NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
429538 |
2jmc   |
15013 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jmc
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 915
_Distance_constraint_stats_list.Viol_count 1075
_Distance_constraint_stats_list.Viol_total 202.482
_Distance_constraint_stats_list.Viol_max 0.140
_Distance_constraint_stats_list.Viol_rms 0.0049
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0094
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 0.001 0.001 3 0 "[ . 1 . 2]"
1 2 ALA 0.001 0.001 3 0 "[ . 1 . 2]"
1 3 MET 0.016 0.008 3 0 "[ . 1 . 2]"
1 4 GLY 0.016 0.008 3 0 "[ . 1 . 2]"
1 5 PRO 0.066 0.020 19 0 "[ . 1 . 2]"
1 6 ARG 0.076 0.020 19 0 "[ . 1 . 2]"
1 7 GLU 0.002 0.001 9 0 "[ . 1 . 2]"
1 8 VAL 0.155 0.015 16 0 "[ . 1 . 2]"
1 9 THR 0.044 0.005 2 0 "[ . 1 . 2]"
1 10 MET 0.053 0.010 20 0 "[ . 1 . 2]"
1 11 LYS 0.009 0.005 2 0 "[ . 1 . 2]"
1 12 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLY 0.003 0.002 20 0 "[ . 1 . 2]"
1 14 ASP 0.026 0.004 20 0 "[ . 1 . 2]"
1 15 ILE 0.085 0.005 18 0 "[ . 1 . 2]"
1 16 LEU 0.533 0.036 17 0 "[ . 1 . 2]"
1 17 THR 0.046 0.006 20 0 "[ . 1 . 2]"
1 18 LEU 0.516 0.025 15 0 "[ . 1 . 2]"
1 19 LEU 2.161 0.120 18 0 "[ . 1 . 2]"
1 20 ASN 0.388 0.028 11 0 "[ . 1 . 2]"
1 21 SER 0.532 0.046 17 0 "[ . 1 . 2]"
1 22 THR 0.393 0.140 17 0 "[ . 1 . 2]"
1 23 ASN 0.485 0.140 17 0 "[ . 1 . 2]"
1 24 LYS 0.063 0.020 20 0 "[ . 1 . 2]"
1 25 ASP 0.003 0.001 5 0 "[ . 1 . 2]"
1 26 TRP 0.204 0.039 20 0 "[ . 1 . 2]"
1 27 TRP 1.060 0.041 18 0 "[ . 1 . 2]"
1 28 LYS 0.336 0.028 11 0 "[ . 1 . 2]"
1 29 VAL 1.048 0.055 16 0 "[ . 1 . 2]"
1 30 GLU 2.972 0.120 18 0 "[ . 1 . 2]"
1 31 VAL 1.397 0.098 20 0 "[ . 1 . 2]"
1 32 ASN 0.820 0.098 20 0 "[ . 1 . 2]"
1 33 ASP 0.177 0.070 16 0 "[ . 1 . 2]"
1 34 ARG 0.281 0.028 6 0 "[ . 1 . 2]"
1 35 GLN 0.197 0.028 9 0 "[ . 1 . 2]"
1 36 GLY 0.190 0.055 16 0 "[ . 1 . 2]"
1 37 PHE 0.285 0.029 20 0 "[ . 1 . 2]"
1 38 VAL 0.387 0.026 20 0 "[ . 1 . 2]"
1 39 PRO 0.047 0.039 20 0 "[ . 1 . 2]"
1 40 ALA 0.140 0.015 16 0 "[ . 1 . 2]"
1 41 ALA 0.005 0.002 14 0 "[ . 1 . 2]"
1 42 TYR 0.253 0.017 16 0 "[ . 1 . 2]"
1 43 VAL 0.027 0.005 16 0 "[ . 1 . 2]"
1 44 LYS 0.032 0.003 18 0 "[ . 1 . 2]"
1 45 LYS 0.004 0.001 12 0 "[ . 1 . 2]"
1 46 LEU 0.015 0.002 14 0 "[ . 1 . 2]"
1 47 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 SER 0.001 0.001 6 0 "[ . 1 . 2]"
1 49 GLY 0.001 0.000 20 0 "[ . 1 . 2]"
1 50 THR 0.000 0.000 16 0 "[ . 1 . 2]"
1 51 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 LYS 0.004 0.004 6 0 "[ . 1 . 2]"
1 53 GLU 0.024 0.004 20 0 "[ . 1 . 2]"
1 54 LEU 1.154 0.083 16 0 "[ . 1 . 2]"
1 55 VAL 1.345 0.083 16 0 "[ . 1 . 2]"
1 56 LEU 0.048 0.004 20 0 "[ . 1 . 2]"
1 57 ALA 0.091 0.005 12 0 "[ . 1 . 2]"
1 58 LEU 0.028 0.004 16 0 "[ . 1 . 2]"
1 59 TYR 0.093 0.009 20 0 "[ . 1 . 2]"
1 60 ASP 0.000 0.000 18 0 "[ . 1 . 2]"
1 61 TYR 0.081 0.009 20 0 "[ . 1 . 2]"
1 62 GLN 0.111 0.026 20 0 "[ . 1 . 2]"
1 63 GLU 0.228 0.026 20 0 "[ . 1 . 2]"
1 64 SER 0.006 0.003 4 0 "[ . 1 . 2]"
1 65 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ASP 0.026 0.007 16 0 "[ . 1 . 2]"
1 67 ASN 0.056 0.013 18 0 "[ . 1 . 2]"
1 68 ALA 0.045 0.007 6 0 "[ . 1 . 2]"
1 69 PRO 0.137 0.043 20 0 "[ . 1 . 2]"
1 70 SER 0.114 0.071 20 0 "[ . 1 . 2]"
1 71 TYR 0.160 0.071 20 0 "[ . 1 . 2]"
1 72 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 PRO 0.010 0.002 4 0 "[ . 1 . 2]"
1 74 PRO 0.088 0.013 20 0 "[ . 1 . 2]"
1 75 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 PRO 0.055 0.003 10 0 "[ . 1 . 2]"
1 77 PRO 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 36 GLY QA 1 37 PHE QD . . 3.990 3.637 3.385 3.992 0.002 16 0 "[ . 1 . 2]" 1
2 1 61 TYR QE 1 63 GLU HA . . 3.760 2.545 2.315 2.803 . 0 0 "[ . 1 . 2]" 1
3 1 28 LYS HA 1 37 PHE QD . . 4.160 3.850 3.613 4.162 0.002 15 0 "[ . 1 . 2]" 1
4 1 27 TRP H 1 40 ALA MB . . 4.250 3.178 2.916 3.382 . 0 0 "[ . 1 . 2]" 1
5 1 27 TRP H 1 38 VAL MG2 . . 4.110 3.340 3.261 3.440 . 0 0 "[ . 1 . 2]" 1
6 1 29 VAL H 1 38 VAL MG2 . . 3.550 2.809 2.715 2.927 . 0 0 "[ . 1 . 2]" 1
7 1 38 VAL H 1 38 VAL MG2 . . 3.230 2.087 1.868 2.235 . 0 0 "[ . 1 . 2]" 1
8 1 29 VAL H 1 29 VAL MG2 . . 3.160 2.297 2.180 2.387 . 0 0 "[ . 1 . 2]" 1
9 1 29 VAL MG2 1 38 VAL H . . 4.150 4.028 3.831 4.152 0.002 17 0 "[ . 1 . 2]" 1
10 1 16 LEU H 1 55 VAL MG2 . . 3.740 3.284 3.116 3.473 . 0 0 "[ . 1 . 2]" 1
11 1 43 VAL MG1 1 58 LEU H . . 3.920 3.281 3.013 3.533 . 0 0 "[ . 1 . 2]" 1
12 1 31 VAL MG1 1 32 ASN H . . 4.240 3.730 3.385 4.139 . 0 0 "[ . 1 . 2]" 1
13 1 19 LEU H 1 29 VAL MG1 . . 4.010 2.949 2.720 3.156 . 0 0 "[ . 1 . 2]" 1
14 1 15 ILE MG 1 16 LEU H . . 3.340 2.618 1.938 3.137 . 0 0 "[ . 1 . 2]" 1
15 1 16 LEU H 1 16 LEU MD1 . . 3.650 2.418 2.197 2.831 . 0 0 "[ . 1 . 2]" 1
16 1 16 LEU MD1 1 57 ALA H . . 4.230 3.202 3.013 3.455 . 0 0 "[ . 1 . 2]" 1
17 1 29 VAL H 1 29 VAL MG1 . . 3.970 3.006 2.849 3.098 . 0 0 "[ . 1 . 2]" 1
18 1 43 VAL MG1 1 44 LYS H . . 3.770 3.393 3.208 3.516 . 0 0 "[ . 1 . 2]" 1
19 1 43 VAL MG2 1 44 LYS H . . 4.110 3.325 3.144 3.532 . 0 0 "[ . 1 . 2]" 1
20 1 31 VAL H 1 31 VAL MG1 . . 4.350 3.780 3.429 3.886 . 0 0 "[ . 1 . 2]" 1
21 1 11 LYS H 1 16 LEU MD2 . . 4.460 3.373 2.968 4.222 . 0 0 "[ . 1 . 2]" 1
22 1 31 VAL H 1 31 VAL MG2 . . 4.350 2.716 1.808 3.237 . 0 0 "[ . 1 . 2]" 1
23 1 55 VAL MG1 1 56 LEU H . . 4.220 3.626 3.426 3.726 . 0 0 "[ . 1 . 2]" 1
24 1 58 LEU H 1 58 LEU HB3 . . 3.650 3.587 3.540 3.609 . 0 0 "[ . 1 . 2]" 1
25 1 17 THR MG 1 18 LEU H . . 3.470 2.650 2.371 2.909 . 0 0 "[ . 1 . 2]" 1
26 1 17 THR MG 1 30 GLU H . . 4.030 3.826 3.703 3.956 . 0 0 "[ . 1 . 2]" 1
27 1 9 THR MG 1 61 TYR H . . 5.500 5.331 5.036 5.505 0.005 2 0 "[ . 1 . 2]" 1
28 1 17 THR MG 1 19 LEU H . . 3.830 3.216 2.908 3.535 . 0 0 "[ . 1 . 2]" 1
29 1 19 LEU H 1 19 LEU HB3 . . 4.140 3.479 3.460 3.515 . 0 0 "[ . 1 . 2]" 1
30 1 56 LEU HG 1 57 ALA H . . 4.010 3.053 1.899 4.013 0.003 11 0 "[ . 1 . 2]" 1
31 1 13 GLY H 1 56 LEU HG . . 5.010 4.260 3.358 4.970 . 0 0 "[ . 1 . 2]" 1
32 1 21 SER H 1 22 THR MG . . 4.240 4.178 3.732 4.286 0.046 17 0 "[ . 1 . 2]" 1
33 1 56 LEU H 1 56 LEU HB3 . . 3.500 2.492 2.337 2.594 . 0 0 "[ . 1 . 2]" 1
34 1 56 LEU HB3 1 57 ALA H . . 4.530 3.799 3.692 3.857 . 0 0 "[ . 1 . 2]" 1
35 1 58 LEU H 1 58 LEU HG . . 3.330 1.964 1.900 2.095 . 0 0 "[ . 1 . 2]" 1
36 1 22 THR MG 1 23 ASN H . . 4.350 2.096 1.775 3.943 . 0 0 "[ . 1 . 2]" 1
37 1 46 LEU HB3 1 47 ASP H . . 3.590 2.199 1.991 3.198 . 0 0 "[ . 1 . 2]" 1
38 1 57 ALA H 1 57 ALA MB . . 3.090 2.212 2.146 2.328 . 0 0 "[ . 1 . 2]" 1
39 1 54 LEU HB3 1 55 VAL H . . 3.830 3.390 3.248 3.595 . 0 0 "[ . 1 . 2]" 1
40 1 54 LEU HG 1 55 VAL H . . 5.210 4.943 4.524 5.121 . 0 0 "[ . 1 . 2]" 1
41 1 57 ALA MB 1 58 LEU H . . 3.940 3.393 3.317 3.479 . 0 0 "[ . 1 . 2]" 1
42 1 45 LYS H 1 45 LYS HB3 . . 3.520 3.354 3.279 3.418 . 0 0 "[ . 1 . 2]" 1
43 1 15 ILE HB 1 16 LEU H . . 4.770 4.204 3.893 4.440 . 0 0 "[ . 1 . 2]" 1
44 1 52 LYS HB3 1 53 GLU H . . 4.240 2.348 1.900 2.966 . 0 0 "[ . 1 . 2]" 1
45 1 16 LEU HB3 1 30 GLU H . . 3.770 3.784 3.775 3.806 0.036 17 0 "[ . 1 . 2]" 1
46 1 13 GLY H 1 57 ALA MB . . 3.440 2.846 2.426 3.204 . 0 0 "[ . 1 . 2]" 1
47 1 57 ALA MB 1 61 TYR H . . 5.010 4.731 4.393 4.927 . 0 0 "[ . 1 . 2]" 1
48 1 44 LYS H 1 55 VAL HB . . 4.010 2.804 2.691 2.950 . 0 0 "[ . 1 . 2]" 1
49 1 43 VAL HB 1 44 LYS H . . 3.310 2.043 1.900 2.202 . 0 0 "[ . 1 . 2]" 1
50 1 18 LEU H 1 53 GLU HB3 . . 4.370 4.192 3.972 4.371 0.001 17 0 "[ . 1 . 2]" 1
51 1 29 VAL HB 1 30 GLU H . . 2.950 2.983 2.944 2.998 0.048 13 0 "[ . 1 . 2]" 1
52 1 31 VAL H 1 31 VAL HB . . 3.380 2.921 2.635 3.472 0.092 19 0 "[ . 1 . 2]" 1
53 1 55 VAL HB 1 56 LEU H . . 3.600 3.516 3.292 3.581 . 0 0 "[ . 1 . 2]" 1
54 1 29 VAL H 1 29 VAL HB . . 4.160 3.929 3.916 3.943 . 0 0 "[ . 1 . 2]" 1
55 1 19 LEU H 1 29 VAL HB . . 4.740 3.882 3.829 3.990 . 0 0 "[ . 1 . 2]" 1
56 1 10 MET H 1 10 MET HG3 . . 4.410 2.745 1.898 4.207 . 0 0 "[ . 1 . 2]" 1
57 1 27 TRP HB3 1 28 LYS H . . 3.840 3.718 3.550 3.797 . 0 0 "[ . 1 . 2]" 1
58 1 26 TRP HE1 1 69 PRO HA . . 5.260 4.619 4.489 4.759 . 0 0 "[ . 1 . 2]" 1
59 1 26 TRP HE1 1 73 PRO HD3 . . 4.420 2.517 2.327 2.894 . 0 0 "[ . 1 . 2]" 1
60 1 26 TRP HE1 1 72 SER HA . . 4.440 2.840 2.607 3.102 . 0 0 "[ . 1 . 2]" 1
61 1 26 TRP HE1 1 73 PRO HA . . 4.820 3.349 3.117 3.536 . 0 0 "[ . 1 . 2]" 1
62 1 12 LYS HA 1 13 GLY H . . 2.800 2.149 2.146 2.152 . 0 0 "[ . 1 . 2]" 1
63 1 15 ILE MG 1 55 VAL H . . 3.820 2.869 2.699 3.042 . 0 0 "[ . 1 . 2]" 1
64 1 55 VAL H 1 55 VAL MG2 . . 3.080 2.282 2.186 2.369 . 0 0 "[ . 1 . 2]" 1
65 1 28 LYS H 1 28 LYS HB3 . . 3.690 2.855 2.818 2.906 . 0 0 "[ . 1 . 2]" 1
66 1 27 TRP HB3 1 38 VAL H . . 5.500 5.260 5.175 5.351 . 0 0 "[ . 1 . 2]" 1
67 1 23 ASN H 1 23 ASN HB3 . . 3.510 3.373 3.148 3.433 . 0 0 "[ . 1 . 2]" 1
68 1 9 THR HB 1 10 MET H . . 3.970 3.174 2.614 3.552 . 0 0 "[ . 1 . 2]" 1
69 1 17 THR HB 1 30 GLU H . . 3.850 2.698 2.399 2.976 . 0 0 "[ . 1 . 2]" 1
70 1 17 THR HB 1 18 LEU H . . 4.530 4.227 4.090 4.326 . 0 0 "[ . 1 . 2]" 1
71 1 24 LYS HA 1 27 TRP HE1 . . 3.680 3.135 2.195 3.416 . 0 0 "[ . 1 . 2]" 1
72 1 22 THR HB 1 23 ASN H . . 3.970 3.770 2.812 3.970 . 0 0 "[ . 1 . 2]" 1
73 1 52 LYS HA 1 53 GLU H . . 2.810 2.453 2.225 2.671 . 0 0 "[ . 1 . 2]" 1
74 1 45 LYS HA 1 56 LEU H . . 3.920 3.817 3.659 3.921 0.001 12 0 "[ . 1 . 2]" 1
75 1 28 LYS HA 1 38 VAL H . . 4.170 2.830 2.670 2.925 . 0 0 "[ . 1 . 2]" 1
76 1 28 LYS HA 1 29 VAL H . . 2.980 2.176 2.163 2.188 . 0 0 "[ . 1 . 2]" 1
77 1 18 LEU HA 1 19 LEU H . . 3.020 2.440 2.381 2.531 . 0 0 "[ . 1 . 2]" 1
78 1 32 ASN H 1 32 ASN HA . . 2.880 2.453 2.275 2.947 0.067 19 0 "[ . 1 . 2]" 1
79 1 57 ALA HA 1 58 LEU H . . 2.910 2.159 2.144 2.184 . 0 0 "[ . 1 . 2]" 1
80 1 17 THR HA 1 55 VAL H . . 4.220 4.151 4.007 4.226 0.006 20 0 "[ . 1 . 2]" 1
81 1 20 ASN HA 1 21 SER H . . 2.920 2.170 2.146 2.193 . 0 0 "[ . 1 . 2]" 1
82 1 9 THR HA 1 10 MET H . . 3.000 2.188 2.142 2.319 . 0 0 "[ . 1 . 2]" 1
83 1 44 LYS HA 1 45 LYS H . . 2.780 2.218 2.154 2.317 . 0 0 "[ . 1 . 2]" 1
84 1 18 LEU HA 1 30 GLU H . . 5.340 4.883 4.813 4.934 . 0 0 "[ . 1 . 2]" 1
85 1 31 VAL H 1 33 ASP HA . . 5.500 5.265 5.014 5.570 0.070 16 0 "[ . 1 . 2]" 1
86 1 46 LEU HA 1 47 ASP H . . 2.970 2.533 2.161 2.628 . 0 0 "[ . 1 . 2]" 1
87 1 17 THR HA 1 18 LEU H . . 2.900 2.150 2.141 2.165 . 0 0 "[ . 1 . 2]" 1
88 1 13 GLY H 1 14 ASP HA . . 5.500 5.013 4.932 5.145 . 0 0 "[ . 1 . 2]" 1
89 1 13 GLY H 1 57 ALA HA . . 5.500 4.691 4.482 4.980 . 0 0 "[ . 1 . 2]" 1
90 1 44 LYS H 1 57 ALA HA . . 4.110 4.107 4.058 4.113 0.003 18 0 "[ . 1 . 2]" 1
91 1 60 ASP HA 1 61 TYR H . . 3.060 2.165 2.138 2.220 . 0 0 "[ . 1 . 2]" 1
92 1 11 LYS HA 1 61 TYR H . . 4.280 3.990 3.200 4.285 0.005 2 0 "[ . 1 . 2]" 1
93 1 10 MET H 1 11 LYS HA . . 5.300 5.059 4.809 5.293 . 0 0 "[ . 1 . 2]" 1
94 1 19 LEU H 1 29 VAL HA . . 3.390 2.067 1.981 2.117 . 0 0 "[ . 1 . 2]" 1
95 1 55 VAL HA 1 56 LEU H . . 3.000 2.143 2.140 2.163 . 0 0 "[ . 1 . 2]" 1
96 1 54 LEU HA 1 55 VAL H . . 2.930 2.367 2.286 2.429 . 0 0 "[ . 1 . 2]" 1
97 1 27 TRP HA 1 27 TRP HE1 . . 4.780 4.450 4.419 4.478 . 0 0 "[ . 1 . 2]" 1
98 1 27 TRP HA 1 38 VAL H . . 5.200 4.707 4.603 4.802 . 0 0 "[ . 1 . 2]" 1
99 1 29 VAL H 1 37 PHE HA . . 4.120 3.707 3.465 4.049 . 0 0 "[ . 1 . 2]" 1
100 1 26 TRP HA 1 27 TRP H . . 3.080 2.143 2.140 2.157 . 0 0 "[ . 1 . 2]" 1
101 1 15 ILE HA 1 16 LEU H . . 2.840 2.167 2.140 2.215 . 0 0 "[ . 1 . 2]" 1
102 1 56 LEU HA 1 57 ALA H . . 2.890 2.290 2.259 2.326 . 0 0 "[ . 1 . 2]" 1
103 1 44 LYS H 1 55 VAL HA . . 4.640 3.873 3.772 3.966 . 0 0 "[ . 1 . 2]" 1
104 1 29 VAL HA 1 30 GLU H . . 2.870 2.202 2.197 2.210 . 0 0 "[ . 1 . 2]" 1
105 1 30 GLU HA 1 31 VAL H . . 3.060 2.357 2.260 2.465 . 0 0 "[ . 1 . 2]" 1
106 1 43 VAL HA 1 44 LYS H . . 3.000 2.560 2.479 2.639 . 0 0 "[ . 1 . 2]" 1
107 1 18 LEU H 1 18 LEU HB3 . . 3.560 2.718 2.628 2.911 . 0 0 "[ . 1 . 2]" 1
108 1 10 MET HA 1 11 LYS H . . 3.020 2.172 2.140 2.230 . 0 0 "[ . 1 . 2]" 1
109 1 71 TYR HA 1 72 SER H . . 3.190 2.495 2.494 2.497 . 0 0 "[ . 1 . 2]" 1
110 1 17 THR H 1 54 LEU HA . . 5.060 5.037 4.948 5.063 0.003 3 0 "[ . 1 . 2]" 1
111 1 35 GLN HA 1 36 GLY H . . 2.990 2.414 2.162 2.714 . 0 0 "[ . 1 . 2]" 1
112 1 6 ARG H 1 7 GLU H . . 4.630 4.159 3.950 4.377 . 0 0 "[ . 1 . 2]" 1
113 1 3 MET H 1 4 GLY H . . 4.960 4.190 2.553 4.649 . 0 0 "[ . 1 . 2]" 1
114 1 63 GLU H 1 64 SER H . . 5.470 4.445 4.350 4.515 . 0 0 "[ . 1 . 2]" 1
115 1 46 LEU H 1 47 ASP H . . 4.780 4.458 4.401 4.546 . 0 0 "[ . 1 . 2]" 1
116 1 47 ASP H 1 48 SER H . . 5.060 4.197 4.031 4.362 . 0 0 "[ . 1 . 2]" 1
117 1 13 GLY H 1 14 ASP H . . 3.450 2.345 2.209 2.625 . 0 0 "[ . 1 . 2]" 1
118 1 14 ASP H 1 57 ALA H . . 4.410 2.479 2.090 3.092 . 0 0 "[ . 1 . 2]" 1
119 1 44 LYS H 1 56 LEU H . . 3.650 3.344 3.100 3.514 . 0 0 "[ . 1 . 2]" 1
120 1 17 THR H 1 30 GLU H . . 4.480 3.690 3.478 3.892 . 0 0 "[ . 1 . 2]" 1
121 1 18 LEU H 1 55 VAL H . . 3.940 3.890 3.705 3.944 0.004 16 0 "[ . 1 . 2]" 1
122 1 10 MET H 1 61 TYR H . . 4.100 2.851 2.416 3.217 . 0 0 "[ . 1 . 2]" 1
123 1 29 VAL H 1 36 GLY H . . 3.790 3.242 3.104 3.451 . 0 0 "[ . 1 . 2]" 1
124 1 16 LEU H 1 55 VAL H . . 3.830 3.071 2.641 3.440 . 0 0 "[ . 1 . 2]" 1
125 1 27 TRP H 1 38 VAL H . . 3.850 3.500 3.410 3.639 . 0 0 "[ . 1 . 2]" 1
126 1 45 LYS H 1 46 LEU H . . 4.850 4.626 4.595 4.646 . 0 0 "[ . 1 . 2]" 1
127 1 46 LEU H 1 56 LEU H . . 4.430 4.127 3.850 4.370 . 0 0 "[ . 1 . 2]" 1
128 1 53 GLU H 1 54 LEU H . . 4.140 3.891 3.744 4.142 0.002 6 0 "[ . 1 . 2]" 1
129 1 32 ASN H 1 33 ASP H . . 3.980 3.196 1.790 3.885 . 0 0 "[ . 1 . 2]" 1
130 1 27 TRP H 1 40 ALA H . . 4.350 2.738 2.557 2.922 . 0 0 "[ . 1 . 2]" 1
131 1 27 TRP H 1 37 PHE QD . . 5.240 5.021 4.857 5.160 . 0 0 "[ . 1 . 2]" 1
132 1 26 TRP HE3 1 27 TRP H . . 4.310 4.270 4.124 4.316 0.006 11 0 "[ . 1 . 2]" 1
133 1 28 LYS H 1 37 PHE QE . . 4.460 4.193 3.909 4.416 . 0 0 "[ . 1 . 2]" 1
134 1 40 ALA MB 1 41 ALA H . . 3.550 3.029 2.873 3.085 . 0 0 "[ . 1 . 2]" 1
135 1 40 ALA H 1 40 ALA MB . . 3.090 2.099 2.027 2.230 . 0 0 "[ . 1 . 2]" 1
136 1 25 ASP H 1 40 ALA MB . . 5.460 5.218 4.924 5.445 . 0 0 "[ . 1 . 2]" 1
137 1 26 TRP H 1 40 ALA MB . . 4.890 4.031 3.824 4.205 . 0 0 "[ . 1 . 2]" 1
138 1 42 TYR H 1 43 VAL MG2 . . 3.950 3.287 3.045 3.497 . 0 0 "[ . 1 . 2]" 1
139 1 39 PRO HG3 1 42 TYR H . . 4.890 4.641 4.509 4.773 . 0 0 "[ . 1 . 2]" 1
140 1 68 ALA H 1 68 ALA MB . . 3.180 2.138 2.050 2.219 . 0 0 "[ . 1 . 2]" 1
141 1 38 VAL MG2 1 40 ALA H . . 4.990 4.789 4.626 4.971 . 0 0 "[ . 1 . 2]" 1
142 1 8 VAL MG1 1 36 GLY H . . 4.510 2.787 1.926 3.556 . 0 0 "[ . 1 . 2]" 1
143 1 46 LEU H 1 46 LEU QD . . 3.830 3.373 3.000 3.515 . 0 0 "[ . 1 . 2]" 1
144 1 15 ILE H 1 15 ILE MD . . 3.770 3.468 2.783 3.769 . 0 0 "[ . 1 . 2]" 1
145 1 46 LEU H 1 55 VAL MG1 . . 3.890 3.579 3.337 3.744 . 0 0 "[ . 1 . 2]" 1
146 1 50 THR H 1 50 THR MG . . 3.640 2.126 1.881 2.906 . 0 0 "[ . 1 . 2]" 1
147 1 41 ALA H 1 41 ALA MB . . 3.050 2.048 2.026 2.099 . 0 0 "[ . 1 . 2]" 1
148 1 22 THR H 1 22 THR MG . . 3.510 2.047 1.822 2.592 . 0 0 "[ . 1 . 2]" 1
149 1 20 ASN HD21 1 22 THR MG . . 3.880 2.111 1.818 3.888 0.008 18 0 "[ . 1 . 2]" 1
150 1 41 ALA MB 1 42 TYR H . . 4.330 2.943 2.880 3.049 . 0 0 "[ . 1 . 2]" 1
151 1 17 THR H 1 17 THR MG . . 4.030 3.773 3.762 3.780 . 0 0 "[ . 1 . 2]" 1
152 1 28 LYS HG3 1 36 GLY H . . 4.400 4.123 3.613 4.403 0.003 12 0 "[ . 1 . 2]" 1
153 1 8 VAL MG2 1 36 GLY H . . 4.510 3.088 2.437 3.959 . 0 0 "[ . 1 . 2]" 1
154 1 50 THR MG 1 51 GLY H . . 4.640 2.282 1.757 3.992 . 0 0 "[ . 1 . 2]" 1
155 1 9 THR MG 1 63 GLU H . . 4.570 2.341 1.879 2.767 . 0 0 "[ . 1 . 2]" 1
156 1 9 THR H 1 9 THR MG . . 4.080 2.866 2.556 3.097 . 0 0 "[ . 1 . 2]" 1
157 1 37 PHE H 1 38 VAL MG1 . . 5.330 4.409 4.232 4.626 . 0 0 "[ . 1 . 2]" 1
158 1 2 ALA MB 1 3 MET H . . 3.750 2.961 1.877 3.628 . 0 0 "[ . 1 . 2]" 1
159 1 15 ILE H 1 15 ILE HG13 . . 3.780 2.446 2.201 2.792 . 0 0 "[ . 1 . 2]" 1
160 1 15 ILE H 1 15 ILE HB . . 3.180 2.604 2.545 2.685 . 0 0 "[ . 1 . 2]" 1
161 1 8 VAL HB 1 9 THR H . . 4.410 4.292 4.127 4.415 0.005 16 0 "[ . 1 . 2]" 1
162 1 8 VAL H 1 8 VAL HB . . 3.390 2.694 2.419 3.015 . 0 0 "[ . 1 . 2]" 1
163 1 54 LEU H 1 54 LEU HB3 . . 3.790 3.499 3.402 3.564 . 0 0 "[ . 1 . 2]" 1
164 1 54 LEU H 1 54 LEU HG . . 3.000 2.167 1.993 2.391 . 0 0 "[ . 1 . 2]" 1
165 1 45 LYS HB3 1 46 LEU H . . 3.860 3.099 2.876 3.378 . 0 0 "[ . 1 . 2]" 1
166 1 25 ASP H 1 25 ASP HB3 . . 3.990 3.635 3.533 3.687 . 0 0 "[ . 1 . 2]" 1
167 1 8 VAL H 1 63 GLU HB3 . . 3.910 2.391 2.190 2.605 . 0 0 "[ . 1 . 2]" 1
168 1 60 ASP H 1 60 ASP HB3 . . 3.630 2.809 2.215 3.630 0.000 18 0 "[ . 1 . 2]" 1
169 1 23 ASN HB3 1 26 TRP H . . 4.160 2.148 1.972 2.311 . 0 0 "[ . 1 . 2]" 1
170 1 39 PRO HA 1 41 ALA H . . 4.330 3.467 3.426 3.588 . 0 0 "[ . 1 . 2]" 1
171 1 48 SER H 1 48 SER HB3 . . 3.940 2.818 2.480 3.593 . 0 0 "[ . 1 . 2]" 1
172 1 8 VAL HA 1 9 THR H . . 3.010 2.151 2.139 2.183 . 0 0 "[ . 1 . 2]" 1
173 1 22 THR H 1 22 THR HB . . 3.790 2.753 2.569 3.616 . 0 0 "[ . 1 . 2]" 1
174 1 6 ARG HA 1 7 GLU H . . 3.180 2.179 2.144 2.198 . 0 0 "[ . 1 . 2]" 1
175 1 50 THR HB 1 51 GLY H . . 4.280 3.971 3.656 4.214 . 0 0 "[ . 1 . 2]" 1
176 1 2 ALA HA 1 3 MET H . . 3.150 2.314 2.147 2.720 . 0 0 "[ . 1 . 2]" 1
177 1 63 GLU HA 1 64 SER H . . 3.430 2.247 2.151 2.741 . 0 0 "[ . 1 . 2]" 1
178 1 49 GLY QA 1 50 THR H . . 3.160 2.597 2.395 2.894 . 0 0 "[ . 1 . 2]" 1
179 1 14 ASP HA 1 15 ILE H . . 2.780 2.258 2.197 2.363 . 0 0 "[ . 1 . 2]" 1
180 1 3 MET HA 1 4 GLY H . . 3.560 2.520 2.163 3.568 0.008 3 0 "[ . 1 . 2]" 1
181 1 5 PRO HA 1 6 ARG H . . 3.500 3.433 3.291 3.520 0.020 19 0 "[ . 1 . 2]" 1
182 1 53 GLU HA 1 54 LEU H . . 2.880 2.248 2.207 2.292 . 0 0 "[ . 1 . 2]" 1
183 1 34 ARG HA 1 35 GLN H . . 2.950 2.232 2.141 2.653 . 0 0 "[ . 1 . 2]" 1
184 1 59 TYR HA 1 60 ASP H . . 3.130 2.492 2.317 2.633 . 0 0 "[ . 1 . 2]" 1
185 1 64 SER HA 1 65 GLY H . . 3.230 2.211 2.151 2.337 . 0 0 "[ . 1 . 2]" 1
186 1 7 GLU HA 1 8 VAL H . . 3.080 2.162 2.138 2.390 . 0 0 "[ . 1 . 2]" 1
187 1 45 LYS HA 1 46 LEU H . . 2.870 2.256 2.191 2.318 . 0 0 "[ . 1 . 2]" 1
188 1 62 GLN HA 1 63 GLU H . . 3.190 2.144 2.139 2.183 . 0 0 "[ . 1 . 2]" 1
189 1 11 LYS HA 1 12 LYS H . . 3.030 2.169 2.140 2.215 . 0 0 "[ . 1 . 2]" 1
190 1 23 ASN HA 1 24 LYS H . . 2.900 2.199 2.138 2.312 . 0 0 "[ . 1 . 2]" 1
191 1 47 ASP HA 1 48 SER H . . 2.990 2.167 2.139 2.184 . 0 0 "[ . 1 . 2]" 1
192 1 67 ASN HA 1 68 ALA H . . 3.470 2.254 2.167 2.336 . 0 0 "[ . 1 . 2]" 1
193 1 20 ASN HA 1 22 THR H . . 3.840 3.365 3.265 3.468 . 0 0 "[ . 1 . 2]" 1
194 1 30 GLU HA 1 34 ARG H . . 5.500 5.427 5.127 5.528 0.028 6 0 "[ . 1 . 2]" 1
195 1 34 ARG H 1 35 GLN HA . . 5.500 5.116 4.901 5.278 . 0 0 "[ . 1 . 2]" 1
196 1 46 LEU H 1 55 VAL HA . . 3.460 3.171 2.864 3.377 . 0 0 "[ . 1 . 2]" 1
197 1 16 LEU HA 1 17 THR H . . 3.080 2.154 2.139 2.179 . 0 0 "[ . 1 . 2]" 1
198 1 12 LYS H 1 60 ASP HA . . 4.330 3.250 2.940 3.634 . 0 0 "[ . 1 . 2]" 1
199 1 7 GLU H 1 34 ARG HE . . 5.500 4.034 2.294 5.500 0.000 13 0 "[ . 1 . 2]" 1
200 1 34 ARG H 1 34 ARG HE . . 5.500 4.856 3.912 5.502 0.002 12 0 "[ . 1 . 2]" 1
201 1 52 LYS H 1 53 GLU H . . 4.620 4.542 4.463 4.624 0.004 6 0 "[ . 1 . 2]" 1
202 1 51 GLY H 1 52 LYS H . . 3.540 2.037 1.800 2.679 . 0 0 "[ . 1 . 2]" 1
203 1 25 ASP H 1 26 TRP H . . 3.240 2.396 2.251 2.614 . 0 0 "[ . 1 . 2]" 1
204 1 14 ASP H 1 15 ILE H . . 5.050 4.415 4.289 4.532 . 0 0 "[ . 1 . 2]" 1
205 1 48 SER H 1 49 GLY H . . 3.880 2.763 1.811 3.880 0.000 20 0 "[ . 1 . 2]" 1
206 1 24 LYS H 1 25 ASP H . . 3.970 2.523 2.259 2.746 . 0 0 "[ . 1 . 2]" 1
207 1 50 THR H 1 51 GLY H . . 3.650 2.444 1.801 2.956 . 0 0 "[ . 1 . 2]" 1
208 1 37 PHE H 1 67 ASN H . . 3.600 3.001 2.866 3.082 . 0 0 "[ . 1 . 2]" 1
209 1 31 VAL H 1 34 ARG H . . 3.860 3.475 3.001 3.883 0.023 18 0 "[ . 1 . 2]" 1
210 1 33 ASP H 1 34 ARG H . . 3.520 1.789 1.751 2.060 . 0 0 "[ . 1 . 2]" 1
211 1 49 GLY H 1 50 THR H . . 3.770 3.097 2.368 3.691 . 0 0 "[ . 1 . 2]" 1
212 1 22 THR H 1 23 ASN H . . 3.560 3.047 2.844 3.247 . 0 0 "[ . 1 . 2]" 1
213 1 60 ASP H 1 61 TYR H . . 4.780 4.492 4.359 4.588 . 0 0 "[ . 1 . 2]" 1
214 1 37 PHE H 1 38 VAL H . . 4.620 4.513 4.439 4.565 . 0 0 "[ . 1 . 2]" 1
215 1 21 SER H 1 22 THR H . . 3.350 2.615 2.415 2.782 . 0 0 "[ . 1 . 2]" 1
216 1 7 GLU H 1 8 VAL H . . 4.860 4.255 4.014 4.521 . 0 0 "[ . 1 . 2]" 1
217 1 23 ASN H 1 23 ASN HD21 . . 5.120 4.963 4.824 5.042 . 0 0 "[ . 1 . 2]" 1
218 1 15 ILE H 1 16 LEU H . . 4.770 4.349 4.047 4.552 . 0 0 "[ . 1 . 2]" 1
219 1 37 PHE QE 1 68 ALA MB . . 4.220 3.738 3.382 4.080 . 0 0 "[ . 1 . 2]" 1
220 1 43 VAL H 1 43 VAL MG2 . . 3.110 2.104 1.875 2.249 . 0 0 "[ . 1 . 2]" 1
221 1 18 LEU MD2 1 27 TRP HE3 . . 4.450 2.485 2.230 2.862 . 0 0 "[ . 1 . 2]" 1
222 1 39 PRO HG3 1 61 TYR QE . . 4.380 2.409 2.179 2.635 . 0 0 "[ . 1 . 2]" 1
223 1 26 TRP HE3 1 38 VAL MG2 . . 4.520 4.168 4.083 4.291 . 0 0 "[ . 1 . 2]" 1
224 1 43 VAL MG1 1 59 TYR H . . 5.120 4.186 3.960 4.346 . 0 0 "[ . 1 . 2]" 1
225 1 27 TRP HE3 1 55 VAL MG1 . . 3.520 2.135 1.973 2.384 . 0 0 "[ . 1 . 2]" 1
226 1 38 VAL MG1 1 61 TYR QD . . 3.350 2.535 2.303 2.771 . 0 0 "[ . 1 . 2]" 1
227 1 38 VAL MG1 1 61 TYR QE . . 3.760 2.769 2.370 3.085 . 0 0 "[ . 1 . 2]" 1
228 1 19 LEU HB3 1 20 ASN H . . 3.610 2.016 1.990 2.033 . 0 0 "[ . 1 . 2]" 1
229 1 41 ALA MB 1 43 VAL H . . 5.010 4.349 4.282 4.423 . 0 0 "[ . 1 . 2]" 1
230 1 43 VAL H 1 58 LEU HG . . 5.200 3.866 3.373 4.377 . 0 0 "[ . 1 . 2]" 1
231 1 20 ASN HD22 1 22 THR MG . . 4.280 3.078 2.222 3.575 . 0 0 "[ . 1 . 2]" 1
232 1 28 LYS HB3 1 37 PHE QE . . 4.970 4.751 4.478 4.928 . 0 0 "[ . 1 . 2]" 1
233 1 57 ALA MB 1 59 TYR H . . 3.870 3.639 3.417 3.871 0.001 11 0 "[ . 1 . 2]" 1
234 1 38 VAL HB 1 61 TYR QD . . 4.370 4.132 4.001 4.254 . 0 0 "[ . 1 . 2]" 1
235 1 61 TYR QD 1 63 GLU HB3 . . 5.500 4.762 4.545 4.967 . 0 0 "[ . 1 . 2]" 1
236 1 61 TYR QE 1 74 PRO HG3 . . 3.910 2.070 1.998 2.554 . 0 0 "[ . 1 . 2]" 1
237 1 61 TYR QE 1 63 GLU HB3 . . 4.410 3.494 3.442 3.580 . 0 0 "[ . 1 . 2]" 1
238 1 38 VAL HB 1 61 TYR QE . . 4.820 4.552 4.427 4.641 . 0 0 "[ . 1 . 2]" 1
239 1 40 ALA HA 1 43 VAL H . . 4.180 3.198 3.121 3.378 . 0 0 "[ . 1 . 2]" 1
240 1 27 TRP HE3 1 40 ALA HA . . 4.270 4.200 3.935 4.285 0.015 16 0 "[ . 1 . 2]" 1
241 1 27 TRP HB3 1 27 TRP HE3 . . 3.650 2.719 2.683 2.769 . 0 0 "[ . 1 . 2]" 1
242 1 37 PHE QD 1 68 ALA HA . . 4.130 3.004 2.563 3.452 . 0 0 "[ . 1 . 2]" 1
243 1 42 TYR HB3 1 43 VAL H . . 4.680 4.084 4.055 4.215 . 0 0 "[ . 1 . 2]" 1
244 1 61 TYR HB3 1 62 GLN H . . 3.910 3.568 3.430 3.869 . 0 0 "[ . 1 . 2]" 1
245 1 42 TYR QD 1 59 TYR HB3 . . 4.120 3.538 3.417 3.620 . 0 0 "[ . 1 . 2]" 1
246 1 42 TYR QE 1 59 TYR HB3 . . 4.270 3.827 3.727 3.934 . 0 0 "[ . 1 . 2]" 1
247 1 42 TYR HB3 1 59 TYR H . . 3.950 3.002 2.867 3.139 . 0 0 "[ . 1 . 2]" 1
248 1 12 LYS HA 1 59 TYR H . . 4.530 4.316 4.142 4.457 . 0 0 "[ . 1 . 2]" 1
249 1 59 TYR QE 1 77 PRO HD3 . . 5.190 4.626 4.458 4.848 . 0 0 "[ . 1 . 2]" 1
250 1 21 SER HA 1 27 TRP HD1 . . 3.600 3.060 2.895 3.174 . 0 0 "[ . 1 . 2]" 1
251 1 26 TRP HH2 1 74 PRO HD3 . . 4.130 2.350 2.232 2.526 . 0 0 "[ . 1 . 2]" 1
252 1 26 TRP HZ2 1 74 PRO HD3 . . 4.610 2.817 2.633 3.003 . 0 0 "[ . 1 . 2]" 1
253 1 26 TRP HE3 1 39 PRO HA . . 3.960 3.687 3.565 3.795 . 0 0 "[ . 1 . 2]" 1
254 1 42 TYR QE 1 76 PRO HA . . 3.640 3.053 3.000 3.136 . 0 0 "[ . 1 . 2]" 1
255 1 26 TRP HZ3 1 74 PRO HD3 . . 4.420 4.275 4.117 4.421 0.001 3 0 "[ . 1 . 2]" 1
256 1 71 TYR QE 1 74 PRO HD3 . . 4.520 3.905 3.702 3.988 . 0 0 "[ . 1 . 2]" 1
257 1 69 PRO HA 1 71 TYR QE . . 4.370 3.862 3.303 4.051 . 0 0 "[ . 1 . 2]" 1
258 1 36 GLY QA 1 37 PHE QE . . 5.010 4.787 4.527 5.012 0.002 18 0 "[ . 1 . 2]" 1
259 1 61 TYR QD 1 63 GLU HA . . 4.610 4.308 4.162 4.496 . 0 0 "[ . 1 . 2]" 1
260 1 24 LYS HA 1 27 TRP HD1 . . 3.940 3.786 2.959 3.941 0.001 15 0 "[ . 1 . 2]" 1
261 1 20 ASN HD22 1 22 THR HB . . 5.100 3.315 2.731 5.103 0.003 12 0 "[ . 1 . 2]" 1
262 1 28 LYS HA 1 37 PHE QE . . 5.310 4.992 4.819 5.265 . 0 0 "[ . 1 . 2]" 1
263 1 27 TRP HZ3 1 55 VAL MG1 . . 3.370 2.226 2.106 2.291 . 0 0 "[ . 1 . 2]" 1
264 1 26 TRP HZ3 1 38 VAL MG1 . . 4.580 3.655 3.373 3.852 . 0 0 "[ . 1 . 2]" 1
265 1 18 LEU MD2 1 27 TRP HZ3 . . 4.350 3.263 2.835 3.762 . 0 0 "[ . 1 . 2]" 1
266 1 39 PRO HG3 1 42 TYR QE . . 3.780 3.712 3.564 3.782 0.002 4 0 "[ . 1 . 2]" 1
267 1 39 PRO HG3 1 42 TYR QD . . 3.980 3.586 3.453 3.698 . 0 0 "[ . 1 . 2]" 1
268 1 42 TYR QD 1 43 VAL MG1 . . 5.260 4.878 4.754 5.057 . 0 0 "[ . 1 . 2]" 1
269 1 58 LEU HB3 1 59 TYR H . . 4.070 3.900 3.668 4.062 . 0 0 "[ . 1 . 2]" 1
270 1 41 ALA MB 1 42 TYR QD . . 3.320 2.311 2.192 2.448 . 0 0 "[ . 1 . 2]" 1
271 1 41 ALA MB 1 42 TYR QE . . 3.990 3.074 2.974 3.173 . 0 0 "[ . 1 . 2]" 1
272 1 27 TRP HZ3 1 45 LYS HG3 . . 4.160 2.141 1.999 2.450 . 0 0 "[ . 1 . 2]" 1
273 1 59 TYR QD 1 76 PRO HB3 . . 4.870 2.301 2.180 2.445 . 0 0 "[ . 1 . 2]" 1
274 1 41 ALA MB 1 59 TYR QD . . 4.970 3.591 3.478 3.684 . 0 0 "[ . 1 . 2]" 1
275 1 26 TRP HZ3 1 39 PRO HD3 . . 3.890 2.053 1.972 2.122 . 0 0 "[ . 1 . 2]" 1
276 1 27 TRP HZ3 1 45 LYS HB3 . . 4.990 4.489 4.230 4.696 . 0 0 "[ . 1 . 2]" 1
277 1 27 TRP HZ3 1 55 VAL HB . . 5.340 4.544 4.359 4.703 . 0 0 "[ . 1 . 2]" 1
278 1 26 TRP HH2 1 73 PRO HA . . 3.970 3.354 3.199 3.527 . 0 0 "[ . 1 . 2]" 1
279 1 26 TRP HZ2 1 73 PRO HA . . 3.470 2.042 1.999 2.167 . 0 0 "[ . 1 . 2]" 1
280 1 57 ALA HA 1 59 TYR H . . 4.200 3.760 3.655 3.938 . 0 0 "[ . 1 . 2]" 1
281 1 71 TYR QE 1 73 PRO HA . . 4.610 4.199 3.978 4.386 . 0 0 "[ . 1 . 2]" 1
282 1 27 TRP HZ3 1 45 LYS HA . . 4.440 3.563 3.337 3.791 . 0 0 "[ . 1 . 2]" 1
283 1 42 TYR HA 1 59 TYR QD . . 3.080 2.074 1.998 2.156 . 0 0 "[ . 1 . 2]" 1
284 1 59 TYR HA 1 59 TYR QD . . 3.510 2.319 2.237 2.382 . 0 0 "[ . 1 . 2]" 1
285 1 9 THR HA 1 62 GLN HE22 . . 5.070 4.779 4.404 5.074 0.004 2 0 "[ . 1 . 2]" 1
286 1 42 TYR HA 1 42 TYR QE . . 5.390 4.568 4.545 4.597 . 0 0 "[ . 1 . 2]" 1
287 1 42 TYR QE 1 61 TYR HA . . 3.750 3.489 3.280 3.651 . 0 0 "[ . 1 . 2]" 1
288 1 62 GLN HA 1 62 GLN HE22 . . 4.590 3.629 3.449 3.790 . 0 0 "[ . 1 . 2]" 1
289 1 42 TYR HA 1 42 TYR QD . . 3.520 2.907 2.860 2.962 . 0 0 "[ . 1 . 2]" 1
290 1 42 TYR QD 1 61 TYR HA . . 4.110 3.512 3.261 3.698 . 0 0 "[ . 1 . 2]" 1
291 1 38 VAL HA 1 61 TYR QE . . 3.750 3.689 3.577 3.752 0.002 14 0 "[ . 1 . 2]" 1
292 1 26 TRP HE3 1 38 VAL HA . . 4.160 2.313 2.180 2.487 . 0 0 "[ . 1 . 2]" 1
293 1 37 PHE QD 1 66 ASP HA . . 4.410 4.013 3.590 4.330 . 0 0 "[ . 1 . 2]" 1
294 1 26 TRP HZ3 1 38 VAL HA . . 3.720 2.285 2.152 2.436 . 0 0 "[ . 1 . 2]" 1
295 1 38 VAL HA 1 61 TYR QD . . 4.660 4.443 4.326 4.598 . 0 0 "[ . 1 . 2]" 1
296 1 71 TYR HA 1 71 TYR QD . . 4.070 3.670 3.652 3.731 . 0 0 "[ . 1 . 2]" 1
297 1 26 TRP HA 1 26 TRP HE3 . . 3.580 3.519 3.349 3.592 0.012 18 0 "[ . 1 . 2]" 1
298 1 26 TRP HA 1 37 PHE QD . . 5.090 5.069 4.999 5.094 0.004 18 0 "[ . 1 . 2]" 1
299 1 27 TRP HA 1 27 TRP HD1 . . 3.050 2.111 2.032 2.176 . 0 0 "[ . 1 . 2]" 1
300 1 37 PHE HA 1 37 PHE QD . . 3.610 2.880 2.574 3.033 . 0 0 "[ . 1 . 2]" 1
301 1 61 TYR QD 1 62 GLN H . . 4.110 2.487 2.428 2.599 . 0 0 "[ . 1 . 2]" 1
302 1 26 TRP HZ3 1 61 TYR QE . . 3.910 2.971 2.573 3.194 . 0 0 "[ . 1 . 2]" 1
303 1 58 LEU MD1 1 59 TYR QE . . 3.740 3.531 3.447 3.669 . 0 0 "[ . 1 . 2]" 1
304 1 18 LEU MD1 1 27 TRP HZ3 . . 4.350 4.132 3.629 4.360 0.010 18 0 "[ . 1 . 2]" 1
305 1 58 LEU HB3 1 59 TYR QE . . 4.010 3.146 2.863 3.501 . 0 0 "[ . 1 . 2]" 1
306 1 41 ALA MB 1 59 TYR QE . . 4.410 2.971 2.688 3.247 . 0 0 "[ . 1 . 2]" 1
307 1 59 TYR QE 1 76 PRO HB3 . . 4.400 2.057 1.998 2.209 . 0 0 "[ . 1 . 2]" 1
308 1 42 TYR QE 1 76 PRO HG3 . . 4.570 4.380 4.256 4.416 . 0 0 "[ . 1 . 2]" 1
309 1 42 TYR QD 1 76 PRO HG3 . . 5.000 5.000 4.971 5.003 0.003 10 0 "[ . 1 . 2]" 1
310 1 42 TYR HB3 1 59 TYR QE . . 5.500 5.503 5.499 5.509 0.009 20 0 "[ . 1 . 2]" 1
311 1 58 LEU HA 1 59 TYR QE . . 5.340 4.783 4.668 4.910 . 0 0 "[ . 1 . 2]" 1
312 1 59 TYR QE 1 76 PRO HA . . 5.500 4.179 4.102 4.329 . 0 0 "[ . 1 . 2]" 1
313 1 42 TYR HA 1 59 TYR QE . . 3.510 3.275 3.247 3.306 . 0 0 "[ . 1 . 2]" 1
314 1 37 PHE QE 1 68 ALA H . . 4.810 4.706 4.023 4.817 0.007 6 0 "[ . 1 . 2]" 1
315 1 23 ASN HD22 1 26 TRP HD1 . . 4.560 3.874 3.323 4.200 . 0 0 "[ . 1 . 2]" 1
316 1 26 TRP HZ2 1 71 TYR QE . . 4.340 2.319 2.085 2.516 . 0 0 "[ . 1 . 2]" 1
317 1 59 TYR H 1 59 TYR QD . . 4.040 3.371 3.292 3.461 . 0 0 "[ . 1 . 2]" 1
318 1 42 TYR QE 1 61 TYR QD . . 3.730 3.509 3.406 3.631 . 0 0 "[ . 1 . 2]" 1
319 1 26 TRP HH2 1 71 TYR QE . . 4.370 2.332 2.204 2.882 . 0 0 "[ . 1 . 2]" 1
320 1 42 TYR QD 1 61 TYR QD . . 4.250 3.379 3.283 3.440 . 0 0 "[ . 1 . 2]" 1
321 1 42 TYR QD 1 59 TYR QD . . 4.270 2.821 2.727 2.900 . 0 0 "[ . 1 . 2]" 1
322 1 42 TYR QD 1 59 TYR QE . . 5.220 3.915 3.757 4.051 . 0 0 "[ . 1 . 2]" 1
323 1 59 TYR H 1 59 TYR QE . . 5.040 4.710 4.612 4.828 . 0 0 "[ . 1 . 2]" 1
324 1 42 TYR H 1 42 TYR QD . . 3.660 2.209 2.131 2.301 . 0 0 "[ . 1 . 2]" 1
325 1 26 TRP H 1 26 TRP HD1 . . 4.180 3.350 3.154 3.463 . 0 0 "[ . 1 . 2]" 1
326 1 40 ALA H 1 41 ALA H . . 3.800 2.742 2.723 2.753 . 0 0 "[ . 1 . 2]" 1
327 1 62 GLN H 1 63 GLU H . . 4.580 4.079 3.890 4.338 . 0 0 "[ . 1 . 2]" 1
328 1 41 ALA H 1 42 TYR H . . 3.930 2.569 2.525 2.624 . 0 0 "[ . 1 . 2]" 1
329 1 50 THR H 1 52 LYS H . . 4.600 4.042 3.295 4.600 . 0 0 "[ . 1 . 2]" 1
330 1 27 TRP HD1 1 28 LYS H . . 4.360 4.106 3.984 4.207 . 0 0 "[ . 1 . 2]" 1
331 1 23 ASN H 1 27 TRP HD1 . . 4.500 4.238 4.136 4.426 . 0 0 "[ . 1 . 2]" 1
332 1 61 TYR H 1 62 GLN H . . 4.570 4.438 4.362 4.496 . 0 0 "[ . 1 . 2]" 1
333 1 71 TYR QD 1 72 SER H . . 4.210 3.483 3.390 3.554 . 0 0 "[ . 1 . 2]" 1
334 1 37 PHE H 1 37 PHE QD . . 3.660 2.596 2.330 3.000 . 0 0 "[ . 1 . 2]" 1
335 1 28 LYS H 1 37 PHE QD . . 4.440 3.650 3.216 3.927 . 0 0 "[ . 1 . 2]" 1
336 1 25 ASP H 1 26 TRP HD1 . . 4.570 3.752 3.589 4.473 . 0 0 "[ . 1 . 2]" 1
337 1 58 LEU H 1 59 TYR H . . 3.150 2.502 2.393 2.677 . 0 0 "[ . 1 . 2]" 1
338 1 27 TRP H 1 27 TRP HD1 . . 4.330 3.730 3.570 3.860 . 0 0 "[ . 1 . 2]" 1
339 1 70 SER H 1 71 TYR H . . 3.720 2.610 2.207 3.791 0.071 20 0 "[ . 1 . 2]" 1
340 1 41 ALA H 1 42 TYR QD . . 4.570 3.582 3.481 3.685 . 0 0 "[ . 1 . 2]" 1
341 1 61 TYR H 1 61 TYR QD . . 4.640 4.273 4.198 4.312 . 0 0 "[ . 1 . 2]" 1
342 1 61 TYR QE 1 64 SER H . . 4.940 4.588 4.394 4.792 . 0 0 "[ . 1 . 2]" 1
343 1 59 TYR QD 1 60 ASP H . . 4.420 4.235 4.149 4.287 . 0 0 "[ . 1 . 2]" 1
344 1 29 VAL MG2 1 37 PHE HA . . 5.500 4.661 4.433 4.935 . 0 0 "[ . 1 . 2]" 1
345 1 37 PHE HA 1 38 VAL MG2 . . 4.040 3.344 3.263 3.435 . 0 0 "[ . 1 . 2]" 1
346 1 37 PHE HA 1 38 VAL MG1 . . 4.540 4.102 3.986 4.273 . 0 0 "[ . 1 . 2]" 1
347 1 28 LYS HA 1 37 PHE HA . . 3.230 2.218 2.089 2.378 . 0 0 "[ . 1 . 2]" 1
348 1 37 PHE HA 1 38 VAL H . . 2.930 2.163 2.143 2.201 . 0 0 "[ . 1 . 2]" 1
349 1 43 VAL HA 1 58 LEU H . . 3.460 2.157 1.900 2.293 . 0 0 "[ . 1 . 2]" 1
350 1 27 TRP HA 1 28 LYS H . . 3.280 2.147 2.140 2.156 . 0 0 "[ . 1 . 2]" 1
351 1 18 LEU H 1 54 LEU HA . . 3.820 2.262 1.929 2.470 . 0 0 "[ . 1 . 2]" 1
352 1 43 VAL HA 1 57 ALA HA . . 3.430 2.385 2.301 2.469 . 0 0 "[ . 1 . 2]" 1
353 1 17 THR HA 1 54 LEU HA . . 3.430 2.908 2.814 3.024 . 0 0 "[ . 1 . 2]" 1
354 1 43 VAL HA 1 55 VAL HB . . 4.780 4.506 4.376 4.655 . 0 0 "[ . 1 . 2]" 1
355 1 43 VAL HA 1 58 LEU HG . . 3.460 2.335 2.044 2.622 . 0 0 "[ . 1 . 2]" 1
356 1 43 VAL HA 1 43 VAL MG1 . . 3.170 2.247 2.078 2.356 . 0 0 "[ . 1 . 2]" 1
357 1 43 VAL HA 1 58 LEU MD1 . . 4.140 3.588 3.444 3.704 . 0 0 "[ . 1 . 2]" 1
358 1 43 VAL HA 1 58 LEU MD2 . . 4.560 3.470 2.754 4.092 . 0 0 "[ . 1 . 2]" 1
359 1 31 VAL MG2 1 35 GLN HA . . 5.500 3.634 3.151 3.918 . 0 0 "[ . 1 . 2]" 1
360 1 30 GLU HA 1 31 VAL MG1 . . 5.500 5.187 4.462 5.436 . 0 0 "[ . 1 . 2]" 1
361 1 31 VAL MG1 1 35 GLN HA . . 5.500 5.468 5.199 5.528 0.028 9 0 "[ . 1 . 2]" 1
362 1 15 ILE MG 1 54 LEU HA . . 3.650 3.652 3.650 3.654 0.004 17 0 "[ . 1 . 2]" 1
363 1 46 LEU QD 1 56 LEU HA . . 4.040 2.811 2.610 2.928 . 0 0 "[ . 1 . 2]" 1
364 1 17 THR MG 1 54 LEU HA . . 4.890 4.271 4.155 4.412 . 0 0 "[ . 1 . 2]" 1
365 1 18 LEU HG 1 54 LEU HA . . 5.500 4.687 4.430 4.931 . 0 0 "[ . 1 . 2]" 1
366 1 17 THR MG 1 29 VAL HA . . 4.830 4.456 4.283 4.615 . 0 0 "[ . 1 . 2]" 1
367 1 45 LYS HA 1 55 VAL HA . . 3.620 2.399 2.154 2.553 . 0 0 "[ . 1 . 2]" 1
368 1 18 LEU HA 1 29 VAL HA . . 3.670 3.662 3.590 3.692 0.022 4 0 "[ . 1 . 2]" 1
369 1 8 VAL MG2 1 36 GLY QA . . 4.650 4.018 3.602 4.547 . 0 0 "[ . 1 . 2]" 1
370 1 8 VAL HA 1 8 VAL MG2 . . 3.740 2.238 2.084 2.465 . 0 0 "[ . 1 . 2]" 1
371 1 8 VAL HA 1 8 VAL MG1 . . 3.740 3.182 3.159 3.201 . 0 0 "[ . 1 . 2]" 1
372 1 25 ASP HB3 1 26 TRP HD1 . . 3.910 3.051 2.790 3.431 . 0 0 "[ . 1 . 2]" 1
373 1 58 LEU HA 1 58 LEU MD1 . . 4.320 3.931 3.876 3.980 . 0 0 "[ . 1 . 2]" 1
374 1 58 LEU HA 1 58 LEU MD2 . . 2.950 2.212 2.030 2.466 . 0 0 "[ . 1 . 2]" 1
375 1 18 LEU MD1 1 21 SER HA . . 5.250 4.642 4.276 5.254 0.004 10 0 "[ . 1 . 2]" 1
376 1 18 LEU MD2 1 21 SER HA . . 5.250 3.940 3.714 4.177 . 0 0 "[ . 1 . 2]" 1
377 1 58 LEU HA 1 58 LEU HG . . 3.880 3.383 3.194 3.572 . 0 0 "[ . 1 . 2]" 1
378 1 41 ALA MB 1 76 PRO HD3 . . 3.680 3.207 3.098 3.327 . 0 0 "[ . 1 . 2]" 1
379 1 76 PRO HA 1 77 PRO HD3 . . 3.210 2.387 2.383 2.388 . 0 0 "[ . 1 . 2]" 1
380 1 75 PRO HA 1 76 PRO HD3 . . 2.970 2.322 2.317 2.328 . 0 0 "[ . 1 . 2]" 1
381 1 73 PRO HA 1 74 PRO HD3 . . 3.260 2.269 2.263 2.294 . 0 0 "[ . 1 . 2]" 1
382 1 9 THR HB 1 62 GLN HA . . 4.210 3.052 2.679 3.391 . 0 0 "[ . 1 . 2]" 1
383 1 74 PRO HA 1 75 PRO HD3 . . 3.400 2.275 2.268 2.286 . 0 0 "[ . 1 . 2]" 1
384 1 72 SER HA 1 73 PRO HD3 . . 3.440 2.301 2.261 2.354 . 0 0 "[ . 1 . 2]" 1
385 1 26 TRP HA 1 39 PRO HA . . 3.580 2.382 2.211 2.540 . 0 0 "[ . 1 . 2]" 1
386 1 36 GLY QA 1 66 ASP HA . . 4.180 2.280 2.029 2.452 . 0 0 "[ . 1 . 2]" 1
387 1 21 SER HA 1 27 TRP HA . . 3.900 2.260 2.095 2.427 . 0 0 "[ . 1 . 2]" 1
388 1 61 TYR QE 1 74 PRO HD3 . . 3.920 3.051 2.973 3.215 . 0 0 "[ . 1 . 2]" 1
389 1 39 PRO HA 1 40 ALA H . . 2.950 2.158 2.154 2.165 . 0 0 "[ . 1 . 2]" 1
390 1 41 ALA HA 1 43 VAL H . . 4.060 3.845 3.683 3.906 . 0 0 "[ . 1 . 2]" 1
391 1 69 PRO HA 1 70 SER H . . 3.530 2.605 2.277 3.573 0.043 20 0 "[ . 1 . 2]" 1
392 1 70 SER H 1 70 SER HB3 . . 3.920 3.244 2.526 3.891 . 0 0 "[ . 1 . 2]" 1
393 1 9 THR H 1 9 THR HB . . 4.190 3.827 3.779 3.858 . 0 0 "[ . 1 . 2]" 1
394 1 21 SER HA 1 27 TRP HE1 . . 4.380 4.401 4.370 4.421 0.041 18 0 "[ . 1 . 2]" 1
395 1 27 TRP HB3 1 29 VAL MG1 . . 3.330 2.987 2.902 3.062 . 0 0 "[ . 1 . 2]" 1
396 1 27 TRP HB3 1 55 VAL MG2 . . 5.440 3.921 3.843 4.016 . 0 0 "[ . 1 . 2]" 1
397 1 18 LEU MD1 1 21 SER HB3 . . 3.910 2.893 2.458 3.598 . 0 0 "[ . 1 . 2]" 1
398 1 12 LYS HA 1 12 LYS HG3 . . 3.940 2.183 2.102 2.244 . 0 0 "[ . 1 . 2]" 1
399 1 26 TRP HB3 1 69 PRO HB3 . . 3.960 2.911 2.679 3.161 . 0 0 "[ . 1 . 2]" 1
400 1 12 LYS HA 1 57 ALA MB . . 3.700 2.760 2.497 3.077 . 0 0 "[ . 1 . 2]" 1
401 1 26 TRP HB3 1 37 PHE QD . . 3.740 2.967 2.840 3.167 . 0 0 "[ . 1 . 2]" 1
402 1 21 SER HB3 1 27 TRP HD1 . . 5.050 3.997 3.076 4.667 . 0 0 "[ . 1 . 2]" 1
403 1 27 TRP HB3 1 27 TRP HD1 . . 3.850 3.741 3.714 3.758 . 0 0 "[ . 1 . 2]" 1
404 1 42 TYR H 1 42 TYR HB3 . . 3.890 3.596 3.583 3.609 . 0 0 "[ . 1 . 2]" 1
405 1 40 ALA HA 1 43 VAL MG2 . . 3.340 1.848 1.810 1.952 . 0 0 "[ . 1 . 2]" 1
406 1 10 MET HB3 1 16 LEU MD1 . . 4.170 2.439 1.976 3.117 . 0 0 "[ . 1 . 2]" 1
407 1 10 MET HG3 1 57 ALA MB . . 4.640 4.164 2.426 4.584 . 0 0 "[ . 1 . 2]" 1
408 1 16 LEU HG 1 29 VAL HB . . 4.870 4.797 4.723 4.851 . 0 0 "[ . 1 . 2]" 1
409 1 38 VAL HB 1 39 PRO HD3 . . 3.510 3.442 3.431 3.448 . 0 0 "[ . 1 . 2]" 1
410 1 8 VAL HA 1 34 ARG HB3 . . 3.910 3.551 2.490 3.919 0.009 16 0 "[ . 1 . 2]" 1
411 1 63 GLU HA 1 63 GLU HG3 . . 3.840 3.566 3.538 3.609 . 0 0 "[ . 1 . 2]" 1
412 1 16 LEU HA 1 29 VAL HB . . 4.440 4.416 4.312 4.451 0.011 17 0 "[ . 1 . 2]" 1
413 1 9 THR HA 1 63 GLU HB3 . . 5.500 5.254 4.939 5.502 0.002 14 0 "[ . 1 . 2]" 1
414 1 34 ARG HA 1 35 GLN HG3 . . 4.480 3.509 2.988 4.034 . 0 0 "[ . 1 . 2]" 1
415 1 29 VAL HA 1 29 VAL HB . . 3.000 2.419 2.389 2.448 . 0 0 "[ . 1 . 2]" 1
416 1 30 GLU HA 1 35 GLN HB3 . . 3.340 2.060 1.998 2.265 . 0 0 "[ . 1 . 2]" 1
417 1 59 TYR QD 1 77 PRO HG3 . . 4.340 2.996 2.632 3.320 . 0 0 "[ . 1 . 2]" 1
418 1 26 TRP HH2 1 39 PRO HD3 . . 3.730 3.278 3.176 3.477 . 0 0 "[ . 1 . 2]" 1
419 1 20 ASN H 1 20 ASN HB3 . . 3.880 3.331 3.251 3.354 . 0 0 "[ . 1 . 2]" 1
420 1 7 GLU H 1 7 GLU HB3 . . 3.850 3.399 2.914 3.807 . 0 0 "[ . 1 . 2]" 1
421 1 63 GLU H 1 63 GLU HB3 . . 3.790 3.093 2.996 3.180 . 0 0 "[ . 1 . 2]" 1
422 1 31 VAL H 1 35 GLN HB3 . . 3.890 3.773 3.539 3.897 0.007 15 0 "[ . 1 . 2]" 1
423 1 53 GLU H 1 53 GLU HG3 . . 3.990 2.979 2.359 3.911 . 0 0 "[ . 1 . 2]" 1
424 1 43 VAL HB 1 56 LEU H . . 4.670 4.593 4.419 4.671 0.001 9 0 "[ . 1 . 2]" 1
425 1 16 LEU HB3 1 29 VAL HB . . 3.510 2.726 2.613 2.808 . 0 0 "[ . 1 . 2]" 1
426 1 22 THR HA 1 22 THR MG . . 3.230 3.080 2.172 3.194 . 0 0 "[ . 1 . 2]" 1
427 1 50 THR HA 1 50 THR MG . . 3.590 3.068 2.300 3.207 . 0 0 "[ . 1 . 2]" 1
428 1 14 ASP HA 1 15 ILE HB . . 5.200 4.723 4.596 4.811 . 0 0 "[ . 1 . 2]" 1
429 1 17 THR HA 1 18 LEU HB3 . . 5.500 4.838 4.747 5.005 . 0 0 "[ . 1 . 2]" 1
430 1 39 PRO HB3 1 73 PRO HA . . 3.880 2.963 2.808 3.140 . 0 0 "[ . 1 . 2]" 1
431 1 20 ASN HA 1 22 THR MG . . 4.280 4.202 3.444 4.289 0.009 12 0 "[ . 1 . 2]" 1
432 1 17 THR HA 1 17 THR MG . . 3.330 2.435 2.353 2.495 . 0 0 "[ . 1 . 2]" 1
433 1 44 LYS HA 1 44 LYS HG3 . . 4.080 2.986 2.172 3.666 . 0 0 "[ . 1 . 2]" 1
434 1 16 LEU HA 1 16 LEU HG . . 3.450 2.887 2.857 2.923 . 0 0 "[ . 1 . 2]" 1
435 1 9 THR HA 1 9 THR MG . . 3.480 2.349 2.255 2.515 . 0 0 "[ . 1 . 2]" 1
436 1 56 LEU HA 1 56 LEU HG . . 3.840 3.201 2.491 3.743 . 0 0 "[ . 1 . 2]" 1
437 1 56 LEU HA 1 57 ALA MB . . 4.160 3.933 3.880 3.982 . 0 0 "[ . 1 . 2]" 1
438 1 46 LEU HG 1 55 VAL HA . . 3.650 2.841 2.553 3.182 . 0 0 "[ . 1 . 2]" 1
439 1 55 VAL HA 1 55 VAL MG1 . . 3.230 2.164 2.111 2.201 . 0 0 "[ . 1 . 2]" 1
440 1 46 LEU HG 1 56 LEU HA . . 4.600 4.265 3.957 4.445 . 0 0 "[ . 1 . 2]" 1
441 1 15 ILE HA 1 15 ILE HG13 . . 3.840 2.867 2.624 3.043 . 0 0 "[ . 1 . 2]" 1
442 1 54 LEU HA 1 54 LEU HG . . 3.810 3.550 3.421 3.664 . 0 0 "[ . 1 . 2]" 1
443 1 43 VAL HA 1 57 ALA MB . . 4.330 4.002 3.916 4.070 . 0 0 "[ . 1 . 2]" 1
444 1 19 LEU HB3 1 29 VAL HA . . 4.000 3.764 3.750 3.827 . 0 0 "[ . 1 . 2]" 1
445 1 20 ASN H 1 28 LYS HB3 . . 3.690 2.902 2.850 2.928 . 0 0 "[ . 1 . 2]" 1
446 1 52 LYS H 1 52 LYS HB3 . . 3.890 3.631 3.537 3.779 . 0 0 "[ . 1 . 2]" 1
447 1 39 PRO HB3 1 40 ALA H . . 4.640 4.163 4.125 4.193 . 0 0 "[ . 1 . 2]" 1
448 1 40 ALA H 1 41 ALA MB . . 5.020 4.296 4.271 4.328 . 0 0 "[ . 1 . 2]" 1
449 1 34 ARG H 1 34 ARG HG3 . . 4.110 2.067 1.897 2.465 . 0 0 "[ . 1 . 2]" 1
450 1 46 LEU H 1 46 LEU HG . . 3.530 2.815 2.636 3.034 . 0 0 "[ . 1 . 2]" 1
451 1 46 LEU H 1 46 LEU HB3 . . 3.970 3.727 3.650 3.814 . 0 0 "[ . 1 . 2]" 1
452 1 34 ARG H 1 34 ARG HB3 . . 3.900 3.687 3.446 3.814 . 0 0 "[ . 1 . 2]" 1
453 1 16 LEU HB3 1 17 THR H . . 4.200 3.347 3.207 3.492 . 0 0 "[ . 1 . 2]" 1
454 1 12 LYS H 1 12 LYS HG3 . . 4.770 4.184 4.021 4.314 . 0 0 "[ . 1 . 2]" 1
455 1 53 GLU H 1 54 LEU HG . . 4.800 4.160 3.556 4.800 . 0 0 "[ . 1 . 2]" 1
456 1 6 ARG H 1 6 ARG HG3 . . 3.920 2.975 1.900 3.896 . 0 0 "[ . 1 . 2]" 1
457 1 11 LYS H 1 57 ALA MB . . 4.310 3.104 2.593 3.492 . 0 0 "[ . 1 . 2]" 1
458 1 2 ALA H 1 2 ALA MB . . 3.560 2.422 2.028 2.794 . 0 0 "[ . 1 . 2]" 1
459 1 19 LEU HG 1 30 GLU H . . 4.370 4.456 4.438 4.490 0.120 18 0 "[ . 1 . 2]" 1
460 1 44 LYS H 1 56 LEU HB3 . . 4.270 4.068 3.886 4.271 0.001 7 0 "[ . 1 . 2]" 1
461 1 46 LEU HG 1 56 LEU H . . 4.050 2.078 1.985 2.328 . 0 0 "[ . 1 . 2]" 1
462 1 9 THR MG 1 10 MET H . . 4.240 4.018 3.774 4.189 . 0 0 "[ . 1 . 2]" 1
463 1 10 MET H 1 38 VAL MG1 . . 4.400 4.021 3.610 4.402 0.002 18 0 "[ . 1 . 2]" 1
464 1 55 VAL H 1 55 VAL MG1 . . 4.590 3.562 3.499 3.637 . 0 0 "[ . 1 . 2]" 1
465 1 56 LEU H 1 56 LEU HG . . 4.790 4.555 4.459 4.637 . 0 0 "[ . 1 . 2]" 1
466 1 12 LYS HG3 1 13 GLY H . . 4.110 3.253 3.077 3.364 . 0 0 "[ . 1 . 2]" 1
467 1 16 LEU H 1 16 LEU HG . . 3.920 2.683 2.332 3.071 . 0 0 "[ . 1 . 2]" 1
468 1 44 LYS HG3 1 45 LYS H . . 4.030 3.421 2.648 4.029 . 0 0 "[ . 1 . 2]" 1
469 1 16 LEU H 1 16 LEU HB3 . . 3.940 3.789 3.661 3.932 . 0 0 "[ . 1 . 2]" 1
470 1 38 VAL H 1 38 VAL MG1 . . 3.810 3.290 3.208 3.346 . 0 0 "[ . 1 . 2]" 1
471 1 45 LYS H 1 55 VAL MG1 . . 4.320 2.869 2.500 3.251 . 0 0 "[ . 1 . 2]" 1
472 1 31 VAL MG2 1 32 ASN H . . 4.240 3.685 1.889 4.338 0.098 20 0 "[ . 1 . 2]" 1
473 1 18 LEU MD1 1 55 VAL MG1 . . 3.580 3.454 3.071 3.595 0.015 20 0 "[ . 1 . 2]" 1
474 1 29 VAL MG2 1 38 VAL MG1 . . 3.530 2.616 2.353 2.866 . 0 0 "[ . 1 . 2]" 1
475 1 58 LEU HB3 1 58 LEU MD1 . . 2.790 2.377 2.300 2.538 . 0 0 "[ . 1 . 2]" 1
476 1 40 ALA MB 1 43 VAL MG2 . . 4.150 2.963 2.868 3.099 . 0 0 "[ . 1 . 2]" 1
477 1 45 LYS HG3 1 55 VAL MG1 . . 3.930 2.654 2.354 3.079 . 0 0 "[ . 1 . 2]" 1
478 1 46 LEU HB3 1 46 LEU QD . . 3.060 2.067 1.930 2.148 . 0 0 "[ . 1 . 2]" 1
479 1 43 VAL HB 1 55 VAL MG1 . . 3.670 3.391 3.189 3.523 . 0 0 "[ . 1 . 2]" 1
480 1 38 VAL MG1 1 63 GLU HB3 . . 4.020 4.025 4.020 4.039 0.019 18 0 "[ . 1 . 2]" 1
481 1 16 LEU MD1 1 29 VAL HB . . 4.160 3.155 3.108 3.188 . 0 0 "[ . 1 . 2]" 1
482 1 16 LEU MD2 1 29 VAL HB . . 3.530 3.442 3.317 3.533 0.003 3 0 "[ . 1 . 2]" 1
483 1 29 VAL HB 1 55 VAL MG2 . . 4.120 3.191 2.997 3.389 . 0 0 "[ . 1 . 2]" 1
484 1 14 ASP HB3 1 16 LEU MD1 . . 3.620 3.492 3.261 3.621 0.001 2 0 "[ . 1 . 2]" 1
485 1 14 ASP HB3 1 16 LEU MD2 . . 4.110 3.369 3.101 3.584 . 0 0 "[ . 1 . 2]" 1
486 1 14 ASP HB3 1 57 ALA MB . . 3.320 2.886 2.497 3.095 . 0 0 "[ . 1 . 2]" 1
487 1 27 TRP HB3 1 43 VAL MG2 . . 3.790 3.255 2.996 3.449 . 0 0 "[ . 1 . 2]" 1
488 1 48 SER HB3 1 54 LEU MD2 . . 4.550 3.289 2.191 4.266 . 0 0 "[ . 1 . 2]" 1
489 1 31 VAL HA 1 31 VAL MG2 . . 3.720 2.533 2.219 3.074 . 0 0 "[ . 1 . 2]" 1
490 1 17 THR MG 1 19 LEU HA . . 3.960 3.191 3.065 3.335 . 0 0 "[ . 1 . 2]" 1
491 1 45 LYS HA 1 55 VAL MG1 . . 3.020 1.914 1.827 1.963 . 0 0 "[ . 1 . 2]" 1
492 1 18 LEU HA 1 29 VAL MG1 . . 3.290 2.646 2.284 2.862 . 0 0 "[ . 1 . 2]" 1
493 1 18 LEU HA 1 55 VAL MG2 . . 4.410 2.044 1.969 2.137 . 0 0 "[ . 1 . 2]" 1
494 1 28 LYS HA 1 29 VAL MG2 . . 4.230 3.729 3.621 3.834 . 0 0 "[ . 1 . 2]" 1
495 1 18 LEU HA 1 18 LEU MD2 . . 4.300 1.876 1.855 1.916 . 0 0 "[ . 1 . 2]" 1
496 1 19 LEU HA 1 19 LEU MD2 . . 3.790 3.808 3.805 3.815 0.025 16 0 "[ . 1 . 2]" 1
497 1 28 LYS HA 1 38 VAL MG2 . . 4.380 2.962 2.765 3.052 . 0 0 "[ . 1 . 2]" 1
498 1 18 LEU HA 1 18 LEU MD1 . . 4.300 3.483 3.257 3.735 . 0 0 "[ . 1 . 2]" 1
499 1 19 LEU HA 1 19 LEU MD1 . . 3.790 2.211 2.183 2.253 . 0 0 "[ . 1 . 2]" 1
500 1 43 VAL MG1 1 57 ALA HA . . 3.270 2.135 1.920 2.350 . 0 0 "[ . 1 . 2]" 1
501 1 46 LEU HA 1 46 LEU QD . . 2.990 2.264 1.971 2.710 . 0 0 "[ . 1 . 2]" 1
502 1 31 VAL HA 1 31 VAL MG1 . . 3.720 2.269 1.957 2.481 . 0 0 "[ . 1 . 2]" 1
503 1 28 LYS HA 1 28 LYS HG3 . . 3.890 2.648 2.569 2.717 . 0 0 "[ . 1 . 2]" 1
504 1 18 LEU HA 1 55 VAL MG1 . . 4.090 3.503 3.259 3.731 . 0 0 "[ . 1 . 2]" 1
505 1 38 VAL HA 1 38 VAL MG1 . . 3.500 2.187 2.058 2.259 . 0 0 "[ . 1 . 2]" 1
506 1 56 LEU HA 1 56 LEU MD2 . . 4.070 2.732 1.948 3.636 . 0 0 "[ . 1 . 2]" 1
507 1 15 ILE HA 1 15 ILE MG . . 3.390 2.346 2.299 2.424 . 0 0 "[ . 1 . 2]" 1
508 1 15 ILE HA 1 16 LEU MD1 . . 3.870 3.337 2.891 3.603 . 0 0 "[ . 1 . 2]" 1
509 1 15 ILE MG 1 16 LEU HA . . 4.880 3.757 3.489 3.994 . 0 0 "[ . 1 . 2]" 1
510 1 16 LEU HA 1 16 LEU MD2 . . 3.980 3.448 3.340 3.559 . 0 0 "[ . 1 . 2]" 1
511 1 15 ILE HA 1 15 ILE MD . . 4.110 3.904 3.856 3.936 . 0 0 "[ . 1 . 2]" 1
512 1 16 LEU MD1 1 56 LEU HA . . 3.510 3.291 2.911 3.511 0.001 13 0 "[ . 1 . 2]" 1
513 1 56 LEU HA 1 56 LEU MD1 . . 4.070 3.235 3.051 3.565 . 0 0 "[ . 1 . 2]" 1
514 1 44 LYS HA 1 58 LEU MD1 . . 4.820 3.900 3.732 4.044 . 0 0 "[ . 1 . 2]" 1
515 1 42 TYR HA 1 58 LEU MD1 . . 4.470 3.768 3.551 3.849 . 0 0 "[ . 1 . 2]" 1
516 1 67 ASN HA 1 68 ALA MB . . 4.660 4.011 3.965 4.059 . 0 0 "[ . 1 . 2]" 1
517 1 43 VAL MG2 1 44 LYS HA . . 4.180 3.702 3.541 3.912 . 0 0 "[ . 1 . 2]" 1
518 1 38 VAL MG1 1 61 TYR HA . . 5.380 5.201 4.957 5.389 0.009 20 0 "[ . 1 . 2]" 1
519 1 9 THR MG 1 62 GLN HA . . 3.970 2.069 1.844 2.455 . 0 0 "[ . 1 . 2]" 1
520 1 41 ALA MB 1 42 TYR HA . . 4.120 3.855 3.826 3.894 . 0 0 "[ . 1 . 2]" 1
521 1 29 VAL HA 1 29 VAL MG1 . . 3.470 2.361 2.283 2.489 . 0 0 "[ . 1 . 2]" 1
522 1 8 VAL MG2 1 35 GLN HA . . 4.070 2.291 1.871 2.857 . 0 0 "[ . 1 . 2]" 1
523 1 8 VAL MG1 1 35 GLN HA . . 4.070 3.436 2.605 3.884 . 0 0 "[ . 1 . 2]" 1
524 1 54 LEU HA 1 55 VAL MG2 . . 3.430 3.055 2.929 3.186 . 0 0 "[ . 1 . 2]" 1
525 1 58 LEU MD1 1 59 TYR QD . . 4.670 4.335 4.203 4.412 . 0 0 "[ . 1 . 2]" 1
526 1 37 PHE QD 1 68 ALA MB . . 4.750 4.243 4.003 4.578 . 0 0 "[ . 1 . 2]" 1
527 1 18 LEU MD1 1 27 TRP HE3 . . 4.450 4.390 4.185 4.462 0.012 9 0 "[ . 1 . 2]" 1
528 1 27 TRP HE3 1 38 VAL MG2 . . 5.500 5.473 5.270 5.514 0.014 17 0 "[ . 1 . 2]" 1
529 1 27 TRP HE3 1 43 VAL MG2 . . 3.330 2.916 2.579 3.172 . 0 0 "[ . 1 . 2]" 1
530 1 27 TRP HE3 1 55 VAL MG2 . . 3.700 3.433 3.285 3.535 . 0 0 "[ . 1 . 2]" 1
531 1 26 TRP HH2 1 39 PRO HG3 . . 4.300 4.194 4.122 4.339 0.039 20 0 "[ . 1 . 2]" 1
532 1 43 VAL H 1 58 LEU MD1 . . 4.330 3.647 3.411 3.794 . 0 0 "[ . 1 . 2]" 1
533 1 43 VAL H 1 43 VAL MG1 . . 4.070 3.153 3.001 3.379 . 0 0 "[ . 1 . 2]" 1
534 1 31 VAL MG2 1 32 ASN HD22 . . 4.870 4.552 4.015 4.883 0.013 9 0 "[ . 1 . 2]" 1
535 1 31 VAL MG1 1 32 ASN HD22 . . 4.870 2.943 2.140 4.892 0.022 10 0 "[ . 1 . 2]" 1
536 1 50 THR MG 1 52 LYS H . . 4.530 2.708 1.801 4.530 0.000 16 0 "[ . 1 . 2]" 1
537 1 8 VAL MG2 1 9 THR H . . 4.210 2.630 2.215 2.867 . 0 0 "[ . 1 . 2]" 1
538 1 8 VAL MG1 1 9 THR H . . 4.210 3.808 3.580 4.156 . 0 0 "[ . 1 . 2]" 1
539 1 38 VAL MG2 1 42 TYR H . . 5.500 5.457 5.356 5.517 0.017 16 0 "[ . 1 . 2]" 1
540 1 15 ILE H 1 15 ILE MG . . 4.410 3.824 3.803 3.865 . 0 0 "[ . 1 . 2]" 1
541 1 15 ILE H 1 16 LEU MD1 . . 4.870 4.746 4.298 4.873 0.003 17 0 "[ . 1 . 2]" 1
542 1 8 VAL H 1 8 VAL MG2 . . 4.220 3.795 3.750 3.845 . 0 0 "[ . 1 . 2]" 1
543 1 48 SER H 1 54 LEU MD2 . . 4.890 4.719 4.105 4.891 0.001 6 0 "[ . 1 . 2]" 1
544 1 8 VAL H 1 8 VAL MG1 . . 4.220 2.173 1.859 2.428 . 0 0 "[ . 1 . 2]" 1
545 1 55 VAL MG2 1 56 LEU H . . 4.710 4.321 4.253 4.363 . 0 0 "[ . 1 . 2]" 1
546 1 18 LEU MD2 1 19 LEU H . . 5.060 3.244 3.072 3.529 . 0 0 "[ . 1 . 2]" 1
547 1 10 MET H 1 29 VAL MG2 . . 5.500 5.221 4.762 5.501 0.001 6 0 "[ . 1 . 2]" 1
548 1 58 LEU H 1 58 LEU MD1 . . 4.220 3.558 3.399 3.641 . 0 0 "[ . 1 . 2]" 1
549 1 58 LEU H 1 58 LEU MD2 . . 4.120 2.873 2.441 3.186 . 0 0 "[ . 1 . 2]" 1
550 1 29 VAL MG1 1 30 GLU H . . 4.480 3.941 3.871 4.011 . 0 0 "[ . 1 . 2]" 1
551 1 46 LEU QD 1 47 ASP H . . 3.870 3.244 2.889 3.696 . 0 0 "[ . 1 . 2]" 1
552 1 19 LEU MD1 1 30 GLU H . . 3.990 1.855 1.849 1.859 . 0 0 "[ . 1 . 2]" 1
553 1 29 VAL MG2 1 30 GLU H . . 4.240 3.727 3.635 3.827 . 0 0 "[ . 1 . 2]" 1
554 1 18 LEU H 1 55 VAL MG2 . . 3.910 3.110 2.978 3.229 . 0 0 "[ . 1 . 2]" 1
555 1 56 LEU MD2 1 57 ALA H . . 3.710 2.321 1.873 2.957 . 0 0 "[ . 1 . 2]" 1
556 1 56 LEU MD1 1 57 ALA H . . 3.710 2.712 1.845 3.710 . 0 0 "[ . 1 . 2]" 1
557 1 15 ILE MG 1 54 LEU HB3 . . 4.030 2.695 2.535 2.974 . 0 0 "[ . 1 . 2]" 1
558 1 56 LEU HG 1 58 LEU MD2 . . 4.110 4.045 3.846 4.114 0.004 20 0 "[ . 1 . 2]" 1
559 1 40 ALA MB 1 41 ALA MB . . 4.150 4.048 3.948 4.100 . 0 0 "[ . 1 . 2]" 1
560 1 39 PRO HA 1 40 ALA MB . . 4.410 3.959 3.927 4.011 . 0 0 "[ . 1 . 2]" 1
561 1 40 ALA MB 1 41 ALA HA . . 4.690 3.869 3.789 3.941 . 0 0 "[ . 1 . 2]" 1
562 1 24 LYS HA 1 40 ALA MB . . 4.860 4.560 3.617 4.771 . 0 0 "[ . 1 . 2]" 1
563 1 25 ASP HA 1 40 ALA MB . . 4.200 3.802 3.143 4.201 0.001 5 0 "[ . 1 . 2]" 1
564 1 26 TRP HA 1 40 ALA MB . . 4.770 3.581 3.447 3.766 . 0 0 "[ . 1 . 2]" 1
565 1 27 TRP HE3 1 40 ALA MB . . 4.710 3.655 3.497 3.781 . 0 0 "[ . 1 . 2]" 1
566 1 27 TRP HD1 1 40 ALA MB . . 3.780 3.504 3.140 3.748 . 0 0 "[ . 1 . 2]" 1
567 1 27 TRP HE1 1 40 ALA MB . . 4.260 4.140 3.784 4.266 0.006 10 0 "[ . 1 . 2]" 1
568 1 25 ASP HB3 1 26 TRP HE1 . . 4.610 3.613 3.360 3.996 . 0 0 "[ . 1 . 2]" 1
569 1 28 LYS HG3 1 37 PHE QE . . 3.850 3.805 3.681 3.854 0.004 10 0 "[ . 1 . 2]" 1
570 1 17 THR H 1 17 THR HB . . 3.310 2.650 2.596 2.750 . 0 0 "[ . 1 . 2]" 1
571 1 26 TRP HA 1 40 ALA H . . 3.700 2.446 2.259 2.565 . 0 0 "[ . 1 . 2]" 1
572 1 23 ASN HA 1 23 ASN HD21 . . 4.570 3.319 2.809 3.916 . 0 0 "[ . 1 . 2]" 1
573 1 9 THR HA 1 63 GLU H . . 4.260 2.992 2.825 3.259 . 0 0 "[ . 1 . 2]" 1
574 1 61 TYR HA 1 61 TYR QD . . 3.470 3.116 3.032 3.207 . 0 0 "[ . 1 . 2]" 1
575 1 20 ASN HA 1 20 ASN HD22 . . 4.180 3.783 3.198 3.978 . 0 0 "[ . 1 . 2]" 1
576 1 71 TYR QD 1 72 SER HA . . 4.700 4.060 3.924 4.501 . 0 0 "[ . 1 . 2]" 1
577 1 37 PHE QD 1 67 ASN HA . . 4.410 4.231 4.034 4.410 0.000 13 0 "[ . 1 . 2]" 1
578 1 26 TRP HZ2 1 72 SER HA . . 4.790 4.398 4.139 4.624 . 0 0 "[ . 1 . 2]" 1
579 1 26 TRP HE3 1 38 VAL H . . 4.390 2.996 2.880 3.171 . 0 0 "[ . 1 . 2]" 1
580 1 27 TRP HZ3 1 45 LYS H . . 4.460 2.947 2.370 3.416 . 0 0 "[ . 1 . 2]" 1
581 1 16 LEU HB3 1 29 VAL MG2 . . 3.990 3.060 2.931 3.240 . 0 0 "[ . 1 . 2]" 1
582 1 58 LEU HB3 1 59 TYR QD . . 3.940 3.634 3.331 3.941 0.001 9 0 "[ . 1 . 2]" 1
583 1 8 VAL HA 1 31 VAL MG1 . . 4.110 3.883 3.478 4.125 0.015 16 0 "[ . 1 . 2]" 1
584 1 8 VAL MG1 1 36 GLY QA . . 4.650 2.382 1.831 2.916 . 0 0 "[ . 1 . 2]" 1
585 1 36 GLY QA 1 37 PHE H . . 3.260 2.274 2.247 2.283 . 0 0 "[ . 1 . 2]" 1
586 1 44 LYS H 1 45 LYS H . . 4.320 4.185 4.056 4.302 . 0 0 "[ . 1 . 2]" 1
587 1 13 GLY H 1 57 ALA H . . 3.620 3.466 3.215 3.622 0.002 20 0 "[ . 1 . 2]" 1
588 1 12 LYS H 1 12 LYS HB3 . . 3.590 2.931 2.751 3.111 . 0 0 "[ . 1 . 2]" 1
589 1 14 ASP H 1 57 ALA MB . . 3.720 2.407 2.138 2.759 . 0 0 "[ . 1 . 2]" 1
590 1 15 ILE HA 1 16 LEU HG . . 4.770 3.675 3.404 3.825 . 0 0 "[ . 1 . 2]" 1
591 1 42 TYR QD 1 43 VAL H . . 4.360 4.271 4.239 4.303 . 0 0 "[ . 1 . 2]" 1
592 1 45 LYS HA 1 46 LEU HG . . 3.900 3.630 3.351 3.901 0.001 14 0 "[ . 1 . 2]" 1
593 1 46 LEU HA 1 46 LEU HG . . 3.440 2.998 2.682 3.306 . 0 0 "[ . 1 . 2]" 1
594 1 16 LEU HB3 1 16 LEU MD2 . . 3.010 1.991 1.952 2.122 . 0 0 "[ . 1 . 2]" 1
595 1 46 LEU QD 1 55 VAL HA . . 3.360 3.156 2.716 3.360 . 16 0 "[ . 1 . 2]" 1
596 1 21 SER HA 1 23 ASN H . . 4.300 3.804 3.521 4.097 . 0 0 "[ . 1 . 2]" 1
597 1 42 TYR HA 1 43 VAL H . . 3.470 3.335 3.242 3.347 . 0 0 "[ . 1 . 2]" 1
598 1 45 LYS HA 1 45 LYS HG3 . . 4.080 2.874 2.649 3.076 . 0 0 "[ . 1 . 2]" 1
599 1 19 LEU HA 1 19 LEU HG . . 3.440 2.615 2.593 2.632 . 0 0 "[ . 1 . 2]" 1
600 1 11 LYS HA 1 11 LYS HG3 . . 4.190 2.849 2.169 3.696 . 0 0 "[ . 1 . 2]" 1
601 1 27 TRP H 1 40 ALA HA . . 4.200 3.543 3.448 3.637 . 0 0 "[ . 1 . 2]" 1
602 1 56 LEU HB3 1 58 LEU H . . 5.500 5.088 4.762 5.500 . 8 0 "[ . 1 . 2]" 1
603 1 27 TRP H 1 37 PHE HA . . 5.270 5.177 4.966 5.281 0.011 3 0 "[ . 1 . 2]" 1
604 1 26 TRP HE1 1 71 TYR H . . 4.560 4.376 4.239 4.594 0.034 20 0 "[ . 1 . 2]" 1
605 1 26 TRP HZ3 1 38 VAL H . . 5.100 4.726 4.552 4.931 . 0 0 "[ . 1 . 2]" 1
606 1 15 ILE H 1 57 ALA H . . 5.060 5.057 5.008 5.065 0.005 18 0 "[ . 1 . 2]" 1
607 1 26 TRP H 1 27 TRP HE1 . . 5.500 5.391 5.185 5.504 0.004 17 0 "[ . 1 . 2]" 1
608 1 9 THR H 1 10 MET H . . 4.610 4.330 4.175 4.467 . 0 0 "[ . 1 . 2]" 1
609 1 26 TRP H 1 27 TRP H . . 5.370 4.091 3.993 4.170 . 0 0 "[ . 1 . 2]" 1
610 1 28 LYS H 1 38 VAL H . . 4.640 4.258 4.129 4.365 . 0 0 "[ . 1 . 2]" 1
611 1 44 LYS H 1 58 LEU H . . 4.970 4.277 4.050 4.417 . 0 0 "[ . 1 . 2]" 1
612 1 23 ASN H 1 27 TRP HE1 . . 5.500 5.506 5.500 5.525 0.025 17 0 "[ . 1 . 2]" 1
613 1 29 VAL H 1 30 GLU H . . 4.480 4.307 4.302 4.316 . 0 0 "[ . 1 . 2]" 1
614 1 28 LYS H 1 29 VAL H . . 4.820 4.586 4.571 4.599 . 0 0 "[ . 1 . 2]" 1
615 1 20 ASN H 1 21 SER H . . 4.540 4.323 4.261 4.399 . 0 0 "[ . 1 . 2]" 1
616 1 26 TRP HB3 1 69 PRO HG3 . . 4.310 3.145 2.835 3.424 . 0 0 "[ . 1 . 2]" 1
617 1 26 TRP HB3 1 38 VAL MG2 . . 5.110 4.786 4.651 4.976 . 0 0 "[ . 1 . 2]" 1
618 1 18 LEU MD2 1 21 SER HB3 . . 3.910 2.533 1.897 3.840 . 0 0 "[ . 1 . 2]" 1
619 1 19 LEU H 1 30 GLU H . . 3.870 3.209 3.125 3.275 . 0 0 "[ . 1 . 2]" 1
620 1 10 MET H 1 11 LYS H . . 4.760 4.372 4.026 4.584 . 0 0 "[ . 1 . 2]" 1
621 1 31 VAL H 1 32 ASN H . . 3.830 3.078 2.037 3.616 . 0 0 "[ . 1 . 2]" 1
622 1 27 TRP H 1 28 LYS H . . 4.970 4.255 4.191 4.351 . 0 0 "[ . 1 . 2]" 1
623 1 16 LEU H 1 17 THR H . . 4.420 4.349 4.156 4.424 0.004 3 0 "[ . 1 . 2]" 1
624 1 21 SER H 1 23 ASN H . . 5.500 5.290 4.978 5.513 0.013 12 0 "[ . 1 . 2]" 1
625 1 43 VAL H 1 44 LYS H . . 4.670 4.422 4.388 4.449 . 0 0 "[ . 1 . 2]" 1
626 1 71 TYR H 1 72 SER H . . 4.760 4.462 4.436 4.578 . 0 0 "[ . 1 . 2]" 1
627 1 16 LEU H 1 54 LEU HA . . 5.410 4.919 4.426 5.354 . 0 0 "[ . 1 . 2]" 1
628 1 15 ILE HA 1 55 VAL H . . 5.260 4.055 3.819 4.277 . 0 0 "[ . 1 . 2]" 1
629 1 10 MET HA 1 61 TYR H . . 4.790 4.523 4.263 4.762 . 0 0 "[ . 1 . 2]" 1
630 1 37 PHE H 1 67 ASN HA . . 5.500 5.481 5.315 5.513 0.013 18 0 "[ . 1 . 2]" 1
631 1 29 VAL H 1 36 GLY QA . . 4.510 4.487 4.405 4.565 0.055 16 0 "[ . 1 . 2]" 1
632 1 13 GLY HA2 1 57 ALA H . . 5.500 4.212 3.892 4.543 . 0 0 "[ . 1 . 2]" 1
633 1 44 LYS H 1 55 VAL MG1 . . 3.640 3.221 2.900 3.531 . 0 0 "[ . 1 . 2]" 1
634 1 27 TRP H 1 38 VAL MG1 . . 5.500 5.495 5.446 5.526 0.026 20 0 "[ . 1 . 2]" 1
635 1 28 LYS H 1 28 LYS HG3 . . 4.270 4.195 4.148 4.232 . 0 0 "[ . 1 . 2]" 1
636 1 28 LYS H 1 29 VAL MG1 . . 4.700 4.215 4.095 4.278 . 0 0 "[ . 1 . 2]" 1
637 1 20 ASN HD21 1 21 SER H . . 4.370 4.062 3.798 4.347 . 0 0 "[ . 1 . 2]" 1
638 1 32 ASN H 1 34 ARG H . . 5.080 4.049 2.872 4.722 . 0 0 "[ . 1 . 2]" 1
639 1 54 LEU H 1 55 VAL H . . 4.690 4.479 4.469 4.482 . 0 0 "[ . 1 . 2]" 1
640 1 10 MET H 1 63 GLU H . . 5.080 4.863 4.562 5.090 0.010 20 0 "[ . 1 . 2]" 1
641 1 46 LEU H 1 55 VAL H . . 5.260 5.116 4.835 5.261 0.001 18 0 "[ . 1 . 2]" 1
642 1 23 ASN HD21 1 24 LYS H . . 5.110 3.702 3.037 4.345 . 0 0 "[ . 1 . 2]" 1
643 1 24 LYS H 1 26 TRP H . . 4.250 3.635 3.238 4.132 . 0 0 "[ . 1 . 2]" 1
644 1 26 TRP H 1 27 TRP HD1 . . 4.330 3.731 3.541 3.903 . 0 0 "[ . 1 . 2]" 1
645 1 42 TYR QE 1 62 GLN H . . 5.500 5.442 5.218 5.511 0.011 20 0 "[ . 1 . 2]" 1
646 1 25 ASP HA 1 40 ALA H . . 4.800 4.344 3.920 4.660 . 0 0 "[ . 1 . 2]" 1
647 1 21 SER HB3 1 22 THR H . . 4.800 4.427 4.041 4.618 . 0 0 "[ . 1 . 2]" 1
648 1 40 ALA HA 1 42 TYR H . . 4.850 3.774 3.630 3.875 . 0 0 "[ . 1 . 2]" 1
649 1 15 ILE H 1 16 LEU HG . . 5.500 4.179 3.888 4.329 . 0 0 "[ . 1 . 2]" 1
650 1 15 ILE H 1 57 ALA MB . . 5.500 5.098 4.841 5.290 . 0 0 "[ . 1 . 2]" 1
651 1 9 THR MG 1 62 GLN H . . 5.340 4.567 4.226 4.939 . 0 0 "[ . 1 . 2]" 1
652 1 38 VAL MG1 1 62 GLN H . . 5.500 4.494 4.215 4.921 . 0 0 "[ . 1 . 2]" 1
653 1 54 LEU H 1 55 VAL MG1 . . 4.600 4.334 4.204 4.456 . 0 0 "[ . 1 . 2]" 1
654 1 49 GLY H 1 50 THR MG . . 4.400 3.902 3.452 4.400 . 0 0 "[ . 1 . 2]" 1
655 1 41 ALA H 1 43 VAL MG2 . . 5.430 4.087 3.955 4.268 . 0 0 "[ . 1 . 2]" 1
656 1 40 ALA MB 1 43 VAL H . . 4.310 4.220 4.151 4.312 0.002 20 0 "[ . 1 . 2]" 1
657 1 58 LEU MD2 1 59 TYR H . . 4.900 4.466 4.225 4.668 . 0 0 "[ . 1 . 2]" 1
658 1 39 PRO HG3 1 61 TYR QD . . 4.580 2.468 2.205 2.628 . 0 0 "[ . 1 . 2]" 1
659 1 18 LEU HG 1 27 TRP HE3 . . 5.010 4.157 3.909 4.394 . 0 0 "[ . 1 . 2]" 1
660 1 27 TRP HH2 1 55 VAL MG1 . . 4.160 4.138 4.028 4.167 0.007 11 0 "[ . 1 . 2]" 1
661 1 26 TRP HE3 1 38 VAL MG1 . . 5.500 4.032 3.887 4.177 . 0 0 "[ . 1 . 2]" 1
662 1 27 TRP HH2 1 45 LYS HB3 . . 5.020 4.817 4.461 5.021 0.001 14 0 "[ . 1 . 2]" 1
663 1 27 TRP HE3 1 55 VAL HB . . 4.840 3.894 3.822 4.015 . 0 0 "[ . 1 . 2]" 1
664 1 26 TRP HE3 1 38 VAL HB . . 5.160 4.452 4.362 4.574 . 0 0 "[ . 1 . 2]" 1
665 1 61 TYR QD 1 63 GLU HG3 . . 5.380 5.204 4.767 5.387 0.007 8 0 "[ . 1 . 2]" 1
666 1 27 TRP HD1 1 40 ALA HA . . 5.500 5.447 5.168 5.507 0.007 16 0 "[ . 1 . 2]" 1
667 1 27 TRP HB3 1 40 ALA H . . 5.500 5.376 5.208 5.506 0.006 11 0 "[ . 1 . 2]" 1
668 1 37 PHE QE 1 68 ALA HA . . 3.680 3.291 2.819 3.525 . 0 0 "[ . 1 . 2]" 1
669 1 26 TRP HD1 1 69 PRO HA . . 5.360 4.969 4.790 5.375 0.015 20 0 "[ . 1 . 2]" 1
670 1 71 TYR QD 1 74 PRO HD3 . . 4.850 4.643 4.554 4.792 . 0 0 "[ . 1 . 2]" 1
671 1 42 TYR HA 1 59 TYR H . . 4.250 2.897 2.737 3.007 . 0 0 "[ . 1 . 2]" 1
672 1 37 PHE QE 1 66 ASP HA . . 5.500 5.462 5.086 5.507 0.007 16 0 "[ . 1 . 2]" 1
673 1 26 TRP HA 1 27 TRP HD1 . . 4.940 4.591 4.415 4.730 . 0 0 "[ . 1 . 2]" 1
674 1 26 TRP HA 1 26 TRP HD1 . . 4.160 3.899 3.836 4.013 . 0 0 "[ . 1 . 2]" 1
675 1 61 TYR QD 1 62 GLN HA . . 3.070 2.895 2.719 3.062 . 0 0 "[ . 1 . 2]" 1
676 1 61 TYR QE 1 62 GLN HA . . 4.270 4.130 3.978 4.271 0.001 9 0 "[ . 1 . 2]" 1
677 1 71 TYR QD 1 73 PRO HA . . 4.180 4.003 3.852 4.104 . 0 0 "[ . 1 . 2]" 1
678 1 61 TYR QD 1 62 GLN HE21 . . 4.690 4.557 4.225 4.697 0.007 15 0 "[ . 1 . 2]" 1
679 1 26 TRP HE3 1 40 ALA H . . 5.260 5.202 5.076 5.267 0.007 11 0 "[ . 1 . 2]" 1
680 1 61 TYR QE 1 62 GLN H . . 4.380 3.431 3.375 3.647 . 0 0 "[ . 1 . 2]" 1
681 1 37 PHE QD 1 68 ALA H . . 4.610 4.335 3.784 4.612 0.002 15 0 "[ . 1 . 2]" 1
682 1 23 ASN HD21 1 26 TRP HD1 . . 3.180 2.800 2.217 3.181 0.001 6 0 "[ . 1 . 2]" 1
683 1 37 PHE QD 1 67 ASN H . . 4.310 3.271 2.984 3.505 . 0 0 "[ . 1 . 2]" 1
684 1 61 TYR QE 1 63 GLU H . . 4.730 3.282 2.976 3.544 . 0 0 "[ . 1 . 2]" 1
685 1 61 TYR QD 1 63 GLU H . . 4.510 3.181 2.865 3.548 . 0 0 "[ . 1 . 2]" 1
686 1 20 ASN HD22 1 22 THR H . . 4.790 3.982 3.676 4.746 . 0 0 "[ . 1 . 2]" 1
687 1 41 ALA H 1 43 VAL H . . 4.040 3.908 3.853 4.002 . 0 0 "[ . 1 . 2]" 1
688 1 22 THR H 1 27 TRP HD1 . . 5.370 5.193 4.878 5.372 0.002 3 0 "[ . 1 . 2]" 1
689 1 59 TYR H 1 60 ASP H . . 4.550 4.450 4.394 4.482 . 0 0 "[ . 1 . 2]" 1
690 1 8 VAL H 1 61 TYR QE . . 5.500 5.489 5.385 5.505 0.005 20 0 "[ . 1 . 2]" 1
691 1 37 PHE H 1 37 PHE QE . . 5.270 4.683 4.501 4.885 . 0 0 "[ . 1 . 2]" 1
692 1 6 ARG H 1 6 ARG HE . . 4.520 3.670 2.390 4.521 0.001 1 0 "[ . 1 . 2]" 1
693 1 27 TRP HH2 1 45 LYS H . . 4.650 4.186 3.898 4.544 . 0 0 "[ . 1 . 2]" 1
694 1 26 TRP HE3 1 37 PHE HA . . 4.340 4.113 3.955 4.338 . 0 0 "[ . 1 . 2]" 1
695 1 43 VAL HA 1 59 TYR H . . 4.170 4.118 3.955 4.175 0.005 16 0 "[ . 1 . 2]" 1
696 1 27 TRP HA 1 37 PHE QD . . 5.320 4.530 4.119 4.719 . 0 0 "[ . 1 . 2]" 1
697 1 27 TRP HA 1 27 TRP HE3 . . 5.250 5.032 5.002 5.070 . 0 0 "[ . 1 . 2]" 1
698 1 59 TYR HA 1 59 TYR QE . . 4.650 4.624 4.562 4.653 0.003 2 0 "[ . 1 . 2]" 1
699 1 27 TRP HZ3 1 44 LYS HA . . 4.250 3.761 3.409 4.171 . 0 0 "[ . 1 . 2]" 1
700 1 69 PRO HA 1 71 TYR H . . 5.100 3.201 3.033 4.119 . 0 0 "[ . 1 . 2]" 1
701 1 71 TYR QE 1 74 PRO HG3 . . 5.500 5.492 5.374 5.506 0.006 15 0 "[ . 1 . 2]" 1
702 1 26 TRP HZ3 1 38 VAL HB . . 5.270 4.577 4.480 4.664 . 0 0 "[ . 1 . 2]" 1
703 1 28 LYS HB3 1 37 PHE QD . . 5.270 4.949 4.610 5.122 . 0 0 "[ . 1 . 2]" 1
704 1 58 LEU HG 1 59 TYR H . . 4.040 3.818 3.507 4.023 . 0 0 "[ . 1 . 2]" 1
705 1 26 TRP HZ2 1 39 PRO HB3 . . 5.140 4.362 4.195 4.668 . 0 0 "[ . 1 . 2]" 1
706 1 26 TRP HZ2 1 69 PRO HB3 . . 5.170 4.971 4.329 5.116 . 0 0 "[ . 1 . 2]" 1
707 1 42 TYR QD 1 58 LEU MD1 . . 5.500 5.475 5.249 5.504 0.004 16 0 "[ . 1 . 2]" 1
708 1 58 LEU MD2 1 59 TYR QE . . 5.500 4.752 4.366 5.131 . 0 0 "[ . 1 . 2]" 1
709 1 27 TRP HZ3 1 40 ALA MB . . 4.870 4.781 4.548 4.870 0.000 4 0 "[ . 1 . 2]" 1
710 1 28 LYS H 1 37 PHE HA . . 5.500 4.136 3.923 4.302 . 0 0 "[ . 1 . 2]" 1
711 1 42 TYR H 1 43 VAL HA . . 5.190 4.987 4.931 5.034 . 0 0 "[ . 1 . 2]" 1
712 1 20 ASN H 1 29 VAL HA . . 5.500 5.483 5.453 5.508 0.008 11 0 "[ . 1 . 2]" 1
713 1 27 TRP HA 1 37 PHE QE . . 5.500 5.369 5.070 5.502 0.002 6 0 "[ . 1 . 2]" 1
714 1 43 VAL HA 1 58 LEU HA . . 5.180 4.847 4.607 5.007 . 0 0 "[ . 1 . 2]" 1
715 1 36 GLY QA 1 37 PHE HA . . 5.270 3.945 3.934 3.957 . 0 0 "[ . 1 . 2]" 1
716 1 16 LEU HB3 1 29 VAL HA . . 5.080 4.656 4.586 4.711 . 0 0 "[ . 1 . 2]" 1
717 1 16 LEU HB3 1 30 GLU HA . . 5.500 4.810 4.612 4.964 . 0 0 "[ . 1 . 2]" 1
718 1 54 LEU HA 1 55 VAL HB . . 5.500 5.555 5.517 5.583 0.083 16 0 "[ . 1 . 2]" 1
719 1 54 LEU HA 1 55 VAL MG1 . . 4.540 4.173 3.991 4.323 . 0 0 "[ . 1 . 2]" 1
720 1 29 VAL MG1 1 37 PHE HA . . 5.490 5.127 4.912 5.350 . 0 0 "[ . 1 . 2]" 1
721 1 27 TRP HA 1 40 ALA MB . . 5.280 4.225 3.999 4.452 . 0 0 "[ . 1 . 2]" 1
722 1 18 LEU HA 1 18 LEU HG . . 3.970 3.376 3.017 3.575 . 0 0 "[ . 1 . 2]" 1
723 1 17 THR HB 1 19 LEU HG . . 5.500 4.830 4.566 4.929 . 0 0 "[ . 1 . 2]" 1
724 1 21 SER HA 1 27 TRP HB3 . . 4.590 3.786 3.586 3.960 . 0 0 "[ . 1 . 2]" 1
725 1 23 ASN HA 1 24 LYS HA . . 4.410 4.383 4.344 4.430 0.020 20 0 "[ . 1 . 2]" 1
726 1 22 THR HA 1 23 ASN HA . . 4.910 4.768 4.699 4.807 . 0 0 "[ . 1 . 2]" 1
727 1 38 VAL HA 1 39 PRO HA . . 4.550 4.390 4.388 4.391 . 0 0 "[ . 1 . 2]" 1
728 1 16 LEU HA 1 17 THR HB . . 4.900 4.681 4.597 4.787 . 0 0 "[ . 1 . 2]" 1
729 1 35 GLN HA 1 36 GLY QA . . 4.840 3.961 3.900 4.057 . 0 0 "[ . 1 . 2]" 1
730 1 17 THR HB 1 29 VAL HA . . 5.390 4.315 3.983 4.549 . 0 0 "[ . 1 . 2]" 1
731 1 17 THR HB 1 30 GLU HA . . 5.500 4.799 4.615 5.059 . 0 0 "[ . 1 . 2]" 1
732 1 8 VAL HA 1 35 GLN HA . . 5.500 4.419 3.856 5.054 . 0 0 "[ . 1 . 2]" 1
733 1 42 TYR QD 1 76 PRO HA . . 4.400 4.285 4.199 4.401 0.001 13 0 "[ . 1 . 2]" 1
734 1 26 TRP HZ3 1 39 PRO HA . . 5.500 4.732 4.635 4.816 . 0 0 "[ . 1 . 2]" 1
735 1 59 TYR QD 1 76 PRO HA . . 4.580 3.220 3.076 3.394 . 0 0 "[ . 1 . 2]" 1
736 1 51 GLY H 1 52 LYS HA . . 5.500 4.635 4.315 5.005 . 0 0 "[ . 1 . 2]" 1
737 1 21 SER HA 1 28 LYS H . . 4.530 2.405 2.278 2.523 . 0 0 "[ . 1 . 2]" 1
738 1 13 GLY H 1 58 LEU HA . . 4.190 4.030 3.815 4.190 0.000 12 0 "[ . 1 . 2]" 1
739 1 27 TRP H 1 39 PRO HA . . 4.330 3.515 3.414 3.661 . 0 0 "[ . 1 . 2]" 1
740 1 32 ASN H 1 32 ASN HB3 . . 4.210 3.919 3.315 4.081 . 0 0 "[ . 1 . 2]" 1
741 1 71 TYR HB3 1 72 SER H . . 3.790 3.522 3.502 3.545 . 0 0 "[ . 1 . 2]" 1
742 1 59 TYR HB3 1 60 ASP H . . 3.500 2.406 2.157 2.750 . 0 0 "[ . 1 . 2]" 1
743 1 42 TYR QD 1 76 PRO HD3 . . 5.480 4.527 4.515 4.542 . 0 0 "[ . 1 . 2]" 1
744 1 42 TYR QE 1 76 PRO HD3 . . 3.000 2.977 2.862 3.003 0.003 20 0 "[ . 1 . 2]" 1
745 1 42 TYR QE 1 77 PRO HD3 . . 4.080 3.755 3.605 3.925 . 0 0 "[ . 1 . 2]" 1
746 1 42 TYR HB3 1 59 TYR QD . . 3.710 3.657 3.598 3.714 0.004 16 0 "[ . 1 . 2]" 1
747 1 42 TYR QD 1 77 PRO HD3 . . 5.040 4.568 4.431 4.774 . 0 0 "[ . 1 . 2]" 1
748 1 13 GLY HA2 1 57 ALA MB . . 4.740 4.459 4.162 4.741 0.001 15 0 "[ . 1 . 2]" 1
749 1 26 TRP HB3 1 39 PRO HD3 . . 5.500 5.417 5.313 5.501 0.001 3 0 "[ . 1 . 2]" 1
750 1 42 TYR HB3 1 43 VAL MG1 . . 3.930 3.480 3.302 3.740 . 0 0 "[ . 1 . 2]" 1
751 1 75 PRO HB3 1 76 PRO HD3 . . 4.820 4.539 4.529 4.553 . 0 0 "[ . 1 . 2]" 1
752 1 13 GLY HA2 1 56 LEU MD2 . . 3.440 2.725 2.288 3.430 . 0 0 "[ . 1 . 2]" 1
753 1 27 TRP HB3 1 55 VAL MG1 . . 5.200 4.034 3.831 4.264 . 0 0 "[ . 1 . 2]" 1
754 1 27 TRP HB3 1 40 ALA MB . . 4.990 3.790 3.591 3.993 . 0 0 "[ . 1 . 2]" 1
755 1 61 TYR QE 1 63 GLU HG3 . . 3.840 3.329 2.775 3.604 . 0 0 "[ . 1 . 2]" 1
756 1 62 GLN HE22 1 63 GLU HB3 . . 5.110 4.950 4.649 5.136 0.026 20 0 "[ . 1 . 2]" 1
757 1 61 TYR QD 1 74 PRO HG3 . . 4.550 3.197 3.130 3.371 . 0 0 "[ . 1 . 2]" 1
758 1 39 PRO HD3 1 61 TYR QD . . 4.270 3.396 3.214 3.565 . 0 0 "[ . 1 . 2]" 1
759 1 39 PRO HD3 1 61 TYR QE . . 3.460 2.318 2.092 2.421 . 0 0 "[ . 1 . 2]" 1
760 1 26 TRP HE3 1 39 PRO HD3 . . 4.970 3.180 3.086 3.260 . 0 0 "[ . 1 . 2]" 1
761 1 42 TYR QD 1 74 PRO HG3 . . 5.360 5.343 5.290 5.373 0.013 20 0 "[ . 1 . 2]" 1
762 1 20 ASN HB3 1 28 LYS H . . 4.650 4.533 4.312 4.655 0.005 8 0 "[ . 1 . 2]" 1
763 1 11 LYS H 1 14 ASP HB3 . . 4.560 3.129 2.590 3.573 . 0 0 "[ . 1 . 2]" 1
764 1 67 ASN HB3 1 68 ALA H . . 4.080 3.311 2.779 4.086 0.006 6 0 "[ . 1 . 2]" 1
765 1 67 ASN H 1 67 ASN HB3 . . 3.920 3.358 2.465 3.787 . 0 0 "[ . 1 . 2]" 1
766 1 14 ASP HB3 1 15 ILE H . . 3.620 3.473 3.176 3.620 0.000 19 0 "[ . 1 . 2]" 1
767 1 14 ASP H 1 14 ASP HB3 . . 3.650 3.108 2.868 3.264 . 0 0 "[ . 1 . 2]" 1
768 1 37 PHE H 1 63 GLU HG3 . . 3.820 3.231 2.820 3.571 . 0 0 "[ . 1 . 2]" 1
769 1 63 GLU HG3 1 64 SER H . . 4.320 4.137 2.928 4.323 0.003 4 0 "[ . 1 . 2]" 1
770 1 32 ASN HB3 1 33 ASP H . . 4.230 3.421 2.969 4.188 . 0 0 "[ . 1 . 2]" 1
771 1 20 ASN HB3 1 21 SER H . . 4.450 4.006 3.897 4.108 . 0 0 "[ . 1 . 2]" 1
772 1 31 VAL HB 1 32 ASN H . . 4.600 3.883 1.895 4.549 . 0 0 "[ . 1 . 2]" 1
773 1 27 TRP H 1 27 TRP HB3 . . 3.700 3.507 3.485 3.528 . 0 0 "[ . 1 . 2]" 1
774 1 21 SER HB3 1 27 TRP HE1 . . 4.790 4.065 2.498 4.521 . 0 0 "[ . 1 . 2]" 1
775 1 26 TRP HB3 1 38 VAL H . . 4.560 3.406 3.140 3.599 . 0 0 "[ . 1 . 2]" 1
776 1 20 ASN HA 1 20 ASN HB3 . . 2.960 2.869 2.855 2.911 . 0 0 "[ . 1 . 2]" 1
777 1 73 PRO HA 1 74 PRO HG3 . . 4.560 4.401 4.383 4.457 . 0 0 "[ . 1 . 2]" 1
778 1 40 ALA HA 1 41 ALA HA . . 5.050 4.797 4.776 4.822 . 0 0 "[ . 1 . 2]" 1
779 1 39 PRO HA 1 40 ALA HA . . 4.550 4.425 4.413 4.436 . 0 0 "[ . 1 . 2]" 1
780 1 8 VAL HB 1 63 GLU HG3 . . 5.370 5.271 4.950 5.377 0.007 18 0 "[ . 1 . 2]" 1
781 1 8 VAL HB 1 63 GLU HB3 . . 4.180 4.045 3.774 4.191 0.011 13 0 "[ . 1 . 2]" 1
782 1 18 LEU HB3 1 53 GLU HB3 . . 3.710 2.065 1.999 2.204 . 0 0 "[ . 1 . 2]" 1
783 1 38 VAL MG1 1 63 GLU HG3 . . 3.740 3.369 2.757 3.707 . 0 0 "[ . 1 . 2]" 1
784 1 29 VAL MG1 1 38 VAL HB . . 5.220 4.585 4.277 4.931 . 0 0 "[ . 1 . 2]" 1
785 1 38 VAL H 1 38 VAL HB . . 3.980 3.762 3.682 3.826 . 0 0 "[ . 1 . 2]" 1
786 1 28 LYS HG3 1 29 VAL H . . 3.830 3.705 3.558 3.836 0.006 18 0 "[ . 1 . 2]" 1
787 1 46 LEU QD 1 56 LEU H . . 3.720 2.316 2.022 2.524 . 0 0 "[ . 1 . 2]" 1
788 1 44 LYS H 1 58 LEU HG . . 3.790 3.674 3.502 3.791 0.001 20 0 "[ . 1 . 2]" 1
789 1 35 GLN HB3 1 36 GLY H . . 3.660 3.070 2.507 3.663 0.003 19 0 "[ . 1 . 2]" 1
790 1 24 LYS HB3 1 25 ASP H . . 4.300 3.292 2.620 3.923 . 0 0 "[ . 1 . 2]" 1
791 1 28 LYS HG3 1 37 PHE H . . 4.580 3.940 3.613 4.079 . 0 0 "[ . 1 . 2]" 1
792 1 11 LYS H 1 16 LEU MD1 . . 4.650 4.101 3.564 4.651 0.001 20 0 "[ . 1 . 2]" 1
793 1 16 LEU MD1 1 30 GLU H . . 5.500 5.507 5.501 5.516 0.016 16 0 "[ . 1 . 2]" 1
794 1 15 ILE MG 1 18 LEU H . . 5.450 5.078 4.821 5.293 . 0 0 "[ . 1 . 2]" 1
795 1 69 PRO HB3 1 70 SER H . . 4.550 4.312 3.324 4.547 . 0 0 "[ . 1 . 2]" 1
796 1 14 ASP H 1 56 LEU MD1 . . 3.440 3.096 2.362 3.442 0.002 15 0 "[ . 1 . 2]" 1
797 1 14 ASP H 1 56 LEU MD2 . . 3.440 2.845 1.883 3.444 0.004 20 0 "[ . 1 . 2]" 1
798 1 14 ASP H 1 16 LEU MD1 . . 4.740 4.419 4.165 4.610 . 0 0 "[ . 1 . 2]" 1
799 1 15 ILE MG 1 17 THR H . . 5.020 4.304 4.101 4.468 . 0 0 "[ . 1 . 2]" 1
800 1 19 LEU HG 1 20 ASN H . . 5.500 3.156 3.121 3.247 . 0 0 "[ . 1 . 2]" 1
801 1 43 VAL H 1 43 VAL HB . . 3.880 3.776 3.728 3.811 . 0 0 "[ . 1 . 2]" 1
802 1 40 ALA H 1 73 PRO HG3 . . 5.480 5.064 4.395 5.359 . 0 0 "[ . 1 . 2]" 1
803 1 27 TRP HE3 1 29 VAL MG1 . . 5.110 4.028 3.959 4.103 . 0 0 "[ . 1 . 2]" 1
804 1 31 VAL MG1 1 32 ASN HD21 . . 4.870 2.385 1.691 4.183 . 0 0 "[ . 1 . 2]" 1
805 1 28 LYS HG3 1 37 PHE QD . . 5.210 3.522 3.431 3.584 . 0 0 "[ . 1 . 2]" 1
806 1 26 TRP HE3 1 69 PRO HG3 . . 5.210 5.036 4.832 5.213 0.003 19 0 "[ . 1 . 2]" 1
807 1 31 VAL MG2 1 32 ASN HD21 . . 4.870 4.014 3.240 4.458 . 0 0 "[ . 1 . 2]" 1
808 1 37 PHE QD 1 69 PRO HB3 . . 5.030 4.103 3.815 4.526 . 0 0 "[ . 1 . 2]" 1
809 1 9 THR MG 1 62 GLN HE22 . . 4.570 2.316 1.994 2.733 . 0 0 "[ . 1 . 2]" 1
810 1 59 TYR QE 1 76 PRO HG3 . . 3.600 2.928 2.812 3.040 . 0 0 "[ . 1 . 2]" 1
811 1 58 LEU MD1 1 59 TYR H . . 4.790 4.359 4.126 4.515 . 0 0 "[ . 1 . 2]" 1
812 1 18 LEU MD2 1 27 TRP HH2 . . 4.890 4.418 4.148 4.690 . 0 0 "[ . 1 . 2]" 1
813 1 37 PHE HA 1 69 PRO HG3 . . 5.500 5.498 5.414 5.529 0.029 20 0 "[ . 1 . 2]" 1
814 1 46 LEU HB3 1 55 VAL HA . . 5.500 5.496 5.426 5.502 0.002 14 0 "[ . 1 . 2]" 1
815 1 18 LEU MD2 1 20 ASN HA . . 5.500 5.211 4.918 5.519 0.019 5 0 "[ . 1 . 2]" 1
816 1 44 LYS HA 1 58 LEU MD2 . . 5.050 4.473 4.065 4.915 . 0 0 "[ . 1 . 2]" 1
817 1 8 VAL MG2 1 9 THR HA . . 4.550 3.897 3.455 4.177 . 0 0 "[ . 1 . 2]" 1
818 1 38 VAL MG1 1 62 GLN HA . . 4.920 4.879 4.700 4.927 0.007 13 0 "[ . 1 . 2]" 1
819 1 53 GLU HA 1 54 LEU HG . . 3.980 3.870 3.726 3.980 0.000 20 0 "[ . 1 . 2]" 1
820 1 57 ALA HA 1 58 LEU MD2 . . 4.680 4.049 3.508 4.580 . 0 0 "[ . 1 . 2]" 1
821 1 41 ALA HA 1 43 VAL MG2 . . 4.780 4.758 4.651 4.782 0.002 14 0 "[ . 1 . 2]" 1
822 1 49 GLY QA 1 50 THR MG . . 5.390 3.951 3.445 4.297 . 0 0 "[ . 1 . 2]" 1
823 1 41 ALA HA 1 58 LEU MD1 . . 4.960 4.030 3.828 4.184 . 0 0 "[ . 1 . 2]" 1
824 1 16 LEU MD1 1 57 ALA HA . . 4.000 3.241 3.062 3.628 . 0 0 "[ . 1 . 2]" 1
825 1 10 MET HA 1 57 ALA MB . . 3.420 3.359 2.977 3.425 0.005 12 0 "[ . 1 . 2]" 1
826 1 22 THR MG 1 23 ASN HA . . 5.050 3.724 3.414 5.190 0.140 17 0 "[ . 1 . 2]" 1
827 1 44 LYS HA 1 58 LEU HG . . 5.500 4.887 4.644 5.046 . 0 0 "[ . 1 . 2]" 1
828 1 57 ALA MB 1 58 LEU HA . . 4.570 4.411 4.326 4.506 . 0 0 "[ . 1 . 2]" 1
829 1 56 LEU HG 1 58 LEU HA . . 5.500 5.231 4.949 5.502 0.002 14 0 "[ . 1 . 2]" 1
830 1 48 SER HB3 1 54 LEU MD1 . . 4.550 3.281 2.158 4.173 . 0 0 "[ . 1 . 2]" 1
831 1 38 VAL MG1 1 61 TYR HB3 . . 3.440 3.084 2.810 3.377 . 0 0 "[ . 1 . 2]" 1
832 1 13 GLY HA2 1 56 LEU MD1 . . 3.440 2.641 2.202 2.939 . 0 0 "[ . 1 . 2]" 1
833 1 76 PRO HB3 1 77 PRO HD3 . . 4.310 3.729 3.728 3.734 . 0 0 "[ . 1 . 2]" 1
834 1 18 LEU HG 1 53 GLU HB3 . . 4.360 3.805 3.303 4.291 . 0 0 "[ . 1 . 2]" 1
835 1 10 MET HB3 1 16 LEU MD2 . . 3.930 2.779 2.430 3.324 . 0 0 "[ . 1 . 2]" 1
836 1 16 LEU MD1 1 43 VAL HB . . 4.130 3.793 3.533 3.997 . 0 0 "[ . 1 . 2]" 1
837 1 56 LEU HG 1 57 ALA MB . . 5.500 4.645 3.638 5.449 . 0 0 "[ . 1 . 2]" 1
838 1 16 LEU MD1 1 57 ALA MB . . 2.600 2.114 1.867 2.481 . 0 0 "[ . 1 . 2]" 1
839 1 43 VAL MG1 1 57 ALA MB . . 3.870 2.746 2.632 2.867 . 0 0 "[ . 1 . 2]" 1
840 1 57 ALA MB 1 58 LEU MD2 . . 5.090 4.674 4.340 5.064 . 0 0 "[ . 1 . 2]" 1
841 1 18 LEU MD1 1 19 LEU H . . 5.060 4.484 4.065 5.085 0.025 15 0 "[ . 1 . 2]" 1
842 1 18 LEU H 1 18 LEU MD1 . . 4.540 4.284 4.231 4.375 . 0 0 "[ . 1 . 2]" 1
843 1 44 LYS H 1 58 LEU MD2 . . 4.680 3.604 2.775 4.218 . 0 0 "[ . 1 . 2]" 1
844 1 44 LYS H 1 58 LEU MD1 . . 4.300 4.108 3.949 4.241 . 0 0 "[ . 1 . 2]" 1
845 1 19 LEU MD2 1 30 GLU H . . 3.990 2.503 2.460 2.523 . 0 0 "[ . 1 . 2]" 1
846 1 18 LEU H 1 18 LEU MD2 . . 4.540 3.964 3.891 4.011 . 0 0 "[ . 1 . 2]" 1
847 1 43 VAL MG1 1 56 LEU H . . 5.120 4.990 4.632 5.120 0.000 10 0 "[ . 1 . 2]" 1
848 1 19 LEU H 1 55 VAL MG2 . . 4.540 3.789 3.700 3.868 . 0 0 "[ . 1 . 2]" 1
849 1 18 LEU H 1 55 VAL MG1 . . 4.800 4.664 4.361 4.806 0.006 15 0 "[ . 1 . 2]" 1
850 1 37 PHE H 1 38 VAL MG2 . . 5.500 5.037 4.895 5.137 . 0 0 "[ . 1 . 2]" 1
851 1 68 ALA MB 1 70 SER H . . 4.980 4.052 3.277 4.409 . 0 0 "[ . 1 . 2]" 1
852 1 30 GLU HA 1 31 VAL MG2 . . 5.500 3.382 2.906 3.697 . 0 0 "[ . 1 . 2]" 1
853 1 16 LEU MD1 1 43 VAL HA . . 4.700 4.438 4.185 4.701 0.001 20 0 "[ . 1 . 2]" 1
854 1 26 TRP HA 1 38 VAL MG2 . . 5.500 4.686 4.544 4.818 . 0 0 "[ . 1 . 2]" 1
855 1 18 LEU MD1 1 20 ASN HA . . 5.500 4.703 4.279 5.509 0.009 6 0 "[ . 1 . 2]" 1
856 1 16 LEU MD1 1 29 VAL HA . . 5.500 5.252 5.181 5.287 . 0 0 "[ . 1 . 2]" 1
857 1 10 MET HA 1 16 LEU MD2 . . 2.750 2.143 1.958 2.563 . 0 0 "[ . 1 . 2]" 1
858 1 10 MET HA 1 16 LEU MD1 . . 4.900 3.297 2.934 3.594 . 0 0 "[ . 1 . 2]" 1
859 1 8 VAL MG1 1 9 THR HA . . 4.550 3.696 3.434 4.102 . 0 0 "[ . 1 . 2]" 1
860 1 18 LEU MD1 1 53 GLU HA . . 5.500 3.680 3.205 4.084 . 0 0 "[ . 1 . 2]" 1
861 1 42 TYR HA 1 58 LEU HB3 . . 5.030 4.818 4.493 5.030 0.000 20 0 "[ . 1 . 2]" 1
862 1 9 THR HA 1 38 VAL MG1 . . 4.340 4.168 4.013 4.345 0.005 15 0 "[ . 1 . 2]" 1
863 1 8 VAL HA 1 31 VAL MG2 . . 4.110 2.790 2.075 3.398 . 0 0 "[ . 1 . 2]" 1
864 1 27 TRP HB3 1 38 VAL MG2 . . 4.040 3.874 3.726 3.924 . 0 0 "[ . 1 . 2]" 1
865 1 39 PRO HG3 1 74 PRO HG3 . . 3.460 2.925 2.798 3.179 . 0 0 "[ . 1 . 2]" 1
866 1 40 ALA MB 1 42 TYR H . . 4.590 4.471 4.305 4.532 . 0 0 "[ . 1 . 2]" 1
867 1 27 TRP HH2 1 40 ALA MB . . 5.480 5.258 4.944 5.379 . 0 0 "[ . 1 . 2]" 1
868 1 18 LEU MD1 1 27 TRP HH2 . . 4.890 4.353 3.792 4.617 . 0 0 "[ . 1 . 2]" 1
869 1 40 ALA MB 1 73 PRO HG3 . . 5.500 5.376 4.868 5.502 0.002 4 0 "[ . 1 . 2]" 1
870 1 8 VAL MG2 1 63 GLU H . . 5.360 4.859 4.475 5.239 . 0 0 "[ . 1 . 2]" 1
871 1 8 VAL MG1 1 63 GLU H . . 5.360 3.319 3.220 3.516 . 0 0 "[ . 1 . 2]" 1
872 1 37 PHE QE 1 69 PRO HG3 . . 5.310 3.897 3.558 4.632 . 0 0 "[ . 1 . 2]" 1
873 1 9 THR MG 1 62 GLN HE21 . . 3.280 2.269 1.849 2.707 . 0 0 "[ . 1 . 2]" 1
874 1 20 ASN H 1 28 LYS HG3 . . 5.270 5.269 5.212 5.298 0.028 11 0 "[ . 1 . 2]" 1
875 1 42 TYR H 1 58 LEU MD1 . . 5.500 4.822 4.647 4.919 . 0 0 "[ . 1 . 2]" 1
876 1 29 VAL MG2 1 38 VAL HA . . 5.500 4.982 4.862 5.134 . 0 0 "[ . 1 . 2]" 1
877 1 25 ASP HB3 1 73 PRO HG3 . . 3.340 2.663 2.000 3.341 0.001 13 0 "[ . 1 . 2]" 1
878 1 29 VAL MG2 1 38 VAL HB . . 5.500 3.778 3.680 3.862 . 0 0 "[ . 1 . 2]" 1
879 1 18 LEU MD2 1 53 GLU HA . . 5.500 5.455 5.290 5.504 0.004 20 0 "[ . 1 . 2]" 1
880 1 8 VAL HA 1 34 ARG HG3 . . 5.500 4.833 3.901 5.504 0.004 16 0 "[ . 1 . 2]" 1
881 1 16 LEU HB3 1 17 THR HB . . 5.360 4.978 4.930 5.063 . 0 0 "[ . 1 . 2]" 1
882 1 27 TRP HH2 1 45 LYS HG3 . . 4.550 2.773 2.160 3.132 . 0 0 "[ . 1 . 2]" 1
883 1 25 ASP HB3 1 73 PRO HD3 . . 2.550 2.233 1.999 2.457 . 0 0 "[ . 1 . 2]" 1
884 1 46 LEU QD 1 56 LEU HB3 . . 3.040 2.140 1.943 2.342 . 0 0 "[ . 1 . 2]" 1
885 1 18 LEU HG 1 55 VAL MG2 . . 4.340 3.056 2.336 3.661 . 0 0 "[ . 1 . 2]" 1
886 1 19 LEU HG 1 35 GLN HB3 . . 5.500 4.584 4.335 5.039 . 0 0 "[ . 1 . 2]" 1
887 1 12 LYS HA 1 13 GLY HA2 . . 4.420 4.375 4.369 4.396 . 0 0 "[ . 1 . 2]" 1
888 1 18 LEU MD2 1 55 VAL MG1 . . 3.580 2.007 1.745 2.469 . 0 0 "[ . 1 . 2]" 1
889 1 44 LYS H 1 44 LYS HA . . 2.910 2.837 2.812 2.869 . 0 0 "[ . 1 . 2]" 1
890 1 16 LEU MD1 1 58 LEU H . . 5.500 5.009 4.810 5.396 . 0 0 "[ . 1 . 2]" 1
891 1 1 GLY QA 1 2 ALA H . . 2.570 2.265 2.112 2.571 0.001 3 0 "[ . 1 . 2]" 1
892 1 9 THR HA 1 61 TYR H . . 5.370 4.505 4.322 4.692 . 0 0 "[ . 1 . 2]" 1
893 1 5 PRO HA 1 7 GLU H . . 5.500 5.323 5.048 5.501 0.001 9 0 "[ . 1 . 2]" 1
894 1 48 SER H 1 54 LEU MD1 . . 4.890 3.694 3.191 4.277 . 0 0 "[ . 1 . 2]" 1
895 1 20 ASN HB3 1 22 THR H . . 5.220 3.218 3.026 3.413 . 0 0 "[ . 1 . 2]" 1
896 1 23 ASN HA 1 23 ASN HD22 . . 4.600 3.851 3.590 4.175 . 0 0 "[ . 1 . 2]" 1
897 1 42 TYR H 1 42 TYR QE . . 4.840 4.550 4.481 4.634 . 0 0 "[ . 1 . 2]" 1
898 1 42 TYR H 1 59 TYR QD . . 5.070 4.100 3.990 4.205 . 0 0 "[ . 1 . 2]" 1
899 1 10 MET HA 1 61 TYR HB3 . . 5.490 4.794 4.650 4.948 . 0 0 "[ . 1 . 2]" 1
900 1 42 TYR HB3 1 59 TYR HA . . 5.500 4.945 4.812 5.061 . 0 0 "[ . 1 . 2]" 1
901 1 61 TYR HB3 1 62 GLN HA . . 5.500 4.519 4.445 4.669 . 0 0 "[ . 1 . 2]" 1
902 1 71 TYR H 1 71 TYR HB3 . . 3.930 3.274 2.819 3.388 . 0 0 "[ . 1 . 2]" 1
903 1 26 TRP HB3 1 27 TRP H . . 4.980 3.439 3.272 3.576 . 0 0 "[ . 1 . 2]" 1
904 1 40 ALA HA 1 41 ALA MB . . 5.310 4.934 4.925 4.961 . 0 0 "[ . 1 . 2]" 1
905 1 35 GLN H 1 35 GLN HG3 . . 2.800 2.304 1.928 2.691 . 0 0 "[ . 1 . 2]" 1
906 1 63 GLU HB3 1 64 SER H . . 4.220 3.442 2.225 3.814 . 0 0 "[ . 1 . 2]" 1
907 1 43 VAL HB 1 55 VAL HA . . 4.800 4.598 4.474 4.771 . 0 0 "[ . 1 . 2]" 1
908 1 44 LYS HA 1 55 VAL HB . . 4.540 4.516 4.336 4.542 0.002 19 0 "[ . 1 . 2]" 1
909 1 14 ASP HB3 1 16 LEU HG . . 5.010 3.162 2.782 3.521 . 0 0 "[ . 1 . 2]" 1
910 1 20 ASN HB3 1 28 LYS HB3 . . 3.490 3.489 3.378 3.506 0.016 19 0 "[ . 1 . 2]" 1
911 1 6 ARG HA 1 34 ARG HG3 . . 5.500 4.918 3.724 5.503 0.003 13 0 "[ . 1 . 2]" 1
912 1 45 LYS H 1 45 LYS HG3 . . 3.550 3.386 3.192 3.551 0.001 4 0 "[ . 1 . 2]" 1
913 1 19 LEU H 1 28 LYS HB3 . . 4.850 4.431 4.376 4.482 . 0 0 "[ . 1 . 2]" 1
914 1 38 VAL HA 1 39 PRO HD3 . . 2.970 2.312 2.301 2.323 . 0 0 "[ . 1 . 2]" 1
915 1 8 VAL HA 1 63 GLU HB3 . . 5.030 4.793 4.535 5.037 0.007 16 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 100
_Distance_constraint_stats_list.Viol_count 69
_Distance_constraint_stats_list.Viol_total 7.542
_Distance_constraint_stats_list.Viol_max 0.022
_Distance_constraint_stats_list.Viol_rms 0.0013
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0055
_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 8 VAL 0.184 0.022 17 0 "[ . 1 . 2]"
1 9 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 LEU 0.015 0.007 16 0 "[ . 1 . 2]"
1 17 THR 0.039 0.009 7 0 "[ . 1 . 2]"
1 18 LEU 0.055 0.010 2 0 "[ . 1 . 2]"
1 19 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 TRP 0.050 0.010 2 0 "[ . 1 . 2]"
1 28 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 VAL 0.054 0.009 7 0 "[ . 1 . 2]"
1 32 ASN 0.070 0.014 9 0 "[ . 1 . 2]"
1 33 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ARG 0.007 0.007 13 0 "[ . 1 . 2]"
1 35 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 LYS 0.001 0.001 6 0 "[ . 1 . 2]"
1 53 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 LEU 0.001 0.001 6 0 "[ . 1 . 2]"
1 55 VAL 0.005 0.002 6 0 "[ . 1 . 2]"
1 56 LEU 0.001 0.000 12 0 "[ . 1 . 2]"
1 57 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 TYR 0.001 0.000 12 0 "[ . 1 . 2]"
1 61 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLN 0.177 0.022 17 0 "[ . 1 . 2]"
1 63 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ASN 0.012 0.007 15 0 "[ . 1 . 2]"
1 68 ALA 0.001 0.001 16 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 8 VAL QG 1 9 THR H . . 3.550 2.576 2.196 2.771 . 0 0 "[ . 1 . 2]" 2
2 1 8 VAL QG 1 9 THR HA . . 3.890 3.324 3.255 3.391 . 0 0 "[ . 1 . 2]" 2
3 1 8 VAL QG 1 10 MET H . . 5.140 4.036 3.682 4.495 . 0 0 "[ . 1 . 2]" 2
4 1 8 VAL QG 1 10 MET HA . . 5.370 4.387 4.058 4.684 . 0 0 "[ . 1 . 2]" 2
5 1 8 VAL QG 1 29 VAL MG2 . . 4.690 2.434 1.854 2.793 . 0 0 "[ . 1 . 2]" 2
6 1 8 VAL QG 1 31 VAL H . . 4.380 3.190 2.836 3.761 . 0 0 "[ . 1 . 2]" 2
7 1 8 VAL QG 1 31 VAL QG . . 4.510 1.687 1.624 1.800 . 0 0 "[ . 1 . 2]" 2
8 1 8 VAL QG 1 34 ARG H . . 5.190 4.604 4.226 5.197 0.007 13 0 "[ . 1 . 2]" 2
9 1 8 VAL QG 1 34 ARG HA . . 5.440 4.647 4.358 5.094 . 0 0 "[ . 1 . 2]" 2
10 1 8 VAL QG 1 35 GLN H . . 4.950 3.852 3.209 4.206 . 0 0 "[ . 1 . 2]" 2
11 1 8 VAL QG 1 35 GLN HA . . 3.470 2.233 1.859 2.671 . 0 0 "[ . 1 . 2]" 2
12 1 8 VAL QG 1 36 GLY H . . 3.850 2.522 1.898 3.182 . 0 0 "[ . 1 . 2]" 2
13 1 8 VAL QG 1 36 GLY QA . . 3.430 2.361 1.827 2.874 . 0 0 "[ . 1 . 2]" 2
14 1 8 VAL QG 1 37 PHE H . . 5.160 3.843 3.503 4.316 . 0 0 "[ . 1 . 2]" 2
15 1 8 VAL QG 1 37 PHE HA . . 5.230 4.511 4.099 4.904 . 0 0 "[ . 1 . 2]" 2
16 1 8 VAL QG 1 38 VAL HA . . 5.440 4.590 4.080 5.024 . 0 0 "[ . 1 . 2]" 2
17 1 8 VAL QG 1 38 VAL HB . . 5.440 4.564 4.074 4.965 . 0 0 "[ . 1 . 2]" 2
18 1 8 VAL QG 1 38 VAL MG1 . . 3.050 2.289 1.847 2.696 . 0 0 "[ . 1 . 2]" 2
19 1 8 VAL QG 1 61 TYR HB3 . . 5.100 4.776 4.617 4.960 . 0 0 "[ . 1 . 2]" 2
20 1 8 VAL QG 1 61 TYR QD . . 3.720 3.603 3.496 3.716 . 0 0 "[ . 1 . 2]" 2
21 1 8 VAL QG 1 61 TYR QE . . 4.420 3.551 3.344 3.685 . 0 0 "[ . 1 . 2]" 2
22 1 8 VAL QG 1 62 GLN H . . 5.440 5.448 5.442 5.462 0.022 17 0 "[ . 1 . 2]" 2
23 1 8 VAL QG 1 62 GLN HA . . 4.860 4.428 4.244 4.606 . 0 0 "[ . 1 . 2]" 2
24 1 8 VAL QG 1 62 GLN HE21 . . 4.810 4.538 4.406 4.823 0.013 20 0 "[ . 1 . 2]" 2
25 1 8 VAL QG 1 63 GLU H . . 3.840 3.262 3.177 3.409 . 0 0 "[ . 1 . 2]" 2
26 1 8 VAL QG 1 63 GLU HB3 . . 2.400 1.905 1.767 1.978 . 0 0 "[ . 1 . 2]" 2
27 1 8 VAL QG 1 63 GLU HG3 . . 5.280 2.809 2.606 3.020 . 0 0 "[ . 1 . 2]" 2
28 1 8 VAL QG 1 66 ASP HA . . 5.010 4.227 3.619 4.833 . 0 0 "[ . 1 . 2]" 2
29 1 9 THR H 1 31 VAL QG . . 4.750 2.456 2.097 2.938 . 0 0 "[ . 1 . 2]" 2
30 1 13 GLY H 1 56 LEU QD . . 3.900 2.495 2.042 2.965 . 0 0 "[ . 1 . 2]" 2
31 1 13 GLY HA2 1 56 LEU QD . . 2.900 2.359 1.998 2.732 . 0 0 "[ . 1 . 2]" 2
32 1 14 ASP HB3 1 31 VAL QG . . 5.440 4.721 4.466 4.974 . 0 0 "[ . 1 . 2]" 2
33 1 15 ILE H 1 56 LEU QD . . 5.440 4.165 3.288 5.214 . 0 0 "[ . 1 . 2]" 2
34 1 16 LEU HA 1 31 VAL QG . . 4.200 4.006 3.532 4.198 . 0 0 "[ . 1 . 2]" 2
35 1 16 LEU HB3 1 31 VAL QG . . 3.410 2.925 2.326 3.339 . 0 0 "[ . 1 . 2]" 2
36 1 16 LEU HG 1 31 VAL QG . . 3.890 3.714 3.260 3.897 0.007 16 0 "[ . 1 . 2]" 2
37 1 17 THR H 1 31 VAL QG . . 4.940 4.850 4.411 4.949 0.009 7 0 "[ . 1 . 2]" 2
38 1 17 THR HB 1 19 LEU QD . . 4.030 2.114 1.904 2.218 . 0 0 "[ . 1 . 2]" 2
39 1 17 THR MG 1 19 LEU QD . . 3.220 1.872 1.761 1.970 . 0 0 "[ . 1 . 2]" 2
40 1 18 LEU HA 1 18 LEU QD . . 3.130 1.868 1.847 1.910 . 0 0 "[ . 1 . 2]" 2
41 1 18 LEU QD 1 19 LEU H . . 3.600 3.159 3.046 3.370 . 0 0 "[ . 1 . 2]" 2
42 1 18 LEU QD 1 19 LEU HA . . 5.440 4.031 3.896 4.193 . 0 0 "[ . 1 . 2]" 2
43 1 18 LEU QD 1 21 SER H . . 4.800 3.343 3.098 3.693 . 0 0 "[ . 1 . 2]" 2
44 1 18 LEU QD 1 21 SER HA . . 3.940 3.713 3.621 3.819 . 0 0 "[ . 1 . 2]" 2
45 1 18 LEU QD 1 27 TRP HA . . 4.340 4.290 4.173 4.350 0.010 2 0 "[ . 1 . 2]" 2
46 1 18 LEU QD 1 27 TRP HB3 . . 3.040 2.901 2.866 2.944 . 0 0 "[ . 1 . 2]" 2
47 1 18 LEU QD 1 27 TRP HE3 . . 3.230 2.467 2.224 2.816 . 0 0 "[ . 1 . 2]" 2
48 1 18 LEU QD 1 27 TRP HZ3 . . 3.300 3.095 2.801 3.305 0.005 15 0 "[ . 1 . 2]" 2
49 1 18 LEU QD 1 27 TRP HZ2 . . 4.790 4.333 4.103 4.479 . 0 0 "[ . 1 . 2]" 2
50 1 18 LEU QD 1 27 TRP HH2 . . 4.280 3.869 3.622 4.031 . 0 0 "[ . 1 . 2]" 2
51 1 18 LEU QD 1 28 LYS H . . 4.710 4.440 4.325 4.541 . 0 0 "[ . 1 . 2]" 2
52 1 18 LEU QD 1 29 VAL HA . . 4.640 4.111 4.057 4.211 . 0 0 "[ . 1 . 2]" 2
53 1 18 LEU QD 1 29 VAL MG1 . . 3.640 2.639 2.418 2.750 . 0 0 "[ . 1 . 2]" 2
54 1 18 LEU QD 1 45 LYS HA . . 5.440 4.363 4.185 4.526 . 0 0 "[ . 1 . 2]" 2
55 1 18 LEU QD 1 45 LYS HG3 . . 3.850 3.243 2.571 3.671 . 0 0 "[ . 1 . 2]" 2
56 1 18 LEU QD 1 53 GLU HA . . 4.590 3.618 3.185 3.980 . 0 0 "[ . 1 . 2]" 2
57 1 18 LEU QD 1 53 GLU HB3 . . 3.700 2.154 1.978 2.475 . 0 0 "[ . 1 . 2]" 2
58 1 18 LEU QD 1 54 LEU H . . 4.870 4.383 3.937 4.684 . 0 0 "[ . 1 . 2]" 2
59 1 18 LEU QD 1 55 VAL MG1 . . 2.370 1.980 1.741 2.372 0.002 6 0 "[ . 1 . 2]" 2
60 1 18 LEU QD 1 55 VAL MG2 . . 4.190 1.844 1.770 1.935 . 0 0 "[ . 1 . 2]" 2
61 1 19 LEU H 1 19 LEU QD . . 4.220 2.162 2.042 2.245 . 0 0 "[ . 1 . 2]" 2
62 1 19 LEU HA 1 19 LEU QD . . 2.870 2.197 2.171 2.237 . 0 0 "[ . 1 . 2]" 2
63 1 19 LEU HB3 1 19 LEU QD . . 3.050 2.318 2.288 2.348 . 0 0 "[ . 1 . 2]" 2
64 1 19 LEU QD 1 20 ASN H . . 5.390 3.518 3.502 3.548 . 0 0 "[ . 1 . 2]" 2
65 1 19 LEU QD 1 28 LYS HB3 . . 4.600 3.438 3.294 3.531 . 0 0 "[ . 1 . 2]" 2
66 1 19 LEU QD 1 28 LYS HG3 . . 4.080 3.701 3.540 3.842 . 0 0 "[ . 1 . 2]" 2
67 1 19 LEU QD 1 29 VAL HA . . 4.200 2.419 2.322 2.560 . 0 0 "[ . 1 . 2]" 2
68 1 19 LEU QD 1 30 GLU HA . . 4.480 2.516 2.446 2.581 . 0 0 "[ . 1 . 2]" 2
69 1 19 LEU QD 1 35 GLN H . . 5.440 4.905 4.521 5.364 . 0 0 "[ . 1 . 2]" 2
70 1 19 LEU QD 1 35 GLN HB3 . . 2.560 2.011 1.818 2.299 . 0 0 "[ . 1 . 2]" 2
71 1 19 LEU QD 1 35 GLN QE . . 3.850 3.114 1.826 3.699 . 0 0 "[ . 1 . 2]" 2
72 1 19 LEU QD 1 36 GLY H . . 4.820 3.184 2.937 3.657 . 0 0 "[ . 1 . 2]" 2
73 1 30 GLU HA 1 31 VAL QG . . 4.150 3.339 2.883 3.638 . 0 0 "[ . 1 . 2]" 2
74 1 31 VAL H 1 31 VAL QG . . 3.540 2.636 1.802 3.066 . 0 0 "[ . 1 . 2]" 2
75 1 31 VAL HA 1 31 VAL QG . . 3.110 2.060 1.934 2.125 . 0 0 "[ . 1 . 2]" 2
76 1 31 VAL QG 1 32 ASN HA . . 5.440 4.499 4.213 4.865 . 0 0 "[ . 1 . 2]" 2
77 1 31 VAL QG 1 32 ASN QD . . 3.740 2.175 1.638 3.339 . 0 0 "[ . 1 . 2]" 2
78 1 31 VAL QG 1 33 ASP H . . 3.590 3.299 2.388 3.573 . 0 0 "[ . 1 . 2]" 2
79 1 31 VAL QG 1 34 ARG H . . 4.280 3.140 2.155 3.534 . 0 0 "[ . 1 . 2]" 2
80 1 32 ASN H 1 32 ASN QD . . 3.480 3.119 1.893 3.494 0.014 9 0 "[ . 1 . 2]" 2
81 1 44 LYS H 1 56 LEU QD . . 4.900 4.207 3.985 4.393 . 0 0 "[ . 1 . 2]" 2
82 1 48 SER H 1 54 LEU QD . . 4.090 3.558 3.086 4.021 . 0 0 "[ . 1 . 2]" 2
83 1 50 THR MG 1 51 GLY QA . . 5.340 3.689 3.243 5.093 . 0 0 "[ . 1 . 2]" 2
84 1 50 THR MG 1 54 LEU QD . . 5.440 4.159 3.203 5.289 . 0 0 "[ . 1 . 2]" 2
85 1 52 LYS H 1 54 LEU QD . . 4.670 4.209 3.349 4.671 0.001 6 0 "[ . 1 . 2]" 2
86 1 54 LEU H 1 54 LEU QD . . 2.390 2.175 1.849 2.390 0.000 7 0 "[ . 1 . 2]" 2
87 1 54 LEU HA 1 54 LEU QD . . 3.940 3.322 3.109 3.412 . 0 0 "[ . 1 . 2]" 2
88 1 56 LEU H 1 56 LEU QD . . 4.950 3.607 3.566 3.673 . 0 0 "[ . 1 . 2]" 2
89 1 56 LEU HA 1 56 LEU QD . . 3.360 2.503 1.928 3.159 . 0 0 "[ . 1 . 2]" 2
90 1 56 LEU HB3 1 56 LEU QD . . 2.960 2.072 1.926 2.152 . 0 0 "[ . 1 . 2]" 2
91 1 56 LEU QD 1 57 ALA H . . 3.080 2.175 1.659 2.847 . 0 0 "[ . 1 . 2]" 2
92 1 56 LEU QD 1 58 LEU H . . 4.470 3.236 2.956 3.532 . 0 0 "[ . 1 . 2]" 2
93 1 56 LEU QD 1 58 LEU HA . . 5.410 2.765 2.581 2.911 . 0 0 "[ . 1 . 2]" 2
94 1 56 LEU QD 1 58 LEU MD2 . . 4.600 2.038 1.770 2.325 . 0 0 "[ . 1 . 2]" 2
95 1 56 LEU QD 1 59 TYR H . . 4.970 4.784 4.546 4.970 0.000 12 0 "[ . 1 . 2]" 2
96 1 65 GLY H 1 65 GLY QA . . 2.300 2.221 2.196 2.271 . 0 0 "[ . 1 . 2]" 2
97 1 65 GLY QA 1 67 ASN H . . 5.340 4.838 4.817 4.850 . 0 0 "[ . 1 . 2]" 2
98 1 67 ASN H 1 67 ASN QD . . 4.210 3.821 3.017 4.217 0.007 15 0 "[ . 1 . 2]" 2
99 1 67 ASN HA 1 67 ASN QD . . 4.500 2.396 1.887 4.113 . 0 0 "[ . 1 . 2]" 2
100 1 67 ASN QD 1 68 ALA H . . 3.870 3.447 2.963 3.871 0.001 16 0 "[ . 1 . 2]" 2
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