NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
424907 |
2ga7   |
7068 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ga7
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 924
_Distance_constraint_stats_list.Viol_count 4676
_Distance_constraint_stats_list.Viol_total 7833.313
_Distance_constraint_stats_list.Viol_max 0.560
_Distance_constraint_stats_list.Viol_rms 0.0285
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0094
_Distance_constraint_stats_list.Viol_average_violations_only 0.0558
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ASP 3.978 0.107 7 0 "[ . 1 . 2 . 3]"
1 3 SER 2.462 0.114 10 0 "[ . 1 . 2 . 3]"
1 4 THR 1.822 0.114 10 0 "[ . 1 . 2 . 3]"
1 5 ALA 3.182 0.103 24 0 "[ . 1 . 2 . 3]"
1 6 THR 2.891 0.191 4 0 "[ . 1 . 2 . 3]"
1 7 PHE 23.560 0.191 4 0 "[ . 1 . 2 . 3]"
1 8 ILE 12.139 0.165 3 0 "[ . 1 . 2 . 3]"
1 9 ILE 10.112 0.217 23 0 "[ . 1 . 2 . 3]"
1 10 ASP 15.585 0.236 20 0 "[ . 1 . 2 . 3]"
1 11 GLY 4.234 0.231 5 0 "[ . 1 . 2 . 3]"
1 12 MET 1.803 0.119 16 0 "[ . 1 . 2 . 3]"
1 15 LYS 9.197 0.292 5 0 "[ . 1 . 2 . 3]"
1 16 SER 0.560 0.091 24 0 "[ . 1 . 2 . 3]"
1 17 CYS 6.931 0.230 11 0 "[ . 1 . 2 . 3]"
1 18 VAL 14.052 0.230 11 0 "[ . 1 . 2 . 3]"
1 19 SER 4.021 0.166 11 0 "[ . 1 . 2 . 3]"
1 20 ASN 7.828 0.273 2 0 "[ . 1 . 2 . 3]"
1 21 ILE 9.573 0.210 9 0 "[ . 1 . 2 . 3]"
1 22 GLU 10.044 0.347 30 0 "[ . 1 . 2 . 3]"
1 23 SER 4.016 0.347 30 0 "[ . 1 . 2 . 3]"
1 24 THR 4.221 0.174 14 0 "[ . 1 . 2 . 3]"
1 25 LEU 7.198 0.416 15 0 "[ . 1 . 2 . 3]"
1 26 SER 5.997 0.282 26 0 "[ . 1 . 2 . 3]"
1 27 ALA 3.203 0.169 15 0 "[ . 1 . 2 . 3]"
1 28 LEU 6.501 0.309 29 0 "[ . 1 . 2 . 3]"
1 30 TYR 3.578 0.193 9 0 "[ . 1 . 2 . 3]"
1 31 VAL 7.525 0.309 29 0 "[ . 1 . 2 . 3]"
1 32 SER 5.917 0.220 19 0 "[ . 1 . 2 . 3]"
1 33 SER 8.328 0.220 19 0 "[ . 1 . 2 . 3]"
1 34 ILE 15.116 0.416 15 0 "[ . 1 . 2 . 3]"
1 35 VAL 17.657 0.322 9 0 "[ . 1 . 2 . 3]"
1 36 VAL 18.072 0.224 30 0 "[ . 1 . 2 . 3]"
1 37 SER 3.170 0.224 30 0 "[ . 1 . 2 . 3]"
1 38 LEU 7.694 0.152 6 0 "[ . 1 . 2 . 3]"
1 39 GLU 7.332 0.152 6 0 "[ . 1 . 2 . 3]"
1 40 ASN 7.091 0.210 29 0 "[ . 1 . 2 . 3]"
1 41 ARG 6.310 0.165 7 0 "[ . 1 . 2 . 3]"
1 42 SER 3.596 0.147 30 0 "[ . 1 . 2 . 3]"
1 43 ALA 7.876 0.147 9 0 "[ . 1 . 2 . 3]"
1 44 ILE 1.877 0.322 9 0 "[ . 1 . 2 . 3]"
1 45 VAL 8.417 0.221 9 0 "[ . 1 . 2 . 3]"
1 46 VAL 4.687 0.107 7 0 "[ . 1 . 2 . 3]"
1 47 TYR 5.047 0.123 10 0 "[ . 1 . 2 . 3]"
1 48 ASN 3.512 0.128 28 0 "[ . 1 . 2 . 3]"
1 49 ALA 0.913 0.095 1 0 "[ . 1 . 2 . 3]"
1 50 SER 1.973 0.134 27 0 "[ . 1 . 2 . 3]"
1 52 VAL 0.281 0.034 16 0 "[ . 1 . 2 . 3]"
1 53 THR 3.755 0.118 16 0 "[ . 1 . 2 . 3]"
1 54 PRO 2.925 0.080 14 0 "[ . 1 . 2 . 3]"
1 55 GLU 4.546 0.162 23 0 "[ . 1 . 2 . 3]"
1 56 SER 5.459 0.184 19 0 "[ . 1 . 2 . 3]"
1 57 LEU 8.637 0.193 9 0 "[ . 1 . 2 . 3]"
1 58 ARG 7.671 0.184 19 0 "[ . 1 . 2 . 3]"
1 59 LYS 7.057 0.273 6 0 "[ . 1 . 2 . 3]"
1 60 ALA 3.931 0.560 2 1 "[ + . 1 . 2 . 3]"
1 61 ILE 7.883 0.210 9 0 "[ . 1 . 2 . 3]"
1 62 GLU 9.343 0.273 6 0 "[ . 1 . 2 . 3]"
1 63 ALA 6.627 0.224 13 0 "[ . 1 . 2 . 3]"
1 64 VAL 8.948 0.560 2 1 "[ + . 1 . 2 . 3]"
1 65 SER 5.328 0.317 27 0 "[ . 1 . 2 . 3]"
1 66 PRO 1.758 0.134 24 0 "[ . 1 . 2 . 3]"
1 67 GLY 0.377 0.134 24 0 "[ . 1 . 2 . 3]"
1 68 LEU 4.458 0.180 12 0 "[ . 1 . 2 . 3]"
1 69 TYR 6.950 0.217 12 0 "[ . 1 . 2 . 3]"
1 70 ARG 11.236 0.236 20 0 "[ . 1 . 2 . 3]"
1 71 VAL 17.201 0.251 28 0 "[ . 1 . 2 . 3]"
1 72 SER 7.009 0.251 28 0 "[ . 1 . 2 . 3]"
1 73 ILE 15.393 0.166 19 0 "[ . 1 . 2 . 3]"
1 74 THR 3.302 0.123 16 0 "[ . 1 . 2 . 3]"
1 75 SER 2.143 0.209 26 0 "[ . 1 . 2 . 3]"
1 76 GLU 2.114 0.209 26 0 "[ . 1 . 2 . 3]"
1 77 VAL 4.327 0.328 5 0 "[ . 1 . 2 . 3]"
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 2 ASP H 1 2 ASP HB3 . . 3.580 3.496 2.706 3.677 0.097 28 0 "[ . 1 . 2 . 3]" 1
2 1 2 ASP HA 1 3 SER H . . 2.700 2.401 2.093 2.742 0.042 11 0 "[ . 1 . 2 . 3]" 1
3 1 2 ASP HA 1 3 SER HB2 . . 4.330 4.281 4.015 4.425 0.095 16 0 "[ . 1 . 2 . 3]" 1
4 1 2 ASP HB2 1 3 SER H . . 3.920 3.278 1.792 3.836 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 2 ASP HB2 1 46 VAL MG1 . . 3.480 2.204 2.045 2.678 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 2 ASP HB2 1 46 VAL MG2 . . 3.800 3.810 3.388 3.907 0.107 7 0 "[ . 1 . 2 . 3]" 1
7 1 2 ASP HB2 1 47 TYR H . . 4.610 4.323 2.819 4.662 0.052 30 0 "[ . 1 . 2 . 3]" 1
8 1 2 ASP HB3 1 3 SER H . . 4.690 2.561 1.866 3.603 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 2 ASP HB3 1 46 VAL MG1 . . 3.680 2.160 1.967 2.528 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 2 ASP HB3 1 46 VAL MG2 . . 4.130 4.162 4.099 4.200 0.070 11 0 "[ . 1 . 2 . 3]" 1
11 1 3 SER H 1 3 SER HB2 . . 3.830 2.673 2.274 3.176 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 3 SER H 1 3 SER HB3 . . 4.010 3.117 2.558 3.949 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 3 SER H 1 47 TYR H . . 3.710 2.907 2.466 3.261 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 3 SER HA 1 4 THR H . . 3.290 2.339 2.081 2.687 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 3 SER HB2 1 4 THR H . . 4.460 4.126 3.623 4.496 0.036 1 0 "[ . 1 . 2 . 3]" 1
16 1 3 SER HB2 1 47 TYR QD . . 5.160 4.911 3.606 5.228 0.068 25 0 "[ . 1 . 2 . 3]" 1
17 1 3 SER HB2 1 49 ALA MB . . 3.690 2.572 1.917 3.538 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 3 SER HB3 1 4 THR H . . 3.580 3.394 2.804 3.694 0.114 10 0 "[ . 1 . 2 . 3]" 1
19 1 3 SER HB3 1 47 TYR QE . . 4.210 3.670 2.487 4.252 0.042 6 0 "[ . 1 . 2 . 3]" 1
20 1 3 SER HB3 1 49 ALA MB . . 4.020 2.557 2.022 3.698 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 4 THR H 1 4 THR HB . . 3.410 2.936 2.406 3.514 0.104 16 0 "[ . 1 . 2 . 3]" 1
22 1 4 THR H 1 4 THR MG . . 4.180 3.690 2.531 4.073 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 4 THR H 1 5 ALA H . . 4.610 4.315 4.048 4.559 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 4 THR HA 1 4 THR MG . . 3.500 2.453 2.137 3.262 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 4 THR HA 1 5 ALA H . . 3.000 2.121 2.019 2.212 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 4 THR HA 1 5 ALA MB . . 4.860 4.052 3.762 4.205 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 4 THR HA 1 44 ILE MG . . 4.980 4.333 3.586 4.735 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 4 THR HA 1 45 VAL H . . 4.500 4.282 3.595 4.517 0.017 18 0 "[ . 1 . 2 . 3]" 1
29 1 4 THR HA 1 46 VAL HA . . 3.370 2.712 2.331 3.429 0.059 25 0 "[ . 1 . 2 . 3]" 1
30 1 4 THR HA 1 46 VAL MG2 . . 5.140 3.559 2.824 4.461 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 4 THR HA 1 47 TYR H . . 4.300 3.699 3.241 4.246 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 4 THR HA 1 47 TYR QD . . 4.130 3.582 3.123 4.177 0.047 8 0 "[ . 1 . 2 . 3]" 1
33 1 4 THR HA 1 47 TYR QE . . 4.310 3.443 2.461 4.280 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 4 THR HB 1 5 ALA H . . 4.440 3.988 2.684 4.503 0.063 8 0 "[ . 1 . 2 . 3]" 1
35 1 4 THR MG 1 5 ALA H . . 3.800 2.877 2.243 3.706 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 4 THR MG 1 5 ALA HA . . 4.930 3.920 3.355 5.033 0.103 24 0 "[ . 1 . 2 . 3]" 1
37 1 4 THR MG 1 44 ILE MG . . 2.680 2.436 2.017 2.723 0.043 16 0 "[ . 1 . 2 . 3]" 1
38 1 4 THR MG 1 45 VAL H . . 4.080 3.524 2.939 4.129 0.049 12 0 "[ . 1 . 2 . 3]" 1
39 1 5 ALA H 1 44 ILE HA . . 4.780 4.631 4.147 4.864 0.084 8 0 "[ . 1 . 2 . 3]" 1
40 1 5 ALA H 1 44 ILE MG . . 5.170 3.766 3.235 4.400 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 5 ALA H 1 45 VAL H . . 3.900 3.047 2.768 3.310 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 5 ALA H 1 45 VAL HB . . 4.490 3.743 3.225 4.064 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 5 ALA H 1 47 TYR QD . . 4.390 3.506 3.007 4.122 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 5 ALA H 1 47 TYR QE . . 4.070 2.675 2.103 3.039 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 5 ALA HA 1 6 THR H . . 3.030 2.207 2.078 2.834 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 5 ALA HA 1 6 THR HB . . 4.460 4.462 4.328 4.509 0.049 7 0 "[ . 1 . 2 . 3]" 1
47 1 5 ALA MB 1 6 THR H . . 3.660 2.509 1.835 2.736 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 5 ALA MB 1 6 THR HB . . 4.850 4.746 4.293 4.894 0.044 16 0 "[ . 1 . 2 . 3]" 1
49 1 5 ALA MB 1 7 PHE QD . . 3.300 3.361 3.329 3.402 0.102 27 0 "[ . 1 . 2 . 3]" 1
50 1 5 ALA MB 1 7 PHE QE . . 3.650 2.086 1.988 2.211 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 5 ALA MB 1 45 VAL H . . 5.100 3.922 3.550 4.461 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 5 ALA MB 1 45 VAL HB . . 4.290 3.422 2.735 4.094 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 5 ALA MB 1 47 TYR QD . . 4.290 3.642 3.135 4.302 0.012 30 0 "[ . 1 . 2 . 3]" 1
54 1 5 ALA MB 1 47 TYR QE . . 3.400 2.095 1.964 2.385 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 5 ALA MB 1 54 PRO HB2 . . 3.610 3.367 2.241 3.650 0.040 6 0 "[ . 1 . 2 . 3]" 1
56 1 5 ALA MB 1 54 PRO HB3 . . 4.640 3.494 2.666 4.531 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 5 ALA MB 1 54 PRO HG3 . . 5.270 4.680 3.853 5.310 0.040 28 0 "[ . 1 . 2 . 3]" 1
58 1 6 THR H 1 6 THR HB . . 3.500 2.661 2.508 3.197 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 6 THR H 1 6 THR MG . . 4.150 3.707 2.437 3.899 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 6 THR H 1 7 PHE H . . 4.460 4.270 3.942 4.385 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 6 THR H 1 7 PHE QD . . 4.750 4.355 4.092 4.696 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 6 THR H 1 73 ILE MG . . 4.840 4.214 3.383 4.815 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 6 THR H 1 74 THR H . . 5.500 3.496 3.083 4.157 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 6 THR HA 1 6 THR MG . . 3.440 2.479 2.309 3.218 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 6 THR HA 1 7 PHE H . . 3.120 2.123 2.061 2.210 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 6 THR HA 1 7 PHE QD . . 4.220 3.176 2.722 3.797 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 6 THR HA 1 43 ALA H . . 4.530 4.444 3.865 4.602 0.072 4 0 "[ . 1 . 2 . 3]" 1
68 1 6 THR HA 1 44 ILE HA . . 3.830 2.542 2.166 3.765 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 6 THR HA 1 44 ILE MG . . 4.560 3.502 3.094 4.583 0.023 25 0 "[ . 1 . 2 . 3]" 1
70 1 6 THR HB 1 7 PHE H . . 4.480 4.172 3.977 4.461 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 6 THR HB 1 8 ILE MD . . 4.600 4.192 2.993 4.596 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 6 THR MG 1 7 PHE H . . 3.850 2.713 2.395 3.421 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 6 THR MG 1 7 PHE HA . . 4.470 3.508 3.235 3.739 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 6 THR MG 1 7 PHE HB3 . . 5.070 5.125 5.078 5.261 0.191 4 0 "[ . 1 . 2 . 3]" 1
75 1 6 THR MG 1 7 PHE QD . . 5.190 4.502 4.190 4.924 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 6 THR MG 1 8 ILE HB . . 4.380 4.283 4.023 4.532 0.152 27 0 "[ . 1 . 2 . 3]" 1
77 1 6 THR MG 1 8 ILE HG12 . . 4.070 2.561 2.112 4.081 0.011 27 0 "[ . 1 . 2 . 3]" 1
78 1 7 PHE H 1 7 PHE HB2 . . 3.780 2.806 2.574 3.142 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 7 PHE H 1 7 PHE HB3 . . 3.750 3.752 3.675 3.838 0.088 25 0 "[ . 1 . 2 . 3]" 1
80 1 7 PHE H 1 7 PHE QD . . 3.580 2.501 2.260 2.793 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 7 PHE H 1 7 PHE QE . . 4.640 4.634 4.419 4.701 0.061 5 0 "[ . 1 . 2 . 3]" 1
82 1 7 PHE H 1 43 ALA H . . 4.090 3.008 2.356 3.325 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 7 PHE H 1 43 ALA MB . . 4.720 3.218 2.593 3.600 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 7 PHE HA 1 7 PHE QD . . 3.900 3.396 3.286 3.570 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 7 PHE HA 1 8 ILE H . . 3.110 2.149 2.086 2.224 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 7 PHE HA 1 8 ILE HB . . 4.700 4.480 4.131 4.657 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 7 PHE HA 1 73 ILE HA . . 3.590 2.510 2.260 2.775 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 7 PHE HA 1 73 ILE HG12 . . 4.540 4.543 4.384 4.630 0.090 12 0 "[ . 1 . 2 . 3]" 1
89 1 7 PHE HA 1 73 ILE MG . . 5.090 3.743 3.216 4.229 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 7 PHE HA 1 74 THR H . . 4.030 3.759 3.355 4.074 0.044 20 0 "[ . 1 . 2 . 3]" 1
91 1 7 PHE HB2 1 8 ILE H . . 4.060 4.144 4.095 4.193 0.133 27 0 "[ . 1 . 2 . 3]" 1
92 1 7 PHE HB2 1 9 ILE MD . . 4.930 3.312 2.703 3.517 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 7 PHE HB2 1 43 ALA MB . . 4.360 2.308 2.080 2.523 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 7 PHE HB2 1 61 ILE MD . . 5.000 3.280 2.905 3.771 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 7 PHE HB2 1 71 VAL MG1 . . 5.000 4.405 3.177 4.694 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 7 PHE HB2 1 73 ILE MD . . 4.470 3.987 3.281 4.636 0.166 19 0 "[ . 1 . 2 . 3]" 1
97 1 7 PHE HB3 1 9 ILE MD . . 4.930 3.997 3.249 4.316 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 7 PHE HB3 1 43 ALA H . . 4.860 4.916 4.745 4.998 0.138 26 0 "[ . 1 . 2 . 3]" 1
99 1 7 PHE HB3 1 43 ALA MB . . 3.950 3.757 3.534 4.004 0.054 4 0 "[ . 1 . 2 . 3]" 1
100 1 7 PHE HB3 1 61 ILE MD . . 4.850 3.622 2.920 4.261 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 7 PHE HB3 1 71 VAL MG1 . . 4.120 3.333 2.182 3.689 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 7 PHE QD 1 9 ILE MD . . 4.950 4.869 4.400 5.025 0.075 27 0 "[ . 1 . 2 . 3]" 1
103 1 7 PHE QD 1 43 ALA MB . . 3.630 3.420 2.078 3.659 0.029 27 0 "[ . 1 . 2 . 3]" 1
104 1 7 PHE QD 1 45 VAL HB . . 4.330 4.382 4.290 4.469 0.139 30 0 "[ . 1 . 2 . 3]" 1
105 1 7 PHE QD 1 45 VAL MG2 . . 3.450 3.129 2.463 3.477 0.027 30 0 "[ . 1 . 2 . 3]" 1
106 1 7 PHE QD 1 57 LEU HB3 . . 4.390 4.291 4.001 4.438 0.048 25 0 "[ . 1 . 2 . 3]" 1
107 1 7 PHE QD 1 57 LEU MD2 . . 4.080 4.048 3.780 4.158 0.078 10 0 "[ . 1 . 2 . 3]" 1
108 1 7 PHE QD 1 58 ARG H . . 4.110 4.087 3.774 4.178 0.068 25 0 "[ . 1 . 2 . 3]" 1
109 1 7 PHE QD 1 58 ARG HA . . 3.770 2.913 2.241 3.379 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 7 PHE QD 1 58 ARG HB2 . . 4.900 2.991 2.495 3.345 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 7 PHE QD 1 58 ARG HB3 . . 4.750 4.515 3.982 4.804 0.054 22 0 "[ . 1 . 2 . 3]" 1
112 1 7 PHE QD 1 58 ARG HG2 . . 4.750 3.993 2.502 4.805 0.055 21 0 "[ . 1 . 2 . 3]" 1
113 1 7 PHE QD 1 58 ARG HG3 . . 4.680 3.013 2.325 4.067 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 7 PHE QD 1 61 ILE HB . . 5.640 4.911 4.422 5.647 0.007 20 0 "[ . 1 . 2 . 3]" 1
115 1 7 PHE QD 1 61 ILE MD . . 4.320 3.417 3.107 3.822 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 7 PHE QD 1 71 VAL MG1 . . 3.410 3.422 2.840 3.512 0.102 30 0 "[ . 1 . 2 . 3]" 1
117 1 7 PHE QD 1 73 ILE HA . . 4.120 4.159 3.957 4.230 0.110 27 0 "[ . 1 . 2 . 3]" 1
118 1 7 PHE QD 1 73 ILE MD . . 3.910 2.108 1.811 2.908 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 7 PHE QD 1 73 ILE HG12 . . 3.790 3.217 2.165 3.918 0.128 7 0 "[ . 1 . 2 . 3]" 1
120 1 7 PHE QD 1 73 ILE HG13 . . 4.150 2.575 2.178 2.975 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 7 PHE QD 1 73 ILE MG . . 4.150 3.458 2.866 3.953 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 7 PHE QE 1 45 VAL H . . 4.610 4.433 3.874 4.646 0.036 23 0 "[ . 1 . 2 . 3]" 1
123 1 7 PHE QE 1 45 VAL HB . . 3.630 3.236 2.839 3.573 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 7 PHE QE 1 45 VAL MG1 . . 4.690 4.401 3.977 4.690 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 7 PHE QE 1 45 VAL MG2 . . 3.650 3.200 2.360 3.674 0.024 27 0 "[ . 1 . 2 . 3]" 1
126 1 7 PHE QE 1 57 LEU HB2 . . 4.620 3.075 2.861 3.849 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 7 PHE QE 1 57 LEU MD1 . . 4.690 4.351 3.326 4.686 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 7 PHE QE 1 57 LEU MD2 . . 4.530 2.487 2.230 3.055 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 7 PHE QE 1 58 ARG H . . 4.110 2.685 2.411 3.175 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 7 PHE QE 1 58 ARG HA . . 4.230 3.483 2.764 3.981 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 7 PHE QE 1 58 ARG HB3 . . 3.830 3.836 3.656 3.897 0.067 11 0 "[ . 1 . 2 . 3]" 1
132 1 7 PHE QE 1 61 ILE MD . . 4.790 4.461 4.056 4.805 0.015 12 0 "[ . 1 . 2 . 3]" 1
133 1 7 PHE QE 1 73 ILE HA . . 4.810 4.905 4.856 4.959 0.149 16 0 "[ . 1 . 2 . 3]" 1
134 1 7 PHE QE 1 73 ILE HB . . 4.900 4.844 4.682 4.944 0.044 2 0 "[ . 1 . 2 . 3]" 1
135 1 7 PHE QE 1 73 ILE HG13 . . 5.000 3.197 2.813 3.800 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 7 PHE QE 1 73 ILE MG . . 4.400 2.852 2.309 3.326 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 8 ILE H 1 8 ILE HB . . 3.470 2.461 2.182 2.598 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 8 ILE H 1 8 ILE MD . . 4.900 3.383 2.532 3.652 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 8 ILE H 1 8 ILE HG12 . . 4.320 3.088 2.794 4.223 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 8 ILE H 1 8 ILE HG13 . . 4.320 4.234 4.132 4.391 0.071 27 0 "[ . 1 . 2 . 3]" 1
141 1 8 ILE H 1 8 ILE MG . . 4.210 3.816 3.648 3.890 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 8 ILE H 1 71 VAL HA . . 4.920 4.328 3.977 4.607 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 8 ILE H 1 72 SER H . . 3.770 2.931 2.694 3.141 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 8 ILE H 1 73 ILE HA . . 4.800 3.545 3.342 3.730 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 8 ILE H 1 74 THR H . . 5.010 4.938 4.570 5.112 0.102 24 0 "[ . 1 . 2 . 3]" 1
146 1 8 ILE HA 1 8 ILE MD . . 3.730 2.091 1.994 2.401 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 8 ILE HA 1 8 ILE MG . . 3.500 2.531 2.399 2.796 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 8 ILE HA 1 9 ILE H . . 2.940 2.034 1.935 2.304 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 8 ILE HA 1 9 ILE HG12 . . 5.000 4.982 4.618 5.092 0.092 30 0 "[ . 1 . 2 . 3]" 1
150 1 8 ILE HA 1 42 SER HA . . 3.390 2.738 2.374 3.146 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 8 ILE HB 1 9 ILE H . . 4.670 4.363 4.072 4.568 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 8 ILE HB 1 71 VAL HA . . 4.730 4.766 4.622 4.871 0.141 4 0 "[ . 1 . 2 . 3]" 1
153 1 8 ILE HB 1 72 SER H . . 4.280 3.160 3.059 3.262 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 8 ILE HB 1 72 SER HB2 . . 4.600 2.741 2.059 4.639 0.039 16 0 "[ . 1 . 2 . 3]" 1
155 1 8 ILE HB 1 72 SER HB3 . . 3.840 3.799 3.500 4.005 0.165 3 0 "[ . 1 . 2 . 3]" 1
156 1 8 ILE MD 1 9 ILE H . . 4.710 3.591 3.399 4.368 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 8 ILE MD 1 41 ARG HB3 . . 5.330 4.859 3.274 5.487 0.157 30 0 "[ . 1 . 2 . 3]" 1
158 1 8 ILE MD 1 42 SER H . . 5.250 4.233 3.850 5.124 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 8 ILE MD 1 42 SER HA . . 4.490 2.181 2.010 2.611 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 8 ILE MD 1 42 SER HB2 . . 4.140 3.400 2.308 3.842 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 8 ILE MD 1 42 SER HB3 . . 4.450 2.534 2.085 4.052 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 8 ILE MD 1 43 ALA MB . . 4.500 4.555 4.427 4.596 0.096 27 0 "[ . 1 . 2 . 3]" 1
163 1 8 ILE HG12 1 8 ILE MG . . 3.550 3.060 2.286 3.230 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 8 ILE HG13 1 9 ILE H . . 5.240 5.165 3.998 5.394 0.154 8 0 "[ . 1 . 2 . 3]" 1
165 1 8 ILE MG 1 9 ILE H . . 3.710 3.005 2.394 3.567 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 8 ILE MG 1 41 ARG HB2 . . 4.500 2.618 2.068 3.097 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 8 ILE MG 1 41 ARG HB3 . . 3.970 3.474 2.238 4.081 0.111 19 0 "[ . 1 . 2 . 3]" 1
168 1 8 ILE MG 1 41 ARG HD2 . . 4.210 3.104 2.151 4.152 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 8 ILE MG 1 41 ARG HD3 . . 4.510 4.118 3.178 4.570 0.060 13 0 "[ . 1 . 2 . 3]" 1
170 1 8 ILE MG 1 42 SER HA . . 4.910 4.166 3.726 4.821 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 8 ILE MG 1 72 SER H . . 3.730 3.659 3.125 3.777 0.047 19 0 "[ . 1 . 2 . 3]" 1
172 1 8 ILE MG 1 72 SER HB3 . . 4.540 4.458 3.915 4.590 0.050 19 0 "[ . 1 . 2 . 3]" 1
173 1 9 ILE H 1 9 ILE HB . . 3.500 2.501 2.378 2.771 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 9 ILE H 1 9 ILE MD . . 4.700 3.581 3.404 4.035 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 9 ILE H 1 9 ILE HG12 . . 4.320 3.845 3.560 4.218 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 9 ILE H 1 41 ARG HB2 . . 4.430 3.100 1.983 4.285 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 9 ILE H 1 42 SER HA . . 4.020 3.542 2.964 4.048 0.028 30 0 "[ . 1 . 2 . 3]" 1
178 1 9 ILE HA 1 9 ILE MD . . 4.760 3.941 3.883 4.005 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 9 ILE HA 1 9 ILE HG12 . . 4.240 2.696 2.533 2.869 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 9 ILE HA 1 10 ASP H . . 3.070 2.155 2.058 2.382 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 9 ILE HA 1 70 ARG H . . 4.900 4.806 4.186 4.934 0.034 24 0 "[ . 1 . 2 . 3]" 1
182 1 9 ILE HA 1 71 VAL HA . . 3.710 2.388 2.159 2.733 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 9 ILE HA 1 71 VAL MG2 . . 4.550 2.746 2.145 4.601 0.051 20 0 "[ . 1 . 2 . 3]" 1
184 1 9 ILE HA 1 72 SER H . . 4.280 3.791 3.608 4.006 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 9 ILE MD 1 9 ILE MG . . 3.370 2.144 2.068 2.222 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 9 ILE MD 1 42 SER HA . . 4.940 4.420 4.030 4.947 0.007 30 0 "[ . 1 . 2 . 3]" 1
187 1 9 ILE MD 1 43 ALA H . . 5.180 3.697 3.106 4.304 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 9 ILE MD 1 43 ALA MB . . 3.470 2.217 1.926 2.946 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 9 ILE MD 1 61 ILE MD . . 4.380 2.685 1.911 3.361 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 9 ILE MD 1 61 ILE MG . . 4.150 3.031 2.134 4.076 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 9 ILE HG12 1 71 VAL HB . . 4.160 2.961 2.299 4.377 0.217 23 0 "[ . 1 . 2 . 3]" 1
192 1 9 ILE HG12 1 71 VAL MG1 . . 3.270 3.054 1.928 3.414 0.144 15 0 "[ . 1 . 2 . 3]" 1
193 1 9 ILE HG13 1 10 ASP H . . 4.910 4.975 4.922 5.069 0.159 22 0 "[ . 1 . 2 . 3]" 1
194 1 9 ILE HG13 1 61 ILE MD . . 5.220 4.352 3.295 5.117 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 9 ILE HG13 1 71 VAL HA . . 5.240 4.268 3.554 4.623 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 9 ILE MG 1 10 ASP H . . 4.150 3.384 2.825 3.913 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 9 ILE MG 1 15 LYS QB . . 4.460 4.309 3.520 4.515 0.055 16 0 "[ . 1 . 2 . 3]" 1
198 1 9 ILE MG 1 15 LYS QG . . 4.630 4.082 3.111 4.704 0.074 27 0 "[ . 1 . 2 . 3]" 1
199 1 9 ILE MG 1 43 ALA MB . . 5.500 4.759 4.354 5.503 0.003 25 0 "[ . 1 . 2 . 3]" 1
200 1 9 ILE MG 1 61 ILE MG . . 4.410 2.688 2.278 3.233 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 9 ILE MG 1 69 TYR HA . . 4.610 3.694 3.053 4.174 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 9 ILE MG 1 69 TYR HB2 . . 4.990 3.656 3.032 4.275 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 9 ILE MG 1 69 TYR HB3 . . 4.210 2.300 2.067 2.828 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 9 ILE MG 1 69 TYR QD . . 4.240 2.810 1.978 3.467 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 9 ILE MG 1 70 ARG H . . 4.780 4.302 3.212 4.798 0.018 28 0 "[ . 1 . 2 . 3]" 1
206 1 9 ILE MG 1 71 VAL HA . . 5.130 4.032 3.639 4.330 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 9 ILE MG 1 71 VAL MG1 . . 4.010 3.790 2.567 4.054 0.044 27 0 "[ . 1 . 2 . 3]" 1
208 1 9 ILE MG 1 71 VAL MG2 . . 5.460 3.458 2.589 4.447 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 10 ASP H 1 10 ASP HB2 . . 3.570 2.369 2.143 2.598 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 10 ASP H 1 10 ASP HB3 . . 3.460 3.497 3.379 3.594 0.134 11 0 "[ . 1 . 2 . 3]" 1
211 1 10 ASP H 1 70 ARG H . . 4.050 3.670 2.999 4.054 0.004 19 0 "[ . 1 . 2 . 3]" 1
212 1 10 ASP H 1 70 ARG HB3 . . 4.450 4.070 3.050 4.467 0.017 26 0 "[ . 1 . 2 . 3]" 1
213 1 10 ASP H 1 71 VAL HA . . 4.180 2.976 2.540 3.699 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 10 ASP H 1 71 VAL MG1 . . 4.920 4.962 4.368 5.108 0.188 6 0 "[ . 1 . 2 . 3]" 1
215 1 10 ASP HA 1 11 GLY H . . 3.110 2.452 2.021 3.214 0.104 24 0 "[ . 1 . 2 . 3]" 1
216 1 10 ASP HA 1 41 ARG HD2 . . 4.660 3.720 2.545 4.716 0.056 17 0 "[ . 1 . 2 . 3]" 1
217 1 10 ASP HA 1 41 ARG HD3 . . 4.910 3.526 1.977 4.980 0.070 13 0 "[ . 1 . 2 . 3]" 1
218 1 10 ASP HB2 1 11 GLY H . . 4.380 4.423 3.665 4.611 0.231 5 0 "[ . 1 . 2 . 3]" 1
219 1 10 ASP HB2 1 70 ARG H . . 4.290 4.111 3.572 4.374 0.084 23 0 "[ . 1 . 2 . 3]" 1
220 1 10 ASP HB2 1 70 ARG HB2 . . 4.350 2.290 2.013 4.110 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 10 ASP HB2 1 70 ARG HB3 . . 3.060 2.989 2.308 3.151 0.091 27 0 "[ . 1 . 2 . 3]" 1
222 1 10 ASP HB2 1 70 ARG HD3 . . 3.250 3.339 3.195 3.486 0.236 20 0 "[ . 1 . 2 . 3]" 1
223 1 10 ASP HB3 1 11 GLY H . . 4.980 4.098 2.796 4.425 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 10 ASP HB3 1 70 ARG H . . 4.840 4.075 3.347 4.878 0.038 19 0 "[ . 1 . 2 . 3]" 1
225 1 10 ASP HB3 1 70 ARG HB2 . . 4.060 2.503 2.123 3.711 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 10 ASP HB3 1 70 ARG HB3 . . 3.550 3.538 2.292 3.672 0.122 15 0 "[ . 1 . 2 . 3]" 1
227 1 11 GLY H 1 69 TYR HB3 . . 5.370 4.633 3.655 5.529 0.159 27 0 "[ . 1 . 2 . 3]" 1
228 1 11 GLY HA3 1 69 TYR HA . . 4.210 2.807 1.950 4.017 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 11 GLY HA3 1 69 TYR QD . . 3.900 2.592 1.992 3.521 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 12 MET H 1 12 MET HB2 . . 4.110 2.679 2.027 4.019 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 12 MET HB2 1 17 CYS HB3 . . 4.730 4.741 4.335 4.849 0.119 16 0 "[ . 1 . 2 . 3]" 1
232 1 12 MET HB2 1 69 TYR QD . . 5.000 4.783 3.887 5.098 0.098 24 0 "[ . 1 . 2 . 3]" 1
233 1 12 MET HB2 1 69 TYR QE . . 5.000 3.222 2.414 4.078 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 15 LYS HA 1 15 LYS HD3 . . 4.020 3.714 2.583 4.312 0.292 5 0 "[ . 1 . 2 . 3]" 1
235 1 15 LYS HA 1 17 CYS H . . 4.730 3.400 2.932 3.795 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 15 LYS QB 1 15 LYS HD3 . . 3.700 2.784 2.120 3.545 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 15 LYS QB 1 40 ASN H . . 4.290 4.380 3.964 4.500 0.210 29 0 "[ . 1 . 2 . 3]" 1
238 1 15 LYS QB 1 41 ARG HA . . 3.140 2.682 2.036 3.256 0.116 5 0 "[ . 1 . 2 . 3]" 1
239 1 15 LYS QB 1 41 ARG HD3 . . 4.860 4.852 3.964 5.025 0.165 7 0 "[ . 1 . 2 . 3]" 1
240 1 15 LYS QB 1 42 SER H . . 4.430 4.390 4.103 4.567 0.137 7 0 "[ . 1 . 2 . 3]" 1
241 1 15 LYS QE 1 15 LYS QG . . 3.430 2.336 2.041 2.905 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 15 LYS QE 1 40 ASN HA . . 4.740 3.968 1.912 4.865 0.125 2 0 "[ . 1 . 2 . 3]" 1
243 1 16 SER H 1 16 SER HB3 . . 3.850 2.994 2.343 3.585 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 16 SER H 1 17 CYS H . . 3.770 2.939 2.740 3.123 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 16 SER H 1 18 VAL MG1 . . 5.040 4.857 4.412 5.094 0.054 21 0 "[ . 1 . 2 . 3]" 1
246 1 16 SER HA 1 19 SER H . . 4.700 4.021 3.405 4.629 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 16 SER HA 1 20 ASN H . . 6.100 5.866 4.948 6.191 0.091 24 0 "[ . 1 . 2 . 3]" 1
248 1 16 SER HB3 1 17 CYS H . . 4.590 3.740 2.464 4.365 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 17 CYS H 1 17 CYS HB2 . . 3.920 2.416 2.177 2.876 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 17 CYS H 1 18 VAL H . . 4.160 2.872 2.612 3.123 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 17 CYS H 1 18 VAL MG1 . . 5.140 4.626 3.915 4.858 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 17 CYS HA 1 20 ASN HB2 . . 4.390 4.363 4.014 4.478 0.088 25 0 "[ . 1 . 2 . 3]" 1
253 1 17 CYS HA 1 20 ASN HD21 . . 4.510 3.111 2.360 4.400 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 17 CYS HA 1 20 ASN HD22 . . 4.620 4.105 1.977 4.704 0.084 28 0 "[ . 1 . 2 . 3]" 1
255 1 17 CYS HA 1 21 ILE H . . 6.000 4.693 4.187 5.189 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 17 CYS HB2 1 18 VAL H . . 4.380 2.481 2.343 2.731 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 17 CYS HB2 1 18 VAL MG1 . . 5.130 3.929 3.119 4.479 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 17 CYS HB2 1 18 VAL MG2 . . 4.180 4.330 4.289 4.410 0.230 11 0 "[ . 1 . 2 . 3]" 1
259 1 18 VAL H 1 18 VAL HB . . 3.840 3.609 2.082 3.721 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 18 VAL H 1 18 VAL MG1 . . 3.820 2.560 2.137 2.746 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 18 VAL H 1 19 SER H . . 4.400 3.134 2.703 3.456 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 18 VAL HA 1 18 VAL MG1 . . 3.570 2.461 2.192 3.257 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 18 VAL HA 1 18 VAL MG2 . . 3.260 3.238 2.248 3.300 0.040 6 0 "[ . 1 . 2 . 3]" 1
264 1 18 VAL HA 1 20 ASN H . . 4.470 4.519 4.315 4.572 0.102 23 0 "[ . 1 . 2 . 3]" 1
265 1 18 VAL HA 1 21 ILE H . . 5.700 3.706 3.230 4.283 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 18 VAL HA 1 21 ILE HB . . 4.700 2.891 2.223 3.858 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 18 VAL HA 1 21 ILE MD . . 4.610 3.046 2.104 4.766 0.156 2 0 "[ . 1 . 2 . 3]" 1
268 1 18 VAL HA 1 36 VAL MG2 . . 3.950 3.500 2.654 4.068 0.118 22 0 "[ . 1 . 2 . 3]" 1
269 1 18 VAL HB 1 19 SER H . . 3.770 3.392 2.873 3.812 0.042 17 0 "[ . 1 . 2 . 3]" 1
270 1 18 VAL MG1 1 19 SER H . . 4.740 3.989 2.354 4.187 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 18 VAL MG1 1 36 VAL HB . . 4.570 4.261 3.056 4.777 0.207 29 0 "[ . 1 . 2 . 3]" 1
272 1 18 VAL MG1 1 37 SER HA . . 4.760 4.543 4.051 4.861 0.101 2 0 "[ . 1 . 2 . 3]" 1
273 1 18 VAL MG1 1 38 LEU H . . 4.250 4.031 2.923 4.324 0.074 4 0 "[ . 1 . 2 . 3]" 1
274 1 18 VAL MG1 1 38 LEU HB2 . . 4.130 3.398 3.148 3.732 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 18 VAL MG1 1 38 LEU HB3 . . 3.640 3.670 3.033 3.755 0.115 6 0 "[ . 1 . 2 . 3]" 1
276 1 18 VAL MG1 1 38 LEU MD1 . . 4.300 4.375 4.200 4.436 0.136 15 0 "[ . 1 . 2 . 3]" 1
277 1 18 VAL MG2 1 38 LEU HA . . 3.760 2.229 1.991 3.853 0.093 17 0 "[ . 1 . 2 . 3]" 1
278 1 19 SER H 1 19 SER QB . . 3.180 2.363 2.128 2.718 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 19 SER H 1 20 ASN H . . 4.100 2.555 2.430 2.701 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 19 SER H 1 36 VAL MG1 . . 4.750 4.071 3.403 4.836 0.086 13 0 "[ . 1 . 2 . 3]" 1
281 1 19 SER HA 1 22 GLU H . . 4.590 2.839 2.358 3.407 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 19 SER HA 1 22 GLU HB2 . . 3.980 3.915 3.311 4.146 0.166 11 0 "[ . 1 . 2 . 3]" 1
283 1 19 SER HA 1 23 SER H . . 5.230 3.794 3.506 4.422 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 19 SER HA 1 36 VAL HB . . 4.590 4.538 3.527 4.737 0.147 2 0 "[ . 1 . 2 . 3]" 1
285 1 19 SER HA 1 36 VAL MG1 . . 5.360 3.166 2.609 3.808 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 19 SER QB 1 20 ASN H . . 3.660 3.174 2.605 3.707 0.047 24 0 "[ . 1 . 2 . 3]" 1
287 1 19 SER QB 1 36 VAL MG1 . . 4.200 3.765 2.906 4.364 0.164 2 0 "[ . 1 . 2 . 3]" 1
288 1 20 ASN H 1 20 ASN HB2 . . 3.510 3.070 2.784 3.467 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 20 ASN H 1 20 ASN HB3 . . 4.040 2.369 1.914 3.742 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 20 ASN H 1 21 ILE H . . 3.630 2.568 2.398 2.744 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 20 ASN HA 1 23 SER H . . 4.630 4.242 3.768 4.728 0.098 16 0 "[ . 1 . 2 . 3]" 1
292 1 20 ASN HB2 1 21 ILE H . . 4.020 3.756 2.301 4.129 0.109 30 0 "[ . 1 . 2 . 3]" 1
293 1 20 ASN HB2 1 64 VAL MG2 . . 4.400 4.249 2.359 4.673 0.273 2 0 "[ . 1 . 2 . 3]" 1
294 1 20 ASN HB3 1 21 ILE H . . 4.300 3.127 2.768 3.981 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 20 ASN HB3 1 21 ILE HA . . 5.240 5.136 4.261 5.330 0.090 19 0 "[ . 1 . 2 . 3]" 1
296 1 20 ASN HB3 1 64 VAL MG2 . . 4.510 4.382 3.159 4.571 0.061 12 0 "[ . 1 . 2 . 3]" 1
297 1 20 ASN HD21 1 21 ILE H . . 4.800 3.195 2.418 4.700 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 20 ASN HD21 1 64 VAL MG2 . . 4.940 3.017 1.750 3.517 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 20 ASN HD22 1 21 ILE MD . . 4.770 3.480 2.206 4.838 0.068 11 0 "[ . 1 . 2 . 3]" 1
300 1 20 ASN HD22 1 21 ILE QG . . 5.080 3.228 2.202 5.120 0.040 9 0 "[ . 1 . 2 . 3]" 1
301 1 20 ASN HD22 1 64 VAL HB . . 3.690 3.351 1.975 3.800 0.110 26 0 "[ . 1 . 2 . 3]" 1
302 1 20 ASN HD22 1 64 VAL MG1 . . 5.130 2.276 1.546 4.478 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 20 ASN HD22 1 64 VAL MG2 . . 4.030 2.073 1.671 4.067 0.037 27 0 "[ . 1 . 2 . 3]" 1
304 1 21 ILE H 1 21 ILE HB . . 3.440 2.466 2.102 2.820 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 21 ILE H 1 21 ILE MD . . 4.550 3.074 2.022 3.367 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 21 ILE H 1 21 ILE QG . . 3.950 2.569 2.031 3.302 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 21 ILE H 1 21 ILE MG . . 4.540 3.729 3.470 3.884 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 21 ILE H 1 22 GLU H . . 3.270 2.764 2.599 3.251 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 21 ILE H 1 36 VAL MG2 . . 5.300 4.926 4.595 5.286 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 21 ILE H 1 64 VAL MG1 . . 4.780 4.267 3.556 4.570 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 21 ILE H 1 64 VAL MG2 . . 5.190 5.037 3.977 5.247 0.057 24 0 "[ . 1 . 2 . 3]" 1
312 1 21 ILE HA 1 21 ILE MD . . 4.790 3.575 1.882 3.996 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 21 ILE HA 1 21 ILE QG . . 3.180 2.482 2.081 3.098 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 21 ILE HA 1 21 ILE MG . . 3.630 2.523 2.228 2.904 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 21 ILE HA 1 24 THR H . . 4.790 3.581 3.153 4.084 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 21 ILE HA 1 24 THR HB . . 4.640 3.647 2.506 4.671 0.031 14 0 "[ . 1 . 2 . 3]" 1
317 1 21 ILE HB 1 21 ILE MD . . 3.300 2.358 2.118 3.215 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 21 ILE HB 1 22 GLU H . . 3.630 2.952 2.220 3.375 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 21 ILE HB 1 61 ILE HA . . 4.440 4.442 4.095 4.650 0.210 9 0 "[ . 1 . 2 . 3]" 1
320 1 21 ILE HB 1 61 ILE MD . . 3.840 3.942 3.847 4.027 0.187 11 0 "[ . 1 . 2 . 3]" 1
321 1 21 ILE HB 1 64 VAL MG1 . . 5.000 4.505 3.974 5.032 0.032 15 0 "[ . 1 . 2 . 3]" 1
322 1 21 ILE MD 1 21 ILE MG . . 3.400 2.360 2.091 3.184 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 21 ILE MD 1 64 VAL MG1 . . 4.780 2.460 1.785 3.458 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 21 ILE MD 1 64 VAL MG2 . . 5.240 3.759 1.889 4.804 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 21 ILE QG 1 61 ILE H . . 4.470 4.060 3.154 4.543 0.073 14 0 "[ . 1 . 2 . 3]" 1
326 1 21 ILE QG 1 61 ILE HA . . 3.920 2.141 1.943 2.378 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 21 ILE QG 1 64 VAL MG1 . . 2.910 2.259 1.931 3.043 0.133 2 0 "[ . 1 . 2 . 3]" 1
328 1 21 ILE MG 1 22 GLU H . . 4.260 3.297 2.489 3.903 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 21 ILE MG 1 25 LEU H . . 4.130 3.829 3.338 4.191 0.061 29 0 "[ . 1 . 2 . 3]" 1
330 1 21 ILE MG 1 36 VAL MG2 . . 4.120 3.961 2.797 4.257 0.137 30 0 "[ . 1 . 2 . 3]" 1
331 1 21 ILE MG 1 61 ILE HA . . 4.620 2.928 2.171 4.066 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 21 ILE MG 1 61 ILE MD . . 4.120 1.948 1.851 2.178 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 22 GLU H 1 22 GLU HB2 . . 3.740 3.430 2.637 3.617 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 22 GLU H 1 22 GLU HG2 . . 4.350 3.434 2.486 4.278 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 22 GLU H 1 22 GLU HG3 . . 4.180 3.584 1.772 4.312 0.132 7 0 "[ . 1 . 2 . 3]" 1
336 1 22 GLU H 1 23 SER H . . 3.750 2.851 2.582 3.195 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 22 GLU H 1 24 THR H . . 4.630 4.285 3.875 4.645 0.015 10 0 "[ . 1 . 2 . 3]" 1
338 1 22 GLU H 1 36 VAL MG1 . . 4.400 4.013 2.875 4.602 0.202 29 0 "[ . 1 . 2 . 3]" 1
339 1 22 GLU H 1 36 VAL MG2 . . 4.130 3.292 2.970 3.585 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 22 GLU HA 1 22 GLU HG2 . . 4.060 3.870 2.225 4.197 0.137 15 0 "[ . 1 . 2 . 3]" 1
341 1 22 GLU HA 1 25 LEU HB2 . . 4.510 2.836 2.016 4.676 0.166 15 0 "[ . 1 . 2 . 3]" 1
342 1 22 GLU HA 1 25 LEU MD1 . . 3.850 2.775 2.109 4.032 0.182 26 0 "[ . 1 . 2 . 3]" 1
343 1 22 GLU HA 1 26 SER H . . 4.440 3.849 3.452 4.479 0.039 16 0 "[ . 1 . 2 . 3]" 1
344 1 22 GLU HA 1 36 VAL MG2 . . 4.240 3.520 2.332 4.375 0.135 13 0 "[ . 1 . 2 . 3]" 1
345 1 22 GLU HB2 1 23 SER H . . 4.300 3.988 3.025 4.302 0.002 22 0 "[ . 1 . 2 . 3]" 1
346 1 22 GLU HB2 1 36 VAL HA . . 5.140 5.093 4.381 5.331 0.191 8 0 "[ . 1 . 2 . 3]" 1
347 1 22 GLU HB3 1 23 SER H . . 4.260 3.692 3.343 4.173 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 22 GLU HB3 1 36 VAL H . . 4.530 4.517 3.791 4.701 0.171 17 0 "[ . 1 . 2 . 3]" 1
349 1 22 GLU HB3 1 36 VAL HA . . 5.410 5.197 4.447 5.581 0.171 30 0 "[ . 1 . 2 . 3]" 1
350 1 22 GLU HB3 1 36 VAL MG2 . . 4.770 2.184 1.906 3.248 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 22 GLU HG2 1 36 VAL MG2 . . 4.110 3.788 2.365 4.235 0.125 20 0 "[ . 1 . 2 . 3]" 1
352 1 22 GLU HG3 1 23 SER H . . 3.990 2.802 1.792 4.002 0.012 30 0 "[ . 1 . 2 . 3]" 1
353 1 22 GLU HG3 1 23 SER QB . . 4.910 4.264 3.152 5.257 0.347 30 0 "[ . 1 . 2 . 3]" 1
354 1 23 SER H 1 23 SER QB . . 3.520 2.376 1.751 2.902 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 23 SER H 1 24 THR H . . 3.520 2.932 2.644 3.167 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 23 SER H 1 36 VAL MG2 . . 5.100 5.047 3.843 5.213 0.113 23 0 "[ . 1 . 2 . 3]" 1
357 1 23 SER QB 1 24 THR HA . . 4.020 4.079 4.025 4.145 0.125 29 0 "[ . 1 . 2 . 3]" 1
358 1 24 THR H 1 24 THR HB . . 3.120 2.563 2.236 3.049 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 24 THR H 1 24 THR MG . . 4.150 3.238 2.171 3.862 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 24 THR H 1 25 LEU H . . 3.570 2.425 1.887 2.686 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 24 THR H 1 25 LEU MD1 . . 5.460 5.008 3.701 5.615 0.155 15 0 "[ . 1 . 2 . 3]" 1
362 1 24 THR HA 1 24 THR MG . . 3.190 2.759 2.272 3.257 0.067 14 0 "[ . 1 . 2 . 3]" 1
363 1 24 THR HA 1 27 ALA H . . 4.480 4.010 3.492 4.503 0.023 21 0 "[ . 1 . 2 . 3]" 1
364 1 24 THR HA 1 27 ALA MB . . 4.500 3.188 2.562 3.934 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 24 THR HB 1 25 LEU H . . 3.760 3.139 2.350 3.934 0.174 14 0 "[ . 1 . 2 . 3]" 1
366 1 24 THR MG 1 25 LEU H . . 3.590 2.993 2.058 3.617 0.027 6 0 "[ . 1 . 2 . 3]" 1
367 1 24 THR MG 1 25 LEU HA . . 4.500 3.544 3.183 3.975 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 24 THR MG 1 60 ALA MB . . 4.140 2.235 1.925 2.828 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 25 LEU H 1 25 LEU HB2 . . 3.530 2.555 2.017 3.650 0.120 23 0 "[ . 1 . 2 . 3]" 1
370 1 25 LEU H 1 25 LEU HB3 . . 3.700 3.453 2.325 3.772 0.072 25 0 "[ . 1 . 2 . 3]" 1
371 1 25 LEU H 1 25 LEU MD1 . . 4.340 3.478 1.909 4.192 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 25 LEU H 1 25 LEU MD2 . . 4.550 3.294 1.840 4.321 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 25 LEU H 1 25 LEU HG . . 4.740 2.865 2.070 4.384 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 25 LEU H 1 26 SER H . . 4.100 2.692 2.408 2.929 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 25 LEU HA 1 25 LEU MD1 . . 3.900 3.598 2.235 3.984 0.084 23 0 "[ . 1 . 2 . 3]" 1
376 1 25 LEU HA 1 25 LEU MD2 . . 3.530 2.480 2.059 3.759 0.229 15 0 "[ . 1 . 2 . 3]" 1
377 1 25 LEU HA 1 27 ALA H . . 4.300 3.667 3.359 3.883 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 25 LEU HA 1 28 LEU H . . 4.510 3.975 3.553 4.517 0.007 1 0 "[ . 1 . 2 . 3]" 1
379 1 25 LEU HA 1 28 LEU QD . . 4.740 2.293 2.120 2.591 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 25 LEU HA 1 28 LEU HG . . 3.520 2.416 2.086 2.941 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 25 LEU HB2 1 26 SER H . . 4.190 2.824 2.474 4.036 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 25 LEU HB2 1 34 ILE HG13 . . 3.920 2.896 2.098 4.336 0.416 15 0 "[ . 1 . 2 . 3]" 1
383 1 25 LEU HB3 1 25 LEU MD1 . . 3.500 2.468 2.258 3.082 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 25 LEU HB3 1 25 LEU MD2 . . 2.890 2.416 1.967 3.092 0.202 26 0 "[ . 1 . 2 . 3]" 1
385 1 25 LEU HB3 1 26 SER H . . 4.270 3.476 2.407 4.293 0.023 23 0 "[ . 1 . 2 . 3]" 1
386 1 25 LEU MD1 1 34 ILE HG13 . . 3.930 3.620 2.087 4.072 0.142 25 0 "[ . 1 . 2 . 3]" 1
387 1 25 LEU MD1 1 45 VAL MG1 . . 4.190 3.542 2.044 4.214 0.024 16 0 "[ . 1 . 2 . 3]" 1
388 1 25 LEU MD1 1 45 VAL MG2 . . 3.960 2.345 1.998 3.980 0.020 2 0 "[ . 1 . 2 . 3]" 1
389 1 25 LEU MD1 1 60 ALA MB . . 3.530 3.130 1.931 3.594 0.064 15 0 "[ . 1 . 2 . 3]" 1
390 1 25 LEU MD2 1 26 SER H . . 4.660 4.346 3.176 4.732 0.072 17 0 "[ . 1 . 2 . 3]" 1
391 1 25 LEU MD2 1 27 ALA H . . 5.280 5.247 4.534 5.449 0.169 15 0 "[ . 1 . 2 . 3]" 1
392 1 25 LEU MD2 1 57 LEU MD2 . . 4.760 3.155 1.869 4.647 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 26 SER H 1 26 SER HB2 . . 3.360 2.899 2.200 3.483 0.123 23 0 "[ . 1 . 2 . 3]" 1
394 1 26 SER H 1 27 ALA H . . 3.440 2.826 2.471 3.033 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 26 SER H 1 27 ALA MB . . 4.390 4.268 4.019 4.404 0.014 18 0 "[ . 1 . 2 . 3]" 1
396 1 26 SER H 1 28 LEU HG . . 4.700 4.729 4.623 4.805 0.105 26 0 "[ . 1 . 2 . 3]" 1
397 1 26 SER H 1 34 ILE HG13 . . 3.910 2.979 2.333 3.690 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 26 SER HB2 1 27 ALA H . . 4.350 4.307 3.890 4.403 0.053 9 0 "[ . 1 . 2 . 3]" 1
399 1 26 SER HB2 1 34 ILE HG13 . . 3.730 3.200 2.195 4.012 0.282 26 0 "[ . 1 . 2 . 3]" 1
400 1 26 SER HB2 1 34 ILE MG . . 3.920 2.267 1.980 3.723 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 26 SER HB3 1 27 ALA H . . 4.580 3.877 3.405 4.537 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 26 SER HB3 1 34 ILE HG12 . . 5.100 4.753 3.555 5.271 0.171 30 0 "[ . 1 . 2 . 3]" 1
403 1 26 SER HB3 1 34 ILE HG13 . . 3.840 3.314 2.145 3.978 0.138 27 0 "[ . 1 . 2 . 3]" 1
404 1 27 ALA H 1 27 ALA MB . . 3.030 2.406 2.303 2.518 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 27 ALA H 1 28 LEU H . . 3.180 2.363 2.053 2.652 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 27 ALA H 1 28 LEU QB . . 4.170 4.223 4.167 4.338 0.168 26 0 "[ . 1 . 2 . 3]" 1
407 1 27 ALA H 1 28 LEU QD . . 4.150 3.833 3.426 3.997 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 27 ALA H 1 28 LEU HG . . 3.260 3.173 2.804 3.319 0.059 18 0 "[ . 1 . 2 . 3]" 1
409 1 27 ALA MB 1 28 LEU H . . 3.960 3.502 3.318 3.685 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 28 LEU H 1 28 LEU QB . . 2.950 2.394 2.265 3.003 0.053 26 0 "[ . 1 . 2 . 3]" 1
411 1 28 LEU H 1 28 LEU QD . . 4.310 3.193 2.274 3.373 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 28 LEU H 1 28 LEU HG . . 3.940 2.509 1.878 2.794 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 28 LEU H 1 31 VAL HB . . 4.770 4.839 4.214 5.079 0.309 29 0 "[ . 1 . 2 . 3]" 1
414 1 28 LEU H 1 31 VAL MG1 . . 4.960 2.495 2.089 3.350 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 28 LEU HA 1 28 LEU QD . . 3.170 2.200 2.048 3.331 0.161 26 0 "[ . 1 . 2 . 3]" 1
416 1 28 LEU QB 1 31 VAL HB . . 4.460 3.920 2.907 4.649 0.189 20 0 "[ . 1 . 2 . 3]" 1
417 1 28 LEU QB 1 31 VAL MG1 . . 3.690 2.200 1.926 3.572 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 30 TYR HB2 1 48 ASN H . . 4.560 3.486 2.845 4.688 0.128 28 0 "[ . 1 . 2 . 3]" 1
419 1 30 TYR QD 1 31 VAL MG1 . . 3.700 3.480 2.346 3.786 0.086 2 0 "[ . 1 . 2 . 3]" 1
420 1 30 TYR QD 1 47 TYR HB2 . . 4.580 2.911 2.139 4.220 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 30 TYR QD 1 48 ASN HA . . 4.870 4.877 4.544 4.971 0.101 20 0 "[ . 1 . 2 . 3]" 1
422 1 30 TYR QD 1 48 ASN HB2 . . 4.630 3.011 2.216 3.740 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 30 TYR QD 1 57 LEU MD1 . . 3.820 3.757 2.723 4.013 0.193 9 0 "[ . 1 . 2 . 3]" 1
424 1 30 TYR QE 1 48 ASN HB2 . . 4.780 4.508 3.737 4.857 0.077 20 0 "[ . 1 . 2 . 3]" 1
425 1 30 TYR QE 1 57 LEU MD1 . . 3.660 2.330 2.018 3.473 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 30 TYR QE 1 57 LEU MD2 . . 5.380 4.039 3.126 4.987 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 31 VAL H 1 31 VAL HB . . 3.680 3.437 2.620 3.791 0.111 28 0 "[ . 1 . 2 . 3]" 1
428 1 31 VAL H 1 31 VAL MG1 . . 4.210 2.211 1.813 2.784 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 31 VAL H 1 31 VAL MG2 . . 4.250 3.579 2.502 3.944 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 31 VAL HA 1 31 VAL MG1 . . 3.620 3.062 2.524 3.261 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 31 VAL HA 1 32 SER H . . 3.320 2.217 2.099 2.513 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 31 VAL HA 1 33 SER H . . 4.270 3.921 3.552 4.295 0.025 20 0 "[ . 1 . 2 . 3]" 1
433 1 31 VAL HA 1 47 TYR HA . . 3.550 2.053 1.883 2.269 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 31 VAL HA 1 47 TYR HB2 . . 4.540 2.864 2.300 3.372 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 31 VAL HA 1 47 TYR HB3 . . 4.270 2.842 2.246 3.420 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 31 VAL MG1 1 32 SER H . . 4.550 4.191 3.199 4.483 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 31 VAL MG1 1 47 TYR HA . . 4.760 4.479 3.580 4.878 0.118 29 0 "[ . 1 . 2 . 3]" 1
438 1 31 VAL MG1 1 47 TYR HB2 . . 4.700 3.789 2.405 4.653 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 31 VAL MG1 1 47 TYR HB3 . . 4.430 3.807 2.246 4.436 0.006 23 0 "[ . 1 . 2 . 3]" 1
440 1 31 VAL MG1 1 47 TYR QD . . 5.400 4.963 3.639 5.508 0.108 2 0 "[ . 1 . 2 . 3]" 1
441 1 31 VAL MG1 1 57 LEU MD1 . . 3.990 3.830 2.013 4.093 0.103 29 0 "[ . 1 . 2 . 3]" 1
442 1 31 VAL MG1 1 57 LEU MD2 . . 4.530 4.265 3.262 4.616 0.086 2 0 "[ . 1 . 2 . 3]" 1
443 1 31 VAL MG2 1 32 SER H . . 3.930 2.556 2.227 3.186 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 31 VAL MG2 1 32 SER HA . . 4.750 3.741 3.004 4.782 0.032 2 0 "[ . 1 . 2 . 3]" 1
445 1 31 VAL MG2 1 32 SER HB3 . . 4.930 4.889 4.555 5.018 0.088 26 0 "[ . 1 . 2 . 3]" 1
446 1 31 VAL MG2 1 33 SER H . . 3.460 2.242 1.837 3.214 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 31 VAL MG2 1 34 ILE H . . 5.500 4.528 3.823 5.510 0.010 2 0 "[ . 1 . 2 . 3]" 1
448 1 31 VAL MG2 1 46 VAL H . . 4.930 3.529 2.642 4.851 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 31 VAL MG2 1 47 TYR HA . . 4.810 4.002 2.665 4.837 0.027 27 0 "[ . 1 . 2 . 3]" 1
450 1 31 VAL MG2 1 47 TYR HB2 . . 4.940 4.270 2.015 4.950 0.010 12 0 "[ . 1 . 2 . 3]" 1
451 1 31 VAL MG2 1 47 TYR QD . . 5.500 4.800 3.416 5.582 0.082 30 0 "[ . 1 . 2 . 3]" 1
452 1 32 SER H 1 32 SER HB2 . . 3.740 2.559 2.101 2.897 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 32 SER H 1 32 SER HB3 . . 3.650 3.326 2.607 3.750 0.100 30 0 "[ . 1 . 2 . 3]" 1
454 1 32 SER H 1 33 SER H . . 3.200 2.135 1.777 2.374 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 32 SER H 1 33 SER HB2 . . 5.440 5.457 4.966 5.660 0.220 19 0 "[ . 1 . 2 . 3]" 1
456 1 32 SER H 1 46 VAL H . . 4.330 4.206 3.861 4.420 0.090 25 0 "[ . 1 . 2 . 3]" 1
457 1 32 SER H 1 46 VAL HB . . 5.220 3.510 2.939 4.219 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 32 SER H 1 47 TYR HA . . 3.860 2.893 2.175 3.569 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 32 SER HA 1 32 SER HB3 . . 2.830 2.651 2.383 2.965 0.135 21 0 "[ . 1 . 2 . 3]" 1
460 1 32 SER HB2 1 33 SER H . . 4.230 3.461 2.460 4.283 0.053 13 0 "[ . 1 . 2 . 3]" 1
461 1 32 SER HB2 1 46 VAL HB . . 4.090 3.690 2.904 4.170 0.080 7 0 "[ . 1 . 2 . 3]" 1
462 1 32 SER HB2 1 46 VAL MG1 . . 3.550 2.290 1.999 2.661 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 32 SER HB2 1 46 VAL MG2 . . 4.840 4.606 4.029 4.901 0.061 1 0 "[ . 1 . 2 . 3]" 1
464 1 33 SER H 1 33 SER HB3 . . 3.370 3.173 2.950 3.381 0.011 16 0 "[ . 1 . 2 . 3]" 1
465 1 33 SER H 1 34 ILE H . . 4.450 4.274 4.137 4.400 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 33 SER H 1 45 VAL MG1 . . 5.050 3.795 3.586 4.227 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 33 SER H 1 46 VAL H . . 3.950 3.092 2.855 3.316 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 33 SER H 1 46 VAL HB . . 3.380 2.587 2.222 2.926 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 33 SER H 1 46 VAL MG2 . . 4.370 4.209 3.886 4.401 0.031 13 0 "[ . 1 . 2 . 3]" 1
470 1 33 SER HA 1 34 ILE H . . 2.690 2.288 2.154 2.523 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 33 SER HA 1 34 ILE MG . . 4.710 3.738 2.887 4.527 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 33 SER HB2 1 34 ILE H . . 3.610 3.357 2.573 3.737 0.127 24 0 "[ . 1 . 2 . 3]" 1
473 1 33 SER HB2 1 35 VAL MG1 . . 4.660 4.754 4.658 4.829 0.169 29 0 "[ . 1 . 2 . 3]" 1
474 1 33 SER HB2 1 46 VAL HB . . 3.730 3.521 2.865 3.791 0.061 28 0 "[ . 1 . 2 . 3]" 1
475 1 33 SER HB2 1 46 VAL MG2 . . 3.810 3.716 3.032 3.861 0.051 18 0 "[ . 1 . 2 . 3]" 1
476 1 33 SER HB3 1 34 ILE H . . 3.860 3.656 2.925 3.980 0.120 7 0 "[ . 1 . 2 . 3]" 1
477 1 33 SER HB3 1 46 VAL HB . . 3.450 2.240 1.985 2.448 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 33 SER HB3 1 46 VAL MG1 . . 3.430 3.390 3.110 3.504 0.074 24 0 "[ . 1 . 2 . 3]" 1
479 1 33 SER HB3 1 46 VAL MG2 . . 3.950 2.667 2.264 3.040 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 34 ILE H 1 34 ILE HB . . 4.150 3.213 2.883 4.021 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 34 ILE H 1 35 VAL MG1 . . 4.060 3.977 3.478 4.124 0.064 13 0 "[ . 1 . 2 . 3]" 1
482 1 34 ILE H 1 46 VAL MG2 . . 5.250 5.136 4.770 5.275 0.025 3 0 "[ . 1 . 2 . 3]" 1
483 1 34 ILE HA 1 34 ILE HG12 . . 3.950 2.522 2.157 3.314 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 34 ILE HA 1 34 ILE HG13 . . 4.020 3.652 3.468 4.096 0.076 25 0 "[ . 1 . 2 . 3]" 1
485 1 34 ILE HA 1 35 VAL H . . 3.070 2.159 2.067 2.275 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 34 ILE HA 1 35 VAL HB . . 4.750 4.782 3.998 4.888 0.138 5 0 "[ . 1 . 2 . 3]" 1
487 1 34 ILE HA 1 45 VAL HA . . 4.220 2.324 2.043 2.659 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 34 ILE HA 1 45 VAL MG1 . . 4.820 2.811 2.349 3.238 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 34 ILE HA 1 45 VAL MG2 . . 4.710 3.082 2.494 3.665 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 34 ILE HA 1 46 VAL H . . 4.040 3.444 2.852 3.709 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 34 ILE HB 1 45 VAL HA . . 4.510 4.503 3.391 4.692 0.182 2 0 "[ . 1 . 2 . 3]" 1
492 1 34 ILE HB 1 45 VAL MG1 . . 4.080 3.394 2.151 3.990 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 34 ILE MD 1 35 VAL HB . . 5.190 4.872 4.388 5.343 0.153 25 0 "[ . 1 . 2 . 3]" 1
494 1 34 ILE MD 1 36 VAL MG2 . . 4.400 2.713 2.000 4.170 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 34 ILE HG12 1 35 VAL H . . 3.890 3.240 2.548 3.939 0.049 13 0 "[ . 1 . 2 . 3]" 1
496 1 34 ILE HG13 1 34 ILE MG . . 3.230 2.429 2.238 2.786 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 34 ILE HG13 1 35 VAL H . . 4.180 4.283 4.195 4.437 0.257 26 0 "[ . 1 . 2 . 3]" 1
498 1 34 ILE MG 1 35 VAL H . . 5.430 3.684 3.063 4.323 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 35 VAL H 1 35 VAL HB . . 3.730 3.387 3.186 3.518 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 35 VAL H 1 35 VAL MG1 . . 3.930 3.818 2.552 3.968 0.038 29 0 "[ . 1 . 2 . 3]" 1
501 1 35 VAL H 1 35 VAL MG2 . . 4.060 2.511 2.285 4.017 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 35 VAL H 1 44 ILE H . . 4.360 3.618 3.186 3.947 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 35 VAL H 1 44 ILE HB . . 4.720 4.111 3.852 4.418 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 35 VAL H 1 45 VAL HA . . 4.550 3.127 2.777 3.496 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 35 VAL HA 1 35 VAL MG1 . . 3.640 2.255 2.151 3.370 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 35 VAL HA 1 35 VAL MG2 . . 3.000 3.003 2.258 3.100 0.100 23 0 "[ . 1 . 2 . 3]" 1
507 1 35 VAL HA 1 36 VAL H . . 2.990 2.513 2.024 3.037 0.047 29 0 "[ . 1 . 2 . 3]" 1
508 1 35 VAL HB 1 36 VAL H . . 4.570 4.378 4.041 4.575 0.005 9 0 "[ . 1 . 2 . 3]" 1
509 1 35 VAL HB 1 44 ILE H . . 4.770 4.010 3.397 5.092 0.322 9 0 "[ . 1 . 2 . 3]" 1
510 1 35 VAL HB 1 45 VAL HA . . 4.590 4.707 4.636 4.811 0.221 9 0 "[ . 1 . 2 . 3]" 1
511 1 35 VAL MG2 1 36 VAL H . . 4.310 4.352 3.606 4.483 0.173 22 0 "[ . 1 . 2 . 3]" 1
512 1 35 VAL MG2 1 44 ILE H . . 4.200 4.160 3.582 4.292 0.092 9 0 "[ . 1 . 2 . 3]" 1
513 1 35 VAL MG2 1 44 ILE HB . . 4.220 3.006 2.245 3.623 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 36 VAL H 1 36 VAL HB . . 3.640 2.604 1.971 3.748 0.108 9 0 "[ . 1 . 2 . 3]" 1
515 1 36 VAL H 1 36 VAL MG1 . . 3.880 3.115 2.065 3.881 0.001 29 0 "[ . 1 . 2 . 3]" 1
516 1 36 VAL H 1 36 VAL MG2 . . 3.730 2.896 1.857 3.754 0.024 11 0 "[ . 1 . 2 . 3]" 1
517 1 36 VAL HA 1 36 VAL MG1 . . 3.370 2.806 2.105 3.310 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 36 VAL HA 1 36 VAL MG2 . . 3.480 2.454 2.115 3.216 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 36 VAL HA 1 37 SER H . . 2.980 2.348 2.155 2.612 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 36 VAL HA 1 43 ALA HA . . 3.160 2.147 1.925 2.605 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 36 VAL HA 1 43 ALA MB . . 3.620 3.623 3.390 3.690 0.070 29 0 "[ . 1 . 2 . 3]" 1
522 1 36 VAL HB 1 37 SER H . . 4.430 3.713 2.237 4.473 0.043 6 0 "[ . 1 . 2 . 3]" 1
523 1 36 VAL MG1 1 37 SER H . . 3.800 2.879 1.782 3.838 0.038 1 0 "[ . 1 . 2 . 3]" 1
524 1 36 VAL MG2 1 37 SER H . . 3.660 3.086 2.445 3.884 0.224 30 0 "[ . 1 . 2 . 3]" 1
525 1 36 VAL MG2 1 43 ALA HA . . 3.640 2.851 2.110 3.787 0.147 9 0 "[ . 1 . 2 . 3]" 1
526 1 36 VAL MG2 1 43 ALA MB . . 3.600 2.847 2.225 3.714 0.114 19 0 "[ . 1 . 2 . 3]" 1
527 1 37 SER H 1 37 SER HB2 . . 3.550 2.844 2.522 3.095 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 37 SER H 1 37 SER HB3 . . 3.890 3.718 2.736 3.952 0.062 1 0 "[ . 1 . 2 . 3]" 1
529 1 37 SER H 1 42 SER H . . 4.140 3.813 3.339 4.202 0.062 8 0 "[ . 1 . 2 . 3]" 1
530 1 37 SER H 1 43 ALA HA . . 4.040 3.198 2.707 3.784 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 37 SER H 1 43 ALA MB . . 5.030 4.255 3.850 4.509 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 37 SER HA 1 38 LEU H . . 2.860 2.268 2.165 2.586 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 37 SER HB2 1 40 ASN HB3 . . 4.080 3.761 3.221 4.228 0.148 22 0 "[ . 1 . 2 . 3]" 1
534 1 37 SER HB2 1 42 SER H . . 3.720 3.073 2.442 3.809 0.089 6 0 "[ . 1 . 2 . 3]" 1
535 1 37 SER HB3 1 38 LEU H . . 4.290 3.732 3.291 4.352 0.062 26 0 "[ . 1 . 2 . 3]" 1
536 1 37 SER HB3 1 40 ASN HB3 . . 4.290 4.017 2.735 4.371 0.081 13 0 "[ . 1 . 2 . 3]" 1
537 1 38 LEU H 1 38 LEU HB2 . . 3.620 3.587 3.333 3.682 0.062 18 0 "[ . 1 . 2 . 3]" 1
538 1 38 LEU H 1 38 LEU HB3 . . 3.220 2.390 2.004 2.566 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 38 LEU H 1 38 LEU MD1 . . 4.170 4.034 3.921 4.242 0.072 26 0 "[ . 1 . 2 . 3]" 1
540 1 38 LEU H 1 38 LEU HG . . 4.380 2.834 2.428 3.323 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 38 LEU H 1 39 GLU H . . 3.550 2.497 2.020 3.607 0.057 26 0 "[ . 1 . 2 . 3]" 1
542 1 38 LEU HA 1 39 GLU HA . . 4.810 4.781 4.567 4.869 0.059 21 0 "[ . 1 . 2 . 3]" 1
543 1 38 LEU HB2 1 38 LEU MD1 . . 3.410 2.139 2.055 2.252 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 38 LEU HB2 1 39 GLU H . . 4.160 4.111 3.899 4.245 0.085 6 0 "[ . 1 . 2 . 3]" 1
545 1 38 LEU HB3 1 39 GLU H . . 4.050 3.825 3.597 4.071 0.021 17 0 "[ . 1 . 2 . 3]" 1
546 1 38 LEU MD1 1 39 GLU H . . 4.290 3.108 2.804 3.399 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 38 LEU MD1 1 39 GLU HB3 . . 3.780 3.509 3.110 3.834 0.054 2 0 "[ . 1 . 2 . 3]" 1
548 1 38 LEU MD1 1 39 GLU HG2 . . 5.500 5.377 4.544 5.553 0.053 15 0 "[ . 1 . 2 . 3]" 1
549 1 38 LEU MD2 1 39 GLU H . . 4.930 4.004 3.738 4.184 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 38 LEU HG 1 39 GLU H . . 4.400 2.344 2.023 2.561 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 38 LEU HG 1 39 GLU HA . . 3.910 3.931 3.687 4.062 0.152 6 0 "[ . 1 . 2 . 3]" 1
552 1 38 LEU HG 1 39 GLU HB3 . . 4.360 3.399 3.032 3.929 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 39 GLU H 1 39 GLU HB2 . . 3.460 3.353 2.592 3.545 0.085 9 0 "[ . 1 . 2 . 3]" 1
554 1 39 GLU H 1 39 GLU HB3 . . 3.740 2.363 1.977 2.652 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 39 GLU H 1 39 GLU HG2 . . 4.640 3.662 2.762 4.625 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 39 GLU H 1 39 GLU HG3 . . 4.600 3.779 3.392 4.652 0.052 6 0 "[ . 1 . 2 . 3]" 1
557 1 39 GLU H 1 40 ASN H . . 3.540 2.470 2.231 2.647 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 39 GLU HA 1 39 GLU HB3 . . 2.910 2.560 2.343 2.981 0.071 26 0 "[ . 1 . 2 . 3]" 1
559 1 39 GLU HA 1 39 GLU HG2 . . 3.930 3.649 2.747 3.917 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 39 GLU HA 1 39 GLU HG3 . . 4.150 4.052 2.919 4.249 0.099 21 0 "[ . 1 . 2 . 3]" 1
561 1 39 GLU HB2 1 39 GLU HG3 . . 3.010 2.421 2.246 2.489 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 39 GLU HB2 1 40 ASN H . . 4.140 3.962 3.625 4.242 0.102 29 0 "[ . 1 . 2 . 3]" 1
563 1 39 GLU HB3 1 40 ASN H . . 3.930 3.680 2.413 4.071 0.141 22 0 "[ . 1 . 2 . 3]" 1
564 1 39 GLU HG2 1 40 ASN H . . 4.850 3.149 2.423 4.305 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 40 ASN H 1 40 ASN HB2 . . 4.080 2.258 1.991 2.717 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 40 ASN H 1 40 ASN HB3 . . 3.490 3.465 2.748 3.575 0.085 25 0 "[ . 1 . 2 . 3]" 1
567 1 40 ASN H 1 40 ASN QD . . 4.350 2.863 2.475 4.264 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 40 ASN HA 1 41 ARG H . . 3.400 2.831 2.138 3.419 0.019 15 0 "[ . 1 . 2 . 3]" 1
569 1 40 ASN HA 1 42 SER H . . 5.180 4.783 4.145 5.327 0.147 30 0 "[ . 1 . 2 . 3]" 1
570 1 40 ASN HB2 1 41 ARG H . . 3.730 2.902 1.769 3.855 0.125 6 0 "[ . 1 . 2 . 3]" 1
571 1 40 ASN HB2 1 42 SER H . . 4.350 3.356 2.235 4.353 0.003 18 0 "[ . 1 . 2 . 3]" 1
572 1 40 ASN HB3 1 42 SER H . . 4.320 3.225 2.347 4.072 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 40 ASN QD 1 41 ARG H . . 4.590 4.353 3.915 4.536 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 41 ARG H 1 41 ARG HA . . 2.930 2.905 2.702 2.997 0.067 28 0 "[ . 1 . 2 . 3]" 1
575 1 41 ARG H 1 41 ARG HD2 . . 5.350 4.965 3.650 5.496 0.146 21 0 "[ . 1 . 2 . 3]" 1
576 1 41 ARG H 1 41 ARG HG2 . . 4.220 2.940 1.747 4.248 0.028 3 0 "[ . 1 . 2 . 3]" 1
577 1 41 ARG H 1 41 ARG HG3 . . 3.800 3.329 2.468 3.944 0.144 13 0 "[ . 1 . 2 . 3]" 1
578 1 41 ARG H 1 42 SER H . . 3.420 2.607 1.850 3.490 0.070 5 0 "[ . 1 . 2 . 3]" 1
579 1 41 ARG HA 1 41 ARG HD3 . . 5.160 4.019 2.420 4.630 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 41 ARG HA 1 41 ARG HG2 . . 3.930 3.281 2.338 3.824 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 41 ARG HA 1 41 ARG HG3 . . 4.010 3.855 3.385 4.172 0.162 17 0 "[ . 1 . 2 . 3]" 1
582 1 41 ARG HA 1 42 SER H . . 3.390 2.916 2.184 3.327 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 41 ARG HA 1 42 SER HA . . 4.680 4.566 4.281 4.683 0.003 3 0 "[ . 1 . 2 . 3]" 1
584 1 41 ARG HB2 1 41 ARG HD3 . . 3.970 3.270 2.684 3.942 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 41 ARG HB3 1 41 ARG HD2 . . 3.530 2.661 2.100 3.206 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 41 ARG HB3 1 41 ARG HD3 . . 3.550 2.350 2.028 3.232 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 42 SER H 1 42 SER HB3 . . 3.890 3.568 2.854 3.911 0.021 17 0 "[ . 1 . 2 . 3]" 1
588 1 42 SER HA 1 43 ALA H . . 3.170 2.082 1.949 2.198 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 42 SER HA 1 43 ALA MB . . 5.150 3.919 3.788 3.996 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 42 SER HB2 1 43 ALA H . . 3.720 3.660 3.208 3.861 0.141 26 0 "[ . 1 . 2 . 3]" 1
591 1 42 SER HB3 1 43 ALA H . . 4.060 3.608 2.915 4.165 0.105 5 0 "[ . 1 . 2 . 3]" 1
592 1 42 SER HB3 1 44 ILE QG . . 4.690 3.828 2.636 4.715 0.025 30 0 "[ . 1 . 2 . 3]" 1
593 1 43 ALA H 1 44 ILE QG . . 4.520 4.126 3.371 4.530 0.010 30 0 "[ . 1 . 2 . 3]" 1
594 1 43 ALA HA 1 44 ILE H . . 3.050 2.234 2.111 2.519 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 43 ALA MB 1 44 ILE H . . 3.860 3.418 3.025 3.657 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 44 ILE H 1 44 ILE HB . . 3.350 2.687 2.453 2.862 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 44 ILE H 1 44 ILE QG . . 4.510 2.800 2.252 3.622 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 44 ILE H 1 44 ILE MG . . 3.890 3.890 3.813 3.933 0.043 16 0 "[ . 1 . 2 . 3]" 1
599 1 44 ILE HA 1 44 ILE QG . . 3.500 2.639 2.352 3.314 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 44 ILE HA 1 44 ILE MG . . 3.480 2.374 2.235 2.527 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 44 ILE HA 1 45 VAL H . . 3.000 2.236 2.134 2.415 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 44 ILE HA 1 45 VAL HB . . 4.570 4.482 4.244 4.620 0.050 23 0 "[ . 1 . 2 . 3]" 1
603 1 44 ILE HA 1 45 VAL MG2 . . 4.780 3.291 3.026 3.518 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 44 ILE HB 1 45 VAL H . . 4.490 3.907 3.690 4.109 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 44 ILE HB 1 45 VAL HA . . 4.920 4.757 4.485 4.935 0.015 12 0 "[ . 1 . 2 . 3]" 1
606 1 44 ILE QG 1 45 VAL H . . 5.050 4.283 3.891 4.769 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 44 ILE MG 1 45 VAL H . . 3.610 2.330 2.228 2.560 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 45 VAL H 1 45 VAL HB . . 3.640 2.877 2.740 3.028 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 45 VAL H 1 45 VAL MG1 . . 4.210 4.007 3.957 4.062 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 45 VAL H 1 45 VAL MG2 . . 3.940 2.934 2.699 3.331 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 45 VAL HA 1 45 VAL MG1 . . 3.750 2.398 2.232 2.572 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 45 VAL HA 1 46 VAL H . . 3.190 2.285 2.168 2.381 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 45 VAL HB 1 46 VAL H . . 5.150 3.917 3.716 4.247 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 45 VAL HB 1 47 TYR QD . . 4.740 3.079 2.913 3.221 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 45 VAL HB 1 57 LEU MD2 . . 4.750 2.517 2.112 3.436 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 45 VAL MG1 1 46 VAL H . . 3.790 2.385 2.245 2.714 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 45 VAL MG1 1 46 VAL HA . . 4.470 3.863 3.619 4.177 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 45 VAL MG1 1 47 TYR HA . . 5.000 4.293 3.879 4.677 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 45 VAL MG1 1 47 TYR HB2 . . 4.400 3.894 3.528 4.414 0.014 13 0 "[ . 1 . 2 . 3]" 1
620 1 45 VAL MG1 1 47 TYR HB3 . . 3.980 2.445 2.110 2.970 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 45 VAL MG1 1 47 TYR QD . . 3.810 2.763 2.317 3.322 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 45 VAL MG1 1 47 TYR QE . . 5.080 4.461 3.927 5.084 0.004 23 0 "[ . 1 . 2 . 3]" 1
623 1 45 VAL MG1 1 57 LEU MD1 . . 4.270 3.497 2.368 4.009 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 45 VAL MG1 1 57 LEU MD2 . . 3.900 2.171 1.984 3.265 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 45 VAL MG2 1 47 TYR QD . . 4.470 4.492 4.408 4.550 0.080 24 0 "[ . 1 . 2 . 3]" 1
626 1 45 VAL MG2 1 57 LEU MD2 . . 4.710 2.357 2.068 3.634 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 46 VAL H 1 46 VAL HB . . 3.640 2.512 2.381 2.715 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 46 VAL H 1 46 VAL MG2 . . 3.650 2.975 2.764 3.152 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 46 VAL HA 1 46 VAL MG1 . . 3.290 2.566 2.435 2.700 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 46 VAL HA 1 46 VAL MG2 . . 3.500 2.384 2.285 2.458 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 46 VAL HA 1 47 TYR H . . 3.170 2.210 2.140 2.292 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 46 VAL HA 1 47 TYR QD . . 4.160 3.135 2.732 3.721 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 46 VAL HB 1 47 TYR H . . 4.800 4.299 4.079 4.529 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 46 VAL MG1 1 47 TYR H . . 3.820 2.849 2.483 3.529 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 47 TYR H 1 47 TYR QD . . 3.520 2.649 2.348 3.109 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 47 TYR H 1 47 TYR QE . . 4.790 4.193 3.879 4.608 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 47 TYR H 1 48 ASN HA . . 5.050 4.874 4.491 5.094 0.044 2 0 "[ . 1 . 2 . 3]" 1
638 1 47 TYR HA 1 47 TYR QD . . 4.180 3.740 3.676 3.776 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 47 TYR HA 1 48 ASN H . . 3.430 2.659 2.433 2.982 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 47 TYR HB2 1 48 ASN H . . 3.420 2.208 1.964 2.422 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 47 TYR HB2 1 57 LEU MD1 . . 4.400 3.415 2.630 4.026 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 47 TYR HB2 1 57 LEU MD2 . . 4.470 3.713 3.296 4.593 0.123 10 0 "[ . 1 . 2 . 3]" 1
643 1 47 TYR HB3 1 48 ASN H . . 4.300 3.702 3.482 3.857 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 47 TYR HB3 1 57 LEU MD1 . . 4.840 3.611 2.500 4.431 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 47 TYR HB3 1 57 LEU MD2 . . 4.440 3.054 2.635 4.054 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 47 TYR QD 1 48 ASN H . . 4.380 2.591 2.117 2.820 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 47 TYR QD 1 49 ALA HA . . 5.180 4.301 3.525 5.221 0.041 29 0 "[ . 1 . 2 . 3]" 1
648 1 47 TYR QD 1 49 ALA MB . . 4.160 3.950 3.470 4.227 0.067 16 0 "[ . 1 . 2 . 3]" 1
649 1 47 TYR QD 1 57 LEU MD1 . . 3.680 3.097 2.475 3.719 0.039 16 0 "[ . 1 . 2 . 3]" 1
650 1 47 TYR QD 1 57 LEU MD2 . . 4.140 2.937 2.403 4.117 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 47 TYR QE 1 48 ASN H . . 4.630 4.639 4.099 4.751 0.121 16 0 "[ . 1 . 2 . 3]" 1
652 1 47 TYR QE 1 49 ALA HA . . 5.400 3.186 2.233 4.665 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 47 TYR QE 1 49 ALA MB . . 3.500 2.712 2.090 3.537 0.037 16 0 "[ . 1 . 2 . 3]" 1
654 1 47 TYR QE 1 54 PRO HB3 . . 4.950 3.866 2.316 5.006 0.056 30 0 "[ . 1 . 2 . 3]" 1
655 1 47 TYR QE 1 57 LEU MD1 . . 4.820 3.556 2.488 4.823 0.003 21 0 "[ . 1 . 2 . 3]" 1
656 1 47 TYR QE 1 57 LEU MD2 . . 4.720 3.298 2.696 4.736 0.016 10 0 "[ . 1 . 2 . 3]" 1
657 1 48 ASN H 1 48 ASN HB2 . . 3.660 2.476 2.225 2.773 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 48 ASN H 1 48 ASN HB3 . . 3.920 3.324 2.299 3.794 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 48 ASN H 1 48 ASN HD21 . . 4.780 3.599 2.312 4.826 0.046 18 0 "[ . 1 . 2 . 3]" 1
660 1 48 ASN H 1 57 LEU MD1 . . 5.070 4.859 4.101 5.146 0.076 12 0 "[ . 1 . 2 . 3]" 1
661 1 48 ASN HA 1 49 ALA H . . 3.220 2.211 2.077 2.377 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 48 ASN HA 1 49 ALA MB . . 4.270 4.091 3.720 4.284 0.014 27 0 "[ . 1 . 2 . 3]" 1
663 1 48 ASN HB3 1 49 ALA H . . 4.630 3.865 2.896 4.544 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 49 ALA H 1 49 ALA MB . . 3.280 2.469 2.099 2.930 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 49 ALA H 1 50 SER H . . 4.130 3.745 2.010 4.225 0.095 1 0 "[ . 1 . 2 . 3]" 1
666 1 49 ALA MB 1 50 SER H . . 4.340 3.408 2.423 3.793 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 50 SER H 1 50 SER HB2 . . 4.050 3.039 2.349 4.165 0.115 1 0 "[ . 1 . 2 . 3]" 1
668 1 50 SER H 1 50 SER HB3 . . 3.820 3.247 2.361 3.954 0.134 27 0 "[ . 1 . 2 . 3]" 1
669 1 50 SER HA 1 50 SER HB3 . . 2.880 2.597 2.363 2.993 0.113 15 0 "[ . 1 . 2 . 3]" 1
670 1 52 VAL HA 1 52 VAL MG1 . . 3.230 2.646 2.250 3.264 0.034 16 0 "[ . 1 . 2 . 3]" 1
671 1 52 VAL HA 1 53 THR H . . 3.320 2.586 2.039 3.122 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 53 THR H 1 53 THR MG . . 3.670 2.824 2.032 3.298 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 53 THR H 1 54 PRO HD3 . . 4.830 3.832 2.808 4.893 0.063 14 0 "[ . 1 . 2 . 3]" 1
674 1 53 THR HA 1 53 THR MG . . 3.320 2.196 2.112 2.319 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 53 THR HA 1 54 PRO HD2 . . 2.950 2.085 2.029 2.151 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 53 THR HA 1 54 PRO HD3 . . 3.520 2.818 2.345 3.118 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 53 THR HA 1 54 PRO HG2 . . 4.220 4.225 4.141 4.300 0.080 14 0 "[ . 1 . 2 . 3]" 1
678 1 53 THR HA 1 55 GLU H . . 4.680 3.191 2.614 3.966 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 53 THR HB 1 55 GLU H . . 3.530 3.359 2.720 3.610 0.080 24 0 "[ . 1 . 2 . 3]" 1
680 1 53 THR HB 1 55 GLU QB . . 4.510 3.706 2.077 4.628 0.118 16 0 "[ . 1 . 2 . 3]" 1
681 1 53 THR HB 1 55 GLU HG3 . . 4.550 3.602 2.321 4.614 0.064 28 0 "[ . 1 . 2 . 3]" 1
682 1 53 THR MG 1 54 PRO HD2 . . 3.770 3.714 3.374 3.835 0.065 22 0 "[ . 1 . 2 . 3]" 1
683 1 53 THR MG 1 54 PRO HD3 . . 4.420 4.438 4.201 4.496 0.076 20 0 "[ . 1 . 2 . 3]" 1
684 1 53 THR MG 1 55 GLU H . . 4.850 4.258 3.792 4.510 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 54 PRO HD2 1 55 GLU H . . 3.800 2.685 2.346 3.201 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 54 PRO HG3 1 55 GLU H . . 4.710 4.222 3.762 4.713 0.003 26 0 "[ . 1 . 2 . 3]" 1
687 1 55 GLU H 1 55 GLU QB . . 3.400 2.395 1.951 2.866 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 55 GLU H 1 55 GLU HG2 . . 4.290 2.803 1.800 4.142 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 55 GLU H 1 55 GLU HG3 . . 3.580 3.133 1.912 3.701 0.121 21 0 "[ . 1 . 2 . 3]" 1
690 1 55 GLU H 1 56 SER H . . 3.750 2.844 2.427 3.277 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 55 GLU H 1 57 LEU H . . 5.500 4.783 4.361 5.292 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 55 GLU HA 1 55 GLU HG2 . . 4.250 3.538 2.329 4.250 . 20 0 "[ . 1 . 2 . 3]" 1
693 1 55 GLU HA 1 55 GLU HG3 . . 4.060 3.813 3.504 4.175 0.115 16 0 "[ . 1 . 2 . 3]" 1
694 1 55 GLU HA 1 57 LEU H . . 4.660 4.037 3.369 4.697 0.037 22 0 "[ . 1 . 2 . 3]" 1
695 1 55 GLU HA 1 58 ARG H . . 4.090 2.931 2.324 3.711 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 55 GLU HA 1 58 ARG HB2 . . 4.010 2.521 2.027 3.310 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 55 GLU HA 1 59 LYS H . . 5.500 4.205 3.528 5.287 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 55 GLU QB 1 56 SER H . . 3.750 3.318 2.382 3.879 0.129 30 0 "[ . 1 . 2 . 3]" 1
699 1 55 GLU QB 1 57 LEU H . . 5.160 5.020 4.624 5.242 0.082 21 0 "[ . 1 . 2 . 3]" 1
700 1 55 GLU HG3 1 56 SER H . . 4.990 4.292 2.729 5.152 0.162 23 0 "[ . 1 . 2 . 3]" 1
701 1 56 SER H 1 56 SER HB2 . . 3.890 2.309 2.041 2.529 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 56 SER H 1 56 SER HB3 . . 3.580 3.027 2.500 3.574 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 56 SER H 1 57 LEU H . . 4.040 2.934 2.694 3.182 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 56 SER HB3 1 57 LEU H . . 3.380 2.619 2.047 3.177 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 56 SER HB3 1 57 LEU MD1 . . 4.950 2.421 2.118 3.987 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 56 SER HB3 1 57 LEU MD2 . . 5.310 4.585 2.272 5.410 0.100 10 0 "[ . 1 . 2 . 3]" 1
707 1 56 SER HB3 1 57 LEU HG . . 4.760 4.783 4.219 4.887 0.127 12 0 "[ . 1 . 2 . 3]" 1
708 1 56 SER HB3 1 58 ARG H . . 4.950 4.915 4.502 5.134 0.184 19 0 "[ . 1 . 2 . 3]" 1
709 1 57 LEU H 1 57 LEU HB3 . . 3.520 3.448 3.195 3.546 0.026 23 0 "[ . 1 . 2 . 3]" 1
710 1 57 LEU H 1 57 LEU MD1 . . 4.090 2.444 2.122 4.011 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 57 LEU H 1 57 LEU MD2 . . 4.490 3.577 1.833 4.328 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 57 LEU H 1 57 LEU HG . . 3.860 3.873 3.560 3.971 0.111 21 0 "[ . 1 . 2 . 3]" 1
713 1 57 LEU H 1 58 ARG H . . 3.480 2.509 2.252 2.748 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 57 LEU HA 1 57 LEU MD1 . . 3.380 2.703 2.150 3.545 0.165 10 0 "[ . 1 . 2 . 3]" 1
715 1 57 LEU HA 1 57 LEU MD2 . . 4.690 3.762 2.333 3.926 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 57 LEU HA 1 57 LEU HG . . 4.100 2.633 2.058 3.640 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 57 LEU HA 1 60 ALA H . . 3.960 3.554 3.111 3.767 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 57 LEU HA 1 60 ALA MB . . 3.450 3.379 2.749 3.526 0.076 12 0 "[ . 1 . 2 . 3]" 1
719 1 57 LEU HB2 1 58 ARG H . . 3.870 2.812 2.466 3.341 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 57 LEU HB3 1 58 ARG H . . 3.580 3.509 3.088 3.616 0.036 12 0 "[ . 1 . 2 . 3]" 1
721 1 57 LEU MD2 1 58 ARG H . . 5.060 4.604 3.745 4.972 . 0 0 "[ . 1 . 2 . 3]" 1
722 1 58 ARG H 1 58 ARG HB2 . . 3.500 2.364 2.219 2.531 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 58 ARG H 1 58 ARG HB3 . . 3.470 2.742 2.521 2.919 . 0 0 "[ . 1 . 2 . 3]" 1
724 1 58 ARG H 1 58 ARG HG3 . . 4.880 4.438 4.143 4.658 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 58 ARG H 1 59 LYS H . . 3.600 2.867 2.656 3.073 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 58 ARG HA 1 58 ARG HG2 . . 3.640 2.646 2.075 3.125 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 58 ARG HA 1 61 ILE H . . 5.000 3.405 2.993 3.992 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 58 ARG HA 1 61 ILE HB . . 4.000 3.222 2.622 3.938 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 58 ARG HA 1 61 ILE MD . . 4.330 2.366 2.028 3.150 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 58 ARG HA 1 61 ILE MG . . 5.500 4.609 4.056 5.173 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 58 ARG HA 1 71 VAL MG1 . . 4.010 3.677 3.328 4.088 0.078 19 0 "[ . 1 . 2 . 3]" 1
732 1 58 ARG HB2 1 59 LYS H . . 3.720 3.810 3.760 3.881 0.161 26 0 "[ . 1 . 2 . 3]" 1
733 1 58 ARG QD 1 73 ILE MD . . 4.580 3.046 1.973 4.391 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 58 ARG HG3 1 71 VAL HB . . 4.990 4.764 2.531 5.145 0.155 10 0 "[ . 1 . 2 . 3]" 1
735 1 58 ARG HG3 1 73 ILE MD . . 3.920 2.214 1.979 2.730 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 59 LYS H 1 59 LYS HB2 . . 3.070 2.310 1.998 2.948 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 59 LYS H 1 59 LYS HB3 . . 3.520 3.504 3.140 3.617 0.097 21 0 "[ . 1 . 2 . 3]" 1
738 1 59 LYS H 1 59 LYS HD2 . . 4.490 3.088 1.770 4.616 0.126 16 0 "[ . 1 . 2 . 3]" 1
739 1 59 LYS H 1 59 LYS HD3 . . 3.140 2.918 2.145 3.257 0.117 29 0 "[ . 1 . 2 . 3]" 1
740 1 59 LYS H 1 59 LYS QG . . 3.870 3.416 1.920 3.916 0.046 29 0 "[ . 1 . 2 . 3]" 1
741 1 59 LYS H 1 60 ALA H . . 4.070 3.024 2.822 3.187 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 59 LYS HA 1 59 LYS HD2 . . 3.320 2.837 2.120 3.362 0.042 16 0 "[ . 1 . 2 . 3]" 1
743 1 59 LYS HA 1 59 LYS QG . . 3.790 2.489 2.212 3.252 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 59 LYS HA 1 62 GLU H . . 4.000 3.204 2.838 3.778 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 59 LYS HA 1 62 GLU HB2 . . 4.200 2.612 2.066 4.473 0.273 6 0 "[ . 1 . 2 . 3]" 1
746 1 59 LYS HA 1 62 GLU HB3 . . 4.170 4.009 3.701 4.249 0.079 30 0 "[ . 1 . 2 . 3]" 1
747 1 59 LYS HA 1 62 GLU HG2 . . 4.300 3.393 1.878 4.415 0.115 5 0 "[ . 1 . 2 . 3]" 1
748 1 59 LYS HA 1 62 GLU HG3 . . 4.300 3.146 2.594 3.780 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 59 LYS HB2 1 60 ALA H . . 3.460 3.227 2.660 3.534 0.074 29 0 "[ . 1 . 2 . 3]" 1
750 1 59 LYS HB3 1 59 LYS HD2 . . 4.090 3.730 2.658 4.172 0.082 16 0 "[ . 1 . 2 . 3]" 1
751 1 59 LYS HB3 1 60 ALA H . . 4.150 3.524 2.806 4.026 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 59 LYS QE 1 59 LYS QG . . 3.220 2.181 1.978 2.410 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 60 ALA H 1 60 ALA MB . . 3.130 2.178 2.070 2.240 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 60 ALA H 1 61 ILE H . . 3.710 2.745 2.595 2.982 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 60 ALA HA 1 63 ALA H . . 4.000 3.760 3.325 4.019 0.019 19 0 "[ . 1 . 2 . 3]" 1
756 1 60 ALA HA 1 63 ALA MB . . 3.420 3.087 2.580 3.432 0.012 18 0 "[ . 1 . 2 . 3]" 1
757 1 60 ALA HA 1 64 VAL MG1 . . 5.180 4.990 4.146 5.740 0.560 2 1 "[ + . 1 . 2 . 3]" 1
758 1 60 ALA MB 1 61 ILE H . . 3.460 2.443 2.245 2.597 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 60 ALA MB 1 61 ILE HA . . 4.210 3.975 3.854 4.080 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 60 ALA MB 1 61 ILE MD . . 5.280 2.459 2.126 3.939 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 60 ALA MB 1 61 ILE MG . . 5.040 5.024 4.866 5.076 0.036 28 0 "[ . 1 . 2 . 3]" 1
762 1 60 ALA MB 1 62 GLU H . . 4.430 4.469 4.407 4.520 0.090 19 0 "[ . 1 . 2 . 3]" 1
763 1 61 ILE H 1 61 ILE HB . . 3.150 2.458 2.352 2.587 . 0 0 "[ . 1 . 2 . 3]" 1
764 1 61 ILE H 1 61 ILE MD . . 4.370 2.138 1.905 3.468 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 61 ILE H 1 61 ILE QG . . 3.910 3.343 2.349 3.503 . 0 0 "[ . 1 . 2 . 3]" 1
766 1 61 ILE H 1 61 ILE MG . . 4.350 3.768 3.726 3.816 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 61 ILE H 1 62 GLU H . . 3.210 2.602 2.409 2.977 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 61 ILE HA 1 61 ILE MD . . 4.710 3.041 2.750 3.776 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 61 ILE HA 1 61 ILE QG . . 3.840 2.557 2.240 2.751 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 61 ILE HA 1 61 ILE MG . . 3.430 2.424 2.289 2.562 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 61 ILE HA 1 64 VAL MG1 . . 3.560 2.827 2.152 3.766 0.206 2 0 "[ . 1 . 2 . 3]" 1
772 1 61 ILE HB 1 62 GLU H . . 3.460 2.585 2.346 2.781 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 61 ILE MD 1 61 ILE MG . . 3.670 3.243 2.134 3.313 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 61 ILE MD 1 71 VAL MG1 . . 4.250 3.431 2.376 3.958 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 61 ILE MD 1 71 VAL MG2 . . 4.300 3.578 2.789 4.335 0.035 25 0 "[ . 1 . 2 . 3]" 1
776 1 61 ILE QG 1 71 VAL MG1 . . 5.260 2.632 2.022 3.783 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 61 ILE MG 1 62 GLU HA . . 5.290 3.084 2.941 3.446 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 61 ILE MG 1 62 GLU HB3 . . 4.900 4.839 3.980 4.988 0.088 2 0 "[ . 1 . 2 . 3]" 1
779 1 61 ILE MG 1 64 VAL H . . 4.820 4.669 4.157 4.894 0.074 3 0 "[ . 1 . 2 . 3]" 1
780 1 61 ILE MG 1 64 VAL MG1 . . 4.990 3.594 2.802 4.588 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 61 ILE MG 1 71 VAL MG1 . . 3.800 2.158 1.989 2.737 . 0 0 "[ . 1 . 2 . 3]" 1
782 1 61 ILE MG 1 71 VAL MG2 . . 5.140 2.718 1.844 3.672 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 62 GLU H 1 62 GLU HB2 . . 3.730 2.669 2.403 3.607 . 0 0 "[ . 1 . 2 . 3]" 1
784 1 62 GLU H 1 62 GLU HB3 . . 3.830 3.487 2.281 3.672 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 62 GLU H 1 62 GLU HG2 . . 3.740 2.631 2.008 3.728 . 0 0 "[ . 1 . 2 . 3]" 1
786 1 62 GLU H 1 62 GLU HG3 . . 4.180 3.120 2.080 3.818 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 62 GLU H 1 63 ALA H . . 3.740 2.698 2.539 2.811 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 62 GLU H 1 63 ALA HA . . 5.210 5.281 5.238 5.339 0.129 10 0 "[ . 1 . 2 . 3]" 1
789 1 62 GLU HA 1 62 GLU HG3 . . 3.680 3.508 2.786 3.816 0.136 25 0 "[ . 1 . 2 . 3]" 1
790 1 62 GLU HA 1 64 VAL H . . 4.660 4.133 3.851 4.676 0.016 13 0 "[ . 1 . 2 . 3]" 1
791 1 62 GLU HA 1 65 SER H . . 4.650 3.637 3.216 3.930 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 62 GLU HB2 1 63 ALA H . . 4.110 2.839 2.348 4.121 0.011 6 0 "[ . 1 . 2 . 3]" 1
793 1 62 GLU HB2 1 63 ALA MB . . 5.230 3.995 3.531 5.245 0.015 13 0 "[ . 1 . 2 . 3]" 1
794 1 62 GLU HB3 1 62 GLU HG2 . . 3.060 2.755 2.313 3.053 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 62 GLU HB3 1 63 ALA H . . 3.780 3.763 3.423 4.004 0.224 13 0 "[ . 1 . 2 . 3]" 1
796 1 62 GLU HG2 1 63 ALA H . . 5.000 4.368 2.429 5.099 0.099 24 0 "[ . 1 . 2 . 3]" 1
797 1 62 GLU HG2 1 71 VAL MG1 . . 5.140 4.126 2.833 5.218 0.078 6 0 "[ . 1 . 2 . 3]" 1
798 1 63 ALA H 1 63 ALA MB . . 3.000 2.214 2.159 2.333 . 0 0 "[ . 1 . 2 . 3]" 1
799 1 63 ALA HA 1 64 VAL HA . . 4.530 4.570 4.462 4.721 0.191 2 0 "[ . 1 . 2 . 3]" 1
800 1 63 ALA HA 1 65 SER H . . 4.540 4.233 3.758 4.621 0.081 10 0 "[ . 1 . 2 . 3]" 1
801 1 63 ALA HA 1 66 PRO HD2 . . 5.030 5.035 4.519 5.131 0.101 9 0 "[ . 1 . 2 . 3]" 1
802 1 63 ALA HA 1 66 PRO HG3 . . 4.440 4.108 3.528 4.469 0.029 9 0 "[ . 1 . 2 . 3]" 1
803 1 63 ALA MB 1 64 VAL H . . 4.300 3.103 2.562 3.426 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 63 ALA MB 1 64 VAL HA . . 5.040 4.135 3.755 4.351 . 0 0 "[ . 1 . 2 . 3]" 1
805 1 64 VAL H 1 64 VAL HB . . 3.520 2.994 1.977 3.695 0.175 27 0 "[ . 1 . 2 . 3]" 1
806 1 64 VAL H 1 64 VAL MG1 . . 3.260 2.223 1.862 3.467 0.207 2 0 "[ . 1 . 2 . 3]" 1
807 1 64 VAL H 1 64 VAL MG2 . . 4.300 3.684 1.648 3.962 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 64 VAL H 1 65 SER H . . 3.320 2.390 2.192 2.808 . 0 0 "[ . 1 . 2 . 3]" 1
809 1 64 VAL H 1 66 PRO HD3 . . 4.430 4.216 3.600 4.463 0.033 2 0 "[ . 1 . 2 . 3]" 1
810 1 64 VAL HA 1 64 VAL MG1 . . 3.250 3.135 2.268 3.269 0.019 28 0 "[ . 1 . 2 . 3]" 1
811 1 64 VAL HA 1 64 VAL MG2 . . 3.370 2.482 2.230 3.361 . 0 0 "[ . 1 . 2 . 3]" 1
812 1 64 VAL HA 1 65 SER HA . . 4.530 4.526 4.411 4.629 0.099 26 0 "[ . 1 . 2 . 3]" 1
813 1 64 VAL HB 1 65 SER H . . 4.390 4.188 2.443 4.498 0.108 24 0 "[ . 1 . 2 . 3]" 1
814 1 64 VAL MG1 1 65 SER H . . 4.700 2.800 2.355 3.999 . 0 0 "[ . 1 . 2 . 3]" 1
815 1 64 VAL MG1 1 65 SER HB3 . . 5.390 4.783 4.017 5.707 0.317 27 0 "[ . 1 . 2 . 3]" 1
816 1 64 VAL MG1 1 69 TYR QE . . 4.710 2.506 1.846 4.208 . 0 0 "[ . 1 . 2 . 3]" 1
817 1 64 VAL MG2 1 65 SER H . . 5.100 3.788 2.194 4.213 . 0 0 "[ . 1 . 2 . 3]" 1
818 1 64 VAL MG2 1 65 SER HA . . 5.240 4.500 3.997 5.458 0.218 12 0 "[ . 1 . 2 . 3]" 1
819 1 64 VAL MG2 1 69 TYR QE . . 3.670 3.334 1.888 3.887 0.217 12 0 "[ . 1 . 2 . 3]" 1
820 1 65 SER H 1 65 SER HB3 . . 4.150 3.975 3.512 4.148 . 0 0 "[ . 1 . 2 . 3]" 1
821 1 65 SER H 1 66 PRO HD2 . . 4.460 3.899 3.542 4.466 0.006 12 0 "[ . 1 . 2 . 3]" 1
822 1 65 SER H 1 69 TYR QD . . 4.270 4.052 2.949 4.341 0.071 2 0 "[ . 1 . 2 . 3]" 1
823 1 65 SER HA 1 66 PRO HD2 . . 3.420 2.200 2.065 2.345 . 0 0 "[ . 1 . 2 . 3]" 1
824 1 65 SER HA 1 66 PRO HD3 . . 2.970 2.859 2.465 3.004 0.034 10 0 "[ . 1 . 2 . 3]" 1
825 1 65 SER HA 1 66 PRO HG3 . . 4.910 4.741 4.525 4.888 . 0 0 "[ . 1 . 2 . 3]" 1
826 1 65 SER HB2 1 66 PRO HD2 . . 5.260 4.943 4.679 5.102 . 0 0 "[ . 1 . 2 . 3]" 1
827 1 65 SER HB2 1 68 LEU HB2 . . 4.340 4.214 3.176 4.448 0.108 5 0 "[ . 1 . 2 . 3]" 1
828 1 65 SER HB2 1 68 LEU HB3 . . 4.980 3.683 2.618 5.160 0.180 12 0 "[ . 1 . 2 . 3]" 1
829 1 65 SER HB2 1 68 LEU MD1 . . 4.580 3.338 2.548 4.583 0.003 16 0 "[ . 1 . 2 . 3]" 1
830 1 65 SER HB2 1 68 LEU MD2 . . 4.960 4.402 3.178 5.062 0.102 6 0 "[ . 1 . 2 . 3]" 1
831 1 65 SER HB2 1 69 TYR QD . . 4.300 2.926 1.993 4.309 0.009 23 0 "[ . 1 . 2 . 3]" 1
832 1 65 SER HB2 1 69 TYR QE . . 4.740 2.798 2.058 3.350 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 65 SER HB3 1 68 LEU H . . 4.270 3.821 3.297 4.277 0.007 27 0 "[ . 1 . 2 . 3]" 1
834 1 65 SER HB3 1 68 LEU HB3 . . 4.720 2.717 2.004 4.748 0.028 5 0 "[ . 1 . 2 . 3]" 1
835 1 65 SER HB3 1 68 LEU MD1 . . 5.160 2.429 2.063 3.962 . 0 0 "[ . 1 . 2 . 3]" 1
836 1 65 SER HB3 1 69 TYR QD . . 3.580 3.560 3.206 3.773 0.193 12 0 "[ . 1 . 2 . 3]" 1
837 1 66 PRO HA 1 67 GLY H . . 3.240 2.283 2.084 3.374 0.134 24 0 "[ . 1 . 2 . 3]" 1
838 1 66 PRO HA 1 68 LEU H . . 4.260 3.565 3.339 4.084 . 0 0 "[ . 1 . 2 . 3]" 1
839 1 66 PRO HB2 1 67 GLY H . . 4.520 3.460 3.172 3.799 . 0 0 "[ . 1 . 2 . 3]" 1
840 1 67 GLY H 1 68 LEU H . . 3.710 2.902 2.554 3.289 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 68 LEU H 1 68 LEU HB2 . . 3.760 2.673 2.152 3.745 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 68 LEU H 1 68 LEU HB3 . . 3.510 2.946 2.554 3.582 0.072 11 0 "[ . 1 . 2 . 3]" 1
843 1 68 LEU H 1 68 LEU MD1 . . 4.970 4.065 2.122 4.597 . 0 0 "[ . 1 . 2 . 3]" 1
844 1 68 LEU H 1 68 LEU MD2 . . 4.870 3.864 1.960 4.436 . 0 0 "[ . 1 . 2 . 3]" 1
845 1 68 LEU H 1 69 TYR H . . 3.330 2.420 2.141 2.727 . 0 0 "[ . 1 . 2 . 3]" 1
846 1 68 LEU HA 1 68 LEU MD1 . . 3.820 3.700 2.235 3.972 0.152 13 0 "[ . 1 . 2 . 3]" 1
847 1 68 LEU HA 1 68 LEU MD2 . . 3.620 2.705 2.088 3.655 0.035 11 0 "[ . 1 . 2 . 3]" 1
848 1 68 LEU HB2 1 69 TYR H . . 4.590 3.445 2.617 4.097 . 0 0 "[ . 1 . 2 . 3]" 1
849 1 68 LEU HB2 1 69 TYR QD . . 4.770 4.274 2.165 4.815 0.045 28 0 "[ . 1 . 2 . 3]" 1
850 1 68 LEU HB3 1 69 TYR H . . 4.640 2.831 2.092 4.564 . 0 0 "[ . 1 . 2 . 3]" 1
851 1 68 LEU MD1 1 69 TYR HB2 . . 5.500 5.473 4.715 5.583 0.083 11 0 "[ . 1 . 2 . 3]" 1
852 1 68 LEU MD1 1 69 TYR QD . . 5.320 3.260 2.006 4.185 . 0 0 "[ . 1 . 2 . 3]" 1
853 1 68 LEU MD1 1 69 TYR QE . . 4.500 2.940 2.234 4.539 0.039 11 0 "[ . 1 . 2 . 3]" 1
854 1 68 LEU HG 1 69 TYR QD . . 5.080 4.446 2.688 5.169 0.089 26 0 "[ . 1 . 2 . 3]" 1
855 1 69 TYR H 1 69 TYR HB2 . . 3.680 2.467 2.255 2.666 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 69 TYR H 1 69 TYR QD . . 4.640 2.878 2.286 3.200 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 69 TYR HA 1 69 TYR QD . . 3.130 2.373 2.107 2.854 . 0 0 "[ . 1 . 2 . 3]" 1
858 1 69 TYR HA 1 69 TYR QE . . 4.540 4.502 4.348 4.629 0.089 20 0 "[ . 1 . 2 . 3]" 1
859 1 69 TYR HA 1 70 ARG H . . 3.100 2.075 1.966 2.204 . 0 0 "[ . 1 . 2 . 3]" 1
860 1 69 TYR HB2 1 70 ARG H . . 4.600 4.398 4.144 4.519 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 69 TYR HB2 1 71 VAL HB . . 5.660 4.495 3.596 5.804 0.144 22 0 "[ . 1 . 2 . 3]" 1
862 1 69 TYR HB2 1 71 VAL MG2 . . 5.320 4.845 3.003 5.422 0.102 11 0 "[ . 1 . 2 . 3]" 1
863 1 69 TYR HB3 1 70 ARG H . . 3.830 3.616 3.167 3.901 0.071 3 0 "[ . 1 . 2 . 3]" 1
864 1 69 TYR QD 1 70 ARG H . . 4.320 4.116 3.541 4.491 0.171 2 0 "[ . 1 . 2 . 3]" 1
865 1 70 ARG H 1 70 ARG HB3 . . 3.820 3.486 2.367 3.658 . 0 0 "[ . 1 . 2 . 3]" 1
866 1 70 ARG H 1 70 ARG HG2 . . 4.240 3.744 3.222 4.323 0.083 20 0 "[ . 1 . 2 . 3]" 1
867 1 70 ARG H 1 71 VAL H . . 4.780 3.603 3.254 3.943 . 0 0 "[ . 1 . 2 . 3]" 1
868 1 70 ARG HA 1 70 ARG HD2 . . 4.610 4.514 3.929 4.760 0.150 8 0 "[ . 1 . 2 . 3]" 1
869 1 70 ARG HA 1 70 ARG HD3 . . 4.610 4.574 4.455 4.671 0.061 20 0 "[ . 1 . 2 . 3]" 1
870 1 70 ARG HA 1 70 ARG HG2 . . 3.950 2.856 2.329 3.606 . 0 0 "[ . 1 . 2 . 3]" 1
871 1 70 ARG HA 1 70 ARG HG3 . . 3.700 2.836 2.440 3.238 . 0 0 "[ . 1 . 2 . 3]" 1
872 1 70 ARG HA 1 71 VAL H . . 3.030 2.713 2.418 2.913 . 0 0 "[ . 1 . 2 . 3]" 1
873 1 70 ARG HA 1 71 VAL MG2 . . 5.800 5.427 3.679 5.903 0.103 13 0 "[ . 1 . 2 . 3]" 1
874 1 70 ARG HB2 1 70 ARG HG2 . . 2.890 2.940 2.701 3.004 0.114 12 0 "[ . 1 . 2 . 3]" 1
875 1 70 ARG HB2 1 71 VAL H . . 4.480 4.338 4.099 4.565 0.085 20 0 "[ . 1 . 2 . 3]" 1
876 1 70 ARG HB3 1 70 ARG HD3 . . 3.310 2.830 2.373 3.447 0.137 20 0 "[ . 1 . 2 . 3]" 1
877 1 70 ARG HB3 1 70 ARG HG2 . . 2.720 2.361 2.211 2.807 0.087 20 0 "[ . 1 . 2 . 3]" 1
878 1 70 ARG HB3 1 71 VAL H . . 4.530 4.453 4.238 4.549 0.019 26 0 "[ . 1 . 2 . 3]" 1
879 1 71 VAL H 1 71 VAL HB . . 3.630 2.805 2.498 3.676 0.046 23 0 "[ . 1 . 2 . 3]" 1
880 1 71 VAL H 1 71 VAL MG1 . . 3.900 2.600 2.187 3.928 0.028 25 0 "[ . 1 . 2 . 3]" 1
881 1 71 VAL HA 1 72 SER H . . 3.000 2.032 1.909 2.237 . 0 0 "[ . 1 . 2 . 3]" 1
882 1 71 VAL MG1 1 72 SER H . . 3.930 3.694 2.329 4.005 0.075 27 0 "[ . 1 . 2 . 3]" 1
883 1 71 VAL MG1 1 73 ILE MD . . 2.400 2.245 1.894 2.471 0.071 22 0 "[ . 1 . 2 . 3]" 1
884 1 71 VAL MG2 1 72 SER H . . 3.920 2.907 2.420 4.171 0.251 28 0 "[ . 1 . 2 . 3]" 1
885 1 71 VAL MG2 1 72 SER HA . . 5.210 4.248 3.846 5.346 0.136 25 0 "[ . 1 . 2 . 3]" 1
886 1 71 VAL MG2 1 73 ILE H . . 5.270 4.860 4.619 5.371 0.101 25 0 "[ . 1 . 2 . 3]" 1
887 1 72 SER H 1 72 SER HB2 . . 4.120 2.778 2.349 3.786 . 0 0 "[ . 1 . 2 . 3]" 1
888 1 72 SER H 1 72 SER HB3 . . 3.830 3.503 2.607 3.879 0.049 22 0 "[ . 1 . 2 . 3]" 1
889 1 72 SER H 1 73 ILE H . . 4.620 4.436 3.877 4.623 0.003 26 0 "[ . 1 . 2 . 3]" 1
890 1 72 SER H 1 73 ILE MD . . 4.560 3.347 2.759 3.779 . 0 0 "[ . 1 . 2 . 3]" 1
891 1 72 SER HA 1 73 ILE H . . 3.000 2.155 2.052 2.312 . 0 0 "[ . 1 . 2 . 3]" 1
892 1 72 SER HA 1 73 ILE HG13 . . 4.830 4.916 4.848 4.985 0.155 28 0 "[ . 1 . 2 . 3]" 1
893 1 72 SER HB2 1 73 ILE H . . 4.300 4.073 2.905 4.382 0.082 19 0 "[ . 1 . 2 . 3]" 1
894 1 72 SER HB3 1 73 ILE H . . 4.370 3.591 2.936 4.407 0.037 16 0 "[ . 1 . 2 . 3]" 1
895 1 73 ILE H 1 73 ILE HB . . 3.200 2.487 2.351 2.586 . 0 0 "[ . 1 . 2 . 3]" 1
896 1 73 ILE H 1 73 ILE MD . . 4.360 2.759 1.991 3.133 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 73 ILE H 1 73 ILE HG12 . . 4.490 3.452 2.437 4.519 0.029 26 0 "[ . 1 . 2 . 3]" 1
898 1 73 ILE H 1 73 ILE HG13 . . 3.840 3.809 3.221 3.922 0.082 26 0 "[ . 1 . 2 . 3]" 1
899 1 73 ILE H 1 73 ILE MG . . 4.220 3.785 3.688 3.834 . 0 0 "[ . 1 . 2 . 3]" 1
900 1 73 ILE HA 1 73 ILE MG . . 3.520 2.379 2.236 2.568 . 0 0 "[ . 1 . 2 . 3]" 1
901 1 73 ILE HA 1 74 THR H . . 3.220 2.151 2.055 2.268 . 0 0 "[ . 1 . 2 . 3]" 1
902 1 73 ILE HB 1 73 ILE MD . . 3.580 2.843 2.374 3.280 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 73 ILE HG12 1 74 THR H . . 5.160 5.100 4.706 5.247 0.087 10 0 "[ . 1 . 2 . 3]" 1
904 1 73 ILE MG 1 74 THR H . . 4.000 2.517 2.355 2.818 . 0 0 "[ . 1 . 2 . 3]" 1
905 1 73 ILE MG 1 74 THR HA . . 3.780 3.799 3.435 3.903 0.123 16 0 "[ . 1 . 2 . 3]" 1
906 1 73 ILE MG 1 75 SER H . . 5.090 3.682 2.913 4.767 . 0 0 "[ . 1 . 2 . 3]" 1
907 1 73 ILE MG 1 75 SER HB2 . . 4.310 3.575 2.109 4.378 0.068 22 0 "[ . 1 . 2 . 3]" 1
908 1 73 ILE MG 1 75 SER HB3 . . 4.650 3.204 2.003 4.687 0.037 2 0 "[ . 1 . 2 . 3]" 1
909 1 74 THR H 1 74 THR HB . . 3.970 3.181 2.493 3.790 . 0 0 "[ . 1 . 2 . 3]" 1
910 1 74 THR H 1 74 THR MG . . 4.270 3.031 1.995 3.943 . 0 0 "[ . 1 . 2 . 3]" 1
911 1 74 THR H 1 75 SER H . . 4.390 4.254 3.825 4.461 0.071 10 0 "[ . 1 . 2 . 3]" 1
912 1 74 THR HA 1 74 THR MG . . 3.420 2.468 2.239 3.277 . 0 0 "[ . 1 . 2 . 3]" 1
913 1 74 THR MG 1 75 SER H . . 4.960 3.743 2.247 4.405 . 0 0 "[ . 1 . 2 . 3]" 1
914 1 75 SER HA 1 76 GLU H . . 3.260 2.335 1.998 2.769 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 75 SER HB2 1 76 GLU H . . 4.080 3.314 1.927 4.272 0.192 24 0 "[ . 1 . 2 . 3]" 1
916 1 75 SER HB3 1 76 GLU H . . 3.990 3.574 2.131 4.199 0.209 26 0 "[ . 1 . 2 . 3]" 1
917 1 76 GLU H 1 76 GLU QB . . 3.450 2.551 2.093 3.290 . 0 0 "[ . 1 . 2 . 3]" 1
918 1 76 GLU H 1 76 GLU HG3 . . 4.090 3.043 2.267 4.166 0.076 15 0 "[ . 1 . 2 . 3]" 1
919 1 76 GLU H 1 77 VAL H . . 4.330 3.833 2.593 4.450 0.120 9 0 "[ . 1 . 2 . 3]" 1
920 1 76 GLU HA 1 77 VAL H . . 3.050 2.423 2.088 2.970 . 0 0 "[ . 1 . 2 . 3]" 1
921 1 77 VAL H 1 77 VAL HB . . 3.320 3.118 2.590 3.648 0.328 5 0 "[ . 1 . 2 . 3]" 1
922 1 77 VAL H 1 77 VAL MG1 . . 3.880 3.434 2.124 4.055 0.175 8 0 "[ . 1 . 2 . 3]" 1
923 1 77 VAL HA 1 77 VAL MG1 . . 3.510 2.775 2.232 3.303 . 0 0 "[ . 1 . 2 . 3]" 1
924 1 77 VAL HA 1 77 VAL MG2 . . 3.170 2.398 2.268 2.563 . 0 0 "[ . 1 . 2 . 3]" 1
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