 8 ALA H . . 4.230 2.296 2.150 2.428 . 0 0 "[ . 1 . 2]" 1
808 1 8 ALA H 1 43 ASN H . . 5.190 5.243 5.076 5.262 0.072 17 0 "[ . 1 . 2]" 1
809 1 15 PHE QE 1 16 ALA H . . 5.490 4.905 4.411 5.248 . 0 0 "[ . 1 . 2]" 1
810 1 15 PHE H 1 16 ALA H . . 4.350 4.245 3.919 4.378 0.028 1 0 "[ . 1 . 2]" 1
811 1 15 PHE QD 1 16 ALA H . . 5.500 3.587 2.641 4.116 . 0 0 "[ . 1 . 2]" 1
812 1 24 ASN H 1 29 THR MG . . 5.500 4.051 3.652 4.355 . 0 0 "[ . 1 . 2]" 1
813 1 24 ASN H 1 24 ASN HB2 . . 4.180 2.600 2.496 2.694 . 0 0 "[ . 1 . 2]" 1
814 1 24 ASN H 1 28 ASN HA . . 5.500 5.429 4.958 5.551 0.051 6 0 "[ . 1 . 2]" 1
815 1 22 TYR QE 1 24 ASN H . . 5.500 5.269 4.925 5.563 0.063 12 0 "[ . 1 . 2]" 1
816 1 24 ASN H 1 27 SER HB3 . . 5.500 5.183 4.817 5.544 0.044 9 0 "[ . 1 . 2]" 1
817 1 23 TYR QD 1 24 ASN H . . 4.930 3.183 2.891 3.554 . 0 0 "[ . 1 . 2]" 1
818 1 24 ASN H 1 29 THR H . . 4.550 3.469 3.224 3.627 . 0 0 "[ . 1 . 2]" 1
819 1 23 TYR HB3 1 24 ASN H . . 5.000 4.314 4.221 4.416 . 0 0 "[ . 1 . 2]" 1
820 1 24 ASN H 1 25 GLN HA . . 5.500 4.647 4.482 4.873 . 0 0 "[ . 1 . 2]" 1
821 1 24 ASN H 1 24 ASN HB3 . . 4.180 3.728 3.636 3.801 . 0 0 "[ . 1 . 2]" 1
822 1 24 ASN H 1 30 CYS HA . . 4.360 2.591 2.328 2.813 . 0 0 "[ . 1 . 2]" 1
823 1 23 TYR HB2 1 24 ASN H . . 5.000 4.216 4.045 4.378 . 0 0 "[ . 1 . 2]" 1
824 1 24 ASN H 1 30 CYS HB3 . . 5.500 4.670 3.765 5.559 0.059 14 0 "[ . 1 . 2]" 1
825 1 24 ASN H 1 31 HIS HB2 . . 5.500 5.507 5.354 5.564 0.064 4 0 "[ . 1 . 2]" 1
826 1 24 ASN H 1 30 CYS HB2 . . 5.500 5.171 4.464 5.557 0.057 8 0 "[ . 1 . 2]" 1
827 1 19 PRO HD3 1 35 TYR H . . 5.260 5.056 4.823 5.269 0.009 15 0 "[ . 1 . 2]" 1
828 1 35 TYR H 1 35 TYR HB2 . . 4.190 2.957 2.845 3.118 . 0 0 "[ . 1 . 2]" 1
829 1 35 TYR H 1 35 TYR HB3 . . 4.200 2.722 2.556 2.884 . 0 0 "[ . 1 . 2]" 1
830 1 34 THR MG 1 35 TYR H . . 3.880 3.880 3.740 3.950 0.070 7 0 "[ . 1 . 2]" 1
831 1 20 SER HA 1 35 TYR H . . 5.500 5.544 5.359 5.572 0.072 4 0 "[ . 1 . 2]" 1
832 1 18 VAL HB 1 35 TYR H . . 4.990 4.959 4.797 5.041 0.051 12 0 "[ . 1 . 2]" 1
833 1 20 SER H 1 35 TYR H . . 4.590 3.083 2.965 3.254 . 0 0 "[ . 1 . 2]" 1
834 1 34 THR HB 1 35 TYR H . . 4.460 3.410 3.292 3.541 . 0 0 "[ . 1 . 2]" 1
835 1 34 THR H 1 35 TYR H . . 4.730 4.551 4.480 4.657 . 0 0 "[ . 1 . 2]" 1
836 1 11 ALA MB 1 35 TYR H . . 5.500 4.432 3.995 4.728 . 0 0 "[ . 1 . 2]" 1
837 1 17 PHE QD 1 35 TYR H . . 5.500 4.678 3.724 5.395 . 0 0 "[ . 1 . 2]" 1
838 1 18 VAL MG2 1 35 TYR H . . 4.650 3.459 3.248 3.550 . 0 0 "[ . 1 . 2]" 1
839 1 17 PHE QE 1 35 TYR H . . 5.500 5.356 4.517 5.573 0.073 4 0 "[ . 1 . 2]" 1
840 1 10 SER HA 1 11 ALA H . . 3.350 2.485 2.173 2.865 . 0 0 "[ . 1 . 2]" 1
841 1 9 PRO HA 1 11 ALA H . . 5.480 4.576 3.953 5.540 0.060 18 0 "[ . 1 . 2]" 1
842 1 10 SER H 1 11 ALA H . . 5.090 3.782 3.376 4.392 . 0 0 "[ . 1 . 2]" 1
843 1 11 ALA H 1 11 ALA MB . . 3.580 2.207 2.166 2.280 . 0 0 "[ . 1 . 2]" 1
844 1 11 ALA H 1 12 GLY QA . . 5.240 4.545 4.270 4.682 . 0 0 "[ . 1 . 2]" 1
845 1 48 ILE HA 1 52 ASN H . . 4.490 3.558 3.379 3.775 . 0 0 "[ . 1 . 2]" 1
846 1 51 CYS H 1 54 THR MG . . 5.500 4.216 4.003 4.306 . 0 0 "[ . 1 . 2]" 1
847 1 2 PRO HG3 1 4 PHE H . . 4.990 4.941 4.769 5.054 0.064 18 0 "[ . 1 . 2]" 1
848 1 45 PHE HB3 1 50 GLU QB . . 5.380 3.532 2.952 4.357 . 0 0 "[ . 1 . 2]" 1
849 1 45 PHE HB3 1 51 CYS HB2 . . 5.420 3.309 2.632 4.713 . 0 0 "[ . 1 . 2]" 1
850 1 45 PHE HB3 1 47 THR H . . 4.400 2.609 2.264 3.277 . 0 0 "[ . 1 . 2]" 1
851 1 45 PHE HB2 1 47 THR H . . 5.190 3.600 2.854 4.189 . 0 0 "[ . 1 . 2]" 1
852 1 45 PHE HB3 1 50 GLU H . . 5.500 5.102 4.545 5.545 0.045 16 0 "[ . 1 . 2]" 1
853 1 45 PHE HB3 1 51 CYS H . . 4.750 3.807 3.315 4.257 . 0 0 "[ . 1 . 2]" 1
854 1 45 PHE HB2 1 51 CYS H . . 5.010 4.615 4.124 5.061 0.051 15 0 "[ . 1 . 2]" 1
855 1 45 PHE HB3 1 46 ARG H . . 4.190 2.321 2.011 2.581 . 0 0 "[ . 1 . 2]" 1
856 1 45 PHE HB2 1 46 ARG H . . 4.590 3.478 2.771 3.958 . 0 0 "[ . 1 . 2]" 1
857 1 33 PHE HZ 1 44 ARG HE . . 5.500 5.441 4.746 5.578 0.078 5 0 "[ . 1 . 2]" 1
858 1 33 PHE HZ 1 35 TYR HB2 . . 5.500 3.036 2.614 3.594 . 0 0 "[ . 1 . 2]" 1
859 1 21 TYR H 1 33 PHE HZ . . 5.190 5.239 5.072 5.264 0.074 19 0 "[ . 1 . 2]" 1
860 1 20 SER H 1 33 PHE HZ . . 5.500 5.414 5.245 5.555 0.055 4 0 "[ . 1 . 2]" 1
861 1 31 HIS HD2 1 48 ILE MD . . 5.500 4.397 4.047 4.650 . 0 0 "[ . 1 . 2]" 1
862 1 21 TYR QE 1 31 HIS HD2 . . 4.680 4.672 4.156 4.760 0.080 4 0 "[ . 1 . 2]" 1
863 1 21 TYR QD 1 31 HIS HD2 . . 5.480 5.507 5.237 5.557 0.077 18 0 "[ . 1 . 2]" 1
864 1 31 HIS HD2 1 32 SER H . . 5.170 3.399 3.127 3.876 . 0 0 "[ . 1 . 2]" 1
865 1 30 CYS H 1 31 HIS HD2 . . 5.500 5.505 5.006 5.562 0.062 4 0 "[ . 1 . 2]" 1
866 1 31 HIS H 1 31 HIS HD2 . . 4.970 4.919 4.815 5.024 0.054 13 0 "[ . 1 . 2]" 1
867 1 1 ARG H1 1 1 ARG QD . . 4.470 3.604 2.029 5.019 0.549 13 2 "[ . - 1 + . 2]" 1
868 1 1 ARG H1 1 57 GLY QA . . 4.960 4.473 3.698 5.609 0.649 13 1 "[ . 1 + . 2]" 1
869 1 1 ARG QG 1 25 GLN QB . . 4.450 3.172 2.255 4.518 0.068 2 0 "[ . 1 . 2]" 1
870 1 1 ARG QD 1 25 GLN HA . . 5.340 4.117 3.457 5.414 0.074 19 0 "[ . 1 . 2]" 1
871 1 1 ARG QD 1 25 GLN QB . . 5.180 2.829 2.069 4.097 . 0 0 "[ . 1 . 2]" 1
872 1 1 ARG QD 1 28 ASN QD . . 5.180 4.198 2.955 5.239 0.059 10 0 "[ . 1 . 2]" 1
873 1 1 ARG QD 1 55 CYS HA . . 5.340 5.129 4.540 5.408 0.068 14 0 "[ . 1 . 2]" 1
874 1 1 ARG QD 1 55 CYS HB3 . . 5.340 4.704 3.942 5.414 0.074 11 0 "[ . 1 . 2]" 1
875 1 1 ARG QD 1 57 GLY H . . 4.730 3.883 2.860 4.654 . 0 0 "[ . 1 . 2]" 1
876 1 1 ARG QD 1 57 GLY QA . . 5.150 4.549 3.445 5.228 0.078 18 0 "[ . 1 . 2]" 1
877 1 2 PRO QB 1 3 ARG H . . 3.940 3.063 2.775 3.247 . 0 0 "[ . 1 . 2]" 1
878 1 2 PRO QB 1 4 PHE H . . 3.660 2.568 2.349 2.619 . 0 0 "[ . 1 . 2]" 1
879 1 2 PRO QB 1 4 PHE QD . . 5.340 2.298 2.105 2.716 . 0 0 "[ . 1 . 2]" 1
880 1 2 PRO QB 1 4 PHE QE . . 5.270 2.790 2.532 3.228 . 0 0 "[ . 1 . 2]" 1
881 1 2 PRO QB 1 5 CYS H . . 4.500 3.566 3.441 3.673 . 0 0 "[ . 1 . 2]" 1
882 1 2 PRO QB 1 5 CYS QB . . 4.710 4.101 3.647 4.781 0.071 13 0 "[ . 1 . 2]" 1
883 1 2 PRO HG2 1 5 CYS QB . . 5.310 2.551 2.071 3.469 . 0 0 "[ . 1 . 2]" 1
884 1 2 PRO HG3 1 5 CYS QB . . 4.980 4.067 3.554 4.641 . 0 0 "[ . 1 . 2]" 1
885 1 4 PHE H 1 5 CYS QB . . 5.090 4.267 3.679 5.135 0.045 17 0 "[ . 1 . 2]" 1
886 1 4 PHE QD 1 5 CYS QB . . 5.340 3.958 3.387 4.511 . 0 0 "[ . 1 . 2]" 1
887 1 4 PHE HZ 1 5 CYS QB . . 5.340 4.614 3.788 5.396 0.056 1 0 "[ . 1 . 2]" 1
888 1 5 CYS HA 1 23 TYR QB . . 5.200 3.665 3.294 3.993 . 0 0 "[ . 1 . 2]" 1
889 1 5 CYS HA 1 43 ASN QB . . 5.110 3.452 2.426 4.039 . 0 0 "[ . 1 . 2]" 1
890 1 5 CYS HA 1 43 ASN QD . . 5.330 4.954 4.367 5.399 0.069 18 0 "[ . 1 . 2]" 1
891 1 5 CYS QB 1 6 GLU H . . 4.480 3.264 2.851 3.940 . 0 0 "[ . 1 . 2]" 1
892 1 5 CYS QB 1 7 LEU H . . 5.340 4.757 4.640 4.896 . 0 0 "[ . 1 . 2]" 1
893 1 5 CYS QB 1 23 TYR QD . . 5.340 2.725 2.219 3.392 . 0 0 "[ . 1 . 2]" 1
894 1 5 CYS QB 1 54 THR MG . . 5.340 4.002 3.409 4.453 . 0 0 "[ . 1 . 2]" 1
895 1 6 GLU H 1 25 GLN QE . . 5.340 5.294 4.814 5.416 0.076 3 0 "[ . 1 . 2]" 1
896 1 7 LEU HB2 1 41 ASN QB . . 5.290 2.500 2.223 2.781 . 0 0 "[ . 1 . 2]" 1
897 1 7 LEU HG 1 41 ASN QB . . 5.340 4.093 3.887 4.280 . 0 0 "[ . 1 . 2]" 1
898 1 7 LEU QD 1 41 ASN QB . . 4.240 2.211 2.071 2.398 . 0 0 "[ . 1 . 2]" 1
899 1 8 ALA H 1 43 ASN QB . . 4.860 4.350 4.010 4.913 0.053 1 0 "[ . 1 . 2]" 1
900 1 8 ALA MB 1 9 PRO QB . . 5.340 5.063 4.954 5.124 . 0 0 "[ . 1 . 2]" 1
901 1 9 PRO HA 1 43 ASN QD . . 5.340 4.958 4.063 5.419 0.079 17 0 "[ . 1 . 2]" 1
902 1 9 PRO HD2 1 43 ASN QD . . 5.270 3.513 2.845 4.344 . 0 0 "[ . 1 . 2]" 1
903 1 9 PRO HD3 1 43 ASN QD . . 4.990 2.235 1.637 3.270 . 0 0 "[ . 1 . 2]" 1
904 1 10 SER H 1 41 ASN QB . . 5.340 3.345 2.895 4.230 . 0 0 "[ . 1 . 2]" 1
905 1 10 SER QB 1 11 ALA H . . 4.280 4.026 3.918 4.080 . 0 0 "[ . 1 . 2]" 1
906 1 12 GLY H 1 40 GLY QA . . 5.340 5.019 4.698 5.416 0.076 18 0 "[ . 1 . 2]" 1
907 1 18 VAL HA 1 19 PRO QB . . 5.220 4.767 4.668 4.814 . 0 0 "[ . 1 . 2]" 1
908 1 19 PRO QB 1 20 SER H . . 3.840 3.432 3.287 3.548 . 0 0 "[ . 1 . 2]" 1
909 1 19 PRO QB 1 34 THR MG . . 5.200 3.209 2.809 3.750 . 0 0 "[ . 1 . 2]" 1
910 1 19 PRO QB 1 35 TYR H . . 5.220 4.549 4.404 4.810 . 0 0 "[ . 1 . 2]" 1
911 1 20 SER H 1 32 SER QB . . 5.340 4.750 4.479 4.916 . 0 0 "[ . 1 . 2]" 1
912 1 20 SER QB 1 33 PHE QE . . 5.340 2.990 2.471 4.022 . 0 0 "[ . 1 . 2]" 1
913 1 20 SER QB 1 33 PHE HZ . . 5.340 3.505 3.206 4.176 . 0 0 "[ . 1 . 2]" 1
914 1 20 SER QB 1 34 THR HA . . 5.000 4.879 4.385 5.063 0.063 4 0 "[ . 1 . 2]" 1
915 1 20 SER QB 1 35 TYR H . . 5.340 3.930 3.475 4.167 . 0 0 "[ . 1 . 2]" 1
916 1 20 SER QB 1 44 ARG QG . . 4.830 2.304 1.909 3.185 . 0 0 "[ . 1 . 2]" 1
917 1 21 TYR H 1 44 ARG QG . . 4.830 3.416 3.004 3.887 . 0 0 "[ . 1 . 2]" 1
918 1 21 TYR H 1 44 ARG QD . . 5.340 4.972 4.114 5.417 0.077 12 0 "[ . 1 . 2]" 1
919 1 21 TYR HB2 1 44 ARG QG . . 5.340 5.133 4.747 5.410 0.070 3 0 "[ . 1 . 2]" 1
920 1 21 TYR QD 1 30 CYS QB . . 5.330 2.814 2.403 3.262 . 0 0 "[ . 1 . 2]" 1
921 1 21 TYR QD 1 32 SER QB . . 4.560 3.724 3.311 4.390 . 0 0 "[ . 1 . 2]" 1
922 1 21 TYR QE 1 32 SER QB . . 4.220 3.277 3.017 4.282 0.062 15 0 "[ . 1 . 2]" 1
923 1 22 TYR H 1 30 CYS QB . . 5.340 4.285 3.811 5.071 . 0 0 "[ . 1 . 2]" 1
924 1 22 TYR H 1 43 ASN QD . . 5.340 5.263 4.731 5.418 0.078 1 0 "[ . 1 . 2]" 1
925 1 22 TYR HA 1 43 ASN QD . . 5.340 2.771 2.151 3.036 . 0 0 "[ . 1 . 2]" 1
926 1 22 TYR HB2 1 43 ASN QD . . 4.870 4.054 3.525 4.380 . 0 0 "[ . 1 . 2]" 1
927 1 22 TYR QD 1 23 TYR QB . . 5.340 4.226 3.985 4.446 . 0 0 "[ . 1 . 2]" 1
928 1 22 TYR QD 1 25 GLN QE . . 5.340 5.068 4.415 5.426 0.086 3 0 "[ . 1 . 2]" 1
929 1 22 TYR QE 1 24 ASN QB . . 5.280 4.692 4.273 5.254 . 0 0 "[ . 1 . 2]" 1
930 1 23 TYR H 1 23 TYR QB . . 3.610 2.329 2.204 2.507 . 0 0 "[ . 1 . 2]" 1
931 1 23 TYR H 1 43 ASN QD . . 3.900 2.441 2.039 2.649 . 0 0 "[ . 1 . 2]" 1
932 1 23 TYR HA 1 43 ASN QD . . 5.340 5.027 4.640 5.415 0.075 4 0 "[ . 1 . 2]" 1
933 1 23 TYR QB 1 24 ASN H . . 4.370 3.797 3.695 3.917 . 0 0 "[ . 1 . 2]" 1
934 1 23 TYR QB 1 25 GLN H . . 5.320 4.729 4.464 4.959 . 0 0 "[ . 1 . 2]" 1
935 1 23 TYR QB 1 43 ASN QD . . 4.510 3.525 2.966 4.056 . 0 0 "[ . 1 . 2]" 1
936 1 23 TYR QB 1 51 CYS HB2 . . 4.270 3.957 2.901 4.342 0.072 16 0 "[ . 1 . 2]" 1
937 1 23 TYR QB 1 55 CYS HB2 . . 5.300 3.970 3.656 4.297 . 0 0 "[ . 1 . 2]" 1
938 1 23 TYR QB 1 55 CYS HB3 . . 5.340 4.535 4.212 4.990 . 0 0 "[ . 1 . 2]" 1
939 1 23 TYR QD 1 25 GLN QB . . 5.340 3.734 3.090 4.168 . 0 0 "[ . 1 . 2]" 1
940 1 23 TYR QE 1 25 GLN QE . . 5.140 3.485 2.705 4.241 . 0 0 "[ . 1 . 2]" 1
941 1 24 ASN H 1 30 CYS QB . . 4.850 4.261 3.664 4.701 . 0 0 "[ . 1 . 2]" 1
942 1 24 ASN HA 1 25 GLN QE . . 5.260 2.873 2.625 3.185 . 0 0 "[ . 1 . 2]" 1
943 1 24 ASN QB 1 25 GLN H . . 4.110 3.782 3.627 3.881 . 0 0 "[ . 1 . 2]" 1
944 1 24 ASN QB 1 25 GLN QE . . 4.720 4.430 4.150 4.712 . 0 0 "[ . 1 . 2]" 1
945 1 24 ASN QB 1 26 TYR H . . 4.880 3.482 3.227 3.618 . 0 0 "[ . 1 . 2]" 1
946 1 24 ASN QB 1 26 TYR HA . . 5.300 5.336 5.203 5.382 0.082 17 0 "[ . 1 . 2]" 1
947 1 24 ASN QB 1 26 TYR HB2 . . 5.340 3.284 2.992 3.646 . 0 0 "[ . 1 . 2]" 1
948 1 24 ASN QB 1 27 SER H . . 4.860 2.770 2.600 2.925 . 0 0 "[ . 1 . 2]" 1
949 1 24 ASN QB 1 27 SER HB2 . . 4.950 3.517 3.059 3.851 . 0 0 "[ . 1 . 2]" 1
950 1 24 ASN QB 1 28 ASN H . . 5.340 4.307 4.043 4.556 . 0 0 "[ . 1 . 2]" 1
951 1 24 ASN QB 1 29 THR H . . 4.180 3.457 3.118 3.902 . 0 0 "[ . 1 . 2]" 1
952 1 24 ASN QB 1 29 THR MG . . 4.400 3.008 2.584 3.494 . 0 0 "[ . 1 . 2]" 1
953 1 24 ASN QB 1 31 HIS H . . 5.340 5.031 4.605 5.395 0.055 13 0 "[ . 1 . 2]" 1
954 1 24 ASN QB 1 31 HIS HB3 . . 5.340 5.195 4.963 5.401 0.061 11 0 "[ . 1 . 2]" 1
955 1 25 GLN H 1 25 GLN QB . . 3.510 2.606 2.256 2.875 . 0 0 "[ . 1 . 2]" 1
956 1 25 GLN HA 1 25 GLN QE . . 5.280 4.152 3.651 4.534 . 0 0 "[ . 1 . 2]" 1
957 1 25 GLN QB 1 27 SER H . . 5.340 4.961 4.827 5.109 . 0 0 "[ . 1 . 2]" 1
958 1 25 GLN QB 1 28 ASN H . . 4.760 4.380 4.252 4.676 . 0 0 "[ . 1 . 2]" 1
959 1 25 GLN QE 1 26 TYR H . . 4.110 3.263 2.850 3.673 . 0 0 "[ . 1 . 2]" 1
960 1 25 GLN QE 1 26 TYR QE . . 4.520 3.582 2.581 4.603 0.083 17 0 "[ . 1 . 2]" 1
961 1 25 GLN QE 1 27 SER H . . 5.340 5.382 5.192 5.426 0.086 5 0 "[ . 1 . 2]" 1
962 1 27 SER H 1 28 ASN QB . . 4.780 4.658 4.484 4.807 0.027 18 0 "[ . 1 . 2]" 1
963 1 27 SER HA 1 28 ASN QB . . 5.250 3.992 3.859 4.202 . 0 0 "[ . 1 . 2]" 1
964 1 27 SER HB3 1 28 ASN QB . . 5.340 5.224 5.082 5.385 0.045 5 0 "[ . 1 . 2]" 1
965 1 28 ASN H 1 28 ASN QD . . 5.050 4.341 3.940 5.125 0.075 10 0 "[ . 1 . 2]" 1
966 1 28 ASN QB 1 29 THR H . . 4.330 4.046 3.988 4.092 . 0 0 "[ . 1 . 2]" 1
967 1 28 ASN QB 1 57 GLY H . . 5.340 5.079 4.436 5.408 0.068 20 0 "[ . 1 . 2]" 1
968 1 28 ASN QD 1 56 VAL HA . . 4.780 2.700 2.242 3.509 . 0 0 "[ . 1 . 2]" 1
969 1 28 ASN QD 1 56 VAL MG1 . . 4.090 2.506 2.247 2.876 . 0 0 "[ . 1 . 2]" 1
970 1 28 ASN QD 1 57 GLY H . . 4.070 2.388 1.863 3.075 . 0 0 "[ . 1 . 2]" 1
971 1 30 CYS H 1 30 CYS QB . . 3.680 2.719 2.380 2.988 . 0 0 "[ . 1 . 2]" 1
972 1 30 CYS QB 1 31 HIS H . . 3.980 2.770 2.260 3.423 . 0 0 "[ . 1 . 2]" 1
973 1 30 CYS QB 1 48 ILE H . . 5.310 4.953 4.561 5.365 0.055 3 0 "[ . 1 . 2]" 1
974 1 30 CYS QB 1 48 ILE MD . . 4.450 2.768 2.253 3.186 . 0 0 "[ . 1 . 2]" 1
975 1 30 CYS QB 1 52 ASN H . . 5.340 4.324 3.786 4.794 . 0 0 "[ . 1 . 2]" 1
976 1 32 SER H 1 32 SER QB . . 3.560 2.614 2.268 2.935 . 0 0 "[ . 1 . 2]" 1
977 1 32 SER QB 1 33 PHE H . . 3.850 2.883 2.783 3.013 . 0 0 "[ . 1 . 2]" 1
978 1 33 PHE QD 1 43 ASN QD . . 5.340 4.913 4.250 5.282 . 0 0 "[ . 1 . 2]" 1
979 1 33 PHE QE 1 43 ASN QD . . 4.980 4.293 3.356 4.922 . 0 0 "[ . 1 . 2]" 1
980 1 33 PHE HZ 1 44 ARG QB . . 5.340 3.004 2.156 4.591 . 0 0 "[ . 1 . 2]" 1
981 1 33 PHE HZ 1 44 ARG QG . . 5.340 3.435 2.291 4.633 . 0 0 "[ . 1 . 2]" 1
982 1 39 GLY H 1 40 GLY QA . . 5.320 4.969 4.304 5.333 0.013 15 0 "[ . 1 . 2]" 1
983 1 39 GLY QA 1 40 GLY QA . . 4.990 3.621 3.532 3.806 . 0 0 "[ . 1 . 2]" 1
984 1 40 GLY QA 1 41 ASN QB . . 5.180 4.105 3.996 4.228 . 0 0 "[ . 1 . 2]" 1
985 1 41 ASN QB 1 42 ALA MB . . 5.340 3.598 3.456 3.693 . 0 0 "[ . 1 . 2]" 1
986 1 41 ASN QB 1 43 ASN H . . 3.900 2.735 2.532 2.960 . 0 0 "[ . 1 . 2]" 1
987 1 41 ASN QB 1 44 ARG H . . 4.590 4.560 4.299 4.672 0.082 12 0 "[ . 1 . 2]" 1
988 1 42 ALA MB 1 44 ARG QB . . 5.340 5.009 4.668 5.311 . 0 0 "[ . 1 . 2]" 1
989 1 43 ASN H 1 44 ARG QB . . 5.200 4.384 4.249 4.562 . 0 0 "[ . 1 . 2]" 1
990 1 43 ASN QD 1 44 ARG H . . 5.340 4.917 3.670 5.413 0.073 9 0 "[ . 1 . 2]" 1
991 1 44 ARG H 1 44 ARG QG . . 4.670 3.988 3.838 4.132 . 0 0 "[ . 1 . 2]" 1
992 1 44 ARG H 1 44 ARG QD . . 5.170 4.389 4.017 4.773 . 0 0 "[ . 1 . 2]" 1
993 1 46 ARG H 1 46 ARG QG . . 3.700 2.353 2.243 2.618 . 0 0 "[ . 1 . 2]" 1
994 1 46 ARG H 1 46 ARG QD . . 4.110 1.992 1.799 2.960 . 0 0 "[ . 1 . 2]" 1
995 1 46 ARG QG 1 47 THR MG . . 4.540 4.120 3.997 4.222 . 0 0 "[ . 1 . 2]" 1
996 1 46 ARG QG 1 50 GLU QB . . 4.730 4.295 4.083 4.560 . 0 0 "[ . 1 . 2]" 1
997 1 46 ARG QD 1 47 THR H . . 4.310 2.294 2.179 2.673 . 0 0 "[ . 1 . 2]" 1
998 1 46 ARG QD 1 50 GLU H . . 5.340 4.169 3.936 4.333 . 0 0 "[ . 1 . 2]" 1
999 1 46 ARG QD 1 50 GLU HA . . 5.340 5.045 4.759 5.236 . 0 0 "[ . 1 . 2]" 1
1000 1 46 ARG QD 1 50 GLU QB . . 5.230 2.565 2.328 2.793 . 0 0 "[ . 1 . 2]" 1
1001 1 46 ARG QD 1 50 GLU QG . . 4.530 2.321 2.052 2.892 . 0 0 "[ . 1 . 2]" 1
1002 1 46 ARG QD 1 51 CYS H . . 4.650 4.597 4.265 4.727 0.077 15 0 "[ . 1 . 2]" 1
1003 1 48 ILE MG 1 52 ASN QD . . 4.160 3.541 3.259 3.765 . 0 0 "[ . 1 . 2]" 1
1004 1 48 ILE HG12 1 52 ASN QD . . 4.850 2.343 2.131 2.594 . 0 0 "[ . 1 . 2]" 1
1005 1 49 ASP H 1 52 ASN QD . . 5.330 3.859 3.709 3.985 . 0 0 "[ . 1 . 2]" 1
1006 1 49 ASP HA 1 52 ASN QD . . 4.170 2.014 1.906 2.087 . 0 0 "[ . 1 . 2]" 1
1007 1 49 ASP QB 1 52 ASN QD . . 5.340 3.718 3.538 3.980 . 0 0 "[ . 1 . 2]" 1
1008 1 52 ASN H 1 52 ASN QD . . 4.160 2.855 2.653 3.072 . 0 0 "[ . 1 . 2]" 1
1009 1 52 ASN QD 1 53 ARG H . . 4.370 3.126 2.810 3.425 . 0 0 "[ . 1 . 2]" 1
1010 1 52 ASN QD 1 53 ARG QB . . 5.340 3.911 3.555 4.940 . 0 0 "[ . 1 . 2]" 1
1011 1 52 ASN QD 1 53 ARG HG2 . . 5.340 5.081 3.301 5.396 0.056 6 0 "[ . 1 . 2]" 1
1012 1 52 ASN QD 1 56 VAL MG1 . . 5.340 4.968 4.823 5.121 . 0 0 "[ . 1 . 2]" 1
1013 1 56 VAL H 1 57 GLY QA . . 5.340 4.880 4.586 5.269 . 0 0 "[ . 1 . 2]" 1
1014 1 56 VAL MG1 1 57 GLY QA . . 4.340 3.945 3.541 4.210 . 0 0 "[ . 1 . 2]" 1
1015 1 24 ASN O 1 29 THR H . . 1.800 2.337 2.181 2.451 0.651 15 12 "[*********1 +- *]" 1
1016 1 24 ASN O 1 29 THR N . . 2.700 3.332 3.190 3.449 0.749 6 18 "[*****+******- *** **]" 1
1017 1 24 ASN H 1 29 THR O . . 1.800 1.902 1.814 1.996 0.196 5 0 "[ . 1 . 2]" 1
1018 1 24 ASN N 1 29 THR O . . 2.700 2.884 2.792 2.964 0.264 20 0 "[ . 1 . 2]" 1
1019 1 22 TYR O 1 31 HIS H . . 1.800 1.915 1.808 2.054 0.254 20 0 "[ . 1 . 2]" 1
1020 1 22 TYR O 1 31 HIS N . . 2.700 2.880 2.787 3.006 0.306 20 0 "[ . 1 . 2]" 1
1021 1 22 TYR H 1 31 HIS O . . 1.800 1.806 1.732 1.917 0.117 3 0 "[ . 1 . 2]" 1
1022 1 22 TYR N 1 31 HIS O . . 2.700 2.807 2.742 2.912 0.212 3 0 "[ . 1 . 2]" 1
1023 1 20 SER O 1 33 PHE H . . 1.800 1.803 1.742 1.881 0.081 4 0 "[ . 1 . 2]" 1
1024 1 20 SER O 1 33 PHE N . . 2.700 2.811 2.755 2.891 0.191 4 0 "[ . 1 . 2]" 1
1025 1 20 SER H 1 33 PHE O . . 1.800 2.170 1.920 2.269 0.469 11 0 "[ . 1 . 2]" 1
1026 1 20 SER N 1 33 PHE O . . 2.700 2.995 2.823 3.067 0.367 15 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 3
_Distance_constraint_stats_list.Viol_count 60
_Distance_constraint_stats_list.Viol_total 269.421
_Distance_constraint_stats_list.Viol_max 0.253
_Distance_constraint_stats_list.Viol_rms 0.0112
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2245
_Distance_constraint_stats_list.Viol_average_violations_only 0.2245
_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 5 CYS 4.472 0.241 9 0 "[ . 1 . 2]"
1 14 CYS 4.495 0.244 16 0 "[ . 1 . 2]"
1 30 CYS 4.504 0.253 9 0 "[ . 1 . 2]"
1 38 CYS 4.495 0.244 16 0 "[ . 1 . 2]"
1 51 CYS 4.504 0.253 9 0 "[ . 1 . 2]"
1 55 CYS 4.472 0.241 9 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 14 CYS SG 1 38 CYS SG . . 1.800 2.025 2.012 2.044 0.244 16 0 "[ . 1 . 2]" 2
2 1 5 CYS SG 1 55 CYS SG . . 1.800 2.024 2.010 2.041 0.241 9 0 "[ . 1 . 2]" 2
3 1 30 CYS SG 1 51 CYS SG . . 1.800 2.025 2.000 2.053 0.253 9 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 25
_Distance_constraint_stats_list.Viol_count 58
_Distance_constraint_stats_list.Viol_total 487.454
_Distance_constraint_stats_list.Viol_max 0.840
_Distance_constraint_stats_list.Viol_rms 0.1481
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0487
_Distance_constraint_stats_list.Viol_average_violations_only 0.4202
_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 4 PHE 8.121 0.608 16 4 "[ * . * 1 -+ 2]"
1 7 LEU 8.121 0.608 16 4 "[ * . * 1 -+ 2]"
1 9 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ALA 6.331 0.840 10 6 "[ - * +** . * 2]"
1 22 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 PHE 10.660 0.632 13 11 "[*** . **-+*.*** 2]"
1 34 THR 9.921 0.632 13 11 "[*** . **-+*.*** 2]"
1 35 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 GLY 5.592 0.840 10 6 "[ - * +** . * 2]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 THR 0.000 0.000 . 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 11 ALA MB 1 33 PHE QE . . 5.030 2.913 2.434 3.444 . 0 0 "[ . 1 . 2]" 3
2 1 11 ALA HA 1 33 PHE QE . . 5.500 5.173 4.549 5.823 0.323 20 0 "[ . 1 . 2]" 3
3 1 11 ALA H 1 33 PHE QE . . 5.350 4.347 3.823 4.625 . 0 0 "[ . 1 . 2]" 3
4 1 33 PHE QE 1 35 TYR HA . . 5.500 3.274 2.997 3.544 . 0 0 "[ . 1 . 2]" 3
5 1 33 PHE QE 1 34 THR MG . . 5.500 5.996 5.775 6.132 0.632 13 11 "[*** . **-+*.*** 2]" 3
6 1 33 PHE QE 1 35 TYR H . . 5.500 4.972 4.722 5.124 . 0 0 "[ . 1 . 2]" 3
7 1 7 LEU QD 1 23 TYR QD . . 7.000 6.573 6.273 6.791 . 0 0 "[ . 1 . 2]" 3
8 1 4 PHE HZ 1 7 LEU QD . . 7.000 7.406 7.159 7.608 0.608 16 4 "[ * . * 1 -+ 2]" 3
9 1 4 PHE QE 1 54 THR MG . . 6.000 3.298 2.914 3.604 . 0 0 "[ . 1 . 2]" 3
10 1 9 PRO HB2 1 22 TYR QD . . 6.000 4.801 4.408 5.022 . 0 0 "[ . 1 . 2]" 3
11 1 9 PRO HB2 1 33 PHE QD . . 6.000 4.550 4.164 5.316 . 0 0 "[ . 1 . 2]" 3
12 1 9 PRO HB2 1 33 PHE QE . . 6.000 2.414 2.143 3.329 . 0 0 "[ . 1 . 2]" 3
13 1 9 PRO HB3 1 22 TYR QD . . 6.000 4.667 4.083 5.311 . 0 0 "[ . 1 . 2]" 3
14 1 9 PRO HB3 1 33 PHE QE . . 6.000 3.492 2.859 4.313 . 0 0 "[ . 1 . 2]" 3
15 1 9 PRO QG 1 22 TYR QD . . 6.000 2.440 2.236 2.903 . 0 0 "[ . 1 . 2]" 3
16 1 23 TYR QD 1 25 GLN QE . . 6.000 3.051 2.521 3.778 . 0 0 "[ . 1 . 2]" 3
17 1 10 SER H 1 40 GLY QA . . 6.000 2.284 1.931 2.667 . 0 0 "[ . 1 . 2]" 3
18 1 33 PHE QD 1 34 THR MG . . 6.000 4.875 4.539 5.082 . 0 0 "[ . 1 . 2]" 3
19 1 11 ALA H 1 39 GLY QA . . 6.000 6.177 4.958 6.840 0.840 10 6 "[ - * +** . * 2]" 3
20 1 11 ALA H 1 40 GLY QA . . 6.000 3.802 3.095 5.268 . 0 0 "[ . 1 . 2]" 3
21 1 11 ALA HA 1 39 GLY QA . . 6.000 4.746 2.933 5.967 . 0 0 "[ . 1 . 2]" 3
22 1 11 ALA HA 1 40 GLY QA . . 6.000 3.575 2.883 5.226 . 0 0 "[ . 1 . 2]" 3
23 1 10 SER HA 1 40 GLY H . . 6.000 4.828 4.239 5.857 . 0 0 "[ . 1 . 2]" 3
24 1 10 SER QB 1 39 GLY QA . . 6.000 3.957 3.360 5.167 . 0 0 "[ . 1 . 2]" 3
25 1 10 SER QB 1 40 GLY H . . 6.000 2.676 2.024 4.029 . 0 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 8
_Distance_constraint_stats_list.Viol_count 144
_Distance_constraint_stats_list.Viol_total 965.601
_Distance_constraint_stats_list.Viol_max 0.734
_Distance_constraint_stats_list.Viol_rms 0.2204
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3018
_Distance_constraint_stats_list.Viol_average_violations_only 0.3353
_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 48 ILE 1.730 0.194 18 0 "[ . 1 . 2]"
1 49 ASP 22.678 0.734 15 15 "[ ** ********+-***2]"
1 50 GLU 10.779 0.541 7 1 "[ . + 1 . 2]"
1 51 CYS 13.093 0.640 16 7 "[ .*- 1** *+ *2]"
1 52 ASN 1.730 0.194 18 0 "[ . 1 . 2]"
1 53 ARG 22.678 0.734 15 15 "[ ** ********+-***2]"
1 54 THR 10.779 0.541 7 1 "[ . + 1 . 2]"
1 55 CYS 13.093 0.640 16 7 "[ .*- 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 48 ILE O 1 52 ASN H . . 1.800 1.792 1.738 1.919 0.119 18 0 "[ . 1 . 2]" 4
2 1 48 ILE O 1 52 ASN N . . 2.700 2.769 2.699 2.894 0.194 18 0 "[ . 1 . 2]" 4
3 1 49 ASP O 1 53 ARG H . . 1.800 2.355 2.024 2.460 0.660 15 14 "[ ** ***** **+-***2]" 4
4 1 49 ASP O 1 53 ARG N . . 2.700 3.278 2.969 3.434 0.734 15 15 "[ ** *****-**+****2]" 4
5 1 50 GLU O 1 54 THR H . . 1.800 2.083 1.848 2.341 0.541 7 1 "[ . + 1 . 2]" 4
6 1 50 GLU O 1 54 THR N . . 2.700 2.956 2.771 3.142 0.442 7 0 "[ . 1 . 2]" 4
7 1 51 CYS O 1 55 CYS H . . 1.800 2.202 1.881 2.440 0.640 16 7 "[ .*- 1** *+ *2]" 4
8 1 51 CYS O 1 55 CYS N . . 2.700 2.953 2.725 3.116 0.416 1 0 "[ . 1 . 2]" 4
stop_
save_
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