NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
578097 |
2mar   |
19372 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mar
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 1253
_Distance_constraint_stats_list.Viol_count 2815
_Distance_constraint_stats_list.Viol_total 3396.866
_Distance_constraint_stats_list.Viol_max 0.476
_Distance_constraint_stats_list.Viol_rms 0.0277
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0068
_Distance_constraint_stats_list.Viol_average_violations_only 0.0603
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ASP 0.518 0.148 18 0 "[ . 1 . 2]"
1 3 THR 0.518 0.148 18 0 "[ . 1 . 2]"
1 4 PRO 0.062 0.062 17 0 "[ . 1 . 2]"
1 8 PRO 0.937 0.073 9 0 "[ . 1 . 2]"
1 9 PHE 3.951 0.174 9 0 "[ . 1 . 2]"
1 10 LEU 2.171 0.181 3 0 "[ . 1 . 2]"
1 11 ALA 0.341 0.073 9 0 "[ . 1 . 2]"
1 12 GLY 0.323 0.093 9 0 "[ . 1 . 2]"
1 13 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 PRO 1.333 0.117 9 0 "[ . 1 . 2]"
1 15 GLN 1.504 0.063 11 0 "[ . 1 . 2]"
1 16 ASP 0.746 0.048 17 0 "[ . 1 . 2]"
1 17 VAL 2.248 0.117 9 0 "[ . 1 . 2]"
1 18 VAL 0.003 0.003 14 0 "[ . 1 . 2]"
1 19 LYS 6.943 0.170 2 0 "[ . 1 . 2]"
1 20 ALA 2.949 0.170 2 0 "[ . 1 . 2]"
1 21 PHE 0.707 0.244 12 0 "[ . 1 . 2]"
1 22 PHE 2.076 0.094 18 0 "[ . 1 . 2]"
1 23 GLU 0.043 0.019 5 0 "[ . 1 . 2]"
1 24 LEU 4.926 0.244 12 0 "[ . 1 . 2]"
1 25 LEU 3.523 0.252 10 0 "[ . 1 . 2]"
1 26 LYS 2.014 0.125 11 0 "[ . 1 . 2]"
1 27 LYS 0.646 0.062 4 0 "[ . 1 . 2]"
1 28 ASP 0.610 0.176 3 0 "[ . 1 . 2]"
1 29 GLU 0.471 0.071 4 0 "[ . 1 . 2]"
1 30 THR 0.042 0.039 9 0 "[ . 1 . 2]"
1 31 LYS 0.504 0.061 10 0 "[ . 1 . 2]"
1 32 THR 4.061 0.174 10 0 "[ . 1 . 2]"
1 33 ASP 0.628 0.087 14 0 "[ . 1 . 2]"
1 34 PRO 2.400 0.192 19 0 "[ . 1 . 2]"
1 35 GLU 0.177 0.061 10 0 "[ . 1 . 2]"
1 36 ILE 4.166 0.269 19 0 "[ . 1 . 2]"
1 37 GLU 2.553 0.241 9 0 "[ . 1 . 2]"
1 38 LYS 2.697 0.241 9 0 "[ . 1 . 2]"
1 39 ASP 1.370 0.105 20 0 "[ . 1 . 2]"
1 40 LEU 12.179 0.327 12 0 "[ . 1 . 2]"
1 41 ASP 3.927 0.179 9 0 "[ . 1 . 2]"
1 42 ALA 3.927 0.171 10 0 "[ . 1 . 2]"
1 43 TRP 14.405 0.327 12 0 "[ . 1 . 2]"
1 44 VAL 8.688 0.207 1 0 "[ . 1 . 2]"
1 45 ASP 2.797 0.171 10 0 "[ . 1 . 2]"
1 46 THR 5.418 0.201 12 0 "[ . 1 . 2]"
1 47 LEU 10.932 0.207 1 0 "[ . 1 . 2]"
1 48 GLY 2.018 0.182 12 0 "[ . 1 . 2]"
1 49 GLY 2.906 0.182 12 0 "[ . 1 . 2]"
1 50 ASP 2.033 0.118 12 0 "[ . 1 . 2]"
1 51 TYR 2.899 0.137 4 0 "[ . 1 . 2]"
1 52 LYS 3.308 0.171 15 0 "[ . 1 . 2]"
1 53 ALA 1.733 0.080 9 0 "[ . 1 . 2]"
1 54 LYS 4.376 0.242 3 0 "[ . 1 . 2]"
1 55 PHE 3.484 0.174 6 0 "[ . 1 . 2]"
1 56 GLU 5.013 0.134 8 0 "[ . 1 . 2]"
1 57 THR 6.768 0.242 3 0 "[ . 1 . 2]"
1 58 PHE 3.342 0.177 19 0 "[ . 1 . 2]"
1 59 LYS 2.722 0.177 19 0 "[ . 1 . 2]"
1 60 LYS 1.676 0.082 19 0 "[ . 1 . 2]"
1 61 GLU 3.298 0.124 6 0 "[ . 1 . 2]"
1 62 MET 5.553 0.197 20 0 "[ . 1 . 2]"
1 63 LYS 2.748 0.153 13 0 "[ . 1 . 2]"
1 64 ALA 4.935 0.197 20 0 "[ . 1 . 2]"
1 65 LYS 1.347 0.070 5 0 "[ . 1 . 2]"
1 66 GLU 4.491 0.141 1 0 "[ . 1 . 2]"
1 67 ALA 1.324 0.076 17 0 "[ . 1 . 2]"
1 68 GLU 0.547 0.060 2 0 "[ . 1 . 2]"
1 69 LEU 1.777 0.141 1 0 "[ . 1 . 2]"
1 70 ALA 1.299 0.063 2 0 "[ . 1 . 2]"
1 71 LYS 0.762 0.061 17 0 "[ . 1 . 2]"
1 72 ALA 0.181 0.028 12 0 "[ . 1 . 2]"
1 73 HIS 0.104 0.037 16 0 "[ . 1 . 2]"
1 74 GLU 0.258 0.085 12 0 "[ . 1 . 2]"
1 75 GLU 0.863 0.181 12 0 "[ . 1 . 2]"
1 76 ALA 0.657 0.066 7 0 "[ . 1 . 2]"
1 77 VAL 1.680 0.121 14 0 "[ . 1 . 2]"
1 78 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 LYS 0.932 0.124 3 0 "[ . 1 . 2]"
1 80 MET 1.553 0.124 3 0 "[ . 1 . 2]"
1 81 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 PRO 1.860 0.129 1 0 "[ . 1 . 2]"
1 83 GLU 1.517 0.308 3 0 "[ . 1 . 2]"
1 84 ALA 1.980 0.129 1 0 "[ . 1 . 2]"
1 85 LYS 1.956 0.121 14 0 "[ . 1 . 2]"
1 86 LYS 2.180 0.111 4 0 "[ . 1 . 2]"
1 87 ALA 0.329 0.116 11 0 "[ . 1 . 2]"
1 88 ASP 0.330 0.181 12 0 "[ . 1 . 2]"
1 89 ALA 0.101 0.064 11 0 "[ . 1 . 2]"
1 90 GLU 1.643 0.116 11 0 "[ . 1 . 2]"
1 91 LEU 2.068 0.277 1 0 "[ . 1 . 2]"
1 92 SER 3.713 0.277 1 0 "[ . 1 . 2]"
1 93 LYS 4.319 0.144 1 0 "[ . 1 . 2]"
1 94 ILE 6.095 0.181 14 0 "[ . 1 . 2]"
1 95 ALA 4.104 0.147 10 0 "[ . 1 . 2]"
1 96 GLU 1.131 0.123 7 0 "[ . 1 . 2]"
1 97 ASP 3.821 0.376 3 0 "[ . 1 . 2]"
1 98 ASP 0.432 0.092 20 0 "[ . 1 . 2]"
1 99 SER 1.245 0.105 20 0 "[ . 1 . 2]"
1 100 LEU 3.948 0.376 3 0 "[ . 1 . 2]"
1 101 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 GLY 1.202 0.087 16 0 "[ . 1 . 2]"
1 103 ILE 5.528 0.202 15 0 "[ . 1 . 2]"
1 104 GLN 2.061 0.197 4 0 "[ . 1 . 2]"
1 105 LYS 1.065 0.096 4 0 "[ . 1 . 2]"
1 106 ALA 0.605 0.090 15 0 "[ . 1 . 2]"
1 107 GLN 0.619 0.057 11 0 "[ . 1 . 2]"
1 108 LYS 1.229 0.090 15 0 "[ . 1 . 2]"
1 109 ILE 5.038 0.202 15 0 "[ . 1 . 2]"
1 110 GLN 0.382 0.081 16 0 "[ . 1 . 2]"
1 111 ALA 1.724 0.129 4 0 "[ . 1 . 2]"
1 112 ILE 3.680 0.122 17 0 "[ . 1 . 2]"
1 113 TYR 2.336 0.203 11 0 "[ . 1 . 2]"
1 114 LYS 3.376 0.190 11 0 "[ . 1 . 2]"
1 115 THR 3.655 0.190 11 0 "[ . 1 . 2]"
1 116 LEU 2.653 0.244 8 0 "[ . 1 . 2]"
1 117 PRO 1.059 0.188 1 0 "[ . 1 . 2]"
1 118 GLN 0.037 0.037 2 0 "[ . 1 . 2]"
1 119 SER 1.500 0.110 6 0 "[ . 1 . 2]"
1 120 VAL 3.295 0.350 12 0 "[ . 1 . 2]"
1 121 LYS 3.446 0.350 12 0 "[ . 1 . 2]"
1 122 ASP 1.500 0.110 6 0 "[ . 1 . 2]"
1 123 GLU 13.561 0.476 8 0 "[ . 1 . 2]"
1 124 LEU 14.349 0.476 8 0 "[ . 1 . 2]"
1 125 GLU 0.301 0.032 12 0 "[ . 1 . 2]"
1 127 GLY 1.475 0.149 8 0 "[ . 1 . 2]"
1 128 ILE 0.732 0.137 19 0 "[ . 1 . 2]"
1 129 GLY 0.378 0.044 16 0 "[ . 1 . 2]"
1 130 PRO 0.139 0.063 13 0 "[ . 1 . 2]"
1 131 ALA 0.646 0.131 13 0 "[ . 1 . 2]"
1 132 VAL 0.854 0.131 13 0 "[ . 1 . 2]"
1 133 PRO 0.560 0.093 17 0 "[ . 1 . 2]"
1 134 GLN 0.357 0.090 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 57 THR HB 1 58 PHE H . . 3.790 3.565 2.573 3.839 0.049 6 0 "[ . 1 . 2]" 1
2 1 17 VAL HA 1 21 PHE H . . 4.830 4.016 3.934 4.114 . 0 0 "[ . 1 . 2]" 1
3 1 34 PRO HA 1 37 GLU QB . . 3.460 3.229 2.216 3.652 0.192 19 0 "[ . 1 . 2]" 1
4 1 44 VAL HA 1 47 LEU H . . 4.100 2.961 2.864 3.011 . 0 0 "[ . 1 . 2]" 1
5 1 44 VAL HA 1 46 THR H . . 5.100 3.562 3.460 3.690 . 0 0 "[ . 1 . 2]" 1
6 1 36 ILE HA 1 39 ASP HB2 . . 4.790 3.564 2.791 4.552 . 0 0 "[ . 1 . 2]" 1
7 1 36 ILE HA 1 39 ASP H . . 4.270 3.708 3.430 3.934 . 0 0 "[ . 1 . 2]" 1
8 1 109 ILE HA 1 112 ILE HB . . 5.130 5.053 3.362 5.195 0.065 16 0 "[ . 1 . 2]" 1
9 1 99 SER HB2 1 100 LEU H . . 4.400 3.934 3.213 4.320 . 0 0 "[ . 1 . 2]" 1
10 1 99 SER HB3 1 100 LEU H . . 4.400 3.677 3.225 4.265 . 0 0 "[ . 1 . 2]" 1
11 1 51 TYR HA 1 53 ALA H . . 4.640 3.929 3.849 4.003 . 0 0 "[ . 1 . 2]" 1
12 1 25 LEU HA 1 28 ASP H . . 4.020 3.132 2.844 3.335 . 0 0 "[ . 1 . 2]" 1
13 1 25 LEU HA 1 28 ASP HB2 . . 5.380 3.157 2.214 5.070 . 0 0 "[ . 1 . 2]" 1
14 1 52 LYS HA 1 55 PHE H . . 5.500 3.301 3.144 3.595 . 0 0 "[ . 1 . 2]" 1
15 1 52 LYS HA 1 55 PHE HB3 . . 4.510 2.749 2.406 4.439 . 0 0 "[ . 1 . 2]" 1
16 1 13 ALA HA 1 17 VAL HB . . 4.380 4.242 4.127 4.351 . 0 0 "[ . 1 . 2]" 1
17 1 49 GLY HA2 1 51 TYR H . . 4.980 4.314 4.205 4.536 . 0 0 "[ . 1 . 2]" 1
18 1 102 GLY HA3 1 105 LYS H . . 5.500 4.654 4.014 5.200 . 0 0 "[ . 1 . 2]" 1
19 1 10 LEU H 1 11 ALA HA . . 5.070 4.828 4.493 5.039 . 0 0 "[ . 1 . 2]" 1
20 1 69 LEU HB3 1 70 ALA H . . 5.500 2.835 2.341 3.413 . 0 0 "[ . 1 . 2]" 1
21 1 69 LEU HB2 1 70 ALA H . . 5.500 3.286 2.493 3.968 . 0 0 "[ . 1 . 2]" 1
22 1 58 PHE HB2 1 59 LYS H . . 5.500 3.127 2.478 4.127 . 0 0 "[ . 1 . 2]" 1
23 1 58 PHE HB3 1 59 LYS H . . 5.500 2.875 2.475 3.191 . 0 0 "[ . 1 . 2]" 1
24 1 38 LYS HA 1 41 ASP HB3 . . 3.960 3.359 2.675 4.046 0.086 7 0 "[ . 1 . 2]" 1
25 1 55 PHE HB2 1 56 GLU H . . 4.750 3.852 2.624 4.060 . 0 0 "[ . 1 . 2]" 1
26 1 73 HIS HB3 1 74 GLU H . . 5.500 2.915 2.564 3.532 . 0 0 "[ . 1 . 2]" 1
27 1 73 HIS HB2 1 74 GLU H . . 5.500 3.126 2.587 3.670 . 0 0 "[ . 1 . 2]" 1
28 1 59 LYS HB2 1 60 LYS H . . 5.500 3.742 3.177 3.992 . 0 0 "[ . 1 . 2]" 1
29 1 42 ALA HA 1 45 ASP H . . 3.710 3.837 3.779 3.881 0.171 10 0 "[ . 1 . 2]" 1
30 1 43 TRP HA 1 46 THR H . . 3.990 3.732 3.607 3.837 . 0 0 "[ . 1 . 2]" 1
31 1 90 GLU HA 1 93 LYS QB . . 4.120 4.124 4.038 4.206 0.086 19 0 "[ . 1 . 2]" 1
32 1 72 ALA HA 1 75 GLU H . . 3.640 3.638 3.579 3.668 0.028 12 0 "[ . 1 . 2]" 1
33 1 83 GLU HA 1 86 LYS QB . . 3.540 2.868 2.620 3.303 . 0 0 "[ . 1 . 2]" 1
34 1 32 THR HB 1 34 PRO HD2 . . 3.870 2.166 2.063 2.279 . 0 0 "[ . 1 . 2]" 1
35 1 58 PHE QD 1 59 LYS HA . . 5.470 4.867 3.761 5.637 0.167 9 0 "[ . 1 . 2]" 1
36 1 81 THR H 1 82 PRO HD2 . . 5.500 4.864 4.807 4.970 . 0 0 "[ . 1 . 2]" 1
37 1 56 GLU HA 1 59 LYS HE2 . . 4.610 4.206 3.360 4.670 0.060 18 0 "[ . 1 . 2]" 1
38 1 31 LYS HA 1 31 LYS QD . . 3.840 2.535 2.178 3.782 . 0 0 "[ . 1 . 2]" 1
39 1 29 GLU H 1 29 GLU QG . . 3.940 3.416 2.365 3.887 . 0 0 "[ . 1 . 2]" 1
40 1 109 ILE H 1 109 ILE QG . . 4.840 2.124 2.023 2.267 . 0 0 "[ . 1 . 2]" 1
41 1 86 LYS H 1 86 LYS QG . . 2.740 2.149 2.006 2.313 . 0 0 "[ . 1 . 2]" 1
42 1 112 ILE H 1 112 ILE HG12 . . 4.170 2.993 2.183 3.614 . 0 0 "[ . 1 . 2]" 1
43 1 109 ILE HA 1 112 ILE MG . . 6.520 4.173 3.952 4.717 . 0 0 "[ . 1 . 2]" 1
44 1 43 TRP HA 1 46 THR MG . . 5.000 4.874 3.378 5.029 0.029 13 0 "[ . 1 . 2]" 1
45 1 10 LEU HA 1 13 ALA MB . . 6.520 5.455 5.247 5.887 . 0 0 "[ . 1 . 2]" 1
46 1 73 HIS HA 1 76 ALA MB . . 5.130 2.876 2.708 3.148 . 0 0 "[ . 1 . 2]" 1
47 1 3 THR MG 1 4 PRO HD2 . . 4.270 2.430 2.197 2.632 . 0 0 "[ . 1 . 2]" 1
48 1 13 ALA MB 1 14 PRO HD2 . . 3.850 2.148 2.071 2.219 . 0 0 "[ . 1 . 2]" 1
49 1 61 GLU HA 1 64 ALA MB . . 2.810 2.546 2.335 2.792 . 0 0 "[ . 1 . 2]" 1
50 1 70 ALA MB 1 73 HIS H . . 5.770 4.834 4.769 4.917 . 0 0 "[ . 1 . 2]" 1
51 1 115 THR H 1 115 THR MG . . 4.060 2.810 2.243 3.881 . 0 0 "[ . 1 . 2]" 1
52 1 94 ILE H 1 94 ILE MD . . 4.540 4.279 3.947 4.540 . 7 0 "[ . 1 . 2]" 1
53 1 94 ILE MD 1 95 ALA H . . 4.880 4.904 4.834 4.950 0.070 7 0 "[ . 1 . 2]" 1
54 1 8 PRO QG 1 9 PHE QB . . 6.170 5.858 5.617 6.066 . 0 0 "[ . 1 . 2]" 1
55 1 8 PRO QD 1 9 PHE H . . 4.960 4.955 4.896 4.992 0.032 10 0 "[ . 1 . 2]" 1
56 1 10 LEU QD 1 21 PHE H . . 4.760 4.311 4.074 4.646 . 0 0 "[ . 1 . 2]" 1
57 1 10 LEU QD 1 21 PHE QD . . 4.850 3.302 2.964 3.794 . 0 0 "[ . 1 . 2]" 1
58 1 10 LEU QD 1 21 PHE QE . . 5.150 4.465 4.127 4.963 . 0 0 "[ . 1 . 2]" 1
59 1 20 ALA HA 1 23 GLU QB . . 3.250 2.991 2.729 3.194 . 0 0 "[ . 1 . 2]" 1
60 1 22 PHE HA 1 25 LEU QD . . 4.760 3.964 3.307 4.480 . 0 0 "[ . 1 . 2]" 1
61 1 25 LEU H 1 25 LEU QD . . 2.920 2.728 2.147 2.967 0.047 12 0 "[ . 1 . 2]" 1
62 1 34 PRO QD 1 35 GLU H . . 4.270 2.831 2.699 3.030 . 0 0 "[ . 1 . 2]" 1
63 1 70 ALA HA 1 73 HIS QB . . 3.550 2.624 2.432 2.812 . 0 0 "[ . 1 . 2]" 1
64 1 75 GLU H 1 88 ASP QB . . 6.380 5.479 5.087 6.561 0.181 12 0 "[ . 1 . 2]" 1
65 1 77 VAL QG 1 88 ASP QB . . 7.260 2.304 2.104 2.572 . 0 0 "[ . 1 . 2]" 1
66 1 97 ASP QB 1 100 LEU HG . . 4.370 3.205 2.280 4.500 0.130 15 0 "[ . 1 . 2]" 1
67 1 99 SER HA 1 99 SER QB . . 2.520 2.451 2.390 2.517 . 0 0 "[ . 1 . 2]" 1
68 1 101 ASN QB 1 102 GLY H . . 3.470 2.419 2.010 2.759 . 0 0 "[ . 1 . 2]" 1
69 1 128 ILE H 1 128 ILE QG . . 3.410 2.562 2.293 3.421 0.011 19 0 "[ . 1 . 2]" 1
70 1 18 VAL HA 1 21 PHE H . . 4.210 3.557 3.450 3.648 . 0 0 "[ . 1 . 2]" 1
71 1 82 PRO HA 1 85 LYS QB . . 3.960 3.069 2.647 3.436 . 0 0 "[ . 1 . 2]" 1
72 1 77 VAL HA 1 80 MET H . . 3.600 3.270 2.891 3.466 . 0 0 "[ . 1 . 2]" 1
73 1 94 ILE HA 1 97 ASP HB2 . . 5.500 3.775 2.329 5.083 . 0 0 "[ . 1 . 2]" 1
74 1 94 ILE HA 1 97 ASP HB3 . . 5.500 4.125 2.176 5.057 . 0 0 "[ . 1 . 2]" 1
75 1 93 LYS H 1 94 ILE HA . . 5.100 5.219 5.197 5.244 0.144 1 0 "[ . 1 . 2]" 1
76 1 55 PHE HA 1 58 PHE HB3 . . 4.270 3.437 2.317 4.312 0.042 13 0 "[ . 1 . 2]" 1
77 1 128 ILE HB 1 129 GLY H . . 5.500 4.306 4.241 4.409 . 0 0 "[ . 1 . 2]" 1
78 1 38 LYS HA 1 41 ASP HB2 . . 3.960 3.347 2.514 4.016 0.056 4 0 "[ . 1 . 2]" 1
79 1 110 GLN HA 1 113 TYR QB . . 5.360 2.240 2.055 2.428 . 0 0 "[ . 1 . 2]" 1
80 1 41 ASP HA 1 44 VAL H . . 4.760 3.249 3.068 3.420 . 0 0 "[ . 1 . 2]" 1
81 1 45 ASP HA 1 48 GLY H . . 5.220 4.552 4.330 5.009 . 0 0 "[ . 1 . 2]" 1
82 1 55 PHE HA 1 58 PHE HB2 . . 4.270 3.069 2.361 4.174 . 0 0 "[ . 1 . 2]" 1
83 1 88 ASP HA 1 91 LEU QB . . 6.100 2.517 2.173 3.081 . 0 0 "[ . 1 . 2]" 1
84 1 63 LYS HA 1 66 GLU QB . . 4.360 2.760 2.573 4.232 . 0 0 "[ . 1 . 2]" 1
85 1 70 ALA HA 1 73 HIS HB2 . . 4.080 2.887 2.461 3.401 . 0 0 "[ . 1 . 2]" 1
86 1 118 GLN HB3 1 119 SER H . . 5.500 3.534 2.914 3.877 . 0 0 "[ . 1 . 2]" 1
87 1 77 VAL H 1 77 VAL HB . . 3.180 2.346 2.294 2.471 . 0 0 "[ . 1 . 2]" 1
88 1 2 ASP QB 1 3 THR HB . . 6.380 5.758 4.964 6.528 0.148 18 0 "[ . 1 . 2]" 1
89 1 34 PRO HA 1 37 GLU QG . . 3.870 2.243 1.853 3.383 . 0 0 "[ . 1 . 2]" 1
90 1 22 PHE HA 1 25 LEU HG . . 5.310 4.475 3.718 5.404 0.094 18 0 "[ . 1 . 2]" 1
91 1 53 ALA HA 1 56 GLU QG . . 4.490 2.685 2.166 3.042 . 0 0 "[ . 1 . 2]" 1
92 1 43 TRP HH2 1 47 LEU HB2 . . 5.500 5.578 5.517 5.636 0.136 12 0 "[ . 1 . 2]" 1
93 1 120 VAL HA 1 123 GLU HG2 . . 4.110 2.147 2.079 2.664 . 0 0 "[ . 1 . 2]" 1
94 1 38 LYS H 1 38 LYS QG . . 3.860 3.630 2.445 3.967 0.107 9 0 "[ . 1 . 2]" 1
95 1 79 LYS H 1 79 LYS QG . . 4.030 2.167 1.999 2.471 . 0 0 "[ . 1 . 2]" 1
96 1 37 GLU H 1 37 GLU QG . . 4.310 2.935 2.147 3.979 . 0 0 "[ . 1 . 2]" 1
97 1 96 GLU H 1 96 GLU QG . . 3.410 2.805 2.142 3.385 . 0 0 "[ . 1 . 2]" 1
98 1 92 SER HA 1 95 ALA MB . . 4.440 2.703 2.542 2.927 . 0 0 "[ . 1 . 2]" 1
99 1 10 LEU HA 1 10 LEU MD2 . . 4.540 3.700 3.572 3.794 . 0 0 "[ . 1 . 2]" 1
100 1 97 ASP HB3 1 100 LEU MD2 . . 5.110 3.466 2.084 5.194 0.084 7 0 "[ . 1 . 2]" 1
101 1 33 ASP HA 1 36 ILE MG . . 6.520 4.749 4.267 4.970 . 0 0 "[ . 1 . 2]" 1
102 1 69 LEU HA 1 69 LEU QD . . 3.990 2.576 2.162 3.164 . 0 0 "[ . 1 . 2]" 1
103 1 20 ALA MB 1 43 TRP HE1 . . 6.520 5.880 5.291 6.445 . 0 0 "[ . 1 . 2]" 1
104 1 43 TRP HZ2 1 47 LEU MD2 . . 5.070 5.017 4.402 5.097 0.027 10 0 "[ . 1 . 2]" 1
105 1 47 LEU H 1 47 LEU MD1 . . 4.380 3.849 3.802 3.904 . 0 0 "[ . 1 . 2]" 1
106 1 84 ALA MB 1 85 LYS H . . 3.260 2.579 2.422 2.750 . 0 0 "[ . 1 . 2]" 1
107 1 103 ILE MD 1 104 GLN HA . . 4.650 4.316 3.935 4.704 0.054 11 0 "[ . 1 . 2]" 1
108 1 69 LEU HA 1 72 ALA MB . . 6.520 2.894 2.785 3.029 . 0 0 "[ . 1 . 2]" 1
109 1 94 ILE HA 1 94 ILE MD . . 3.850 3.166 2.007 3.826 . 0 0 "[ . 1 . 2]" 1
110 1 124 LEU QD 1 125 GLU HA . . 3.260 2.839 2.705 3.070 . 0 0 "[ . 1 . 2]" 1
111 1 10 LEU QD 1 18 VAL HA . . 4.760 4.220 3.834 4.410 . 0 0 "[ . 1 . 2]" 1
112 1 18 VAL HA 1 21 PHE QB . . 4.080 2.427 2.328 2.543 . 0 0 "[ . 1 . 2]" 1
113 1 21 PHE HA 1 24 LEU QB . . 3.350 2.749 2.617 3.030 . 0 0 "[ . 1 . 2]" 1
114 1 22 PHE HA 1 25 LEU QB . . 3.870 2.524 2.291 2.920 . 0 0 "[ . 1 . 2]" 1
115 1 24 LEU HA 1 27 LYS QB . . 5.340 3.495 2.878 5.016 . 0 0 "[ . 1 . 2]" 1
116 1 41 ASP HA 1 44 VAL QG . . 4.280 2.195 1.913 2.481 . 0 0 "[ . 1 . 2]" 1
117 1 41 ASP QB 1 42 ALA H . . 3.010 2.759 2.629 3.033 0.023 12 0 "[ . 1 . 2]" 1
118 1 42 ALA HA 1 45 ASP QB . . 4.220 3.343 3.228 3.424 . 0 0 "[ . 1 . 2]" 1
119 1 43 TRP HH2 1 47 LEU QD . . 4.460 2.203 2.129 2.252 . 0 0 "[ . 1 . 2]" 1
120 1 47 LEU QD 1 51 TYR QD . . 8.440 2.952 2.420 3.812 . 0 0 "[ . 1 . 2]" 1
121 1 49 GLY QA 1 51 TYR H . . 4.010 3.498 3.075 4.107 0.097 3 0 "[ . 1 . 2]" 1
122 1 56 GLU HA 1 59 LYS QB . . 3.450 3.112 2.891 3.378 . 0 0 "[ . 1 . 2]" 1
123 1 59 LYS QB 1 59 LYS QE . . 3.550 2.318 2.086 2.691 . 0 0 "[ . 1 . 2]" 1
124 1 90 GLU QB 1 91 LEU H . . 3.510 2.636 2.401 2.790 . 0 0 "[ . 1 . 2]" 1
125 1 94 ILE HA 1 97 ASP QB . . 3.580 3.270 2.161 3.761 0.181 14 0 "[ . 1 . 2]" 1
126 1 94 ILE QG 1 95 ALA HA . . 4.240 4.253 4.091 4.310 0.070 3 0 "[ . 1 . 2]" 1
127 1 97 ASP QB 1 100 LEU QB . . 4.520 2.853 1.946 4.116 . 0 0 "[ . 1 . 2]" 1
128 1 100 LEU QD 1 101 ASN H . . 4.280 3.650 2.626 4.254 . 0 0 "[ . 1 . 2]" 1
129 1 105 LYS H 1 105 LYS QG . . 3.790 2.907 2.479 3.886 0.096 4 0 "[ . 1 . 2]" 1
130 1 127 GLY QA 1 130 PRO QB . . 4.670 4.270 2.941 4.681 0.011 1 0 "[ . 1 . 2]" 1
131 1 16 ASP H 1 19 LYS H . . 5.480 4.928 4.887 4.964 . 0 0 "[ . 1 . 2]" 1
132 1 12 GLY H 1 13 ALA H . . 3.860 1.893 1.775 2.072 . 0 0 "[ . 1 . 2]" 1
133 1 37 GLU H 1 38 LYS H . . 4.140 2.936 2.858 3.092 . 0 0 "[ . 1 . 2]" 1
134 1 119 SER H 1 122 ASP H . . 4.570 4.645 4.611 4.680 0.110 6 0 "[ . 1 . 2]" 1
135 1 58 PHE H 1 59 LYS H . . 4.170 2.818 2.651 2.907 . 0 0 "[ . 1 . 2]" 1
136 1 31 LYS H 1 32 THR H . . 5.230 4.573 4.502 4.667 . 0 0 "[ . 1 . 2]" 1
137 1 46 THR H 1 47 LEU H . . 3.620 2.223 2.089 2.337 . 0 0 "[ . 1 . 2]" 1
138 1 94 ILE H 1 95 ALA H . . 3.100 2.762 2.665 2.872 . 0 0 "[ . 1 . 2]" 1
139 1 96 GLU H 1 97 ASP H . . 3.700 2.326 1.982 2.633 . 0 0 "[ . 1 . 2]" 1
140 1 51 TYR H 1 52 LYS H . . 3.840 2.773 2.481 2.940 . 0 0 "[ . 1 . 2]" 1
141 1 34 PRO HA 1 37 GLU H . . 4.490 3.585 3.377 3.764 . 0 0 "[ . 1 . 2]" 1
142 1 19 LYS HA 1 22 PHE H . . 4.430 3.410 3.311 3.633 . 0 0 "[ . 1 . 2]" 1
143 1 22 PHE HB3 1 23 GLU H . . 3.320 2.952 2.784 3.253 . 0 0 "[ . 1 . 2]" 1
144 1 45 ASP HB3 1 46 THR H . . 4.290 3.253 3.069 3.369 . 0 0 "[ . 1 . 2]" 1
145 1 39 ASP HB2 1 40 LEU H . . 4.470 3.471 2.904 3.956 . 0 0 "[ . 1 . 2]" 1
146 1 32 THR H 1 35 GLU QB . . 4.000 2.074 1.743 2.371 . 0 0 "[ . 1 . 2]" 1
147 1 35 GLU QB 1 36 ILE H . . 4.910 2.682 2.377 2.809 . 0 0 "[ . 1 . 2]" 1
148 1 38 LYS H 1 39 ASP H . . 2.990 2.937 2.835 3.032 0.042 9 0 "[ . 1 . 2]" 1
149 1 103 ILE HB 1 104 GLN H . . 3.740 3.796 3.710 3.937 0.197 4 0 "[ . 1 . 2]" 1
150 1 47 LEU H 1 48 GLY H . . 3.240 2.929 2.780 3.065 . 0 0 "[ . 1 . 2]" 1
151 1 37 GLU QB 1 38 LYS H . . 4.400 3.367 2.473 3.589 . 0 0 "[ . 1 . 2]" 1
152 1 35 GLU HA 1 38 LYS H . . 4.430 3.876 3.641 4.006 . 0 0 "[ . 1 . 2]" 1
153 1 93 LYS H 1 94 ILE H . . 2.800 2.637 2.580 2.681 . 0 0 "[ . 1 . 2]" 1
154 1 21 PHE H 1 22 PHE H . . 3.840 2.995 2.957 3.040 . 0 0 "[ . 1 . 2]" 1
155 1 113 TYR H 1 114 LYS H . . 4.120 2.888 2.750 3.004 . 0 0 "[ . 1 . 2]" 1
156 1 48 GLY H 1 49 GLY H . . 4.810 3.542 2.678 4.272 . 0 0 "[ . 1 . 2]" 1
157 1 119 SER HA 1 122 ASP H . . 5.500 3.852 3.562 4.029 . 0 0 "[ . 1 . 2]" 1
158 1 41 ASP HB2 1 42 ALA H . . 3.890 3.608 2.962 3.995 0.105 20 0 "[ . 1 . 2]" 1
159 1 50 ASP HA 1 53 ALA H . . 3.890 3.823 3.682 3.964 0.074 9 0 "[ . 1 . 2]" 1
160 1 58 PHE HA 1 61 GLU H . . 3.790 3.471 3.333 3.620 . 0 0 "[ . 1 . 2]" 1
161 1 85 LYS HA 1 88 ASP H . . 3.870 3.790 3.643 3.916 0.046 10 0 "[ . 1 . 2]" 1
162 1 91 LEU QB 1 92 SER H . . 3.450 2.810 2.660 2.966 . 0 0 "[ . 1 . 2]" 1
163 1 95 ALA HA 1 96 GLU H . . 3.480 3.498 3.438 3.534 0.054 8 0 "[ . 1 . 2]" 1
164 1 96 GLU HB3 1 97 ASP H . . 5.500 3.989 3.583 4.582 . 0 0 "[ . 1 . 2]" 1
165 1 96 GLU HB2 1 97 ASP H . . 5.500 3.528 2.961 4.593 . 0 0 "[ . 1 . 2]" 1
166 1 95 ALA H 1 96 GLU H . . 4.320 2.875 2.740 2.965 . 0 0 "[ . 1 . 2]" 1
167 1 94 ILE HB 1 95 ALA H . . 4.080 4.028 3.985 4.086 0.006 12 0 "[ . 1 . 2]" 1
168 1 122 ASP H 1 125 GLU H . . 5.340 4.654 4.568 4.702 . 0 0 "[ . 1 . 2]" 1
169 1 128 ILE H 1 129 GLY H . . 3.830 3.253 2.748 3.742 . 0 0 "[ . 1 . 2]" 1
170 1 104 GLN H 1 105 LYS H . . 4.030 2.987 2.890 3.193 . 0 0 "[ . 1 . 2]" 1
171 1 102 GLY H 1 103 ILE H . . 3.520 3.184 1.978 3.600 0.080 15 0 "[ . 1 . 2]" 1
172 1 15 GLN HA 1 18 VAL H . . 3.360 3.183 3.054 3.314 . 0 0 "[ . 1 . 2]" 1
173 1 40 LEU HA 1 43 TRP H . . 3.870 3.885 3.739 3.951 0.081 16 0 "[ . 1 . 2]" 1
174 1 21 PHE QD 1 22 PHE H . . 4.310 2.833 2.644 2.994 . 0 0 "[ . 1 . 2]" 1
175 1 118 GLN HA 1 118 GLN HE22 . . 5.500 4.118 3.478 4.798 . 0 0 "[ . 1 . 2]" 1
176 1 19 LYS QE 1 20 ALA H . . 4.620 4.737 4.691 4.790 0.170 2 0 "[ . 1 . 2]" 1
177 1 90 GLU H 1 90 GLU QG . . 4.140 3.766 2.489 4.121 . 0 0 "[ . 1 . 2]" 1
178 1 110 GLN H 1 110 GLN QG . . 2.690 2.448 2.094 2.635 . 0 0 "[ . 1 . 2]" 1
179 1 60 LYS H 1 60 LYS QG . . 2.920 2.553 2.158 2.799 . 0 0 "[ . 1 . 2]" 1
180 1 52 LYS H 1 52 LYS QG . . 2.960 2.156 1.962 2.490 . 0 0 "[ . 1 . 2]" 1
181 1 40 LEU HG 1 41 ASP H . . 5.020 4.990 4.833 5.050 0.030 1 0 "[ . 1 . 2]" 1
182 1 94 ILE H 1 94 ILE HG13 . . 4.790 4.455 4.306 4.657 . 0 0 "[ . 1 . 2]" 1
183 1 54 LYS H 1 54 LYS HD3 . . 4.000 3.676 2.969 4.165 0.165 6 0 "[ . 1 . 2]" 1
184 1 33 ASP H 1 34 PRO HD2 . . 4.730 2.598 2.456 2.689 . 0 0 "[ . 1 . 2]" 1
185 1 74 GLU H 1 74 GLU QG . . 4.420 3.942 3.846 4.009 . 0 0 "[ . 1 . 2]" 1
186 1 78 ALA MB 1 79 LYS H . . 4.100 2.779 2.606 2.999 . 0 0 "[ . 1 . 2]" 1
187 1 18 VAL MG2 1 19 LYS H . . 5.500 3.998 3.943 4.092 . 0 0 "[ . 1 . 2]" 1
188 1 120 VAL MG2 1 121 LYS H . . 3.890 3.720 2.652 3.934 0.044 2 0 "[ . 1 . 2]" 1
189 1 124 LEU QD 1 125 GLU H . . 4.470 3.210 2.931 3.295 . 0 0 "[ . 1 . 2]" 1
190 1 57 THR MG 1 58 PHE H . . 4.170 2.691 2.215 4.113 . 0 0 "[ . 1 . 2]" 1
191 1 109 ILE MD 1 110 GLN H . . 5.300 4.747 4.507 4.966 . 0 0 "[ . 1 . 2]" 1
192 1 124 LEU H 1 124 LEU QD . . 4.530 3.231 3.033 3.281 . 0 0 "[ . 1 . 2]" 1
193 1 76 ALA MB 1 77 VAL H . . 3.200 2.718 2.394 2.878 . 0 0 "[ . 1 . 2]" 1
194 1 72 ALA MB 1 73 HIS H . . 3.060 2.448 2.390 2.613 . 0 0 "[ . 1 . 2]" 1
195 1 30 THR MG 1 31 LYS H . . 6.520 4.375 4.155 4.446 . 0 0 "[ . 1 . 2]" 1
196 1 24 LEU H 1 24 LEU MD1 . . 4.750 4.034 3.864 4.273 . 0 0 "[ . 1 . 2]" 1
197 1 17 VAL QG 1 18 VAL H . . 4.120 3.207 3.085 3.298 . 0 0 "[ . 1 . 2]" 1
198 1 47 LEU QD 1 48 GLY H . . 4.550 3.942 3.827 4.075 . 0 0 "[ . 1 . 2]" 1
199 1 56 GLU QB 1 57 THR H . . 3.380 3.423 3.387 3.484 0.104 16 0 "[ . 1 . 2]" 1
200 1 58 PHE QB 1 59 LYS H . . 3.610 2.549 2.360 2.939 . 0 0 "[ . 1 . 2]" 1
201 1 59 LYS H 1 59 LYS QG . . 4.400 3.965 3.405 4.084 . 0 0 "[ . 1 . 2]" 1
202 1 82 PRO QD 1 83 GLU H . . 4.050 2.820 2.749 2.870 . 0 0 "[ . 1 . 2]" 1
203 1 91 LEU QD 1 92 SER H . . 4.000 4.095 3.887 4.277 0.277 1 0 "[ . 1 . 2]" 1
204 1 118 GLN H 1 118 GLN QG . . 4.330 3.314 2.382 4.112 . 0 0 "[ . 1 . 2]" 1
205 1 46 THR HB 1 47 LEU H . . 4.080 3.494 3.104 4.112 0.032 12 0 "[ . 1 . 2]" 1
206 1 17 VAL HA 1 20 ALA H . . 3.910 3.411 3.322 3.485 . 0 0 "[ . 1 . 2]" 1
207 1 14 PRO HA 1 17 VAL HB . . 4.880 4.944 4.917 4.997 0.117 9 0 "[ . 1 . 2]" 1
208 1 22 PHE HA 1 25 LEU HB3 . . 4.650 3.599 3.275 4.158 . 0 0 "[ . 1 . 2]" 1
209 1 92 SER HA 1 95 ALA H . . 4.140 3.626 3.528 3.730 . 0 0 "[ . 1 . 2]" 1
210 1 58 PHE HA 1 61 GLU HB2 . . 4.730 3.801 3.531 4.094 . 0 0 "[ . 1 . 2]" 1
211 1 118 GLN HA 1 121 LYS QB . . 4.660 2.223 2.112 2.477 . 0 0 "[ . 1 . 2]" 1
212 1 56 GLU HA 1 59 LYS H . . 5.260 3.892 3.616 4.008 . 0 0 "[ . 1 . 2]" 1
213 1 53 ALA H 1 54 LYS HA . . 5.500 5.323 5.218 5.404 . 0 0 "[ . 1 . 2]" 1
214 1 122 ASP HA 1 125 GLU QB . . 3.730 2.277 2.199 2.401 . 0 0 "[ . 1 . 2]" 1
215 1 102 GLY HA2 1 105 LYS H . . 5.500 4.136 3.559 4.485 . 0 0 "[ . 1 . 2]" 1
216 1 40 LEU HB3 1 41 ASP H . . 4.110 3.181 3.069 3.261 . 0 0 "[ . 1 . 2]" 1
217 1 40 LEU HB2 1 41 ASP H . . 4.110 2.733 2.554 2.816 . 0 0 "[ . 1 . 2]" 1
218 1 25 LEU HB3 1 26 LYS H . . 3.490 3.080 2.820 3.504 0.014 10 0 "[ . 1 . 2]" 1
219 1 91 LEU HA 1 94 ILE HB . . 4.420 4.087 3.920 4.233 . 0 0 "[ . 1 . 2]" 1
220 1 2 ASP QB 1 3 THR H . . 4.200 3.118 2.040 4.038 . 0 0 "[ . 1 . 2]" 1
221 1 43 TRP HB2 1 44 VAL H . . 4.420 4.200 4.148 4.268 . 0 0 "[ . 1 . 2]" 1
222 1 33 ASP HA 1 36 ILE HB . . 3.620 3.459 3.023 3.648 0.028 3 0 "[ . 1 . 2]" 1
223 1 118 GLN HB2 1 119 SER H . . 5.500 3.488 3.025 4.122 . 0 0 "[ . 1 . 2]" 1
224 1 59 LYS HB3 1 60 LYS H . . 5.500 2.605 2.371 2.895 . 0 0 "[ . 1 . 2]" 1
225 1 60 LYS HA 1 60 LYS QD . . 4.190 3.437 2.218 4.272 0.082 19 0 "[ . 1 . 2]" 1
226 1 122 ASP HA 1 125 GLU QG . . 4.690 3.430 2.731 3.857 . 0 0 "[ . 1 . 2]" 1
227 1 81 THR H 1 82 PRO HD3 . . 5.500 5.132 4.997 5.217 . 0 0 "[ . 1 . 2]" 1
228 1 43 TRP HH2 1 47 LEU HB3 . . 5.500 5.535 5.386 5.573 0.073 9 0 "[ . 1 . 2]" 1
229 1 113 TYR HA 1 113 TYR QD . . 3.900 2.877 2.588 3.030 . 0 0 "[ . 1 . 2]" 1
230 1 63 LYS QB 1 63 LYS QE . . 3.190 2.835 2.282 3.314 0.124 9 0 "[ . 1 . 2]" 1
231 1 120 VAL HA 1 123 GLU HG3 . . 4.110 3.687 2.616 3.995 . 0 0 "[ . 1 . 2]" 1
232 1 112 ILE H 1 112 ILE HG13 . . 4.170 2.595 2.084 3.539 . 0 0 "[ . 1 . 2]" 1
233 1 24 LEU H 1 24 LEU HG . . 4.740 4.557 4.496 4.594 . 0 0 "[ . 1 . 2]" 1
234 1 53 ALA MB 1 54 LYS HA . . 5.250 4.021 3.920 4.088 . 0 0 "[ . 1 . 2]" 1
235 1 25 LEU HA 1 36 ILE MG . . 6.520 4.026 3.116 6.096 . 0 0 "[ . 1 . 2]" 1
236 1 94 ILE MD 1 95 ALA HA . . 5.270 5.329 5.208 5.417 0.147 10 0 "[ . 1 . 2]" 1
237 1 97 ASP HB3 1 100 LEU MD1 . . 5.110 3.392 1.962 5.195 0.085 4 0 "[ . 1 . 2]" 1
238 1 112 ILE MD 1 113 TYR HA . . 6.520 3.696 2.769 5.850 . 0 0 "[ . 1 . 2]" 1
239 1 103 ILE MD 1 109 ILE QG . . 5.760 5.905 5.859 5.962 0.202 15 0 "[ . 1 . 2]" 1
240 1 97 ASP HB2 1 100 LEU MD2 . . 5.110 4.016 2.434 5.145 0.035 2 0 "[ . 1 . 2]" 1
241 1 97 ASP HB2 1 100 LEU MD1 . . 5.110 3.683 2.259 5.184 0.074 12 0 "[ . 1 . 2]" 1
242 1 25 LEU HA 1 25 LEU MD1 . . 3.870 2.269 2.126 2.675 . 0 0 "[ . 1 . 2]" 1
243 1 86 LYS HA 1 89 ALA MB . . 4.260 2.825 2.663 3.101 . 0 0 "[ . 1 . 2]" 1
244 1 115 THR MG 1 116 LEU H . . 4.700 3.854 2.574 4.439 . 0 0 "[ . 1 . 2]" 1
245 1 21 PHE QD 1 40 LEU QD . . 4.100 2.197 1.988 2.594 . 0 0 "[ . 1 . 2]" 1
246 1 24 LEU H 1 24 LEU QD . . 4.010 3.702 3.609 3.779 . 0 0 "[ . 1 . 2]" 1
247 1 29 GLU HA 1 29 GLU QB . . 2.560 2.378 2.153 2.501 . 0 0 "[ . 1 . 2]" 1
248 1 39 ASP H 1 39 ASP QB . . 3.060 2.182 2.105 2.331 . 0 0 "[ . 1 . 2]" 1
249 1 44 VAL QG 1 47 LEU QD . . 4.170 1.957 1.920 2.012 . 0 0 "[ . 1 . 2]" 1
250 1 46 THR H 1 47 LEU QD . . 5.220 4.652 4.624 4.685 . 0 0 "[ . 1 . 2]" 1
251 1 72 ALA HA 1 75 GLU QB . . 4.820 2.678 2.544 2.974 . 0 0 "[ . 1 . 2]" 1
252 1 92 SER QB 1 93 LYS H . . 3.580 2.640 2.523 2.752 . 0 0 "[ . 1 . 2]" 1
253 1 98 ASP HA 1 99 SER QB . . 5.230 5.142 4.854 5.322 0.092 20 0 "[ . 1 . 2]" 1
254 1 113 TYR HA 1 116 LEU QD . . 4.490 2.775 1.947 3.896 . 0 0 "[ . 1 . 2]" 1
255 1 118 GLN HA 1 122 ASP QB . . 5.340 4.367 4.079 4.984 . 0 0 "[ . 1 . 2]" 1
256 1 120 VAL HA 1 123 GLU QB . . 3.390 3.401 3.062 3.474 0.084 2 0 "[ . 1 . 2]" 1
257 1 120 VAL QG 1 121 LYS H . . 3.550 2.314 2.198 2.619 . 0 0 "[ . 1 . 2]" 1
258 1 129 GLY H 1 130 PRO QD . . 2.990 2.707 2.460 2.788 . 0 0 "[ . 1 . 2]" 1
259 1 132 VAL QG 1 133 PRO QD . . 4.190 2.635 2.121 3.403 . 0 0 "[ . 1 . 2]" 1
260 1 88 ASP H 1 89 ALA H . . 3.910 2.812 2.731 2.942 . 0 0 "[ . 1 . 2]" 1
261 1 84 ALA H 1 85 LYS H . . 3.580 2.727 2.661 2.838 . 0 0 "[ . 1 . 2]" 1
262 1 85 LYS H 1 86 LYS H . . 3.570 2.834 2.795 2.862 . 0 0 "[ . 1 . 2]" 1
263 1 35 GLU H 1 36 ILE H . . 3.880 2.745 2.592 2.840 . 0 0 "[ . 1 . 2]" 1
264 1 56 GLU H 1 57 THR H . . 3.260 2.866 2.787 2.971 . 0 0 "[ . 1 . 2]" 1
265 1 110 GLN H 1 111 ALA H . . 3.050 2.780 2.711 2.834 . 0 0 "[ . 1 . 2]" 1
266 1 76 ALA H 1 77 VAL H . . 3.100 2.683 2.643 2.799 . 0 0 "[ . 1 . 2]" 1
267 1 120 VAL H 1 121 LYS H . . 4.010 2.630 2.505 2.742 . 0 0 "[ . 1 . 2]" 1
268 1 86 LYS H 1 87 ALA H . . 3.550 2.885 2.786 2.969 . 0 0 "[ . 1 . 2]" 1
269 1 112 ILE H 1 113 TYR H . . 3.740 2.667 2.476 2.758 . 0 0 "[ . 1 . 2]" 1
270 1 16 ASP HA 1 20 ALA H . . 5.050 4.795 4.619 4.907 . 0 0 "[ . 1 . 2]" 1
271 1 71 LYS HA 1 74 GLU H . . 4.510 3.821 3.612 3.921 . 0 0 "[ . 1 . 2]" 1
272 1 54 LYS HA 1 56 GLU H . . 5.100 4.665 4.555 4.854 . 0 0 "[ . 1 . 2]" 1
273 1 55 PHE HA 1 58 PHE H . . 3.680 3.555 3.420 3.764 0.084 14 0 "[ . 1 . 2]" 1
274 1 51 TYR HB2 1 52 LYS H . . 5.500 2.963 2.862 3.084 . 0 0 "[ . 1 . 2]" 1
275 1 22 PHE HB2 1 23 GLU H . . 3.320 2.951 2.780 3.056 . 0 0 "[ . 1 . 2]" 1
276 1 88 ASP QB 1 89 ALA H . . 3.540 2.801 2.624 2.968 . 0 0 "[ . 1 . 2]" 1
277 1 18 VAL HB 1 19 LYS H . . 3.560 2.768 2.688 2.853 . 0 0 "[ . 1 . 2]" 1
278 1 109 ILE H 1 109 ILE HB . . 3.190 2.748 2.516 2.911 . 0 0 "[ . 1 . 2]" 1
279 1 118 GLN H 1 119 SER H . . 3.520 2.816 2.713 2.873 . 0 0 "[ . 1 . 2]" 1
280 1 24 LEU H 1 25 LEU H . . 3.050 2.794 2.708 2.927 . 0 0 "[ . 1 . 2]" 1
281 1 17 VAL H 1 19 LYS H . . 4.090 4.080 4.026 4.115 0.025 1 0 "[ . 1 . 2]" 1
282 1 38 LYS HB3 1 39 ASP H . . 3.670 2.522 2.275 3.171 . 0 0 "[ . 1 . 2]" 1
283 1 38 LYS HB2 1 39 ASP H . . 3.670 3.446 2.316 3.775 0.105 20 0 "[ . 1 . 2]" 1
284 1 92 SER H 1 93 LYS H . . 3.560 2.706 2.596 2.779 . 0 0 "[ . 1 . 2]" 1
285 1 44 VAL H 1 47 LEU H . . 4.880 5.058 4.990 5.087 0.207 1 0 "[ . 1 . 2]" 1
286 1 44 VAL H 1 45 ASP H . . 2.890 2.863 2.809 2.895 0.005 16 0 "[ . 1 . 2]" 1
287 1 51 TYR HB3 1 52 LYS H . . 5.500 4.044 3.862 4.192 . 0 0 "[ . 1 . 2]" 1
288 1 38 LYS HA 1 41 ASP H . . 3.740 3.665 3.552 3.770 0.030 6 0 "[ . 1 . 2]" 1
289 1 29 GLU H 1 30 THR H . . 3.520 2.873 2.737 2.996 . 0 0 "[ . 1 . 2]" 1
290 1 93 LYS QB 1 94 ILE H . . 5.980 3.529 3.456 3.627 . 0 0 "[ . 1 . 2]" 1
291 1 45 ASP HB2 1 46 THR H . . 4.290 4.255 4.167 4.315 0.025 12 0 "[ . 1 . 2]" 1
292 1 52 LYS H 1 53 ALA H . . 3.510 2.856 2.771 2.978 . 0 0 "[ . 1 . 2]" 1
293 1 88 ASP H 1 90 GLU H . . 5.020 4.359 4.172 4.525 . 0 0 "[ . 1 . 2]" 1
294 1 73 HIS HA 1 76 ALA H . . 3.760 3.593 3.519 3.659 . 0 0 "[ . 1 . 2]" 1
295 1 131 ALA H 1 132 VAL H . . 3.830 3.640 3.050 3.961 0.131 13 0 "[ . 1 . 2]" 1
296 1 63 LYS HA 1 66 GLU H . . 3.780 3.788 3.742 3.825 0.045 7 0 "[ . 1 . 2]" 1
297 1 57 THR H 1 58 PHE H . . 3.430 2.758 2.645 2.917 . 0 0 "[ . 1 . 2]" 1
298 1 51 TYR H 1 51 TYR QE . . 4.940 4.125 3.944 4.376 . 0 0 "[ . 1 . 2]" 1
299 1 33 ASP H 1 34 PRO HD3 . . 4.730 3.651 3.565 3.874 . 0 0 "[ . 1 . 2]" 1
300 1 118 GLN HA 1 118 GLN HE21 . . 5.500 3.357 2.513 4.055 . 0 0 "[ . 1 . 2]" 1
301 1 66 GLU H 1 66 GLU QG . . 3.790 3.813 2.245 3.917 0.127 8 0 "[ . 1 . 2]" 1
302 1 52 LYS H 1 52 LYS QD . . 3.940 3.705 3.387 3.955 0.015 1 0 "[ . 1 . 2]" 1
303 1 54 LYS H 1 54 LYS HD2 . . 4.000 3.357 2.427 3.997 . 0 0 "[ . 1 . 2]" 1
304 1 23 GLU QG 1 24 LEU H . . 4.950 4.014 3.676 4.269 . 0 0 "[ . 1 . 2]" 1
305 1 26 LYS H 1 26 LYS QG . . 3.290 2.513 2.198 2.885 . 0 0 "[ . 1 . 2]" 1
306 1 114 LYS H 1 114 LYS QG . . 3.370 2.598 2.174 3.106 . 0 0 "[ . 1 . 2]" 1
307 1 75 GLU QG 1 76 ALA H . . 5.500 4.380 4.234 4.498 . 0 0 "[ . 1 . 2]" 1
308 1 61 GLU H 1 61 GLU QG . . 3.950 3.992 3.945 4.011 0.061 12 0 "[ . 1 . 2]" 1
309 1 11 ALA MB 1 12 GLY H . . 3.760 3.367 3.257 3.473 . 0 0 "[ . 1 . 2]" 1
310 1 46 THR H 1 46 THR MG . . 3.770 3.701 2.495 3.871 0.101 8 0 "[ . 1 . 2]" 1
311 1 57 THR H 1 57 THR MG . . 3.230 2.851 2.529 3.399 0.169 17 0 "[ . 1 . 2]" 1
312 1 120 VAL H 1 120 VAL MG2 . . 4.280 3.665 1.871 3.881 . 0 0 "[ . 1 . 2]" 1
313 1 128 ILE MG 1 129 GLY H . . 4.220 4.233 4.099 4.264 0.044 16 0 "[ . 1 . 2]" 1
314 1 112 ILE MD 1 116 LEU H . . 6.520 5.905 4.965 6.591 0.071 7 0 "[ . 1 . 2]" 1
315 1 44 VAL MG1 1 45 ASP H . . 5.500 2.614 2.439 2.988 . 0 0 "[ . 1 . 2]" 1
316 1 24 LEU H 1 24 LEU MD2 . . 4.750 4.312 4.205 4.403 . 0 0 "[ . 1 . 2]" 1
317 1 103 ILE MG 1 104 GLN H . . 3.440 2.421 2.038 2.645 . 0 0 "[ . 1 . 2]" 1
318 1 18 VAL MG1 1 19 LYS H . . 5.500 3.607 3.494 3.726 . 0 0 "[ . 1 . 2]" 1
319 1 67 ALA MB 1 68 GLU H . . 3.360 2.507 2.405 2.602 . 0 0 "[ . 1 . 2]" 1
320 1 70 ALA MB 1 71 LYS H . . 2.700 2.571 2.499 2.635 . 0 0 "[ . 1 . 2]" 1
321 1 132 VAL H 1 132 VAL MG2 . . 4.400 3.148 2.515 3.889 . 0 0 "[ . 1 . 2]" 1
322 1 15 GLN QB 1 16 ASP H . . 4.340 2.634 2.558 2.744 . 0 0 "[ . 1 . 2]" 1
323 1 16 ASP H 1 17 VAL QG . . 4.800 4.434 4.317 4.530 . 0 0 "[ . 1 . 2]" 1
324 1 25 LEU QD 1 28 ASP H . . 6.420 3.996 3.527 4.830 . 0 0 "[ . 1 . 2]" 1
325 1 43 TRP QB 1 45 ASP H . . 5.340 5.179 5.072 5.229 . 0 0 "[ . 1 . 2]" 1
326 1 44 VAL H 1 47 LEU QB . . 5.340 5.326 5.170 5.398 0.058 6 0 "[ . 1 . 2]" 1
327 1 44 VAL H 1 47 LEU QD . . 5.440 4.306 4.241 4.415 . 0 0 "[ . 1 . 2]" 1
328 1 45 ASP H 1 45 ASP QB . . 2.470 2.194 2.177 2.209 . 0 0 "[ . 1 . 2]" 1
329 1 69 LEU H 1 69 LEU QB . . 3.330 2.227 2.154 2.364 . 0 0 "[ . 1 . 2]" 1
330 1 73 HIS QB 1 74 GLU H . . 3.490 2.554 2.483 2.694 . 0 0 "[ . 1 . 2]" 1
331 1 83 GLU QB 1 111 ALA H . . 5.340 5.289 5.109 5.469 0.129 4 0 "[ . 1 . 2]" 1
332 1 83 GLU QG 1 84 ALA H . . 5.340 2.324 1.960 4.334 . 0 0 "[ . 1 . 2]" 1
333 1 109 ILE HA 1 112 ILE MD . . 3.900 2.623 2.526 3.205 . 0 0 "[ . 1 . 2]" 1
334 1 112 ILE HA 1 115 THR MG . . 4.300 3.032 2.035 4.301 0.001 12 0 "[ . 1 . 2]" 1
335 1 50 ASP HA 1 53 ALA MB . . 4.330 3.941 3.651 4.313 . 0 0 "[ . 1 . 2]" 1
336 1 33 ASP HA 1 36 ILE MD . . 3.380 3.277 2.317 3.467 0.087 14 0 "[ . 1 . 2]" 1
337 1 32 THR HB 1 33 ASP H . . 4.230 3.028 2.878 3.363 . 0 0 "[ . 1 . 2]" 1
338 1 8 PRO QG 1 18 VAL HA . . 5.080 4.486 4.279 4.823 . 0 0 "[ . 1 . 2]" 1
339 1 77 VAL HA 1 77 VAL MG1 . . 3.380 2.491 2.420 2.569 . 0 0 "[ . 1 . 2]" 1
340 1 112 ILE HA 1 115 THR HB . . 4.510 4.103 2.573 4.587 0.077 18 0 "[ . 1 . 2]" 1
341 1 112 ILE HA 1 115 THR H . . 4.870 3.450 3.164 3.888 . 0 0 "[ . 1 . 2]" 1
342 1 51 TYR HA 1 54 LYS HB2 . . 4.300 2.790 2.485 4.395 0.095 6 0 "[ . 1 . 2]" 1
343 1 92 SER HB2 1 93 LYS H . . 4.170 3.895 3.806 3.961 . 0 0 "[ . 1 . 2]" 1
344 1 114 LYS H 1 115 THR HA . . 5.160 5.307 5.218 5.350 0.190 11 0 "[ . 1 . 2]" 1
345 1 120 VAL MG1 1 121 LYS HA . . 4.110 3.595 3.189 4.205 0.095 8 0 "[ . 1 . 2]" 1
346 1 85 LYS HA 1 88 ASP QB . . 4.360 2.941 2.651 3.327 . 0 0 "[ . 1 . 2]" 1
347 1 60 LYS HA 1 60 LYS QG . . 3.590 2.608 2.134 3.362 . 0 0 "[ . 1 . 2]" 1
348 1 54 LYS HA 1 58 PHE H . . 5.500 3.798 3.593 4.029 . 0 0 "[ . 1 . 2]" 1
349 1 25 LEU HA 1 25 LEU MD2 . . 3.870 2.383 2.068 3.658 . 0 0 "[ . 1 . 2]" 1
350 1 48 GLY H 1 49 GLY HA2 . . 5.500 5.318 4.656 5.616 0.116 6 0 "[ . 1 . 2]" 1
351 1 48 GLY H 1 49 GLY HA3 . . 5.500 5.149 4.863 5.682 0.182 12 0 "[ . 1 . 2]" 1
352 1 94 ILE MG 1 95 ALA HA . . 5.130 3.281 3.070 3.400 . 0 0 "[ . 1 . 2]" 1
353 1 59 LYS HA 1 63 LYS H . . 5.500 3.834 3.634 4.008 . 0 0 "[ . 1 . 2]" 1
354 1 20 ALA MB 1 21 PHE HA . . 4.140 4.044 3.940 4.096 . 0 0 "[ . 1 . 2]" 1
355 1 21 PHE HA 1 24 LEU HB2 . . 4.100 3.638 3.407 3.863 . 0 0 "[ . 1 . 2]" 1
356 1 87 ALA HA 1 91 LEU H . . 4.940 4.138 4.002 4.272 . 0 0 "[ . 1 . 2]" 1
357 1 31 LYS HA 1 32 THR H . . 3.520 2.440 2.232 2.626 . 0 0 "[ . 1 . 2]" 1
358 1 121 LYS QB 1 122 ASP HA . . 4.580 4.002 3.813 4.189 . 0 0 "[ . 1 . 2]" 1
359 1 13 ALA HA 1 14 PRO HD3 . . 3.480 2.446 2.410 2.507 . 0 0 "[ . 1 . 2]" 1
360 1 44 VAL HA 1 47 LEU HB2 . . 4.330 2.733 2.524 2.832 . 0 0 "[ . 1 . 2]" 1
361 1 37 GLU HA 1 40 LEU HB3 . . 4.220 3.880 3.599 4.195 . 0 0 "[ . 1 . 2]" 1
362 1 37 GLU HA 1 40 LEU HB2 . . 4.220 2.500 2.189 2.771 . 0 0 "[ . 1 . 2]" 1
363 1 21 PHE HA 1 24 LEU HB3 . . 4.100 2.848 2.666 3.167 . 0 0 "[ . 1 . 2]" 1
364 1 55 PHE HB3 1 56 GLU H . . 4.750 2.634 2.376 3.827 . 0 0 "[ . 1 . 2]" 1
365 1 50 ASP HB2 1 52 LYS QG . . 5.500 5.130 4.441 5.465 . 0 0 "[ . 1 . 2]" 1
366 1 50 ASP H 1 50 ASP HB3 . . 4.050 3.133 2.303 4.111 0.061 2 0 "[ . 1 . 2]" 1
367 1 9 PHE HB3 1 40 LEU HB3 . . 4.900 2.523 2.208 3.271 . 0 0 "[ . 1 . 2]" 1
368 1 9 PHE HB2 1 40 LEU HB3 . . 4.900 3.134 2.427 3.658 . 0 0 "[ . 1 . 2]" 1
369 1 21 PHE HB3 1 22 PHE H . . 4.240 2.942 2.695 3.099 . 0 0 "[ . 1 . 2]" 1
370 1 39 ASP HB3 1 40 LEU H . . 4.470 2.890 2.469 3.490 . 0 0 "[ . 1 . 2]" 1
371 1 24 LEU MD2 1 43 TRP HB2 . . 5.500 4.764 4.641 5.056 . 0 0 "[ . 1 . 2]" 1
372 1 24 LEU MD1 1 43 TRP HB3 . . 5.500 4.811 4.404 4.998 . 0 0 "[ . 1 . 2]" 1
373 1 24 LEU MD1 1 43 TRP HB2 . . 5.500 5.528 5.112 5.582 0.082 1 0 "[ . 1 . 2]" 1
374 1 22 PHE H 1 22 PHE HB2 . . 3.910 2.147 2.079 2.280 . 0 0 "[ . 1 . 2]" 1
375 1 113 TYR QB 1 114 LYS H . . 3.510 2.753 2.534 2.904 . 0 0 "[ . 1 . 2]" 1
376 1 109 ILE MG 1 113 TYR QB . . 3.610 2.961 2.876 3.051 . 0 0 "[ . 1 . 2]" 1
377 1 19 LYS HA 1 22 PHE QD . . 3.280 3.333 3.300 3.362 0.082 4 0 "[ . 1 . 2]" 1
378 1 26 LYS HA 1 26 LYS QB . . 2.550 2.329 2.148 2.550 . 0 0 "[ . 1 . 2]" 1
379 1 37 GLU HA 1 37 GLU QG . . 3.720 3.303 2.393 3.568 . 0 0 "[ . 1 . 2]" 1
380 1 41 ASP HA 1 44 VAL HB . . 3.230 2.285 1.935 2.919 . 0 0 "[ . 1 . 2]" 1
381 1 80 MET HA 1 80 MET ME . . 3.620 3.516 2.877 3.717 0.097 11 0 "[ . 1 . 2]" 1
382 1 83 GLU HA 1 83 GLU HB2 . . 2.640 2.449 2.363 2.948 0.308 3 0 "[ . 1 . 2]" 1
383 1 89 ALA HA 1 92 SER H . . 3.960 3.315 3.187 3.538 . 0 0 "[ . 1 . 2]" 1
384 1 86 LYS H 1 86 LYS HA . . 2.920 2.868 2.841 2.894 . 0 0 "[ . 1 . 2]" 1
385 1 86 LYS HA 1 86 LYS QB . . 2.400 2.357 2.283 2.403 0.003 1 0 "[ . 1 . 2]" 1
386 1 124 LEU HA 1 124 LEU QD . . 3.480 3.299 3.242 3.425 . 0 0 "[ . 1 . 2]" 1
387 1 131 ALA MB 1 132 VAL H . . 4.160 3.502 3.148 3.747 . 0 0 "[ . 1 . 2]" 1
388 1 77 VAL HA 1 80 MET ME . . 3.570 3.046 2.423 3.636 0.066 12 0 "[ . 1 . 2]" 1
389 1 101 ASN HB3 1 102 GLY H . . 4.240 3.226 2.037 4.027 . 0 0 "[ . 1 . 2]" 1
390 1 101 ASN HB2 1 102 GLY H . . 4.240 2.989 2.091 4.026 . 0 0 "[ . 1 . 2]" 1
391 1 123 GLU H 1 123 GLU HG3 . . 4.150 4.000 3.220 4.179 0.029 12 0 "[ . 1 . 2]" 1
392 1 83 GLU HA 1 83 GLU HG2 . . 4.120 3.800 2.196 4.187 0.067 12 0 "[ . 1 . 2]" 1
393 1 53 ALA MB 1 56 GLU QG . . 3.800 3.666 3.341 3.825 0.025 9 0 "[ . 1 . 2]" 1
394 1 110 GLN HA 1 110 GLN QG . . 2.720 2.542 2.236 2.768 0.048 5 0 "[ . 1 . 2]" 1
395 1 103 ILE MG 1 104 GLN QG . . 3.980 3.592 2.796 4.165 0.185 15 0 "[ . 1 . 2]" 1
396 1 51 TYR HA 1 54 LYS HB3 . . 4.300 4.167 2.823 4.397 0.097 12 0 "[ . 1 . 2]" 1
397 1 120 VAL H 1 120 VAL HB . . 4.170 2.687 2.461 3.277 . 0 0 "[ . 1 . 2]" 1
398 1 109 ILE QG 1 109 ILE MG . . 2.550 2.282 2.155 2.460 . 0 0 "[ . 1 . 2]" 1
399 1 56 GLU HA 1 56 GLU QG . . 3.880 3.377 3.260 3.544 . 0 0 "[ . 1 . 2]" 1
400 1 67 ALA MB 1 96 GLU HA . . 3.630 3.394 2.756 3.693 0.063 9 0 "[ . 1 . 2]" 1
401 1 132 VAL H 1 133 PRO HA . . 5.500 5.027 4.572 5.593 0.093 17 0 "[ . 1 . 2]" 1
402 1 89 ALA HA 1 92 SER HB2 . . 3.930 3.329 2.995 3.735 . 0 0 "[ . 1 . 2]" 1
403 1 9 PHE HA 1 40 LEU HB3 . . 5.500 5.219 4.951 5.439 . 0 0 "[ . 1 . 2]" 1
404 1 83 GLU H 1 83 GLU HB3 . . 4.050 2.539 2.320 3.536 . 0 0 "[ . 1 . 2]" 1
405 1 125 GLU H 1 125 GLU QB . . 2.580 2.121 2.078 2.148 . 0 0 "[ . 1 . 2]" 1
406 1 43 TRP HH2 1 47 LEU MD2 . . 5.270 2.948 2.308 3.080 . 0 0 "[ . 1 . 2]" 1
407 1 43 TRP HZ2 1 47 LEU MD1 . . 5.070 3.439 3.144 3.645 . 0 0 "[ . 1 . 2]" 1
408 1 43 TRP HH2 1 47 LEU MD1 . . 5.270 2.286 2.230 2.499 . 0 0 "[ . 1 . 2]" 1
409 1 109 ILE H 1 112 ILE MD . . 4.990 4.814 4.366 5.042 0.052 10 0 "[ . 1 . 2]" 1
410 1 24 LEU HG 1 25 LEU HA . . 5.190 4.315 4.101 5.319 0.129 12 0 "[ . 1 . 2]" 1
411 1 105 LYS HA 1 105 LYS HG2 . . 4.010 2.680 2.113 3.891 . 0 0 "[ . 1 . 2]" 1
412 1 40 LEU HA 1 40 LEU MD2 . . 4.010 2.220 2.118 2.380 . 0 0 "[ . 1 . 2]" 1
413 1 17 VAL HA 1 17 VAL MG2 . . 3.390 2.337 2.248 2.397 . 0 0 "[ . 1 . 2]" 1
414 1 112 ILE HA 1 112 ILE MD . . 4.380 3.932 3.723 4.228 . 0 0 "[ . 1 . 2]" 1
415 1 50 ASP HB3 1 52 LYS QG . . 5.500 4.934 4.448 5.208 . 0 0 "[ . 1 . 2]" 1
416 1 123 GLU HG2 1 124 LEU QD . . 4.260 3.998 3.442 4.736 0.476 8 0 "[ . 1 . 2]" 1
417 1 44 VAL HA 1 47 LEU MD1 . . 4.770 2.414 2.324 2.504 . 0 0 "[ . 1 . 2]" 1
418 1 8 PRO QG 1 11 ALA MB . . 4.150 2.328 2.202 2.569 . 0 0 "[ . 1 . 2]" 1
419 1 17 VAL MG2 1 20 ALA MB . . 5.500 3.948 3.846 4.144 . 0 0 "[ . 1 . 2]" 1
420 1 67 ALA MB 1 96 GLU QG . . 3.530 2.506 1.943 3.579 0.049 7 0 "[ . 1 . 2]" 1
421 1 29 GLU H 1 29 GLU HB2 . . 4.000 2.610 2.116 3.600 . 0 0 "[ . 1 . 2]" 1
422 1 56 GLU HA 1 59 LYS HB2 . . 4.330 3.823 3.054 4.264 . 0 0 "[ . 1 . 2]" 1
423 1 103 ILE HB 1 103 ILE MD . . 3.650 3.212 2.582 3.292 . 0 0 "[ . 1 . 2]" 1
424 1 105 LYS HA 1 105 LYS HG3 . . 4.010 3.352 2.659 3.840 . 0 0 "[ . 1 . 2]" 1
425 1 108 LYS HA 1 108 LYS QB . . 2.760 2.471 2.158 2.575 . 0 0 "[ . 1 . 2]" 1
426 1 112 ILE HB 1 112 ILE MD . . 2.790 2.373 2.258 2.479 . 0 0 "[ . 1 . 2]" 1
427 1 112 ILE H 1 112 ILE MD . . 4.920 3.734 3.403 3.830 . 0 0 "[ . 1 . 2]" 1
428 1 90 GLU QG 1 103 ILE MD . . 4.900 2.950 1.939 4.898 . 0 0 "[ . 1 . 2]" 1
429 1 103 ILE MD 1 104 GLN QG . . 5.500 5.380 5.144 5.601 0.101 15 0 "[ . 1 . 2]" 1
430 1 112 ILE HA 1 112 ILE HG12 . . 4.160 3.990 2.691 4.239 0.079 18 0 "[ . 1 . 2]" 1
431 1 51 TYR HA 1 54 LYS H . . 5.080 3.222 3.139 3.408 . 0 0 "[ . 1 . 2]" 1
432 1 65 LYS H 1 66 GLU H . . 2.740 2.794 2.780 2.810 0.070 5 0 "[ . 1 . 2]" 1
433 1 110 GLN H 1 112 ILE H . . 4.630 4.420 4.216 4.557 . 0 0 "[ . 1 . 2]" 1
434 1 60 LYS H 1 61 GLU H . . 2.950 2.918 2.816 2.960 0.010 14 0 "[ . 1 . 2]" 1
435 1 62 MET H 1 63 LYS H . . 2.890 2.851 2.721 2.898 0.008 10 0 "[ . 1 . 2]" 1
436 1 28 ASP H 1 29 GLU H . . 3.750 2.651 2.466 2.818 . 0 0 "[ . 1 . 2]" 1
437 1 27 LYS H 1 28 ASP H . . 2.760 2.539 2.468 2.622 . 0 0 "[ . 1 . 2]" 1
438 1 21 PHE H 1 24 LEU H . . 4.970 4.856 4.807 4.933 . 0 0 "[ . 1 . 2]" 1
439 1 103 ILE H 1 104 GLN H . . 3.900 2.810 2.715 2.906 . 0 0 "[ . 1 . 2]" 1
440 1 19 LYS H 1 21 PHE H . . 5.500 4.331 4.290 4.394 . 0 0 "[ . 1 . 2]" 1
441 1 87 ALA H 1 88 ASP H . . 4.120 2.939 2.850 3.029 . 0 0 "[ . 1 . 2]" 1
442 1 122 ASP H 1 123 GLU H . . 3.620 2.827 2.779 2.872 . 0 0 "[ . 1 . 2]" 1
443 1 25 LEU H 1 26 LYS H . . 3.180 2.916 2.706 3.037 . 0 0 "[ . 1 . 2]" 1
444 1 58 PHE QD 1 59 LYS H . . 4.310 3.963 2.888 4.487 0.177 19 0 "[ . 1 . 2]" 1
445 1 99 SER H 1 100 LEU H . . 4.020 2.579 2.130 2.805 . 0 0 "[ . 1 . 2]" 1
446 1 9 PHE H 1 9 PHE QD . . 4.150 3.848 1.918 4.197 0.047 5 0 "[ . 1 . 2]" 1
447 1 107 GLN HA 1 108 LYS H . . 3.560 3.591 3.575 3.617 0.057 11 0 "[ . 1 . 2]" 1
448 1 14 PRO HA 1 15 GLN H . . 3.180 2.444 2.380 2.475 . 0 0 "[ . 1 . 2]" 1
449 1 86 LYS HA 1 88 ASP H . . 5.130 4.863 4.722 4.980 . 0 0 "[ . 1 . 2]" 1
450 1 97 ASP HA 1 99 SER H . . 4.060 3.445 3.178 4.115 0.055 4 0 "[ . 1 . 2]" 1
451 1 83 GLU HA 1 86 LYS H . . 3.800 3.376 3.146 3.531 . 0 0 "[ . 1 . 2]" 1
452 1 3 THR H 1 3 THR HB . . 4.140 3.566 3.428 3.730 . 0 0 "[ . 1 . 2]" 1
453 1 49 GLY HA2 1 50 ASP H . . 3.500 2.901 2.590 3.578 0.078 12 0 "[ . 1 . 2]" 1
454 1 125 GLU H 1 125 GLU HA . . 2.830 2.783 2.762 2.822 . 0 0 "[ . 1 . 2]" 1
455 1 43 TRP HB3 1 44 VAL H . . 4.420 4.059 3.994 4.122 . 0 0 "[ . 1 . 2]" 1
456 1 55 PHE H 1 55 PHE HB3 . . 3.750 2.544 2.322 3.654 . 0 0 "[ . 1 . 2]" 1
457 1 97 ASP H 1 97 ASP HB3 . . 3.970 3.439 2.386 3.916 . 0 0 "[ . 1 . 2]" 1
458 1 41 ASP H 1 41 ASP HB3 . . 4.060 2.950 2.447 3.543 . 0 0 "[ . 1 . 2]" 1
459 1 97 ASP H 1 97 ASP HB2 . . 3.970 2.886 2.364 3.613 . 0 0 "[ . 1 . 2]" 1
460 1 98 ASP H 1 98 ASP HB2 . . 3.930 2.760 2.091 3.702 . 0 0 "[ . 1 . 2]" 1
461 1 21 PHE HA 1 25 LEU H . . 5.500 3.926 3.669 4.072 . 0 0 "[ . 1 . 2]" 1
462 1 50 ASP H 1 50 ASP HB2 . . 4.050 2.994 2.067 3.649 . 0 0 "[ . 1 . 2]" 1
463 1 23 GLU H 1 23 GLU QG . . 4.020 3.831 2.313 4.014 . 0 0 "[ . 1 . 2]" 1
464 1 90 GLU H 1 90 GLU HB3 . . 4.040 2.992 2.389 3.602 . 0 0 "[ . 1 . 2]" 1
465 1 123 GLU H 1 123 GLU HG2 . . 4.150 2.918 2.820 3.881 . 0 0 "[ . 1 . 2]" 1
466 1 54 LYS HB3 1 55 PHE H . . 4.190 3.125 2.915 3.667 . 0 0 "[ . 1 . 2]" 1
467 1 17 VAL HB 1 18 VAL H . . 3.500 2.706 2.644 2.747 . 0 0 "[ . 1 . 2]" 1
468 1 18 VAL H 1 18 VAL HB . . 3.700 2.644 2.527 2.718 . 0 0 "[ . 1 . 2]" 1
469 1 110 GLN H 1 110 GLN QB . . 3.280 2.338 2.223 2.566 . 0 0 "[ . 1 . 2]" 1
470 1 14 PRO HB2 1 15 GLN H . . 4.070 2.596 2.465 2.698 . 0 0 "[ . 1 . 2]" 1
471 1 118 GLN H 1 118 GLN HB2 . . 3.700 2.277 2.095 2.470 . 0 0 "[ . 1 . 2]" 1
472 1 40 LEU H 1 40 LEU HB3 . . 3.920 3.515 3.466 3.573 . 0 0 "[ . 1 . 2]" 1
473 1 54 LYS HB2 1 55 PHE H . . 4.190 3.148 2.859 4.262 0.072 6 0 "[ . 1 . 2]" 1
474 1 114 LYS QB 1 115 THR H . . 4.260 3.412 2.960 3.827 . 0 0 "[ . 1 . 2]" 1
475 1 65 LYS H 1 65 LYS QB . . 3.190 2.213 2.068 2.448 . 0 0 "[ . 1 . 2]" 1
476 1 85 LYS H 1 85 LYS QB . . 2.810 2.217 2.049 2.357 . 0 0 "[ . 1 . 2]" 1
477 1 109 ILE HB 1 110 GLN H . . 3.600 2.512 2.403 2.605 . 0 0 "[ . 1 . 2]" 1
478 1 124 LEU H 1 124 LEU HB3 . . 3.770 2.465 2.407 2.690 . 0 0 "[ . 1 . 2]" 1
479 1 19 LYS H 1 19 LYS QB . . 3.150 2.205 2.182 2.224 . 0 0 "[ . 1 . 2]" 1
480 1 47 LEU H 1 47 LEU HB3 . . 4.110 3.620 3.544 3.680 . 0 0 "[ . 1 . 2]" 1
481 1 93 LYS H 1 93 LYS QG . . 4.160 2.133 2.052 2.319 . 0 0 "[ . 1 . 2]" 1
482 1 10 LEU H 1 10 LEU HB3 . . 4.100 2.808 2.488 3.294 . 0 0 "[ . 1 . 2]" 1
483 1 24 LEU H 1 24 LEU HB3 . . 3.460 2.667 2.484 2.859 . 0 0 "[ . 1 . 2]" 1
484 1 121 LYS H 1 121 LYS QD . . 4.590 4.377 3.104 4.662 0.072 9 0 "[ . 1 . 2]" 1
485 1 47 LEU HB2 1 48 GLY H . . 4.720 2.518 2.359 2.840 . 0 0 "[ . 1 . 2]" 1
486 1 24 LEU H 1 24 LEU HB2 . . 3.460 2.429 2.349 2.554 . 0 0 "[ . 1 . 2]" 1
487 1 18 VAL H 1 18 VAL MG1 . . 4.630 3.841 3.831 3.851 . 0 0 "[ . 1 . 2]" 1
488 1 132 VAL H 1 132 VAL MG1 . . 4.400 3.340 2.062 4.032 . 0 0 "[ . 1 . 2]" 1
489 1 128 ILE H 1 128 ILE MG . . 4.460 3.211 2.471 3.599 . 0 0 "[ . 1 . 2]" 1
490 1 112 ILE H 1 112 ILE MG . . 4.180 2.451 2.220 3.823 . 0 0 "[ . 1 . 2]" 1
491 1 44 VAL MG2 1 45 ASP H . . 5.500 4.297 4.229 4.382 . 0 0 "[ . 1 . 2]" 1
492 1 25 LEU H 1 25 LEU MD1 . . 4.230 4.009 2.805 4.272 0.042 20 0 "[ . 1 . 2]" 1
493 1 10 LEU H 1 10 LEU MD1 . . 4.170 3.031 1.784 3.992 . 0 0 "[ . 1 . 2]" 1
494 1 47 LEU H 1 47 LEU MD2 . . 4.380 3.865 3.704 3.999 . 0 0 "[ . 1 . 2]" 1
495 1 76 ALA HA 1 78 ALA H . . 4.950 4.244 4.163 4.339 . 0 0 "[ . 1 . 2]" 1
496 1 23 GLU HB2 1 24 LEU H . . 4.440 3.746 2.746 4.005 . 0 0 "[ . 1 . 2]" 1
497 1 66 GLU HA 1 70 ALA H . . 4.140 3.749 3.521 3.920 . 0 0 "[ . 1 . 2]" 1
498 1 15 GLN H 1 17 VAL H . . 4.750 4.403 4.353 4.447 . 0 0 "[ . 1 . 2]" 1
499 1 15 GLN H 1 18 VAL H . . 5.470 4.660 4.616 4.710 . 0 0 "[ . 1 . 2]" 1
500 1 15 GLN H 1 15 GLN HB3 . . 3.670 3.214 2.780 3.638 . 0 0 "[ . 1 . 2]" 1
501 1 49 GLY HA3 1 50 ASP H . . 3.500 2.819 2.306 3.538 0.038 7 0 "[ . 1 . 2]" 1
502 1 42 ALA MB 1 43 TRP H . . 4.100 2.488 2.411 2.692 . 0 0 "[ . 1 . 2]" 1
503 1 86 LYS QB 1 87 ALA H . . 3.000 2.347 2.268 2.481 . 0 0 "[ . 1 . 2]" 1
504 1 99 SER HA 1 100 LEU H . . 3.340 3.369 3.262 3.445 0.105 20 0 "[ . 1 . 2]" 1
505 1 100 LEU H 1 100 LEU MD1 . . 4.100 3.665 2.454 4.204 0.104 7 0 "[ . 1 . 2]" 1
506 1 20 ALA H 1 20 ALA MB . . 2.490 2.203 2.072 2.276 . 0 0 "[ . 1 . 2]" 1
507 1 61 GLU H 1 61 GLU HA . . 2.900 2.839 2.809 2.862 . 0 0 "[ . 1 . 2]" 1
508 1 63 LYS H 1 63 LYS QB . . 3.430 2.331 2.182 2.487 . 0 0 "[ . 1 . 2]" 1
509 1 43 TRP H 1 43 TRP HB2 . . 3.980 3.670 3.637 3.697 . 0 0 "[ . 1 . 2]" 1
510 1 46 THR HA 1 47 LEU H . . 3.310 3.406 3.339 3.450 0.140 2 0 "[ . 1 . 2]" 1
511 1 38 LYS H 1 38 LYS HB2 . . 4.130 2.351 2.227 2.478 . 0 0 "[ . 1 . 2]" 1
512 1 45 ASP H 1 45 ASP HB2 . . 2.930 2.405 2.361 2.447 . 0 0 "[ . 1 . 2]" 1
513 1 22 PHE QD 1 26 LYS H . . 4.290 4.331 4.302 4.372 0.082 5 0 "[ . 1 . 2]" 1
514 1 8 PRO HA 1 10 LEU H . . 4.200 3.848 3.506 4.199 . 0 0 "[ . 1 . 2]" 1
515 1 111 ALA H 1 112 ILE H . . 2.960 2.819 2.672 2.909 . 0 0 "[ . 1 . 2]" 1
516 1 93 LYS QG 1 94 ILE H . . 4.980 2.239 2.092 2.654 . 0 0 "[ . 1 . 2]" 1
517 1 94 ILE H 1 94 ILE HB . . 3.600 2.442 2.373 2.510 . 0 0 "[ . 1 . 2]" 1
518 1 51 TYR H 1 51 TYR HB3 . . 3.870 3.552 3.488 3.653 . 0 0 "[ . 1 . 2]" 1
519 1 25 LEU MD2 1 28 ASP H . . 5.500 4.875 4.418 5.611 0.111 18 0 "[ . 1 . 2]" 1
520 1 113 TYR QD 1 114 LYS H . . 3.740 3.470 3.123 3.778 0.038 8 0 "[ . 1 . 2]" 1
521 1 8 PRO QG 1 9 PHE H . . 5.500 4.766 4.508 4.847 . 0 0 "[ . 1 . 2]" 1
522 1 49 GLY H 1 51 TYR H . . 5.500 3.853 2.684 4.328 . 0 0 "[ . 1 . 2]" 1
523 1 92 SER H 1 95 ALA MB . . 5.500 4.626 4.553 4.834 . 0 0 "[ . 1 . 2]" 1
524 1 17 VAL HA 1 19 LYS H . . 4.290 4.310 4.294 4.329 0.039 20 0 "[ . 1 . 2]" 1
525 1 122 ASP H 1 122 ASP HB2 . . 3.990 2.428 2.208 2.552 . 0 0 "[ . 1 . 2]" 1
526 1 66 GLU H 1 66 GLU QB . . 2.960 2.201 2.150 2.618 . 0 0 "[ . 1 . 2]" 1
527 1 128 ILE H 1 128 ILE HG13 . . 4.270 3.617 2.656 4.407 0.137 19 0 "[ . 1 . 2]" 1
528 1 87 ALA HA 1 90 GLU H . . 4.350 3.802 3.459 3.917 . 0 0 "[ . 1 . 2]" 1
529 1 89 ALA MB 1 90 GLU H . . 3.810 2.488 2.392 2.675 . 0 0 "[ . 1 . 2]" 1
530 1 132 VAL H 1 132 VAL HB . . 2.950 2.778 2.472 3.017 0.067 9 0 "[ . 1 . 2]" 1
531 1 121 LYS H 1 121 LYS QB . . 3.090 2.317 2.056 2.618 . 0 0 "[ . 1 . 2]" 1
532 1 95 ALA H 1 95 ALA MB . . 2.960 2.195 2.162 2.235 . 0 0 "[ . 1 . 2]" 1
533 1 120 VAL MG1 1 121 LYS H . . 3.890 2.465 2.209 3.977 0.087 8 0 "[ . 1 . 2]" 1
534 1 14 PRO HA 1 16 ASP H . . 5.200 4.531 4.454 4.599 . 0 0 "[ . 1 . 2]" 1
535 1 16 ASP H 1 16 ASP HB3 . . 3.830 3.054 2.407 3.579 . 0 0 "[ . 1 . 2]" 1
536 1 62 MET HA 1 64 ALA H . . 3.980 4.153 4.105 4.177 0.197 20 0 "[ . 1 . 2]" 1
537 1 30 THR HA 1 31 LYS H . . 3.460 3.281 3.174 3.499 0.039 9 0 "[ . 1 . 2]" 1
538 1 36 ILE H 1 36 ILE MG . . 4.580 3.827 3.795 3.848 . 0 0 "[ . 1 . 2]" 1
539 1 41 ASP HB3 1 42 ALA H . . 3.890 3.010 2.668 3.651 . 0 0 "[ . 1 . 2]" 1
540 1 41 ASP H 1 42 ALA H . . 2.880 2.836 2.739 2.886 0.006 9 0 "[ . 1 . 2]" 1
541 1 52 LYS QG 1 53 ALA H . . 2.490 2.264 2.163 2.505 0.015 3 0 "[ . 1 . 2]" 1
542 1 53 ALA H 1 53 ALA MB . . 2.780 2.216 2.187 2.244 . 0 0 "[ . 1 . 2]" 1
543 1 60 LYS HA 1 61 GLU H . . 3.560 3.601 3.591 3.613 0.053 2 0 "[ . 1 . 2]" 1
544 1 85 LYS H 1 85 LYS HA . . 2.930 2.858 2.824 2.874 . 0 0 "[ . 1 . 2]" 1
545 1 90 GLU HA 1 93 LYS H . . 3.870 3.645 3.516 3.747 . 0 0 "[ . 1 . 2]" 1
546 1 109 ILE HB 1 113 TYR H . . 5.500 5.559 5.508 5.606 0.106 17 0 "[ . 1 . 2]" 1
547 1 122 ASP HA 1 125 GLU H . . 5.180 3.411 3.276 3.510 . 0 0 "[ . 1 . 2]" 1
548 1 124 LEU HG 1 127 GLY H . . 5.500 5.550 5.317 5.649 0.149 8 0 "[ . 1 . 2]" 1
549 1 127 GLY H 1 128 ILE MG . . 5.150 4.459 3.221 5.245 0.095 10 0 "[ . 1 . 2]" 1
550 1 131 ALA HA 1 132 VAL H . . 2.400 2.208 2.114 2.450 0.050 10 0 "[ . 1 . 2]" 1
551 1 76 ALA H 1 76 ALA MB . . 2.680 2.227 2.129 2.249 . 0 0 "[ . 1 . 2]" 1
552 1 104 GLN HE22 1 104 GLN QG . . 3.410 3.338 3.272 3.414 0.004 10 0 "[ . 1 . 2]" 1
553 1 73 HIS H 1 73 HIS HB2 . . 3.930 2.266 2.143 2.433 . 0 0 "[ . 1 . 2]" 1
554 1 25 LEU H 1 25 LEU HB2 . . 3.910 2.129 2.058 2.209 . 0 0 "[ . 1 . 2]" 1
555 1 73 HIS H 1 74 GLU H . . 3.790 2.918 2.861 2.967 . 0 0 "[ . 1 . 2]" 1
556 1 74 GLU H 1 75 GLU H . . 3.630 2.956 2.893 3.029 . 0 0 "[ . 1 . 2]" 1
557 1 72 ALA H 1 73 HIS H . . 3.480 2.821 2.753 2.896 . 0 0 "[ . 1 . 2]" 1
558 1 62 MET HB3 1 63 LYS H . . 3.660 2.728 2.330 3.813 0.153 13 0 "[ . 1 . 2]" 1
559 1 60 LYS H 1 63 LYS H . . 4.810 4.827 4.748 4.879 0.069 19 0 "[ . 1 . 2]" 1
560 1 130 PRO HA 1 131 ALA H . . 3.550 2.363 2.109 3.501 . 0 0 "[ . 1 . 2]" 1
561 1 103 ILE MG 1 105 LYS H . . 5.500 4.629 4.511 4.750 . 0 0 "[ . 1 . 2]" 1
562 1 62 MET HA 1 65 LYS H . . 3.630 3.511 3.260 3.674 0.044 8 0 "[ . 1 . 2]" 1
563 1 55 PHE QD 1 56 GLU H . . 4.850 3.706 2.995 4.364 . 0 0 "[ . 1 . 2]" 1
564 1 18 VAL H 1 18 VAL MG2 . . 4.630 2.198 2.107 2.271 . 0 0 "[ . 1 . 2]" 1
565 1 54 LYS HA 1 57 THR H . . 4.880 3.620 3.489 3.784 . 0 0 "[ . 1 . 2]" 1
566 1 57 THR HA 1 57 THR MG . . 3.600 2.997 2.114 3.239 . 0 0 "[ . 1 . 2]" 1
567 1 36 ILE HA 1 36 ILE MG . . 3.690 2.425 2.351 2.473 . 0 0 "[ . 1 . 2]" 1
568 1 36 ILE HA 1 39 ASP HB3 . . 4.790 3.840 3.262 4.734 . 0 0 "[ . 1 . 2]" 1
569 1 44 VAL HA 1 47 LEU HB3 . . 4.330 4.261 4.089 4.341 0.011 9 0 "[ . 1 . 2]" 1
570 1 77 VAL HA 1 79 LYS QG . . 4.530 4.170 3.882 4.442 . 0 0 "[ . 1 . 2]" 1
571 1 103 ILE HA 1 103 ILE MG . . 3.290 3.224 3.199 3.279 . 0 0 "[ . 1 . 2]" 1
572 1 112 ILE HA 1 112 ILE HG13 . . 4.160 3.648 2.949 3.755 . 0 0 "[ . 1 . 2]" 1
573 1 94 ILE HA 1 94 ILE MG . . 3.530 3.236 3.216 3.263 . 0 0 "[ . 1 . 2]" 1
574 1 22 PHE HA 1 25 LEU MD1 . . 5.500 5.007 3.801 5.480 . 0 0 "[ . 1 . 2]" 1
575 1 22 PHE HA 1 25 LEU MD2 . . 5.500 4.173 3.636 4.752 . 0 0 "[ . 1 . 2]" 1
576 1 14 PRO HA 1 15 GLN HA . . 4.350 4.336 4.302 4.360 0.010 9 0 "[ . 1 . 2]" 1
577 1 58 PHE HA 1 58 PHE QD . . 3.950 2.686 2.058 3.030 . 0 0 "[ . 1 . 2]" 1
578 1 9 PHE HA 1 9 PHE QD . . 3.810 2.617 2.158 3.098 . 0 0 "[ . 1 . 2]" 1
579 1 3 THR HA 1 4 PRO QD . . 3.100 2.229 2.187 2.278 . 0 0 "[ . 1 . 2]" 1
580 1 8 PRO QD 1 18 VAL QG . . 3.840 3.725 3.593 3.840 0.000 17 0 "[ . 1 . 2]" 1
581 1 9 PHE QB 1 40 LEU HB3 . . 4.220 2.324 2.158 2.546 . 0 0 "[ . 1 . 2]" 1
582 1 10 LEU QB 1 44 VAL HA . . 4.600 4.634 4.557 4.708 0.108 9 0 "[ . 1 . 2]" 1
583 1 10 LEU QB 1 44 VAL HB . . 3.880 3.851 3.273 4.061 0.181 3 0 "[ . 1 . 2]" 1
584 1 10 LEU QD 1 17 VAL MG1 . . 4.140 2.146 1.912 2.357 . 0 0 "[ . 1 . 2]" 1
585 1 10 LEU QD 1 17 VAL MG2 . . 4.140 3.937 3.645 4.150 0.010 12 0 "[ . 1 . 2]" 1
586 1 12 GLY QA 1 13 ALA H . . 3.080 2.899 2.815 2.968 . 0 0 "[ . 1 . 2]" 1
587 1 15 GLN H 1 15 GLN QB . . 3.060 2.299 2.129 2.591 . 0 0 "[ . 1 . 2]" 1
588 1 17 VAL MG1 1 47 LEU QD . . 4.230 2.632 2.236 3.142 . 0 0 "[ . 1 . 2]" 1
589 1 17 VAL MG2 1 47 LEU QD . . 4.230 2.867 2.162 3.607 . 0 0 "[ . 1 . 2]" 1
590 1 18 VAL QG 1 19 LYS H . . 4.410 3.356 3.309 3.424 . 0 0 "[ . 1 . 2]" 1
591 1 19 LYS HA 1 22 PHE QB . . 3.560 2.505 2.360 2.754 . 0 0 "[ . 1 . 2]" 1
592 1 21 PHE QE 1 40 LEU QD . . 4.190 3.434 2.080 3.907 . 0 0 "[ . 1 . 2]" 1
593 1 24 LEU QD 1 40 LEU HA . . 4.480 3.104 2.652 3.820 . 0 0 "[ . 1 . 2]" 1
594 1 25 LEU H 1 25 LEU QB . . 3.270 2.107 2.036 2.187 . 0 0 "[ . 1 . 2]" 1
595 1 25 LEU QB 1 26 LYS H . . 2.870 2.797 2.618 2.948 0.078 2 0 "[ . 1 . 2]" 1
596 1 25 LEU QD 1 26 LYS QG . . 5.430 5.207 4.837 5.555 0.125 11 0 "[ . 1 . 2]" 1
597 1 25 LEU QD 1 40 LEU HG . . 3.480 2.873 2.510 3.732 0.252 10 0 "[ . 1 . 2]" 1
598 1 25 LEU QD 1 40 LEU QD . . 3.020 1.896 1.711 2.016 . 0 0 "[ . 1 . 2]" 1
599 1 27 LYS QB 1 28 ASP H . . 3.790 2.811 2.430 3.637 . 0 0 "[ . 1 . 2]" 1
600 1 29 GLU H 1 29 GLU QB . . 3.200 2.197 2.071 2.418 . 0 0 "[ . 1 . 2]" 1
601 1 31 LYS QB 1 35 GLU H . . 4.360 4.319 4.214 4.421 0.061 10 0 "[ . 1 . 2]" 1
602 1 32 THR HB 1 33 ASP QB . . 4.460 4.199 4.026 4.540 0.080 1 0 "[ . 1 . 2]" 1
603 1 33 ASP QB 1 36 ILE MD . . 5.340 4.745 4.055 5.107 . 0 0 "[ . 1 . 2]" 1
604 1 36 ILE H 1 40 LEU QD . . 5.340 5.395 4.991 5.609 0.269 19 0 "[ . 1 . 2]" 1
605 1 36 ILE HB 1 40 LEU QD . . 4.360 4.414 4.159 4.597 0.237 13 0 "[ . 1 . 2]" 1
606 1 36 ILE QG 1 40 LEU QD . . 4.440 4.048 3.728 4.341 . 0 0 "[ . 1 . 2]" 1
607 1 37 GLU HA 1 40 LEU QD . . 4.320 3.885 3.623 4.169 . 0 0 "[ . 1 . 2]" 1
608 1 38 LYS QB 1 39 ASP H . . 2.800 2.339 2.254 2.534 . 0 0 "[ . 1 . 2]" 1
609 1 39 ASP QB 1 42 ALA MB . . 4.640 4.362 4.175 4.488 . 0 0 "[ . 1 . 2]" 1
610 1 40 LEU QD 1 43 TRP HH2 . . 4.740 5.001 4.919 5.067 0.327 12 0 "[ . 1 . 2]" 1
611 1 43 TRP QB 1 44 VAL HA . . 4.870 4.849 4.749 4.909 0.039 3 0 "[ . 1 . 2]" 1
612 1 46 THR H 1 47 LEU QB . . 5.340 4.238 4.028 4.412 . 0 0 "[ . 1 . 2]" 1
613 1 47 LEU H 1 47 LEU QB . . 3.530 2.338 2.232 2.448 . 0 0 "[ . 1 . 2]" 1
614 1 47 LEU HA 1 47 LEU QD . . 3.760 2.087 2.067 2.117 . 0 0 "[ . 1 . 2]" 1
615 1 47 LEU QB 1 51 TYR QD . . 4.940 2.615 2.209 3.789 . 0 0 "[ . 1 . 2]" 1
616 1 48 GLY QA 1 52 LYS H . . 5.340 5.185 4.561 5.503 0.163 12 0 "[ . 1 . 2]" 1
617 1 49 GLY QA 1 50 ASP H . . 3.010 2.485 2.225 2.926 . 0 0 "[ . 1 . 2]" 1
618 1 50 ASP QB 1 52 LYS QG . . 4.590 4.458 4.096 4.647 0.057 12 0 "[ . 1 . 2]" 1
619 1 51 TYR HA 1 54 LYS QB . . 3.570 2.681 2.455 2.867 . 0 0 "[ . 1 . 2]" 1
620 1 51 TYR HA 1 54 LYS QD . . 3.060 2.986 2.016 3.150 0.090 3 0 "[ . 1 . 2]" 1
621 1 51 TYR QB 1 52 LYS H . . 3.950 2.893 2.793 3.009 . 0 0 "[ . 1 . 2]" 1
622 1 52 LYS HA 1 55 PHE QB . . 3.920 2.562 2.361 2.956 . 0 0 "[ . 1 . 2]" 1
623 1 53 ALA HA 1 56 GLU QB . . 3.520 3.256 2.949 3.583 0.063 13 0 "[ . 1 . 2]" 1
624 1 53 ALA MB 1 54 LYS QB . . 4.050 4.045 3.719 4.130 0.080 9 0 "[ . 1 . 2]" 1
625 1 55 PHE HA 1 58 PHE QB . . 3.550 2.537 2.296 2.840 . 0 0 "[ . 1 . 2]" 1
626 1 55 PHE QB 1 56 GLU H . . 4.100 2.540 2.353 2.677 . 0 0 "[ . 1 . 2]" 1
627 1 56 GLU QB 1 58 PHE H . . 5.340 5.302 5.243 5.358 0.018 10 0 "[ . 1 . 2]" 1
628 1 57 THR HA 1 60 LYS QB . . 4.210 3.069 2.613 4.238 0.028 19 0 "[ . 1 . 2]" 1
629 1 58 PHE H 1 61 GLU QB . . 5.340 4.706 4.494 4.931 . 0 0 "[ . 1 . 2]" 1
630 1 58 PHE HA 1 61 GLU QB . . 4.160 2.496 2.240 2.750 . 0 0 "[ . 1 . 2]" 1
631 1 59 LYS H 1 59 LYS QB . . 2.940 2.244 2.096 2.324 . 0 0 "[ . 1 . 2]" 1
632 1 59 LYS HA 1 62 MET QB . . 4.070 2.983 2.470 4.060 . 0 0 "[ . 1 . 2]" 1
633 1 62 MET H 1 62 MET QB . . 3.050 2.256 2.121 2.561 . 0 0 "[ . 1 . 2]" 1
634 1 62 MET QB 1 65 LYS H . . 5.340 5.111 4.906 5.241 . 0 0 "[ . 1 . 2]" 1
635 1 74 GLU HA 1 77 VAL QG . . 4.010 2.971 2.786 3.375 . 0 0 "[ . 1 . 2]" 1
636 1 77 VAL HA 1 80 MET QG . . 4.580 3.756 2.047 4.375 . 0 0 "[ . 1 . 2]" 1
637 1 77 VAL HA 1 85 LYS QE . . 5.140 5.183 4.896 5.261 0.121 14 0 "[ . 1 . 2]" 1
638 1 79 LYS H 1 79 LYS QB . . 3.620 2.766 2.537 2.904 . 0 0 "[ . 1 . 2]" 1
639 1 80 MET H 1 80 MET QB . . 2.670 2.334 2.257 2.526 . 0 0 "[ . 1 . 2]" 1
640 1 80 MET QB 1 81 THR H . . 4.080 2.209 1.850 2.472 . 0 0 "[ . 1 . 2]" 1
641 1 82 PRO QG 1 84 ALA H . . 4.260 4.353 4.311 4.389 0.129 1 0 "[ . 1 . 2]" 1
642 1 83 GLU HA 1 83 GLU QG . . 3.450 3.332 2.138 3.460 0.010 2 0 "[ . 1 . 2]" 1
643 1 92 SER H 1 92 SER QB . . 3.520 2.261 2.236 2.286 . 0 0 "[ . 1 . 2]" 1
644 1 94 ILE H 1 94 ILE QG . . 4.190 4.048 3.951 4.193 0.003 15 0 "[ . 1 . 2]" 1
645 1 97 ASP HA 1 100 LEU QD . . 4.220 4.094 3.339 4.596 0.376 3 0 "[ . 1 . 2]" 1
646 1 97 ASP QB 1 99 SER H . . 4.810 3.709 3.119 4.275 . 0 0 "[ . 1 . 2]" 1
647 1 97 ASP QB 1 100 LEU QD . . 3.600 2.297 1.882 3.581 . 0 0 "[ . 1 . 2]" 1
648 1 99 SER H 1 100 LEU QB . . 5.340 4.405 3.481 4.848 . 0 0 "[ . 1 . 2]" 1
649 1 102 GLY QA 1 105 LYS H . . 4.550 3.820 3.473 4.183 . 0 0 "[ . 1 . 2]" 1
650 1 103 ILE QG 1 103 ILE MG . . 2.800 2.228 2.067 2.293 . 0 0 "[ . 1 . 2]" 1
651 1 103 ILE MG 1 104 GLN QB . . 4.690 3.838 3.107 4.241 . 0 0 "[ . 1 . 2]" 1
652 1 104 GLN QB 1 105 LYS H . . 3.530 2.950 2.643 3.577 0.047 3 0 "[ . 1 . 2]" 1
653 1 111 ALA H 1 112 ILE QG . . 4.160 4.212 4.179 4.282 0.122 17 0 "[ . 1 . 2]" 1
654 1 112 ILE HA 1 112 ILE QG . . 3.520 3.365 2.494 3.476 . 0 0 "[ . 1 . 2]" 1
655 1 112 ILE QG 1 112 ILE MG . . 3.130 2.211 2.071 2.434 . 0 0 "[ . 1 . 2]" 1
656 1 116 LEU QD 1 117 PRO HD2 . . 4.750 2.723 2.142 3.698 . 0 0 "[ . 1 . 2]" 1
657 1 118 GLN HA 1 118 GLN QE . . 4.280 3.175 2.458 3.613 . 0 0 "[ . 1 . 2]" 1
658 1 120 VAL HA 1 123 GLU QG . . 3.450 2.120 2.068 2.351 . 0 0 "[ . 1 . 2]" 1
659 1 123 GLU QG 1 124 LEU H . . 3.830 2.394 2.317 2.493 . 0 0 "[ . 1 . 2]" 1
660 1 132 VAL H 1 132 VAL QG . . 3.720 2.523 2.054 2.954 . 0 0 "[ . 1 . 2]" 1
661 1 132 VAL HA 1 133 PRO QD . . 2.980 2.098 2.055 2.171 . 0 0 "[ . 1 . 2]" 1
662 1 46 THR HB 1 47 LEU HA . . 4.440 4.298 4.088 4.577 0.137 10 0 "[ . 1 . 2]" 1
663 1 57 THR HA 1 60 LYS H . . 4.560 3.744 3.523 3.998 . 0 0 "[ . 1 . 2]" 1
664 1 44 VAL HA 1 47 LEU HG . . 3.840 2.617 2.370 2.726 . 0 0 "[ . 1 . 2]" 1
665 1 120 VAL HA 1 120 VAL MG1 . . 3.250 3.139 2.148 3.265 0.015 2 0 "[ . 1 . 2]" 1
666 1 77 VAL HA 1 80 MET HB3 . . 4.210 2.930 2.100 3.932 . 0 0 "[ . 1 . 2]" 1
667 1 92 SER HB3 1 93 LYS H . . 4.170 2.686 2.556 2.807 . 0 0 "[ . 1 . 2]" 1
668 1 22 PHE HA 1 22 PHE QD . . 3.870 2.342 2.262 2.386 . 0 0 "[ . 1 . 2]" 1
669 1 81 THR HA 1 84 ALA H . . 4.940 4.781 4.659 4.863 . 0 0 "[ . 1 . 2]" 1
670 1 58 PHE HA 1 61 GLU HB3 . . 4.730 2.532 2.265 2.795 . 0 0 "[ . 1 . 2]" 1
671 1 121 LYS HA 1 121 LYS QG . . 3.150 2.268 2.057 2.512 . 0 0 "[ . 1 . 2]" 1
672 1 120 VAL MG2 1 121 LYS HA . . 4.110 4.111 3.911 4.460 0.350 12 0 "[ . 1 . 2]" 1
673 1 60 LYS HA 1 63 LYS H . . 4.910 3.760 3.540 3.956 . 0 0 "[ . 1 . 2]" 1
674 1 132 VAL HA 1 133 PRO HD3 . . 3.590 2.690 2.460 3.053 . 0 0 "[ . 1 . 2]" 1
675 1 24 LEU HA 1 24 LEU HG . . 4.070 2.845 2.628 3.741 . 0 0 "[ . 1 . 2]" 1
676 1 52 LYS HA 1 55 PHE HB2 . . 4.510 3.362 2.879 3.711 . 0 0 "[ . 1 . 2]" 1
677 1 52 LYS HA 1 52 LYS QG . . 3.540 3.421 3.367 3.505 . 0 0 "[ . 1 . 2]" 1
678 1 44 VAL MG2 1 52 LYS HA . . 5.500 5.569 5.490 5.671 0.171 15 0 "[ . 1 . 2]" 1
679 1 10 LEU HA 1 51 TYR QE . . 4.860 4.208 2.491 4.890 0.030 11 0 "[ . 1 . 2]" 1
680 1 20 ALA HA 1 23 GLU H . . 3.810 3.679 3.601 3.746 . 0 0 "[ . 1 . 2]" 1
681 1 19 LYS H 1 20 ALA HA . . 5.430 5.460 5.440 5.483 0.053 16 0 "[ . 1 . 2]" 1
682 1 21 PHE HA 1 21 PHE QE . . 5.400 5.039 4.834 5.162 . 0 0 "[ . 1 . 2]" 1
683 1 21 PHE HA 1 21 PHE QD . . 3.580 2.985 2.822 3.114 . 0 0 "[ . 1 . 2]" 1
684 1 10 LEU HA 1 10 LEU MD1 . . 4.540 3.809 3.487 4.079 . 0 0 "[ . 1 . 2]" 1
685 1 42 ALA H 1 42 ALA HA . . 2.870 2.800 2.781 2.827 . 0 0 "[ . 1 . 2]" 1
686 1 3 THR MG 1 4 PRO HD3 . . 4.270 3.419 3.252 3.579 . 0 0 "[ . 1 . 2]" 1
687 1 49 GLY HA3 1 51 TYR H . . 4.980 3.867 3.153 5.117 0.137 4 0 "[ . 1 . 2]" 1
688 1 24 LEU HB3 1 25 LEU H . . 4.550 2.528 2.334 2.675 . 0 0 "[ . 1 . 2]" 1
689 1 36 ILE H 1 36 ILE HB . . 3.820 2.510 2.418 2.589 . 0 0 "[ . 1 . 2]" 1
690 1 93 LYS H 1 94 ILE HB . . 4.940 4.951 4.895 4.983 0.043 2 0 "[ . 1 . 2]" 1
691 1 106 ALA HA 1 109 ILE HB . . 3.560 2.629 2.300 3.108 . 0 0 "[ . 1 . 2]" 1
692 1 9 PHE HB2 1 40 LEU HB2 . . 4.900 3.163 2.841 3.308 . 0 0 "[ . 1 . 2]" 1
693 1 21 PHE HB2 1 22 PHE H . . 4.240 4.100 4.016 4.160 . 0 0 "[ . 1 . 2]" 1
694 1 28 ASP H 1 28 ASP HB3 . . 4.050 3.559 2.977 3.736 . 0 0 "[ . 1 . 2]" 1
695 1 24 LEU MD2 1 43 TRP HB3 . . 5.500 4.011 3.781 4.150 . 0 0 "[ . 1 . 2]" 1
696 1 43 TRP H 1 43 TRP HB3 . . 3.980 2.535 2.479 2.571 . 0 0 "[ . 1 . 2]" 1
697 1 113 TYR H 1 113 TYR QB . . 3.610 2.210 2.188 2.240 . 0 0 "[ . 1 . 2]" 1
698 1 122 ASP HB3 1 123 GLU H . . 4.180 2.933 2.617 3.602 . 0 0 "[ . 1 . 2]" 1
699 1 16 ASP HA 1 17 VAL HA . . 4.750 4.772 4.751 4.798 0.048 17 0 "[ . 1 . 2]" 1
700 1 26 LYS HA 1 29 GLU QG . . 3.620 3.475 3.190 3.674 0.054 2 0 "[ . 1 . 2]" 1
701 1 9 PHE H 1 37 GLU HA . . 5.500 5.452 4.506 5.667 0.167 3 0 "[ . 1 . 2]" 1
702 1 41 ASP HA 1 43 TRP HD1 . . 5.270 5.397 5.334 5.449 0.179 9 0 "[ . 1 . 2]" 1
703 1 66 GLU HA 1 66 GLU QB . . 2.800 2.324 2.127 2.458 . 0 0 "[ . 1 . 2]" 1
704 1 62 MET HA 1 65 LYS QB . . 3.510 2.908 2.677 3.275 . 0 0 "[ . 1 . 2]" 1
705 1 84 ALA HA 1 87 ALA MB . . 3.260 2.735 2.352 3.045 . 0 0 "[ . 1 . 2]" 1
706 1 87 ALA HA 1 90 GLU HB2 . . 4.210 3.379 2.613 4.199 . 0 0 "[ . 1 . 2]" 1
707 1 111 ALA HA 1 114 LYS QB . . 4.030 3.549 2.790 4.119 0.089 4 0 "[ . 1 . 2]" 1
708 1 61 GLU HA 1 64 ALA H . . 3.860 3.595 3.443 3.843 . 0 0 "[ . 1 . 2]" 1
709 1 110 GLN HA 1 110 GLN QB . . 2.550 2.423 2.355 2.470 . 0 0 "[ . 1 . 2]" 1
710 1 90 GLU HA 1 93 LYS QG . . 2.510 2.127 2.060 2.184 . 0 0 "[ . 1 . 2]" 1
711 1 65 LYS HA 1 69 LEU QD . . 5.500 4.444 3.082 5.447 . 0 0 "[ . 1 . 2]" 1
712 1 90 GLU HA 1 103 ILE MG . . 4.700 3.713 2.826 4.701 0.001 4 0 "[ . 1 . 2]" 1
713 1 63 LYS HA 1 63 LYS QB . . 2.450 2.411 2.319 2.465 0.015 7 0 "[ . 1 . 2]" 1
714 1 106 ALA MB 1 108 LYS H . . 4.750 4.780 4.758 4.840 0.090 15 0 "[ . 1 . 2]" 1
715 1 111 ALA H 1 111 ALA MB . . 2.410 2.191 2.060 2.245 . 0 0 "[ . 1 . 2]" 1
716 1 67 ALA HA 1 95 ALA MB . . 3.480 2.159 2.017 2.326 . 0 0 "[ . 1 . 2]" 1
717 1 123 GLU HG3 1 124 LEU HA . . 5.110 3.684 3.624 3.839 . 0 0 "[ . 1 . 2]" 1
718 1 83 GLU HA 1 83 GLU HG3 . . 4.120 3.725 2.938 3.859 . 0 0 "[ . 1 . 2]" 1
719 1 71 LYS H 1 71 LYS QB . . 2.870 2.210 2.108 2.515 . 0 0 "[ . 1 . 2]" 1
720 1 62 MET HB2 1 63 LYS H . . 3.660 3.401 2.493 3.807 0.147 16 0 "[ . 1 . 2]" 1
721 1 71 LYS QB 1 72 ALA H . . 2.640 2.460 2.347 2.645 0.005 8 0 "[ . 1 . 2]" 1
722 1 123 GLU HB3 1 124 LEU H . . 4.450 3.903 3.766 3.962 . 0 0 "[ . 1 . 2]" 1
723 1 15 GLN H 1 15 GLN HB2 . . 3.670 2.360 2.199 2.652 . 0 0 "[ . 1 . 2]" 1
724 1 83 GLU H 1 83 GLU HB2 . . 4.050 3.530 2.214 3.623 . 0 0 "[ . 1 . 2]" 1
725 1 90 GLU HB2 1 91 LEU H . . 4.190 3.425 2.803 4.010 . 0 0 "[ . 1 . 2]" 1
726 1 110 GLN QB 1 112 ILE H . . 4.910 4.879 4.721 4.991 0.081 16 0 "[ . 1 . 2]" 1
727 1 123 GLU H 1 125 GLU QB . . 5.060 4.720 4.615 4.840 . 0 0 "[ . 1 . 2]" 1
728 1 75 GLU HB2 1 76 ALA H . . 3.220 2.997 2.616 3.286 0.066 7 0 "[ . 1 . 2]" 1
729 1 128 ILE H 1 128 ILE HG12 . . 4.270 2.932 2.316 4.227 . 0 0 "[ . 1 . 2]" 1
730 1 25 LEU H 1 25 LEU HG . . 4.180 4.178 3.913 4.393 0.213 12 0 "[ . 1 . 2]" 1
731 1 86 LYS QG 1 87 ALA H . . 5.050 3.930 3.813 4.001 . 0 0 "[ . 1 . 2]" 1
732 1 46 THR H 1 47 LEU HG . . 4.180 4.297 4.249 4.381 0.201 12 0 "[ . 1 . 2]" 1
733 1 66 GLU H 1 69 LEU QD . . 5.280 4.635 3.972 5.178 . 0 0 "[ . 1 . 2]" 1
734 1 25 LEU H 1 25 LEU MD2 . . 4.230 2.981 2.154 4.327 0.097 1 0 "[ . 1 . 2]" 1
735 1 42 ALA H 1 42 ALA MB . . 2.670 2.188 2.053 2.231 . 0 0 "[ . 1 . 2]" 1
736 1 21 PHE QE 1 40 LEU MD1 . . 4.820 3.636 2.518 4.142 . 0 0 "[ . 1 . 2]" 1
737 1 19 LYS HA 1 19 LYS QB . . 2.400 2.323 2.286 2.371 . 0 0 "[ . 1 . 2]" 1
738 1 56 GLU HA 1 59 LYS HB3 . . 4.330 3.415 2.957 4.187 . 0 0 "[ . 1 . 2]" 1
739 1 19 LYS HA 1 19 LYS QD . . 2.930 2.403 2.273 2.610 . 0 0 "[ . 1 . 2]" 1
740 1 94 ILE HA 1 94 ILE HG12 . . 3.750 3.183 2.745 3.774 0.024 2 0 "[ . 1 . 2]" 1
741 1 37 GLU HA 1 37 GLU QB . . 2.610 2.159 2.103 2.331 . 0 0 "[ . 1 . 2]" 1
742 1 94 ILE HA 1 94 ILE HG13 . . 3.750 2.546 2.255 2.965 . 0 0 "[ . 1 . 2]" 1
743 1 116 LEU HA 1 121 LYS QG . . 5.480 5.068 3.900 5.607 0.127 2 0 "[ . 1 . 2]" 1
744 1 40 LEU HA 1 40 LEU MD1 . . 4.010 2.441 2.320 2.570 . 0 0 "[ . 1 . 2]" 1
745 1 111 ALA HA 1 114 LYS QG . . 4.290 3.384 2.113 4.335 0.045 18 0 "[ . 1 . 2]" 1
746 1 86 LYS HA 1 86 LYS QG . . 2.750 2.717 2.388 2.861 0.111 4 0 "[ . 1 . 2]" 1
747 1 120 VAL HA 1 120 VAL MG2 . . 3.250 2.347 2.169 2.928 . 0 0 "[ . 1 . 2]" 1
748 1 17 VAL HA 1 17 VAL MG1 . . 3.390 2.408 2.335 2.480 . 0 0 "[ . 1 . 2]" 1
749 1 77 VAL HA 1 77 VAL MG2 . . 3.380 2.341 2.251 2.379 . 0 0 "[ . 1 . 2]" 1
750 1 67 ALA MB 1 95 ALA HA . . 4.530 4.488 4.376 4.550 0.020 10 0 "[ . 1 . 2]" 1
751 1 56 GLU QG 1 57 THR MG . . 3.930 3.966 3.585 4.064 0.134 8 0 "[ . 1 . 2]" 1
752 1 90 GLU QG 1 103 ILE MG . . 5.070 2.455 1.913 3.892 . 0 0 "[ . 1 . 2]" 1
753 1 36 ILE MG 1 40 LEU HG . . 3.020 2.706 2.290 3.083 0.063 3 0 "[ . 1 . 2]" 1
754 1 36 ILE HB 1 36 ILE MD . . 2.460 2.299 2.172 2.380 . 0 0 "[ . 1 . 2]" 1
755 1 66 GLU QB 1 69 LEU QD . . 4.270 4.292 3.961 4.411 0.141 1 0 "[ . 1 . 2]" 1
756 1 25 LEU MD1 1 40 LEU HG . . 4.740 4.341 2.720 4.797 0.057 20 0 "[ . 1 . 2]" 1
757 1 25 LEU MD2 1 40 LEU HG . . 4.740 3.207 2.527 4.800 0.060 1 0 "[ . 1 . 2]" 1
758 1 17 VAL MG1 1 20 ALA MB . . 5.500 3.260 3.155 3.422 . 0 0 "[ . 1 . 2]" 1
759 1 24 LEU HG 1 25 LEU H . . 4.190 4.076 3.920 4.362 0.172 12 0 "[ . 1 . 2]" 1
760 1 37 GLU QG 1 38 LYS H . . 3.560 2.387 2.055 3.801 0.241 9 0 "[ . 1 . 2]" 1
761 1 60 LYS HA 1 63 LYS QB . . 2.910 2.715 2.514 2.930 0.020 20 0 "[ . 1 . 2]" 1
762 1 105 LYS H 1 105 LYS HG2 . . 4.610 3.455 2.509 4.463 . 0 0 "[ . 1 . 2]" 1
763 1 109 ILE HA 1 109 ILE MG . . 3.650 2.376 2.263 2.494 . 0 0 "[ . 1 . 2]" 1
764 1 70 ALA MB 1 92 SER HA . . 4.230 2.011 1.903 2.067 . 0 0 "[ . 1 . 2]" 1
765 1 74 GLU HA 1 77 VAL HB . . 2.770 2.240 2.162 2.646 . 0 0 "[ . 1 . 2]" 1
766 1 71 LYS HA 1 74 GLU QB . . 3.000 2.754 2.471 2.885 . 0 0 "[ . 1 . 2]" 1
767 1 87 ALA HA 1 90 GLU HB3 . . 4.210 3.541 2.621 4.326 0.116 11 0 "[ . 1 . 2]" 1
768 1 114 LYS H 1 114 LYS QB . . 3.070 2.320 2.142 2.660 . 0 0 "[ . 1 . 2]" 1
769 1 109 ILE MG 1 113 TYR QD . . 4.200 4.138 3.899 4.227 0.027 4 0 "[ . 1 . 2]" 1
770 1 43 TRP H 1 44 VAL H . . 2.540 2.570 2.529 2.600 0.060 11 0 "[ . 1 . 2]" 1
771 1 11 ALA H 1 12 GLY H . . 4.450 4.369 4.208 4.443 . 0 0 "[ . 1 . 2]" 1
772 1 83 GLU H 1 84 ALA H . . 3.690 2.668 2.596 2.728 . 0 0 "[ . 1 . 2]" 1
773 1 56 GLU H 1 58 PHE H . . 5.450 4.316 4.216 4.436 . 0 0 "[ . 1 . 2]" 1
774 1 90 GLU H 1 91 LEU H . . 4.080 2.899 2.799 2.992 . 0 0 "[ . 1 . 2]" 1
775 1 89 ALA H 1 90 GLU H . . 3.510 2.766 2.680 2.851 . 0 0 "[ . 1 . 2]" 1
776 1 59 LYS H 1 60 LYS H . . 4.000 2.963 2.865 3.090 . 0 0 "[ . 1 . 2]" 1
777 1 115 THR H 1 116 LEU H . . 3.660 2.572 2.310 3.140 . 0 0 "[ . 1 . 2]" 1
778 1 97 ASP H 1 98 ASP H . . 4.960 3.784 3.191 4.588 . 0 0 "[ . 1 . 2]" 1
779 1 10 LEU H 1 51 TYR QD . . 5.500 5.437 5.236 5.524 0.024 9 0 "[ . 1 . 2]" 1
780 1 119 SER H 1 120 VAL H . . 4.240 2.888 2.804 2.961 . 0 0 "[ . 1 . 2]" 1
781 1 133 PRO HA 1 134 GLN H . . 3.290 2.815 2.447 3.380 0.090 18 0 "[ . 1 . 2]" 1
782 1 82 PRO HA 1 85 LYS H . . 4.330 3.654 3.418 3.911 . 0 0 "[ . 1 . 2]" 1
783 1 84 ALA HA 1 88 ASP H . . 5.000 3.775 3.545 4.010 . 0 0 "[ . 1 . 2]" 1
784 1 119 SER H 1 119 SER QB . . 3.390 2.403 2.102 2.634 . 0 0 "[ . 1 . 2]" 1
785 1 48 GLY HA3 1 49 GLY H . . 3.550 3.106 2.139 3.562 0.012 2 0 "[ . 1 . 2]" 1
786 1 11 ALA HA 1 13 ALA H . . 4.050 3.668 3.472 3.855 . 0 0 "[ . 1 . 2]" 1
787 1 109 ILE HA 1 112 ILE H . . 5.160 3.836 3.721 3.941 . 0 0 "[ . 1 . 2]" 1
788 1 58 PHE H 1 58 PHE HB2 . . 3.760 2.476 2.105 3.130 . 0 0 "[ . 1 . 2]" 1
789 1 21 PHE H 1 21 PHE HB2 . . 3.520 3.015 2.811 3.172 . 0 0 "[ . 1 . 2]" 1
790 1 21 PHE HA 1 24 LEU H . . 4.550 3.777 3.676 3.971 . 0 0 "[ . 1 . 2]" 1
791 1 41 ASP H 1 41 ASP HB2 . . 4.060 2.358 2.117 2.639 . 0 0 "[ . 1 . 2]" 1
792 1 122 ASP H 1 122 ASP HB3 . . 3.990 2.898 2.498 3.641 . 0 0 "[ . 1 . 2]" 1
793 1 51 TYR H 1 51 TYR HB2 . . 3.870 2.687 2.549 2.850 . 0 0 "[ . 1 . 2]" 1
794 1 28 ASP H 1 28 ASP HB2 . . 4.050 2.663 2.292 3.812 . 0 0 "[ . 1 . 2]" 1
795 1 16 ASP H 1 16 ASP HB2 . . 3.830 2.256 2.055 2.473 . 0 0 "[ . 1 . 2]" 1
796 1 88 ASP H 1 88 ASP QB . . 3.650 2.211 2.096 2.319 . 0 0 "[ . 1 . 2]" 1
797 1 104 GLN H 1 104 GLN QG . . 3.930 2.759 2.056 3.825 . 0 0 "[ . 1 . 2]" 1
798 1 66 GLU QG 1 68 GLU H . . 5.500 5.358 4.862 5.542 0.042 4 0 "[ . 1 . 2]" 1
799 1 29 GLU QG 1 30 THR H . . 4.500 3.770 2.336 4.503 0.003 13 0 "[ . 1 . 2]" 1
800 1 15 GLN H 1 15 GLN QG . . 3.780 3.091 2.274 3.843 0.063 11 0 "[ . 1 . 2]" 1
801 1 15 GLN QG 1 16 ASP H . . 4.160 4.159 4.093 4.202 0.042 5 0 "[ . 1 . 2]" 1
802 1 83 GLU H 1 83 GLU HG2 . . 3.880 2.485 2.019 3.720 . 0 0 "[ . 1 . 2]" 1
803 1 134 GLN H 1 134 GLN QG . . 4.380 3.412 2.257 4.343 . 0 0 "[ . 1 . 2]" 1
804 1 68 GLU QG 1 69 LEU H . . 4.200 3.813 3.484 4.213 0.013 3 0 "[ . 1 . 2]" 1
805 1 96 GLU H 1 96 GLU HB3 . . 3.790 3.446 2.828 3.703 . 0 0 "[ . 1 . 2]" 1
806 1 110 GLN QB 1 111 ALA H . . 3.830 2.632 2.393 2.781 . 0 0 "[ . 1 . 2]" 1
807 1 37 GLU H 1 37 GLU QB . . 3.470 2.258 2.087 2.709 . 0 0 "[ . 1 . 2]" 1
808 1 15 GLN HB2 1 16 ASP H . . 4.170 3.244 2.633 3.791 . 0 0 "[ . 1 . 2]" 1
809 1 83 GLU HB3 1 84 ALA H . . 4.060 3.947 3.465 4.137 0.077 4 0 "[ . 1 . 2]" 1
810 1 40 LEU H 1 40 LEU HB2 . . 3.920 2.250 2.181 2.334 . 0 0 "[ . 1 . 2]" 1
811 1 65 LYS QB 1 66 GLU H . . 3.390 2.532 2.381 2.648 . 0 0 "[ . 1 . 2]" 1
812 1 36 ILE HB 1 37 GLU H . . 3.820 2.498 2.372 2.584 . 0 0 "[ . 1 . 2]" 1
813 1 96 GLU H 1 96 GLU HB2 . . 3.790 2.719 2.251 3.793 0.003 15 0 "[ . 1 . 2]" 1
814 1 83 GLU HB2 1 84 ALA H . . 4.060 3.847 2.843 4.075 0.015 7 0 "[ . 1 . 2]" 1
815 1 52 LYS QB 1 53 ALA H . . 3.520 3.526 3.451 3.552 0.032 20 0 "[ . 1 . 2]" 1
816 1 20 ALA MB 1 21 PHE H . . 3.980 2.528 2.428 2.663 . 0 0 "[ . 1 . 2]" 1
817 1 19 LYS QD 1 23 GLU H . . 3.650 3.314 3.204 3.461 . 0 0 "[ . 1 . 2]" 1
818 1 100 LEU H 1 100 LEU HG . . 4.430 3.569 2.543 4.443 0.013 4 0 "[ . 1 . 2]" 1
819 1 111 ALA MB 1 112 ILE H . . 3.470 2.554 2.408 2.801 . 0 0 "[ . 1 . 2]" 1
820 1 84 ALA H 1 84 ALA MB . . 3.340 2.257 2.230 2.277 . 0 0 "[ . 1 . 2]" 1
821 1 89 ALA H 1 89 ALA MB . . 2.590 2.245 2.216 2.275 . 0 0 "[ . 1 . 2]" 1
822 1 83 GLU H 1 86 LYS QG . . 5.500 4.640 4.299 5.024 . 0 0 "[ . 1 . 2]" 1
823 1 11 ALA H 1 11 ALA MB . . 3.260 2.232 2.203 2.314 . 0 0 "[ . 1 . 2]" 1
824 1 64 ALA MB 1 65 LYS H . . 2.860 2.487 2.440 2.532 . 0 0 "[ . 1 . 2]" 1
825 1 17 VAL MG2 1 18 VAL H . . 4.910 3.998 3.962 4.030 . 0 0 "[ . 1 . 2]" 1
826 1 47 LEU H 1 47 LEU HG . . 3.510 2.832 2.728 3.036 . 0 0 "[ . 1 . 2]" 1
827 1 17 VAL H 1 17 VAL MG1 . . 4.370 3.782 3.748 3.823 . 0 0 "[ . 1 . 2]" 1
828 1 17 VAL MG1 1 18 VAL H . . 4.910 3.381 3.209 3.522 . 0 0 "[ . 1 . 2]" 1
829 1 10 LEU H 1 10 LEU HB2 . . 4.100 3.630 3.572 3.750 . 0 0 "[ . 1 . 2]" 1
830 1 112 ILE MD 1 113 TYR H . . 4.210 3.229 2.500 4.267 0.057 17 0 "[ . 1 . 2]" 1
831 1 124 LEU H 1 124 LEU HG . . 4.850 2.673 2.230 2.750 . 0 0 "[ . 1 . 2]" 1
832 1 10 LEU H 1 10 LEU MD2 . . 4.170 2.075 1.749 3.777 . 0 0 "[ . 1 . 2]" 1
833 1 39 ASP H 1 40 LEU H . . 3.770 2.715 2.603 2.789 . 0 0 "[ . 1 . 2]" 1
834 1 55 PHE H 1 55 PHE QD . . 4.100 4.121 2.762 4.228 0.128 19 0 "[ . 1 . 2]" 1
835 1 55 PHE H 1 55 PHE HB2 . . 3.750 2.565 2.265 2.814 . 0 0 "[ . 1 . 2]" 1
836 1 113 TYR HA 1 116 LEU H . . 5.330 3.746 3.345 4.335 . 0 0 "[ . 1 . 2]" 1
837 1 116 LEU H 1 116 LEU HG . . 4.950 3.112 2.063 4.808 . 0 0 "[ . 1 . 2]" 1
838 1 120 VAL H 1 120 VAL MG1 . . 4.280 2.374 2.042 3.674 . 0 0 "[ . 1 . 2]" 1
839 1 52 LYS HA 1 53 ALA H . . 3.570 3.533 3.510 3.552 . 0 0 "[ . 1 . 2]" 1
840 1 21 PHE H 1 21 PHE HB3 . . 3.520 2.156 2.121 2.270 . 0 0 "[ . 1 . 2]" 1
841 1 20 ALA H 1 21 PHE H . . 2.970 2.935 2.873 2.981 0.011 8 0 "[ . 1 . 2]" 1
842 1 61 GLU H 1 61 GLU HB2 . . 2.820 2.597 2.491 2.741 . 0 0 "[ . 1 . 2]" 1
843 1 109 ILE HB 1 111 ALA H . . 5.210 5.085 4.932 5.187 . 0 0 "[ . 1 . 2]" 1
844 1 44 VAL H 1 44 VAL HB . . 3.620 2.218 2.115 2.313 . 0 0 "[ . 1 . 2]" 1
845 1 40 LEU HA 1 44 VAL H . . 4.770 4.195 4.080 4.265 . 0 0 "[ . 1 . 2]" 1
846 1 67 ALA HA 1 95 ALA H . . 4.930 4.927 4.661 5.006 0.076 17 0 "[ . 1 . 2]" 1
847 1 130 PRO HB2 1 131 ALA H . . 4.380 3.377 2.465 4.174 . 0 0 "[ . 1 . 2]" 1
848 1 13 ALA H 1 13 ALA MB . . 2.700 2.327 2.113 2.498 . 0 0 "[ . 1 . 2]" 1
849 1 17 VAL H 1 17 VAL MG2 . . 4.370 2.533 2.446 2.635 . 0 0 "[ . 1 . 2]" 1
850 1 29 GLU H 1 29 GLU HB3 . . 4.000 2.717 2.321 2.953 . 0 0 "[ . 1 . 2]" 1
851 1 26 LYS QB 1 29 GLU H . . 5.050 5.036 4.905 5.121 0.071 4 0 "[ . 1 . 2]" 1
852 1 16 ASP H 1 18 VAL H . . 4.230 4.171 4.087 4.233 0.003 14 0 "[ . 1 . 2]" 1
853 1 123 GLU H 1 124 LEU QD . . 5.170 4.893 4.610 4.985 . 0 0 "[ . 1 . 2]" 1
854 1 38 LYS H 1 38 LYS HB3 . . 4.130 2.763 2.337 3.586 . 0 0 "[ . 1 . 2]" 1
855 1 32 THR H 1 35 GLU H . . 3.890 3.698 3.133 3.941 0.051 5 0 "[ . 1 . 2]" 1
856 1 48 GLY H 1 51 TYR QD . . 4.840 3.331 2.547 4.732 . 0 0 "[ . 1 . 2]" 1
857 1 35 GLU H 1 37 GLU H . . 5.500 4.229 4.082 4.388 . 0 0 "[ . 1 . 2]" 1
858 1 128 ILE H 1 128 ILE HB . . 3.990 3.787 3.607 3.957 . 0 0 "[ . 1 . 2]" 1
859 1 15 GLN HB3 1 16 ASP H . . 4.170 3.138 2.617 3.786 . 0 0 "[ . 1 . 2]" 1
860 1 19 LYS QB 1 20 ALA H . . 2.820 2.475 2.298 2.592 . 0 0 "[ . 1 . 2]" 1
861 1 18 VAL HA 1 22 PHE H . . 4.300 3.946 3.837 4.024 . 0 0 "[ . 1 . 2]" 1
862 1 20 ALA MB 1 22 PHE H . . 5.500 4.753 4.678 4.825 . 0 0 "[ . 1 . 2]" 1
863 1 22 PHE H 1 23 GLU H . . 3.150 2.926 2.879 2.966 . 0 0 "[ . 1 . 2]" 1
864 1 19 LYS QD 1 24 LEU H . . 5.500 5.621 5.586 5.666 0.166 12 0 "[ . 1 . 2]" 1
865 1 31 LYS H 1 31 LYS QD . . 3.460 2.682 2.207 3.506 0.046 6 0 "[ . 1 . 2]" 1
866 1 45 ASP H 1 46 THR H . . 2.870 2.880 2.856 2.905 0.035 10 0 "[ . 1 . 2]" 1
867 1 57 THR HA 1 61 GLU H . . 4.110 4.061 3.933 4.147 0.037 6 0 "[ . 1 . 2]" 1
868 1 64 ALA H 1 64 ALA MB . . 2.810 2.247 2.193 2.295 . 0 0 "[ . 1 . 2]" 1
869 1 64 ALA H 1 65 LYS H . . 2.660 2.670 2.655 2.693 0.033 4 0 "[ . 1 . 2]" 1
870 1 67 ALA MB 1 69 LEU H . . 4.790 4.717 4.607 4.790 0.000 4 0 "[ . 1 . 2]" 1
871 1 103 ILE H 1 103 ILE HB . . 3.610 2.207 2.104 2.728 . 0 0 "[ . 1 . 2]" 1
872 1 95 ALA MB 1 96 GLU H . . 4.040 2.834 2.542 3.068 . 0 0 "[ . 1 . 2]" 1
873 1 72 ALA H 1 72 ALA MB . . 2.400 2.205 2.056 2.230 . 0 0 "[ . 1 . 2]" 1
874 1 109 ILE MG 1 110 GLN H . . 4.350 3.437 3.250 3.645 . 0 0 "[ . 1 . 2]" 1
875 1 121 LYS HA 1 124 LEU H . . 3.760 3.733 3.568 3.803 0.043 13 0 "[ . 1 . 2]" 1
876 1 124 LEU H 1 124 LEU HB2 . . 3.770 3.654 3.627 3.707 . 0 0 "[ . 1 . 2]" 1
877 1 76 ALA HA 1 77 VAL H . . 3.510 3.523 3.506 3.548 0.038 12 0 "[ . 1 . 2]" 1
878 1 119 SER QB 1 120 VAL H . . 5.250 2.572 2.357 3.247 . 0 0 "[ . 1 . 2]" 1
879 1 105 LYS H 1 105 LYS HB3 . . 3.640 3.284 2.189 3.611 . 0 0 "[ . 1 . 2]" 1
880 1 108 LYS H 1 109 ILE H . . 3.370 2.882 2.765 2.967 . 0 0 "[ . 1 . 2]" 1
881 1 104 GLN H 1 104 GLN HB3 . . 4.080 3.214 2.432 3.668 . 0 0 "[ . 1 . 2]" 1
882 1 83 GLU H 1 83 GLU HG3 . . 3.880 3.102 2.064 3.753 . 0 0 "[ . 1 . 2]" 1
883 1 71 LYS H 1 72 ALA H . . 3.610 2.935 2.873 2.991 . 0 0 "[ . 1 . 2]" 1
884 1 62 MET HA 1 66 GLU H . . 4.660 3.775 3.547 4.005 . 0 0 "[ . 1 . 2]" 1
885 1 42 ALA H 1 44 VAL H . . 5.500 4.124 4.028 4.256 . 0 0 "[ . 1 . 2]" 1
886 1 32 THR HB 1 34 PRO HD3 . . 3.870 3.919 3.819 3.959 0.089 9 0 "[ . 1 . 2]" 1
887 1 82 PRO HA 1 84 ALA MB . . 5.240 4.854 4.698 5.116 . 0 0 "[ . 1 . 2]" 1
888 1 82 PRO HA 1 85 LYS QG . . 5.210 4.450 3.671 4.966 . 0 0 "[ . 1 . 2]" 1
889 1 112 ILE HA 1 112 ILE MG . . 3.450 2.284 2.214 2.373 . 0 0 "[ . 1 . 2]" 1
890 1 51 TYR HA 1 53 ALA MB . . 4.380 4.356 4.263 4.445 0.065 6 0 "[ . 1 . 2]" 1
891 1 115 THR HA 1 115 THR MG . . 3.460 2.903 2.306 3.268 . 0 0 "[ . 1 . 2]" 1
892 1 8 PRO QG 1 9 PHE HA . . 5.500 5.506 5.338 5.563 0.063 5 0 "[ . 1 . 2]" 1
893 1 9 PHE HA 1 37 GLU QB . . 5.410 4.984 4.277 5.567 0.157 5 0 "[ . 1 . 2]" 1
894 1 9 PHE HA 1 40 LEU HG . . 5.090 5.023 4.577 5.264 0.174 9 0 "[ . 1 . 2]" 1
895 1 4 PRO HA 1 33 ASP QB . . 3.930 2.733 2.106 3.992 0.062 17 0 "[ . 1 . 2]" 1
896 1 8 PRO QG 1 18 VAL QG . . 3.870 3.062 2.824 3.175 . 0 0 "[ . 1 . 2]" 1
897 1 9 PHE H 1 9 PHE QB . . 3.360 2.188 2.109 2.379 . 0 0 "[ . 1 . 2]" 1
898 1 10 LEU QD 1 18 VAL QG . . 5.280 4.071 3.525 4.395 . 0 0 "[ . 1 . 2]" 1
899 1 14 PRO QB 1 16 ASP H . . 3.770 2.828 2.726 2.896 . 0 0 "[ . 1 . 2]" 1
900 1 15 GLN QB 1 16 ASP HA . . 4.110 4.087 3.996 4.142 0.032 11 0 "[ . 1 . 2]" 1
901 1 16 ASP QB 1 17 VAL H . . 3.400 2.681 2.571 2.790 . 0 0 "[ . 1 . 2]" 1
902 1 20 ALA H 1 21 PHE QB . . 5.340 4.519 4.461 4.639 . 0 0 "[ . 1 . 2]" 1
903 1 21 PHE QB 1 24 LEU QD . . 4.550 4.510 4.331 4.794 0.244 12 0 "[ . 1 . 2]" 1
904 1 21 PHE QE 1 25 LEU QD . . 4.950 2.257 1.890 2.619 . 0 0 "[ . 1 . 2]" 1
905 1 22 PHE H 1 22 PHE QB . . 3.280 2.127 2.060 2.255 . 0 0 "[ . 1 . 2]" 1
906 1 23 GLU H 1 23 GLU QB . . 3.520 2.259 2.193 2.562 . 0 0 "[ . 1 . 2]" 1
907 1 23 GLU HA 1 23 GLU QB . . 2.440 2.402 2.347 2.449 0.009 10 0 "[ . 1 . 2]" 1
908 1 24 LEU H 1 24 LEU QB . . 3.140 2.250 2.219 2.288 . 0 0 "[ . 1 . 2]" 1
909 1 24 LEU HA 1 24 LEU QD . . 3.740 2.195 2.103 2.612 . 0 0 "[ . 1 . 2]" 1
910 1 24 LEU QD 1 25 LEU H . . 4.260 3.862 2.788 4.036 . 0 0 "[ . 1 . 2]" 1
911 1 24 LEU QD 1 43 TRP HB2 . . 4.480 4.495 4.418 4.586 0.106 6 0 "[ . 1 . 2]" 1
912 1 24 LEU QD 1 43 TRP HB3 . . 4.480 3.818 3.632 3.929 . 0 0 "[ . 1 . 2]" 1
913 1 25 LEU HA 1 28 ASP QB . . 4.390 3.017 2.191 4.566 0.176 3 0 "[ . 1 . 2]" 1
914 1 25 LEU QD 1 40 LEU H . . 5.110 4.882 4.368 5.045 . 0 0 "[ . 1 . 2]" 1
915 1 25 LEU QD 1 40 LEU MD1 . . 3.320 2.662 2.035 2.990 . 0 0 "[ . 1 . 2]" 1
916 1 25 LEU QD 1 40 LEU MD2 . . 3.320 1.946 1.822 2.066 . 0 0 "[ . 1 . 2]" 1
917 1 26 LYS HA 1 29 GLU QB . . 3.120 2.552 2.250 3.124 0.004 10 0 "[ . 1 . 2]" 1
918 1 27 LYS H 1 27 LYS QB . . 3.070 2.213 2.029 2.736 . 0 0 "[ . 1 . 2]" 1
919 1 28 ASP H 1 28 ASP QB . . 3.340 2.516 2.265 3.098 . 0 0 "[ . 1 . 2]" 1
920 1 33 ASP H 1 33 ASP QB . . 3.380 2.172 1.942 2.890 . 0 0 "[ . 1 . 2]" 1
921 1 33 ASP QB 1 34 PRO QG . . 4.170 3.979 3.850 4.087 . 0 0 "[ . 1 . 2]" 1
922 1 33 ASP QB 1 34 PRO HD2 . . 3.480 2.622 2.439 2.829 . 0 0 "[ . 1 . 2]" 1
923 1 33 ASP QB 1 34 PRO HD3 . . 3.480 2.217 2.079 2.343 . 0 0 "[ . 1 . 2]" 1
924 1 34 PRO QB 1 35 GLU H . . 4.030 3.307 3.060 3.420 . 0 0 "[ . 1 . 2]" 1
925 1 36 ILE HA 1 39 ASP QB . . 4.110 3.198 2.757 3.496 . 0 0 "[ . 1 . 2]" 1
926 1 38 LYS H 1 38 LYS QB . . 3.380 2.191 2.127 2.324 . 0 0 "[ . 1 . 2]" 1
927 1 38 LYS HA 1 38 LYS QB . . 2.430 2.407 2.301 2.475 0.045 3 0 "[ . 1 . 2]" 1
928 1 38 LYS HA 1 41 ASP QB . . 3.420 2.760 2.491 3.149 . 0 0 "[ . 1 . 2]" 1
929 1 39 ASP QB 1 40 LEU H . . 3.820 2.704 2.431 2.844 . 0 0 "[ . 1 . 2]" 1
930 1 43 TRP HH2 1 47 LEU QB . . 5.340 4.950 4.885 4.983 . 0 0 "[ . 1 . 2]" 1
931 1 45 ASP QB 1 46 THR H . . 3.930 3.155 2.994 3.253 . 0 0 "[ . 1 . 2]" 1
932 1 47 LEU QB 1 48 GLY H . . 3.950 2.400 2.270 2.616 . 0 0 "[ . 1 . 2]" 1
933 1 50 ASP QB 1 52 LYS QD . . 5.340 5.152 4.735 5.429 0.089 4 0 "[ . 1 . 2]" 1
934 1 50 ASP QB 1 53 ALA MB . . 5.340 4.169 3.536 5.084 . 0 0 "[ . 1 . 2]" 1
935 1 53 ALA H 1 54 LYS QB . . 4.560 4.330 4.168 4.436 . 0 0 "[ . 1 . 2]" 1
936 1 54 LYS H 1 54 LYS QD . . 3.650 3.087 2.346 3.502 . 0 0 "[ . 1 . 2]" 1
937 1 54 LYS QB 1 55 PHE H . . 4.050 2.784 2.650 3.465 . 0 0 "[ . 1 . 2]" 1
938 1 59 LYS QE 1 59 LYS QG . . 3.270 2.457 2.257 2.666 . 0 0 "[ . 1 . 2]" 1
939 1 60 LYS H 1 60 LYS QB . . 3.550 2.363 2.206 2.563 . 0 0 "[ . 1 . 2]" 1
940 1 62 MET QB 1 63 LYS H . . 3.110 2.452 2.307 3.193 0.083 13 0 "[ . 1 . 2]" 1
941 1 69 LEU QB 1 70 ALA H . . 3.950 2.467 2.318 2.582 . 0 0 "[ . 1 . 2]" 1
942 1 77 VAL H 1 77 VAL QG . . 4.000 2.441 2.365 2.477 . 0 0 "[ . 1 . 2]" 1
943 1 77 VAL HA 1 80 MET QB . . 3.600 2.187 1.927 2.600 . 0 0 "[ . 1 . 2]" 1
944 1 77 VAL QG 1 85 LYS QE . . 4.730 3.110 2.660 3.564 . 0 0 "[ . 1 . 2]" 1
945 1 80 MET H 1 80 MET QG . . 4.560 3.886 2.502 4.167 . 0 0 "[ . 1 . 2]" 1
946 1 80 MET HA 1 80 MET QG . . 3.690 2.343 2.049 2.925 . 0 0 "[ . 1 . 2]" 1
947 1 80 MET QB 1 80 MET ME . . 3.800 2.371 2.121 3.708 . 0 0 "[ . 1 . 2]" 1
948 1 82 PRO QG 1 83 GLU H . . 3.590 1.925 1.886 1.997 . 0 0 "[ . 1 . 2]" 1
949 1 83 GLU H 1 83 GLU QG . . 3.380 2.198 1.991 2.686 . 0 0 "[ . 1 . 2]" 1
950 1 90 GLU QB 1 103 ILE MG . . 4.880 3.071 2.122 4.407 . 0 0 "[ . 1 . 2]" 1
951 1 92 SER QB 1 93 LYS QB . . 4.020 4.003 3.925 4.046 0.026 5 0 "[ . 1 . 2]" 1
952 1 94 ILE HA 1 94 ILE QG . . 2.900 2.447 2.177 2.858 . 0 0 "[ . 1 . 2]" 1
953 1 96 GLU QB 1 97 ASP H . . 4.410 3.284 2.840 4.074 . 0 0 "[ . 1 . 2]" 1
954 1 97 ASP QB 1 100 LEU H . . 4.510 3.256 2.578 3.912 . 0 0 "[ . 1 . 2]" 1
955 1 99 SER QB 1 100 LEU HA . . 4.760 4.291 4.127 4.440 . 0 0 "[ . 1 . 2]" 1
956 1 100 LEU H 1 100 LEU QD . . 3.570 2.966 2.344 3.546 . 0 0 "[ . 1 . 2]" 1
957 1 102 GLY QA 1 105 LYS QG . . 4.560 4.172 3.478 4.647 0.087 16 0 "[ . 1 . 2]" 1
958 1 104 GLN H 1 104 GLN QB . . 3.410 2.340 2.046 2.584 . 0 0 "[ . 1 . 2]" 1
959 1 105 LYS HA 1 105 LYS QG . . 3.670 2.516 2.089 3.389 . 0 0 "[ . 1 . 2]" 1
960 1 113 TYR QE 1 116 LEU QD . . 4.850 4.013 2.585 5.053 0.203 11 0 "[ . 1 . 2]" 1
961 1 116 LEU H 1 116 LEU QB . . 3.670 2.315 2.158 2.620 . 0 0 "[ . 1 . 2]" 1
962 1 116 LEU H 1 116 LEU QD . . 4.330 3.266 2.169 3.791 . 0 0 "[ . 1 . 2]" 1
963 1 116 LEU QD 1 117 PRO HD3 . . 4.750 3.577 2.855 4.766 0.016 3 0 "[ . 1 . 2]" 1
964 1 116 LEU QD 1 121 LYS HA . . 4.610 4.295 2.914 4.854 0.244 8 0 "[ . 1 . 2]" 1
965 1 117 PRO QB 1 119 SER H . . 3.770 2.429 2.301 3.134 . 0 0 "[ . 1 . 2]" 1
966 1 117 PRO QB 1 120 VAL QG . . 3.640 3.662 3.358 3.828 0.188 1 0 "[ . 1 . 2]" 1
967 1 118 GLN H 1 118 GLN QB . . 3.150 2.230 2.075 2.431 . 0 0 "[ . 1 . 2]" 1
968 1 118 GLN QB 1 119 SER H . . 3.880 3.050 2.845 3.220 . 0 0 "[ . 1 . 2]" 1
969 1 118 GLN QE 1 121 LYS QB . . 3.960 3.387 2.321 3.851 . 0 0 "[ . 1 . 2]" 1
970 1 120 VAL H 1 120 VAL QG . . 3.530 2.181 1.866 2.766 . 0 0 "[ . 1 . 2]" 1
971 1 120 VAL QG 1 123 GLU H . . 5.440 4.442 4.326 4.538 . 0 0 "[ . 1 . 2]" 1
972 1 123 GLU QG 1 124 LEU QD . . 3.450 3.725 3.317 3.818 0.368 5 0 "[ . 1 . 2]" 1
973 1 129 GLY QA 1 130 PRO QD . . 3.000 2.164 2.145 2.206 . 0 0 "[ . 1 . 2]" 1
974 1 132 VAL HB 1 133 PRO QD . . 4.660 4.143 3.778 4.495 . 0 0 "[ . 1 . 2]" 1
975 1 34 PRO HA 1 36 ILE H . . 5.500 4.613 4.413 4.783 . 0 0 "[ . 1 . 2]" 1
976 1 77 VAL HA 1 80 MET HB2 . . 4.210 2.303 2.128 2.638 . 0 0 "[ . 1 . 2]" 1
977 1 51 TYR HA 1 51 TYR QD . . 3.840 2.576 2.395 2.892 . 0 0 "[ . 1 . 2]" 1
978 1 51 TYR HA 1 52 LYS QG . . 4.980 4.815 4.689 4.945 . 0 0 "[ . 1 . 2]" 1
979 1 22 PHE HA 1 25 LEU HB2 . . 4.650 2.584 2.322 3.120 . 0 0 "[ . 1 . 2]" 1
980 1 121 LYS HA 1 121 LYS QD . . 3.700 3.216 2.188 3.766 0.066 9 0 "[ . 1 . 2]" 1
981 1 3 THR HA 1 4 PRO HD2 . . 3.750 2.480 2.393 2.532 . 0 0 "[ . 1 . 2]" 1
982 1 118 GLN HA 1 121 LYS H . . 4.810 3.395 3.295 3.488 . 0 0 "[ . 1 . 2]" 1
983 1 132 VAL HA 1 133 PRO HD2 . . 3.590 2.206 2.158 2.255 . 0 0 "[ . 1 . 2]" 1
984 1 25 LEU HA 1 28 ASP HB3 . . 5.380 4.396 3.003 5.426 0.046 3 0 "[ . 1 . 2]" 1
985 1 39 ASP HA 1 42 ALA MB . . 3.710 2.660 2.477 2.778 . 0 0 "[ . 1 . 2]" 1
986 1 9 PHE HA 1 11 ALA H . . 4.240 3.876 3.596 4.058 . 0 0 "[ . 1 . 2]" 1
987 1 64 ALA H 1 64 ALA HA . . 2.850 2.902 2.895 2.911 0.061 9 0 "[ . 1 . 2]" 1
988 1 79 LYS HA 1 80 MET H . . 3.460 3.248 3.216 3.287 . 0 0 "[ . 1 . 2]" 1
989 1 16 ASP HA 1 19 LYS QB . . 3.420 3.349 3.262 3.428 0.008 6 0 "[ . 1 . 2]" 1
990 1 3 THR HA 1 4 PRO HD3 . . 3.750 2.527 2.478 2.591 . 0 0 "[ . 1 . 2]" 1
991 1 13 ALA HA 1 14 PRO HD2 . . 3.480 2.579 2.519 2.648 . 0 0 "[ . 1 . 2]" 1
992 1 47 LEU HB3 1 48 GLY H . . 4.720 3.036 2.846 3.238 . 0 0 "[ . 1 . 2]" 1
993 1 56 GLU HA 1 59 LYS HE3 . . 4.610 4.249 3.607 4.707 0.097 14 0 "[ . 1 . 2]" 1
994 1 9 PHE HB3 1 40 LEU HB2 . . 4.900 3.226 2.903 3.628 . 0 0 "[ . 1 . 2]" 1
995 1 22 PHE H 1 22 PHE HB3 . . 3.910 3.434 3.349 3.557 . 0 0 "[ . 1 . 2]" 1
996 1 15 GLN HA 1 15 GLN QG . . 2.440 2.344 2.255 2.494 0.054 2 0 "[ . 1 . 2]" 1
997 1 67 ALA MB 1 68 GLU HA . . 3.880 3.897 3.850 3.940 0.060 2 0 "[ . 1 . 2]" 1
998 1 90 GLU HA 1 92 SER H . . 4.810 4.404 4.284 4.518 . 0 0 "[ . 1 . 2]" 1
999 1 90 GLU H 1 90 GLU HA . . 2.910 2.847 2.823 2.890 . 0 0 "[ . 1 . 2]" 1
1000 1 29 GLU HA 1 30 THR H . . 3.550 3.450 3.416 3.505 . 0 0 "[ . 1 . 2]" 1
1001 1 23 GLU HA 1 23 GLU QG . . 2.750 2.319 2.205 2.435 . 0 0 "[ . 1 . 2]" 1
1002 1 55 PHE HA 1 55 PHE QD . . 4.190 2.471 2.160 3.130 . 0 0 "[ . 1 . 2]" 1
1003 1 55 PHE HA 1 58 PHE QD . . 4.080 3.402 2.203 4.254 0.174 6 0 "[ . 1 . 2]" 1
1004 1 83 GLU HA 1 83 GLU HB3 . . 2.640 2.459 2.386 2.557 . 0 0 "[ . 1 . 2]" 1
1005 1 70 ALA HA 1 73 HIS H . . 4.090 3.655 3.586 3.762 . 0 0 "[ . 1 . 2]" 1
1006 1 66 GLU HA 1 69 LEU QD . . 3.820 3.000 2.628 3.151 . 0 0 "[ . 1 . 2]" 1
1007 1 103 ILE MG 1 104 GLN HA . . 4.150 3.270 2.948 3.611 . 0 0 "[ . 1 . 2]" 1
1008 1 70 ALA H 1 92 SER HA . . 4.940 4.911 4.721 5.003 0.063 2 0 "[ . 1 . 2]" 1
1009 1 113 TYR HA 1 115 THR H . . 4.000 3.878 3.587 4.066 0.066 16 0 "[ . 1 . 2]" 1
1010 1 124 LEU HA 1 127 GLY H . . 4.650 3.411 2.743 3.938 . 0 0 "[ . 1 . 2]" 1
1011 1 73 HIS H 1 73 HIS HB3 . . 3.930 3.288 2.883 3.619 . 0 0 "[ . 1 . 2]" 1
1012 1 70 ALA HA 1 73 HIS HB3 . . 4.080 3.487 2.797 4.117 0.037 16 0 "[ . 1 . 2]" 1
1013 1 70 ALA H 1 70 ALA MB . . 2.690 2.215 2.129 2.254 . 0 0 "[ . 1 . 2]" 1
1014 1 76 ALA HA 1 80 MET ME . . 4.520 4.269 3.526 4.577 0.057 7 0 "[ . 1 . 2]" 1
1015 1 13 ALA MB 1 14 PRO HD3 . . 3.850 3.329 3.273 3.422 . 0 0 "[ . 1 . 2]" 1
1016 1 13 ALA MB 1 17 VAL HB . . 3.470 2.161 2.107 2.228 . 0 0 "[ . 1 . 2]" 1
1017 1 52 LYS QB 1 52 LYS QE . . 3.010 2.666 2.173 3.071 0.061 16 0 "[ . 1 . 2]" 1
1018 1 123 GLU HG2 1 124 LEU HA . . 5.110 4.347 4.221 5.276 0.166 8 0 "[ . 1 . 2]" 1
1019 1 109 ILE MG 1 110 GLN QG . . 4.030 3.593 3.266 4.040 0.010 4 0 "[ . 1 . 2]" 1
1020 1 61 GLU HA 1 61 GLU QG . . 2.620 2.487 2.382 2.612 . 0 0 "[ . 1 . 2]" 1
1021 1 15 GLN HA 1 18 VAL HB . . 3.100 2.271 2.073 2.408 . 0 0 "[ . 1 . 2]" 1
1022 1 123 GLU H 1 123 GLU HB2 . . 4.100 3.597 3.523 3.623 . 0 0 "[ . 1 . 2]" 1
1023 1 123 GLU HB2 1 124 LEU H . . 4.450 4.203 4.161 4.244 . 0 0 "[ . 1 . 2]" 1
1024 1 9 PHE HA 1 40 LEU HB2 . . 5.500 5.546 5.361 5.638 0.138 12 0 "[ . 1 . 2]" 1
1025 1 118 GLN H 1 118 GLN HB3 . . 3.700 3.338 2.637 3.620 . 0 0 "[ . 1 . 2]" 1
1026 1 87 ALA MB 1 88 ASP H . . 4.110 2.435 2.360 2.530 . 0 0 "[ . 1 . 2]" 1
1027 1 90 GLU HB3 1 91 LEU H . . 4.190 2.931 2.427 3.541 . 0 0 "[ . 1 . 2]" 1
1028 1 23 GLU HB3 1 24 LEU H . . 4.440 2.800 2.532 3.764 . 0 0 "[ . 1 . 2]" 1
1029 1 24 LEU MD2 1 43 TRP HD1 . . 5.300 2.902 2.520 3.827 . 0 0 "[ . 1 . 2]" 1
1030 1 24 LEU MD1 1 43 TRP HD1 . . 5.300 4.518 3.085 4.909 . 0 0 "[ . 1 . 2]" 1
1031 1 32 THR H 1 32 THR MG . . 3.730 3.782 3.726 3.904 0.174 10 0 "[ . 1 . 2]" 1
1032 1 77 VAL H 1 80 MET ME . . 5.380 4.489 4.022 4.893 . 0 0 "[ . 1 . 2]" 1
1033 1 21 PHE QE 1 40 LEU MD2 . . 4.820 4.274 2.216 4.873 0.053 12 0 "[ . 1 . 2]" 1
1034 1 96 GLU HA 1 96 GLU QG . . 3.440 2.621 2.134 3.444 0.004 14 0 "[ . 1 . 2]" 1
1035 1 25 LEU HA 1 26 LYS QB . . 5.500 5.396 5.152 5.558 0.058 1 0 "[ . 1 . 2]" 1
1036 1 113 TYR HA 1 116 LEU HG . . 4.250 3.248 2.011 4.290 0.040 18 0 "[ . 1 . 2]" 1
1037 1 30 THR HA 1 30 THR MG . . 3.260 2.269 2.187 2.350 . 0 0 "[ . 1 . 2]" 1
1038 1 32 THR HA 1 32 THR MG . . 3.670 2.221 2.138 2.285 . 0 0 "[ . 1 . 2]" 1
1039 1 44 VAL MG1 1 52 LYS HA . . 5.500 3.899 2.980 4.622 . 0 0 "[ . 1 . 2]" 1
1040 1 46 THR HA 1 46 THR MG . . 3.330 2.234 2.156 2.435 . 0 0 "[ . 1 . 2]" 1
1041 1 106 ALA HA 1 109 ILE MG . . 4.420 3.976 3.614 4.365 . 0 0 "[ . 1 . 2]" 1
1042 1 86 LYS QB 1 86 LYS QG . . 2.430 2.045 2.000 2.121 . 0 0 "[ . 1 . 2]" 1
1043 1 44 VAL HA 1 47 LEU MD2 . . 4.770 4.229 4.056 4.295 . 0 0 "[ . 1 . 2]" 1
1044 1 123 GLU HG3 1 124 LEU QD . . 4.260 4.545 3.562 4.684 0.424 11 0 "[ . 1 . 2]" 1
1045 1 116 LEU MD1 1 121 LYS QG . . 5.410 3.529 1.852 4.626 . 0 0 "[ . 1 . 2]" 1
1046 1 52 LYS QE 1 53 ALA MB . . 4.260 4.246 4.115 4.320 0.060 1 0 "[ . 1 . 2]" 1
1047 1 128 ILE HG13 1 128 ILE MG . . 3.440 2.575 2.298 2.705 . 0 0 "[ . 1 . 2]" 1
1048 1 116 LEU MD2 1 121 LYS QG . . 5.410 4.084 1.971 5.329 . 0 0 "[ . 1 . 2]" 1
1049 1 43 TRP HZ2 1 44 VAL HA . . 5.170 5.208 5.176 5.238 0.068 11 0 "[ . 1 . 2]" 1
1050 1 17 VAL HA 1 20 ALA MB . . 3.240 2.634 2.443 2.847 . 0 0 "[ . 1 . 2]" 1
1051 1 81 THR HA 1 81 THR MG . . 3.250 2.214 2.176 2.240 . 0 0 "[ . 1 . 2]" 1
1052 1 37 GLU HA 1 40 LEU H . . 3.770 3.658 3.439 3.834 0.064 10 0 "[ . 1 . 2]" 1
1053 1 79 LYS QG 1 80 MET HA . . 3.770 3.812 3.700 3.894 0.124 3 0 "[ . 1 . 2]" 1
1054 1 42 ALA HA 1 45 ASP HB2 . . 3.960 3.741 3.653 3.816 . 0 0 "[ . 1 . 2]" 1
1055 1 42 ALA HA 1 45 ASP HB3 . . 3.960 3.767 3.510 3.873 . 0 0 "[ . 1 . 2]" 1
1056 1 89 ALA HA 1 92 SER HB3 . . 3.930 2.652 2.423 2.870 . 0 0 "[ . 1 . 2]" 1
1057 1 90 GLU HA 1 103 ILE MD . . 5.370 4.733 3.263 5.461 0.091 3 0 "[ . 1 . 2]" 1
1058 1 116 LEU H 1 116 LEU MD2 . . 5.490 3.943 3.641 4.359 . 0 0 "[ . 1 . 2]" 1
1059 1 128 ILE HG12 1 128 ILE MG . . 3.440 3.018 2.238 3.259 . 0 0 "[ . 1 . 2]" 1
1060 1 72 ALA H 1 72 ALA HA . . 2.940 2.862 2.846 2.876 . 0 0 "[ . 1 . 2]" 1
1061 1 108 LYS H 1 108 LYS QB . . 3.380 2.243 2.051 2.635 . 0 0 "[ . 1 . 2]" 1
1062 1 121 LYS HA 1 124 LEU HG . . 3.750 2.435 2.315 2.613 . 0 0 "[ . 1 . 2]" 1
1063 1 55 PHE H 1 56 GLU H . . 3.860 2.962 2.857 3.053 . 0 0 "[ . 1 . 2]" 1
1064 1 54 LYS H 1 55 PHE H . . 4.040 2.830 2.607 3.037 . 0 0 "[ . 1 . 2]" 1
1065 1 98 ASP H 1 99 SER H . . 3.880 2.670 2.257 2.854 . 0 0 "[ . 1 . 2]" 1
1066 1 26 LYS H 1 27 LYS H . . 4.520 2.926 2.801 3.083 . 0 0 "[ . 1 . 2]" 1
1067 1 21 PHE H 1 23 GLU H . . 4.870 4.551 4.457 4.640 . 0 0 "[ . 1 . 2]" 1
1068 1 123 GLU H 1 124 LEU H . . 3.710 2.773 2.704 2.836 . 0 0 "[ . 1 . 2]" 1
1069 1 121 LYS H 1 122 ASP H . . 3.840 2.917 2.874 2.961 . 0 0 "[ . 1 . 2]" 1
1070 1 22 PHE H 1 22 PHE QD . . 4.060 3.535 3.354 3.685 . 0 0 "[ . 1 . 2]" 1
1071 1 114 LYS H 1 115 THR H . . 4.060 2.641 2.452 2.818 . 0 0 "[ . 1 . 2]" 1
1072 1 18 VAL H 1 19 LYS H . . 3.500 2.893 2.862 2.950 . 0 0 "[ . 1 . 2]" 1
1073 1 16 ASP H 1 17 VAL H . . 3.530 2.810 2.759 2.871 . 0 0 "[ . 1 . 2]" 1
1074 1 50 ASP H 1 51 TYR H . . 3.540 2.610 2.014 2.860 . 0 0 "[ . 1 . 2]" 1
1075 1 79 LYS H 1 80 MET H . . 3.550 2.541 2.269 2.655 . 0 0 "[ . 1 . 2]" 1
1076 1 9 PHE H 1 10 LEU H . . 3.850 2.830 2.722 2.985 . 0 0 "[ . 1 . 2]" 1
1077 1 21 PHE H 1 21 PHE QD . . 4.260 3.919 3.775 4.100 . 0 0 "[ . 1 . 2]" 1
1078 1 117 PRO HA 1 118 GLN H . . 3.430 2.338 2.188 2.425 . 0 0 "[ . 1 . 2]" 1
1079 1 39 ASP HA 1 42 ALA H . . 3.420 3.439 3.326 3.497 0.077 10 0 "[ . 1 . 2]" 1
1080 1 97 ASP HA 1 98 ASP H . . 3.200 2.302 2.114 2.422 . 0 0 "[ . 1 . 2]" 1
1081 1 57 THR H 1 57 THR HB . . 2.930 2.430 2.155 3.098 0.168 16 0 "[ . 1 . 2]" 1
1082 1 28 ASP HA 1 30 THR H . . 4.610 3.453 3.271 3.551 . 0 0 "[ . 1 . 2]" 1
1083 1 115 THR HB 1 116 LEU H . . 5.330 4.200 2.595 4.644 . 0 0 "[ . 1 . 2]" 1
1084 1 8 PRO HA 1 11 ALA H . . 4.830 4.813 4.586 4.903 0.073 9 0 "[ . 1 . 2]" 1
1085 1 71 LYS H 1 71 LYS HA . . 2.790 2.828 2.815 2.851 0.061 17 0 "[ . 1 . 2]" 1
1086 1 50 ASP H 1 51 TYR HA . . 5.300 5.247 4.824 5.418 0.118 12 0 "[ . 1 . 2]" 1
1087 1 55 PHE HA 1 56 GLU H . . 3.560 3.604 3.566 3.631 0.071 11 0 "[ . 1 . 2]" 1
1088 1 63 LYS HA 1 64 ALA H . . 3.520 3.528 3.486 3.547 0.027 18 0 "[ . 1 . 2]" 1
1089 1 11 ALA HA 1 12 GLY H . . 3.030 2.089 2.044 2.125 . 0 0 "[ . 1 . 2]" 1
1090 1 120 VAL HA 1 123 GLU H . . 4.080 3.378 3.259 3.481 . 0 0 "[ . 1 . 2]" 1
1091 1 58 PHE H 1 58 PHE HB3 . . 3.760 3.021 2.110 3.573 . 0 0 "[ . 1 . 2]" 1
1092 1 122 ASP HB2 1 123 GLU H . . 4.180 3.625 2.636 4.025 . 0 0 "[ . 1 . 2]" 1
1093 1 66 GLU QG 1 95 ALA H . . 5.050 4.457 4.174 4.818 . 0 0 "[ . 1 . 2]" 1
1094 1 14 PRO HB3 1 15 GLN H . . 4.070 3.529 3.410 3.605 . 0 0 "[ . 1 . 2]" 1
1095 1 125 GLU H 1 125 GLU QG . . 4.340 3.106 2.951 3.199 . 0 0 "[ . 1 . 2]" 1
1096 1 117 PRO HB3 1 119 SER H . . 4.490 4.153 4.049 4.406 . 0 0 "[ . 1 . 2]" 1
1097 1 35 GLU H 1 35 GLU QB . . 3.540 2.133 2.006 2.418 . 0 0 "[ . 1 . 2]" 1
1098 1 74 GLU H 1 74 GLU QB . . 3.480 2.215 2.172 2.262 . 0 0 "[ . 1 . 2]" 1
1099 1 17 VAL H 1 17 VAL HB . . 3.190 2.420 2.370 2.474 . 0 0 "[ . 1 . 2]" 1
1100 1 54 LYS H 1 54 LYS HB3 . . 4.040 3.349 2.114 3.537 . 0 0 "[ . 1 . 2]" 1
1101 1 120 VAL HB 1 121 LYS H . . 4.040 3.882 2.577 4.075 0.035 9 0 "[ . 1 . 2]" 1
1102 1 123 GLU H 1 123 GLU HB3 . . 4.100 2.327 2.240 2.369 . 0 0 "[ . 1 . 2]" 1
1103 1 124 LEU H 1 125 GLU QB . . 4.180 4.194 4.178 4.212 0.032 12 0 "[ . 1 . 2]" 1
1104 1 90 GLU H 1 90 GLU HB2 . . 4.040 2.409 2.137 2.748 . 0 0 "[ . 1 . 2]" 1
1105 1 23 GLU H 1 23 GLU HB3 . . 4.070 2.740 2.535 3.672 . 0 0 "[ . 1 . 2]" 1
1106 1 18 VAL H 1 19 LYS QB . . 4.880 4.585 4.531 4.629 . 0 0 "[ . 1 . 2]" 1
1107 1 52 LYS QD 1 53 ALA H . . 4.300 3.593 2.532 4.298 . 0 0 "[ . 1 . 2]" 1
1108 1 79 LYS QG 1 80 MET H . . 3.470 3.194 3.043 3.304 . 0 0 "[ . 1 . 2]" 1
1109 1 105 LYS H 1 105 LYS HB2 . . 3.640 2.432 2.137 3.611 . 0 0 "[ . 1 . 2]" 1
1110 1 59 LYS H 1 59 LYS HB3 . . 3.380 2.830 2.590 3.413 0.033 9 0 "[ . 1 . 2]" 1
1111 1 83 GLU H 1 84 ALA MB . . 4.780 4.355 4.276 4.433 . 0 0 "[ . 1 . 2]" 1
1112 1 53 ALA MB 1 54 LYS H . . 3.520 2.516 2.340 2.738 . 0 0 "[ . 1 . 2]" 1
1113 1 25 LEU H 1 25 LEU HB3 . . 3.910 3.366 3.205 3.516 . 0 0 "[ . 1 . 2]" 1
1114 1 87 ALA H 1 87 ALA MB . . 3.410 2.216 2.157 2.237 . 0 0 "[ . 1 . 2]" 1
1115 1 94 ILE H 1 94 ILE HG12 . . 4.790 4.649 4.591 4.760 . 0 0 "[ . 1 . 2]" 1
1116 1 47 LEU H 1 47 LEU HB2 . . 4.110 2.368 2.257 2.485 . 0 0 "[ . 1 . 2]" 1
1117 1 3 THR H 1 3 THR MG . . 4.410 3.018 2.726 3.632 . 0 0 "[ . 1 . 2]" 1
1118 1 24 LEU HB2 1 25 LEU H . . 4.550 3.795 3.631 3.881 . 0 0 "[ . 1 . 2]" 1
1119 1 36 ILE MG 1 37 GLU H . . 4.410 3.317 3.220 3.525 . 0 0 "[ . 1 . 2]" 1
1120 1 109 ILE H 1 109 ILE MG . . 4.390 3.858 3.833 3.871 . 0 0 "[ . 1 . 2]" 1
1121 1 69 LEU H 1 69 LEU QD . . 3.860 3.440 2.362 3.732 . 0 0 "[ . 1 . 2]" 1
1122 1 123 GLU H 1 124 LEU HG . . 5.500 4.955 4.493 5.059 . 0 0 "[ . 1 . 2]" 1
1123 1 112 ILE MG 1 113 TYR H . . 4.500 4.059 3.326 4.150 . 0 0 "[ . 1 . 2]" 1
1124 1 24 LEU MD2 1 25 LEU H . . 4.820 4.175 3.540 4.325 . 0 0 "[ . 1 . 2]" 1
1125 1 98 ASP H 1 98 ASP HB3 . . 3.930 2.852 2.433 3.657 . 0 0 "[ . 1 . 2]" 1
1126 1 116 LEU H 1 116 LEU MD1 . . 5.490 3.571 2.180 4.352 . 0 0 "[ . 1 . 2]" 1
1127 1 69 LEU HA 1 70 ALA H . . 3.550 3.590 3.573 3.603 0.053 17 0 "[ . 1 . 2]" 1
1128 1 36 ILE H 1 36 ILE QG . . 4.270 2.288 2.190 2.534 . 0 0 "[ . 1 . 2]" 1
1129 1 98 ASP HA 1 100 LEU H . . 5.140 3.828 3.448 4.733 . 0 0 "[ . 1 . 2]" 1
1130 1 100 LEU H 1 100 LEU MD2 . . 4.100 3.477 2.358 4.168 0.068 4 0 "[ . 1 . 2]" 1
1131 1 19 LYS H 1 20 ALA H . . 3.030 2.831 2.763 2.875 . 0 0 "[ . 1 . 2]" 1
1132 1 61 GLU H 1 61 GLU HB3 . . 2.820 2.438 2.326 2.511 . 0 0 "[ . 1 . 2]" 1
1133 1 94 ILE HA 1 97 ASP H . . 4.340 3.078 2.911 3.380 . 0 0 "[ . 1 . 2]" 1
1134 1 93 LYS H 1 93 LYS QB . . 2.750 2.580 2.526 2.616 . 0 0 "[ . 1 . 2]" 1
1135 1 32 THR MG 1 33 ASP H . . 4.480 1.938 1.769 2.299 . 0 0 "[ . 1 . 2]" 1
1136 1 23 GLU H 1 23 GLU HB2 . . 4.070 2.428 2.333 2.615 . 0 0 "[ . 1 . 2]" 1
1137 1 43 TRP HZ2 1 44 VAL H . . 5.500 5.503 5.448 5.546 0.046 12 0 "[ . 1 . 2]" 1
1138 1 130 PRO HB3 1 131 ALA H . . 4.380 3.941 3.445 4.382 0.002 13 0 "[ . 1 . 2]" 1
1139 1 27 LYS H 1 29 GLU H . . 4.980 4.138 3.889 4.460 . 0 0 "[ . 1 . 2]" 1
1140 1 45 ASP H 1 45 ASP HB3 . . 2.930 2.534 2.459 2.580 . 0 0 "[ . 1 . 2]" 1
1141 1 26 LYS H 1 26 LYS QB . . 2.610 2.404 2.144 2.617 0.007 8 0 "[ . 1 . 2]" 1
1142 1 25 LEU MD1 1 28 ASP H . . 5.500 4.255 3.632 5.269 . 0 0 "[ . 1 . 2]" 1
1143 1 31 LYS QD 1 32 THR H . . 4.400 4.233 3.556 4.456 0.056 12 0 "[ . 1 . 2]" 1
1144 1 117 PRO HB2 1 119 SER H . . 4.490 2.447 2.314 3.207 . 0 0 "[ . 1 . 2]" 1
1145 1 48 GLY HA2 1 49 GLY H . . 3.550 2.446 2.145 2.923 . 0 0 "[ . 1 . 2]" 1
1146 1 85 LYS H 1 86 LYS QG . . 4.350 4.353 4.172 4.408 0.058 16 0 "[ . 1 . 2]" 1
1147 1 54 LYS H 1 54 LYS HB2 . . 4.040 2.217 2.028 3.425 . 0 0 "[ . 1 . 2]" 1
1148 1 12 GLY H 1 13 ALA MB . . 5.500 3.513 3.381 3.697 . 0 0 "[ . 1 . 2]" 1
1149 1 23 GLU H 1 24 LEU H . . 2.710 2.673 2.595 2.729 0.019 5 0 "[ . 1 . 2]" 1
1150 1 25 LEU HB2 1 26 LYS H . . 3.490 3.248 3.020 3.489 . 0 0 "[ . 1 . 2]" 1
1151 1 36 ILE H 1 36 ILE MD . . 4.840 3.386 2.992 3.579 . 0 0 "[ . 1 . 2]" 1
1152 1 41 ASP H 1 43 TRP HD1 . . 5.500 4.957 4.838 5.023 . 0 0 "[ . 1 . 2]" 1
1153 1 40 LEU H 1 41 ASP H . . 3.560 2.809 2.736 2.890 . 0 0 "[ . 1 . 2]" 1
1154 1 42 ALA H 1 43 TRP H . . 3.040 3.011 2.928 3.097 0.057 9 0 "[ . 1 . 2]" 1
1155 1 53 ALA H 1 55 PHE H . . 4.900 4.116 4.006 4.248 . 0 0 "[ . 1 . 2]" 1
1156 1 40 LEU H 1 40 LEU HG . . 4.110 3.809 3.671 3.922 . 0 0 "[ . 1 . 2]" 1
1157 1 53 ALA MB 1 57 THR H . . 4.700 4.633 4.459 4.717 0.017 4 0 "[ . 1 . 2]" 1
1158 1 59 LYS H 1 59 LYS HB2 . . 3.380 2.379 2.120 2.561 . 0 0 "[ . 1 . 2]" 1
1159 1 27 LYS H 1 27 LYS HA . . 2.880 2.912 2.888 2.942 0.062 4 0 "[ . 1 . 2]" 1
1160 1 56 GLU H 1 56 GLU QG . . 2.960 2.988 2.763 3.074 0.114 11 0 "[ . 1 . 2]" 1
1161 1 109 ILE H 1 109 ILE MD . . 4.120 3.040 2.419 3.686 . 0 0 "[ . 1 . 2]" 1
1162 1 121 LYS H 1 124 LEU QD . . 4.900 3.962 3.818 4.135 . 0 0 "[ . 1 . 2]" 1
1163 1 86 LYS H 1 86 LYS QB . . 2.550 2.546 2.446 2.617 0.067 15 0 "[ . 1 . 2]" 1
1164 1 124 LEU HG 1 125 GLU H . . 2.780 2.678 2.568 2.791 0.011 1 0 "[ . 1 . 2]" 1
1165 1 103 ILE H 1 103 ILE MG . . 4.620 2.767 1.992 3.019 . 0 0 "[ . 1 . 2]" 1
1166 1 70 ALA H 1 71 LYS H . . 3.470 2.902 2.820 3.003 . 0 0 "[ . 1 . 2]" 1
1167 1 108 LYS H 1 108 LYS HA . . 2.900 2.865 2.827 2.905 0.005 15 0 "[ . 1 . 2]" 1
1168 1 104 GLN H 1 104 GLN HB2 . . 4.080 2.647 2.068 3.648 . 0 0 "[ . 1 . 2]" 1
1169 1 91 LEU H 1 92 SER H . . 3.580 2.792 2.722 2.855 . 0 0 "[ . 1 . 2]" 1
1170 1 30 THR H 1 31 LYS H . . 2.940 2.616 2.417 2.798 . 0 0 "[ . 1 . 2]" 1
1171 1 74 GLU QG 1 75 GLU H . . 4.100 3.919 3.289 4.151 0.051 4 0 "[ . 1 . 2]" 1
1172 1 75 GLU HB3 1 76 ALA H . . 3.220 2.840 2.517 3.267 0.047 12 0 "[ . 1 . 2]" 1
1173 1 74 GLU QB 1 75 GLU H . . 4.050 2.548 2.388 2.716 . 0 0 "[ . 1 . 2]" 1
1174 1 75 GLU H 1 76 ALA H . . 3.880 2.948 2.872 3.029 . 0 0 "[ . 1 . 2]" 1
1175 1 105 LYS H 1 105 LYS HG3 . . 4.610 3.376 2.633 4.275 . 0 0 "[ . 1 . 2]" 1
1176 1 118 GLN H 1 121 LYS QB . . 4.930 4.600 4.409 4.967 0.037 2 0 "[ . 1 . 2]" 1
1177 1 49 GLY H 1 52 LYS H . . 5.100 4.199 3.519 5.206 0.106 4 0 "[ . 1 . 2]" 1
1178 1 92 SER H 1 93 LYS QG . . 4.010 4.067 4.027 4.131 0.121 4 0 "[ . 1 . 2]" 1
1179 1 24 LEU MD1 1 25 LEU H . . 4.820 4.684 2.824 4.834 0.014 2 0 "[ . 1 . 2]" 1
1180 1 32 THR H 1 32 THR HB . . 3.810 2.904 2.807 2.975 . 0 0 "[ . 1 . 2]" 1
1181 1 44 VAL H 1 47 LEU HG . . 5.500 4.971 4.678 5.050 . 0 0 "[ . 1 . 2]" 1
1182 1 109 ILE H 1 110 GLN H . . 4.230 3.019 2.953 3.109 . 0 0 "[ . 1 . 2]" 1
1183 1 54 LYS HA 1 57 THR HB . . 3.520 3.639 3.411 3.762 0.242 3 0 "[ . 1 . 2]" 1
1184 1 34 PRO HA 1 62 MET HA . . 5.340 5.119 4.403 5.404 0.064 4 0 "[ . 1 . 2]" 1
1185 1 8 PRO HA 1 11 ALA MB . . 5.010 4.910 4.810 4.982 . 0 0 "[ . 1 . 2]" 1
1186 1 43 TRP HA 1 43 TRP HD1 . . 4.490 4.495 4.464 4.516 0.026 5 0 "[ . 1 . 2]" 1
1187 1 3 THR HB 1 4 PRO QD . . 2.930 2.141 2.055 2.242 . 0 0 "[ . 1 . 2]" 1
1188 1 3 THR MG 1 4 PRO QD . . 3.670 2.381 2.164 2.563 . 0 0 "[ . 1 . 2]" 1
1189 1 9 PHE QB 1 37 GLU HA . . 4.720 3.048 2.390 3.329 . 0 0 "[ . 1 . 2]" 1
1190 1 9 PHE QB 1 37 GLU QB . . 5.340 3.737 3.108 4.233 . 0 0 "[ . 1 . 2]" 1
1191 1 9 PHE QB 1 40 LEU HB2 . . 4.220 2.825 2.688 2.962 . 0 0 "[ . 1 . 2]" 1
1192 1 10 LEU H 1 10 LEU QB . . 3.560 2.707 2.444 3.091 . 0 0 "[ . 1 . 2]" 1
1193 1 10 LEU H 1 10 LEU QD . . 3.560 1.814 1.734 1.997 . 0 0 "[ . 1 . 2]" 1
1194 1 10 LEU HA 1 10 LEU QD . . 3.620 3.335 3.143 3.480 . 0 0 "[ . 1 . 2]" 1
1195 1 10 LEU QB 1 12 GLY H . . 5.340 5.346 5.269 5.433 0.093 9 0 "[ . 1 . 2]" 1
1196 1 10 LEU QD 1 11 ALA H . . 4.590 3.646 2.716 4.187 . 0 0 "[ . 1 . 2]" 1
1197 1 11 ALA MB 1 12 GLY QA . . 5.340 3.954 3.869 3.991 . 0 0 "[ . 1 . 2]" 1
1198 1 14 PRO QB 1 15 GLN H . . 3.190 2.533 2.411 2.626 . 0 0 "[ . 1 . 2]" 1
1199 1 15 GLN HA 1 15 GLN QB . . 2.400 2.420 2.344 2.449 0.049 3 0 "[ . 1 . 2]" 1
1200 1 18 VAL H 1 18 VAL QG . . 3.720 2.185 2.098 2.255 . 0 0 "[ . 1 . 2]" 1
1201 1 18 VAL QG 1 19 LYS HA . . 5.430 3.688 3.610 3.795 . 0 0 "[ . 1 . 2]" 1
1202 1 23 GLU QB 1 24 LEU H . . 3.820 2.655 2.494 2.878 . 0 0 "[ . 1 . 2]" 1
1203 1 24 LEU QB 1 25 LEU H . . 3.870 2.492 2.313 2.630 . 0 0 "[ . 1 . 2]" 1
1204 1 25 LEU HA 1 25 LEU QD . . 3.440 2.031 1.913 2.605 . 0 0 "[ . 1 . 2]" 1
1205 1 34 PRO HA 1 62 MET QB . . 4.060 3.715 2.977 4.083 0.023 15 0 "[ . 1 . 2]" 1
1206 1 34 PRO QB 1 62 MET HA . . 4.040 3.450 2.735 4.146 0.106 13 0 "[ . 1 . 2]" 1
1207 1 40 LEU H 1 41 ASP QB . . 5.340 4.517 4.446 4.627 . 0 0 "[ . 1 . 2]" 1
1208 1 41 ASP H 1 41 ASP QB . . 3.320 2.213 2.094 2.302 . 0 0 "[ . 1 . 2]" 1
1209 1 41 ASP QB 1 42 ALA HA . . 4.500 4.038 3.799 4.189 . 0 0 "[ . 1 . 2]" 1
1210 1 44 VAL HA 1 47 LEU QB . . 3.470 2.703 2.501 2.797 . 0 0 "[ . 1 . 2]" 1
1211 1 48 GLY H 1 49 GLY QA . . 4.690 4.592 4.437 4.684 . 0 0 "[ . 1 . 2]" 1
1212 1 50 ASP H 1 50 ASP QB . . 3.520 2.535 2.048 3.175 . 0 0 "[ . 1 . 2]" 1
1213 1 56 GLU HA 1 59 LYS QE . . 3.820 3.684 3.283 3.814 . 0 0 "[ . 1 . 2]" 1
1214 1 59 LYS HA 1 59 LYS QG . . 3.570 2.300 2.111 2.469 . 0 0 "[ . 1 . 2]" 1
1215 1 59 LYS QB 1 60 LYS H . . 3.550 2.551 2.343 2.756 . 0 0 "[ . 1 . 2]" 1
1216 1 66 GLU HA 1 69 LEU QB . . 2.770 2.695 2.593 2.800 0.030 8 0 "[ . 1 . 2]" 1
1217 1 74 GLU H 1 77 VAL QG . . 4.330 4.131 3.829 4.415 0.085 12 0 "[ . 1 . 2]" 1
1218 1 74 GLU QG 1 77 VAL QG . . 4.860 3.850 3.643 4.395 . 0 0 "[ . 1 . 2]" 1
1219 1 75 GLU H 1 75 GLU QB . . 3.230 2.135 2.011 2.390 . 0 0 "[ . 1 . 2]" 1
1220 1 75 GLU QB 1 76 ALA H . . 2.750 2.544 2.441 2.637 . 0 0 "[ . 1 . 2]" 1
1221 1 76 ALA HA 1 77 VAL QG . . 5.390 4.790 4.763 4.873 . 0 0 "[ . 1 . 2]" 1
1222 1 77 VAL HA 1 77 VAL QG . . 2.760 2.144 2.115 2.173 . 0 0 "[ . 1 . 2]" 1
1223 1 77 VAL QG 1 85 LYS HA . . 4.570 2.194 2.009 2.692 . 0 0 "[ . 1 . 2]" 1
1224 1 82 PRO QB 1 83 GLU H . . 3.430 3.026 2.902 3.206 . 0 0 "[ . 1 . 2]" 1
1225 1 83 GLU H 1 83 GLU QB . . 3.470 2.431 2.192 2.603 . 0 0 "[ . 1 . 2]" 1
1226 1 83 GLU QB 1 84 ALA H . . 3.570 3.465 2.719 3.566 . 0 0 "[ . 1 . 2]" 1
1227 1 83 GLU QG 1 86 LYS QG . . 5.340 5.203 3.312 5.428 0.088 12 0 "[ . 1 . 2]" 1
1228 1 85 LYS QE 1 89 ALA MB . . 3.750 3.295 2.702 3.814 0.064 11 0 "[ . 1 . 2]" 1
1229 1 87 ALA HA 1 90 GLU QB . . 3.390 2.791 2.571 3.085 . 0 0 "[ . 1 . 2]" 1
1230 1 89 ALA HA 1 92 SER QB . . 3.150 2.550 2.352 2.782 . 0 0 "[ . 1 . 2]" 1
1231 1 90 GLU H 1 90 GLU QB . . 3.530 2.228 2.117 2.363 . 0 0 "[ . 1 . 2]" 1
1232 1 90 GLU HA 1 90 GLU QB . . 2.410 2.387 2.207 2.517 0.107 16 0 "[ . 1 . 2]" 1
1233 1 91 LEU H 1 91 LEU QD . . 5.040 3.264 2.250 3.746 . 0 0 "[ . 1 . 2]" 1
1234 1 91 LEU QB 1 92 SER QB . . 4.300 3.965 3.799 4.130 . 0 0 "[ . 1 . 2]" 1
1235 1 92 SER QB 1 94 ILE H . . 5.340 4.870 4.729 5.003 . 0 0 "[ . 1 . 2]" 1
1236 1 95 ALA H 1 96 GLU QB . . 5.010 4.924 4.541 5.133 0.123 7 0 "[ . 1 . 2]" 1
1237 1 97 ASP H 1 97 ASP QB . . 3.610 2.606 2.334 2.864 . 0 0 "[ . 1 . 2]" 1
1238 1 99 SER QB 1 100 LEU H . . 3.540 3.295 3.088 3.499 . 0 0 "[ . 1 . 2]" 1
1239 1 100 LEU HA 1 100 LEU QD . . 2.960 2.175 1.943 2.502 . 0 0 "[ . 1 . 2]" 1
1240 1 102 GLY QA 1 105 LYS QB . . 4.050 3.980 3.269 4.133 0.083 14 0 "[ . 1 . 2]" 1
1241 1 105 LYS H 1 105 LYS QB . . 2.950 2.231 2.090 2.392 . 0 0 "[ . 1 . 2]" 1
1242 1 112 ILE H 1 112 ILE QG . . 3.380 2.167 2.066 2.298 . 0 0 "[ . 1 . 2]" 1
1243 1 116 LEU HA 1 116 LEU QD . . 3.420 2.288 2.041 3.373 . 0 0 "[ . 1 . 2]" 1
1244 1 116 LEU QD 1 121 LYS QG . . 4.210 3.081 1.788 4.074 . 0 0 "[ . 1 . 2]" 1
1245 1 120 VAL HA 1 120 VAL QG . . 2.610 2.227 2.097 2.323 . 0 0 "[ . 1 . 2]" 1
1246 1 122 ASP H 1 122 ASP QB . . 3.400 2.268 2.185 2.422 . 0 0 "[ . 1 . 2]" 1
1247 1 122 ASP QB 1 123 GLU H . . 3.550 2.675 2.562 2.868 . 0 0 "[ . 1 . 2]" 1
1248 1 123 GLU H 1 123 GLU QG . . 3.350 2.823 2.767 3.072 . 0 0 "[ . 1 . 2]" 1
1249 1 123 GLU QG 1 124 LEU HA . . 4.440 3.493 3.434 3.751 . 0 0 "[ . 1 . 2]" 1
1250 1 130 PRO QB 1 131 ALA H . . 3.740 3.174 2.416 3.803 0.063 13 0 "[ . 1 . 2]" 1
1251 1 133 PRO QB 1 134 GLN H . . 3.910 2.794 2.021 3.772 . 0 0 "[ . 1 . 2]" 1
1252 1 133 PRO QG 1 134 GLN H . . 4.080 3.592 2.817 4.050 . 0 0 "[ . 1 . 2]" 1
1253 1 32 THR MG 1 61 GLU QG . . 7.400 7.475 7.433 7.524 0.124 6 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 84
_Distance_constraint_stats_list.Viol_count 217
_Distance_constraint_stats_list.Viol_total 548.800
_Distance_constraint_stats_list.Viol_max 0.496
_Distance_constraint_stats_list.Viol_rms 0.0537
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0163
_Distance_constraint_stats_list.Viol_average_violations_only 0.1265
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 PRO 1.710 0.161 14 0 "[ . 1 . 2]"
1 8 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 LEU 0.921 0.294 9 0 "[ . 1 . 2]"
1 11 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLY 0.913 0.204 2 0 "[ . 1 . 2]"
1 13 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 VAL 0.913 0.204 2 0 "[ . 1 . 2]"
1 19 LYS 1.818 0.242 1 0 "[ . 1 . 2]"
1 20 ALA 0.618 0.109 13 0 "[ . 1 . 2]"
1 21 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 PHE 1.200 0.242 1 0 "[ . 1 . 2]"
1 23 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LEU 0.360 0.055 15 0 "[ . 1 . 2]"
1 31 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 THR 6.820 0.351 17 0 "[ . 1 . 2]"
1 33 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 PRO 5.408 0.351 17 0 "[ . 1 . 2]"
1 36 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLU 0.299 0.264 3 0 "[ . 1 . 2]"
1 40 LEU 3.403 0.294 9 0 "[ . 1 . 2]"
1 41 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 TRP 4.711 0.356 6 0 "[ . 1 . 2]"
1 44 VAL 1.479 0.202 9 0 "[ . 1 . 2]"
1 47 LEU 3.311 0.356 6 0 "[ . 1 . 2]"
1 51 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 LYS 0.202 0.202 9 0 "[ . 1 . 2]"
1 53 ALA 1.986 0.281 15 0 "[ . 1 . 2]"
1 55 PHE 0.031 0.031 15 0 "[ . 1 . 2]"
1 56 GLU 1.986 0.281 15 0 "[ . 1 . 2]"
1 61 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 PRO 1.780 0.189 14 0 "[ . 1 . 2]"
1 83 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ALA 1.780 0.189 14 0 "[ . 1 . 2]"
1 103 ILE 0.372 0.189 11 0 "[ . 1 . 2]"
1 104 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 LEU 0.568 0.125 9 0 "[ . 1 . 2]"
1 117 PRO 4.616 0.496 8 0 "[ . 1 . 2]"
1 120 VAL 4.048 0.496 8 0 "[ . 1 . 2]"
1 123 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 GLY 1.626 0.352 7 0 "[ . 1 . 2]"
1 128 ILE 1.626 0.352 7 0 "[ . 1 . 2]"
1 129 GLY 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 3 THR HB 1 4 PRO QG . . 3.820 3.515 3.373 3.646 . 0 0 "[ . 1 . 2]" 2
2 1 4 PRO QB 1 32 THR HB . . 4.640 4.724 4.602 4.801 0.161 14 0 "[ . 1 . 2]" 2
3 1 4 PRO QB 1 34 PRO QD . . 4.880 4.341 2.538 4.663 . 0 0 "[ . 1 . 2]" 2
4 1 8 PRO QB 1 11 ALA H . . 4.040 3.100 2.843 3.473 . 0 0 "[ . 1 . 2]" 2
5 1 8 PRO QB 1 11 ALA HA . . 4.320 3.079 2.804 3.797 . 0 0 "[ . 1 . 2]" 2
6 1 10 LEU H 1 40 LEU QB . . 4.230 4.148 3.538 4.524 0.294 9 0 "[ . 1 . 2]" 2
7 1 10 LEU H 1 40 LEU QD . . 5.440 3.394 2.585 4.053 . 0 0 "[ . 1 . 2]" 2
8 1 10 LEU QB 1 17 VAL QG . . 5.060 4.257 3.837 4.553 . 0 0 "[ . 1 . 2]" 2
9 1 10 LEU QD 1 17 VAL QG . . 3.630 2.136 1.906 2.343 . 0 0 "[ . 1 . 2]" 2
10 1 10 LEU QD 1 21 PHE QB . . 4.120 2.415 2.076 2.826 . 0 0 "[ . 1 . 2]" 2
11 1 12 GLY H 1 17 VAL QG . . 5.440 5.394 5.094 5.644 0.204 2 0 "[ . 1 . 2]" 2
12 1 13 ALA HA 1 14 PRO QD . . 2.640 2.232 2.206 2.256 . 0 0 "[ . 1 . 2]" 2
13 1 13 ALA HA 1 17 VAL QG . . 4.180 3.795 3.727 3.868 . 0 0 "[ . 1 . 2]" 2
14 1 13 ALA MB 1 17 VAL QG . . 3.540 1.964 1.862 2.066 . 0 0 "[ . 1 . 2]" 2
15 1 14 PRO QG 1 17 VAL QG . . 3.890 2.416 2.231 2.711 . 0 0 "[ . 1 . 2]" 2
16 1 14 PRO QD 1 17 VAL H . . 4.160 3.824 3.763 3.908 . 0 0 "[ . 1 . 2]" 2
17 1 14 PRO QD 1 17 VAL QG . . 3.550 2.379 2.252 2.510 . 0 0 "[ . 1 . 2]" 2
18 1 16 ASP HA 1 19 LYS QG . . 4.780 4.643 4.530 4.754 . 0 0 "[ . 1 . 2]" 2
19 1 17 VAL H 1 17 VAL QG . . 3.400 2.496 2.419 2.586 . 0 0 "[ . 1 . 2]" 2
20 1 17 VAL HA 1 17 VAL QG . . 2.500 2.110 2.071 2.157 . 0 0 "[ . 1 . 2]" 2
21 1 17 VAL QG 1 19 LYS H . . 5.440 4.637 4.548 4.697 . 0 0 "[ . 1 . 2]" 2
22 1 17 VAL QG 1 20 ALA MB . . 4.520 3.112 3.033 3.243 . 0 0 "[ . 1 . 2]" 2
23 1 17 VAL QG 1 47 LEU QD . . 3.130 2.414 1.998 2.938 . 0 0 "[ . 1 . 2]" 2
24 1 19 LYS H 1 22 PHE QB . . 4.710 4.753 4.624 4.952 0.242 1 0 "[ . 1 . 2]" 2
25 1 19 LYS HA 1 19 LYS QG . . 3.350 3.233 3.206 3.249 . 0 0 "[ . 1 . 2]" 2
26 1 19 LYS QG 1 20 ALA HA . . 3.410 3.432 3.355 3.519 0.109 13 0 "[ . 1 . 2]" 2
27 1 21 PHE QB 1 22 PHE H . . 3.390 2.879 2.656 3.015 . 0 0 "[ . 1 . 2]" 2
28 1 22 PHE QB 1 23 GLU H . . 2.910 2.618 2.578 2.670 . 0 0 "[ . 1 . 2]" 2
29 1 24 LEU QD 1 40 LEU H . . 4.830 4.363 3.741 4.877 0.047 8 0 "[ . 1 . 2]" 2
30 1 24 LEU QD 1 40 LEU QD . . 3.310 2.026 1.824 2.754 . 0 0 "[ . 1 . 2]" 2
31 1 24 LEU QD 1 43 TRP QB . . 3.640 3.619 3.479 3.695 0.055 15 0 "[ . 1 . 2]" 2
32 1 24 LEU QD 1 43 TRP HD1 . . 4.370 2.833 2.504 3.251 . 0 0 "[ . 1 . 2]" 2
33 1 31 LYS H 1 31 LYS QB . . 3.510 2.258 2.146 2.389 . 0 0 "[ . 1 . 2]" 2
34 1 31 LYS QB 1 32 THR H . . 3.420 2.286 2.013 2.940 . 0 0 "[ . 1 . 2]" 2
35 1 32 THR HA 1 34 PRO QD . . 3.780 4.035 3.890 4.131 0.351 17 0 "[ . 1 . 2]" 2
36 1 32 THR HB 1 34 PRO QD . . 3.080 2.156 2.055 2.266 . 0 0 "[ . 1 . 2]" 2
37 1 33 ASP H 1 34 PRO QD . . 4.090 2.545 2.417 2.642 . 0 0 "[ . 1 . 2]" 2
38 1 33 ASP QB 1 34 PRO QD . . 2.920 2.098 1.998 2.194 . 0 0 "[ . 1 . 2]" 2
39 1 34 PRO QD 1 37 GLU QG . . 5.350 4.850 4.135 5.614 0.264 3 0 "[ . 1 . 2]" 2
40 1 36 ILE HA 1 40 LEU QD . . 4.640 3.232 2.618 3.612 . 0 0 "[ . 1 . 2]" 2
41 1 40 LEU H 1 40 LEU QB . . 3.360 2.225 2.159 2.305 . 0 0 "[ . 1 . 2]" 2
42 1 40 LEU H 1 40 LEU QD . . 4.160 2.351 2.209 2.503 . 0 0 "[ . 1 . 2]" 2
43 1 40 LEU HA 1 43 TRP QB . . 4.620 4.674 4.563 4.731 0.111 16 0 "[ . 1 . 2]" 2
44 1 40 LEU QB 1 44 VAL H . . 4.760 4.803 4.570 4.931 0.171 16 0 "[ . 1 . 2]" 2
45 1 40 LEU QD 1 43 TRP HD1 . . 3.650 3.214 3.059 3.337 . 0 0 "[ . 1 . 2]" 2
46 1 40 LEU QD 1 43 TRP HZ2 . . 4.680 2.994 2.878 3.062 . 0 0 "[ . 1 . 2]" 2
47 1 41 ASP QB 1 44 VAL QG . . 3.770 3.466 3.131 3.697 . 0 0 "[ . 1 . 2]" 2
48 1 43 TRP H 1 43 TRP QB . . 3.440 2.491 2.440 2.525 . 0 0 "[ . 1 . 2]" 2
49 1 43 TRP QB 1 44 VAL H . . 3.780 3.675 3.622 3.734 . 0 0 "[ . 1 . 2]" 2
50 1 43 TRP HE1 1 47 LEU QD . . 4.740 4.899 4.620 5.096 0.356 6 0 "[ . 1 . 2]" 2
51 1 44 VAL H 1 44 VAL QG . . 3.680 2.965 2.590 3.020 . 0 0 "[ . 1 . 2]" 2
52 1 44 VAL HA 1 47 LEU QD . . 3.770 2.400 2.314 2.486 . 0 0 "[ . 1 . 2]" 2
53 1 44 VAL QG 1 47 LEU H . . 3.800 3.715 3.593 3.804 0.004 15 0 "[ . 1 . 2]" 2
54 1 44 VAL QG 1 52 LYS HA . . 4.220 3.817 2.969 4.422 0.202 9 0 "[ . 1 . 2]" 2
55 1 44 VAL QG 1 55 PHE QB . . 3.630 3.067 2.560 3.538 . 0 0 "[ . 1 . 2]" 2
56 1 44 VAL QG 1 55 PHE QD . . 4.540 3.954 2.306 4.571 0.031 15 0 "[ . 1 . 2]" 2
57 1 47 LEU QD 1 51 TYR QE . . 5.440 2.879 2.475 3.982 . 0 0 "[ . 1 . 2]" 2
58 1 53 ALA H 1 56 GLU QB . . 5.230 5.303 5.088 5.511 0.281 15 0 "[ . 1 . 2]" 2
59 1 56 GLU H 1 56 GLU QB . . 3.250 2.180 2.115 2.294 . 0 0 "[ . 1 . 2]" 2
60 1 61 GLU H 1 61 GLU QB . . 2.270 2.232 2.187 2.261 . 0 0 "[ . 1 . 2]" 2
61 1 61 GLU HA 1 61 GLU QB . . 2.440 2.303 2.265 2.333 . 0 0 "[ . 1 . 2]" 2
62 1 82 PRO QD 1 83 GLU QG . . 4.750 3.494 3.206 4.549 . 0 0 "[ . 1 . 2]" 2
63 1 82 PRO QD 1 84 ALA H . . 4.040 4.121 3.978 4.229 0.189 14 0 "[ . 1 . 2]" 2
64 1 103 ILE H 1 103 ILE QG . . 3.930 3.791 3.675 4.119 0.189 11 0 "[ . 1 . 2]" 2
65 1 103 ILE HA 1 103 ILE QG . . 3.660 2.576 2.440 3.166 . 0 0 "[ . 1 . 2]" 2
66 1 104 GLN QE 1 104 GLN QG . . 2.570 2.272 2.171 2.462 . 0 0 "[ . 1 . 2]" 2
67 1 116 LEU HA 1 117 PRO QD . . 2.650 2.167 2.106 2.201 . 0 0 "[ . 1 . 2]" 2
68 1 116 LEU QB 1 117 PRO QD . . 3.830 2.743 2.199 3.955 0.125 9 0 "[ . 1 . 2]" 2
69 1 116 LEU QD 1 117 PRO QD . . 4.100 2.641 2.084 3.562 . 0 0 "[ . 1 . 2]" 2
70 1 117 PRO QB 1 120 VAL H . . 4.570 3.444 2.432 3.822 . 0 0 "[ . 1 . 2]" 2
71 1 117 PRO QG 1 120 VAL H . . 4.040 2.484 2.269 3.102 . 0 0 "[ . 1 . 2]" 2
72 1 117 PRO QG 1 120 VAL HA . . 4.580 4.782 4.695 5.076 0.496 8 0 "[ . 1 . 2]" 2
73 1 117 PRO QG 1 120 VAL QG . . 3.280 2.195 2.065 2.359 . 0 0 "[ . 1 . 2]" 2
74 1 117 PRO QD 1 120 VAL QG . . 4.050 2.175 1.989 2.954 . 0 0 "[ . 1 . 2]" 2
75 1 120 VAL QG 1 123 GLU QG . . 4.680 2.762 2.573 2.857 . 0 0 "[ . 1 . 2]" 2
76 1 123 GLU H 1 123 GLU QB . . 3.590 2.300 2.216 2.340 . 0 0 "[ . 1 . 2]" 2
77 1 123 GLU HA 1 123 GLU QB . . 2.480 2.127 2.113 2.133 . 0 0 "[ . 1 . 2]" 2
78 1 123 GLU QB 1 124 LEU H . . 3.700 3.593 3.515 3.640 . 0 0 "[ . 1 . 2]" 2
79 1 124 LEU H 1 124 LEU QB . . 2.900 2.428 2.375 2.630 . 0 0 "[ . 1 . 2]" 2
80 1 124 LEU QB 1 125 GLU H . . 4.230 3.739 3.692 3.786 . 0 0 "[ . 1 . 2]" 2
81 1 127 GLY QA 1 128 ILE H . . 2.940 2.202 2.080 2.703 . 0 0 "[ . 1 . 2]" 2
82 1 127 GLY QA 1 128 ILE MG . . 4.390 3.730 3.283 4.322 . 0 0 "[ . 1 . 2]" 2
83 1 127 GLY QA 1 128 ILE MD . . 3.220 2.953 2.371 3.572 0.352 7 0 "[ . 1 . 2]" 2
84 1 127 GLY QA 1 129 GLY H . . 4.530 4.107 3.917 4.464 . 0 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 57
_Distance_constraint_stats_list.Viol_count 1103
_Distance_constraint_stats_list.Viol_total 3645.418
_Distance_constraint_stats_list.Viol_max 0.457
_Distance_constraint_stats_list.Viol_rms 0.0842
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1599
_Distance_constraint_stats_list.Viol_average_violations_only 0.1653
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 15 GLN 4.299 0.244 4 0 "[ . 1 . 2]"
1 17 VAL 2.393 0.199 10 0 "[ . 1 . 2]"
1 18 VAL 2.298 0.171 5 0 "[ . 1 . 2]"
1 19 LYS 6.475 0.244 4 0 "[ . 1 . 2]"
1 20 ALA 4.811 0.268 5 0 "[ . 1 . 2]"
1 21 PHE 3.169 0.199 10 0 "[ . 1 . 2]"
1 22 PHE 5.538 0.261 12 0 "[ . 1 . 2]"
1 23 GLU 2.176 0.202 12 0 "[ . 1 . 2]"
1 24 LEU 4.811 0.268 5 0 "[ . 1 . 2]"
1 25 LEU 0.776 0.108 10 0 "[ . 1 . 2]"
1 26 LYS 3.240 0.261 12 0 "[ . 1 . 2]"
1 33 ASP 4.453 0.304 10 0 "[ . 1 . 2]"
1 34 PRO 4.761 0.431 9 0 "[ . 1 . 2]"
1 36 ILE 3.615 0.270 19 0 "[ . 1 . 2]"
1 37 GLU 5.173 0.304 10 0 "[ . 1 . 2]"
1 38 LYS 9.179 0.457 9 0 "[ . 1 . 2]"
1 40 LEU 7.554 0.270 19 0 "[ . 1 . 2]"
1 41 ASP 4.157 0.258 9 0 "[ . 1 . 2]"
1 42 ALA 4.417 0.457 9 0 "[ . 1 . 2]"
1 44 VAL 3.939 0.262 16 0 "[ . 1 . 2]"
1 45 ASP 3.438 0.258 9 0 "[ . 1 . 2]"
1 52 LYS 5.100 0.387 6 0 "[ . 1 . 2]"
1 53 ALA 5.527 0.340 8 0 "[ . 1 . 2]"
1 54 LYS 2.211 0.201 8 0 "[ . 1 . 2]"
1 55 PHE 3.330 0.316 5 0 "[ . 1 . 2]"
1 56 GLU 5.100 0.387 6 0 "[ . 1 . 2]"
1 57 THR 9.435 0.340 8 0 "[ . 1 . 2]"
1 58 PHE 3.035 0.201 8 0 "[ . 1 . 2]"
1 59 LYS 7.252 0.316 5 0 "[ . 1 . 2]"
1 60 LYS 3.848 0.238 20 0 "[ . 1 . 2]"
1 61 GLU 6.901 0.310 4 0 "[ . 1 . 2]"
1 62 MET 3.043 0.210 7 0 "[ . 1 . 2]"
1 63 LYS 6.642 0.296 13 0 "[ . 1 . 2]"
1 64 ALA 7.665 0.238 20 0 "[ . 1 . 2]"
1 65 LYS 6.229 0.240 7 0 "[ . 1 . 2]"
1 66 GLU 3.832 0.210 7 0 "[ . 1 . 2]"
1 67 ALA 4.697 0.211 8 0 "[ . 1 . 2]"
1 68 GLU 8.683 0.271 14 0 "[ . 1 . 2]"
1 69 LEU 4.865 0.240 7 0 "[ . 1 . 2]"
1 70 ALA 1.854 0.161 7 0 "[ . 1 . 2]"
1 71 LYS 6.362 0.291 12 0 "[ . 1 . 2]"
1 72 ALA 10.592 0.333 11 0 "[ . 1 . 2]"
1 73 HIS 2.498 0.160 10 0 "[ . 1 . 2]"
1 74 GLU 5.186 0.305 14 0 "[ . 1 . 2]"
1 75 GLU 4.386 0.291 12 0 "[ . 1 . 2]"
1 76 ALA 5.726 0.333 11 0 "[ . 1 . 2]"
1 77 VAL 0.869 0.108 1 0 "[ . 1 . 2]"
1 78 ALA 4.945 0.305 14 0 "[ . 1 . 2]"
1 83 GLU 4.995 0.332 4 0 "[ . 1 . 2]"
1 84 ALA 1.499 0.193 4 0 "[ . 1 . 2]"
1 85 LYS 1.302 0.163 9 0 "[ . 1 . 2]"
1 86 LYS 3.969 0.341 17 0 "[ . 1 . 2]"
1 87 ALA 8.470 0.332 4 0 "[ . 1 . 2]"
1 88 ASP 3.858 0.210 15 0 "[ . 1 . 2]"
1 89 ALA 4.024 0.240 1 0 "[ . 1 . 2]"
1 90 GLU 8.082 0.341 17 0 "[ . 1 . 2]"
1 91 LEU 8.498 0.309 4 0 "[ . 1 . 2]"
1 92 SER 2.359 0.210 15 0 "[ . 1 . 2]"
1 93 LYS 2.723 0.240 1 0 "[ . 1 . 2]"
1 94 ILE 4.113 0.288 18 0 "[ . 1 . 2]"
1 95 ALA 5.024 0.295 4 0 "[ . 1 . 2]"
1 103 ILE 1.619 0.251 15 0 "[ . 1 . 2]"
1 104 GLN 4.951 0.284 16 0 "[ . 1 . 2]"
1 105 LYS 3.939 0.278 2 0 "[ . 1 . 2]"
1 106 ALA 2.956 0.293 4 0 "[ . 1 . 2]"
1 107 GLN 4.518 0.251 15 0 "[ . 1 . 2]"
1 108 LYS 7.502 0.284 16 0 "[ . 1 . 2]"
1 109 ILE 5.340 0.278 2 0 "[ . 1 . 2]"
1 110 GLN 7.957 0.334 5 0 "[ . 1 . 2]"
1 111 ALA 2.898 0.216 7 0 "[ . 1 . 2]"
1 112 ILE 2.551 0.209 17 0 "[ . 1 . 2]"
1 113 TYR 1.402 0.170 4 0 "[ . 1 . 2]"
1 114 LYS 5.001 0.334 5 0 "[ . 1 . 2]"
1 118 GLN 0.640 0.077 11 0 "[ . 1 . 2]"
1 119 SER 4.176 0.291 8 0 "[ . 1 . 2]"
1 120 VAL 3.666 0.252 17 0 "[ . 1 . 2]"
1 121 LYS 3.770 0.270 12 0 "[ . 1 . 2]"
1 122 ASP 0.640 0.077 11 0 "[ . 1 . 2]"
1 123 GLU 4.176 0.291 8 0 "[ . 1 . 2]"
1 124 LEU 3.666 0.252 17 0 "[ . 1 . 2]"
1 125 GLU 3.770 0.270 12 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 15 GLN O 1 19 LYS H . . 1.800 2.015 1.977 2.044 0.244 4 0 "[ . 1 . 2]" 3
2 1 17 VAL O 1 21 PHE H . . 1.800 1.920 1.850 1.999 0.199 10 0 "[ . 1 . 2]" 3
3 1 18 VAL O 1 22 PHE H . . 1.800 1.915 1.870 1.971 0.171 5 0 "[ . 1 . 2]" 3
4 1 19 LYS O 1 23 GLU H . . 1.800 1.909 1.804 2.002 0.202 12 0 "[ . 1 . 2]" 3
5 1 20 ALA O 1 24 LEU H . . 1.800 2.041 2.008 2.068 0.268 5 0 "[ . 1 . 2]" 3
6 1 21 PHE O 1 25 LEU H . . 1.800 1.838 1.781 1.908 0.108 10 0 "[ . 1 . 2]" 3
7 1 22 PHE O 1 26 LYS H . . 1.800 1.962 1.806 2.061 0.261 12 0 "[ . 1 . 2]" 3
8 1 33 ASP O 1 37 GLU H . . 1.800 2.023 1.932 2.104 0.304 10 0 "[ . 1 . 2]" 3
9 1 34 PRO O 1 38 LYS H . . 1.800 2.038 1.911 2.231 0.431 9 0 "[ . 1 . 2]" 3
10 1 36 ILE O 1 40 LEU H . . 1.800 1.981 1.860 2.070 0.270 19 0 "[ . 1 . 2]" 3
11 1 37 GLU O 1 41 ASP H . . 1.800 1.830 1.753 1.928 0.128 10 0 "[ . 1 . 2]" 3
12 1 38 LYS O 1 42 ALA H . . 1.800 2.021 1.941 2.257 0.457 9 0 "[ . 1 . 2]" 3
13 1 40 LEU O 1 44 VAL H . . 1.800 1.997 1.865 2.062 0.262 16 0 "[ . 1 . 2]" 3
14 1 41 ASP O 1 45 ASP H . . 1.800 1.972 1.842 2.058 0.258 9 0 "[ . 1 . 2]" 3
15 1 52 LYS O 1 56 GLU H . . 1.800 2.055 1.930 2.187 0.387 6 0 "[ . 1 . 2]" 3
16 1 53 ALA O 1 57 THR H . . 1.800 2.076 2.010 2.140 0.340 8 0 "[ . 1 . 2]" 3
17 1 54 LYS O 1 58 PHE H . . 1.800 1.911 1.819 2.001 0.201 8 0 "[ . 1 . 2]" 3
18 1 55 PHE O 1 59 LYS H . . 1.800 1.967 1.873 2.116 0.316 5 0 "[ . 1 . 2]" 3
19 1 57 THR O 1 61 GLU H . . 1.800 1.995 1.852 2.110 0.310 4 0 "[ . 1 . 2]" 3
20 1 58 PHE O 1 62 MET H . . 1.800 1.839 1.781 1.940 0.140 7 0 "[ . 1 . 2]" 3
21 1 59 LYS O 1 63 LYS H . . 1.800 1.996 1.908 2.096 0.296 13 0 "[ . 1 . 2]" 3
22 1 60 LYS O 1 64 ALA H . . 1.800 1.992 1.865 2.038 0.238 20 0 "[ . 1 . 2]" 3
23 1 61 GLU O 1 65 LYS H . . 1.800 1.950 1.865 2.005 0.205 14 0 "[ . 1 . 2]" 3
24 1 62 MET O 1 66 GLU H . . 1.800 1.911 1.809 2.010 0.210 7 0 "[ . 1 . 2]" 3
25 1 63 LYS O 1 67 ALA H . . 1.800 1.936 1.831 2.011 0.211 8 0 "[ . 1 . 2]" 3
26 1 64 ALA O 1 68 GLU H . . 1.800 1.991 1.906 2.028 0.228 9 0 "[ . 1 . 2]" 3
27 1 65 LYS O 1 69 LEU H . . 1.800 1.962 1.863 2.040 0.240 7 0 "[ . 1 . 2]" 3
28 1 66 GLU O 1 70 ALA H . . 1.800 1.881 1.837 1.961 0.161 7 0 "[ . 1 . 2]" 3
29 1 67 ALA O 1 71 LYS H . . 1.800 1.899 1.850 1.952 0.152 3 0 "[ . 1 . 2]" 3
30 1 68 GLU O 1 72 ALA H . . 1.800 2.043 2.015 2.071 0.271 14 0 "[ . 1 . 2]" 3
31 1 69 LEU O 1 73 HIS H . . 1.800 1.881 1.838 1.960 0.160 10 0 "[ . 1 . 2]" 3
32 1 70 ALA O 1 74 GLU H . . 1.800 1.803 1.764 1.870 0.070 17 0 "[ . 1 . 2]" 3
33 1 71 LYS O 1 75 GLU H . . 1.800 2.019 1.945 2.091 0.291 12 0 "[ . 1 . 2]" 3
34 1 72 ALA O 1 76 ALA H . . 1.800 2.086 2.058 2.133 0.333 11 0 "[ . 1 . 2]" 3
35 1 73 HIS O 1 77 VAL H . . 1.800 1.840 1.755 1.908 0.108 1 0 "[ . 1 . 2]" 3
36 1 74 GLU O 1 78 ALA H . . 1.800 2.047 2.020 2.105 0.305 14 0 "[ . 1 . 2]" 3
37 1 83 GLU O 1 87 ALA H . . 1.800 2.050 2.006 2.132 0.332 4 0 "[ . 1 . 2]" 3
38 1 84 ALA O 1 88 ASP H . . 1.800 1.874 1.789 1.993 0.193 4 0 "[ . 1 . 2]" 3
39 1 85 LYS O 1 89 ALA H . . 1.800 1.865 1.791 1.963 0.163 9 0 "[ . 1 . 2]" 3
40 1 86 LYS O 1 90 GLU H . . 1.800 1.998 1.872 2.141 0.341 17 0 "[ . 1 . 2]" 3
41 1 87 ALA O 1 91 LEU H . . 1.800 1.974 1.911 2.109 0.309 4 0 "[ . 1 . 2]" 3
42 1 88 ASP O 1 92 SER H . . 1.800 1.918 1.843 2.010 0.210 15 0 "[ . 1 . 2]" 3
43 1 89 ALA O 1 93 LYS H . . 1.800 1.936 1.839 2.040 0.240 1 0 "[ . 1 . 2]" 3
44 1 90 GLU O 1 94 ILE H . . 1.800 2.006 1.851 2.088 0.288 18 0 "[ . 1 . 2]" 3
45 1 91 LEU O 1 95 ALA H . . 1.800 2.051 2.003 2.095 0.295 4 0 "[ . 1 . 2]" 3
46 1 103 ILE O 1 107 GLN H . . 1.800 1.879 1.772 2.051 0.251 15 0 "[ . 1 . 2]" 3
47 1 104 GLN O 1 108 LYS H . . 1.800 2.048 1.986 2.084 0.284 16 0 "[ . 1 . 2]" 3
48 1 105 LYS O 1 109 ILE H . . 1.800 1.997 1.911 2.078 0.278 2 0 "[ . 1 . 2]" 3
49 1 106 ALA O 1 110 GLN H . . 1.800 1.948 1.852 2.093 0.293 4 0 "[ . 1 . 2]" 3
50 1 107 GLN O 1 111 ALA H . . 1.800 1.945 1.846 2.016 0.216 7 0 "[ . 1 . 2]" 3
51 1 108 LYS O 1 112 ILE H . . 1.800 1.928 1.871 2.009 0.209 17 0 "[ . 1 . 2]" 3
52 1 109 ILE O 1 113 TYR H . . 1.800 1.869 1.786 1.970 0.170 4 0 "[ . 1 . 2]" 3
53 1 110 GLN O 1 114 LYS H . . 1.800 2.050 1.896 2.134 0.334 5 0 "[ . 1 . 2]" 3
54 1 118 GLN O 1 122 ASP H . . 1.800 1.830 1.772 1.877 0.077 11 0 "[ . 1 . 2]" 3
55 1 119 SER O 1 123 GLU H . . 1.800 2.009 1.912 2.091 0.291 8 0 "[ . 1 . 2]" 3
56 1 120 VAL O 1 124 LEU H . . 1.800 1.983 1.923 2.052 0.252 17 0 "[ . 1 . 2]" 3
57 1 121 LYS O 1 125 GLU H . . 1.800 1.989 1.901 2.070 0.270 12 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 27
_Distance_constraint_stats_list.Viol_count 540
_Distance_constraint_stats_list.Viol_total 23704.348
_Distance_constraint_stats_list.Viol_max 7.543
_Distance_constraint_stats_list.Viol_rms 1.9250
_Distance_constraint_stats_list.Viol_average_all_restraints 2.1948
_Distance_constraint_stats_list.Viol_average_violations_only 2.1948
_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 13 ALA 68.919 3.565 2 20 [*+******-***********]
1 14 PRO 2.965 0.234 3 0 "[ . 1 . 2]"
1 16 ASP 20.501 1.206 3 20 [**+****-************]
1 17 VAL 68.919 3.565 2 20 [*+******-***********]
1 18 VAL 2.965 0.234 3 0 "[ . 1 . 2]"
1 20 ALA 20.501 1.206 3 20 [**+****-************]
1 23 GLU 25.355 1.771 4 20 [***+**-*************]
1 27 LYS 25.355 1.771 4 20 [***+**-*************]
1 29 GLU 135.791 7.386 4 20 [***+****-***********]
1 31 LYS 85.413 4.505 17 20 [********-*******+***]
1 32 THR 2.685 0.335 1 0 "[ . 1 . 2]"
1 33 ASP 135.791 7.386 4 20 [***+****-***********]
1 35 GLU 99.377 4.505 17 20 [**************-*+***]
1 36 ILE 2.685 0.335 1 0 "[ . 1 . 2]"
1 39 ASP 31.263 1.097 3 20 [**+***********-*****]
1 42 ALA 42.864 2.318 8 20 [*******+***-********]
1 43 TRP 40.903 1.278 1 20 [+**********-********]
1 46 THR 42.864 2.318 8 20 [*******+***-********]
1 47 LEU 23.604 1.278 1 20 [+**-****************]
1 49 GLY 58.019 4.794 14 20 [***********-*+******]
1 50 ASP 28.144 1.604 3 20 [**+**-**************]
1 51 TYR 6.850 0.807 3 3 "[ + . 1 * - 2]"
1 53 ALA 58.019 4.794 14 20 [***********-*+******]
1 54 LYS 28.144 1.604 3 20 [**+**-**************]
1 55 PHE 6.850 0.807 3 3 "[ + . 1 * - 2]"
1 56 GLU 13.339 0.979 5 16 "[****+****1 * *****-]"
1 60 LYS 13.339 0.979 5 16 "[****+****1 * *****-]"
1 75 GLU 34.485 1.841 2 20 [*+*******-**********]
1 76 ALA 37.072 2.122 8 20 [*******+-***********]
1 79 LYS 34.485 1.841 2 20 [*+*******-**********]
1 80 MET 124.392 5.077 9 20 [********+***********]
1 81 THR 13.502 0.911 4 20 [***+******-*********]
1 82 PRO 13.269 0.949 15 17 "[****-*********+* * 2]"
1 84 ALA 87.320 5.077 9 20 [********+********-**]
1 85 LYS 13.502 0.911 4 20 [***+******-*********]
1 86 LYS 13.269 0.949 15 17 "[****-*********+* * 2]"
1 92 SER 22.845 1.470 5 20 [*-**+***************]
1 96 GLU 22.845 1.470 5 20 [*-**+***************]
1 100 LEU 93.026 6.286 15 20 [**-***********+*****]
1 101 ASN 92.672 5.080 13 20 [************+**-****]
1 102 GLY 31.433 1.931 15 20 [***-**********+*****]
1 104 GLN 93.026 6.286 15 20 [**-***********+*****]
1 105 LYS 92.672 5.080 13 20 [************+**-****]
1 106 ALA 31.433 1.931 15 20 [***-**********+*****]
1 115 THR 127.295 7.543 11 20 [*-********+*********]
1 116 LEU 80.079 4.392 2 20 [*+*****-************]
1 117 PRO 6.506 0.536 2 1 "[ + . 1 . 2]"
1 119 SER 127.295 7.543 11 20 [*-********+*********]
1 120 VAL 80.079 4.392 2 20 [*+*****-************]
1 121 LYS 6.506 0.536 2 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 13 ALA O 1 17 VAL H . . 1.800 5.246 5.056 5.365 3.565 2 20 [*+******-***********] 4
2 1 14 PRO O 1 18 VAL H . . 1.800 1.948 1.897 2.034 0.234 3 0 "[ . 1 . 2]" 4
3 1 16 ASP O 1 20 ALA H . . 1.800 2.825 2.602 3.006 1.206 3 20 [**+****-************] 4
4 1 23 GLU O 1 27 LYS H . . 1.800 3.068 2.489 3.571 1.771 4 20 [***+**-*************] 4
5 1 29 GLU O 1 33 ASP H . . 1.800 8.590 7.105 9.186 7.386 4 20 [***+****-***********] 4
6 1 31 LYS O 1 35 GLU H . . 1.800 6.071 5.632 6.305 4.505 17 20 [********-*******+***] 4
7 1 32 THR O 1 36 ILE H . . 1.800 1.934 1.814 2.135 0.335 1 0 "[ . 1 . 2]" 4
8 1 35 GLU O 1 39 ASP H . . 1.800 2.498 1.919 2.897 1.097 3 15 "[* +******1* **- ***]" 4
9 1 39 ASP O 1 43 TRP H . . 1.800 2.665 2.555 2.818 1.018 20 20 [***********-*******+] 4
10 1 42 ALA O 1 46 THR H . . 1.800 3.943 3.812 4.118 2.318 8 20 [*******+***-********] 4
11 1 43 TRP O 1 47 LEU H . . 1.800 2.980 2.882 3.078 1.278 1 20 [+**-****************] 4
12 1 49 GLY O 1 53 ALA H . . 1.800 4.701 3.949 6.594 4.794 14 20 [***********-*+******] 4
13 1 50 ASP O 1 54 LYS H . . 1.800 3.207 2.966 3.404 1.604 3 20 [**+**-**************] 4
14 1 51 TYR O 1 55 PHE H . . 1.800 2.143 1.916 2.607 0.807 3 3 "[ + . 1 * - 2]" 4
15 1 56 GLU O 1 60 LYS H . . 1.800 2.467 2.081 2.779 0.979 5 16 "[****+****1 * *****-]" 4
16 1 75 GLU O 1 79 LYS H . . 1.800 3.524 3.292 3.641 1.841 2 20 [*+*******-**********] 4
17 1 76 ALA O 1 80 MET H . . 1.800 3.654 3.148 3.922 2.122 8 20 [*******+-***********] 4
18 1 80 MET O 1 84 ALA H . . 1.800 6.166 5.797 6.877 5.077 9 20 [********+********-**] 4
19 1 81 THR O 1 85 LYS H . . 1.800 2.475 2.313 2.711 0.911 4 20 [***+******-*********] 4
20 1 82 PRO O 1 86 LYS H . . 1.800 2.463 2.210 2.749 0.949 15 17 "[****-*********+* * 2]" 4
21 1 92 SER O 1 96 GLU H . . 1.800 2.942 2.542 3.270 1.470 5 20 [*-**+***************] 4
22 1 100 LEU O 1 104 GLN H . . 1.800 6.451 4.898 8.086 6.286 15 20 [**-***********+*****] 4
23 1 101 ASN O 1 105 LYS H . . 1.800 6.434 5.900 6.880 5.080 13 20 [************+**-****] 4
24 1 102 GLY O 1 106 ALA H . . 1.800 3.372 2.606 3.731 1.931 15 20 [***-**********+*****] 4
25 1 115 THR O 1 119 SER H . . 1.800 8.165 7.656 9.343 7.543 11 20 [*-********+*********] 4
26 1 116 LEU O 1 120 VAL H . . 1.800 5.804 5.409 6.192 4.392 2 20 [*+*****-************] 4
27 1 117 PRO O 1 121 LYS H . . 1.800 2.125 2.019 2.336 0.536 2 1 "[ + . 1 . 2]" 4
stop_
save_
Contact the webmaster for help, if required. Friday, May 17, 2024 8:40:23 PM GMT (wattos1)