NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
617449 |
5mrg   |
34081 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5mrg
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 1030
_Distance_constraint_stats_list.Viol_count 1627
_Distance_constraint_stats_list.Viol_total 1316.101
_Distance_constraint_stats_list.Viol_max 0.331
_Distance_constraint_stats_list.Viol_rms 0.0147
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0032
_Distance_constraint_stats_list.Viol_average_violations_only 0.0404
_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 3 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 SER 0.001 0.001 11 0 "[ . 1 . 2]"
1 15 GLU 0.247 0.018 16 0 "[ . 1 . 2]"
1 16 TYR 1.142 0.136 3 0 "[ . 1 . 2]"
1 17 ILE 3.377 0.109 16 0 "[ . 1 . 2]"
1 18 ARG 1.353 0.136 3 0 "[ . 1 . 2]"
1 19 VAL 5.666 0.161 16 0 "[ . 1 . 2]"
1 20 THR 1.944 0.170 16 0 "[ . 1 . 2]"
1 21 GLU 0.046 0.017 4 0 "[ . 1 . 2]"
1 22 ASP 0.010 0.010 11 0 "[ . 1 . 2]"
1 23 GLU 0.493 0.036 19 0 "[ . 1 . 2]"
1 24 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLU 0.151 0.056 19 0 "[ . 1 . 2]"
1 27 PRO 1.407 0.102 20 0 "[ . 1 . 2]"
1 28 ILE 6.270 0.331 20 0 "[ . 1 . 2]"
1 29 GLU 0.390 0.151 19 0 "[ . 1 . 2]"
1 30 ILE 4.626 0.148 19 0 "[ . 1 . 2]"
1 31 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 SER 0.205 0.030 1 0 "[ . 1 . 2]"
1 33 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ASP 0.139 0.019 8 0 "[ . 1 . 2]"
1 36 GLY 0.386 0.019 8 0 "[ . 1 . 2]"
1 37 THR 1.564 0.063 18 0 "[ . 1 . 2]"
1 38 VAL 2.411 0.095 13 0 "[ . 1 . 2]"
1 39 LEU 0.645 0.055 17 0 "[ . 1 . 2]"
1 40 LEU 4.674 0.131 13 0 "[ . 1 . 2]"
1 41 SER 0.111 0.031 17 0 "[ . 1 . 2]"
1 42 THR 1.148 0.081 12 0 "[ . 1 . 2]"
1 43 VAL 5.279 0.115 3 0 "[ . 1 . 2]"
1 44 THR 2.187 0.135 16 0 "[ . 1 . 2]"
1 45 ALA 0.023 0.012 20 0 "[ . 1 . 2]"
1 46 GLN 4.361 0.331 20 0 "[ . 1 . 2]"
1 47 PHE 5.154 0.148 19 0 "[ . 1 . 2]"
1 48 PRO 0.431 0.034 15 0 "[ . 1 . 2]"
1 49 GLY 0.282 0.096 9 0 "[ . 1 . 2]"
1 50 ALA 2.576 0.135 16 0 "[ . 1 . 2]"
1 51 CYS 1.729 0.118 11 0 "[ . 1 . 2]"
1 52 GLY 1.547 0.100 19 0 "[ . 1 . 2]"
1 53 LEU 3.606 0.193 17 0 "[ . 1 . 2]"
1 54 ARG 1.251 0.127 2 0 "[ . 1 . 2]"
1 55 TYR 10.190 0.183 2 0 "[ . 1 . 2]"
1 56 ARG 2.840 0.108 17 0 "[ . 1 . 2]"
1 57 ASN 1.906 0.108 17 0 "[ . 1 . 2]"
1 58 PRO 2.042 0.095 13 0 "[ . 1 . 2]"
1 59 VAL 0.002 0.001 20 0 "[ . 1 . 2]"
1 60 SER 1.754 0.095 13 0 "[ . 1 . 2]"
1 61 GLN 0.001 0.001 18 0 "[ . 1 . 2]"
1 62 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ARG 0.620 0.088 17 0 "[ . 1 . 2]"
1 65 GLY 1.749 0.124 12 0 "[ . 1 . 2]"
1 66 VAL 2.331 0.193 17 0 "[ . 1 . 2]"
1 67 ARG 0.040 0.008 1 0 "[ . 1 . 2]"
1 68 LEU 2.346 0.100 19 0 "[ . 1 . 2]"
1 69 VAL 1.124 0.071 19 0 "[ . 1 . 2]"
1 70 GLU 0.003 0.003 16 0 "[ . 1 . 2]"
1 71 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ILE 4.062 0.131 13 0 "[ . 1 . 2]"
1 73 LEU 1.782 0.068 6 0 "[ . 1 . 2]"
1 74 HIS 4.425 0.156 14 0 "[ . 1 . 2]"
1 75 ALA 4.128 0.156 14 0 "[ . 1 . 2]"
1 76 PRO 1.731 0.062 2 0 "[ . 1 . 2]"
1 77 ASP 0.640 0.049 20 0 "[ . 1 . 2]"
1 78 ALA 1.410 0.101 2 0 "[ . 1 . 2]"
1 79 GLY 2.146 0.101 2 0 "[ . 1 . 2]"
1 80 TRP 3.159 0.103 1 0 "[ . 1 . 2]"
1 81 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ASN 0.357 0.048 19 0 "[ . 1 . 2]"
1 83 LEU 2.249 0.183 2 0 "[ . 1 . 2]"
1 84 VAL 0.614 0.131 2 0 "[ . 1 . 2]"
1 85 TYR 3.868 0.144 17 0 "[ . 1 . 2]"
1 86 VAL 1.302 0.091 8 0 "[ . 1 . 2]"
1 87 VAL 0.734 0.091 8 0 "[ . 1 . 2]"
1 88 ASN 2.101 0.118 11 0 "[ . 1 . 2]"
1 89 TYR 0.415 0.096 9 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 18 ARG H 1 18 ARG HB3 . . 4.010 3.479 3.397 3.665 . 0 0 "[ . 1 . 2]" 1
2 1 54 ARG H 1 66 VAL MG2 . . 5.470 4.354 4.250 4.578 . 0 0 "[ . 1 . 2]" 1
3 1 47 PHE HA 1 47 PHE QD . . 3.390 2.461 2.405 2.546 . 0 0 "[ . 1 . 2]" 1
4 1 30 ILE H 1 30 ILE HG12 . . 4.050 2.735 2.553 2.789 . 0 0 "[ . 1 . 2]" 1
5 1 53 LEU HA 1 54 ARG H . . 3.390 2.223 2.209 2.234 . 0 0 "[ . 1 . 2]" 1
6 1 68 LEU HA 1 69 VAL H . . 3.000 2.143 2.139 2.181 . 0 0 "[ . 1 . 2]" 1
7 1 16 TYR HA 1 17 ILE H . . 3.370 2.589 2.509 2.602 . 0 0 "[ . 1 . 2]" 1
8 1 19 VAL HA 1 20 THR H . . 3.300 2.319 2.254 2.461 . 0 0 "[ . 1 . 2]" 1
9 1 54 ARG HA 1 66 VAL H . . 4.440 2.919 2.784 3.071 . 0 0 "[ . 1 . 2]" 1
10 1 88 ASN HA 1 89 TYR H . . 3.540 2.195 2.139 2.278 . 0 0 "[ . 1 . 2]" 1
11 1 87 VAL HA 1 88 ASN H . . 3.180 2.330 2.211 2.391 . 0 0 "[ . 1 . 2]" 1
12 1 86 VAL HA 1 87 VAL H . . 3.070 2.147 2.140 2.178 . 0 0 "[ . 1 . 2]" 1
13 1 53 LEU HA 1 88 ASN H . . 4.420 3.814 3.626 3.944 . 0 0 "[ . 1 . 2]" 1
14 1 29 GLU HA 1 30 ILE H . . 3.290 2.161 2.140 2.181 . 0 0 "[ . 1 . 2]" 1
15 1 27 PRO HA 1 28 ILE H . . 3.110 2.204 2.167 2.244 . 0 0 "[ . 1 . 2]" 1
16 1 66 VAL HA 1 67 ARG H . . 3.490 2.147 2.140 2.177 . 0 0 "[ . 1 . 2]" 1
17 1 40 LEU H 1 72 ILE HA . . 4.110 2.872 2.802 2.923 . 0 0 "[ . 1 . 2]" 1
18 1 37 THR HB 1 38 VAL H . . 3.350 1.936 1.928 1.949 . 0 0 "[ . 1 . 2]" 1
19 1 83 LEU HA 1 84 VAL H . . 3.210 2.647 2.636 2.735 . 0 0 "[ . 1 . 2]" 1
20 1 16 TYR HA 1 32 SER H . . 4.000 2.513 2.287 2.795 . 0 0 "[ . 1 . 2]" 1
21 1 18 ARG H 1 18 ARG HB2 . . 3.990 2.392 2.355 2.470 . 0 0 "[ . 1 . 2]" 1
22 1 18 ARG HA 1 19 VAL H . . 3.280 2.166 2.163 2.169 . 0 0 "[ . 1 . 2]" 1
23 1 56 ARG H 1 85 TYR HA . . 4.860 3.143 3.037 3.231 . 0 0 "[ . 1 . 2]" 1
24 1 17 ILE H 1 17 ILE MD . . 4.960 4.612 4.576 4.628 . 0 0 "[ . 1 . 2]" 1
25 1 17 ILE MD 1 19 VAL H . . 5.330 4.599 4.519 4.675 . 0 0 "[ . 1 . 2]" 1
26 1 17 ILE H 1 17 ILE MG . . 4.140 1.935 1.882 1.980 . 0 0 "[ . 1 . 2]" 1
27 1 17 ILE HG12 1 19 VAL H . . 3.980 3.469 3.429 3.510 . 0 0 "[ . 1 . 2]" 1
28 1 68 LEU HA 1 72 ILE H . . 5.500 5.204 5.153 5.350 . 0 0 "[ . 1 . 2]" 1
29 1 72 ILE H 1 73 LEU HA . . 5.500 5.293 5.268 5.313 . 0 0 "[ . 1 . 2]" 1
30 1 72 ILE H 1 72 ILE HB . . 3.400 2.493 2.481 2.515 . 0 0 "[ . 1 . 2]" 1
31 1 72 ILE H 1 72 ILE HG13 . . 4.110 2.678 2.635 2.796 . 0 0 "[ . 1 . 2]" 1
32 1 72 ILE H 1 72 ILE MG . . 4.270 3.771 3.768 3.777 . 0 0 "[ . 1 . 2]" 1
33 1 20 THR H 1 27 PRO HA . . 4.030 3.600 3.513 3.809 . 0 0 "[ . 1 . 2]" 1
34 1 20 THR HA 1 47 PHE HZ . . 4.250 3.675 3.479 3.850 . 0 0 "[ . 1 . 2]" 1
35 1 20 THR HA 1 47 PHE QE . . 4.360 3.630 3.448 3.769 . 0 0 "[ . 1 . 2]" 1
36 1 20 THR HA 1 85 TYR QD . . 4.640 3.473 3.304 3.595 . 0 0 "[ . 1 . 2]" 1
37 1 47 PHE HA 1 47 PHE QE . . 5.010 4.714 4.670 4.775 . 0 0 "[ . 1 . 2]" 1
38 1 85 TYR HA 1 85 TYR QD . . 4.070 3.537 3.516 3.569 . 0 0 "[ . 1 . 2]" 1
39 1 85 TYR HA 1 86 VAL H . . 3.210 2.252 2.247 2.257 . 0 0 "[ . 1 . 2]" 1
40 1 73 LEU H 1 73 LEU HB2 . . 3.820 2.289 2.274 2.301 . 0 0 "[ . 1 . 2]" 1
41 1 67 ARG H 1 67 ARG QG . . 4.590 3.973 3.945 3.991 . 0 0 "[ . 1 . 2]" 1
42 1 73 LEU H 1 73 LEU HG . . 4.070 3.965 3.944 4.010 . 0 0 "[ . 1 . 2]" 1
43 1 54 ARG H 1 86 VAL MG1 . . 4.370 4.345 4.267 4.393 0.023 2 0 "[ . 1 . 2]" 1
44 1 55 TYR HB3 1 56 ARG H . . 3.880 3.561 3.530 3.588 . 0 0 "[ . 1 . 2]" 1
45 1 20 THR HA 1 28 ILE H . . 4.650 2.990 2.900 3.070 . 0 0 "[ . 1 . 2]" 1
46 1 17 ILE MD 1 80 TRP HZ2 . . 4.770 3.620 3.478 3.699 . 0 0 "[ . 1 . 2]" 1
47 1 17 ILE MD 1 80 TRP HD1 . . 4.970 4.798 4.738 4.867 . 0 0 "[ . 1 . 2]" 1
48 1 17 ILE MG 1 80 TRP HD1 . . 4.630 4.415 4.310 4.518 . 0 0 "[ . 1 . 2]" 1
49 1 17 ILE MG 1 80 TRP HZ2 . . 4.890 4.509 4.400 4.611 . 0 0 "[ . 1 . 2]" 1
50 1 75 ALA MB 1 80 TRP HZ2 . . 4.170 3.270 3.213 3.305 . 0 0 "[ . 1 . 2]" 1
51 1 43 VAL H 1 44 THR H . . 3.750 2.702 2.586 2.804 . 0 0 "[ . 1 . 2]" 1
52 1 44 THR H 1 45 ALA H . . 3.950 2.489 2.436 2.618 . 0 0 "[ . 1 . 2]" 1
53 1 33 GLU H 1 38 VAL HA . . 4.140 2.589 2.329 2.768 . 0 0 "[ . 1 . 2]" 1
54 1 43 VAL HA 1 47 PHE H . . 4.720 3.939 3.821 3.987 . 0 0 "[ . 1 . 2]" 1
55 1 84 VAL HA 1 85 TYR H . . 3.140 2.352 2.308 2.371 . 0 0 "[ . 1 . 2]" 1
56 1 48 PRO HA 1 50 ALA H . . 5.120 3.657 3.602 3.700 . 0 0 "[ . 1 . 2]" 1
57 1 55 TYR H 1 55 TYR QD . . 3.890 3.966 3.941 3.992 0.102 2 0 "[ . 1 . 2]" 1
58 1 85 TYR H 1 85 TYR QD . . 3.730 3.033 2.910 3.091 . 0 0 "[ . 1 . 2]" 1
59 1 54 ARG H 1 85 TYR QD . . 4.870 2.170 2.151 2.200 . 0 0 "[ . 1 . 2]" 1
60 1 85 TYR QD 1 86 VAL H . . 5.350 2.762 2.690 2.847 . 0 0 "[ . 1 . 2]" 1
61 1 38 VAL MG1 1 39 LEU H . . 4.320 2.388 2.171 2.625 . 0 0 "[ . 1 . 2]" 1
62 1 68 LEU MD2 1 73 LEU H . . 5.500 3.419 3.225 3.503 . 0 0 "[ . 1 . 2]" 1
63 1 19 VAL H 1 19 VAL MG2 . . 4.260 2.255 2.105 2.376 . 0 0 "[ . 1 . 2]" 1
64 1 68 LEU MD2 1 72 ILE H . . 3.740 3.044 2.892 3.167 . 0 0 "[ . 1 . 2]" 1
65 1 40 LEU H 1 72 ILE MG . . 4.300 4.260 4.212 4.303 0.003 10 0 "[ . 1 . 2]" 1
66 1 69 VAL H 1 73 LEU MD2 . . 4.800 4.474 4.373 4.557 . 0 0 "[ . 1 . 2]" 1
67 1 19 VAL MG1 1 20 THR H . . 4.510 3.495 3.297 3.611 . 0 0 "[ . 1 . 2]" 1
68 1 20 THR H 1 84 VAL MG2 . . 4.890 4.147 4.029 4.410 . 0 0 "[ . 1 . 2]" 1
69 1 38 VAL H 1 38 VAL MG2 . . 4.530 3.057 3.023 3.104 . 0 0 "[ . 1 . 2]" 1
70 1 37 THR MG 1 74 HIS H . . 4.670 4.126 4.060 4.231 . 0 0 "[ . 1 . 2]" 1
71 1 37 THR MG 1 38 VAL H . . 5.040 3.609 3.600 3.617 . 0 0 "[ . 1 . 2]" 1
72 1 84 VAL H 1 84 VAL MG1 . . 4.290 3.823 3.819 3.835 . 0 0 "[ . 1 . 2]" 1
73 1 83 LEU HB3 1 84 VAL H . . 4.200 3.375 3.356 3.579 . 0 0 "[ . 1 . 2]" 1
74 1 83 LEU MD1 1 84 VAL H . . 4.520 4.434 3.334 4.500 . 0 0 "[ . 1 . 2]" 1
75 1 87 VAL HB 1 88 ASN H . . 4.340 2.861 2.411 3.702 . 0 0 "[ . 1 . 2]" 1
76 1 67 ARG QG 1 74 HIS H . . 4.540 3.427 3.059 4.001 . 0 0 "[ . 1 . 2]" 1
77 1 73 LEU HB3 1 74 HIS H . . 4.950 3.628 3.527 3.756 . 0 0 "[ . 1 . 2]" 1
78 1 17 ILE H 1 30 ILE HG13 . . 5.020 3.537 3.461 3.617 . 0 0 "[ . 1 . 2]" 1
79 1 17 ILE HG13 1 18 ARG H . . 4.430 2.873 2.718 2.980 . 0 0 "[ . 1 . 2]" 1
80 1 40 LEU H 1 72 ILE HG13 . . 3.580 3.127 3.035 3.194 . 0 0 "[ . 1 . 2]" 1
81 1 53 LEU HB3 1 54 ARG H . . 4.320 2.950 2.906 3.003 . 0 0 "[ . 1 . 2]" 1
82 1 86 VAL H 1 86 VAL HB . . 3.660 2.578 2.530 2.629 . 0 0 "[ . 1 . 2]" 1
83 1 84 VAL H 1 84 VAL MG2 . . 4.290 2.270 2.186 2.391 . 0 0 "[ . 1 . 2]" 1
84 1 54 ARG HB2 1 55 TYR H . . 4.230 3.994 3.947 4.042 . 0 0 "[ . 1 . 2]" 1
85 1 27 PRO HB2 1 28 ILE H . . 4.080 3.960 3.826 4.057 . 0 0 "[ . 1 . 2]" 1
86 1 44 THR MG 1 49 GLY H . . 4.730 3.071 2.609 3.291 . 0 0 "[ . 1 . 2]" 1
87 1 53 LEU H 1 53 LEU HG . . 4.340 4.158 4.126 4.205 . 0 0 "[ . 1 . 2]" 1
88 1 44 THR H 1 50 ALA MB . . 5.500 5.568 5.510 5.635 0.135 16 0 "[ . 1 . 2]" 1
89 1 31 PRO QB 1 32 SER H . . 4.550 3.327 3.032 3.590 . 0 0 "[ . 1 . 2]" 1
90 1 38 VAL H 1 73 LEU HB2 . . 4.380 3.405 3.350 3.453 . 0 0 "[ . 1 . 2]" 1
91 1 73 LEU HB2 1 74 HIS H . . 4.640 4.444 4.406 4.484 . 0 0 "[ . 1 . 2]" 1
92 1 40 LEU H 1 72 ILE HB . . 5.500 5.432 5.387 5.463 . 0 0 "[ . 1 . 2]" 1
93 1 33 GLU QG 1 37 THR H . . 5.500 5.123 4.413 5.426 . 0 0 "[ . 1 . 2]" 1
94 1 20 THR HB 1 28 ILE H . . 4.380 2.786 2.641 2.898 . 0 0 "[ . 1 . 2]" 1
95 1 39 LEU HA 1 73 LEU H . . 4.510 4.158 4.099 4.233 . 0 0 "[ . 1 . 2]" 1
96 1 51 CYS H 1 88 ASN HA . . 5.500 5.586 5.570 5.618 0.118 11 0 "[ . 1 . 2]" 1
97 1 38 VAL HA 1 39 LEU H . . 3.280 2.169 2.147 2.211 . 0 0 "[ . 1 . 2]" 1
98 1 31 PRO HA 1 32 SER H . . 3.420 2.178 2.154 2.209 . 0 0 "[ . 1 . 2]" 1
99 1 47 PHE H 1 47 PHE QD . . 3.970 3.253 3.188 3.364 . 0 0 "[ . 1 . 2]" 1
100 1 18 ARG H 1 80 TRP HE3 . . 5.310 5.107 4.955 5.272 . 0 0 "[ . 1 . 2]" 1
101 1 80 TRP HD1 1 81 GLY H . . 5.340 4.602 4.485 4.740 . 0 0 "[ . 1 . 2]" 1
102 1 74 HIS HE1 1 75 ALA H . . 4.070 4.204 4.174 4.226 0.156 14 0 "[ . 1 . 2]" 1
103 1 69 VAL H 1 72 ILE H . . 3.950 3.679 3.612 3.732 . 0 0 "[ . 1 . 2]" 1
104 1 38 VAL H 1 73 LEU H . . 4.360 3.203 3.098 3.260 . 0 0 "[ . 1 . 2]" 1
105 1 19 VAL H 1 28 ILE H . . 4.110 3.886 3.624 3.980 . 0 0 "[ . 1 . 2]" 1
106 1 17 ILE H 1 30 ILE H . . 4.330 3.143 2.981 3.373 . 0 0 "[ . 1 . 2]" 1
107 1 64 ARG HD2 1 65 GLY H . . 4.570 3.455 2.733 4.573 0.003 14 0 "[ . 1 . 2]" 1
108 1 42 THR H 1 43 VAL MG2 . . 4.520 4.472 4.387 4.521 0.001 20 0 "[ . 1 . 2]" 1
109 1 42 THR H 1 42 THR MG . . 4.350 3.773 3.767 3.777 . 0 0 "[ . 1 . 2]" 1
110 1 30 ILE HG12 1 47 PHE HZ . . 4.100 4.183 4.145 4.248 0.148 19 0 "[ . 1 . 2]" 1
111 1 42 THR MG 1 43 VAL H . . 4.400 3.539 3.341 3.746 . 0 0 "[ . 1 . 2]" 1
112 1 19 VAL MG2 1 47 PHE HZ . . 3.700 2.601 2.409 2.786 . 0 0 "[ . 1 . 2]" 1
113 1 19 VAL MG2 1 47 PHE QE . . 3.500 2.629 2.416 2.905 . 0 0 "[ . 1 . 2]" 1
114 1 19 VAL MG2 1 85 TYR QD . . 3.880 2.795 2.702 2.932 . 0 0 "[ . 1 . 2]" 1
115 1 55 TYR QD 1 83 LEU MD2 . . 4.780 2.806 2.591 2.866 . 0 0 "[ . 1 . 2]" 1
116 1 28 ILE MG 1 47 PHE HZ . . 4.230 2.295 2.195 2.369 . 0 0 "[ . 1 . 2]" 1
117 1 38 VAL MG2 1 80 TRP HH2 . . 4.810 3.490 3.422 3.551 . 0 0 "[ . 1 . 2]" 1
118 1 38 VAL MG2 1 80 TRP HZ2 . . 4.370 2.043 2.008 2.102 . 0 0 "[ . 1 . 2]" 1
119 1 37 THR MG 1 80 TRP HZ2 . . 4.410 4.280 4.208 4.424 0.014 16 0 "[ . 1 . 2]" 1
120 1 28 ILE MG 1 47 PHE QE . . 4.170 2.527 2.448 2.619 . 0 0 "[ . 1 . 2]" 1
121 1 28 ILE MG 1 46 GLN H . . 5.500 5.556 5.355 5.671 0.171 7 0 "[ . 1 . 2]" 1
122 1 83 LEU H 1 83 LEU MD2 . . 4.740 1.841 1.830 1.851 . 0 0 "[ . 1 . 2]" 1
123 1 55 TYR QD 1 66 VAL MG2 . . 3.440 2.864 2.734 3.055 . 0 0 "[ . 1 . 2]" 1
124 1 55 TYR QD 1 83 LEU HG . . 3.830 2.321 2.238 3.405 . 0 0 "[ . 1 . 2]" 1
125 1 66 VAL MG1 1 80 TRP HH2 . . 3.230 2.350 2.177 2.533 . 0 0 "[ . 1 . 2]" 1
126 1 55 TYR QE 1 64 ARG QG . . 4.760 4.730 4.522 4.848 0.088 17 0 "[ . 1 . 2]" 1
127 1 73 LEU HB3 1 80 TRP HH2 . . 3.630 1.992 1.980 2.025 . 0 0 "[ . 1 . 2]" 1
128 1 38 VAL HB 1 80 TRP HH2 . . 4.360 3.493 3.414 3.531 . 0 0 "[ . 1 . 2]" 1
129 1 53 LEU HG 1 85 TYR QE . . 4.220 3.790 3.703 3.851 . 0 0 "[ . 1 . 2]" 1
130 1 85 TYR QE 1 87 VAL HB . . 4.700 3.983 3.764 4.427 . 0 0 "[ . 1 . 2]" 1
131 1 50 ALA MB 1 85 TYR QE . . 3.980 3.516 3.090 3.814 . 0 0 "[ . 1 . 2]" 1
132 1 38 VAL HB 1 80 TRP HZ2 . . 4.000 3.024 2.889 3.105 . 0 0 "[ . 1 . 2]" 1
133 1 47 PHE QD 1 50 ALA MB . . 4.160 3.598 3.565 3.629 . 0 0 "[ . 1 . 2]" 1
134 1 17 ILE HB 1 80 TRP HD1 . . 5.220 3.252 3.173 3.352 . 0 0 "[ . 1 . 2]" 1
135 1 46 GLN HB2 1 47 PHE QD . . 4.180 3.222 3.002 4.228 0.048 16 0 "[ . 1 . 2]" 1
136 1 46 GLN HB2 1 47 PHE HZ . . 4.780 3.780 3.673 4.462 . 0 0 "[ . 1 . 2]" 1
137 1 46 GLN HB3 1 47 PHE QD . . 4.750 3.854 3.024 4.060 . 0 0 "[ . 1 . 2]" 1
138 1 64 ARG HE 1 76 PRO QB . . 4.460 2.159 1.872 2.876 . 0 0 "[ . 1 . 2]" 1
139 1 16 TYR QD 1 18 ARG HG3 . . 4.180 2.892 2.117 3.268 . 0 0 "[ . 1 . 2]" 1
140 1 16 TYR QD 1 29 GLU HB3 . . 4.680 4.525 3.085 4.693 0.013 18 0 "[ . 1 . 2]" 1
141 1 16 TYR QD 1 18 ARG HG2 . . 4.180 4.033 3.329 4.190 0.010 5 0 "[ . 1 . 2]" 1
142 1 55 TYR QE 1 76 PRO QB . . 4.030 3.236 3.151 3.284 . 0 0 "[ . 1 . 2]" 1
143 1 19 VAL HB 1 47 PHE HZ . . 4.870 4.483 4.023 4.640 . 0 0 "[ . 1 . 2]" 1
144 1 19 VAL HB 1 85 TYR QD . . 3.610 2.049 1.972 2.210 . 0 0 "[ . 1 . 2]" 1
145 1 55 TYR QD 1 83 LEU MD1 . . 4.780 3.414 1.756 3.517 . 0 0 "[ . 1 . 2]" 1
146 1 73 LEU HB2 1 80 TRP HH2 . . 4.040 2.978 2.897 3.028 . 0 0 "[ . 1 . 2]" 1
147 1 28 ILE HB 1 47 PHE HZ . . 5.090 4.960 4.852 5.062 . 0 0 "[ . 1 . 2]" 1
148 1 28 ILE HB 1 47 PHE QE . . 4.620 4.616 4.487 4.649 0.029 10 0 "[ . 1 . 2]" 1
149 1 67 ARG HE 1 69 VAL HB . . 3.700 2.812 2.610 3.044 . 0 0 "[ . 1 . 2]" 1
150 1 21 GLU HB2 1 47 PHE QD . . 4.110 3.168 2.970 3.387 . 0 0 "[ . 1 . 2]" 1
151 1 21 GLU HB2 1 47 PHE QE . . 4.110 3.216 3.108 3.355 . 0 0 "[ . 1 . 2]" 1
152 1 43 VAL H 1 43 VAL HB . . 3.350 2.313 2.288 2.344 . 0 0 "[ . 1 . 2]" 1
153 1 21 GLU HB2 1 85 TYR QE . . 4.280 2.825 2.508 3.010 . 0 0 "[ . 1 . 2]" 1
154 1 16 TYR QD 1 18 ARG HB3 . . 5.210 5.180 4.936 5.250 0.040 20 0 "[ . 1 . 2]" 1
155 1 55 TYR QE 1 76 PRO HG2 . . 4.510 3.791 3.733 3.822 . 0 0 "[ . 1 . 2]" 1
156 1 73 LEU HB2 1 80 TRP HZ2 . . 4.570 3.898 3.783 3.983 . 0 0 "[ . 1 . 2]" 1
157 1 21 GLU HB3 1 85 TYR QE . . 4.830 4.313 4.041 4.504 . 0 0 "[ . 1 . 2]" 1
158 1 16 TYR QD 1 18 ARG HB2 . . 3.780 3.759 3.599 3.916 0.136 3 0 "[ . 1 . 2]" 1
159 1 55 TYR QE 1 76 PRO HG3 . . 4.330 2.280 2.178 2.350 . 0 0 "[ . 1 . 2]" 1
160 1 16 TYR QD 1 29 GLU HB2 . . 4.680 3.747 3.217 4.692 0.012 15 0 "[ . 1 . 2]" 1
161 1 53 LEU HB3 1 85 TYR QD . . 4.740 2.218 2.168 2.246 . 0 0 "[ . 1 . 2]" 1
162 1 64 ARG QB 1 64 ARG HE . . 4.600 3.754 2.663 4.227 . 0 0 "[ . 1 . 2]" 1
163 1 55 TYR QD 1 76 PRO QB . . 4.520 4.331 4.259 4.448 . 0 0 "[ . 1 . 2]" 1
164 1 21 GLU HG2 1 85 TYR QD . . 5.050 4.858 4.623 5.064 0.014 4 0 "[ . 1 . 2]" 1
165 1 21 GLU HG3 1 47 PHE QE . . 5.500 4.839 4.703 4.963 . 0 0 "[ . 1 . 2]" 1
166 1 76 PRO HD3 1 80 TRP HE3 . . 4.770 4.346 4.238 4.566 . 0 0 "[ . 1 . 2]" 1
167 1 21 GLU HG2 1 85 TYR QE . . 4.330 3.773 3.591 3.981 . 0 0 "[ . 1 . 2]" 1
168 1 47 PHE HB3 1 85 TYR QE . . 4.620 4.054 3.884 4.154 . 0 0 "[ . 1 . 2]" 1
169 1 52 GLY H 1 88 ASN HB2 . . 5.370 4.138 2.955 5.034 . 0 0 "[ . 1 . 2]" 1
170 1 52 GLY H 1 88 ASN HB3 . . 5.370 3.425 2.784 5.057 . 0 0 "[ . 1 . 2]" 1
171 1 79 GLY HA3 1 80 TRP HD1 . . 5.500 5.492 5.374 5.522 0.022 7 0 "[ . 1 . 2]" 1
172 1 80 TRP HB2 1 80 TRP HD1 . . 3.800 2.548 2.547 2.551 . 0 0 "[ . 1 . 2]" 1
173 1 43 VAL HA 1 47 PHE QD . . 3.930 3.036 2.837 3.251 . 0 0 "[ . 1 . 2]" 1
174 1 40 LEU HA 1 43 VAL H . . 4.180 3.204 3.167 3.234 . 0 0 "[ . 1 . 2]" 1
175 1 55 TYR QE 1 65 GLY QA . . 4.660 4.721 4.651 4.784 0.124 12 0 "[ . 1 . 2]" 1
176 1 85 TYR QE 1 87 VAL HA . . 3.940 2.051 1.991 2.269 . 0 0 "[ . 1 . 2]" 1
177 1 50 ALA HA 1 89 TYR QD . . 3.590 3.018 1.976 3.591 0.001 6 0 "[ . 1 . 2]" 1
178 1 32 SER HB2 1 80 TRP HD1 . . 4.890 4.438 4.316 4.572 . 0 0 "[ . 1 . 2]" 1
179 1 84 VAL HA 1 85 TYR QD . . 4.510 4.328 4.266 4.377 . 0 0 "[ . 1 . 2]" 1
180 1 42 THR HB 1 43 VAL H . . 3.600 2.606 2.436 2.753 . 0 0 "[ . 1 . 2]" 1
181 1 80 TRP HA 1 80 TRP HE3 . . 3.420 2.293 2.244 2.378 . 0 0 "[ . 1 . 2]" 1
182 1 89 TYR HA 1 89 TYR QD . . 3.740 3.222 2.632 3.723 . 0 0 "[ . 1 . 2]" 1
183 1 49 GLY HA3 1 89 TYR QD . . 4.320 4.197 3.788 4.359 0.039 18 0 "[ . 1 . 2]" 1
184 1 49 GLY HA3 1 89 TYR QE . . 4.100 3.391 2.715 4.196 0.096 9 0 "[ . 1 . 2]" 1
185 1 55 TYR QE 1 66 VAL HA . . 3.740 3.152 3.072 3.218 . 0 0 "[ . 1 . 2]" 1
186 1 55 TYR HA 1 55 TYR QE . . 4.370 4.293 4.239 4.315 . 0 0 "[ . 1 . 2]" 1
187 1 55 TYR HA 1 55 TYR QD . . 4.090 2.577 2.431 2.636 . 0 0 "[ . 1 . 2]" 1
188 1 37 THR HA 1 80 TRP HZ2 . . 3.420 2.358 2.302 2.488 . 0 0 "[ . 1 . 2]" 1
189 1 74 HIS HA 1 80 TRP HZ2 . . 4.170 3.844 3.758 4.021 . 0 0 "[ . 1 . 2]" 1
190 1 6 HIS HA 1 6 HIS HD2 . . 4.070 3.007 2.228 4.035 . 0 0 "[ . 1 . 2]" 1
191 1 21 GLU HA 1 47 PHE QD . . 5.500 5.158 4.982 5.434 . 0 0 "[ . 1 . 2]" 1
192 1 44 THR HA 1 47 PHE QD . . 5.500 5.051 4.930 5.134 . 0 0 "[ . 1 . 2]" 1
193 1 16 TYR HA 1 16 TYR QD . . 3.980 3.716 3.696 3.729 . 0 0 "[ . 1 . 2]" 1
194 1 16 TYR QD 1 18 ARG HA . . 4.760 4.542 4.225 4.689 . 0 0 "[ . 1 . 2]" 1
195 1 16 TYR QD 1 29 GLU HA . . 5.100 4.470 4.107 4.641 . 0 0 "[ . 1 . 2]" 1
196 1 54 ARG HA 1 55 TYR QD . . 4.900 4.928 4.891 5.027 0.127 2 0 "[ . 1 . 2]" 1
197 1 42 THR H 1 42 THR HB . . 3.840 2.560 2.487 2.657 . 0 0 "[ . 1 . 2]" 1
198 1 45 ALA H 1 46 GLN H . . 3.970 2.914 2.886 2.930 . 0 0 "[ . 1 . 2]" 1
199 1 89 TYR H 1 89 TYR QD . . 4.570 2.627 2.282 2.752 . 0 0 "[ . 1 . 2]" 1
200 1 46 GLN H 1 47 PHE H . . 3.620 2.062 2.030 2.113 . 0 0 "[ . 1 . 2]" 1
201 1 67 ARG HE 1 69 VAL H . . 4.410 4.195 3.910 4.418 0.008 1 0 "[ . 1 . 2]" 1
202 1 16 TYR QD 1 30 ILE H . . 5.130 4.462 4.070 4.680 . 0 0 "[ . 1 . 2]" 1
203 1 55 TYR QE 1 67 ARG H . . 5.420 4.706 4.536 4.797 . 0 0 "[ . 1 . 2]" 1
204 1 16 TYR QD 1 17 ILE H . . 4.670 3.382 3.217 3.556 . 0 0 "[ . 1 . 2]" 1
205 1 17 ILE MD 1 80 TRP HZ3 . . 4.460 2.820 2.759 2.843 . 0 0 "[ . 1 . 2]" 1
206 1 17 ILE HG12 1 80 TRP HZ3 . . 5.500 5.548 5.521 5.603 0.103 1 0 "[ . 1 . 2]" 1
207 1 17 ILE MG 1 80 TRP HZ3 . . 5.500 5.452 5.394 5.523 0.023 16 0 "[ . 1 . 2]" 1
208 1 19 VAL MG2 1 80 TRP HZ3 . . 5.440 4.853 4.692 4.998 . 0 0 "[ . 1 . 2]" 1
209 1 66 VAL MG1 1 80 TRP HZ3 . . 3.310 1.947 1.903 2.136 . 0 0 "[ . 1 . 2]" 1
210 1 66 VAL MG2 1 80 TRP HZ3 . . 3.690 1.985 1.921 2.099 . 0 0 "[ . 1 . 2]" 1
211 1 75 ALA HA 1 80 TRP HZ3 . . 4.660 3.780 3.679 3.858 . 0 0 "[ . 1 . 2]" 1
212 1 73 LEU HG 1 80 TRP HH2 . . 4.720 4.143 4.064 4.198 . 0 0 "[ . 1 . 2]" 1
213 1 75 ALA MB 1 79 GLY HA3 . . 4.070 4.097 4.078 4.126 0.056 2 0 "[ . 1 . 2]" 1
214 1 19 VAL MG2 1 85 TYR HB3 . . 3.990 3.266 3.187 3.448 . 0 0 "[ . 1 . 2]" 1
215 1 66 VAL MG2 1 85 TYR HB2 . . 3.750 3.499 3.424 3.753 0.003 17 0 "[ . 1 . 2]" 1
216 1 23 GLU HA 1 84 VAL MG2 . . 4.360 2.690 2.580 2.825 . 0 0 "[ . 1 . 2]" 1
217 1 18 ARG HB2 1 18 ARG QD . . 3.740 2.973 2.635 3.228 . 0 0 "[ . 1 . 2]" 1
218 1 64 ARG HD2 1 76 PRO HG3 . . 4.650 3.203 2.825 3.602 . 0 0 "[ . 1 . 2]" 1
219 1 64 ARG HD3 1 76 PRO HG3 . . 4.650 3.893 3.139 4.658 0.008 15 0 "[ . 1 . 2]" 1
220 1 30 ILE HA 1 31 PRO QD . . 3.700 2.068 2.025 2.115 . 0 0 "[ . 1 . 2]" 1
221 1 20 THR HB 1 27 PRO HA . . 3.370 1.959 1.941 1.974 . 0 0 "[ . 1 . 2]" 1
222 1 47 PHE HA 1 48 PRO HD2 . . 3.640 2.039 2.019 2.061 . 0 0 "[ . 1 . 2]" 1
223 1 47 PHE HA 1 48 PRO HD3 . . 3.630 2.853 2.821 2.888 . 0 0 "[ . 1 . 2]" 1
224 1 17 ILE HA 1 80 TRP HB3 . . 3.890 2.325 2.246 2.474 . 0 0 "[ . 1 . 2]" 1
225 1 53 LEU HA 1 87 VAL HA . . 3.990 2.844 2.717 2.996 . 0 0 "[ . 1 . 2]" 1
226 1 76 PRO HD2 1 80 TRP HZ3 . . 5.330 4.869 4.825 4.958 . 0 0 "[ . 1 . 2]" 1
227 1 53 LEU HA 1 53 LEU HG . . 4.180 3.729 3.697 3.748 . 0 0 "[ . 1 . 2]" 1
228 1 54 ARG HA 1 66 VAL MG2 . . 5.010 3.921 3.857 4.050 . 0 0 "[ . 1 . 2]" 1
229 1 76 PRO HD3 1 80 TRP HZ3 . . 4.910 4.331 4.235 4.451 . 0 0 "[ . 1 . 2]" 1
230 1 39 LEU HA 1 72 ILE HG12 . . 4.820 3.172 3.050 3.332 . 0 0 "[ . 1 . 2]" 1
231 1 44 THR MG 1 48 PRO HA . . 4.790 3.329 3.001 3.481 . 0 0 "[ . 1 . 2]" 1
232 1 44 THR HA 1 44 THR MG . . 3.390 2.394 2.349 2.434 . 0 0 "[ . 1 . 2]" 1
233 1 44 THR HA 1 50 ALA MB . . 4.400 4.188 4.141 4.280 . 0 0 "[ . 1 . 2]" 1
234 1 42 THR MG 1 43 VAL HA . . 3.910 3.611 3.378 3.817 . 0 0 "[ . 1 . 2]" 1
235 1 42 THR HA 1 45 ALA MB . . 3.600 2.452 2.296 2.628 . 0 0 "[ . 1 . 2]" 1
236 1 42 THR HA 1 42 THR MG . . 3.180 2.314 2.221 2.405 . 0 0 "[ . 1 . 2]" 1
237 1 76 PRO QB 1 77 ASP HA . . 4.410 4.312 4.303 4.316 . 0 0 "[ . 1 . 2]" 1
238 1 52 GLY HA3 1 88 ASN HB3 . . 4.660 3.105 2.587 4.686 0.026 14 0 "[ . 1 . 2]" 1
239 1 40 LEU HA 1 43 VAL HB . . 4.040 2.593 2.561 2.622 . 0 0 "[ . 1 . 2]" 1
240 1 23 GLU HA 1 23 GLU QG . . 3.490 3.308 2.602 3.409 . 0 0 "[ . 1 . 2]" 1
241 1 61 GLN HA 1 61 GLN QG . . 4.000 2.492 2.371 2.579 . 0 0 "[ . 1 . 2]" 1
242 1 43 VAL HA 1 46 GLN HB2 . . 5.120 4.991 4.510 5.190 0.070 4 0 "[ . 1 . 2]" 1
243 1 20 THR HB 1 27 PRO HB2 . . 4.920 4.652 4.626 4.684 . 0 0 "[ . 1 . 2]" 1
244 1 44 THR HA 1 47 PHE HB2 . . 4.510 3.825 3.785 3.850 . 0 0 "[ . 1 . 2]" 1
245 1 54 ARG HD2 1 65 GLY QA . . 5.180 5.036 3.805 5.197 0.017 9 0 "[ . 1 . 2]" 1
246 1 76 PRO HD3 1 80 TRP HA . . 4.750 4.161 4.058 4.407 . 0 0 "[ . 1 . 2]" 1
247 1 21 GLU HA 1 21 GLU HG3 . . 4.170 3.185 3.128 3.270 . 0 0 "[ . 1 . 2]" 1
248 1 30 ILE HA 1 42 THR MG . . 5.130 3.838 3.760 4.026 . 0 0 "[ . 1 . 2]" 1
249 1 15 GLU HB3 1 36 GLY HA2 . . 5.500 4.908 4.587 5.501 0.001 5 0 "[ . 1 . 2]" 1
250 1 75 ALA HA 1 79 GLY HA2 . . 5.500 5.129 5.023 5.321 . 0 0 "[ . 1 . 2]" 1
251 1 76 PRO HG3 1 79 GLY HA2 . . 5.500 5.132 5.020 5.386 . 0 0 "[ . 1 . 2]" 1
252 1 52 GLY HA3 1 68 LEU HG . . 5.440 4.875 4.691 5.007 . 0 0 "[ . 1 . 2]" 1
253 1 58 PRO HA 1 59 VAL MG1 . . 5.500 4.830 4.696 4.945 . 0 0 "[ . 1 . 2]" 1
254 1 23 GLU HA 1 84 VAL MG1 . . 4.360 2.202 2.131 2.340 . 0 0 "[ . 1 . 2]" 1
255 1 68 LEU MD2 1 71 GLY HA3 . . 3.790 3.402 3.336 3.486 . 0 0 "[ . 1 . 2]" 1
256 1 30 ILE MG 1 31 PRO QD . . 4.160 2.061 1.892 2.345 . 0 0 "[ . 1 . 2]" 1
257 1 52 GLY HA2 1 73 LEU MD1 . . 4.040 3.125 3.017 3.267 . 0 0 "[ . 1 . 2]" 1
258 1 37 THR HB 1 72 ILE MG . . 3.020 1.946 1.901 2.003 . 0 0 "[ . 1 . 2]" 1
259 1 72 ILE HA 1 72 ILE MG . . 3.470 2.319 2.305 2.378 . 0 0 "[ . 1 . 2]" 1
260 1 32 SER HA 1 38 VAL MG2 . . 4.510 2.484 2.367 2.577 . 0 0 "[ . 1 . 2]" 1
261 1 28 ILE HA 1 28 ILE MD . . 4.240 2.154 1.960 3.492 . 0 0 "[ . 1 . 2]" 1
262 1 30 ILE MG 1 42 THR HA . . 5.000 3.979 3.734 4.312 . 0 0 "[ . 1 . 2]" 1
263 1 68 LEU MD1 1 70 GLU HA . . 4.530 4.406 4.205 4.533 0.003 16 0 "[ . 1 . 2]" 1
264 1 37 THR MG 1 74 HIS HA . . 3.770 2.106 2.046 2.220 . 0 0 "[ . 1 . 2]" 1
265 1 52 GLY HA3 1 73 LEU MD1 . . 5.270 4.510 4.385 4.691 . 0 0 "[ . 1 . 2]" 1
266 1 28 ILE MD 1 29 GLU HA . . 4.400 4.244 3.087 4.415 0.015 5 0 "[ . 1 . 2]" 1
267 1 66 VAL MG1 1 74 HIS HA . . 4.820 4.732 4.452 4.842 0.022 9 0 "[ . 1 . 2]" 1
268 1 74 HIS HA 1 75 ALA HA . . 4.840 4.361 4.357 4.372 . 0 0 "[ . 1 . 2]" 1
269 1 20 THR HA 1 28 ILE MG . . 3.940 2.541 2.442 2.706 . 0 0 "[ . 1 . 2]" 1
270 1 73 LEU HA 1 73 LEU MD2 . . 3.210 2.809 2.786 2.840 . 0 0 "[ . 1 . 2]" 1
271 1 72 ILE MG 1 73 LEU HA . . 4.620 4.151 4.103 4.193 . 0 0 "[ . 1 . 2]" 1
272 1 53 LEU HA 1 53 LEU MD2 . . 4.350 3.470 3.459 3.479 . 0 0 "[ . 1 . 2]" 1
273 1 19 VAL HA 1 28 ILE MG . . 5.240 4.688 4.536 4.770 . 0 0 "[ . 1 . 2]" 1
274 1 19 VAL MG2 1 20 THR HA . . 4.830 4.127 4.079 4.215 . 0 0 "[ . 1 . 2]" 1
275 1 19 VAL MG1 1 55 TYR QD . . 4.540 4.637 4.592 4.701 0.161 16 0 "[ . 1 . 2]" 1
276 1 19 VAL MG1 1 55 TYR QE . . 4.080 4.031 3.962 4.120 0.040 16 0 "[ . 1 . 2]" 1
277 1 43 VAL MG1 1 47 PHE QE . . 4.750 4.033 3.910 4.205 . 0 0 "[ . 1 . 2]" 1
278 1 43 VAL MG2 1 47 PHE QE . . 4.670 3.723 3.351 4.103 . 0 0 "[ . 1 . 2]" 1
279 1 19 VAL MG1 1 85 TYR QD . . 4.670 3.657 3.527 3.795 . 0 0 "[ . 1 . 2]" 1
280 1 30 ILE MD 1 47 PHE QE . . 3.520 2.601 2.378 2.894 . 0 0 "[ . 1 . 2]" 1
281 1 75 ALA HA 1 80 TRP HH2 . . 4.840 3.811 3.755 3.877 . 0 0 "[ . 1 . 2]" 1
282 1 88 ASN H 1 88 ASN HB2 . . 4.110 3.082 2.782 3.398 . 0 0 "[ . 1 . 2]" 1
283 1 37 THR H 1 72 ILE MG . . 4.580 4.387 4.372 4.403 . 0 0 "[ . 1 . 2]" 1
284 1 17 ILE MG 1 80 TRP HE3 . . 5.360 5.053 5.009 5.131 . 0 0 "[ . 1 . 2]" 1
285 1 17 ILE MG 1 18 ARG H . . 4.440 4.158 4.125 4.195 . 0 0 "[ . 1 . 2]" 1
286 1 38 VAL MG2 1 39 LEU H . . 4.320 3.878 3.804 3.954 . 0 0 "[ . 1 . 2]" 1
287 1 86 VAL H 1 86 VAL MG1 . . 3.800 3.825 3.801 3.846 0.046 9 0 "[ . 1 . 2]" 1
288 1 69 VAL H 1 69 VAL MG2 . . 4.020 3.879 3.858 3.939 . 0 0 "[ . 1 . 2]" 1
289 1 39 LEU H 1 39 LEU HG . . 4.630 3.999 2.400 4.578 . 0 0 "[ . 1 . 2]" 1
290 1 40 LEU H 1 68 LEU MD2 . . 5.500 5.090 4.973 5.226 . 0 0 "[ . 1 . 2]" 1
291 1 28 ILE H 1 28 ILE HG13 . . 4.880 4.421 4.378 4.697 . 0 0 "[ . 1 . 2]" 1
292 1 43 VAL HB 1 44 THR H . . 3.490 2.815 2.531 2.906 . 0 0 "[ . 1 . 2]" 1
293 1 54 ARG H 1 85 TYR HB2 . . 5.160 3.428 3.393 3.463 . 0 0 "[ . 1 . 2]" 1
294 1 85 TYR HB2 1 86 VAL H . . 5.380 3.057 3.042 3.067 . 0 0 "[ . 1 . 2]" 1
295 1 56 ARG H 1 57 ASN HB2 . . 5.320 5.071 4.572 5.428 0.108 17 0 "[ . 1 . 2]" 1
296 1 40 LEU H 1 43 VAL HB . . 5.150 5.239 5.219 5.265 0.115 3 0 "[ . 1 . 2]" 1
297 1 21 GLU HB3 1 47 PHE QD . . 5.460 4.597 4.417 4.791 . 0 0 "[ . 1 . 2]" 1
298 1 64 ARG HE 1 76 PRO HG2 . . 5.420 4.377 3.747 5.424 0.004 19 0 "[ . 1 . 2]" 1
299 1 55 TYR QE 1 66 VAL HB . . 5.290 5.315 5.297 5.334 0.044 14 0 "[ . 1 . 2]" 1
300 1 32 SER HB2 1 38 VAL MG1 . . 5.610 3.819 3.698 3.903 . 0 0 "[ . 1 . 2]" 1
301 1 17 ILE MG 1 19 VAL MG1 . . 4.620 4.626 4.564 4.710 0.090 1 0 "[ . 1 . 2]" 1
302 1 17 ILE MG 1 43 VAL MG2 . . 4.950 4.180 4.075 4.330 . 0 0 "[ . 1 . 2]" 1
303 1 17 ILE MD 1 38 VAL HB . . 4.340 3.568 3.446 3.661 . 0 0 "[ . 1 . 2]" 1
304 1 68 LEU HG 1 73 LEU MD1 . . 3.560 2.896 2.769 3.048 . 0 0 "[ . 1 . 2]" 1
305 1 66 VAL MG1 1 73 LEU MD1 . . 4.130 1.880 1.851 1.894 . 0 0 "[ . 1 . 2]" 1
306 1 17 ILE HG12 1 17 ILE MG . . 3.670 2.355 2.317 2.390 . 0 0 "[ . 1 . 2]" 1
307 1 17 ILE MD 1 17 ILE MG . . 3.230 2.024 1.968 2.121 . 0 0 "[ . 1 . 2]" 1
308 1 17 ILE MG 1 38 VAL HB . . 4.490 3.900 3.838 3.968 . 0 0 "[ . 1 . 2]" 1
309 1 53 LEU HB2 1 66 VAL HB . . 3.800 2.308 2.206 2.454 . 0 0 "[ . 1 . 2]" 1
310 1 76 PRO QB 1 78 ALA MB . . 3.740 3.180 3.035 3.276 . 0 0 "[ . 1 . 2]" 1
311 1 72 ILE HG12 1 72 ILE MG . . 3.490 1.967 1.928 2.138 . 0 0 "[ . 1 . 2]" 1
312 1 28 ILE HB 1 28 ILE MD . . 3.580 2.391 2.295 3.148 . 0 0 "[ . 1 . 2]" 1
313 1 68 LEU MD2 1 73 LEU HG . . 4.130 4.176 4.143 4.198 0.068 6 0 "[ . 1 . 2]" 1
314 1 73 LEU HB2 1 73 LEU MD2 . . 3.620 2.228 2.214 2.252 . 0 0 "[ . 1 . 2]" 1
315 1 30 ILE MG 1 46 GLN HG3 . . 4.360 2.677 2.289 3.144 . 0 0 "[ . 1 . 2]" 1
316 1 68 LEU MD2 1 73 LEU HB2 . . 4.470 4.328 4.181 4.389 . 0 0 "[ . 1 . 2]" 1
317 1 69 VAL MG1 1 70 GLU QG . . 3.670 3.495 3.334 3.669 . 0 0 "[ . 1 . 2]" 1
318 1 38 VAL HB 1 73 LEU HB2 . . 3.530 2.151 2.079 2.243 . 0 0 "[ . 1 . 2]" 1
319 1 40 LEU HB3 1 43 VAL HB . . 5.080 5.036 4.845 5.139 0.059 4 0 "[ . 1 . 2]" 1
320 1 54 ARG HB3 1 55 TYR HB2 . . 5.500 5.222 5.090 5.304 . 0 0 "[ . 1 . 2]" 1
321 1 40 LEU HB2 1 43 VAL HB . . 5.080 4.995 4.876 5.120 0.040 19 0 "[ . 1 . 2]" 1
322 1 72 ILE MG 1 74 HIS HB2 . . 4.570 4.453 4.289 4.590 0.020 17 0 "[ . 1 . 2]" 1
323 1 19 VAL MG2 1 85 TYR HB2 . . 5.040 4.065 3.960 4.317 . 0 0 "[ . 1 . 2]" 1
324 1 19 VAL HB 1 85 TYR HB2 . . 4.670 3.631 3.560 3.814 . 0 0 "[ . 1 . 2]" 1
325 1 75 ALA HA 1 76 PRO HD2 . . 3.750 2.436 2.402 2.470 . 0 0 "[ . 1 . 2]" 1
326 1 18 ARG HB2 1 80 TRP HB3 . . 5.040 4.631 4.431 4.836 . 0 0 "[ . 1 . 2]" 1
327 1 53 LEU HB3 1 85 TYR HB3 . . 4.390 4.168 4.127 4.207 . 0 0 "[ . 1 . 2]" 1
328 1 17 ILE HA 1 17 ILE HG12 . . 3.500 3.282 3.236 3.318 . 0 0 "[ . 1 . 2]" 1
329 1 32 SER HA 1 38 VAL MG1 . . 4.510 3.056 2.889 3.238 . 0 0 "[ . 1 . 2]" 1
330 1 75 ALA MB 1 80 TRP HA . . 4.120 3.513 3.384 3.636 . 0 0 "[ . 1 . 2]" 1
331 1 75 ALA MB 1 79 GLY HA2 . . 4.430 2.617 2.580 2.730 . 0 0 "[ . 1 . 2]" 1
332 1 38 VAL MG1 1 80 TRP HH2 . . 4.810 4.810 4.755 4.836 0.026 2 0 "[ . 1 . 2]" 1
333 1 75 ALA MB 1 80 TRP HH2 . . 4.910 3.944 3.826 4.009 . 0 0 "[ . 1 . 2]" 1
334 1 75 ALA MB 1 80 TRP HZ3 . . 4.810 4.186 4.049 4.320 . 0 0 "[ . 1 . 2]" 1
335 1 48 PRO HA 1 50 ALA MB . . 5.010 4.591 4.536 4.674 . 0 0 "[ . 1 . 2]" 1
336 1 49 GLY HA3 1 50 ALA MB . . 5.500 4.597 4.566 4.623 . 0 0 "[ . 1 . 2]" 1
337 1 39 LEU HA 1 72 ILE MG . . 4.670 3.176 3.058 3.270 . 0 0 "[ . 1 . 2]" 1
338 1 42 THR H 1 43 VAL H . . 3.620 2.561 2.526 2.602 . 0 0 "[ . 1 . 2]" 1
339 1 30 ILE MD 1 47 PHE QD . . 4.600 3.956 3.661 4.291 . 0 0 "[ . 1 . 2]" 1
340 1 47 PHE HB2 1 50 ALA H . . 4.160 4.078 4.017 4.123 . 0 0 "[ . 1 . 2]" 1
341 1 72 ILE HB 1 73 LEU H . . 4.630 4.315 4.265 4.348 . 0 0 "[ . 1 . 2]" 1
342 1 69 VAL H 1 72 ILE HB . . 4.610 3.974 3.889 4.094 . 0 0 "[ . 1 . 2]" 1
343 1 66 VAL MG1 1 73 LEU HB2 . . 4.110 3.591 3.463 3.665 . 0 0 "[ . 1 . 2]" 1
344 1 66 VAL MG2 1 73 LEU HB2 . . 5.500 5.523 5.316 5.558 0.058 15 0 "[ . 1 . 2]" 1
345 1 53 LEU HB3 1 66 VAL MG2 . . 3.530 3.391 3.284 3.524 . 0 0 "[ . 1 . 2]" 1
346 1 54 ARG HB2 1 86 VAL HB . . 2.550 2.276 1.993 2.356 . 0 0 "[ . 1 . 2]" 1
347 1 54 ARG HB2 1 54 ARG HE . . 4.940 3.398 2.664 4.884 . 0 0 "[ . 1 . 2]" 1
348 1 75 ALA HA 1 80 TRP HZ2 . . 5.500 4.365 4.274 4.479 . 0 0 "[ . 1 . 2]" 1
349 1 67 ARG HE 1 68 LEU HA . . 4.440 4.199 3.943 4.444 0.004 9 0 "[ . 1 . 2]" 1
350 1 17 ILE HA 1 18 ARG H . . 3.420 2.146 2.141 2.159 . 0 0 "[ . 1 . 2]" 1
351 1 51 CYS H 1 89 TYR HA . . 4.660 3.586 2.863 4.407 . 0 0 "[ . 1 . 2]" 1
352 1 17 ILE MG 1 19 VAL MG2 . . 4.750 3.445 3.331 3.635 . 0 0 "[ . 1 . 2]" 1
353 1 19 VAL MG2 1 20 THR H . . 3.800 3.796 3.607 3.888 0.088 19 0 "[ . 1 . 2]" 1
354 1 17 ILE MD 1 80 TRP HA . . 5.450 4.424 4.364 4.470 . 0 0 "[ . 1 . 2]" 1
355 1 16 TYR QD 1 17 ILE HA . . 4.870 3.716 3.504 3.960 . 0 0 "[ . 1 . 2]" 1
356 1 55 TYR QE 1 80 TRP HA . . 5.180 4.028 3.972 4.094 . 0 0 "[ . 1 . 2]" 1
357 1 55 TYR QD 1 56 ARG HA . . 5.500 4.648 4.622 4.676 . 0 0 "[ . 1 . 2]" 1
358 1 21 GLU HA 1 85 TYR QE . . 4.360 2.840 2.728 3.026 . 0 0 "[ . 1 . 2]" 1
359 1 17 ILE MD 1 19 VAL MG2 . . 3.290 2.215 2.127 2.300 . 0 0 "[ . 1 . 2]" 1
360 1 17 ILE MD 1 85 TYR HB2 . . 5.500 5.381 5.242 5.494 . 0 0 "[ . 1 . 2]" 1
361 1 17 ILE MD 1 30 ILE HB . . 5.170 5.014 4.747 5.218 0.048 1 0 "[ . 1 . 2]" 1
362 1 17 ILE MD 1 30 ILE HG13 . . 5.130 3.824 3.737 3.901 . 0 0 "[ . 1 . 2]" 1
363 1 17 ILE MD 1 66 VAL MG1 . . 5.500 3.557 3.464 3.722 . 0 0 "[ . 1 . 2]" 1
364 1 17 ILE MD 1 66 VAL MG2 . . 5.500 3.328 3.205 3.458 . 0 0 "[ . 1 . 2]" 1
365 1 17 ILE HG12 1 30 ILE HG13 . . 4.290 3.282 3.209 3.350 . 0 0 "[ . 1 . 2]" 1
366 1 17 ILE HB 1 75 ALA MB . . 5.090 4.853 4.721 4.944 . 0 0 "[ . 1 . 2]" 1
367 1 75 ALA MB 1 76 PRO QB . . 4.740 4.446 4.413 4.475 . 0 0 "[ . 1 . 2]" 1
368 1 78 ALA HA 1 79 GLY HA3 . . 4.780 4.516 4.508 4.538 . 0 0 "[ . 1 . 2]" 1
369 1 40 LEU HA 1 44 THR H . . 5.370 4.335 4.132 4.466 . 0 0 "[ . 1 . 2]" 1
370 1 42 THR HA 1 44 THR H . . 5.500 4.252 4.083 4.628 . 0 0 "[ . 1 . 2]" 1
371 1 18 ARG HA 1 28 ILE H . . 5.030 5.051 4.903 5.092 0.062 19 0 "[ . 1 . 2]" 1
372 1 18 ARG HB2 1 82 ASN HA . . 4.740 2.871 2.630 3.043 . 0 0 "[ . 1 . 2]" 1
373 1 50 ALA H 1 89 TYR QD . . 5.130 4.729 4.055 5.178 0.048 18 0 "[ . 1 . 2]" 1
374 1 53 LEU H 1 54 ARG H . . 5.070 4.477 4.469 4.483 . 0 0 "[ . 1 . 2]" 1
375 1 85 TYR H 1 86 VAL H . . 5.490 4.410 4.400 4.427 . 0 0 "[ . 1 . 2]" 1
376 1 37 THR HB 1 73 LEU H . . 5.070 4.141 4.054 4.204 . 0 0 "[ . 1 . 2]" 1
377 1 40 LEU HA 1 73 LEU H . . 5.500 4.172 4.112 4.232 . 0 0 "[ . 1 . 2]" 1
378 1 16 TYR HA 1 30 ILE H . . 5.500 5.428 5.259 5.540 0.040 4 0 "[ . 1 . 2]" 1
379 1 17 ILE H 1 18 ARG H . . 5.030 4.331 4.309 4.373 . 0 0 "[ . 1 . 2]" 1
380 1 18 ARG H 1 19 VAL H . . 5.300 4.118 4.093 4.153 . 0 0 "[ . 1 . 2]" 1
381 1 68 LEU MD1 1 69 VAL HA . . 4.330 2.863 2.587 2.969 . 0 0 "[ . 1 . 2]" 1
382 1 52 GLY H 1 88 ASN HA . . 4.860 4.843 4.797 4.890 0.030 18 0 "[ . 1 . 2]" 1
383 1 52 GLY H 1 88 ASN H . . 4.710 2.984 2.862 3.121 . 0 0 "[ . 1 . 2]" 1
384 1 56 ARG H 1 84 VAL H . . 4.920 4.081 4.038 4.254 . 0 0 "[ . 1 . 2]" 1
385 1 75 ALA MB 1 80 TRP HE1 . . 3.880 3.247 3.185 3.336 . 0 0 "[ . 1 . 2]" 1
386 1 69 VAL MG2 1 70 GLU H . . 4.310 2.654 2.466 2.756 . 0 0 "[ . 1 . 2]" 1
387 1 70 GLU H 1 70 GLU QG . . 4.270 2.597 2.468 2.973 . 0 0 "[ . 1 . 2]" 1
388 1 69 VAL MG1 1 70 GLU H . . 4.310 4.142 4.093 4.185 . 0 0 "[ . 1 . 2]" 1
389 1 85 TYR HB3 1 86 VAL H . . 4.220 4.225 4.218 4.231 0.011 5 0 "[ . 1 . 2]" 1
390 1 86 VAL H 1 86 VAL MG2 . . 3.550 2.709 2.524 2.812 . 0 0 "[ . 1 . 2]" 1
391 1 73 LEU H 1 73 LEU MD2 . . 3.700 2.022 1.957 2.106 . 0 0 "[ . 1 . 2]" 1
392 1 73 LEU H 1 73 LEU MD1 . . 3.940 3.600 3.557 3.660 . 0 0 "[ . 1 . 2]" 1
393 1 30 ILE H 1 30 ILE HG13 . . 3.550 1.963 1.892 2.034 . 0 0 "[ . 1 . 2]" 1
394 1 66 VAL MG1 1 67 ARG H . . 4.010 2.823 2.475 3.015 . 0 0 "[ . 1 . 2]" 1
395 1 72 ILE MG 1 73 LEU H . . 3.480 2.729 2.597 2.996 . 0 0 "[ . 1 . 2]" 1
396 1 30 ILE H 1 30 ILE HB . . 3.790 3.493 3.390 3.607 . 0 0 "[ . 1 . 2]" 1
397 1 33 GLU H 1 38 VAL MG2 . . 4.670 3.366 3.256 3.542 . 0 0 "[ . 1 . 2]" 1
398 1 28 ILE H 1 28 ILE MG . . 3.920 1.963 1.866 2.165 . 0 0 "[ . 1 . 2]" 1
399 1 30 ILE H 1 30 ILE MG . . 4.330 3.630 3.508 3.747 . 0 0 "[ . 1 . 2]" 1
400 1 30 ILE H 1 30 ILE MD . . 4.720 3.679 3.617 3.731 . 0 0 "[ . 1 . 2]" 1
401 1 32 SER HB3 1 33 GLU H . . 4.340 3.860 3.695 4.126 . 0 0 "[ . 1 . 2]" 1
402 1 28 ILE H 1 28 ILE HG12 . . 4.880 4.679 4.430 4.714 . 0 0 "[ . 1 . 2]" 1
403 1 43 VAL MG1 1 44 THR H . . 3.660 3.130 2.916 3.234 . 0 0 "[ . 1 . 2]" 1
404 1 33 GLU H 1 38 VAL MG1 . . 4.670 4.293 4.120 4.469 . 0 0 "[ . 1 . 2]" 1
405 1 32 SER HB2 1 33 GLU H . . 4.340 2.547 2.298 2.894 . 0 0 "[ . 1 . 2]" 1
406 1 22 ASP QB 1 23 GLU H . . 3.760 2.874 2.400 3.146 . 0 0 "[ . 1 . 2]" 1
407 1 23 GLU H 1 23 GLU QG . . 4.060 2.128 1.959 2.310 . 0 0 "[ . 1 . 2]" 1
408 1 44 THR H 1 44 THR MG . . 3.250 2.276 2.172 2.381 . 0 0 "[ . 1 . 2]" 1
409 1 33 GLU QG 1 34 ASP H . . 4.930 3.175 2.040 4.232 . 0 0 "[ . 1 . 2]" 1
410 1 50 ALA MB 1 51 CYS H . . 3.690 3.304 3.004 3.525 . 0 0 "[ . 1 . 2]" 1
411 1 51 CYS H 1 51 CYS HB2 . . 4.190 2.272 2.095 2.673 . 0 0 "[ . 1 . 2]" 1
412 1 51 CYS H 1 51 CYS HB3 . . 4.130 3.090 2.683 3.471 . 0 0 "[ . 1 . 2]" 1
413 1 50 ALA HA 1 51 CYS H . . 3.490 2.158 2.141 2.213 . 0 0 "[ . 1 . 2]" 1
414 1 34 ASP H 1 34 ASP QB . . 3.390 2.392 2.146 2.632 . 0 0 "[ . 1 . 2]" 1
415 1 69 VAL H 1 69 VAL HB . . 3.750 3.378 3.342 3.415 . 0 0 "[ . 1 . 2]" 1
416 1 68 LEU MD2 1 69 VAL H . . 3.360 2.134 1.873 2.215 . 0 0 "[ . 1 . 2]" 1
417 1 69 VAL H 1 69 VAL MG1 . . 4.020 2.110 2.075 2.228 . 0 0 "[ . 1 . 2]" 1
418 1 64 ARG H 1 64 ARG QG . . 4.070 3.126 2.023 3.737 . 0 0 "[ . 1 . 2]" 1
419 1 54 ARG HB3 1 55 TYR H . . 4.070 2.993 2.859 3.091 . 0 0 "[ . 1 . 2]" 1
420 1 55 TYR H 1 86 VAL HB . . 5.240 5.000 4.906 5.127 . 0 0 "[ . 1 . 2]" 1
421 1 53 LEU H 1 66 VAL HB . . 4.230 3.427 3.310 3.524 . 0 0 "[ . 1 . 2]" 1
422 1 55 TYR HB2 1 56 ARG H . . 4.430 4.459 4.444 4.475 0.045 2 0 "[ . 1 . 2]" 1
423 1 19 VAL HB 1 85 TYR H . . 3.610 3.669 3.626 3.717 0.107 20 0 "[ . 1 . 2]" 1
424 1 16 TYR HB2 1 17 ILE H . . 3.970 2.041 2.012 2.195 . 0 0 "[ . 1 . 2]" 1
425 1 16 TYR HB3 1 17 ILE H . . 4.050 3.368 3.340 3.502 . 0 0 "[ . 1 . 2]" 1
426 1 19 VAL H 1 27 PRO HB2 . . 4.520 4.365 3.795 4.535 0.015 1 0 "[ . 1 . 2]" 1
427 1 84 VAL HB 1 85 TYR H . . 4.810 3.483 3.399 3.626 . 0 0 "[ . 1 . 2]" 1
428 1 53 LEU H 1 53 LEU HB2 . . 3.770 2.724 2.693 2.743 . 0 0 "[ . 1 . 2]" 1
429 1 48 PRO HB2 1 49 GLY H . . 4.200 3.556 3.526 3.629 . 0 0 "[ . 1 . 2]" 1
430 1 19 VAL H 1 19 VAL MG1 . . 3.330 3.358 3.327 3.389 0.059 16 0 "[ . 1 . 2]" 1
431 1 20 THR HB 1 21 GLU H . . 5.020 3.751 3.606 3.935 . 0 0 "[ . 1 . 2]" 1
432 1 20 THR H 1 85 TYR HB3 . . 4.190 3.583 3.273 3.758 . 0 0 "[ . 1 . 2]" 1
433 1 21 GLU H 1 21 GLU HG3 . . 4.510 4.458 4.374 4.502 . 0 0 "[ . 1 . 2]" 1
434 1 39 LEU HB2 1 41 SER H . . 5.050 4.499 3.769 4.801 . 0 0 "[ . 1 . 2]" 1
435 1 20 THR H 1 27 PRO HB3 . . 4.220 4.241 4.214 4.306 0.086 16 0 "[ . 1 . 2]" 1
436 1 20 THR H 1 84 VAL MG1 . . 4.890 3.121 3.008 3.264 . 0 0 "[ . 1 . 2]" 1
437 1 41 SER H 1 41 SER HB2 . . 4.140 2.336 2.079 2.951 . 0 0 "[ . 1 . 2]" 1
438 1 41 SER H 1 41 SER HB3 . . 4.140 3.305 2.510 3.594 . 0 0 "[ . 1 . 2]" 1
439 1 39 LEU HB3 1 41 SER H . . 5.050 2.950 2.699 3.279 . 0 0 "[ . 1 . 2]" 1
440 1 26 GLU H 1 26 GLU QG . . 4.320 3.078 2.433 3.584 . 0 0 "[ . 1 . 2]" 1
441 1 63 MET H 1 63 MET QG . . 4.570 3.841 2.181 4.286 . 0 0 "[ . 1 . 2]" 1
442 1 41 SER H 1 43 VAL HB . . 5.230 5.192 5.139 5.261 0.031 17 0 "[ . 1 . 2]" 1
443 1 10 HIS H 1 10 HIS QB . . 3.560 2.582 2.126 3.356 . 0 0 "[ . 1 . 2]" 1
444 1 22 ASP QB 1 24 ASN H . . 4.060 2.592 2.467 2.799 . 0 0 "[ . 1 . 2]" 1
445 1 24 ASN H 1 24 ASN HB2 . . 4.010 2.507 2.095 3.636 . 0 0 "[ . 1 . 2]" 1
446 1 26 GLU H 1 26 GLU QB . . 3.400 2.190 2.079 2.385 . 0 0 "[ . 1 . 2]" 1
447 1 63 MET H 1 63 MET QB . . 3.860 2.772 2.510 3.066 . 0 0 "[ . 1 . 2]" 1
448 1 40 LEU H 1 41 SER HA . . 5.450 5.395 5.370 5.429 . 0 0 "[ . 1 . 2]" 1
449 1 40 LEU H 1 40 LEU HB2 . . 3.810 2.238 2.114 2.334 . 0 0 "[ . 1 . 2]" 1
450 1 40 LEU H 1 40 LEU HB3 . . 3.810 2.829 2.699 3.014 . 0 0 "[ . 1 . 2]" 1
451 1 23 GLU QG 1 24 ASN H . . 4.150 2.136 1.939 3.765 . 0 0 "[ . 1 . 2]" 1
452 1 17 ILE HB 1 18 ARG H . . 4.580 4.116 4.027 4.173 . 0 0 "[ . 1 . 2]" 1
453 1 24 ASN H 1 24 ASN HB3 . . 4.010 2.969 2.345 3.600 . 0 0 "[ . 1 . 2]" 1
454 1 18 ARG H 1 19 VAL MG1 . . 3.950 3.528 3.449 3.621 . 0 0 "[ . 1 . 2]" 1
455 1 74 HIS H 1 74 HIS HB3 . . 3.740 3.095 3.061 3.118 . 0 0 "[ . 1 . 2]" 1
456 1 73 LEU MD2 1 74 HIS H . . 4.640 4.625 4.605 4.641 0.001 2 0 "[ . 1 . 2]" 1
457 1 76 PRO QB 1 77 ASP H . . 4.230 2.121 2.096 2.137 . 0 0 "[ . 1 . 2]" 1
458 1 57 ASN H 1 58 PRO HD2 . . 4.900 4.776 4.713 4.839 . 0 0 "[ . 1 . 2]" 1
459 1 37 THR HB 1 75 ALA H . . 4.320 4.362 4.349 4.379 0.059 13 0 "[ . 1 . 2]" 1
460 1 70 GLU HA 1 71 GLY H . . 3.360 2.959 2.944 2.975 . 0 0 "[ . 1 . 2]" 1
461 1 13 MET H 1 13 MET QG . . 4.160 3.451 2.459 4.106 . 0 0 "[ . 1 . 2]" 1
462 1 64 ARG QG 1 65 GLY H . . 4.340 2.907 1.936 3.657 . 0 0 "[ . 1 . 2]" 1
463 1 76 PRO HG2 1 77 ASP H . . 4.000 4.032 4.007 4.049 0.049 20 0 "[ . 1 . 2]" 1
464 1 56 ARG QD 1 57 ASN H . . 4.160 3.097 2.568 4.237 0.077 19 0 "[ . 1 . 2]" 1
465 1 64 ARG HD3 1 65 GLY H . . 4.570 2.669 1.941 3.605 . 0 0 "[ . 1 . 2]" 1
466 1 57 ASN H 1 57 ASN HB2 . . 3.690 2.463 2.405 2.587 . 0 0 "[ . 1 . 2]" 1
467 1 38 VAL H 1 38 VAL HB . . 3.770 2.736 2.719 2.759 . 0 0 "[ . 1 . 2]" 1
468 1 80 TRP H 1 80 TRP HB2 . . 4.160 2.381 2.311 2.447 . 0 0 "[ . 1 . 2]" 1
469 1 37 THR MG 1 75 ALA H . . 3.500 2.706 2.628 2.834 . 0 0 "[ . 1 . 2]" 1
470 1 38 VAL H 1 38 VAL MG1 . . 4.530 3.849 3.838 3.860 . 0 0 "[ . 1 . 2]" 1
471 1 38 VAL H 1 72 ILE MG . . 3.560 2.321 2.175 2.545 . 0 0 "[ . 1 . 2]" 1
472 1 75 ALA H 1 75 ALA MB . . 2.940 2.210 2.170 2.263 . 0 0 "[ . 1 . 2]" 1
473 1 46 GLN HB2 1 47 PHE H . . 4.370 2.880 2.773 3.233 . 0 0 "[ . 1 . 2]" 1
474 1 68 LEU MD2 1 71 GLY H . . 3.310 2.191 2.118 2.301 . 0 0 "[ . 1 . 2]" 1
475 1 47 PHE H 1 47 PHE HB2 . . 3.900 2.886 2.846 2.915 . 0 0 "[ . 1 . 2]" 1
476 1 66 VAL H 1 66 VAL HB . . 3.430 2.531 2.477 2.607 . 0 0 "[ . 1 . 2]" 1
477 1 66 VAL H 1 66 VAL MG2 . . 3.230 2.285 2.116 2.427 . 0 0 "[ . 1 . 2]" 1
478 1 43 VAL MG1 1 47 PHE H . . 4.330 3.709 3.621 3.792 . 0 0 "[ . 1 . 2]" 1
479 1 67 ARG HA 1 68 LEU H . . 3.530 2.210 2.144 2.217 . 0 0 "[ . 1 . 2]" 1
480 1 14 SER H 1 14 SER QB . . 3.370 2.902 2.259 3.371 0.001 11 0 "[ . 1 . 2]" 1
481 1 3 GLY QA 1 4 SER H . . 3.480 2.218 2.111 2.712 . 0 0 "[ . 1 . 2]" 1
482 1 28 ILE MG 1 29 GLU H . . 4.130 3.878 3.781 4.028 . 0 0 "[ . 1 . 2]" 1
483 1 72 ILE H 1 72 ILE HG12 . . 4.000 3.960 3.945 3.986 . 0 0 "[ . 1 . 2]" 1
484 1 72 ILE H 1 72 ILE MD . . 4.050 2.522 2.313 2.679 . 0 0 "[ . 1 . 2]" 1
485 1 50 ALA H 1 50 ALA MB . . 3.090 2.231 2.195 2.238 . 0 0 "[ . 1 . 2]" 1
486 1 78 ALA H 1 78 ALA MB . . 2.830 2.354 2.246 2.427 . 0 0 "[ . 1 . 2]" 1
487 1 16 TYR H 1 16 TYR HB3 . . 4.060 3.433 3.349 3.497 . 0 0 "[ . 1 . 2]" 1
488 1 25 ASP H 1 25 ASP HB2 . . 3.810 2.307 2.103 2.737 . 0 0 "[ . 1 . 2]" 1
489 1 25 ASP H 1 25 ASP HB3 . . 3.810 3.128 2.398 3.592 . 0 0 "[ . 1 . 2]" 1
490 1 21 GLU HB2 1 22 ASP H . . 4.590 3.628 3.591 3.735 . 0 0 "[ . 1 . 2]" 1
491 1 59 VAL H 1 59 VAL MG1 . . 3.150 2.433 2.252 2.589 . 0 0 "[ . 1 . 2]" 1
492 1 22 ASP H 1 22 ASP QB . . 3.500 2.284 2.172 2.651 . 0 0 "[ . 1 . 2]" 1
493 1 76 PRO QB 1 79 GLY H . . 4.250 3.168 3.127 3.258 . 0 0 "[ . 1 . 2]" 1
494 1 59 VAL H 1 59 VAL MG2 . . 3.300 1.979 1.924 2.105 . 0 0 "[ . 1 . 2]" 1
495 1 21 GLU HB3 1 22 ASP H . . 4.290 2.457 2.377 2.771 . 0 0 "[ . 1 . 2]" 1
496 1 75 ALA MB 1 79 GLY H . . 4.030 3.582 3.527 3.624 . 0 0 "[ . 1 . 2]" 1
497 1 37 THR H 1 37 THR MG . . 3.540 2.254 2.209 2.295 . 0 0 "[ . 1 . 2]" 1
498 1 83 LEU MD2 1 84 VAL H . . 4.520 3.056 3.004 3.635 . 0 0 "[ . 1 . 2]" 1
499 1 86 VAL MG1 1 87 VAL H . . 3.710 2.638 2.157 2.888 . 0 0 "[ . 1 . 2]" 1
500 1 83 LEU HB2 1 84 VAL H . . 4.200 1.933 1.905 2.133 . 0 0 "[ . 1 . 2]" 1
501 1 78 ALA MB 1 79 GLY H . . 3.320 2.894 2.836 2.971 . 0 0 "[ . 1 . 2]" 1
502 1 84 VAL H 1 84 VAL HB . . 3.440 2.698 2.653 2.745 . 0 0 "[ . 1 . 2]" 1
503 1 88 ASN H 1 88 ASN HB3 . . 4.110 3.214 2.803 3.957 . 0 0 "[ . 1 . 2]" 1
504 1 39 LEU HB2 1 42 THR H . . 4.310 3.903 2.957 4.269 . 0 0 "[ . 1 . 2]" 1
505 1 39 LEU HB3 1 42 THR H . . 4.310 2.770 2.535 3.484 . 0 0 "[ . 1 . 2]" 1
506 1 50 ALA MB 1 52 GLY H . . 4.390 3.564 3.398 3.968 . 0 0 "[ . 1 . 2]" 1
507 1 45 ALA H 1 45 ALA MB . . 2.930 2.157 2.088 2.233 . 0 0 "[ . 1 . 2]" 1
508 1 43 VAL H 1 43 VAL MG2 . . 2.950 2.574 2.467 2.704 . 0 0 "[ . 1 . 2]" 1
509 1 30 ILE MD 1 47 PHE HZ . . 4.010 3.462 3.137 3.846 . 0 0 "[ . 1 . 2]" 1
510 1 43 VAL MG1 1 47 PHE QD . . 3.130 2.085 1.956 2.244 . 0 0 "[ . 1 . 2]" 1
511 1 18 ARG HB2 1 18 ARG HE . . 4.340 3.298 2.993 4.340 . 0 0 "[ . 1 . 2]" 1
512 1 32 SER HB3 1 80 TRP HD1 . . 4.890 4.074 3.960 4.144 . 0 0 "[ . 1 . 2]" 1
513 1 42 THR MG 1 45 ALA H . . 4.970 4.319 4.040 4.584 . 0 0 "[ . 1 . 2]" 1
514 1 44 THR MG 1 45 ALA H . . 4.950 3.905 3.825 4.041 . 0 0 "[ . 1 . 2]" 1
515 1 28 ILE MG 1 47 PHE QD . . 4.250 4.306 4.238 4.372 0.122 20 0 "[ . 1 . 2]" 1
516 1 17 ILE HG13 1 80 TRP HD1 . . 4.860 4.628 4.500 4.696 . 0 0 "[ . 1 . 2]" 1
517 1 43 VAL MG2 1 47 PHE QD . . 3.390 3.214 2.957 3.406 0.016 14 0 "[ . 1 . 2]" 1
518 1 64 ARG HE 1 76 PRO HG3 . . 5.110 3.684 3.206 4.525 . 0 0 "[ . 1 . 2]" 1
519 1 53 LEU HG 1 85 TYR QD . . 4.260 3.926 3.842 3.980 . 0 0 "[ . 1 . 2]" 1
520 1 17 ILE MG 1 47 PHE QE . . 4.720 4.576 4.343 4.777 0.057 1 0 "[ . 1 . 2]" 1
521 1 75 ALA MB 1 80 TRP HE3 . . 3.980 3.837 3.673 3.985 0.005 14 0 "[ . 1 . 2]" 1
522 1 17 ILE MD 1 80 TRP HE3 . . 3.870 2.704 2.604 2.757 . 0 0 "[ . 1 . 2]" 1
523 1 17 ILE HG13 1 80 TRP HE3 . . 4.300 2.913 2.861 3.000 . 0 0 "[ . 1 . 2]" 1
524 1 54 ARG HB3 1 54 ARG HE . . 4.820 3.730 2.528 4.554 . 0 0 "[ . 1 . 2]" 1
525 1 54 ARG HE 1 86 VAL HB . . 5.500 3.939 2.158 5.506 0.006 7 0 "[ . 1 . 2]" 1
526 1 83 LEU H 1 83 LEU HG . . 3.990 3.576 3.564 3.645 . 0 0 "[ . 1 . 2]" 1
527 1 83 LEU H 1 83 LEU MD1 . . 4.740 1.928 1.821 3.849 . 0 0 "[ . 1 . 2]" 1
528 1 46 GLN H 1 46 GLN HB2 . . 3.380 2.830 2.246 2.963 . 0 0 "[ . 1 . 2]" 1
529 1 30 ILE MG 1 46 GLN H . . 4.100 3.992 3.742 4.184 0.084 17 0 "[ . 1 . 2]" 1
530 1 45 ALA MB 1 46 GLN H . . 3.660 2.415 2.382 2.554 . 0 0 "[ . 1 . 2]" 1
531 1 55 TYR QD 1 64 ARG QB . . 4.070 3.049 2.342 4.027 . 0 0 "[ . 1 . 2]" 1
532 1 55 TYR QE 1 64 ARG HD2 . . 4.300 3.271 3.015 3.933 . 0 0 "[ . 1 . 2]" 1
533 1 55 TYR QE 1 66 VAL MG2 . . 3.060 2.664 2.603 2.775 . 0 0 "[ . 1 . 2]" 1
534 1 73 LEU MD2 1 80 TRP HH2 . . 4.660 4.667 4.625 4.687 0.027 16 0 "[ . 1 . 2]" 1
535 1 73 LEU MD1 1 80 TRP HH2 . . 4.350 3.898 3.842 3.941 . 0 0 "[ . 1 . 2]" 1
536 1 54 ARG HA 1 55 TYR HA . . 4.630 4.374 4.371 4.379 . 0 0 "[ . 1 . 2]" 1
537 1 18 ARG HA 1 19 VAL HA . . 4.370 4.369 4.367 4.371 0.001 20 0 "[ . 1 . 2]" 1
538 1 19 VAL HA 1 27 PRO HA . . 4.100 3.860 3.657 3.946 . 0 0 "[ . 1 . 2]" 1
539 1 19 VAL HA 1 19 VAL MG2 . . 3.280 3.183 3.167 3.193 . 0 0 "[ . 1 . 2]" 1
540 1 19 VAL HA 1 19 VAL MG1 . . 3.140 2.187 2.118 2.266 . 0 0 "[ . 1 . 2]" 1
541 1 19 VAL HA 1 85 TYR HB3 . . 4.330 4.138 4.029 4.281 . 0 0 "[ . 1 . 2]" 1
542 1 53 LEU HA 1 53 LEU MD1 . . 4.350 1.954 1.925 1.960 . 0 0 "[ . 1 . 2]" 1
543 1 68 LEU HA 1 68 LEU HG . . 3.780 3.697 3.685 3.735 . 0 0 "[ . 1 . 2]" 1
544 1 68 LEU HA 1 73 LEU MD1 . . 4.350 2.342 2.173 2.464 . 0 0 "[ . 1 . 2]" 1
545 1 68 LEU HA 1 68 LEU MD2 . . 2.910 1.938 1.904 1.951 . 0 0 "[ . 1 . 2]" 1
546 1 66 VAL MG1 1 73 LEU HA . . 3.620 3.297 3.090 3.394 . 0 0 "[ . 1 . 2]" 1
547 1 73 LEU HA 1 73 LEU HG . . 4.220 3.706 3.702 3.710 . 0 0 "[ . 1 . 2]" 1
548 1 73 LEU HA 1 73 LEU MD1 . . 4.510 1.922 1.913 1.930 . 0 0 "[ . 1 . 2]" 1
549 1 16 TYR HA 1 17 ILE MG . . 4.230 3.699 3.605 3.785 . 0 0 "[ . 1 . 2]" 1
550 1 47 PHE HA 1 48 PRO HG2 . . 4.210 4.185 4.172 4.199 . 0 0 "[ . 1 . 2]" 1
551 1 25 ASP HA 1 26 GLU QB . . 4.730 4.238 4.137 4.490 . 0 0 "[ . 1 . 2]" 1
552 1 47 PHE HA 1 48 PRO HG3 . . 5.210 4.615 4.590 4.642 . 0 0 "[ . 1 . 2]" 1
553 1 37 THR HA 1 75 ALA HA . . 4.950 4.904 4.781 4.977 0.027 17 0 "[ . 1 . 2]" 1
554 1 87 VAL HB 1 88 ASN HA . . 4.330 4.248 4.170 4.399 0.069 4 0 "[ . 1 . 2]" 1
555 1 37 THR HA 1 72 ILE MG . . 3.990 3.904 3.872 3.966 . 0 0 "[ . 1 . 2]" 1
556 1 55 TYR HA 1 66 VAL MG2 . . 5.080 3.650 3.511 3.823 . 0 0 "[ . 1 . 2]" 1
557 1 27 PRO HA 1 28 ILE MG . . 3.680 3.703 3.629 3.782 0.102 20 0 "[ . 1 . 2]" 1
558 1 30 ILE HA 1 30 ILE MG . . 2.990 1.989 1.945 2.017 . 0 0 "[ . 1 . 2]" 1
559 1 86 VAL HA 1 86 VAL MG1 . . 3.440 2.354 2.282 2.394 . 0 0 "[ . 1 . 2]" 1
560 1 57 ASN HA 1 58 PRO HB3 . . 5.080 4.870 4.829 4.913 . 0 0 "[ . 1 . 2]" 1
561 1 54 ARG HB2 1 86 VAL HA . . 5.380 4.650 4.480 4.799 . 0 0 "[ . 1 . 2]" 1
562 1 37 THR HA 1 37 THR MG . . 3.010 2.346 2.333 2.363 . 0 0 "[ . 1 . 2]" 1
563 1 86 VAL HA 1 86 VAL MG2 . . 2.870 2.317 2.234 2.436 . 0 0 "[ . 1 . 2]" 1
564 1 23 GLU HA 1 24 ASN HA . . 4.810 4.725 4.656 4.752 . 0 0 "[ . 1 . 2]" 1
565 1 21 GLU HB3 1 22 ASP HA . . 4.550 4.281 4.194 4.398 . 0 0 "[ . 1 . 2]" 1
566 1 73 LEU HA 1 74 HIS HA . . 4.430 4.408 4.394 4.430 0.000 2 0 "[ . 1 . 2]" 1
567 1 17 ILE HA 1 80 TRP HB2 . . 3.940 2.496 2.430 2.584 . 0 0 "[ . 1 . 2]" 1
568 1 17 ILE HA 1 17 ILE MG . . 3.300 3.173 3.168 3.177 . 0 0 "[ . 1 . 2]" 1
569 1 17 ILE HA 1 17 ILE MD . . 3.950 3.816 3.794 3.830 . 0 0 "[ . 1 . 2]" 1
570 1 13 MET HA 1 13 MET QG . . 3.720 2.338 2.003 3.328 . 0 0 "[ . 1 . 2]" 1
571 1 17 ILE HA 1 19 VAL MG1 . . 4.550 4.577 4.521 4.659 0.109 16 0 "[ . 1 . 2]" 1
572 1 35 ASP HA 1 36 GLY HA3 . . 4.710 4.512 4.511 4.514 . 0 0 "[ . 1 . 2]" 1
573 1 20 THR HB 1 26 GLU HA . . 4.460 4.285 4.136 4.454 . 0 0 "[ . 1 . 2]" 1
574 1 75 ALA HA 1 80 TRP HA . . 4.730 4.583 4.536 4.684 . 0 0 "[ . 1 . 2]" 1
575 1 64 ARG HA 1 64 ARG QG . . 3.920 2.489 2.061 3.350 . 0 0 "[ . 1 . 2]" 1
576 1 39 LEU HA 1 39 LEU HG . . 3.780 3.025 2.458 3.640 . 0 0 "[ . 1 . 2]" 1
577 1 28 ILE HA 1 28 ILE MG . . 3.220 3.199 3.190 3.202 . 0 0 "[ . 1 . 2]" 1
578 1 43 VAL MG1 1 48 PRO HA . . 4.770 4.791 4.775 4.804 0.034 15 0 "[ . 1 . 2]" 1
579 1 41 SER HA 1 44 THR H . . 4.570 3.692 3.551 3.840 . 0 0 "[ . 1 . 2]" 1
580 1 57 ASN HB3 1 60 SER HA . . 4.270 4.203 4.097 4.319 0.049 11 0 "[ . 1 . 2]" 1
581 1 48 PRO HB2 1 49 GLY HA3 . . 4.270 4.210 4.200 4.246 . 0 0 "[ . 1 . 2]" 1
582 1 38 VAL HA 1 38 VAL MG2 . . 3.070 2.370 2.355 2.379 . 0 0 "[ . 1 . 2]" 1
583 1 44 THR HB 1 49 GLY H . . 4.010 3.572 3.470 3.737 . 0 0 "[ . 1 . 2]" 1
584 1 38 VAL HA 1 38 VAL MG1 . . 3.070 2.415 2.392 2.447 . 0 0 "[ . 1 . 2]" 1
585 1 58 PRO HA 1 60 SER H . . 4.400 4.460 4.413 4.495 0.095 13 0 "[ . 1 . 2]" 1
586 1 35 ASP H 1 36 GLY HA2 . . 5.010 5.016 5.006 5.029 0.019 8 0 "[ . 1 . 2]" 1
587 1 36 GLY HA2 1 80 TRP HE1 . . 4.270 3.978 3.904 4.042 . 0 0 "[ . 1 . 2]" 1
588 1 38 VAL HA 1 73 LEU H . . 5.190 4.918 4.802 4.993 . 0 0 "[ . 1 . 2]" 1
589 1 30 ILE H 1 31 PRO HA . . 5.500 5.167 5.122 5.272 . 0 0 "[ . 1 . 2]" 1
590 1 44 THR H 1 44 THR HB . . 4.180 3.629 3.614 3.640 . 0 0 "[ . 1 . 2]" 1
591 1 15 GLU H 1 36 GLY HA2 . . 4.040 4.052 4.046 4.058 0.018 16 0 "[ . 1 . 2]" 1
592 1 69 VAL HA 1 72 ILE H . . 5.140 4.984 4.960 5.019 . 0 0 "[ . 1 . 2]" 1
593 1 67 ARG HE 1 69 VAL HA . . 3.790 3.708 3.629 3.767 . 0 0 "[ . 1 . 2]" 1
594 1 38 VAL HA 1 80 TRP HZ2 . . 4.190 4.223 4.201 4.239 0.049 11 0 "[ . 1 . 2]" 1
595 1 42 THR HB 1 43 VAL HA . . 4.560 4.181 4.086 4.256 . 0 0 "[ . 1 . 2]" 1
596 1 69 VAL HA 1 69 VAL MG1 . . 3.330 3.182 3.180 3.194 . 0 0 "[ . 1 . 2]" 1
597 1 52 GLY HA3 1 53 LEU HA . . 4.560 4.481 4.474 4.489 . 0 0 "[ . 1 . 2]" 1
598 1 68 LEU HA 1 69 VAL HA . . 4.530 4.399 4.392 4.432 . 0 0 "[ . 1 . 2]" 1
599 1 56 ARG HE 1 58 PRO HA . . 5.350 3.937 3.348 4.241 . 0 0 "[ . 1 . 2]" 1
600 1 55 TYR QE 1 76 PRO HA . . 4.810 4.859 4.847 4.872 0.062 2 0 "[ . 1 . 2]" 1
601 1 51 CYS H 1 52 GLY HA3 . . 5.140 4.919 4.736 5.025 . 0 0 "[ . 1 . 2]" 1
602 1 55 TYR H 1 56 ARG HA . . 5.100 5.111 5.095 5.123 0.023 2 0 "[ . 1 . 2]" 1
603 1 78 ALA H 1 79 GLY HA2 . . 4.290 4.361 4.350 4.391 0.101 2 0 "[ . 1 . 2]" 1
604 1 64 ARG HE 1 76 PRO HA . . 4.530 4.062 3.428 4.531 0.001 14 0 "[ . 1 . 2]" 1
605 1 57 ASN HB3 1 58 PRO HA . . 5.500 4.968 4.757 5.094 . 0 0 "[ . 1 . 2]" 1
606 1 52 GLY HA3 1 88 ASN HB2 . . 4.660 3.764 2.590 4.681 0.021 9 0 "[ . 1 . 2]" 1
607 1 69 VAL HA 1 69 VAL MG2 . . 3.330 2.365 2.312 2.405 . 0 0 "[ . 1 . 2]" 1
608 1 52 GLY HA3 1 88 ASN H . . 4.570 4.441 4.159 4.576 0.006 7 0 "[ . 1 . 2]" 1
609 1 56 ARG HA 1 56 ARG HE . . 4.830 4.758 4.646 4.844 0.014 19 0 "[ . 1 . 2]" 1
610 1 14 SER QB 1 34 ASP HA . . 3.610 2.253 1.896 3.360 . 0 0 "[ . 1 . 2]" 1
611 1 39 LEU H 1 72 ILE HA . . 4.980 4.998 4.916 5.035 0.055 17 0 "[ . 1 . 2]" 1
612 1 15 GLU HA 1 16 TYR QD . . 4.380 3.667 3.328 3.918 . 0 0 "[ . 1 . 2]" 1
613 1 69 VAL H 1 72 ILE HA . . 4.920 4.902 4.862 4.929 0.009 15 0 "[ . 1 . 2]" 1
614 1 38 VAL H 1 72 ILE HA . . 4.100 4.175 4.149 4.195 0.095 13 0 "[ . 1 . 2]" 1
615 1 72 ILE HA 1 72 ILE HG13 . . 3.580 2.397 2.370 2.413 . 0 0 "[ . 1 . 2]" 1
616 1 43 VAL MG1 1 44 THR HA . . 3.740 3.169 3.097 3.232 . 0 0 "[ . 1 . 2]" 1
617 1 72 ILE HA 1 73 LEU MD2 . . 4.060 3.203 3.142 3.252 . 0 0 "[ . 1 . 2]" 1
618 1 65 GLY QA 1 66 VAL HA . . 4.260 4.028 3.957 4.088 . 0 0 "[ . 1 . 2]" 1
619 1 43 VAL HA 1 44 THR HA . . 4.780 4.738 4.715 4.775 . 0 0 "[ . 1 . 2]" 1
620 1 66 VAL HA 1 76 PRO HD3 . . 4.150 3.668 3.611 3.761 . 0 0 "[ . 1 . 2]" 1
621 1 66 VAL HA 1 66 VAL MG1 . . 3.130 2.419 2.411 2.426 . 0 0 "[ . 1 . 2]" 1
622 1 66 VAL HA 1 66 VAL MG2 . . 3.440 2.271 2.239 2.388 . 0 0 "[ . 1 . 2]" 1
623 1 68 LEU MD2 1 71 GLY HA2 . . 3.790 2.150 2.038 2.386 . 0 0 "[ . 1 . 2]" 1
624 1 44 THR HA 1 49 GLY H . . 4.400 3.635 3.575 3.687 . 0 0 "[ . 1 . 2]" 1
625 1 21 GLU HA 1 85 TYR H . . 4.900 4.022 3.865 4.127 . 0 0 "[ . 1 . 2]" 1
626 1 58 PRO HD2 1 59 VAL H . . 4.910 2.673 2.646 2.744 . 0 0 "[ . 1 . 2]" 1
627 1 21 GLU HA 1 87 VAL H . . 5.160 4.198 3.986 4.650 . 0 0 "[ . 1 . 2]" 1
628 1 21 GLU HA 1 85 TYR QD . . 3.980 3.374 3.239 3.470 . 0 0 "[ . 1 . 2]" 1
629 1 57 ASN HA 1 58 PRO HD2 . . 2.980 2.096 1.940 2.408 . 0 0 "[ . 1 . 2]" 1
630 1 63 MET HA 1 63 MET QG . . 3.820 2.272 2.011 3.322 . 0 0 "[ . 1 . 2]" 1
631 1 58 PRO HD2 1 59 VAL MG2 . . 3.370 3.301 3.180 3.371 0.001 20 0 "[ . 1 . 2]" 1
632 1 84 VAL HA 1 84 VAL MG1 . . 2.920 2.153 2.125 2.236 . 0 0 "[ . 1 . 2]" 1
633 1 84 VAL HA 1 84 VAL MG2 . . 2.920 2.462 2.411 2.497 . 0 0 "[ . 1 . 2]" 1
634 1 26 GLU QG 1 27 PRO HD2 . . 4.270 2.588 2.042 3.217 . 0 0 "[ . 1 . 2]" 1
635 1 42 THR HA 1 45 ALA H . . 4.370 3.303 3.183 3.471 . 0 0 "[ . 1 . 2]" 1
636 1 37 THR HB 1 80 TRP HZ2 . . 4.020 3.891 3.829 4.021 0.001 16 0 "[ . 1 . 2]" 1
637 1 22 ASP QB 1 23 GLU HA . . 4.580 4.492 4.267 4.575 . 0 0 "[ . 1 . 2]" 1
638 1 26 GLU QB 1 27 PRO HD2 . . 3.820 2.248 1.951 2.544 . 0 0 "[ . 1 . 2]" 1
639 1 36 GLY HA3 1 80 TRP HE1 . . 4.920 4.669 4.573 4.758 . 0 0 "[ . 1 . 2]" 1
640 1 56 ARG HE 1 58 PRO HD3 . . 4.100 3.807 2.768 4.154 0.054 20 0 "[ . 1 . 2]" 1
641 1 57 ASN HB3 1 58 PRO HD3 . . 5.010 4.408 3.972 4.876 . 0 0 "[ . 1 . 2]" 1
642 1 23 GLU HA 1 84 VAL HB . . 4.520 4.544 4.531 4.556 0.036 19 0 "[ . 1 . 2]" 1
643 1 56 ARG QD 1 58 PRO HD3 . . 4.560 4.097 2.909 4.630 0.070 20 0 "[ . 1 . 2]" 1
644 1 59 VAL HA 1 59 VAL MG1 . . 2.820 2.308 2.210 2.409 . 0 0 "[ . 1 . 2]" 1
645 1 32 SER HB2 1 38 VAL MG2 . . 5.610 1.899 1.887 1.914 . 0 0 "[ . 1 . 2]" 1
646 1 59 VAL HA 1 60 SER HA . . 5.320 4.688 4.672 4.754 . 0 0 "[ . 1 . 2]" 1
647 1 58 PRO HB2 1 59 VAL HA . . 4.740 4.098 3.980 4.139 . 0 0 "[ . 1 . 2]" 1
648 1 47 PHE HB2 1 50 ALA HA . . 5.300 5.272 5.198 5.313 0.013 10 0 "[ . 1 . 2]" 1
649 1 14 SER QB 1 34 ASP QB . . 4.310 3.169 2.596 4.167 . 0 0 "[ . 1 . 2]" 1
650 1 47 PHE HB3 1 50 ALA HA . . 4.930 4.969 4.931 4.997 0.067 11 0 "[ . 1 . 2]" 1
651 1 50 ALA HA 1 51 CYS HB2 . . 4.430 4.276 4.180 4.438 0.008 10 0 "[ . 1 . 2]" 1
652 1 21 GLU HG2 1 87 VAL HA . . 5.130 4.802 4.639 5.138 0.008 18 0 "[ . 1 . 2]" 1
653 1 26 GLU QB 1 27 PRO HD3 . . 3.820 3.540 3.266 3.747 . 0 0 "[ . 1 . 2]" 1
654 1 55 TYR HB3 1 65 GLY QA . . 4.930 3.650 3.625 3.734 . 0 0 "[ . 1 . 2]" 1
655 1 54 ARG HA 1 65 GLY QA . . 4.340 2.736 2.423 2.851 . 0 0 "[ . 1 . 2]" 1
656 1 26 GLU QG 1 27 PRO HD3 . . 4.270 3.525 3.031 4.326 0.056 19 0 "[ . 1 . 2]" 1
657 1 54 ARG HB2 1 65 GLY QA . . 5.000 4.972 4.649 5.061 0.061 8 0 "[ . 1 . 2]" 1
658 1 54 ARG HB3 1 65 GLY QA . . 5.250 4.677 4.413 4.792 . 0 0 "[ . 1 . 2]" 1
659 1 65 GLY QA 1 66 VAL MG2 . . 4.710 3.638 3.448 3.715 . 0 0 "[ . 1 . 2]" 1
660 1 54 ARG HD3 1 65 GLY QA . . 5.180 4.712 3.959 5.205 0.025 1 0 "[ . 1 . 2]" 1
661 1 31 PRO QD 1 42 THR MG . . 3.110 2.393 2.146 2.636 . 0 0 "[ . 1 . 2]" 1
662 1 47 PHE HB2 1 48 PRO HD2 . . 4.880 4.738 4.721 4.749 . 0 0 "[ . 1 . 2]" 1
663 1 47 PHE HB3 1 48 PRO HD2 . . 4.200 4.164 4.123 4.206 0.006 11 0 "[ . 1 . 2]" 1
664 1 52 GLY HA2 1 68 LEU HG . . 3.820 3.771 3.610 3.828 0.008 16 0 "[ . 1 . 2]" 1
665 1 30 ILE MD 1 43 VAL HA . . 3.250 3.113 2.973 3.263 0.013 20 0 "[ . 1 . 2]" 1
666 1 43 VAL HA 1 43 VAL MG1 . . 3.110 2.547 2.507 2.589 . 0 0 "[ . 1 . 2]" 1
667 1 43 VAL HA 1 47 PHE HB2 . . 4.260 4.191 4.000 4.269 0.009 4 0 "[ . 1 . 2]" 1
668 1 43 VAL HA 1 43 VAL MG2 . . 3.250 2.135 2.076 2.223 . 0 0 "[ . 1 . 2]" 1
669 1 43 VAL HA 1 45 ALA MB . . 4.660 4.529 4.436 4.672 0.012 20 0 "[ . 1 . 2]" 1
670 1 78 ALA MB 1 79 GLY HA3 . . 4.210 4.089 3.990 4.150 . 0 0 "[ . 1 . 2]" 1
671 1 57 ASN HB3 1 58 PRO HD2 . . 4.030 3.250 2.660 4.022 . 0 0 "[ . 1 . 2]" 1
672 1 18 ARG QD 1 27 PRO HB2 . . 4.640 2.715 1.991 4.315 . 0 0 "[ . 1 . 2]" 1
673 1 17 ILE HG12 1 80 TRP HB3 . . 3.750 3.783 3.689 3.841 0.091 1 0 "[ . 1 . 2]" 1
674 1 54 ARG HB2 1 54 ARG HD2 . . 4.100 2.965 2.026 3.514 . 0 0 "[ . 1 . 2]" 1
675 1 17 ILE HG13 1 80 TRP HB3 . . 3.420 2.201 2.129 2.248 . 0 0 "[ . 1 . 2]" 1
676 1 17 ILE MD 1 80 TRP HB3 . . 4.140 3.654 3.603 3.693 . 0 0 "[ . 1 . 2]" 1
677 1 43 VAL MG1 1 47 PHE HB3 . . 3.870 3.743 3.649 3.789 . 0 0 "[ . 1 . 2]" 1
678 1 21 GLU HG3 1 47 PHE HB3 . . 4.360 3.821 3.550 3.994 . 0 0 "[ . 1 . 2]" 1
679 1 53 LEU HB3 1 85 TYR HB2 . . 3.650 2.890 2.865 2.915 . 0 0 "[ . 1 . 2]" 1
680 1 47 PHE HB3 1 50 ALA MB . . 3.540 2.389 2.311 2.469 . 0 0 "[ . 1 . 2]" 1
681 1 53 LEU HB2 1 85 TYR HB2 . . 3.990 4.109 4.090 4.134 0.144 17 0 "[ . 1 . 2]" 1
682 1 19 VAL MG1 1 85 TYR HB2 . . 4.240 3.456 3.307 3.590 . 0 0 "[ . 1 . 2]" 1
683 1 54 ARG HB2 1 54 ARG HD3 . . 4.100 3.426 1.998 3.998 . 0 0 "[ . 1 . 2]" 1
684 1 75 ALA MB 1 76 PRO HD2 . . 3.310 2.067 1.964 2.133 . 0 0 "[ . 1 . 2]" 1
685 1 51 CYS HB3 1 52 GLY HA3 . . 4.180 3.983 3.884 4.183 0.003 16 0 "[ . 1 . 2]" 1
686 1 47 PHE HB2 1 50 ALA MB . . 3.370 2.392 2.306 2.447 . 0 0 "[ . 1 . 2]" 1
687 1 30 ILE MG 1 46 GLN HG2 . . 4.360 3.049 2.699 3.561 . 0 0 "[ . 1 . 2]" 1
688 1 25 ASP HA 1 26 GLU QG . . 5.500 4.525 3.762 5.244 . 0 0 "[ . 1 . 2]" 1
689 1 21 GLU HG3 1 47 PHE HA . . 5.500 4.727 4.427 4.924 . 0 0 "[ . 1 . 2]" 1
690 1 43 VAL HB 1 44 THR MG . . 3.600 3.329 3.258 3.404 . 0 0 "[ . 1 . 2]" 1
691 1 75 ALA HA 1 76 PRO HD3 . . 3.560 2.314 2.299 2.328 . 0 0 "[ . 1 . 2]" 1
692 1 75 ALA MB 1 76 PRO HD3 . . 3.290 3.240 3.195 3.289 . 0 0 "[ . 1 . 2]" 1
693 1 55 TYR HB2 1 64 ARG HA . . 5.090 4.451 4.244 4.943 . 0 0 "[ . 1 . 2]" 1
694 1 69 VAL HA 1 70 GLU QG . . 4.200 3.749 3.637 4.056 . 0 0 "[ . 1 . 2]" 1
695 1 69 VAL MG2 1 70 GLU QG . . 3.670 1.890 1.853 1.977 . 0 0 "[ . 1 . 2]" 1
696 1 70 GLU HA 1 70 GLU QG . . 3.330 2.602 2.410 3.062 . 0 0 "[ . 1 . 2]" 1
697 1 76 PRO HG2 1 79 GLY HA2 . . 4.220 3.606 3.501 3.838 . 0 0 "[ . 1 . 2]" 1
698 1 33 GLU QG 1 38 VAL HA . . 5.500 4.045 2.746 5.474 . 0 0 "[ . 1 . 2]" 1
699 1 73 LEU HB2 1 73 LEU MD1 . . 3.260 3.194 3.193 3.195 . 0 0 "[ . 1 . 2]" 1
700 1 38 VAL MG1 1 73 LEU HB2 . . 3.940 3.230 3.119 3.331 . 0 0 "[ . 1 . 2]" 1
701 1 38 VAL MG2 1 73 LEU HB2 . . 3.940 3.671 3.610 3.762 . 0 0 "[ . 1 . 2]" 1
702 1 72 ILE HB 1 72 ILE MD . . 2.890 2.065 1.990 2.183 . 0 0 "[ . 1 . 2]" 1
703 1 59 VAL HA 1 61 GLN QG . . 3.700 3.569 3.311 3.701 0.001 18 0 "[ . 1 . 2]" 1
704 1 58 PRO QG 1 59 VAL MG1 . . 2.910 2.519 2.356 2.689 . 0 0 "[ . 1 . 2]" 1
705 1 60 SER HA 1 61 GLN QG . . 4.400 3.971 3.607 4.301 . 0 0 "[ . 1 . 2]" 1
706 1 53 LEU HB3 1 66 VAL HB . . 3.790 3.845 3.816 3.983 0.193 17 0 "[ . 1 . 2]" 1
707 1 15 GLU HB2 1 36 GLY HA2 . . 5.500 4.538 3.911 4.879 . 0 0 "[ . 1 . 2]" 1
708 1 48 PRO HG2 1 49 GLY HA3 . . 5.500 4.965 4.957 4.974 . 0 0 "[ . 1 . 2]" 1
709 1 66 VAL HB 1 67 ARG HA . . 5.500 5.189 5.055 5.292 . 0 0 "[ . 1 . 2]" 1
710 1 27 PRO HB3 1 84 VAL HA . . 5.500 4.713 4.397 4.990 . 0 0 "[ . 1 . 2]" 1
711 1 20 THR HB 1 27 PRO HB3 . . 4.090 3.847 3.767 3.941 . 0 0 "[ . 1 . 2]" 1
712 1 18 ARG HB2 1 19 VAL MG1 . . 5.040 4.702 4.504 4.845 . 0 0 "[ . 1 . 2]" 1
713 1 30 ILE HB 1 42 THR HB . . 4.310 4.361 4.336 4.391 0.081 12 0 "[ . 1 . 2]" 1
714 1 44 THR HA 1 48 PRO HB3 . . 4.880 4.136 4.059 4.204 . 0 0 "[ . 1 . 2]" 1
715 1 30 ILE HB 1 30 ILE MD . . 3.260 2.293 2.253 2.340 . 0 0 "[ . 1 . 2]" 1
716 1 28 ILE MG 1 46 GLN HB2 . . 4.980 3.299 3.097 3.588 . 0 0 "[ . 1 . 2]" 1
717 1 64 ARG QB 1 64 ARG HD2 . . 3.910 2.482 1.965 3.297 . 0 0 "[ . 1 . 2]" 1
718 1 64 ARG QB 1 64 ARG HD3 . . 3.910 2.532 1.963 2.998 . 0 0 "[ . 1 . 2]" 1
719 1 31 PRO QD 1 45 ALA MB . . 4.740 4.522 4.375 4.707 . 0 0 "[ . 1 . 2]" 1
720 1 64 ARG QB 1 65 GLY QA . . 5.010 3.621 3.470 3.907 . 0 0 "[ . 1 . 2]" 1
721 1 55 TYR HB2 1 64 ARG QB . . 4.230 2.955 2.382 4.239 0.009 6 0 "[ . 1 . 2]" 1
722 1 53 LEU HG 1 85 TYR HB2 . . 4.710 4.704 4.637 4.737 0.027 14 0 "[ . 1 . 2]" 1
723 1 17 ILE HB 1 17 ILE HG13 . . 2.930 2.488 2.480 2.504 . 0 0 "[ . 1 . 2]" 1
724 1 67 ARG QG 1 74 HIS HA . . 5.470 5.046 4.690 5.475 0.005 17 0 "[ . 1 . 2]" 1
725 1 67 ARG QG 1 74 HIS HB3 . . 4.370 2.988 2.704 3.252 . 0 0 "[ . 1 . 2]" 1
726 1 17 ILE HB 1 17 ILE MD . . 3.170 2.323 2.300 2.344 . 0 0 "[ . 1 . 2]" 1
727 1 43 VAL MG1 1 44 THR MG . . 2.690 2.727 2.699 2.741 0.051 16 0 "[ . 1 . 2]" 1
728 1 67 ARG QG 1 69 VAL HB . . 3.990 3.457 3.372 3.512 . 0 0 "[ . 1 . 2]" 1
729 1 43 VAL MG1 1 50 ALA MB . . 2.550 2.562 2.524 2.603 0.053 14 0 "[ . 1 . 2]" 1
730 1 66 VAL MG1 1 75 ALA HA . . 4.560 3.518 3.328 3.648 . 0 0 "[ . 1 . 2]" 1
731 1 64 ARG QG 1 76 PRO QB . . 4.570 3.925 3.502 4.611 0.041 19 0 "[ . 1 . 2]" 1
732 1 58 PRO HB2 1 59 VAL MG1 . . 4.150 3.315 3.103 3.531 . 0 0 "[ . 1 . 2]" 1
733 1 17 ILE HA 1 17 ILE HG13 . . 4.180 2.589 2.555 2.626 . 0 0 "[ . 1 . 2]" 1
734 1 59 VAL MG2 1 60 SER HA . . 4.810 3.396 3.218 3.582 . 0 0 "[ . 1 . 2]" 1
735 1 21 GLU HB2 1 28 ILE MG . . 5.390 4.895 4.746 5.058 . 0 0 "[ . 1 . 2]" 1
736 1 58 PRO HB2 1 59 VAL MG2 . . 5.500 4.661 4.461 4.813 . 0 0 "[ . 1 . 2]" 1
737 1 20 THR HB 1 28 ILE MG . . 3.600 3.637 3.489 3.770 0.170 16 0 "[ . 1 . 2]" 1
738 1 54 ARG HB3 1 86 VAL MG2 . . 3.340 2.854 2.539 2.983 . 0 0 "[ . 1 . 2]" 1
739 1 85 TYR HA 1 86 VAL MG2 . . 4.610 3.563 3.372 3.687 . 0 0 "[ . 1 . 2]" 1
740 1 19 VAL MG1 1 82 ASN HA . . 4.530 4.098 3.915 4.362 . 0 0 "[ . 1 . 2]" 1
741 1 43 VAL MG1 1 47 PHE HA . . 4.760 4.799 4.743 4.826 0.066 20 0 "[ . 1 . 2]" 1
742 1 18 ARG HA 1 19 VAL MG1 . . 4.240 4.207 4.158 4.255 0.015 20 0 "[ . 1 . 2]" 1
743 1 43 VAL MG2 1 73 LEU HB2 . . 3.810 3.088 2.896 3.212 . 0 0 "[ . 1 . 2]" 1
744 1 37 THR MG 1 75 ALA MB . . 4.250 3.774 3.697 3.875 . 0 0 "[ . 1 . 2]" 1
745 1 43 VAL MG1 1 47 PHE HB2 . . 3.890 2.287 2.228 2.323 . 0 0 "[ . 1 . 2]" 1
746 1 42 THR HB 1 43 VAL MG2 . . 4.700 3.625 3.540 3.698 . 0 0 "[ . 1 . 2]" 1
747 1 68 LEU MD2 1 69 VAL HA . . 5.020 3.464 3.415 3.543 . 0 0 "[ . 1 . 2]" 1
748 1 37 THR MG 1 74 HIS HB2 . . 3.380 3.412 3.396 3.443 0.063 18 0 "[ . 1 . 2]" 1
749 1 19 VAL MG1 1 85 TYR HB3 . . 3.360 2.582 2.451 2.662 . 0 0 "[ . 1 . 2]" 1
750 1 17 ILE MD 1 30 ILE MD . . 3.220 2.566 2.444 2.736 . 0 0 "[ . 1 . 2]" 1
751 1 30 ILE MG 1 42 THR MG . . 3.600 1.978 1.836 2.153 . 0 0 "[ . 1 . 2]" 1
752 1 30 ILE MD 1 42 THR MG . . 3.910 2.305 1.971 2.930 . 0 0 "[ . 1 . 2]" 1
753 1 54 ARG HB2 1 86 VAL MG1 . . 3.500 3.316 3.153 3.455 . 0 0 "[ . 1 . 2]" 1
754 1 30 ILE MD 1 45 ALA MB . . 4.930 4.349 4.217 4.508 . 0 0 "[ . 1 . 2]" 1
755 1 32 SER HB3 1 38 VAL MG1 . . 5.610 4.323 4.155 4.530 . 0 0 "[ . 1 . 2]" 1
756 1 17 ILE HG12 1 19 VAL MG1 . . 3.380 3.079 2.985 3.163 . 0 0 "[ . 1 . 2]" 1
757 1 17 ILE MG 1 80 TRP HB3 . . 4.530 4.509 4.474 4.569 0.039 16 0 "[ . 1 . 2]" 1
758 1 17 ILE MD 1 19 VAL MG1 . . 3.070 2.854 2.748 3.047 . 0 0 "[ . 1 . 2]" 1
759 1 19 VAL HA 1 82 ASN HA . . 4.180 4.187 4.117 4.228 0.048 19 0 "[ . 1 . 2]" 1
760 1 19 VAL HA 1 20 THR HA . . 4.470 4.428 4.397 4.512 0.042 20 0 "[ . 1 . 2]" 1
761 1 16 TYR HA 1 32 SER HA . . 5.360 4.364 4.270 4.528 . 0 0 "[ . 1 . 2]" 1
762 1 62 CYS HA 1 63 MET HA . . 4.610 4.455 4.347 4.564 . 0 0 "[ . 1 . 2]" 1
763 1 40 LEU HA 1 43 VAL HA . . 5.500 5.227 5.173 5.260 . 0 0 "[ . 1 . 2]" 1
764 1 42 THR HA 1 43 VAL HA . . 5.500 4.821 4.771 4.862 . 0 0 "[ . 1 . 2]" 1
765 1 3 GLY QA 1 4 SER HA . . 4.300 4.022 3.931 4.259 . 0 0 "[ . 1 . 2]" 1
766 1 22 ASP QB 1 23 GLU QG . . 3.920 3.714 3.509 3.930 0.010 11 0 "[ . 1 . 2]" 1
767 1 30 ILE HB 1 45 ALA MB . . 5.310 5.071 4.812 5.303 . 0 0 "[ . 1 . 2]" 1
768 1 30 ILE HB 1 42 THR MG . . 2.950 2.055 1.938 2.304 . 0 0 "[ . 1 . 2]" 1
769 1 17 ILE HG13 1 19 VAL MG2 . . 4.410 2.867 2.756 3.072 . 0 0 "[ . 1 . 2]" 1
770 1 19 VAL MG2 1 28 ILE MG . . 4.860 3.258 2.807 3.388 . 0 0 "[ . 1 . 2]" 1
771 1 17 ILE HG12 1 19 VAL MG2 . . 2.860 1.979 1.932 2.040 . 0 0 "[ . 1 . 2]" 1
772 1 55 TYR HA 1 66 VAL H . . 4.940 4.368 4.065 4.828 . 0 0 "[ . 1 . 2]" 1
773 1 58 PRO HA 1 61 GLN H . . 4.510 3.763 3.567 3.870 . 0 0 "[ . 1 . 2]" 1
774 1 51 CYS H 1 52 GLY H . . 4.090 2.379 2.159 2.497 . 0 0 "[ . 1 . 2]" 1
775 1 85 TYR QE 1 87 VAL H . . 3.980 3.394 3.259 3.738 . 0 0 "[ . 1 . 2]" 1
776 1 23 GLU QB 1 24 ASN H . . 4.310 3.434 2.692 3.495 . 0 0 "[ . 1 . 2]" 1
777 1 59 VAL H 1 60 SER H . . 4.370 2.357 2.300 2.553 . 0 0 "[ . 1 . 2]" 1
778 1 89 TYR H 1 89 TYR QE . . 4.490 4.442 4.221 4.513 0.023 8 0 "[ . 1 . 2]" 1
779 1 60 SER H 1 61 GLN H . . 4.520 2.356 2.319 2.502 . 0 0 "[ . 1 . 2]" 1
780 1 61 GLN H 1 62 CYS H . . 5.160 2.753 2.624 2.879 . 0 0 "[ . 1 . 2]" 1
781 1 55 TYR QD 1 83 LEU H . . 5.500 5.544 5.518 5.683 0.183 2 0 "[ . 1 . 2]" 1
782 1 78 ALA H 1 79 GLY H . . 4.330 1.996 1.981 2.044 . 0 0 "[ . 1 . 2]" 1
783 1 36 GLY H 1 37 THR H . . 4.340 2.619 2.604 2.628 . 0 0 "[ . 1 . 2]" 1
784 1 68 LEU MD2 1 73 LEU MD1 . . 4.770 1.914 1.888 1.924 . 0 0 "[ . 1 . 2]" 1
785 1 55 TYR QE 1 83 LEU HG . . 5.000 2.341 2.225 4.067 . 0 0 "[ . 1 . 2]" 1
786 1 70 GLU H 1 72 ILE H . . 4.670 4.432 4.402 4.481 . 0 0 "[ . 1 . 2]" 1
787 1 80 TRP H 1 80 TRP HD1 . . 4.000 3.223 3.073 3.483 . 0 0 "[ . 1 . 2]" 1
788 1 80 TRP HA 1 80 TRP HD1 . . 4.560 4.499 4.475 4.511 . 0 0 "[ . 1 . 2]" 1
789 1 38 VAL H 1 80 TRP HZ2 . . 3.990 2.933 2.855 3.010 . 0 0 "[ . 1 . 2]" 1
790 1 38 VAL MG1 1 80 TRP HZ2 . . 4.370 4.339 4.241 4.381 0.011 19 0 "[ . 1 . 2]" 1
791 1 17 ILE HB 1 80 TRP HZ2 . . 4.790 4.198 4.070 4.304 . 0 0 "[ . 1 . 2]" 1
792 1 73 LEU HB3 1 80 TRP HZ2 . . 5.100 3.944 3.836 4.057 . 0 0 "[ . 1 . 2]" 1
793 1 55 TYR QE 1 76 PRO HD3 . . 3.870 2.046 1.966 2.190 . 0 0 "[ . 1 . 2]" 1
794 1 55 TYR QE 1 64 ARG HD3 . . 4.300 3.740 3.081 4.310 0.010 7 0 "[ . 1 . 2]" 1
795 1 21 GLU HG3 1 85 TYR QE . . 3.770 3.651 3.473 3.787 0.017 4 0 "[ . 1 . 2]" 1
796 1 75 ALA MB 1 80 TRP HD1 . . 4.060 3.883 3.832 3.983 . 0 0 "[ . 1 . 2]" 1
797 1 80 TRP HB3 1 80 TRP HD1 . . 3.700 3.615 3.592 3.642 . 0 0 "[ . 1 . 2]" 1
798 1 37 THR MG 1 74 HIS HE1 . . 4.100 2.850 2.812 2.884 . 0 0 "[ . 1 . 2]" 1
799 1 5 HIS H 1 5 HIS QB . . 3.620 2.735 2.243 3.393 . 0 0 "[ . 1 . 2]" 1
800 1 11 GLY QA 1 12 SER HA . . 4.780 4.011 3.939 4.125 . 0 0 "[ . 1 . 2]" 1
801 1 15 GLU H 1 15 GLU QB . . 3.610 2.399 2.322 2.648 . 0 0 "[ . 1 . 2]" 1
802 1 15 GLU QB 1 16 TYR H . . 4.230 2.137 1.928 2.238 . 0 0 "[ . 1 . 2]" 1
803 1 15 GLU QB 1 36 GLY HA2 . . 4.840 4.152 3.832 4.434 . 0 0 "[ . 1 . 2]" 1
804 1 16 TYR HB2 1 29 GLU QB . . 3.840 3.707 3.520 3.882 0.042 1 0 "[ . 1 . 2]" 1
805 1 16 TYR QD 1 18 ARG QG . . 3.580 2.826 2.095 3.159 . 0 0 "[ . 1 . 2]" 1
806 1 16 TYR QD 1 29 GLU QB . . 4.120 3.522 3.046 3.836 . 0 0 "[ . 1 . 2]" 1
807 1 16 TYR QE 1 18 ARG QG . . 4.230 2.807 2.033 3.128 . 0 0 "[ . 1 . 2]" 1
808 1 16 TYR QE 1 82 ASN QD . . 4.320 3.725 3.233 4.342 0.022 18 0 "[ . 1 . 2]" 1
809 1 17 ILE HB 1 32 SER QB . . 4.230 3.310 3.250 3.352 . 0 0 "[ . 1 . 2]" 1
810 1 17 ILE HB 1 38 VAL QG . . 3.640 2.424 2.324 2.582 . 0 0 "[ . 1 . 2]" 1
811 1 17 ILE MG 1 32 SER QB . . 3.120 2.557 2.325 2.703 . 0 0 "[ . 1 . 2]" 1
812 1 17 ILE MG 1 38 VAL QG . . 4.170 1.795 1.764 1.825 . 0 0 "[ . 1 . 2]" 1
813 1 17 ILE HG13 1 38 VAL QG . . 4.010 3.977 3.923 4.038 0.028 19 0 "[ . 1 . 2]" 1
814 1 17 ILE MD 1 32 SER QB . . 4.760 4.398 4.313 4.455 . 0 0 "[ . 1 . 2]" 1
815 1 17 ILE MD 1 38 VAL QG . . 3.440 2.141 2.010 2.246 . 0 0 "[ . 1 . 2]" 1
816 1 18 ARG H 1 18 ARG QG . . 3.970 3.550 3.167 3.677 . 0 0 "[ . 1 . 2]" 1
817 1 18 ARG HA 1 18 ARG QG . . 3.710 2.071 2.017 2.225 . 0 0 "[ . 1 . 2]" 1
818 1 18 ARG HE 1 18 ARG QG . . 3.600 2.201 2.105 2.420 . 0 0 "[ . 1 . 2]" 1
819 1 18 ARG QG 1 29 GLU HA . . 5.150 2.144 1.973 2.351 . 0 0 "[ . 1 . 2]" 1
820 1 18 ARG QD 1 27 PRO QG . . 5.080 3.245 2.495 4.677 . 0 0 "[ . 1 . 2]" 1
821 1 18 ARG QD 1 29 GLU QB . . 4.130 2.569 2.225 3.650 . 0 0 "[ . 1 . 2]" 1
822 1 18 ARG QD 1 29 GLU QG . . 4.320 3.816 1.879 4.262 . 0 0 "[ . 1 . 2]" 1
823 1 19 VAL HA 1 84 VAL QG . . 5.440 4.429 4.359 4.481 . 0 0 "[ . 1 . 2]" 1
824 1 20 THR H 1 84 VAL QG . . 3.350 3.034 2.935 3.175 . 0 0 "[ . 1 . 2]" 1
825 1 20 THR HB 1 27 PRO QD . . 5.330 4.070 3.938 4.213 . 0 0 "[ . 1 . 2]" 1
826 1 21 GLU H 1 87 VAL QG . . 5.290 5.048 4.936 5.228 . 0 0 "[ . 1 . 2]" 1
827 1 21 GLU HA 1 84 VAL QG . . 4.450 4.041 3.901 4.149 . 0 0 "[ . 1 . 2]" 1
828 1 21 GLU HA 1 87 VAL QG . . 3.430 3.200 3.089 3.341 . 0 0 "[ . 1 . 2]" 1
829 1 21 GLU HB2 1 87 VAL QG . . 4.250 3.557 3.448 3.751 . 0 0 "[ . 1 . 2]" 1
830 1 21 GLU HB3 1 87 VAL QG . . 4.730 3.984 3.916 4.125 . 0 0 "[ . 1 . 2]" 1
831 1 21 GLU HG2 1 87 VAL QG . . 3.190 1.965 1.918 2.031 . 0 0 "[ . 1 . 2]" 1
832 1 21 GLU HG3 1 87 VAL QG . . 4.740 2.005 1.919 2.184 . 0 0 "[ . 1 . 2]" 1
833 1 22 ASP HA 1 84 VAL QG . . 4.580 3.944 3.597 4.128 . 0 0 "[ . 1 . 2]" 1
834 1 22 ASP QB 1 84 VAL QG . . 4.830 4.628 4.429 4.726 . 0 0 "[ . 1 . 2]" 1
835 1 23 GLU HA 1 84 VAL QG . . 3.210 2.105 2.061 2.219 . 0 0 "[ . 1 . 2]" 1
836 1 24 ASN H 1 24 ASN QB . . 3.380 2.255 2.071 2.624 . 0 0 "[ . 1 . 2]" 1
837 1 24 ASN QB 1 25 ASP H . . 4.300 3.001 2.855 3.571 . 0 0 "[ . 1 . 2]" 1
838 1 25 ASP H 1 25 ASP QB . . 3.330 2.210 2.082 2.325 . 0 0 "[ . 1 . 2]" 1
839 1 25 ASP QB 1 26 GLU H . . 3.710 3.018 2.572 3.656 . 0 0 "[ . 1 . 2]" 1
840 1 26 GLU HA 1 27 PRO QD . . 2.430 2.091 2.076 2.113 . 0 0 "[ . 1 . 2]" 1
841 1 26 GLU QB 1 27 PRO QD . . 3.260 2.224 1.936 2.504 . 0 0 "[ . 1 . 2]" 1
842 1 26 GLU QG 1 27 PRO QD . . 3.700 2.522 2.014 3.135 . 0 0 "[ . 1 . 2]" 1
843 1 28 ILE H 1 28 ILE QG . . 4.100 4.040 4.021 4.055 . 0 0 "[ . 1 . 2]" 1
844 1 28 ILE QG 1 28 ILE MG . . 2.810 2.124 2.068 2.522 . 0 0 "[ . 1 . 2]" 1
845 1 28 ILE QG 1 29 GLU H . . 4.280 2.600 2.022 2.961 . 0 0 "[ . 1 . 2]" 1
846 1 28 ILE QG 1 29 GLU HA . . 3.970 3.848 3.757 4.121 0.151 19 0 "[ . 1 . 2]" 1
847 1 28 ILE QG 1 46 GLN HB3 . . 3.510 3.434 3.231 3.841 0.331 20 0 "[ . 1 . 2]" 1
848 1 28 ILE QG 1 46 GLN QG . . 3.670 2.800 1.885 3.532 . 0 0 "[ . 1 . 2]" 1
849 1 29 GLU H 1 29 GLU QG . . 3.670 2.075 1.919 2.548 . 0 0 "[ . 1 . 2]" 1
850 1 30 ILE HB 1 38 VAL QG . . 4.380 3.624 3.394 3.848 . 0 0 "[ . 1 . 2]" 1
851 1 30 ILE HB 1 46 GLN QG . . 5.150 5.002 4.790 5.220 0.070 20 0 "[ . 1 . 2]" 1
852 1 30 ILE MG 1 46 GLN QG . . 3.780 2.438 2.234 2.639 . 0 0 "[ . 1 . 2]" 1
853 1 30 ILE HG12 1 46 GLN QG . . 4.130 4.106 3.699 4.186 0.056 4 0 "[ . 1 . 2]" 1
854 1 30 ILE MD 1 38 VAL QG . . 2.840 2.630 2.312 2.834 . 0 0 "[ . 1 . 2]" 1
855 1 31 PRO HA 1 32 SER QB . . 4.440 4.140 4.010 4.252 . 0 0 "[ . 1 . 2]" 1
856 1 32 SER H 1 32 SER QB . . 3.690 2.547 2.353 2.784 . 0 0 "[ . 1 . 2]" 1
857 1 32 SER HA 1 38 VAL QG . . 3.580 2.379 2.295 2.472 . 0 0 "[ . 1 . 2]" 1
858 1 32 SER QB 1 38 VAL HA . . 4.700 2.979 2.873 3.014 . 0 0 "[ . 1 . 2]" 1
859 1 32 SER QB 1 38 VAL QG . . 3.390 1.847 1.833 1.869 . 0 0 "[ . 1 . 2]" 1
860 1 32 SER HB3 1 38 VAL MG2 . . 5.610 2.579 2.460 2.713 . 0 0 "[ . 1 . 2]" 1
861 1 32 SER QB 1 39 LEU H . . 4.710 4.697 4.576 4.740 0.030 1 0 "[ . 1 . 2]" 1
862 1 32 SER QB 1 80 TRP HD1 . . 4.160 3.767 3.667 3.846 . 0 0 "[ . 1 . 2]" 1
863 1 33 GLU H 1 38 VAL QG . . 3.980 3.247 3.182 3.355 . 0 0 "[ . 1 . 2]" 1
864 1 33 GLU QB 1 37 THR H . . 4.730 3.316 3.094 3.504 . 0 0 "[ . 1 . 2]" 1
865 1 33 GLU QB 1 37 THR MG . . 4.550 4.145 3.884 4.346 . 0 0 "[ . 1 . 2]" 1
866 1 33 GLU QB 1 38 VAL H . . 5.040 4.401 4.131 4.655 . 0 0 "[ . 1 . 2]" 1
867 1 33 GLU QB 1 38 VAL HA . . 4.260 3.451 3.199 3.945 . 0 0 "[ . 1 . 2]" 1
868 1 35 ASP QB 1 36 GLY HA3 . . 4.290 4.185 4.145 4.275 . 0 0 "[ . 1 . 2]" 1
869 1 38 VAL H 1 38 VAL QG . . 3.680 2.945 2.919 2.982 . 0 0 "[ . 1 . 2]" 1
870 1 38 VAL QG 1 39 LEU H . . 3.630 2.366 2.159 2.589 . 0 0 "[ . 1 . 2]" 1
871 1 38 VAL QG 1 39 LEU QB . . 5.060 3.516 3.446 3.618 . 0 0 "[ . 1 . 2]" 1
872 1 38 VAL QG 1 42 THR HB . . 3.310 2.180 2.018 2.388 . 0 0 "[ . 1 . 2]" 1
873 1 38 VAL QG 1 43 VAL HA . . 4.700 3.815 3.693 3.959 . 0 0 "[ . 1 . 2]" 1
874 1 38 VAL QG 1 43 VAL MG2 . . 3.700 2.240 2.076 2.472 . 0 0 "[ . 1 . 2]" 1
875 1 38 VAL QG 1 73 LEU H . . 5.050 3.663 3.599 3.761 . 0 0 "[ . 1 . 2]" 1
876 1 38 VAL QG 1 73 LEU HB2 . . 3.260 3.030 2.952 3.103 . 0 0 "[ . 1 . 2]" 1
877 1 38 VAL QG 1 75 ALA MB . . 4.430 4.139 4.085 4.189 . 0 0 "[ . 1 . 2]" 1
878 1 38 VAL QG 1 80 TRP HE3 . . 4.760 4.643 4.599 4.738 . 0 0 "[ . 1 . 2]" 1
879 1 38 VAL QG 1 80 TRP HZ3 . . 5.440 4.393 4.356 4.499 . 0 0 "[ . 1 . 2]" 1
880 1 39 LEU H 1 39 LEU QB . . 3.550 2.107 2.029 2.379 . 0 0 "[ . 1 . 2]" 1
881 1 39 LEU H 1 39 LEU QD . . 4.230 3.233 2.520 3.720 . 0 0 "[ . 1 . 2]" 1
882 1 39 LEU HA 1 39 LEU QD . . 2.750 2.095 1.874 2.339 . 0 0 "[ . 1 . 2]" 1
883 1 39 LEU QB 1 39 LEU QD . . 2.780 1.952 1.879 2.051 . 0 0 "[ . 1 . 2]" 1
884 1 39 LEU QB 1 40 LEU H . . 3.830 3.373 3.058 3.557 . 0 0 "[ . 1 . 2]" 1
885 1 39 LEU QB 1 41 SER H . . 4.410 2.911 2.676 3.227 . 0 0 "[ . 1 . 2]" 1
886 1 39 LEU QB 1 41 SER QB . . 3.670 2.891 2.632 3.188 . 0 0 "[ . 1 . 2]" 1
887 1 39 LEU QB 1 42 THR H . . 3.640 2.653 2.508 2.859 . 0 0 "[ . 1 . 2]" 1
888 1 39 LEU QD 1 40 LEU H . . 3.350 2.600 1.916 3.326 . 0 0 "[ . 1 . 2]" 1
889 1 39 LEU QD 1 40 LEU QB . . 5.280 3.554 2.875 4.426 . 0 0 "[ . 1 . 2]" 1
890 1 39 LEU QD 1 72 ILE HG12 . . 3.530 2.661 2.089 3.541 0.011 4 0 "[ . 1 . 2]" 1
891 1 39 LEU QD 1 72 ILE HG13 . . 3.620 2.846 2.425 3.139 . 0 0 "[ . 1 . 2]" 1
892 1 40 LEU H 1 40 LEU QB . . 3.310 2.150 2.074 2.202 . 0 0 "[ . 1 . 2]" 1
893 1 40 LEU H 1 40 LEU QD . . 4.260 3.588 3.455 3.727 . 0 0 "[ . 1 . 2]" 1
894 1 40 LEU HA 1 40 LEU QD . . 2.990 2.079 1.900 2.497 . 0 0 "[ . 1 . 2]" 1
895 1 40 LEU HA 1 71 GLY QA . . 4.790 4.384 4.246 4.534 . 0 0 "[ . 1 . 2]" 1
896 1 40 LEU QB 1 40 LEU HG . . 2.410 2.276 2.163 2.352 . 0 0 "[ . 1 . 2]" 1
897 1 40 LEU QB 1 40 LEU QD . . 2.660 1.942 1.900 1.975 . 0 0 "[ . 1 . 2]" 1
898 1 40 LEU QB 1 41 SER H . . 4.310 2.565 2.446 2.688 . 0 0 "[ . 1 . 2]" 1
899 1 40 LEU QB 1 68 LEU MD2 . . 5.280 3.959 3.899 4.036 . 0 0 "[ . 1 . 2]" 1
900 1 40 LEU QB 1 71 GLY QA . . 5.040 2.452 2.331 2.603 . 0 0 "[ . 1 . 2]" 1
901 1 40 LEU QB 1 72 ILE HA . . 5.340 3.585 3.549 3.622 . 0 0 "[ . 1 . 2]" 1
902 1 40 LEU QB 1 72 ILE HG13 . . 3.760 3.862 3.836 3.891 0.131 13 0 "[ . 1 . 2]" 1
903 1 40 LEU QD 1 41 SER H . . 4.520 3.663 3.181 4.051 . 0 0 "[ . 1 . 2]" 1
904 1 40 LEU QD 1 41 SER HA . . 4.470 3.689 2.920 4.498 0.028 17 0 "[ . 1 . 2]" 1
905 1 40 LEU QD 1 42 THR H . . 4.940 4.651 4.316 4.969 0.029 4 0 "[ . 1 . 2]" 1
906 1 40 LEU QD 1 43 VAL H . . 4.310 3.838 3.566 4.110 . 0 0 "[ . 1 . 2]" 1
907 1 40 LEU QD 1 43 VAL HB . . 3.180 2.426 2.221 2.564 . 0 0 "[ . 1 . 2]" 1
908 1 40 LEU QD 1 44 THR H . . 3.880 3.425 2.884 3.886 0.006 20 0 "[ . 1 . 2]" 1
909 1 40 LEU QD 1 44 THR HB . . 5.100 4.571 4.030 5.118 0.018 17 0 "[ . 1 . 2]" 1
910 1 41 SER H 1 41 SER QB . . 3.640 2.273 2.055 2.805 . 0 0 "[ . 1 . 2]" 1
911 1 45 ALA MB 1 46 GLN QG . . 4.850 2.492 2.249 3.709 . 0 0 "[ . 1 . 2]" 1
912 1 46 GLN H 1 46 GLN QG . . 4.490 2.375 2.069 3.560 . 0 0 "[ . 1 . 2]" 1
913 1 46 GLN HA 1 46 GLN QG . . 3.610 2.676 2.202 2.771 . 0 0 "[ . 1 . 2]" 1
914 1 46 GLN HB2 1 46 GLN QE . . 4.390 2.239 1.915 3.192 . 0 0 "[ . 1 . 2]" 1
915 1 46 GLN QG 1 47 PHE QE . . 4.570 4.372 4.160 4.505 . 0 0 "[ . 1 . 2]" 1
916 1 47 PHE HB2 1 87 VAL QG . . 4.600 4.175 4.050 4.426 . 0 0 "[ . 1 . 2]" 1
917 1 47 PHE HB3 1 53 LEU QD . . 4.200 3.647 3.497 3.846 . 0 0 "[ . 1 . 2]" 1
918 1 47 PHE HB3 1 87 VAL QG . . 3.770 3.104 2.952 3.437 . 0 0 "[ . 1 . 2]" 1
919 1 47 PHE QD 1 87 VAL QG . . 4.490 4.056 3.925 4.251 . 0 0 "[ . 1 . 2]" 1
920 1 50 ALA MB 1 53 LEU QD . . 3.760 2.181 2.036 2.307 . 0 0 "[ . 1 . 2]" 1
921 1 50 ALA MB 1 87 VAL QG . . 3.130 2.312 1.869 2.507 . 0 0 "[ . 1 . 2]" 1
922 1 51 CYS H 1 53 LEU QD . . 4.470 4.291 4.043 4.475 0.005 3 0 "[ . 1 . 2]" 1
923 1 52 GLY H 1 53 LEU QD . . 4.410 3.250 3.199 3.421 . 0 0 "[ . 1 . 2]" 1
924 1 52 GLY H 1 88 ASN QB . . 4.510 3.042 2.752 3.601 . 0 0 "[ . 1 . 2]" 1
925 1 52 GLY HA2 1 53 LEU QD . . 3.820 2.430 2.400 2.455 . 0 0 "[ . 1 . 2]" 1
926 1 52 GLY HA2 1 68 LEU QB . . 3.540 3.608 3.524 3.640 0.100 19 0 "[ . 1 . 2]" 1
927 1 52 GLY HA3 1 88 ASN QD . . 3.600 3.277 2.667 3.607 0.007 9 0 "[ . 1 . 2]" 1
928 1 53 LEU HA 1 53 LEU QD . . 2.900 1.943 1.915 1.950 . 0 0 "[ . 1 . 2]" 1
929 1 53 LEU QD 1 54 ARG H . . 5.190 3.616 3.572 3.645 . 0 0 "[ . 1 . 2]" 1
930 1 53 LEU QD 1 66 VAL HB . . 4.570 3.101 2.818 3.305 . 0 0 "[ . 1 . 2]" 1
931 1 53 LEU QD 1 66 VAL MG1 . . 3.670 2.528 2.421 2.704 . 0 0 "[ . 1 . 2]" 1
932 1 53 LEU QD 1 66 VAL MG2 . . 4.050 3.538 3.422 3.683 . 0 0 "[ . 1 . 2]" 1
933 1 53 LEU QD 1 73 LEU HB3 . . 4.090 3.382 3.346 3.413 . 0 0 "[ . 1 . 2]" 1
934 1 53 LEU QD 1 73 LEU HG . . 3.630 1.893 1.865 1.916 . 0 0 "[ . 1 . 2]" 1
935 1 53 LEU QD 1 80 TRP HZ3 . . 5.440 4.522 4.422 4.616 . 0 0 "[ . 1 . 2]" 1
936 1 53 LEU QD 1 80 TRP HH2 . . 4.800 4.628 4.492 4.679 . 0 0 "[ . 1 . 2]" 1
937 1 53 LEU QD 1 85 TYR HB2 . . 5.050 4.398 4.379 4.419 . 0 0 "[ . 1 . 2]" 1
938 1 53 LEU QD 1 85 TYR QE . . 3.710 1.904 1.885 1.918 . 0 0 "[ . 1 . 2]" 1
939 1 53 LEU QD 1 87 VAL HA . . 2.900 2.581 2.451 2.775 . 0 0 "[ . 1 . 2]" 1
940 1 53 LEU QD 1 87 VAL QG . . 3.130 2.790 2.713 2.902 . 0 0 "[ . 1 . 2]" 1
941 1 53 LEU QD 1 88 ASN H . . 3.710 3.397 3.271 3.524 . 0 0 "[ . 1 . 2]" 1
942 1 54 ARG HA 1 54 ARG QD . . 4.710 3.625 2.929 3.916 . 0 0 "[ . 1 . 2]" 1
943 1 54 ARG HB2 1 54 ARG QD . . 3.300 2.606 1.984 2.996 . 0 0 "[ . 1 . 2]" 1
944 1 54 ARG HB3 1 54 ARG QG . . 2.560 2.355 2.133 2.524 . 0 0 "[ . 1 . 2]" 1
945 1 54 ARG QG 1 55 TYR H . . 3.720 2.222 2.060 2.469 . 0 0 "[ . 1 . 2]" 1
946 1 54 ARG QG 1 65 GLY QA . . 4.060 2.945 2.735 3.023 . 0 0 "[ . 1 . 2]" 1
947 1 54 ARG QD 1 65 GLY QA . . 4.510 4.274 3.700 4.517 0.007 1 0 "[ . 1 . 2]" 1
948 1 54 ARG QD 1 86 VAL HB . . 4.040 3.090 2.715 3.698 . 0 0 "[ . 1 . 2]" 1
949 1 54 ARG QD 1 86 VAL MG1 . . 3.720 3.698 3.531 3.735 0.015 9 0 "[ . 1 . 2]" 1
950 1 54 ARG QD 1 86 VAL MG2 . . 4.590 3.564 2.667 4.611 0.021 1 0 "[ . 1 . 2]" 1
951 1 55 TYR HA 1 56 ARG QB . . 4.470 4.023 4.013 4.040 . 0 0 "[ . 1 . 2]" 1
952 1 55 TYR HB2 1 64 ARG QD . . 5.110 3.651 3.000 4.154 . 0 0 "[ . 1 . 2]" 1
953 1 55 TYR HB3 1 83 LEU QD . . 4.640 4.644 3.483 4.715 0.075 12 0 "[ . 1 . 2]" 1
954 1 55 TYR QD 1 64 ARG QD . . 3.450 2.643 2.191 3.045 . 0 0 "[ . 1 . 2]" 1
955 1 55 TYR QD 1 83 LEU QD . . 3.240 2.658 1.729 2.744 . 0 0 "[ . 1 . 2]" 1
956 1 55 TYR QE 1 64 ARG QD . . 3.720 3.022 2.829 3.292 . 0 0 "[ . 1 . 2]" 1
957 1 55 TYR QE 1 83 LEU QD . . 3.700 1.795 1.780 1.811 . 0 0 "[ . 1 . 2]" 1
958 1 56 ARG H 1 83 LEU QB . . 5.130 3.716 3.619 4.392 . 0 0 "[ . 1 . 2]" 1
959 1 56 ARG HA 1 56 ARG QG . . 3.540 2.930 2.275 3.219 . 0 0 "[ . 1 . 2]" 1
960 1 56 ARG QB 1 56 ARG QD . . 3.490 2.314 2.065 2.424 . 0 0 "[ . 1 . 2]" 1
961 1 56 ARG HE 1 56 ARG QG . . 3.480 2.456 2.266 2.899 . 0 0 "[ . 1 . 2]" 1
962 1 56 ARG QG 1 57 ASN HA . . 4.560 4.091 3.801 4.632 0.072 2 0 "[ . 1 . 2]" 1
963 1 57 ASN H 1 60 SER QB . . 4.060 3.711 2.779 4.120 0.060 17 0 "[ . 1 . 2]" 1
964 1 57 ASN HA 1 83 LEU QB . . 4.390 2.763 2.612 2.921 . 0 0 "[ . 1 . 2]" 1
965 1 57 ASN HB2 1 57 ASN QD . . 3.460 3.005 2.469 3.277 . 0 0 "[ . 1 . 2]" 1
966 1 57 ASN HB2 1 60 SER QB . . 4.090 2.222 1.891 2.958 . 0 0 "[ . 1 . 2]" 1
967 1 57 ASN HB3 1 60 SER QB . . 3.310 2.006 1.906 2.158 . 0 0 "[ . 1 . 2]" 1
968 1 57 ASN QD 1 58 PRO HD2 . . 4.200 3.355 2.283 4.294 0.094 12 0 "[ . 1 . 2]" 1
969 1 57 ASN QD 1 60 SER H . . 3.810 3.404 2.692 3.834 0.024 4 0 "[ . 1 . 2]" 1
970 1 60 SER QB 1 61 GLN QG . . 4.990 4.601 4.442 4.730 . 0 0 "[ . 1 . 2]" 1
971 1 61 GLN HA 1 62 CYS QB . . 5.320 4.296 3.713 4.781 . 0 0 "[ . 1 . 2]" 1
972 1 62 CYS H 1 62 CYS QB . . 3.600 2.656 2.173 3.428 . 0 0 "[ . 1 . 2]" 1
973 1 62 CYS QB 1 63 MET H . . 4.390 2.917 2.200 3.827 . 0 0 "[ . 1 . 2]" 1
974 1 64 ARG HA 1 64 ARG QD . . 4.270 3.609 2.637 4.221 . 0 0 "[ . 1 . 2]" 1
975 1 64 ARG QB 1 64 ARG QD . . 3.270 2.035 1.938 2.207 . 0 0 "[ . 1 . 2]" 1
976 1 64 ARG QD 1 65 GLY QA . . 4.220 4.009 3.568 4.286 0.066 17 0 "[ . 1 . 2]" 1
977 1 64 ARG QD 1 76 PRO HA . . 5.340 4.303 3.943 4.930 . 0 0 "[ . 1 . 2]" 1
978 1 64 ARG QD 1 76 PRO QB . . 3.770 2.361 1.958 2.996 . 0 0 "[ . 1 . 2]" 1
979 1 64 ARG QD 1 76 PRO HG2 . . 4.670 4.333 3.992 4.670 0.000 13 0 "[ . 1 . 2]" 1
980 1 64 ARG QD 1 76 PRO HG3 . . 3.830 3.007 2.784 3.397 . 0 0 "[ . 1 . 2]" 1
981 1 67 ARG H 1 67 ARG QB . . 3.500 2.239 2.219 2.260 . 0 0 "[ . 1 . 2]" 1
982 1 67 ARG HA 1 68 LEU QB . . 5.340 3.977 3.966 4.090 . 0 0 "[ . 1 . 2]" 1
983 1 67 ARG QB 1 67 ARG HE . . 4.830 4.084 3.939 4.329 . 0 0 "[ . 1 . 2]" 1
984 1 67 ARG QB 1 74 HIS HB3 . . 3.600 2.219 2.027 2.547 . 0 0 "[ . 1 . 2]" 1
985 1 67 ARG QG 1 69 VAL QG . . 3.860 2.917 2.757 3.169 . 0 0 "[ . 1 . 2]" 1
986 1 67 ARG QD 1 68 LEU H . . 4.120 2.315 1.941 2.918 . 0 0 "[ . 1 . 2]" 1
987 1 67 ARG HE 1 69 VAL QG . . 5.040 3.473 3.261 3.729 . 0 0 "[ . 1 . 2]" 1
988 1 68 LEU H 1 68 LEU QB . . 3.660 2.486 2.287 2.517 . 0 0 "[ . 1 . 2]" 1
989 1 68 LEU HA 1 69 VAL QG . . 4.410 3.597 3.490 3.624 . 0 0 "[ . 1 . 2]" 1
990 1 68 LEU QB 1 68 LEU HG . . 2.640 2.154 2.152 2.158 . 0 0 "[ . 1 . 2]" 1
991 1 68 LEU QB 1 68 LEU MD1 . . 2.800 2.022 2.006 2.049 . 0 0 "[ . 1 . 2]" 1
992 1 68 LEU QB 1 73 LEU MD1 . . 3.920 1.966 1.905 2.086 . 0 0 "[ . 1 . 2]" 1
993 1 68 LEU MD2 1 71 GLY QA . . 3.030 2.127 2.020 2.347 . 0 0 "[ . 1 . 2]" 1
994 1 69 VAL HA 1 69 VAL QG . . 2.890 2.304 2.260 2.338 . 0 0 "[ . 1 . 2]" 1
995 1 69 VAL QG 1 70 GLU H . . 3.750 2.624 2.447 2.719 . 0 0 "[ . 1 . 2]" 1
996 1 69 VAL QG 1 70 GLU QG . . 2.800 1.883 1.844 1.968 . 0 0 "[ . 1 . 2]" 1
997 1 69 VAL QG 1 72 ILE HB . . 2.960 2.907 2.747 2.987 0.027 17 0 "[ . 1 . 2]" 1
998 1 69 VAL QG 1 72 ILE MG . . 4.130 3.449 3.318 3.582 . 0 0 "[ . 1 . 2]" 1
999 1 69 VAL QG 1 73 LEU HA . . 4.870 4.294 4.169 4.410 . 0 0 "[ . 1 . 2]" 1
1000 1 69 VAL QG 1 74 HIS HB2 . . 4.290 2.677 2.592 2.712 . 0 0 "[ . 1 . 2]" 1
1001 1 69 VAL QG 1 74 HIS HB3 . . 3.980 4.027 3.905 4.051 0.071 19 0 "[ . 1 . 2]" 1
1002 1 70 GLU H 1 71 GLY QA . . 5.020 4.549 4.513 4.612 . 0 0 "[ . 1 . 2]" 1
1003 1 70 GLU HA 1 71 GLY QA . . 4.780 4.050 4.045 4.055 . 0 0 "[ . 1 . 2]" 1
1004 1 70 GLU QB 1 72 ILE H . . 4.770 3.037 3.018 3.061 . 0 0 "[ . 1 . 2]" 1
1005 1 70 GLU QB 1 72 ILE MD . . 4.170 2.170 2.038 2.324 . 0 0 "[ . 1 . 2]" 1
1006 1 71 GLY QA 1 72 ILE MD . . 4.380 4.083 3.831 4.194 . 0 0 "[ . 1 . 2]" 1
1007 1 77 ASP QB 1 78 ALA H . . 4.210 3.391 3.347 3.835 . 0 0 "[ . 1 . 2]" 1
1008 1 82 ASN HA 1 83 LEU QD . . 4.190 3.459 3.423 3.824 . 0 0 "[ . 1 . 2]" 1
1009 1 83 LEU HA 1 83 LEU QD . . 3.730 3.032 3.013 3.313 . 0 0 "[ . 1 . 2]" 1
1010 1 83 LEU HA 1 84 VAL QG . . 3.850 3.386 3.346 3.418 . 0 0 "[ . 1 . 2]" 1
1011 1 83 LEU QB 1 84 VAL H . . 3.620 1.922 1.894 2.117 . 0 0 "[ . 1 . 2]" 1
1012 1 83 LEU QB 1 84 VAL HB . . 5.340 4.279 4.243 4.519 . 0 0 "[ . 1 . 2]" 1
1013 1 83 LEU QD 1 84 VAL H . . 3.210 2.986 2.960 3.085 . 0 0 "[ . 1 . 2]" 1
1014 1 83 LEU QD 1 84 VAL HA . . 3.940 3.512 3.453 4.071 0.131 2 0 "[ . 1 . 2]" 1
1015 1 83 LEU QD 1 85 TYR HA . . 4.670 4.004 3.966 4.141 . 0 0 "[ . 1 . 2]" 1
1016 1 83 LEU QD 1 85 TYR HB3 . . 4.100 3.652 3.576 4.066 . 0 0 "[ . 1 . 2]" 1
1017 1 84 VAL QG 1 85 TYR H . . 3.650 1.877 1.860 1.975 . 0 0 "[ . 1 . 2]" 1
1018 1 84 VAL QG 1 85 TYR HA . . 4.770 3.757 3.686 3.794 . 0 0 "[ . 1 . 2]" 1
1019 1 84 VAL QG 1 85 TYR HB3 . . 5.210 4.176 4.158 4.213 . 0 0 "[ . 1 . 2]" 1
1020 1 85 TYR QD 1 87 VAL QG . . 3.660 3.621 3.571 3.677 0.017 11 0 "[ . 1 . 2]" 1
1021 1 85 TYR QE 1 87 VAL QG . . 3.340 2.042 1.952 2.228 . 0 0 "[ . 1 . 2]" 1
1022 1 86 VAL HA 1 87 VAL QG . . 4.280 3.383 3.313 3.494 . 0 0 "[ . 1 . 2]" 1
1023 1 86 VAL MG1 1 87 VAL QG . . 3.880 3.166 2.820 3.686 . 0 0 "[ . 1 . 2]" 1
1024 1 86 VAL MG2 1 87 VAL QG . . 4.660 4.545 4.432 4.751 0.091 8 0 "[ . 1 . 2]" 1
1025 1 87 VAL H 1 87 VAL QG . . 2.830 1.944 1.830 2.075 . 0 0 "[ . 1 . 2]" 1
1026 1 87 VAL HA 1 87 VAL QG . . 2.780 2.193 2.034 2.265 . 0 0 "[ . 1 . 2]" 1
1027 1 87 VAL HA 1 88 ASN QB . . 4.560 4.005 3.848 4.554 . 0 0 "[ . 1 . 2]" 1
1028 1 87 VAL QG 1 88 ASN H . . 3.700 2.865 1.959 3.394 . 0 0 "[ . 1 . 2]" 1
1029 1 88 ASN H 1 88 ASN QB . . 3.520 2.741 2.678 2.984 . 0 0 "[ . 1 . 2]" 1
1030 1 89 TYR H 1 89 TYR QB . . 3.690 2.914 2.402 3.442 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 428
_Distance_constraint_stats_list.Viol_count 438
_Distance_constraint_stats_list.Viol_total 577.647
_Distance_constraint_stats_list.Viol_max 0.390
_Distance_constraint_stats_list.Viol_rms 0.0202
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0034
_Distance_constraint_stats_list.Viol_average_violations_only 0.0659
_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 11 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLU 0.349 0.047 1 0 "[ . 1 . 2]"
1 16 TYR 2.800 0.152 1 0 "[ . 1 . 2]"
1 17 ILE 3.708 0.152 1 0 "[ . 1 . 2]"
1 18 ARG 0.345 0.151 7 0 "[ . 1 . 2]"
1 19 VAL 2.576 0.390 20 0 "[ . 1 . 2]"
1 20 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLU 1.508 0.077 6 0 "[ . 1 . 2]"
1 22 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ILE 0.247 0.116 19 0 "[ . 1 . 2]"
1 29 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ILE 1.297 0.130 19 0 "[ . 1 . 2]"
1 31 PRO 0.637 0.065 1 0 "[ . 1 . 2]"
1 32 SER 0.688 0.048 16 0 "[ . 1 . 2]"
1 33 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LEU 0.106 0.045 4 0 "[ . 1 . 2]"
1 40 LEU 1.147 0.087 12 0 "[ . 1 . 2]"
1 41 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 THR 1.252 0.087 12 0 "[ . 1 . 2]"
1 43 VAL 1.286 0.103 20 0 "[ . 1 . 2]"
1 44 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLN 2.576 0.390 20 0 "[ . 1 . 2]"
1 47 PHE 1.434 0.116 19 0 "[ . 1 . 2]"
1 48 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLY 0.013 0.009 1 0 "[ . 1 . 2]"
1 50 ALA 0.367 0.055 17 0 "[ . 1 . 2]"
1 51 CYS 0.241 0.053 15 0 "[ . 1 . 2]"
1 52 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ARG 4.454 0.248 16 0 "[ . 1 . 2]"
1 55 TYR 6.014 0.238 2 0 "[ . 1 . 2]"
1 56 ARG 2.361 0.120 13 0 "[ . 1 . 2]"
1 57 ASN 1.248 0.152 16 0 "[ . 1 . 2]"
1 58 PRO 3.134 0.238 2 0 "[ . 1 . 2]"
1 59 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ARG 0.139 0.020 17 0 "[ . 1 . 2]"
1 65 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 LEU 3.069 0.184 18 0 "[ . 1 . 2]"
1 69 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 LEU 0.044 0.039 17 0 "[ . 1 . 2]"
1 74 HIS 3.113 0.184 18 0 "[ . 1 . 2]"
1 75 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 VAL 2.778 0.171 2 0 "[ . 1 . 2]"
1 85 TYR 7.246 0.248 16 0 "[ . 1 . 2]"
1 86 VAL 0.515 0.077 6 0 "[ . 1 . 2]"
1 87 VAL 0.575 0.056 9 0 "[ . 1 . 2]"
1 88 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 TYR 0.241 0.053 15 0 "[ . 1 . 2]"
1 92 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 VAL 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 56 ARG QD 1 84 VAL H . . 5.500 4.380 2.935 5.011 . 0 0 "[ . 1 . 2]" 2
2 1 21 GLU HB3 1 87 VAL MG1 . . 7.000 4.806 4.114 6.414 . 0 0 "[ . 1 . 2]" 2
3 1 21 GLU HB3 1 87 VAL MG2 . . 7.000 4.702 4.148 5.045 . 0 0 "[ . 1 . 2]" 2
4 1 28 ILE H 1 47 PHE HZ . . 5.500 4.619 4.433 4.757 . 0 0 "[ . 1 . 2]" 2
5 1 55 TYR QE 1 57 ASN HB2 . . 6.350 5.653 4.894 6.160 . 0 0 "[ . 1 . 2]" 2
6 1 55 TYR QD 1 84 VAL HB . . 6.530 6.524 6.442 6.701 0.171 2 0 "[ . 1 . 2]" 2
7 1 56 ARG HE 1 84 VAL HB . . 5.500 4.270 4.200 4.405 . 0 0 "[ . 1 . 2]" 2
8 1 55 TYR QE 1 64 ARG QB . . 5.730 4.411 3.767 5.433 . 0 0 "[ . 1 . 2]" 2
9 1 15 GLU H 1 16 TYR H . . 6.030 4.376 4.342 4.428 . 0 0 "[ . 1 . 2]" 2
10 1 37 THR H 1 38 VAL H . . 6.910 4.492 4.486 4.505 . 0 0 "[ . 1 . 2]" 2
11 1 79 GLY H 1 80 TRP H . . 6.780 4.459 4.437 4.490 . 0 0 "[ . 1 . 2]" 2
12 1 62 CYS HB3 1 63 MET H . . 5.940 3.038 2.220 4.122 . 0 0 "[ . 1 . 2]" 2
13 1 14 SER QB 1 15 GLU H . . 5.850 2.942 2.013 3.963 . 0 0 "[ . 1 . 2]" 2
14 1 16 TYR QD 1 18 ARG HE . . 5.500 4.540 3.871 5.556 0.056 3 0 "[ . 1 . 2]" 2
15 1 33 GLU QB 1 35 ASP H . . 5.630 2.533 2.385 2.875 . 0 0 "[ . 1 . 2]" 2
16 1 15 GLU QG 1 16 TYR QD . . 6.250 4.195 3.820 5.677 . 0 0 "[ . 1 . 2]" 2
17 1 21 GLU HA 1 87 VAL MG2 . . 6.300 4.084 3.194 4.598 . 0 0 "[ . 1 . 2]" 2
18 1 11 GLY H 1 12 SER H . . 5.720 3.546 1.944 4.625 . 0 0 "[ . 1 . 2]" 2
19 1 38 VAL H 1 39 LEU H . . 6.440 4.288 4.225 4.370 . 0 0 "[ . 1 . 2]" 2
20 1 56 ARG QB 1 84 VAL H . . 6.010 3.375 3.083 3.545 . 0 0 "[ . 1 . 2]" 2
21 1 61 GLN QB 1 62 CYS H . . 5.500 3.843 3.817 3.894 . 0 0 "[ . 1 . 2]" 2
22 1 21 GLU HB2 1 87 VAL MG1 . . 7.000 4.218 3.515 5.807 . 0 0 "[ . 1 . 2]" 2
23 1 21 GLU HB2 1 87 VAL MG2 . . 7.000 4.649 3.738 5.098 . 0 0 "[ . 1 . 2]" 2
24 1 33 GLU QG 1 35 ASP H . . 6.330 4.107 2.345 4.833 . 0 0 "[ . 1 . 2]" 2
25 1 59 VAL HB 1 60 SER H . . 6.720 3.897 3.826 3.958 . 0 0 "[ . 1 . 2]" 2
26 1 41 SER HA 1 43 VAL HB . . 5.500 5.322 5.191 5.464 . 0 0 "[ . 1 . 2]" 2
27 1 19 VAL MG2 1 85 TYR H . . 5.620 5.007 4.969 5.082 . 0 0 "[ . 1 . 2]" 2
28 1 56 ARG H 1 84 VAL HB . . 6.360 4.405 4.329 4.622 . 0 0 "[ . 1 . 2]" 2
29 1 19 VAL HA 1 83 LEU MD1 . . 6.870 5.239 5.129 6.056 . 0 0 "[ . 1 . 2]" 2
30 1 39 LEU MD1 1 42 THR H . . 7.000 4.458 3.645 5.263 . 0 0 "[ . 1 . 2]" 2
31 1 19 VAL H 1 28 ILE HB . . 6.500 5.646 5.373 5.721 . 0 0 "[ . 1 . 2]" 2
32 1 77 ASP H 1 79 GLY H . . 7.000 4.112 4.070 4.210 . 0 0 "[ . 1 . 2]" 2
33 1 40 LEU H 1 42 THR HB . . 5.500 5.557 5.515 5.587 0.087 12 0 "[ . 1 . 2]" 2
34 1 93 ASN HB2 1 94 LYS H . . 6.070 3.910 2.701 4.647 . 0 0 "[ . 1 . 2]" 2
35 1 93 ASN HB3 1 94 LYS H . . 6.070 3.241 2.076 4.425 . 0 0 "[ . 1 . 2]" 2
36 1 64 ARG QB 1 65 GLY H . . 5.500 2.219 1.936 2.597 . 0 0 "[ . 1 . 2]" 2
37 1 38 VAL HB 1 39 LEU H . . 5.620 4.186 4.055 4.267 . 0 0 "[ . 1 . 2]" 2
38 1 39 LEU MD2 1 42 THR H . . 7.000 4.540 3.571 5.345 . 0 0 "[ . 1 . 2]" 2
39 1 20 THR MG 1 22 ASP H . . 5.940 4.212 4.039 4.332 . 0 0 "[ . 1 . 2]" 2
40 1 17 ILE HA 1 18 ARG HA . . 5.500 4.392 4.391 4.396 . 0 0 "[ . 1 . 2]" 2
41 1 49 GLY HA2 1 89 TYR QD . . 5.840 4.798 4.477 5.025 . 0 0 "[ . 1 . 2]" 2
42 1 49 GLY HA2 1 89 TYR QE . . 5.500 4.666 3.989 5.380 . 0 0 "[ . 1 . 2]" 2
43 1 17 ILE MD 1 80 TRP HH2 . . 5.500 3.336 3.268 3.398 . 0 0 "[ . 1 . 2]" 2
44 1 55 TYR QD 1 64 ARG QG . . 5.500 3.808 3.072 4.263 . 0 0 "[ . 1 . 2]" 2
45 1 21 GLU HA 1 87 VAL MG1 . . 6.300 3.986 3.159 5.733 . 0 0 "[ . 1 . 2]" 2
46 1 55 TYR QE 1 56 ARG QB . . 6.290 6.361 6.292 6.410 0.120 13 0 "[ . 1 . 2]" 2
47 1 44 THR HA 1 47 PHE H . . 5.500 3.369 3.294 3.401 . 0 0 "[ . 1 . 2]" 2
48 1 55 TYR QD 1 66 VAL HA . . 7.000 3.270 3.188 3.360 . 0 0 "[ . 1 . 2]" 2
49 1 19 VAL HA 1 20 THR MG . . 6.040 3.408 3.202 3.514 . 0 0 "[ . 1 . 2]" 2
50 1 19 VAL HA 1 83 LEU MD2 . . 6.870 3.364 3.285 3.673 . 0 0 "[ . 1 . 2]" 2
51 1 18 ARG HB3 1 18 ARG HE . . 5.650 3.400 2.267 3.898 . 0 0 "[ . 1 . 2]" 2
52 1 16 TYR H 1 16 TYR QD . . 5.500 3.101 3.059 3.129 . 0 0 "[ . 1 . 2]" 2
53 1 16 TYR H 1 17 ILE H . . 6.080 4.405 4.394 4.440 . 0 0 "[ . 1 . 2]" 2
54 1 17 ILE MD 1 32 SER HA . . 6.570 5.744 5.662 5.799 . 0 0 "[ . 1 . 2]" 2
55 1 84 VAL MG1 1 85 TYR H . . 6.530 1.880 1.863 1.980 . 0 0 "[ . 1 . 2]" 2
56 1 17 ILE HG13 1 30 ILE H . . 5.620 5.642 5.518 5.709 0.089 20 0 "[ . 1 . 2]" 2
57 1 47 PHE QE 1 87 VAL MG1 . . 7.000 5.463 4.965 6.510 . 0 0 "[ . 1 . 2]" 2
58 1 47 PHE QE 1 87 VAL MG2 . . 7.000 6.506 5.245 7.056 0.056 9 0 "[ . 1 . 2]" 2
59 1 17 ILE MD 1 18 ARG H . . 5.500 4.382 4.268 4.456 . 0 0 "[ . 1 . 2]" 2
60 1 18 ARG H 1 18 ARG HE . . 5.500 5.444 5.236 5.651 0.151 7 0 "[ . 1 . 2]" 2
61 1 18 ARG HG2 1 19 VAL H . . 6.060 3.983 3.860 4.321 . 0 0 "[ . 1 . 2]" 2
62 1 19 VAL HA 1 85 TYR H . . 5.500 4.648 4.497 4.782 . 0 0 "[ . 1 . 2]" 2
63 1 19 VAL HB 1 20 THR H . . 5.500 2.607 2.253 2.790 . 0 0 "[ . 1 . 2]" 2
64 1 19 VAL MG1 1 85 TYR H . . 5.620 4.303 4.138 4.433 . 0 0 "[ . 1 . 2]" 2
65 1 39 LEU MD2 1 40 LEU H . . 6.080 3.411 1.918 4.523 . 0 0 "[ . 1 . 2]" 2
66 1 37 THR MG 1 72 ILE MG . . 6.630 2.557 2.516 2.645 . 0 0 "[ . 1 . 2]" 2
67 1 40 LEU MD2 1 41 SER H . . 6.350 4.271 3.754 4.576 . 0 0 "[ . 1 . 2]" 2
68 1 20 THR MG 1 21 GLU H . . 6.570 4.032 3.950 4.236 . 0 0 "[ . 1 . 2]" 2
69 1 21 GLU H 1 21 GLU HG2 . . 5.500 4.384 4.317 4.405 . 0 0 "[ . 1 . 2]" 2
70 1 25 ASP H 1 26 GLU H . . 5.500 4.612 4.559 4.630 . 0 0 "[ . 1 . 2]" 2
71 1 25 ASP HB2 1 26 GLU H . . 5.500 4.046 3.876 4.356 . 0 0 "[ . 1 . 2]" 2
72 1 25 ASP HB3 1 26 GLU H . . 5.500 3.157 2.610 3.928 . 0 0 "[ . 1 . 2]" 2
73 1 39 LEU HA 1 40 LEU HA . . 5.830 4.332 4.322 4.342 . 0 0 "[ . 1 . 2]" 2
74 1 50 ALA HA 1 89 TYR HA . . 6.350 4.962 3.992 5.828 . 0 0 "[ . 1 . 2]" 2
75 1 64 ARG HA 1 65 GLY QA . . 6.350 3.974 3.952 3.984 . 0 0 "[ . 1 . 2]" 2
76 1 28 ILE HG12 1 47 PHE QE . . 5.840 4.800 4.668 5.956 0.116 19 0 "[ . 1 . 2]" 2
77 1 28 ILE H 1 28 ILE MD . . 5.610 4.136 4.065 4.166 . 0 0 "[ . 1 . 2]" 2
78 1 29 GLU H 1 30 ILE H . . 6.190 4.447 4.288 4.495 . 0 0 "[ . 1 . 2]" 2
79 1 33 GLU H 1 36 GLY H . . 5.990 4.159 3.932 4.471 . 0 0 "[ . 1 . 2]" 2
80 1 105 ALA MB 1 106 VAL H . . 5.920 2.981 2.034 3.713 . 0 0 "[ . 1 . 2]" 2
81 1 33 GLU QB 1 36 GLY H . . 6.040 2.937 2.802 3.086 . 0 0 "[ . 1 . 2]" 2
82 1 17 ILE MD 1 19 VAL HB . . 6.220 4.408 4.345 4.503 . 0 0 "[ . 1 . 2]" 2
83 1 84 VAL MG2 1 85 TYR H . . 6.530 3.955 3.942 3.979 . 0 0 "[ . 1 . 2]" 2
84 1 56 ARG H 1 84 VAL MG2 . . 6.520 5.260 5.175 5.469 . 0 0 "[ . 1 . 2]" 2
85 1 16 TYR QD 1 31 PRO HA . . 5.500 4.653 4.603 4.752 . 0 0 "[ . 1 . 2]" 2
86 1 17 ILE H 1 31 PRO HA . . 5.500 4.274 4.099 4.421 . 0 0 "[ . 1 . 2]" 2
87 1 83 LEU HG 1 84 VAL H . . 6.360 3.927 2.278 4.029 . 0 0 "[ . 1 . 2]" 2
88 1 30 ILE HB 1 31 PRO HD2 . . 5.680 2.535 2.188 2.876 . 0 0 "[ . 1 . 2]" 2
89 1 30 ILE HB 1 31 PRO HD3 . . 5.680 3.869 3.598 4.130 . 0 0 "[ . 1 . 2]" 2
90 1 30 ILE MD 1 31 PRO HD3 . . 5.810 5.451 5.277 5.595 . 0 0 "[ . 1 . 2]" 2
91 1 86 VAL MG1 1 87 VAL HA . . 6.360 4.177 3.995 4.312 . 0 0 "[ . 1 . 2]" 2
92 1 16 TYR QD 1 32 SER H . . 6.110 4.914 4.636 5.143 . 0 0 "[ . 1 . 2]" 2
93 1 55 TYR QE 1 84 VAL H . . 6.400 5.962 5.918 6.216 . 0 0 "[ . 1 . 2]" 2
94 1 17 ILE H 1 32 SER H . . 5.890 3.982 3.624 4.371 . 0 0 "[ . 1 . 2]" 2
95 1 84 VAL H 1 85 TYR H . . 6.340 4.572 4.564 4.577 . 0 0 "[ . 1 . 2]" 2
96 1 33 GLU H 1 34 ASP H . . 5.500 4.585 4.526 4.643 . 0 0 "[ . 1 . 2]" 2
97 1 33 GLU QB 1 34 ASP H . . 5.500 2.551 2.100 3.178 . 0 0 "[ . 1 . 2]" 2
98 1 34 ASP H 1 36 GLY H . . 5.500 3.965 3.905 4.021 . 0 0 "[ . 1 . 2]" 2
99 1 33 GLU HA 1 34 ASP QB . . 5.500 4.406 4.177 4.793 . 0 0 "[ . 1 . 2]" 2
100 1 22 ASP H 1 23 GLU H . . 6.060 4.532 4.490 4.565 . 0 0 "[ . 1 . 2]" 2
101 1 33 GLU H 1 37 THR H . . 6.370 4.547 4.323 4.797 . 0 0 "[ . 1 . 2]" 2
102 1 39 LEU HA 1 40 LEU MD1 . . 7.000 5.741 5.321 5.969 . 0 0 "[ . 1 . 2]" 2
103 1 39 LEU HA 1 40 LEU MD2 . . 7.000 5.748 5.226 6.014 . 0 0 "[ . 1 . 2]" 2
104 1 39 LEU MD1 1 40 LEU H . . 6.080 3.510 2.082 5.024 . 0 0 "[ . 1 . 2]" 2
105 1 40 LEU MD1 1 41 SER H . . 6.350 4.198 3.259 4.692 . 0 0 "[ . 1 . 2]" 2
106 1 39 LEU H 1 42 THR H . . 5.500 4.413 4.360 4.455 . 0 0 "[ . 1 . 2]" 2
107 1 39 LEU HG 1 42 THR H . . 5.500 5.057 4.204 5.545 0.045 4 0 "[ . 1 . 2]" 2
108 1 44 THR HB 1 45 ALA H . . 6.030 3.996 3.914 4.089 . 0 0 "[ . 1 . 2]" 2
109 1 40 LEU MD1 1 43 VAL H . . 6.790 4.814 3.964 6.158 . 0 0 "[ . 1 . 2]" 2
110 1 30 ILE MD 1 31 PRO HD2 . . 5.810 4.283 4.049 4.494 . 0 0 "[ . 1 . 2]" 2
111 1 43 VAL HA 1 46 GLN H . . 5.500 4.058 4.004 4.105 . 0 0 "[ . 1 . 2]" 2
112 1 37 THR MG 1 74 HIS HD2 . . 6.190 2.938 2.923 2.951 . 0 0 "[ . 1 . 2]" 2
113 1 43 VAL MG2 1 44 THR H . . 5.500 4.090 3.958 4.130 . 0 0 "[ . 1 . 2]" 2
114 1 41 SER H 1 44 THR H . . 5.500 4.990 4.914 5.086 . 0 0 "[ . 1 . 2]" 2
115 1 42 THR H 1 44 THR H . . 5.500 4.072 3.991 4.288 . 0 0 "[ . 1 . 2]" 2
116 1 21 GLU HA 1 47 PHE HZ . . 6.140 5.653 5.487 5.797 . 0 0 "[ . 1 . 2]" 2
117 1 43 VAL H 1 44 THR HA . . 6.930 5.312 5.222 5.382 . 0 0 "[ . 1 . 2]" 2
118 1 42 THR MG 1 43 VAL HB . . 6.100 5.226 5.064 5.408 . 0 0 "[ . 1 . 2]" 2
119 1 44 THR MG 1 50 ALA H . . 5.650 4.556 4.216 4.723 . 0 0 "[ . 1 . 2]" 2
120 1 44 THR H 1 45 ALA MB . . 6.420 4.131 4.038 4.230 . 0 0 "[ . 1 . 2]" 2
121 1 46 GLN HG2 1 47 PHE QD . . 6.120 5.555 5.335 5.769 . 0 0 "[ . 1 . 2]" 2
122 1 45 ALA H 1 47 PHE H . . 5.500 3.967 3.879 4.022 . 0 0 "[ . 1 . 2]" 2
123 1 47 PHE HA 1 50 ALA MB . . 6.070 3.804 3.766 3.841 . 0 0 "[ . 1 . 2]" 2
124 1 47 PHE HA 1 85 TYR QE . . 7.000 5.493 5.309 5.613 . 0 0 "[ . 1 . 2]" 2
125 1 51 CYS HA 1 89 TYR QE . . 7.000 6.505 6.136 7.017 0.017 11 0 "[ . 1 . 2]" 2
126 1 51 CYS HA 1 89 TYR QD . . 5.500 5.409 4.687 5.553 0.053 15 0 "[ . 1 . 2]" 2
127 1 40 LEU MD2 1 43 VAL H . . 6.790 4.687 3.756 6.141 . 0 0 "[ . 1 . 2]" 2
128 1 21 GLU HB2 1 47 PHE HZ . . 6.440 4.937 4.911 4.964 . 0 0 "[ . 1 . 2]" 2
129 1 46 GLN HG3 1 47 PHE QD . . 6.120 5.208 4.953 5.508 . 0 0 "[ . 1 . 2]" 2
130 1 21 GLU HB3 1 47 PHE HZ . . 6.440 6.458 6.428 6.488 0.048 16 0 "[ . 1 . 2]" 2
131 1 19 VAL HB 1 47 PHE QE . . 5.500 4.711 4.423 5.019 . 0 0 "[ . 1 . 2]" 2
132 1 72 ILE MG 1 74 HIS HD2 . . 5.680 4.307 4.182 4.537 . 0 0 "[ . 1 . 2]" 2
133 1 21 GLU H 1 47 PHE QE . . 5.840 3.356 3.141 3.573 . 0 0 "[ . 1 . 2]" 2
134 1 28 ILE HG13 1 47 PHE QE . . 5.840 5.321 4.991 5.503 . 0 0 "[ . 1 . 2]" 2
135 1 28 ILE MD 1 47 PHE QE . . 5.640 5.544 3.704 5.664 0.024 2 0 "[ . 1 . 2]" 2
136 1 46 GLN HB2 1 47 PHE QE . . 6.390 3.087 2.840 4.042 . 0 0 "[ . 1 . 2]" 2
137 1 46 GLN HB3 1 47 PHE QE . . 6.390 3.485 2.755 3.710 . 0 0 "[ . 1 . 2]" 2
138 1 21 GLU HG2 1 47 PHE QE . . 6.140 5.719 5.644 5.822 . 0 0 "[ . 1 . 2]" 2
139 1 50 ALA HA 1 52 GLY H . . 5.500 3.746 3.540 4.194 . 0 0 "[ . 1 . 2]" 2
140 1 50 ALA HA 1 89 TYR QE . . 5.500 2.829 2.229 4.017 . 0 0 "[ . 1 . 2]" 2
141 1 50 ALA H 1 51 CYS H . . 5.500 4.423 4.242 4.576 . 0 0 "[ . 1 . 2]" 2
142 1 18 ARG HG3 1 19 VAL H . . 6.060 5.258 5.139 5.442 . 0 0 "[ . 1 . 2]" 2
143 1 53 LEU MD2 1 54 ARG H . . 6.310 4.946 4.936 4.951 . 0 0 "[ . 1 . 2]" 2
144 1 54 ARG HA 1 86 VAL HB . . 6.350 4.628 4.587 4.653 . 0 0 "[ . 1 . 2]" 2
145 1 54 ARG HA 1 85 TYR QE . . 6.490 6.713 6.678 6.738 0.248 16 0 "[ . 1 . 2]" 2
146 1 55 TYR QD 1 56 ARG H . . 6.490 2.614 2.563 2.655 . 0 0 "[ . 1 . 2]" 2
147 1 55 TYR QE 1 56 ARG H . . 5.640 4.637 4.608 4.666 . 0 0 "[ . 1 . 2]" 2
148 1 55 TYR QE 1 57 ASN HB3 . . 6.450 6.501 6.458 6.602 0.152 16 0 "[ . 1 . 2]" 2
149 1 59 VAL MG1 1 60 SER H . . 5.670 3.955 3.905 4.028 . 0 0 "[ . 1 . 2]" 2
150 1 59 VAL MG2 1 60 SER H . . 5.670 2.116 1.910 2.300 . 0 0 "[ . 1 . 2]" 2
151 1 62 CYS HB2 1 63 MET H . . 5.940 4.011 3.609 4.626 . 0 0 "[ . 1 . 2]" 2
152 1 63 MET H 1 64 ARG H . . 5.500 2.330 1.898 2.639 . 0 0 "[ . 1 . 2]" 2
153 1 55 TYR QE 1 83 LEU HA . . 7.000 6.028 5.995 6.474 . 0 0 "[ . 1 . 2]" 2
154 1 19 VAL H 1 27 PRO HB3 . . 6.160 5.049 4.586 5.189 . 0 0 "[ . 1 . 2]" 2
155 1 55 TYR QD 1 66 VAL MG1 . . 6.030 4.789 4.704 4.899 . 0 0 "[ . 1 . 2]" 2
156 1 55 TYR QE 1 66 VAL MG1 . . 6.340 4.198 3.981 4.325 . 0 0 "[ . 1 . 2]" 2
157 1 66 VAL MG1 1 75 ALA MB . . 6.340 4.401 4.258 4.551 . 0 0 "[ . 1 . 2]" 2
158 1 66 VAL MG2 1 75 ALA MB . . 6.340 4.906 4.582 5.100 . 0 0 "[ . 1 . 2]" 2
159 1 66 VAL H 1 67 ARG H . . 6.020 4.484 4.417 4.587 . 0 0 "[ . 1 . 2]" 2
160 1 67 ARG H 1 68 LEU H . . 6.360 4.591 4.413 4.617 . 0 0 "[ . 1 . 2]" 2
161 1 68 LEU HA 1 74 HIS HD2 . . 5.990 6.143 6.081 6.174 0.184 18 0 "[ . 1 . 2]" 2
162 1 73 LEU HA 1 74 HIS HD2 . . 6.350 6.286 6.159 6.389 0.039 17 0 "[ . 1 . 2]" 2
163 1 68 LEU HG 1 71 GLY H . . 5.690 4.409 4.237 4.574 . 0 0 "[ . 1 . 2]" 2
164 1 68 LEU H 1 69 VAL H . . 5.500 4.249 4.188 4.519 . 0 0 "[ . 1 . 2]" 2
165 1 68 LEU HG 1 69 VAL H . . 5.940 4.650 4.299 4.741 . 0 0 "[ . 1 . 2]" 2
166 1 69 VAL H 1 74 HIS H . . 5.500 3.661 3.555 3.755 . 0 0 "[ . 1 . 2]" 2
167 1 69 VAL HB 1 70 GLU H . . 5.970 4.211 4.119 4.277 . 0 0 "[ . 1 . 2]" 2
168 1 70 GLU H 1 71 GLY H . . 5.500 2.646 2.602 2.719 . 0 0 "[ . 1 . 2]" 2
169 1 71 GLY H 1 72 ILE H . . 5.630 2.887 2.879 2.895 . 0 0 "[ . 1 . 2]" 2
170 1 72 ILE HB 1 74 HIS HD2 . . 5.500 5.085 4.925 5.200 . 0 0 "[ . 1 . 2]" 2
171 1 38 VAL HB 1 73 LEU H . . 5.500 3.404 3.315 3.490 . 0 0 "[ . 1 . 2]" 2
172 1 40 LEU H 1 73 LEU H . . 5.500 4.198 4.073 4.315 . 0 0 "[ . 1 . 2]" 2
173 1 67 ARG H 1 74 HIS H . . 5.620 4.255 3.936 4.503 . 0 0 "[ . 1 . 2]" 2
174 1 39 LEU H 1 42 THR MG . . 6.090 4.510 4.317 4.659 . 0 0 "[ . 1 . 2]" 2
175 1 56 ARG H 1 84 VAL MG1 . . 6.520 5.048 5.004 5.166 . 0 0 "[ . 1 . 2]" 2
176 1 66 VAL MG1 1 74 HIS H . . 7.000 3.504 3.158 3.703 . 0 0 "[ . 1 . 2]" 2
177 1 66 VAL MG2 1 74 HIS H . . 7.000 5.995 5.626 6.161 . 0 0 "[ . 1 . 2]" 2
178 1 73 LEU MD1 1 74 HIS H . . 6.420 3.462 3.371 3.558 . 0 0 "[ . 1 . 2]" 2
179 1 74 HIS HA 1 75 ALA MB . . 5.500 3.937 3.911 3.963 . 0 0 "[ . 1 . 2]" 2
180 1 74 HIS HB2 1 75 ALA H . . 5.500 4.228 4.186 4.268 . 0 0 "[ . 1 . 2]" 2
181 1 69 VAL H 1 74 HIS HD2 . . 5.500 5.147 5.082 5.332 . 0 0 "[ . 1 . 2]" 2
182 1 69 VAL MG1 1 74 HIS HD2 . . 6.360 2.302 2.219 2.390 . 0 0 "[ . 1 . 2]" 2
183 1 69 VAL MG2 1 74 HIS HD2 . . 6.360 4.347 4.241 4.476 . 0 0 "[ . 1 . 2]" 2
184 1 74 HIS H 1 74 HIS HD2 . . 5.500 4.603 4.524 4.738 . 0 0 "[ . 1 . 2]" 2
185 1 74 HIS HB3 1 75 ALA H . . 5.500 3.291 3.188 3.397 . 0 0 "[ . 1 . 2]" 2
186 1 86 VAL HB 1 87 VAL H . . 6.550 4.237 4.085 4.288 . 0 0 "[ . 1 . 2]" 2
187 1 77 ASP HA 1 79 GLY H . . 5.500 4.293 4.255 4.386 . 0 0 "[ . 1 . 2]" 2
188 1 77 ASP H 1 78 ALA H . . 5.500 2.530 2.523 2.542 . 0 0 "[ . 1 . 2]" 2
189 1 22 ASP QB 1 25 ASP H . . 5.740 2.337 1.985 2.565 . 0 0 "[ . 1 . 2]" 2
190 1 17 ILE MG 1 80 TRP HB2 . . 5.500 5.042 4.967 5.109 . 0 0 "[ . 1 . 2]" 2
191 1 80 TRP HB2 1 81 GLY H . . 5.500 2.298 2.266 2.349 . 0 0 "[ . 1 . 2]" 2
192 1 80 TRP HB3 1 81 GLY H . . 5.500 3.181 3.097 3.243 . 0 0 "[ . 1 . 2]" 2
193 1 66 VAL MG2 1 80 TRP HH2 . . 6.780 3.893 3.736 3.989 . 0 0 "[ . 1 . 2]" 2
194 1 73 LEU H 1 80 TRP HH2 . . 5.840 4.798 4.693 4.909 . 0 0 "[ . 1 . 2]" 2
195 1 74 HIS H 1 80 TRP HH2 . . 5.500 4.093 3.982 4.224 . 0 0 "[ . 1 . 2]" 2
196 1 75 ALA H 1 80 TRP HZ2 . . 6.500 4.043 3.881 4.232 . 0 0 "[ . 1 . 2]" 2
197 1 82 ASN H 1 83 LEU H . . 5.550 2.531 2.490 2.558 . 0 0 "[ . 1 . 2]" 2
198 1 55 TYR QE 1 83 LEU MD1 . . 5.560 2.033 1.995 2.326 . 0 0 "[ . 1 . 2]" 2
199 1 55 TYR QE 1 83 LEU MD2 . . 5.560 2.006 1.873 2.076 . 0 0 "[ . 1 . 2]" 2
200 1 56 ARG HE 1 84 VAL HA . . 7.000 7.047 7.008 7.102 0.102 13 0 "[ . 1 . 2]" 2
201 1 20 THR MG 1 84 VAL HA . . 6.350 1.965 1.946 2.027 . 0 0 "[ . 1 . 2]" 2
202 1 50 ALA H 1 89 TYR QE . . 5.500 3.669 2.984 4.896 . 0 0 "[ . 1 . 2]" 2
203 1 50 ALA MB 1 89 TYR QE . . 6.510 3.494 3.048 4.513 . 0 0 "[ . 1 . 2]" 2
204 1 17 ILE HG12 1 30 ILE H . . 5.620 4.346 4.175 4.418 . 0 0 "[ . 1 . 2]" 2
205 1 53 LEU MD1 1 54 ARG H . . 6.310 3.718 3.664 3.752 . 0 0 "[ . 1 . 2]" 2
206 1 86 VAL MG2 1 87 VAL H . . 5.500 4.055 3.948 4.138 . 0 0 "[ . 1 . 2]" 2
207 1 86 VAL MG2 1 87 VAL HA . . 6.360 5.740 5.659 5.770 . 0 0 "[ . 1 . 2]" 2
208 1 47 PHE QD 1 87 VAL MG1 . . 6.410 4.373 3.980 5.212 . 0 0 "[ . 1 . 2]" 2
209 1 47 PHE QD 1 87 VAL MG2 . . 6.410 5.596 4.319 6.155 . 0 0 "[ . 1 . 2]" 2
210 1 50 ALA HA 1 87 VAL MG1 . . 6.290 3.486 2.348 4.032 . 0 0 "[ . 1 . 2]" 2
211 1 50 ALA HA 1 87 VAL MG2 . . 6.290 4.918 4.505 5.133 . 0 0 "[ . 1 . 2]" 2
212 1 50 ALA MB 1 87 VAL MG1 . . 6.050 2.329 1.883 2.522 . 0 0 "[ . 1 . 2]" 2
213 1 50 ALA MB 1 87 VAL MG2 . . 6.050 4.006 3.149 4.352 . 0 0 "[ . 1 . 2]" 2
214 1 50 ALA H 1 87 VAL MG1 . . 6.350 4.533 3.840 4.846 . 0 0 "[ . 1 . 2]" 2
215 1 50 ALA H 1 87 VAL MG2 . . 6.350 6.089 5.322 6.405 0.055 17 0 "[ . 1 . 2]" 2
216 1 51 CYS H 1 87 VAL MG1 . . 6.430 4.729 3.331 5.396 . 0 0 "[ . 1 . 2]" 2
217 1 51 CYS H 1 87 VAL MG2 . . 6.430 6.023 5.857 6.177 . 0 0 "[ . 1 . 2]" 2
218 1 52 GLY H 1 87 VAL MG1 . . 6.380 4.771 3.718 5.436 . 0 0 "[ . 1 . 2]" 2
219 1 52 GLY H 1 87 VAL MG2 . . 6.380 6.062 5.923 6.249 . 0 0 "[ . 1 . 2]" 2
220 1 50 ALA MB 1 88 ASN H . . 5.500 3.571 3.366 3.814 . 0 0 "[ . 1 . 2]" 2
221 1 87 VAL MG1 1 88 ASN H . . 6.230 3.076 1.964 3.696 . 0 0 "[ . 1 . 2]" 2
222 1 87 VAL MG2 1 88 ASN H . . 6.230 3.807 3.618 4.112 . 0 0 "[ . 1 . 2]" 2
223 1 51 CYS H 1 89 TYR QD . . 5.500 3.078 1.945 3.663 . 0 0 "[ . 1 . 2]" 2
224 1 92 ASP QB 1 93 ASN H . . 6.140 2.970 1.976 4.026 . 0 0 "[ . 1 . 2]" 2
225 1 34 ASP HA 1 36 GLY H . . 5.500 3.738 3.697 3.776 . 0 0 "[ . 1 . 2]" 2
226 1 104 SER HB2 1 105 ALA H . . 6.410 3.492 1.952 4.583 . 0 0 "[ . 1 . 2]" 2
227 1 104 SER HB3 1 105 ALA H . . 6.410 3.381 2.115 4.666 . 0 0 "[ . 1 . 2]" 2
228 1 111 ALA MB 1 112 VAL H . . 6.510 2.718 1.975 3.505 . 0 0 "[ . 1 . 2]" 2
229 1 28 ILE MD 1 29 GLU H . . 6.270 2.024 1.909 2.921 . 0 0 "[ . 1 . 2]" 2
230 1 109 LYS H 1 109 LYS QD . . 5.500 4.352 2.195 4.939 . 0 0 "[ . 1 . 2]" 2
231 1 34 ASP QB 1 35 ASP H . . 5.760 3.114 2.604 3.469 . 0 0 "[ . 1 . 2]" 2
232 1 15 GLU QB 1 32 SER H . . 5.760 5.767 5.715 5.807 0.047 1 0 "[ . 1 . 2]" 2
233 1 15 GLU QG 1 16 TYR H . . 5.340 2.563 2.051 3.961 . 0 0 "[ . 1 . 2]" 2
234 1 16 TYR QB 1 17 ILE QG . . 5.180 5.284 5.250 5.332 0.152 1 0 "[ . 1 . 2]" 2
235 1 16 TYR QB 1 30 ILE QG . . 5.780 4.442 4.383 4.519 . 0 0 "[ . 1 . 2]" 2
236 1 16 TYR QD 1 18 ARG QB . . 5.310 3.673 3.532 3.777 . 0 0 "[ . 1 . 2]" 2
237 1 16 TYR QD 1 29 GLU QG . . 6.740 5.308 4.078 5.768 . 0 0 "[ . 1 . 2]" 2
238 1 16 TYR QD 1 31 PRO QB . . 5.660 5.692 5.667 5.725 0.065 1 0 "[ . 1 . 2]" 2
239 1 16 TYR QD 1 31 PRO QD . . 6.740 6.285 6.196 6.336 . 0 0 "[ . 1 . 2]" 2
240 1 17 ILE H 1 17 ILE QG . . 5.050 3.937 3.905 3.967 . 0 0 "[ . 1 . 2]" 2
241 1 17 ILE H 1 18 ARG QB . . 5.660 5.422 5.321 5.614 . 0 0 "[ . 1 . 2]" 2
242 1 17 ILE H 1 18 ARG QG . . 6.740 4.840 4.434 5.075 . 0 0 "[ . 1 . 2]" 2
243 1 17 ILE MG 1 19 VAL QG . . 5.300 3.355 3.255 3.521 . 0 0 "[ . 1 . 2]" 2
244 1 17 ILE MG 1 83 LEU QD . . 6.880 6.235 6.143 6.517 . 0 0 "[ . 1 . 2]" 2
245 1 17 ILE QG 1 18 ARG H . . 6.130 2.704 2.580 2.785 . 0 0 "[ . 1 . 2]" 2
246 1 17 ILE QG 1 19 VAL QG . . 5.680 1.888 1.856 1.919 . 0 0 "[ . 1 . 2]" 2
247 1 17 ILE QG 1 30 ILE H . . 4.950 4.210 4.057 4.277 . 0 0 "[ . 1 . 2]" 2
248 1 17 ILE QG 1 30 ILE HB . . 5.340 5.279 5.033 5.470 0.130 19 0 "[ . 1 . 2]" 2
249 1 17 ILE QG 1 30 ILE QG . . 5.910 3.139 3.091 3.209 . 0 0 "[ . 1 . 2]" 2
250 1 17 ILE QG 1 30 ILE MD . . 5.800 2.998 2.884 3.163 . 0 0 "[ . 1 . 2]" 2
251 1 17 ILE QG 1 32 SER QB . . 4.920 4.925 4.849 4.968 0.048 16 0 "[ . 1 . 2]" 2
252 1 17 ILE QG 1 80 TRP HD1 . . 6.740 4.453 4.335 4.509 . 0 0 "[ . 1 . 2]" 2
253 1 17 ILE MD 1 19 VAL QG . . 4.970 2.142 2.076 2.228 . 0 0 "[ . 1 . 2]" 2
254 1 17 ILE MD 1 30 ILE QG . . 5.340 3.659 3.559 3.729 . 0 0 "[ . 1 . 2]" 2
255 1 17 ILE MD 1 43 VAL QG . . 6.430 3.541 3.481 3.604 . 0 0 "[ . 1 . 2]" 2
256 1 17 ILE MD 1 73 LEU QD . . 6.880 4.400 4.341 4.474 . 0 0 "[ . 1 . 2]" 2
257 1 17 ILE MD 1 83 LEU QD . . 6.880 4.721 4.613 4.930 . 0 0 "[ . 1 . 2]" 2
258 1 18 ARG H 1 18 ARG QD . . 5.160 4.876 4.652 4.988 . 0 0 "[ . 1 . 2]" 2
259 1 18 ARG H 1 19 VAL QG . . 5.900 3.332 3.263 3.406 . 0 0 "[ . 1 . 2]" 2
260 1 18 ARG H 1 80 TRP QB . . 6.250 2.465 2.319 2.581 . 0 0 "[ . 1 . 2]" 2
261 1 18 ARG QB 1 18 ARG HE . . 4.960 2.904 2.248 3.249 . 0 0 "[ . 1 . 2]" 2
262 1 18 ARG QB 1 29 GLU QB . . 5.180 3.926 3.739 4.411 . 0 0 "[ . 1 . 2]" 2
263 1 18 ARG QG 1 19 VAL H . . 5.210 3.869 3.762 4.145 . 0 0 "[ . 1 . 2]" 2
264 1 18 ARG HE 1 29 GLU QB . . 6.140 3.701 2.168 4.970 . 0 0 "[ . 1 . 2]" 2
265 1 19 VAL H 1 27 PRO QB . . 5.420 4.118 3.623 4.256 . 0 0 "[ . 1 . 2]" 2
266 1 19 VAL H 1 28 ILE QG . . 6.300 4.932 4.836 5.384 . 0 0 "[ . 1 . 2]" 2
267 1 19 VAL HA 1 83 LEU QD . . 5.640 3.326 3.248 3.643 . 0 0 "[ . 1 . 2]" 2
268 1 19 VAL HB 1 46 GLN QE . . 5.960 6.089 6.036 6.350 0.390 20 0 "[ . 1 . 2]" 2
269 1 19 VAL HB 1 85 TYR QB . . 5.980 2.023 1.971 2.210 . 0 0 "[ . 1 . 2]" 2
270 1 19 VAL QG 1 20 THR HA . . 5.440 4.004 3.958 4.074 . 0 0 "[ . 1 . 2]" 2
271 1 19 VAL QG 1 46 GLN QE . . 6.600 3.746 3.584 4.562 . 0 0 "[ . 1 . 2]" 2
272 1 19 VAL QG 1 47 PHE HZ . . 6.880 2.595 2.403 2.776 . 0 0 "[ . 1 . 2]" 2
273 1 19 VAL QG 1 80 TRP HZ3 . . 6.750 4.163 4.031 4.248 . 0 0 "[ . 1 . 2]" 2
274 1 19 VAL QG 1 85 TYR QB . . 4.420 2.416 2.332 2.472 . 0 0 "[ . 1 . 2]" 2
275 1 19 VAL QG 1 85 TYR QD . . 6.190 2.711 2.633 2.796 . 0 0 "[ . 1 . 2]" 2
276 1 20 THR H 1 86 VAL QG . . 6.880 6.646 6.459 6.816 . 0 0 "[ . 1 . 2]" 2
277 1 20 THR HB 1 84 VAL QG . . 5.520 4.041 4.013 4.085 . 0 0 "[ . 1 . 2]" 2
278 1 20 THR MG 1 84 VAL QG . . 6.410 1.826 1.800 1.858 . 0 0 "[ . 1 . 2]" 2
279 1 21 GLU H 1 86 VAL QG . . 6.880 6.884 6.753 6.957 0.077 6 0 "[ . 1 . 2]" 2
280 1 21 GLU QB 1 47 PHE QD . . 5.990 3.114 2.926 3.317 . 0 0 "[ . 1 . 2]" 2
281 1 21 GLU QB 1 47 PHE QE . . 5.160 3.157 3.059 3.286 . 0 0 "[ . 1 . 2]" 2
282 1 21 GLU QB 1 47 PHE HZ . . 5.670 4.790 4.767 4.815 . 0 0 "[ . 1 . 2]" 2
283 1 21 GLU QB 1 85 TYR QD . . 6.160 4.465 4.254 4.578 . 0 0 "[ . 1 . 2]" 2
284 1 21 GLU QB 1 85 TYR QE . . 5.660 2.789 2.485 2.967 . 0 0 "[ . 1 . 2]" 2
285 1 21 GLU QB 1 87 VAL QG . . 5.060 3.322 3.236 3.480 . 0 0 "[ . 1 . 2]" 2
286 1 21 GLU QG 1 47 PHE QE . . 5.300 4.593 4.482 4.699 . 0 0 "[ . 1 . 2]" 2
287 1 21 GLU QG 1 47 PHE HZ . . 5.950 5.981 5.964 6.011 0.061 16 0 "[ . 1 . 2]" 2
288 1 22 ASP H 1 25 ASP QB . . 5.080 2.674 2.366 3.084 . 0 0 "[ . 1 . 2]" 2
289 1 28 ILE MG 1 46 GLN QE . . 5.630 1.858 1.782 2.368 . 0 0 "[ . 1 . 2]" 2
290 1 28 ILE QG 1 46 GLN QE . . 4.910 2.564 2.340 3.758 . 0 0 "[ . 1 . 2]" 2
291 1 28 ILE QG 1 47 PHE QE . . 5.040 4.450 4.351 4.750 . 0 0 "[ . 1 . 2]" 2
292 1 28 ILE MD 1 46 GLN QG . . 5.790 3.838 1.892 4.514 . 0 0 "[ . 1 . 2]" 2
293 1 28 ILE MD 1 46 GLN QE . . 5.460 3.903 1.897 4.174 . 0 0 "[ . 1 . 2]" 2
294 1 30 ILE HB 1 31 PRO QD . . 4.980 2.501 2.170 2.824 . 0 0 "[ . 1 . 2]" 2
295 1 30 ILE QG 1 31 PRO QD . . 5.870 4.007 3.939 4.059 . 0 0 "[ . 1 . 2]" 2
296 1 30 ILE MD 1 31 PRO QG . . 5.660 5.195 4.856 5.496 . 0 0 "[ . 1 . 2]" 2
297 1 30 ILE MD 1 31 PRO QD . . 5.070 4.134 3.926 4.319 . 0 0 "[ . 1 . 2]" 2
298 1 33 GLU QB 1 38 VAL QG . . 6.880 4.220 4.060 4.496 . 0 0 "[ . 1 . 2]" 2
299 1 33 GLU QG 1 35 ASP QB . . 6.290 4.375 2.875 4.942 . 0 0 "[ . 1 . 2]" 2
300 1 34 ASP QB 1 35 ASP QB . . 5.340 4.538 3.968 5.139 . 0 0 "[ . 1 . 2]" 2
301 1 37 THR MG 1 38 VAL QG . . 5.860 4.700 4.686 4.722 . 0 0 "[ . 1 . 2]" 2
302 1 37 THR MG 1 74 HIS QB . . 5.500 3.188 3.173 3.197 . 0 0 "[ . 1 . 2]" 2
303 1 38 VAL HB 1 73 LEU QB . . 6.220 2.131 2.062 2.218 . 0 0 "[ . 1 . 2]" 2
304 1 38 VAL QG 1 40 LEU HA . . 5.620 3.989 3.911 4.099 . 0 0 "[ . 1 . 2]" 2
305 1 38 VAL QG 1 42 THR H . . 5.440 3.755 3.653 3.888 . 0 0 "[ . 1 . 2]" 2
306 1 38 VAL QG 1 42 THR HA . . 6.380 4.567 4.405 4.775 . 0 0 "[ . 1 . 2]" 2
307 1 38 VAL QG 1 42 THR MG . . 5.480 2.595 2.332 2.817 . 0 0 "[ . 1 . 2]" 2
308 1 38 VAL QG 1 43 VAL H . . 5.440 3.151 3.018 3.322 . 0 0 "[ . 1 . 2]" 2
309 1 38 VAL QG 1 43 VAL QG . . 5.130 2.234 2.072 2.461 . 0 0 "[ . 1 . 2]" 2
310 1 38 VAL QG 1 72 ILE MG . . 6.610 3.972 3.893 4.048 . 0 0 "[ . 1 . 2]" 2
311 1 38 VAL QG 1 73 LEU QB . . 4.760 2.933 2.862 2.996 . 0 0 "[ . 1 . 2]" 2
312 1 38 VAL QG 1 73 LEU QD . . 5.820 3.131 3.040 3.244 . 0 0 "[ . 1 . 2]" 2
313 1 38 VAL QG 1 80 TRP HD1 . . 6.880 4.113 4.024 4.228 . 0 0 "[ . 1 . 2]" 2
314 1 38 VAL QG 1 80 TRP HZ2 . . 4.960 2.039 2.005 2.097 . 0 0 "[ . 1 . 2]" 2
315 1 39 LEU H 1 43 VAL QG . . 5.980 5.052 4.897 5.171 . 0 0 "[ . 1 . 2]" 2
316 1 39 LEU HA 1 73 LEU QD . . 6.880 4.595 4.496 4.673 . 0 0 "[ . 1 . 2]" 2
317 1 39 LEU QB 1 40 LEU HA . . 5.840 4.739 4.650 4.831 . 0 0 "[ . 1 . 2]" 2
318 1 39 LEU QB 1 40 LEU QD . . 5.820 5.210 4.934 5.400 . 0 0 "[ . 1 . 2]" 2
319 1 39 LEU QD 1 41 SER H . . 6.630 2.753 1.900 3.972 . 0 0 "[ . 1 . 2]" 2
320 1 39 LEU QD 1 41 SER QB . . 5.410 2.776 2.234 3.686 . 0 0 "[ . 1 . 2]" 2
321 1 39 LEU QD 1 42 THR H . . 5.720 3.840 3.403 4.278 . 0 0 "[ . 1 . 2]" 2
322 1 40 LEU H 1 43 VAL QG . . 5.660 4.703 4.563 4.824 . 0 0 "[ . 1 . 2]" 2
323 1 40 LEU H 1 68 LEU QD . . 6.320 4.992 4.881 5.120 . 0 0 "[ . 1 . 2]" 2
324 1 40 LEU H 1 73 LEU QD . . 6.880 3.970 3.850 4.077 . 0 0 "[ . 1 . 2]" 2
325 1 40 LEU HA 1 43 VAL QG . . 6.370 2.926 2.684 3.053 . 0 0 "[ . 1 . 2]" 2
326 1 40 LEU QB 1 43 VAL QG . . 5.910 4.355 4.268 4.407 . 0 0 "[ . 1 . 2]" 2
327 1 40 LEU HG 1 71 GLY QA . . 5.340 3.290 2.506 4.446 . 0 0 "[ . 1 . 2]" 2
328 1 40 LEU QD 1 43 VAL HA . . 5.440 4.868 4.661 5.019 . 0 0 "[ . 1 . 2]" 2
329 1 40 LEU QD 1 50 ALA MB . . 6.100 4.484 4.284 4.689 . 0 0 "[ . 1 . 2]" 2
330 1 40 LEU QD 1 68 LEU HG . . 6.030 4.066 3.854 4.347 . 0 0 "[ . 1 . 2]" 2
331 1 40 LEU QD 1 71 GLY QA . . 5.350 2.136 1.786 2.767 . 0 0 "[ . 1 . 2]" 2
332 1 42 THR H 1 43 VAL QG . . 6.280 4.315 4.248 4.353 . 0 0 "[ . 1 . 2]" 2
333 1 42 THR HB 1 43 VAL QG . . 5.950 3.581 3.503 3.650 . 0 0 "[ . 1 . 2]" 2
334 1 43 VAL HA 1 46 GLN QB . . 6.120 4.837 4.275 5.031 . 0 0 "[ . 1 . 2]" 2
335 1 43 VAL QG 1 46 GLN QE . . 6.600 4.644 3.720 6.082 . 0 0 "[ . 1 . 2]" 2
336 1 43 VAL QG 1 47 PHE HA . . 5.770 4.711 4.655 4.738 . 0 0 "[ . 1 . 2]" 2
337 1 43 VAL QG 1 47 PHE QB . . 5.280 2.260 2.202 2.294 . 0 0 "[ . 1 . 2]" 2
338 1 43 VAL QG 1 47 PHE QD . . 5.570 2.060 1.930 2.214 . 0 0 "[ . 1 . 2]" 2
339 1 43 VAL QG 1 50 ALA MB . . 5.630 2.547 2.510 2.587 . 0 0 "[ . 1 . 2]" 2
340 1 43 VAL QG 1 85 TYR QB . . 5.860 5.924 5.891 5.963 0.103 20 0 "[ . 1 . 2]" 2
341 1 43 VAL QG 1 85 TYR QE . . 6.210 4.648 4.555 4.718 . 0 0 "[ . 1 . 2]" 2
342 1 44 THR HB 1 48 PRO QB . . 6.240 3.588 3.500 3.666 . 0 0 "[ . 1 . 2]" 2
343 1 46 GLN QB 1 47 PHE QD . . 5.630 2.996 2.915 3.124 . 0 0 "[ . 1 . 2]" 2
344 1 46 GLN QB 1 47 PHE QE . . 5.550 2.822 2.712 2.989 . 0 0 "[ . 1 . 2]" 2
345 1 47 PHE H 1 48 PRO QD . . 5.350 3.278 3.199 3.331 . 0 0 "[ . 1 . 2]" 2
346 1 47 PHE QB 1 50 ALA MB . . 6.130 2.129 2.093 2.167 . 0 0 "[ . 1 . 2]" 2
347 1 47 PHE QB 1 85 TYR QE . . 5.500 3.832 3.679 3.920 . 0 0 "[ . 1 . 2]" 2
348 1 47 PHE QB 1 87 VAL QG . . 5.190 3.023 2.888 3.326 . 0 0 "[ . 1 . 2]" 2
349 1 47 PHE QE 1 87 VAL QG . . 6.140 4.987 4.859 5.150 . 0 0 "[ . 1 . 2]" 2
350 1 49 GLY H 1 87 VAL QG . . 6.880 6.608 5.987 6.889 0.009 1 0 "[ . 1 . 2]" 2
351 1 49 GLY QA 1 89 TYR QD . . 5.040 3.944 3.602 4.083 . 0 0 "[ . 1 . 2]" 2
352 1 50 ALA H 1 87 VAL QG . . 5.480 4.415 3.756 4.707 . 0 0 "[ . 1 . 2]" 2
353 1 50 ALA HA 1 87 VAL QG . . 5.330 3.399 2.340 3.888 . 0 0 "[ . 1 . 2]" 2
354 1 51 CYS H 1 87 VAL QG . . 5.600 4.512 3.313 5.075 . 0 0 "[ . 1 . 2]" 2
355 1 51 CYS QB 1 89 TYR HA . . 6.050 2.718 2.062 3.606 . 0 0 "[ . 1 . 2]" 2
356 1 52 GLY H 1 87 VAL QG . . 5.540 4.567 3.682 5.119 . 0 0 "[ . 1 . 2]" 2
357 1 53 LEU H 1 53 LEU QD . . 5.220 2.064 2.039 2.092 . 0 0 "[ . 1 . 2]" 2
358 1 53 LEU QB 1 54 ARG HA . . 5.650 4.240 4.236 4.244 . 0 0 "[ . 1 . 2]" 2
359 1 54 ARG QG 1 86 VAL QG . . 6.130 3.741 3.490 3.909 . 0 0 "[ . 1 . 2]" 2
360 1 55 TYR QE 1 57 ASN QB . . 5.590 5.294 4.756 5.623 0.033 9 0 "[ . 1 . 2]" 2
361 1 55 TYR QE 1 58 PRO QD . . 6.490 6.647 6.577 6.728 0.238 2 0 "[ . 1 . 2]" 2
362 1 55 TYR QE 1 66 VAL QG . . 5.440 2.636 2.570 2.743 . 0 0 "[ . 1 . 2]" 2
363 1 55 TYR QE 1 83 LEU QB . . 6.110 3.994 3.963 4.256 . 0 0 "[ . 1 . 2]" 2
364 1 56 ARG H 1 83 LEU QD . . 6.670 3.096 1.996 3.180 . 0 0 "[ . 1 . 2]" 2
365 1 56 ARG H 1 84 VAL QG . . 5.220 4.584 4.540 4.724 . 0 0 "[ . 1 . 2]" 2
366 1 56 ARG QB 1 84 VAL QG . . 6.180 2.954 2.865 3.038 . 0 0 "[ . 1 . 2]" 2
367 1 56 ARG QB 1 86 VAL QG . . 6.610 2.595 2.419 2.726 . 0 0 "[ . 1 . 2]" 2
368 1 56 ARG QG 1 84 VAL QG . . 6.210 2.859 2.509 3.613 . 0 0 "[ . 1 . 2]" 2
369 1 56 ARG QD 1 84 VAL QG . . 5.750 3.625 2.304 4.241 . 0 0 "[ . 1 . 2]" 2
370 1 56 ARG HE 1 84 VAL QG . . 5.960 3.762 3.639 3.875 . 0 0 "[ . 1 . 2]" 2
371 1 57 ASN QD 1 64 ARG QG . . 6.300 6.169 5.027 6.320 0.020 17 0 "[ . 1 . 2]" 2
372 1 58 PRO QG 1 83 LEU QD . . 6.260 5.411 4.809 5.549 . 0 0 "[ . 1 . 2]" 2
373 1 58 PRO QD 1 83 LEU HG . . 6.420 4.856 4.762 4.995 . 0 0 "[ . 1 . 2]" 2
374 1 58 PRO QD 1 83 LEU QD . . 5.820 4.234 3.218 4.367 . 0 0 "[ . 1 . 2]" 2
375 1 59 VAL HA 1 60 SER QB . . 5.660 5.180 5.173 5.216 . 0 0 "[ . 1 . 2]" 2
376 1 59 VAL HB 1 60 SER QB . . 5.340 4.980 4.851 5.143 . 0 0 "[ . 1 . 2]" 2
377 1 59 VAL QG 1 60 SER H . . 4.970 2.107 1.906 2.285 . 0 0 "[ . 1 . 2]" 2
378 1 59 VAL QG 1 61 GLN H . . 6.090 4.003 3.904 4.093 . 0 0 "[ . 1 . 2]" 2
379 1 60 SER QB 1 62 CYS H . . 6.130 2.667 2.475 3.953 . 0 0 "[ . 1 . 2]" 2
380 1 63 MET QG 1 64 ARG H . . 5.730 4.401 3.773 4.637 . 0 0 "[ . 1 . 2]" 2
381 1 65 GLY QA 1 76 PRO QG . . 6.280 6.204 6.129 6.268 . 0 0 "[ . 1 . 2]" 2
382 1 66 VAL QG 1 67 ARG H . . 6.580 2.770 2.450 2.943 . 0 0 "[ . 1 . 2]" 2
383 1 66 VAL QG 1 73 LEU HA . . 6.730 3.280 3.076 3.375 . 0 0 "[ . 1 . 2]" 2
384 1 66 VAL QG 1 73 LEU QD . . 5.010 1.873 1.845 1.887 . 0 0 "[ . 1 . 2]" 2
385 1 66 VAL QG 1 74 HIS H . . 5.980 3.481 3.142 3.675 . 0 0 "[ . 1 . 2]" 2
386 1 66 VAL QG 1 75 ALA MB . . 5.460 4.103 3.952 4.246 . 0 0 "[ . 1 . 2]" 2
387 1 66 VAL QG 1 80 TRP HH2 . . 5.700 2.331 2.164 2.506 . 0 0 "[ . 1 . 2]" 2
388 1 68 LEU HG 1 73 LEU QD . . 6.300 2.766 2.656 2.889 . 0 0 "[ . 1 . 2]" 2
389 1 68 LEU QD 1 69 VAL H . . 5.440 2.107 1.845 2.187 . 0 0 "[ . 1 . 2]" 2
390 1 68 LEU QD 1 69 VAL HA . . 5.520 2.731 2.524 2.803 . 0 0 "[ . 1 . 2]" 2
391 1 68 LEU QD 1 70 GLU HA . . 5.440 4.044 3.931 4.152 . 0 0 "[ . 1 . 2]" 2
392 1 68 LEU QD 1 71 GLY H . . 5.440 2.014 1.931 2.086 . 0 0 "[ . 1 . 2]" 2
393 1 68 LEU QD 1 71 GLY QA . . 5.490 2.094 1.998 2.269 . 0 0 "[ . 1 . 2]" 2
394 1 68 LEU QD 1 72 ILE H . . 5.440 2.998 2.842 3.114 . 0 0 "[ . 1 . 2]" 2
395 1 68 LEU QD 1 72 ILE HB . . 5.760 4.199 4.013 4.351 . 0 0 "[ . 1 . 2]" 2
396 1 68 LEU QD 1 73 LEU H . . 5.440 3.400 3.209 3.482 . 0 0 "[ . 1 . 2]" 2
397 1 68 LEU QD 1 73 LEU QB . . 6.040 3.830 3.693 3.887 . 0 0 "[ . 1 . 2]" 2
398 1 68 LEU QD 1 74 HIS H . . 6.280 3.839 3.544 4.004 . 0 0 "[ . 1 . 2]" 2
399 1 69 VAL QG 1 70 GLU QB . . 5.690 2.938 2.762 3.039 . 0 0 "[ . 1 . 2]" 2
400 1 69 VAL QG 1 71 GLY H . . 6.380 4.043 3.989 4.078 . 0 0 "[ . 1 . 2]" 2
401 1 69 VAL QG 1 74 HIS H . . 6.070 3.580 3.413 3.667 . 0 0 "[ . 1 . 2]" 2
402 1 69 VAL QG 1 74 HIS QB . . 5.890 2.640 2.557 2.672 . 0 0 "[ . 1 . 2]" 2
403 1 69 VAL QG 1 74 HIS HD2 . . 5.440 2.294 2.212 2.381 . 0 0 "[ . 1 . 2]" 2
404 1 70 GLU QB 1 72 ILE QG . . 5.180 3.989 3.936 4.063 . 0 0 "[ . 1 . 2]" 2
405 1 72 ILE HA 1 73 LEU QB . . 5.340 4.258 4.244 4.267 . 0 0 "[ . 1 . 2]" 2
406 1 72 ILE QG 1 73 LEU H . . 5.340 4.208 4.179 4.234 . 0 0 "[ . 1 . 2]" 2
407 1 73 LEU QD 1 74 HIS H . . 5.400 3.370 3.291 3.450 . 0 0 "[ . 1 . 2]" 2
408 1 73 LEU QD 1 80 TRP HZ3 . . 6.880 4.384 4.308 4.450 . 0 0 "[ . 1 . 2]" 2
409 1 73 LEU QD 1 80 TRP HZ2 . . 5.440 5.005 4.927 5.078 . 0 0 "[ . 1 . 2]" 2
410 1 75 ALA MB 1 76 PRO QG . . 5.350 3.468 3.417 3.513 . 0 0 "[ . 1 . 2]" 2
411 1 76 PRO QB 1 78 ALA H . . 5.370 2.220 2.206 2.244 . 0 0 "[ . 1 . 2]" 2
412 1 76 PRO QG 1 77 ASP H . . 5.090 3.819 3.797 3.834 . 0 0 "[ . 1 . 2]" 2
413 1 76 PRO QG 1 78 ALA H . . 5.350 2.627 2.589 2.652 . 0 0 "[ . 1 . 2]" 2
414 1 76 PRO QG 1 78 ALA MB . . 6.170 3.042 2.943 3.177 . 0 0 "[ . 1 . 2]" 2
415 1 76 PRO QD 1 78 ALA MB . . 5.350 4.737 4.656 4.815 . 0 0 "[ . 1 . 2]" 2
416 1 76 PRO QD 1 79 GLY H . . 6.130 3.202 3.171 3.227 . 0 0 "[ . 1 . 2]" 2
417 1 79 GLY QA 1 81 GLY H . . 5.340 3.896 3.860 3.983 . 0 0 "[ . 1 . 2]" 2
418 1 80 TRP HA 1 83 LEU QD . . 6.770 3.976 3.905 4.435 . 0 0 "[ . 1 . 2]" 2
419 1 80 TRP QB 1 83 LEU QD . . 6.350 4.031 3.965 4.493 . 0 0 "[ . 1 . 2]" 2
420 1 80 TRP HE3 1 83 LEU QD . . 6.030 4.276 4.187 4.513 . 0 0 "[ . 1 . 2]" 2
421 1 83 LEU H 1 83 LEU QD . . 5.070 1.644 1.630 1.833 . 0 0 "[ . 1 . 2]" 2
422 1 83 LEU QB 1 84 VAL QG . . 6.610 3.583 3.538 3.673 . 0 0 "[ . 1 . 2]" 2
423 1 83 LEU QB 1 85 TYR H . . 6.740 5.721 5.672 6.104 . 0 0 "[ . 1 . 2]" 2
424 1 84 VAL H 1 85 TYR QB . . 5.340 5.415 5.383 5.435 0.095 3 0 "[ . 1 . 2]" 2
425 1 84 VAL QG 1 85 TYR QB . . 6.090 3.969 3.955 3.990 . 0 0 "[ . 1 . 2]" 2
426 1 86 VAL QG 1 87 VAL HA . . 5.620 4.081 3.918 4.198 . 0 0 "[ . 1 . 2]" 2
427 1 86 VAL QG 1 88 ASN H . . 6.300 4.885 4.703 5.023 . 0 0 "[ . 1 . 2]" 2
428 1 108 VAL QG 1 109 LYS H . . 5.440 2.528 1.984 3.444 . 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 49
_Distance_constraint_stats_list.Viol_count 143
_Distance_constraint_stats_list.Viol_total 103.566
_Distance_constraint_stats_list.Viol_max 0.140
_Distance_constraint_stats_list.Viol_rms 0.0189
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0053
_Distance_constraint_stats_list.Viol_average_violations_only 0.0362
_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 GLU 0.335 0.047 18 0 "[ . 1 . 2]"
1 17 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ARG 0.034 0.034 1 0 "[ . 1 . 2]"
1 19 VAL 0.092 0.026 4 0 "[ . 1 . 2]"
1 20 THR 0.209 0.040 15 0 "[ . 1 . 2]"
1 21 GLU 0.133 0.024 4 0 "[ . 1 . 2]"
1 22 ASP 0.133 0.024 4 0 "[ . 1 . 2]"
1 23 GLU 0.467 0.051 6 0 "[ . 1 . 2]"
1 24 ASN 0.467 0.051 6 0 "[ . 1 . 2]"
1 25 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ILE 0.092 0.026 4 0 "[ . 1 . 2]"
1 30 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 SER 0.335 0.047 18 0 "[ . 1 . 2]"
1 34 ASP 0.144 0.031 16 0 "[ . 1 . 2]"
1 35 ASP 0.451 0.031 16 0 "[ . 1 . 2]"
1 36 GLY 0.307 0.025 4 0 "[ . 1 . 2]"
1 38 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 GLY 0.072 0.029 1 0 "[ . 1 . 2]"
1 54 ARG 0.228 0.064 2 0 "[ . 1 . 2]"
1 56 ARG 0.854 0.122 2 0 "[ . 1 . 2]"
1 67 ARG 2.304 0.140 17 0 "[ . 1 . 2]"
1 69 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 HIS 2.304 0.140 17 0 "[ . 1 . 2]"
1 81 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 LEU 0.243 0.040 15 0 "[ . 1 . 2]"
1 84 VAL 0.854 0.122 2 0 "[ . 1 . 2]"
1 85 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 VAL 0.228 0.064 2 0 "[ . 1 . 2]"
1 88 ASN 0.072 0.029 1 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 19 VAL H 1 28 ILE O . . 2.400 2.241 2.122 2.373 . 0 0 "[ . 1 . 2]" 3
2 1 19 VAL N 1 28 ILE O . . 3.400 3.096 2.971 3.246 . 0 0 "[ . 1 . 2]" 3
3 1 19 VAL O 1 28 ILE H . . 3.400 2.570 1.977 2.822 . 0 0 "[ . 1 . 2]" 3
4 1 19 VAL O 1 28 ILE N . . 3.400 3.223 2.662 3.426 0.026 4 0 "[ . 1 . 2]" 3
5 1 17 ILE H 1 30 ILE O . . 2.400 2.115 2.019 2.172 . 0 0 "[ . 1 . 2]" 3
6 1 17 ILE N 1 30 ILE O . . 3.400 3.089 2.996 3.150 . 0 0 "[ . 1 . 2]" 3
7 1 17 ILE O 1 30 ILE H . . 2.400 1.986 1.908 2.120 . 0 0 "[ . 1 . 2]" 3
8 1 17 ILE O 1 30 ILE N . . 3.400 2.947 2.859 3.098 . 0 0 "[ . 1 . 2]" 3
9 1 15 GLU O 1 32 SER H . . 3.900 3.132 3.047 3.195 . 0 0 "[ . 1 . 2]" 3
10 1 15 GLU O 1 32 SER N . . 3.900 3.876 3.759 3.947 0.047 18 0 "[ . 1 . 2]" 3
11 1 69 VAL H 1 72 ILE O . . 4.400 2.142 2.047 2.194 . 0 0 "[ . 1 . 2]" 3
12 1 69 VAL N 1 72 ILE O . . 4.300 3.114 3.026 3.167 . 0 0 "[ . 1 . 2]" 3
13 1 69 VAL O 1 72 ILE H . . 2.400 2.245 2.087 2.337 . 0 0 "[ . 1 . 2]" 3
14 1 69 VAL O 1 72 ILE N . . 3.300 2.995 2.817 3.104 . 0 0 "[ . 1 . 2]" 3
15 1 38 VAL O 1 73 LEU H . . 2.400 1.998 1.881 2.079 . 0 0 "[ . 1 . 2]" 3
16 1 38 VAL O 1 73 LEU N . . 3.300 2.785 2.746 2.835 . 0 0 "[ . 1 . 2]" 3
17 1 38 VAL H 1 73 LEU O . . 2.400 2.017 1.943 2.126 . 0 0 "[ . 1 . 2]" 3
18 1 38 VAL N 1 73 LEU O . . 3.300 2.788 2.738 2.873 . 0 0 "[ . 1 . 2]" 3
19 1 67 ARG O 1 74 HIS H . . 3.400 1.829 1.785 1.923 . 0 0 "[ . 1 . 2]" 3
20 1 67 ARG O 1 74 HIS N . . 3.300 2.622 2.610 2.660 . 0 0 "[ . 1 . 2]" 3
21 1 67 ARG H 1 74 HIS O . . 3.400 2.795 2.579 2.900 . 0 0 "[ . 1 . 2]" 3
22 1 67 ARG N 1 74 HIS O . . 3.300 3.415 3.390 3.440 0.140 17 0 "[ . 1 . 2]" 3
23 1 52 GLY H 1 88 ASN O . . 3.400 2.272 1.875 2.683 . 0 0 "[ . 1 . 2]" 3
24 1 52 GLY N 1 88 ASN O . . 3.300 3.068 2.734 3.329 0.029 1 0 "[ . 1 . 2]" 3
25 1 52 GLY O 1 88 ASN H . . 3.400 2.184 1.981 2.271 . 0 0 "[ . 1 . 2]" 3
26 1 52 GLY O 1 88 ASN N . . 3.700 2.735 2.717 2.872 . 0 0 "[ . 1 . 2]" 3
27 1 54 ARG O 1 86 VAL H . . 3.400 2.441 2.378 2.504 . 0 0 "[ . 1 . 2]" 3
28 1 54 ARG O 1 86 VAL N . . 3.300 3.299 3.237 3.364 0.064 2 0 "[ . 1 . 2]" 3
29 1 54 ARG H 1 86 VAL O . . 3.400 1.968 1.871 2.020 . 0 0 "[ . 1 . 2]" 3
30 1 54 ARG N 1 86 VAL O . . 3.300 2.737 2.708 2.759 . 0 0 "[ . 1 . 2]" 3
31 1 56 ARG O 1 84 VAL H . . 2.400 2.427 2.297 2.522 0.122 2 0 "[ . 1 . 2]" 3
32 1 56 ARG O 1 84 VAL N . . 3.300 3.251 3.111 3.342 0.042 2 0 "[ . 1 . 2]" 3
33 1 56 ARG H 1 84 VAL O . . 2.400 2.107 2.038 2.249 . 0 0 "[ . 1 . 2]" 3
34 1 56 ARG N 1 84 VAL O . . 3.300 2.866 2.817 2.966 . 0 0 "[ . 1 . 2]" 3
35 1 20 THR O 1 85 TYR H . . 2.600 2.025 1.962 2.126 . 0 0 "[ . 1 . 2]" 3
36 1 20 THR O 1 85 TYR N . . 3.500 2.959 2.891 3.098 . 0 0 "[ . 1 . 2]" 3
37 1 20 THR H 1 83 LEU O . . 3.900 3.113 2.978 3.310 . 0 0 "[ . 1 . 2]" 3
38 1 20 THR N 1 83 LEU O . . 3.900 3.895 3.822 3.940 0.040 15 0 "[ . 1 . 2]" 3
39 1 18 ARG O 1 83 LEU H . . 3.900 3.511 3.463 3.692 . 0 0 "[ . 1 . 2]" 3
40 1 18 ARG O 1 83 LEU N . . 3.900 3.763 3.679 3.934 0.034 1 0 "[ . 1 . 2]" 3
41 1 18 ARG H 1 81 GLY O . . 4.100 2.712 2.533 2.873 . 0 0 "[ . 1 . 2]" 3
42 1 18 ARG N 1 81 GLY O . . 4.100 3.419 3.272 3.619 . 0 0 "[ . 1 . 2]" 3
43 1 40 LEU H 1 41 SER H . . 2.900 2.837 2.810 2.876 . 0 0 "[ . 1 . 2]" 3
44 1 41 SER H 1 42 THR H . . 2.900 2.767 2.729 2.792 . 0 0 "[ . 1 . 2]" 3
45 1 21 GLU H 1 22 ASP H . . 2.600 2.578 2.418 2.624 0.024 4 0 "[ . 1 . 2]" 3
46 1 23 GLU H 1 24 ASN H . . 2.600 2.571 2.284 2.651 0.051 6 0 "[ . 1 . 2]" 3
47 1 24 ASN H 1 25 ASP H . . 2.600 2.448 2.286 2.505 . 0 0 "[ . 1 . 2]" 3
48 1 34 ASP H 1 35 ASP H . . 2.600 2.570 2.487 2.631 0.031 16 0 "[ . 1 . 2]" 3
49 1 35 ASP H 1 36 GLY H . . 2.600 2.615 2.606 2.625 0.025 4 0 "[ . 1 . 2]" 3
stop_
save_
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