NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
461355 |
2dlp   |
11233 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2dlp
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 1102
_Distance_constraint_stats_list.Viol_count 68
_Distance_constraint_stats_list.Viol_total 10.094
_Distance_constraint_stats_list.Viol_max 0.049
_Distance_constraint_stats_list.Viol_rms 0.0008
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0074
_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 8 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 TYR 0.004 0.004 16 0 "[ . 1 . 2]"
1 11 VAL 0.023 0.017 16 0 "[ . 1 . 2]"
1 12 ILE 0.002 0.002 16 0 "[ . 1 . 2]"
1 13 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LEU 0.003 0.003 16 0 "[ . 1 . 2]"
1 15 ARG 0.008 0.004 16 0 "[ . 1 . 2]"
1 16 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 TYR 0.000 0.000 12 0 "[ . 1 . 2]"
1 18 ILE 0.002 0.001 16 0 "[ . 1 . 2]"
1 19 THR 0.000 0.000 15 0 "[ . 1 . 2]"
1 20 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LEU 0.000 0.000 10 0 "[ . 1 . 2]"
1 25 LEU 0.002 0.002 16 0 "[ . 1 . 2]"
1 26 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 PHE 0.002 0.001 16 0 "[ . 1 . 2]"
1 28 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ARG 0.007 0.004 16 0 "[ . 1 . 2]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ASP 0.026 0.014 12 0 "[ . 1 . 2]"
1 32 LEU 0.033 0.014 12 0 "[ . 1 . 2]"
1 33 ILE 0.003 0.002 16 0 "[ . 1 . 2]"
1 34 LYS 0.002 0.002 16 0 "[ . 1 . 2]"
1 35 LEU 0.000 0.000 20 0 "[ . 1 . 2]"
1 36 LEU 0.000 0.000 20 0 "[ . 1 . 2]"
1 37 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 VAL 0.002 0.001 20 0 "[ . 1 . 2]"
1 39 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 LEU 0.145 0.046 20 0 "[ . 1 . 2]"
1 42 GLU 0.232 0.049 17 0 "[ . 1 . 2]"
1 43 PRO 0.144 0.049 17 0 "[ . 1 . 2]"
1 44 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 TRP 0.001 0.001 20 0 "[ . 1 . 2]"
1 46 GLN 0.002 0.002 20 0 "[ . 1 . 2]"
1 47 PHE 0.005 0.004 16 0 "[ . 1 . 2]"
1 48 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 SER 0.000 0.000 20 0 "[ . 1 . 2]"
1 50 ALA 0.001 0.001 20 0 "[ . 1 . 2]"
1 53 ARG 0.035 0.013 20 0 "[ . 1 . 2]"
1 54 SER 0.009 0.005 13 0 "[ . 1 . 2]"
1 55 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 LEU 0.007 0.004 16 0 "[ . 1 . 2]"
1 57 PHE 0.002 0.001 16 0 "[ . 1 . 2]"
1 58 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ASP 0.001 0.001 4 0 "[ . 1 . 2]"
1 61 ILE 0.003 0.001 16 0 "[ . 1 . 2]"
1 62 VAL 0.002 0.002 16 0 "[ . 1 . 2]"
1 63 GLN 0.035 0.014 15 0 "[ . 1 . 2]"
1 64 PRO 0.079 0.017 16 0 "[ . 1 . 2]"
1 65 ALA 0.059 0.017 16 0 "[ . 1 . 2]"
1 66 ALA 0.003 0.002 5 0 "[ . 1 . 2]"
1 67 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 PRO 0.026 0.009 11 0 "[ . 1 . 2]"
1 69 ASP 0.015 0.009 11 0 "[ . 1 . 2]"
1 70 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ARG 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 8 SER QB 1 67 ALA MB . . 3.690 2.483 1.914 3.291 . 0 0 "[ . 1 . 2]" 1
2 1 8 SER HB2 1 67 ALA MB . . 4.220 3.050 1.941 4.010 . 0 0 "[ . 1 . 2]" 1
3 1 8 SER HB3 1 67 ALA MB . . 4.220 2.987 2.167 4.113 . 0 0 "[ . 1 . 2]" 1
4 1 9 GLY QA 1 35 LEU QB . . 4.330 3.446 2.709 4.280 . 0 0 "[ . 1 . 2]" 1
5 1 9 GLY QA 1 35 LEU QD . . 3.650 2.569 1.912 3.450 . 0 0 "[ . 1 . 2]" 1
6 1 10 TYR H 1 10 TYR HB2 . . 3.610 2.640 2.474 2.726 . 0 0 "[ . 1 . 2]" 1
7 1 10 TYR H 1 10 TYR QD . . 3.780 3.415 3.182 3.710 . 0 0 "[ . 1 . 2]" 1
8 1 10 TYR H 1 11 VAL H . . 4.390 4.232 4.103 4.379 . 0 0 "[ . 1 . 2]" 1
9 1 10 TYR H 1 11 VAL MG1 . . 4.660 3.736 3.493 4.066 . 0 0 "[ . 1 . 2]" 1
10 1 10 TYR H 1 35 LEU QD . . 5.090 3.560 3.203 4.188 . 0 0 "[ . 1 . 2]" 1
11 1 10 TYR HA 1 10 TYR QD . . 4.300 3.000 2.868 3.060 . 0 0 "[ . 1 . 2]" 1
12 1 10 TYR HA 1 11 VAL H . . 3.210 2.156 2.138 2.225 . 0 0 "[ . 1 . 2]" 1
13 1 10 TYR HA 1 11 VAL MG2 . . 4.270 3.781 3.572 3.942 . 0 0 "[ . 1 . 2]" 1
14 1 10 TYR HA 1 32 LEU QD . . 4.550 3.595 2.601 4.238 . 0 0 "[ . 1 . 2]" 1
15 1 10 TYR HA 1 34 LYS HA . . 4.100 3.813 3.341 4.076 . 0 0 "[ . 1 . 2]" 1
16 1 10 TYR HA 1 35 LEU H . . 4.040 3.552 3.231 3.866 . 0 0 "[ . 1 . 2]" 1
17 1 10 TYR HA 1 35 LEU QD . . 4.400 3.015 1.955 3.607 . 0 0 "[ . 1 . 2]" 1
18 1 10 TYR HA 1 35 LEU HG . . 4.830 3.437 2.702 4.781 . 0 0 "[ . 1 . 2]" 1
19 1 10 TYR HB2 1 11 VAL H . . 4.630 4.375 4.131 4.468 . 0 0 "[ . 1 . 2]" 1
20 1 10 TYR HB2 1 32 LEU QD . . 4.080 3.572 3.294 4.006 . 0 0 "[ . 1 . 2]" 1
21 1 10 TYR HB2 1 65 ALA MB . . 4.380 4.221 3.957 4.370 . 0 0 "[ . 1 . 2]" 1
22 1 10 TYR HB2 1 67 ALA HA . . 4.760 2.743 2.053 3.255 . 0 0 "[ . 1 . 2]" 1
23 1 10 TYR HB3 1 11 VAL H . . 3.820 3.360 2.956 3.545 . 0 0 "[ . 1 . 2]" 1
24 1 10 TYR HB3 1 32 LEU MD1 . . 4.030 2.338 1.952 2.816 . 0 0 "[ . 1 . 2]" 1
25 1 10 TYR HB3 1 32 LEU QD . . 3.350 2.284 1.937 2.754 . 0 0 "[ . 1 . 2]" 1
26 1 10 TYR HB3 1 32 LEU MD2 . . 4.030 3.530 2.357 3.964 . 0 0 "[ . 1 . 2]" 1
27 1 10 TYR HB3 1 34 LYS HA . . 5.340 5.151 4.865 5.322 . 0 0 "[ . 1 . 2]" 1
28 1 10 TYR HB3 1 65 ALA MB . . 3.660 3.589 3.360 3.664 0.004 16 0 "[ . 1 . 2]" 1
29 1 10 TYR QD 1 11 VAL H . . 4.640 3.910 3.444 4.250 . 0 0 "[ . 1 . 2]" 1
30 1 10 TYR QD 1 32 LEU HB2 . . 4.890 4.754 4.539 4.887 . 0 0 "[ . 1 . 2]" 1
31 1 10 TYR QD 1 32 LEU QB . . 4.290 4.171 3.833 4.289 . 0 0 "[ . 1 . 2]" 1
32 1 10 TYR QD 1 32 LEU HB3 . . 4.890 4.634 4.006 4.805 . 0 0 "[ . 1 . 2]" 1
33 1 10 TYR QD 1 32 LEU MD1 . . 3.880 2.090 1.932 2.248 . 0 0 "[ . 1 . 2]" 1
34 1 10 TYR QD 1 32 LEU QD . . 3.390 1.835 1.683 2.062 . 0 0 "[ . 1 . 2]" 1
35 1 10 TYR QD 1 32 LEU MD2 . . 3.880 2.049 1.823 2.397 . 0 0 "[ . 1 . 2]" 1
36 1 10 TYR QD 1 32 LEU HG . . 4.110 2.663 2.191 3.945 . 0 0 "[ . 1 . 2]" 1
37 1 10 TYR QD 1 34 LYS HA . . 4.570 3.504 3.187 4.011 . 0 0 "[ . 1 . 2]" 1
38 1 10 TYR QD 1 34 LYS QB . . 4.690 4.488 4.212 4.674 . 0 0 "[ . 1 . 2]" 1
39 1 10 TYR QD 1 34 LYS QG . . 5.340 4.137 3.451 4.640 . 0 0 "[ . 1 . 2]" 1
40 1 10 TYR QD 1 65 ALA MB . . 5.090 4.979 4.782 5.074 . 0 0 "[ . 1 . 2]" 1
41 1 10 TYR QD 1 67 ALA HA . . 4.340 3.249 2.539 3.843 . 0 0 "[ . 1 . 2]" 1
42 1 10 TYR QD 1 67 ALA MB . . 3.640 2.661 2.118 3.298 . 0 0 "[ . 1 . 2]" 1
43 1 10 TYR QD 1 68 PRO QD . . 4.530 2.899 2.259 3.676 . 0 0 "[ . 1 . 2]" 1
44 1 10 TYR QE 1 32 LEU MD1 . . 4.470 3.643 2.953 4.112 . 0 0 "[ . 1 . 2]" 1
45 1 10 TYR QE 1 32 LEU QD . . 3.820 2.296 1.971 3.055 . 0 0 "[ . 1 . 2]" 1
46 1 10 TYR QE 1 32 LEU MD2 . . 4.470 2.332 1.977 3.242 . 0 0 "[ . 1 . 2]" 1
47 1 10 TYR QE 1 34 LYS HA . . 4.570 3.373 2.881 4.154 . 0 0 "[ . 1 . 2]" 1
48 1 10 TYR QE 1 34 LYS QB . . 3.800 3.267 2.619 3.799 . 0 0 "[ . 1 . 2]" 1
49 1 10 TYR QE 1 34 LYS QD . . 4.440 3.624 2.760 4.331 . 0 0 "[ . 1 . 2]" 1
50 1 10 TYR QE 1 34 LYS QE . . 4.680 4.277 3.177 4.675 . 0 0 "[ . 1 . 2]" 1
51 1 10 TYR QE 1 34 LYS QG . . 4.630 2.849 2.176 3.474 . 0 0 "[ . 1 . 2]" 1
52 1 10 TYR QE 1 67 ALA MB . . 3.930 3.447 2.757 3.831 . 0 0 "[ . 1 . 2]" 1
53 1 10 TYR QE 1 68 PRO QD . . 4.390 3.073 2.169 3.908 . 0 0 "[ . 1 . 2]" 1
54 1 11 VAL H 1 11 VAL MG1 . . 3.480 2.880 2.696 3.208 . 0 0 "[ . 1 . 2]" 1
55 1 11 VAL H 1 11 VAL MG2 . . 3.260 2.128 1.950 2.443 . 0 0 "[ . 1 . 2]" 1
56 1 11 VAL H 1 33 ILE HB . . 4.770 4.141 3.499 4.637 . 0 0 "[ . 1 . 2]" 1
57 1 11 VAL H 1 34 LYS HA . . 4.670 4.369 3.850 4.661 . 0 0 "[ . 1 . 2]" 1
58 1 11 VAL H 1 35 LEU H . . 4.690 4.500 4.185 4.679 . 0 0 "[ . 1 . 2]" 1
59 1 11 VAL H 1 35 LEU MD1 . . 4.470 4.066 3.435 4.464 . 0 0 "[ . 1 . 2]" 1
60 1 11 VAL H 1 35 LEU QD . . 3.850 3.248 2.162 3.844 . 0 0 "[ . 1 . 2]" 1
61 1 11 VAL H 1 35 LEU MD2 . . 4.470 3.660 2.167 4.418 . 0 0 "[ . 1 . 2]" 1
62 1 11 VAL H 1 65 ALA MB . . 5.210 4.831 4.562 4.989 . 0 0 "[ . 1 . 2]" 1
63 1 11 VAL HA 1 11 VAL MG1 . . 3.360 2.326 2.160 2.460 . 0 0 "[ . 1 . 2]" 1
64 1 11 VAL HA 1 12 ILE H . . 3.390 2.233 2.201 2.286 . 0 0 "[ . 1 . 2]" 1
65 1 11 VAL HA 1 12 ILE MG . . 4.330 4.030 3.812 4.168 . 0 0 "[ . 1 . 2]" 1
66 1 11 VAL HA 1 64 PRO HA . . 4.200 2.433 2.231 2.698 . 0 0 "[ . 1 . 2]" 1
67 1 11 VAL HA 1 65 ALA H . . 3.460 2.778 2.571 2.935 . 0 0 "[ . 1 . 2]" 1
68 1 11 VAL HA 1 65 ALA MB . . 3.910 3.295 2.994 3.595 . 0 0 "[ . 1 . 2]" 1
69 1 11 VAL HB 1 12 ILE H . . 3.490 2.862 2.690 2.980 . 0 0 "[ . 1 . 2]" 1
70 1 11 VAL HB 1 62 VAL HB . . 3.790 2.699 2.312 3.170 . 0 0 "[ . 1 . 2]" 1
71 1 11 VAL HB 1 62 VAL MG2 . . 3.530 2.880 2.532 3.171 . 0 0 "[ . 1 . 2]" 1
72 1 11 VAL HB 1 63 GLN H . . 4.200 3.569 3.019 4.028 . 0 0 "[ . 1 . 2]" 1
73 1 11 VAL HB 1 64 PRO HA . . 4.080 3.480 3.185 3.905 . 0 0 "[ . 1 . 2]" 1
74 1 11 VAL MG1 1 62 VAL HB . . 4.590 4.054 3.571 4.537 . 0 0 "[ . 1 . 2]" 1
75 1 11 VAL MG1 1 64 PRO HA . . 3.360 2.054 1.974 2.186 . 0 0 "[ . 1 . 2]" 1
76 1 11 VAL MG1 1 64 PRO HB2 . . 4.180 4.102 3.953 4.179 . 0 0 "[ . 1 . 2]" 1
77 1 11 VAL MG1 1 64 PRO HB3 . . 4.180 3.048 2.813 3.203 . 0 0 "[ . 1 . 2]" 1
78 1 11 VAL MG1 1 64 PRO HD2 . . 5.500 4.895 4.465 5.167 . 0 0 "[ . 1 . 2]" 1
79 1 11 VAL MG1 1 64 PRO HD3 . . 4.350 3.863 3.416 4.145 . 0 0 "[ . 1 . 2]" 1
80 1 11 VAL MG1 1 64 PRO HG2 . . 5.290 5.122 4.894 5.279 . 0 0 "[ . 1 . 2]" 1
81 1 11 VAL MG1 1 64 PRO HG3 . . 5.220 4.719 4.454 4.884 . 0 0 "[ . 1 . 2]" 1
82 1 11 VAL MG1 1 65 ALA H . . 3.630 3.437 3.045 3.647 0.017 16 0 "[ . 1 . 2]" 1
83 1 11 VAL MG2 1 12 ILE H . . 4.250 3.735 3.521 3.888 . 0 0 "[ . 1 . 2]" 1
84 1 11 VAL MG2 1 13 ALA HA . . 5.310 4.957 4.664 5.198 . 0 0 "[ . 1 . 2]" 1
85 1 11 VAL MG2 1 33 ILE H . . 4.090 3.337 2.922 3.645 . 0 0 "[ . 1 . 2]" 1
86 1 11 VAL MG2 1 33 ILE HA . . 5.500 4.737 4.340 4.881 . 0 0 "[ . 1 . 2]" 1
87 1 11 VAL MG2 1 33 ILE HB . . 3.220 2.435 2.171 2.729 . 0 0 "[ . 1 . 2]" 1
88 1 11 VAL MG2 1 33 ILE MD . . 3.140 2.850 2.529 3.091 . 0 0 "[ . 1 . 2]" 1
89 1 11 VAL MG2 1 33 ILE HG12 . . 4.880 4.678 4.103 4.877 . 0 0 "[ . 1 . 2]" 1
90 1 11 VAL MG2 1 33 ILE MG . . 3.650 3.278 2.909 3.616 . 0 0 "[ . 1 . 2]" 1
91 1 11 VAL MG2 1 35 LEU QD . . 3.000 2.264 1.923 2.586 . 0 0 "[ . 1 . 2]" 1
92 1 11 VAL MG2 1 57 PHE QE . . 3.930 2.728 2.350 3.256 . 0 0 "[ . 1 . 2]" 1
93 1 11 VAL MG2 1 57 PHE HZ . . 3.870 2.837 2.463 3.245 . 0 0 "[ . 1 . 2]" 1
94 1 11 VAL MG2 1 62 VAL HA . . 5.080 4.869 4.505 5.075 . 0 0 "[ . 1 . 2]" 1
95 1 11 VAL MG2 1 62 VAL HB . . 3.650 2.727 2.281 3.053 . 0 0 "[ . 1 . 2]" 1
96 1 11 VAL MG2 1 62 VAL MG2 . . 3.030 2.613 2.207 2.967 . 0 0 "[ . 1 . 2]" 1
97 1 11 VAL MG2 1 63 GLN H . . 4.890 4.536 4.028 4.881 . 0 0 "[ . 1 . 2]" 1
98 1 11 VAL MG2 1 64 PRO HA . . 4.590 4.515 4.342 4.596 0.006 16 0 "[ . 1 . 2]" 1
99 1 12 ILE H 1 12 ILE HB . . 3.860 2.809 2.714 2.917 . 0 0 "[ . 1 . 2]" 1
100 1 12 ILE H 1 12 ILE MD . . 4.570 4.530 4.492 4.570 . 0 0 "[ . 1 . 2]" 1
101 1 12 ILE H 1 12 ILE QG . . 4.630 4.053 4.029 4.084 . 0 0 "[ . 1 . 2]" 1
102 1 12 ILE H 1 12 ILE MG . . 3.250 2.212 1.913 2.313 . 0 0 "[ . 1 . 2]" 1
103 1 12 ILE H 1 13 ALA H . . 4.930 4.534 4.478 4.550 . 0 0 "[ . 1 . 2]" 1
104 1 12 ILE H 1 62 VAL HB . . 4.260 3.961 3.806 4.194 . 0 0 "[ . 1 . 2]" 1
105 1 12 ILE H 1 62 VAL MG1 . . 5.500 4.966 4.713 5.392 . 0 0 "[ . 1 . 2]" 1
106 1 12 ILE H 1 62 VAL MG2 . . 5.050 4.899 4.566 5.052 0.002 16 0 "[ . 1 . 2]" 1
107 1 12 ILE H 1 63 GLN H . . 3.610 3.209 2.924 3.596 . 0 0 "[ . 1 . 2]" 1
108 1 12 ILE H 1 64 PRO HA . . 4.340 3.808 3.570 3.982 . 0 0 "[ . 1 . 2]" 1
109 1 12 ILE H 1 65 ALA H . . 4.300 4.202 3.873 4.298 . 0 0 "[ . 1 . 2]" 1
110 1 12 ILE H 1 65 ALA MB . . 3.550 3.195 2.842 3.544 . 0 0 "[ . 1 . 2]" 1
111 1 12 ILE HA 1 12 ILE MD . . 4.160 3.647 3.532 3.716 . 0 0 "[ . 1 . 2]" 1
112 1 12 ILE HA 1 12 ILE QG . . 3.670 2.227 2.171 2.295 . 0 0 "[ . 1 . 2]" 1
113 1 12 ILE HA 1 13 ALA H . . 3.130 2.304 2.211 2.394 . 0 0 "[ . 1 . 2]" 1
114 1 12 ILE HA 1 13 ALA MB . . 4.350 4.010 3.953 4.040 . 0 0 "[ . 1 . 2]" 1
115 1 12 ILE HA 1 32 LEU QD . . 5.180 3.560 2.474 4.478 . 0 0 "[ . 1 . 2]" 1
116 1 12 ILE HA 1 33 ILE H . . 4.530 2.807 2.401 3.080 . 0 0 "[ . 1 . 2]" 1
117 1 12 ILE HA 1 33 ILE MD . . 4.560 3.679 2.771 4.372 . 0 0 "[ . 1 . 2]" 1
118 1 12 ILE HA 1 65 ALA MB . . 4.620 4.517 4.312 4.614 . 0 0 "[ . 1 . 2]" 1
119 1 12 ILE HB 1 12 ILE MD . . 3.060 2.244 2.137 2.362 . 0 0 "[ . 1 . 2]" 1
120 1 12 ILE HB 1 13 ALA H . . 4.340 3.982 3.826 4.137 . 0 0 "[ . 1 . 2]" 1
121 1 12 ILE HB 1 65 ALA MB . . 3.480 2.850 2.586 3.096 . 0 0 "[ . 1 . 2]" 1
122 1 12 ILE MD 1 13 ALA H . . 4.040 3.760 3.517 4.013 . 0 0 "[ . 1 . 2]" 1
123 1 12 ILE MD 1 30 GLY H . . 4.730 3.944 3.555 4.475 . 0 0 "[ . 1 . 2]" 1
124 1 12 ILE MD 1 30 GLY HA2 . . 4.040 2.174 1.901 2.665 . 0 0 "[ . 1 . 2]" 1
125 1 12 ILE MD 1 30 GLY HA3 . . 3.880 3.332 2.995 3.718 . 0 0 "[ . 1 . 2]" 1
126 1 12 ILE MD 1 31 ASP H . . 4.960 4.452 3.871 4.934 . 0 0 "[ . 1 . 2]" 1
127 1 12 ILE MD 1 31 ASP HA . . 4.820 4.513 3.988 4.777 . 0 0 "[ . 1 . 2]" 1
128 1 12 ILE MD 1 63 GLN QG . . 4.640 4.442 4.208 4.618 . 0 0 "[ . 1 . 2]" 1
129 1 12 ILE MD 1 65 ALA MB . . 3.990 3.610 3.298 3.920 . 0 0 "[ . 1 . 2]" 1
130 1 12 ILE QG 1 12 ILE MG . . 3.190 2.154 2.033 2.306 . 0 0 "[ . 1 . 2]" 1
131 1 12 ILE QG 1 13 ALA H . . 3.590 2.067 1.841 2.316 . 0 0 "[ . 1 . 2]" 1
132 1 12 ILE QG 1 13 ALA HA . . 5.070 4.124 3.972 4.319 . 0 0 "[ . 1 . 2]" 1
133 1 12 ILE QG 1 30 GLY H . . 4.620 3.138 2.656 3.489 . 0 0 "[ . 1 . 2]" 1
134 1 12 ILE HG12 1 13 ALA H . . 4.190 2.343 1.951 2.832 . 0 0 "[ . 1 . 2]" 1
135 1 12 ILE HG13 1 13 ALA H . . 4.190 2.354 2.078 2.595 . 0 0 "[ . 1 . 2]" 1
136 1 12 ILE MG 1 13 ALA H . . 3.810 3.471 3.273 3.739 . 0 0 "[ . 1 . 2]" 1
137 1 12 ILE MG 1 13 ALA HA . . 4.420 4.110 3.968 4.335 . 0 0 "[ . 1 . 2]" 1
138 1 12 ILE MG 1 30 GLY H . . 5.040 4.547 4.263 5.007 . 0 0 "[ . 1 . 2]" 1
139 1 12 ILE MG 1 30 GLY HA2 . . 4.510 3.924 3.748 3.996 . 0 0 "[ . 1 . 2]" 1
140 1 12 ILE MG 1 30 GLY HA3 . . 5.500 5.425 5.282 5.500 . 0 0 "[ . 1 . 2]" 1
141 1 12 ILE MG 1 63 GLN H . . 3.920 2.738 2.470 3.111 . 0 0 "[ . 1 . 2]" 1
142 1 12 ILE MG 1 63 GLN HB2 . . 4.420 4.235 4.003 4.374 . 0 0 "[ . 1 . 2]" 1
143 1 12 ILE MG 1 63 GLN QB . . 3.720 3.638 3.514 3.721 0.001 8 0 "[ . 1 . 2]" 1
144 1 12 ILE MG 1 63 GLN HB3 . . 4.420 3.971 3.722 4.181 . 0 0 "[ . 1 . 2]" 1
145 1 12 ILE MG 1 63 GLN HE21 . . 4.450 2.427 1.798 3.691 . 0 0 "[ . 1 . 2]" 1
146 1 12 ILE MG 1 63 GLN QE . . 3.780 2.386 1.788 3.496 . 0 0 "[ . 1 . 2]" 1
147 1 12 ILE MG 1 63 GLN HE22 . . 4.450 3.676 3.177 4.329 . 0 0 "[ . 1 . 2]" 1
148 1 12 ILE MG 1 63 GLN QG . . 3.270 1.908 1.802 2.039 . 0 0 "[ . 1 . 2]" 1
149 1 12 ILE MG 1 65 ALA HA . . 4.820 4.635 4.086 4.805 . 0 0 "[ . 1 . 2]" 1
150 1 12 ILE MG 1 65 ALA MB . . 2.830 2.684 2.473 2.829 . 0 0 "[ . 1 . 2]" 1
151 1 13 ALA H 1 13 ALA MB . . 3.120 2.196 2.107 2.305 . 0 0 "[ . 1 . 2]" 1
152 1 13 ALA H 1 30 GLY H . . 4.730 3.470 2.929 3.898 . 0 0 "[ . 1 . 2]" 1
153 1 13 ALA H 1 33 ILE H . . 5.200 4.097 3.613 4.505 . 0 0 "[ . 1 . 2]" 1
154 1 13 ALA H 1 33 ILE MD . . 3.790 3.318 2.633 3.717 . 0 0 "[ . 1 . 2]" 1
155 1 13 ALA H 1 62 VAL MG1 . . 4.300 4.142 3.815 4.299 . 0 0 "[ . 1 . 2]" 1
156 1 13 ALA HA 1 14 LEU H . . 3.250 2.172 2.144 2.283 . 0 0 "[ . 1 . 2]" 1
157 1 13 ALA HA 1 14 LEU QD . . 5.050 4.301 3.983 4.471 . 0 0 "[ . 1 . 2]" 1
158 1 13 ALA HA 1 15 ARG H . . 4.140 3.803 3.563 4.051 . 0 0 "[ . 1 . 2]" 1
159 1 13 ALA HA 1 33 ILE MD . . 3.990 3.163 2.736 3.620 . 0 0 "[ . 1 . 2]" 1
160 1 13 ALA HA 1 62 VAL HA . . 3.890 2.750 2.340 3.110 . 0 0 "[ . 1 . 2]" 1
161 1 13 ALA HA 1 62 VAL MG1 . . 3.340 2.149 2.002 2.368 . 0 0 "[ . 1 . 2]" 1
162 1 13 ALA HA 1 62 VAL MG2 . . 5.450 4.566 4.165 4.812 . 0 0 "[ . 1 . 2]" 1
163 1 13 ALA HA 1 63 GLN H . . 4.620 3.965 3.554 4.337 . 0 0 "[ . 1 . 2]" 1
164 1 13 ALA MB 1 14 LEU H . . 3.980 3.089 2.645 3.434 . 0 0 "[ . 1 . 2]" 1
165 1 13 ALA MB 1 15 ARG H . . 3.650 3.146 2.750 3.594 . 0 0 "[ . 1 . 2]" 1
166 1 13 ALA MB 1 27 PHE QD . . 3.430 2.490 2.027 2.858 . 0 0 "[ . 1 . 2]" 1
167 1 13 ALA MB 1 27 PHE QE . . 3.560 2.157 1.924 2.700 . 0 0 "[ . 1 . 2]" 1
168 1 13 ALA MB 1 27 PHE HZ . . 4.890 3.557 3.249 4.546 . 0 0 "[ . 1 . 2]" 1
169 1 13 ALA MB 1 28 HIS H . . 4.700 4.380 4.015 4.688 . 0 0 "[ . 1 . 2]" 1
170 1 13 ALA MB 1 29 ARG HA . . 3.630 2.538 2.079 3.173 . 0 0 "[ . 1 . 2]" 1
171 1 13 ALA MB 1 30 GLY H . . 3.520 2.534 1.973 2.921 . 0 0 "[ . 1 . 2]" 1
172 1 13 ALA MB 1 30 GLY HA2 . . 4.840 4.090 3.707 4.384 . 0 0 "[ . 1 . 2]" 1
173 1 13 ALA MB 1 30 GLY HA3 . . 5.040 4.649 4.263 5.033 . 0 0 "[ . 1 . 2]" 1
174 1 13 ALA MB 1 31 ASP H . . 3.570 2.767 1.965 3.254 . 0 0 "[ . 1 . 2]" 1
175 1 13 ALA MB 1 31 ASP HB2 . . 4.480 3.638 2.769 4.321 . 0 0 "[ . 1 . 2]" 1
176 1 13 ALA MB 1 31 ASP QB . . 3.880 3.005 2.680 3.326 . 0 0 "[ . 1 . 2]" 1
177 1 13 ALA MB 1 31 ASP HB3 . . 4.480 3.472 2.729 4.319 . 0 0 "[ . 1 . 2]" 1
178 1 13 ALA MB 1 33 ILE MD . . 3.170 2.200 1.876 2.555 . 0 0 "[ . 1 . 2]" 1
179 1 13 ALA MB 1 33 ILE HG13 . . 4.610 3.630 3.097 4.587 . 0 0 "[ . 1 . 2]" 1
180 1 13 ALA MB 1 61 ILE MD . . 4.980 4.023 3.240 4.394 . 0 0 "[ . 1 . 2]" 1
181 1 13 ALA MB 1 62 VAL MG1 . . 3.670 2.901 2.501 3.279 . 0 0 "[ . 1 . 2]" 1
182 1 14 LEU H 1 14 LEU QB . . 3.590 2.449 2.356 2.638 . 0 0 "[ . 1 . 2]" 1
183 1 14 LEU H 1 14 LEU MD1 . . 4.080 3.439 3.162 3.660 . 0 0 "[ . 1 . 2]" 1
184 1 14 LEU H 1 14 LEU QD . . 3.520 3.170 2.937 3.335 . 0 0 "[ . 1 . 2]" 1
185 1 14 LEU H 1 14 LEU MD2 . . 4.080 3.729 3.425 4.007 . 0 0 "[ . 1 . 2]" 1
186 1 14 LEU H 1 14 LEU HG . . 3.910 2.466 2.018 2.858 . 0 0 "[ . 1 . 2]" 1
187 1 14 LEU H 1 15 ARG H . . 3.320 2.337 2.002 2.749 . 0 0 "[ . 1 . 2]" 1
188 1 14 LEU H 1 62 VAL HA . . 3.820 2.498 2.093 2.862 . 0 0 "[ . 1 . 2]" 1
189 1 14 LEU H 1 62 VAL MG1 . . 3.860 3.122 2.831 3.547 . 0 0 "[ . 1 . 2]" 1
190 1 14 LEU H 1 62 VAL MG2 . . 5.240 5.062 4.860 5.230 . 0 0 "[ . 1 . 2]" 1
191 1 14 LEU H 1 63 GLN H . . 4.620 4.063 3.583 4.577 . 0 0 "[ . 1 . 2]" 1
192 1 14 LEU HA 1 14 LEU MD1 . . 4.010 3.929 3.898 3.989 . 0 0 "[ . 1 . 2]" 1
193 1 14 LEU HA 1 14 LEU QD . . 2.870 2.337 1.989 2.597 . 0 0 "[ . 1 . 2]" 1
194 1 14 LEU HA 1 14 LEU MD2 . . 4.010 2.356 1.995 2.633 . 0 0 "[ . 1 . 2]" 1
195 1 14 LEU HA 1 14 LEU HG . . 3.780 2.955 2.807 3.095 . 0 0 "[ . 1 . 2]" 1
196 1 14 LEU QB 1 14 LEU MD1 . . 3.000 2.050 1.963 2.094 . 0 0 "[ . 1 . 2]" 1
197 1 14 LEU QB 1 14 LEU MD2 . . 3.000 2.139 2.000 2.298 . 0 0 "[ . 1 . 2]" 1
198 1 14 LEU QB 1 15 ARG H . . 4.020 2.744 2.434 3.040 . 0 0 "[ . 1 . 2]" 1
199 1 14 LEU QB 1 61 ILE HA . . 4.390 3.507 3.045 4.108 . 0 0 "[ . 1 . 2]" 1
200 1 14 LEU QD 1 15 ARG H . . 4.190 4.102 3.936 4.193 0.003 16 0 "[ . 1 . 2]" 1
201 1 14 LEU QD 1 15 ARG QG . . 4.230 3.919 3.776 4.046 . 0 0 "[ . 1 . 2]" 1
202 1 14 LEU QD 1 61 ILE HA . . 3.580 2.854 2.481 3.340 . 0 0 "[ . 1 . 2]" 1
203 1 14 LEU QD 1 62 VAL H . . 3.870 3.181 2.565 3.792 . 0 0 "[ . 1 . 2]" 1
204 1 14 LEU QD 1 62 VAL HA . . 3.540 2.822 2.539 3.172 . 0 0 "[ . 1 . 2]" 1
205 1 14 LEU QD 1 63 GLN H . . 3.830 3.026 2.713 3.461 . 0 0 "[ . 1 . 2]" 1
206 1 14 LEU QD 1 63 GLN HA . . 3.770 3.400 3.098 3.655 . 0 0 "[ . 1 . 2]" 1
207 1 14 LEU QD 1 63 GLN QB . . 2.880 1.870 1.768 1.992 . 0 0 "[ . 1 . 2]" 1
208 1 14 LEU QD 1 63 GLN QE . . 4.070 2.757 1.768 3.891 . 0 0 "[ . 1 . 2]" 1
209 1 14 LEU QD 1 63 GLN QG . . 3.150 2.009 1.863 2.254 . 0 0 "[ . 1 . 2]" 1
210 1 14 LEU QD 1 64 PRO HD2 . . 5.440 4.477 4.340 4.675 . 0 0 "[ . 1 . 2]" 1
211 1 14 LEU MD1 1 15 ARG H . . 5.080 4.440 4.170 4.609 . 0 0 "[ . 1 . 2]" 1
212 1 14 LEU MD1 1 62 VAL HA . . 4.090 2.890 2.566 3.313 . 0 0 "[ . 1 . 2]" 1
213 1 14 LEU MD1 1 63 GLN H . . 4.400 3.338 2.854 3.956 . 0 0 "[ . 1 . 2]" 1
214 1 14 LEU MD1 1 63 GLN HA . . 4.420 3.567 3.195 3.951 . 0 0 "[ . 1 . 2]" 1
215 1 14 LEU MD1 1 63 GLN HB2 . . 3.860 3.650 3.408 3.859 . 0 0 "[ . 1 . 2]" 1
216 1 14 LEU MD1 1 63 GLN HB3 . . 3.860 2.162 2.018 2.461 . 0 0 "[ . 1 . 2]" 1
217 1 14 LEU MD1 1 63 GLN QG . . 3.720 3.389 3.131 3.640 . 0 0 "[ . 1 . 2]" 1
218 1 14 LEU MD2 1 15 ARG H . . 5.080 4.835 4.717 4.970 . 0 0 "[ . 1 . 2]" 1
219 1 14 LEU MD2 1 62 VAL HA . . 4.090 3.993 3.741 4.089 . 0 0 "[ . 1 . 2]" 1
220 1 14 LEU MD2 1 63 GLN H . . 4.400 3.488 3.205 3.905 . 0 0 "[ . 1 . 2]" 1
221 1 14 LEU MD2 1 63 GLN HA . . 4.420 4.309 4.162 4.408 . 0 0 "[ . 1 . 2]" 1
222 1 14 LEU MD2 1 63 GLN HB2 . . 3.860 3.326 3.158 3.547 . 0 0 "[ . 1 . 2]" 1
223 1 14 LEU MD2 1 63 GLN HB3 . . 3.860 2.092 1.982 2.271 . 0 0 "[ . 1 . 2]" 1
224 1 14 LEU MD2 1 63 GLN QG . . 3.720 2.025 1.877 2.277 . 0 0 "[ . 1 . 2]" 1
225 1 14 LEU HG 1 62 VAL HA . . 4.140 2.394 2.117 2.548 . 0 0 "[ . 1 . 2]" 1
226 1 14 LEU HG 1 63 GLN H . . 4.550 2.741 2.299 3.407 . 0 0 "[ . 1 . 2]" 1
227 1 14 LEU HG 1 63 GLN QB . . 4.050 3.050 2.756 3.429 . 0 0 "[ . 1 . 2]" 1
228 1 14 LEU HG 1 63 GLN QG . . 4.640 2.891 2.271 3.345 . 0 0 "[ . 1 . 2]" 1
229 1 15 ARG H 1 15 ARG HG2 . . 4.260 2.696 2.238 3.612 . 0 0 "[ . 1 . 2]" 1
230 1 15 ARG H 1 15 ARG QG . . 3.560 2.235 1.958 2.394 . 0 0 "[ . 1 . 2]" 1
231 1 15 ARG H 1 15 ARG HG3 . . 4.260 2.434 1.967 2.697 . 0 0 "[ . 1 . 2]" 1
232 1 15 ARG H 1 16 SER H . . 4.710 4.425 4.375 4.470 . 0 0 "[ . 1 . 2]" 1
233 1 15 ARG H 1 29 ARG HA . . 4.340 3.900 3.649 4.187 . 0 0 "[ . 1 . 2]" 1
234 1 15 ARG H 1 61 ILE HB . . 4.660 3.606 3.104 3.973 . 0 0 "[ . 1 . 2]" 1
235 1 15 ARG H 1 61 ILE MD . . 4.600 3.925 3.628 4.128 . 0 0 "[ . 1 . 2]" 1
236 1 15 ARG H 1 61 ILE QG . . 4.000 3.723 3.347 3.996 . 0 0 "[ . 1 . 2]" 1
237 1 15 ARG H 1 61 ILE MG . . 5.300 5.028 4.609 5.301 0.001 16 0 "[ . 1 . 2]" 1
238 1 15 ARG HA 1 15 ARG QG . . 3.620 3.322 3.299 3.376 . 0 0 "[ . 1 . 2]" 1
239 1 15 ARG HA 1 16 SER H . . 3.270 2.418 2.246 2.649 . 0 0 "[ . 1 . 2]" 1
240 1 15 ARG HA 1 29 ARG HB2 . . 4.850 2.968 2.150 3.507 . 0 0 "[ . 1 . 2]" 1
241 1 15 ARG HA 1 29 ARG HB3 . . 4.850 3.347 2.311 4.854 0.004 16 0 "[ . 1 . 2]" 1
242 1 15 ARG HA 1 29 ARG QD . . 4.150 3.338 2.313 4.026 . 0 0 "[ . 1 . 2]" 1
243 1 15 ARG QB 1 15 ARG QD . . 3.110 2.228 2.046 2.591 . 0 0 "[ . 1 . 2]" 1
244 1 15 ARG QB 1 61 ILE MD . . 4.300 4.178 3.979 4.299 . 0 0 "[ . 1 . 2]" 1
245 1 15 ARG QB 1 61 ILE QG . . 5.340 5.122 4.854 5.334 . 0 0 "[ . 1 . 2]" 1
246 1 15 ARG QB 1 61 ILE MG . . 5.090 4.569 4.286 4.820 . 0 0 "[ . 1 . 2]" 1
247 1 15 ARG HB2 1 16 SER H . . 3.780 2.419 1.926 2.883 . 0 0 "[ . 1 . 2]" 1
248 1 15 ARG HB3 1 16 SER H . . 3.780 3.604 3.388 3.778 . 0 0 "[ . 1 . 2]" 1
249 1 15 ARG QD 1 16 SER H . . 4.920 4.342 3.784 4.919 . 0 0 "[ . 1 . 2]" 1
250 1 15 ARG QD 1 61 ILE HB . . 3.620 2.269 1.990 2.650 . 0 0 "[ . 1 . 2]" 1
251 1 15 ARG HD2 1 61 ILE HB . . 4.430 2.639 2.036 3.483 . 0 0 "[ . 1 . 2]" 1
252 1 15 ARG HD2 1 61 ILE MD . . 4.050 3.041 1.986 4.036 . 0 0 "[ . 1 . 2]" 1
253 1 15 ARG HD2 1 61 ILE MG . . 3.710 2.521 1.968 3.622 . 0 0 "[ . 1 . 2]" 1
254 1 15 ARG HD3 1 61 ILE HB . . 4.430 3.262 2.003 4.032 . 0 0 "[ . 1 . 2]" 1
255 1 15 ARG HD3 1 61 ILE MD . . 4.050 3.192 1.999 3.935 . 0 0 "[ . 1 . 2]" 1
256 1 15 ARG HD3 1 61 ILE MG . . 3.710 3.204 2.034 3.711 0.001 4 0 "[ . 1 . 2]" 1
257 1 15 ARG QG 1 16 SER H . . 4.620 3.926 3.401 4.413 . 0 0 "[ . 1 . 2]" 1
258 1 15 ARG QG 1 61 ILE HA . . 4.530 3.420 3.140 3.692 . 0 0 "[ . 1 . 2]" 1
259 1 15 ARG QG 1 61 ILE HB . . 3.350 2.001 1.854 2.126 . 0 0 "[ . 1 . 2]" 1
260 1 15 ARG QG 1 61 ILE MD . . 3.290 2.468 2.247 2.977 . 0 0 "[ . 1 . 2]" 1
261 1 15 ARG QG 1 61 ILE MG . . 3.610 3.116 2.795 3.401 . 0 0 "[ . 1 . 2]" 1
262 1 15 ARG HG2 1 16 SER H . . 5.370 4.948 4.504 5.183 . 0 0 "[ . 1 . 2]" 1
263 1 15 ARG HG2 1 61 ILE HB . . 3.990 2.223 2.021 2.701 . 0 0 "[ . 1 . 2]" 1
264 1 15 ARG HG2 1 61 ILE MD . . 3.840 3.613 3.368 3.839 . 0 0 "[ . 1 . 2]" 1
265 1 15 ARG HG2 1 61 ILE MG . . 4.130 3.473 3.100 3.768 . 0 0 "[ . 1 . 2]" 1
266 1 15 ARG HG3 1 16 SER H . . 5.370 4.122 3.519 4.785 . 0 0 "[ . 1 . 2]" 1
267 1 15 ARG HG3 1 61 ILE HB . . 3.990 2.339 2.025 2.799 . 0 0 "[ . 1 . 2]" 1
268 1 15 ARG HG3 1 61 ILE MD . . 3.840 2.516 2.276 3.101 . 0 0 "[ . 1 . 2]" 1
269 1 15 ARG HG3 1 61 ILE MG . . 4.130 3.533 3.178 3.872 . 0 0 "[ . 1 . 2]" 1
270 1 16 SER H 1 16 SER QB . . 3.640 2.537 2.180 2.877 . 0 0 "[ . 1 . 2]" 1
271 1 16 SER H 1 16 SER HG . . 4.550 3.188 2.412 4.460 . 0 0 "[ . 1 . 2]" 1
272 1 16 SER H 1 29 ARG H . . 4.580 4.084 3.596 4.523 . 0 0 "[ . 1 . 2]" 1
273 1 16 SER H 1 29 ARG HA . . 5.270 4.483 3.838 4.981 . 0 0 "[ . 1 . 2]" 1
274 1 16 SER H 1 29 ARG QB . . 3.890 2.981 2.483 3.327 . 0 0 "[ . 1 . 2]" 1
275 1 16 SER H 1 29 ARG QD . . 4.880 4.114 3.299 4.726 . 0 0 "[ . 1 . 2]" 1
276 1 16 SER H 1 29 ARG QG . . 5.040 4.711 4.201 5.021 . 0 0 "[ . 1 . 2]" 1
277 1 16 SER HA 1 17 TYR H . . 3.220 2.184 2.139 2.339 . 0 0 "[ . 1 . 2]" 1
278 1 16 SER QB 1 17 TYR H . . 3.790 3.404 2.547 3.790 . 0 0 "[ . 1 . 2]" 1
279 1 16 SER QB 1 18 ILE MD . . 4.100 3.359 2.390 4.096 . 0 0 "[ . 1 . 2]" 1
280 1 17 TYR H 1 17 TYR HB2 . . 4.160 2.670 2.324 3.066 . 0 0 "[ . 1 . 2]" 1
281 1 17 TYR H 1 17 TYR QB . . 3.530 2.426 2.215 2.730 . 0 0 "[ . 1 . 2]" 1
282 1 17 TYR H 1 17 TYR HB3 . . 4.160 2.811 2.630 3.089 . 0 0 "[ . 1 . 2]" 1
283 1 17 TYR H 1 17 TYR QD . . 4.620 4.272 4.070 4.471 . 0 0 "[ . 1 . 2]" 1
284 1 17 TYR H 1 18 ILE H . . 4.490 3.932 3.307 4.237 . 0 0 "[ . 1 . 2]" 1
285 1 17 TYR H 1 18 ILE MD . . 4.540 3.977 3.188 4.539 . 0 0 "[ . 1 . 2]" 1
286 1 17 TYR H 1 27 PHE H . . 4.030 3.640 2.864 3.995 . 0 0 "[ . 1 . 2]" 1
287 1 17 TYR H 1 27 PHE QD . . 4.370 3.160 2.414 4.322 . 0 0 "[ . 1 . 2]" 1
288 1 17 TYR HA 1 17 TYR QD . . 3.830 2.643 2.392 2.907 . 0 0 "[ . 1 . 2]" 1
289 1 17 TYR HA 1 18 ILE H . . 3.200 2.265 2.142 2.433 . 0 0 "[ . 1 . 2]" 1
290 1 17 TYR HA 1 18 ILE HB . . 4.800 4.755 4.633 4.800 0.000 12 0 "[ . 1 . 2]" 1
291 1 17 TYR HA 1 61 ILE MD . . 4.470 3.758 3.399 4.366 . 0 0 "[ . 1 . 2]" 1
292 1 17 TYR QB 1 27 PHE H . . 4.020 2.887 2.393 3.198 . 0 0 "[ . 1 . 2]" 1
293 1 17 TYR QB 1 27 PHE QD . . 5.200 3.396 3.116 3.716 . 0 0 "[ . 1 . 2]" 1
294 1 17 TYR QB 1 27 PHE HZ . . 4.570 2.860 2.561 3.224 . 0 0 "[ . 1 . 2]" 1
295 1 17 TYR QB 1 61 ILE MD . . 3.500 2.118 1.873 2.684 . 0 0 "[ . 1 . 2]" 1
296 1 17 TYR HB2 1 27 PHE H . . 4.810 4.438 3.856 4.769 . 0 0 "[ . 1 . 2]" 1
297 1 17 TYR HB2 1 27 PHE QE . . 4.620 2.853 2.191 3.571 . 0 0 "[ . 1 . 2]" 1
298 1 17 TYR HB2 1 61 ILE MD . . 4.140 2.143 1.889 2.728 . 0 0 "[ . 1 . 2]" 1
299 1 17 TYR HB3 1 27 PHE H . . 4.810 2.926 2.417 3.250 . 0 0 "[ . 1 . 2]" 1
300 1 17 TYR HB3 1 27 PHE QE . . 4.620 3.283 2.823 3.709 . 0 0 "[ . 1 . 2]" 1
301 1 17 TYR HB3 1 61 ILE MD . . 4.140 3.331 2.968 3.984 . 0 0 "[ . 1 . 2]" 1
302 1 17 TYR QD 1 18 ILE H . . 4.650 4.215 2.604 4.570 . 0 0 "[ . 1 . 2]" 1
303 1 17 TYR QD 1 19 THR MG . . 3.830 2.656 2.145 3.211 . 0 0 "[ . 1 . 2]" 1
304 1 17 TYR QD 1 24 LEU QD . . 5.440 4.416 3.908 5.019 . 0 0 "[ . 1 . 2]" 1
305 1 17 TYR QD 1 26 SER HA . . 4.230 3.487 2.686 3.865 . 0 0 "[ . 1 . 2]" 1
306 1 17 TYR QD 1 27 PHE H . . 4.430 3.977 3.188 4.401 . 0 0 "[ . 1 . 2]" 1
307 1 17 TYR QD 1 27 PHE HZ . . 4.540 4.065 2.667 4.512 . 0 0 "[ . 1 . 2]" 1
308 1 17 TYR QD 1 58 PRO HD2 . . 4.390 3.804 3.302 4.190 . 0 0 "[ . 1 . 2]" 1
309 1 17 TYR QD 1 58 PRO HG2 . . 4.560 4.143 3.604 4.538 . 0 0 "[ . 1 . 2]" 1
310 1 17 TYR QD 1 58 PRO HG3 . . 4.560 4.170 3.817 4.464 . 0 0 "[ . 1 . 2]" 1
311 1 17 TYR QD 1 61 ILE MD . . 3.420 2.112 1.800 2.626 . 0 0 "[ . 1 . 2]" 1
312 1 17 TYR QD 1 61 ILE MG . . 4.180 3.425 2.996 4.004 . 0 0 "[ . 1 . 2]" 1
313 1 17 TYR QE 1 19 THR MG . . 3.730 2.647 2.076 3.313 . 0 0 "[ . 1 . 2]" 1
314 1 17 TYR QE 1 24 LEU QB . . 4.200 3.052 2.173 4.134 . 0 0 "[ . 1 . 2]" 1
315 1 17 TYR QE 1 24 LEU MD1 . . 4.670 3.282 2.032 4.643 . 0 0 "[ . 1 . 2]" 1
316 1 17 TYR QE 1 24 LEU QD . . 3.830 2.902 2.016 3.766 . 0 0 "[ . 1 . 2]" 1
317 1 17 TYR QE 1 24 LEU MD2 . . 4.670 3.526 2.137 4.428 . 0 0 "[ . 1 . 2]" 1
318 1 17 TYR QE 1 57 PHE HA . . 4.520 3.801 3.030 4.466 . 0 0 "[ . 1 . 2]" 1
319 1 17 TYR QE 1 58 PRO HD2 . . 4.260 3.494 2.659 4.069 . 0 0 "[ . 1 . 2]" 1
320 1 17 TYR QE 1 58 PRO HG2 . . 4.590 3.714 3.034 4.241 . 0 0 "[ . 1 . 2]" 1
321 1 17 TYR QE 1 58 PRO QG . . 3.860 2.727 2.049 3.227 . 0 0 "[ . 1 . 2]" 1
322 1 17 TYR QE 1 58 PRO HG3 . . 4.590 2.809 2.083 3.345 . 0 0 "[ . 1 . 2]" 1
323 1 17 TYR QE 1 61 ILE MD . . 3.520 3.073 2.603 3.509 . 0 0 "[ . 1 . 2]" 1
324 1 17 TYR QE 1 61 ILE MG . . 4.970 3.590 3.192 3.981 . 0 0 "[ . 1 . 2]" 1
325 1 18 ILE H 1 18 ILE HB . . 3.600 2.530 2.416 2.645 . 0 0 "[ . 1 . 2]" 1
326 1 18 ILE H 1 18 ILE MD . . 4.100 3.439 2.741 3.881 . 0 0 "[ . 1 . 2]" 1
327 1 18 ILE H 1 18 ILE HG12 . . 4.300 2.549 2.025 2.801 . 0 0 "[ . 1 . 2]" 1
328 1 18 ILE H 1 18 ILE QG . . 3.660 2.517 2.013 2.749 . 0 0 "[ . 1 . 2]" 1
329 1 18 ILE H 1 18 ILE HG13 . . 4.300 3.907 3.518 4.132 . 0 0 "[ . 1 . 2]" 1
330 1 18 ILE H 1 18 ILE MG . . 3.860 3.794 3.743 3.852 . 0 0 "[ . 1 . 2]" 1
331 1 18 ILE HA 1 18 ILE MD . . 3.520 1.997 1.934 2.113 . 0 0 "[ . 1 . 2]" 1
332 1 18 ILE HA 1 18 ILE MG . . 3.350 2.380 2.281 2.452 . 0 0 "[ . 1 . 2]" 1
333 1 18 ILE HA 1 19 THR H . . 3.100 2.145 2.138 2.172 . 0 0 "[ . 1 . 2]" 1
334 1 18 ILE HA 1 19 THR MG . . 4.230 3.492 3.175 3.803 . 0 0 "[ . 1 . 2]" 1
335 1 18 ILE HA 1 26 SER QB . . 3.810 3.107 1.992 3.733 . 0 0 "[ . 1 . 2]" 1
336 1 18 ILE HA 1 27 PHE H . . 4.520 3.953 3.104 4.521 0.001 16 0 "[ . 1 . 2]" 1
337 1 18 ILE HB 1 18 ILE MD . . 3.460 3.216 3.181 3.230 . 0 0 "[ . 1 . 2]" 1
338 1 18 ILE MD 1 18 ILE MG . . 2.750 2.070 1.902 2.440 . 0 0 "[ . 1 . 2]" 1
339 1 18 ILE MD 1 19 THR H . . 4.190 3.565 3.337 3.735 . 0 0 "[ . 1 . 2]" 1
340 1 18 ILE MD 1 26 SER QB . . 3.800 3.242 2.097 3.800 . 0 0 "[ . 1 . 2]" 1
341 1 18 ILE MD 1 27 PHE H . . 4.180 3.709 2.887 4.147 . 0 0 "[ . 1 . 2]" 1
342 1 18 ILE MD 1 28 HIS HD2 . . 4.090 3.267 2.261 4.043 . 0 0 "[ . 1 . 2]" 1
343 1 18 ILE MD 1 28 HIS HE1 . . 4.200 3.610 2.574 4.156 . 0 0 "[ . 1 . 2]" 1
344 1 18 ILE QG 1 18 ILE MG . . 3.040 2.265 2.005 2.420 . 0 0 "[ . 1 . 2]" 1
345 1 18 ILE QG 1 19 THR H . . 4.820 4.684 4.577 4.820 . 15 0 "[ . 1 . 2]" 1
346 1 18 ILE HG12 1 18 ILE MG . . 3.570 3.183 3.124 3.201 . 0 0 "[ . 1 . 2]" 1
347 1 18 ILE HG12 1 19 THR H . . 5.500 5.121 4.936 5.385 . 0 0 "[ . 1 . 2]" 1
348 1 18 ILE HG13 1 18 ILE MG . . 3.570 2.320 2.029 2.506 . 0 0 "[ . 1 . 2]" 1
349 1 18 ILE HG13 1 19 THR H . . 5.500 5.435 5.274 5.500 . 0 0 "[ . 1 . 2]" 1
350 1 18 ILE MG 1 19 THR H . . 3.590 2.672 2.396 3.117 . 0 0 "[ . 1 . 2]" 1
351 1 18 ILE MG 1 26 SER HA . . 5.500 4.960 4.409 5.434 . 0 0 "[ . 1 . 2]" 1
352 1 18 ILE MG 1 26 SER QB . . 4.230 3.676 2.472 4.187 . 0 0 "[ . 1 . 2]" 1
353 1 19 THR H 1 19 THR MG . . 3.650 2.335 1.923 2.951 . 0 0 "[ . 1 . 2]" 1
354 1 19 THR H 1 24 LEU QD . . 5.440 5.350 5.089 5.440 . 0 0 "[ . 1 . 2]" 1
355 1 19 THR H 1 26 SER HA . . 4.430 3.326 2.904 3.852 . 0 0 "[ . 1 . 2]" 1
356 1 19 THR H 1 26 SER QB . . 3.810 2.611 1.916 3.253 . 0 0 "[ . 1 . 2]" 1
357 1 19 THR HA 1 19 THR MG . . 3.660 2.803 2.264 3.202 . 0 0 "[ . 1 . 2]" 1
358 1 19 THR HA 1 21 ASN H . . 4.510 3.975 3.533 4.230 . 0 0 "[ . 1 . 2]" 1
359 1 19 THR HB 1 21 ASN H . . 4.390 3.447 2.527 4.364 . 0 0 "[ . 1 . 2]" 1
360 1 19 THR HB 1 24 LEU QB . . 4.610 3.111 2.376 4.135 . 0 0 "[ . 1 . 2]" 1
361 1 19 THR HB 1 24 LEU QD . . 3.910 2.644 2.107 3.212 . 0 0 "[ . 1 . 2]" 1
362 1 19 THR MG 1 21 ASN H . . 4.340 3.646 2.520 4.276 . 0 0 "[ . 1 . 2]" 1
363 1 19 THR MG 1 24 LEU QB . . 3.440 2.056 1.873 2.236 . 0 0 "[ . 1 . 2]" 1
364 1 19 THR MG 1 24 LEU QD . . 3.130 2.544 2.205 3.113 . 0 0 "[ . 1 . 2]" 1
365 1 19 THR MG 1 26 SER HA . . 4.060 2.718 2.485 3.087 . 0 0 "[ . 1 . 2]" 1
366 1 19 THR MG 1 26 SER QB . . 3.870 2.956 2.103 3.628 . 0 0 "[ . 1 . 2]" 1
367 1 19 THR MG 1 27 PHE H . . 4.340 4.275 4.131 4.338 . 0 0 "[ . 1 . 2]" 1
368 1 20 ASP QB 1 21 ASN H . . 4.360 3.703 2.962 4.019 . 0 0 "[ . 1 . 2]" 1
369 1 21 ASN H 1 21 ASN QB . . 3.420 2.535 2.169 2.986 . 0 0 "[ . 1 . 2]" 1
370 1 21 ASN H 1 24 LEU QD . . 4.420 3.851 2.908 4.272 . 0 0 "[ . 1 . 2]" 1
371 1 21 ASN QB 1 24 LEU H . . 4.470 2.823 2.464 3.318 . 0 0 "[ . 1 . 2]" 1
372 1 21 ASN QB 1 24 LEU QB . . 4.430 3.053 2.197 3.950 . 0 0 "[ . 1 . 2]" 1
373 1 21 ASN QB 1 24 LEU MD1 . . 4.880 2.729 1.908 3.894 . 0 0 "[ . 1 . 2]" 1
374 1 21 ASN QB 1 24 LEU QD . . 3.540 2.596 1.853 3.418 . 0 0 "[ . 1 . 2]" 1
375 1 21 ASN QB 1 24 LEU MD2 . . 4.880 4.177 1.857 4.648 . 0 0 "[ . 1 . 2]" 1
376 1 21 ASN QB 1 24 LEU HG . . 4.440 3.226 2.354 4.374 . 0 0 "[ . 1 . 2]" 1
377 1 21 ASN QD 1 24 LEU QD . . 4.330 3.237 1.978 4.238 . 0 0 "[ . 1 . 2]" 1
378 1 22 CYS HA 1 24 LEU H . . 4.500 4.272 3.567 4.492 . 0 0 "[ . 1 . 2]" 1
379 1 23 SER H 1 23 SER QB . . 3.690 2.420 2.140 2.712 . 0 0 "[ . 1 . 2]" 1
380 1 23 SER H 1 24 LEU H . . 3.630 2.808 1.803 3.121 . 0 0 "[ . 1 . 2]" 1
381 1 23 SER QB 1 24 LEU H . . 4.480 2.708 2.209 3.705 . 0 0 "[ . 1 . 2]" 1
382 1 23 SER QB 1 24 LEU QD . . 3.870 3.320 2.140 3.853 . 0 0 "[ . 1 . 2]" 1
383 1 23 SER QB 1 56 LEU QD . . 4.270 4.053 3.591 4.260 . 0 0 "[ . 1 . 2]" 1
384 1 24 LEU H 1 24 LEU QB . . 3.500 2.463 2.186 2.731 . 0 0 "[ . 1 . 2]" 1
385 1 24 LEU H 1 24 LEU MD1 . . 4.210 3.465 2.283 4.123 . 0 0 "[ . 1 . 2]" 1
386 1 24 LEU H 1 24 LEU QD . . 3.670 3.047 1.917 3.614 . 0 0 "[ . 1 . 2]" 1
387 1 24 LEU H 1 24 LEU MD2 . . 4.210 3.498 1.976 4.027 . 0 0 "[ . 1 . 2]" 1
388 1 24 LEU H 1 24 LEU HG . . 3.930 2.560 2.107 3.871 . 0 0 "[ . 1 . 2]" 1
389 1 24 LEU HA 1 24 LEU MD1 . . 4.180 3.756 1.994 3.964 . 0 0 "[ . 1 . 2]" 1
390 1 24 LEU HA 1 24 LEU QD . . 3.160 2.225 1.952 2.660 . 0 0 "[ . 1 . 2]" 1
391 1 24 LEU HA 1 24 LEU MD2 . . 4.180 2.363 1.958 3.725 . 0 0 "[ . 1 . 2]" 1
392 1 24 LEU HA 1 25 LEU H . . 3.360 2.497 2.248 2.629 . 0 0 "[ . 1 . 2]" 1
393 1 24 LEU HA 1 25 LEU HA . . 5.160 4.396 4.343 4.454 . 0 0 "[ . 1 . 2]" 1
394 1 24 LEU HA 1 55 GLY HA2 . . 4.760 4.155 3.619 4.620 . 0 0 "[ . 1 . 2]" 1
395 1 24 LEU HA 1 55 GLY QA . . 4.120 3.366 2.843 3.741 . 0 0 "[ . 1 . 2]" 1
396 1 24 LEU HA 1 55 GLY HA3 . . 4.760 3.565 2.973 3.997 . 0 0 "[ . 1 . 2]" 1
397 1 24 LEU HA 1 56 LEU H . . 3.520 2.186 1.927 2.839 . 0 0 "[ . 1 . 2]" 1
398 1 24 LEU HA 1 56 LEU HB2 . . 4.910 3.024 2.538 3.516 . 0 0 "[ . 1 . 2]" 1
399 1 24 LEU HA 1 56 LEU QB . . 4.080 2.970 2.515 3.429 . 0 0 "[ . 1 . 2]" 1
400 1 24 LEU HA 1 56 LEU HB3 . . 4.910 4.372 3.921 4.759 . 0 0 "[ . 1 . 2]" 1
401 1 24 LEU HA 1 56 LEU QD . . 4.460 4.047 3.459 4.454 . 0 0 "[ . 1 . 2]" 1
402 1 24 LEU QB 1 24 LEU MD1 . . 3.170 2.084 1.963 2.500 . 0 0 "[ . 1 . 2]" 1
403 1 24 LEU QB 1 24 LEU MD2 . . 3.170 2.196 1.985 2.344 . 0 0 "[ . 1 . 2]" 1
404 1 24 LEU QB 1 25 LEU H . . 3.830 2.223 1.946 2.781 . 0 0 "[ . 1 . 2]" 1
405 1 24 LEU QB 1 57 PHE HA . . 4.610 4.360 3.988 4.610 0.000 10 0 "[ . 1 . 2]" 1
406 1 24 LEU QD 1 25 LEU H . . 3.750 3.314 2.976 3.627 . 0 0 "[ . 1 . 2]" 1
407 1 24 LEU QD 1 45 TRP HE3 . . 4.580 3.936 3.595 4.575 . 0 0 "[ . 1 . 2]" 1
408 1 24 LEU QD 1 45 TRP HH2 . . 3.730 2.464 1.925 2.826 . 0 0 "[ . 1 . 2]" 1
409 1 24 LEU QD 1 45 TRP HZ2 . . 5.440 4.118 3.033 4.456 . 0 0 "[ . 1 . 2]" 1
410 1 24 LEU QD 1 45 TRP HZ3 . . 3.620 2.273 1.855 2.885 . 0 0 "[ . 1 . 2]" 1
411 1 24 LEU QD 1 56 LEU H . . 3.790 3.562 3.264 3.779 . 0 0 "[ . 1 . 2]" 1
412 1 24 LEU QD 1 56 LEU QB . . 3.310 2.779 2.200 3.272 . 0 0 "[ . 1 . 2]" 1
413 1 24 LEU QD 1 57 PHE HA . . 4.780 3.705 3.203 4.541 . 0 0 "[ . 1 . 2]" 1
414 1 24 LEU QD 1 58 PRO HD3 . . 5.440 3.962 3.326 5.050 . 0 0 "[ . 1 . 2]" 1
415 1 24 LEU MD1 1 25 LEU H . . 4.810 4.321 3.612 4.670 . 0 0 "[ . 1 . 2]" 1
416 1 24 LEU MD1 1 45 TRP HH2 . . 4.350 3.610 2.856 4.215 . 0 0 "[ . 1 . 2]" 1
417 1 24 LEU MD2 1 25 LEU H . . 4.810 3.487 3.038 4.555 . 0 0 "[ . 1 . 2]" 1
418 1 24 LEU MD2 1 45 TRP HH2 . . 4.350 2.562 1.952 3.890 . 0 0 "[ . 1 . 2]" 1
419 1 25 LEU H 1 25 LEU HB2 . . 3.800 3.020 2.773 3.338 . 0 0 "[ . 1 . 2]" 1
420 1 25 LEU H 1 25 LEU QB . . 3.320 2.353 2.240 2.420 . 0 0 "[ . 1 . 2]" 1
421 1 25 LEU H 1 25 LEU HB3 . . 3.800 2.461 2.302 2.557 . 0 0 "[ . 1 . 2]" 1
422 1 25 LEU H 1 25 LEU MD1 . . 4.560 4.322 4.178 4.435 . 0 0 "[ . 1 . 2]" 1
423 1 25 LEU H 1 25 LEU MD2 . . 4.560 4.328 4.161 4.421 . 0 0 "[ . 1 . 2]" 1
424 1 25 LEU H 1 45 TRP HZ3 . . 5.130 4.810 3.879 5.129 . 0 0 "[ . 1 . 2]" 1
425 1 25 LEU H 1 56 LEU H . . 4.090 3.190 2.505 4.087 . 0 0 "[ . 1 . 2]" 1
426 1 25 LEU H 1 57 PHE QD . . 5.500 4.754 4.298 5.120 . 0 0 "[ . 1 . 2]" 1
427 1 25 LEU HA 1 25 LEU MD1 . . 4.120 2.219 1.979 2.457 . 0 0 "[ . 1 . 2]" 1
428 1 25 LEU HA 1 25 LEU QD . . 3.100 2.207 1.973 2.435 . 0 0 "[ . 1 . 2]" 1
429 1 25 LEU HA 1 25 LEU MD2 . . 4.120 3.923 3.813 4.007 . 0 0 "[ . 1 . 2]" 1
430 1 25 LEU HA 1 26 SER H . . 3.240 2.182 2.144 2.259 . 0 0 "[ . 1 . 2]" 1
431 1 25 LEU HA 1 26 SER HA . . 5.500 4.385 4.374 4.404 . 0 0 "[ . 1 . 2]" 1
432 1 25 LEU HA 1 26 SER QB . . 4.320 4.165 3.989 4.311 . 0 0 "[ . 1 . 2]" 1
433 1 25 LEU QB 1 25 LEU QD . . 2.830 1.914 1.878 1.952 . 0 0 "[ . 1 . 2]" 1
434 1 25 LEU QB 1 26 SER H . . 3.890 3.658 3.500 3.769 . 0 0 "[ . 1 . 2]" 1
435 1 25 LEU QB 1 27 PHE QD . . 4.570 3.444 2.905 3.775 . 0 0 "[ . 1 . 2]" 1
436 1 25 LEU QB 1 27 PHE QE . . 4.480 3.582 3.012 4.178 . 0 0 "[ . 1 . 2]" 1
437 1 25 LEU QB 1 55 GLY H . . 4.470 2.825 2.098 3.352 . 0 0 "[ . 1 . 2]" 1
438 1 25 LEU QB 1 57 PHE HB3 . . 4.630 2.378 2.151 2.770 . 0 0 "[ . 1 . 2]" 1
439 1 25 LEU QB 1 57 PHE QD . . 3.800 2.941 2.714 3.168 . 0 0 "[ . 1 . 2]" 1
440 1 25 LEU HB2 1 26 SER H . . 4.450 4.064 3.860 4.290 . 0 0 "[ . 1 . 2]" 1
441 1 25 LEU HB2 1 57 PHE QD . . 4.390 3.650 3.203 4.183 . 0 0 "[ . 1 . 2]" 1
442 1 25 LEU HB3 1 26 SER H . . 4.450 4.158 3.862 4.327 . 0 0 "[ . 1 . 2]" 1
443 1 25 LEU HB3 1 57 PHE QD . . 4.390 3.114 2.865 3.461 . 0 0 "[ . 1 . 2]" 1
444 1 25 LEU QD 1 26 SER H . . 3.340 2.196 1.916 2.573 . 0 0 "[ . 1 . 2]" 1
445 1 25 LEU QD 1 26 SER HA . . 4.320 4.175 3.915 4.319 . 0 0 "[ . 1 . 2]" 1
446 1 25 LEU QD 1 26 SER QB . . 4.320 4.116 3.647 4.320 . 0 0 "[ . 1 . 2]" 1
447 1 25 LEU QD 1 27 PHE H . . 4.920 4.387 3.913 4.813 . 0 0 "[ . 1 . 2]" 1
448 1 25 LEU QD 1 27 PHE QB . . 4.860 3.004 2.624 3.527 . 0 0 "[ . 1 . 2]" 1
449 1 25 LEU QD 1 27 PHE QD . . 3.460 2.230 1.922 2.995 . 0 0 "[ . 1 . 2]" 1
450 1 25 LEU QD 1 27 PHE QE . . 3.970 2.959 2.555 3.425 . 0 0 "[ . 1 . 2]" 1
451 1 25 LEU QD 1 33 ILE HA . . 4.590 4.147 3.797 4.431 . 0 0 "[ . 1 . 2]" 1
452 1 25 LEU QD 1 33 ILE MD . . 3.760 3.245 2.717 3.549 . 0 0 "[ . 1 . 2]" 1
453 1 25 LEU QD 1 33 ILE HG12 . . 4.080 2.706 2.213 3.351 . 0 0 "[ . 1 . 2]" 1
454 1 25 LEU QD 1 33 ILE MG . . 3.120 2.339 1.976 2.713 . 0 0 "[ . 1 . 2]" 1
455 1 25 LEU QD 1 48 GLY H . . 4.390 3.484 3.106 3.888 . 0 0 "[ . 1 . 2]" 1
456 1 25 LEU QD 1 50 ALA H . . 3.540 2.482 2.186 2.861 . 0 0 "[ . 1 . 2]" 1
457 1 25 LEU QD 1 50 ALA MB . . 2.870 2.069 1.758 2.631 . 0 0 "[ . 1 . 2]" 1
458 1 25 LEU QD 1 53 ARG QB . . 3.610 2.981 1.991 3.608 . 0 0 "[ . 1 . 2]" 1
459 1 25 LEU QD 1 53 ARG QD . . 4.170 3.631 2.507 4.172 0.002 16 0 "[ . 1 . 2]" 1
460 1 25 LEU QD 1 54 SER HA . . 3.630 2.627 1.974 3.038 . 0 0 "[ . 1 . 2]" 1
461 1 25 LEU QD 1 54 SER QB . . 5.270 3.971 3.521 4.342 . 0 0 "[ . 1 . 2]" 1
462 1 25 LEU QD 1 55 GLY H . . 3.460 2.673 2.091 3.163 . 0 0 "[ . 1 . 2]" 1
463 1 25 LEU QD 1 55 GLY QA . . 3.860 2.988 2.458 3.386 . 0 0 "[ . 1 . 2]" 1
464 1 25 LEU QD 1 57 PHE HA . . 5.440 4.820 4.449 5.363 . 0 0 "[ . 1 . 2]" 1
465 1 25 LEU QD 1 57 PHE HB2 . . 4.960 4.015 3.590 4.590 . 0 0 "[ . 1 . 2]" 1
466 1 25 LEU QD 1 57 PHE HB3 . . 5.440 2.870 2.442 3.503 . 0 0 "[ . 1 . 2]" 1
467 1 25 LEU QD 1 57 PHE QD . . 3.580 2.421 2.063 2.810 . 0 0 "[ . 1 . 2]" 1
468 1 25 LEU QD 1 57 PHE QE . . 3.990 3.229 2.986 3.551 . 0 0 "[ . 1 . 2]" 1
469 1 25 LEU MD1 1 26 SER H . . 4.610 2.203 1.918 2.587 . 0 0 "[ . 1 . 2]" 1
470 1 25 LEU MD1 1 27 PHE QD . . 4.040 3.567 3.320 3.793 . 0 0 "[ . 1 . 2]" 1
471 1 25 LEU MD1 1 27 PHE QE . . 5.300 5.048 4.602 5.300 . 0 0 "[ . 1 . 2]" 1
472 1 25 LEU MD1 1 33 ILE MD . . 5.280 5.186 4.851 5.276 . 0 0 "[ . 1 . 2]" 1
473 1 25 LEU MD1 1 49 SER HA . . 4.000 3.104 2.548 3.679 . 0 0 "[ . 1 . 2]" 1
474 1 25 LEU MD1 1 50 ALA MB . . 3.280 2.494 1.991 3.266 . 0 0 "[ . 1 . 2]" 1
475 1 25 LEU MD1 1 54 SER HA . . 4.330 2.697 1.983 3.153 . 0 0 "[ . 1 . 2]" 1
476 1 25 LEU MD1 1 55 GLY H . . 4.040 2.871 2.257 3.374 . 0 0 "[ . 1 . 2]" 1
477 1 25 LEU MD1 1 57 PHE QD . . 4.850 4.660 4.429 4.837 . 0 0 "[ . 1 . 2]" 1
478 1 25 LEU MD2 1 26 SER H . . 4.610 4.376 4.046 4.609 . 0 0 "[ . 1 . 2]" 1
479 1 25 LEU MD2 1 27 PHE QD . . 4.040 2.270 1.934 3.269 . 0 0 "[ . 1 . 2]" 1
480 1 25 LEU MD2 1 27 PHE QE . . 5.300 2.983 2.565 3.477 . 0 0 "[ . 1 . 2]" 1
481 1 25 LEU MD2 1 33 ILE MD . . 5.280 3.281 2.731 3.609 . 0 0 "[ . 1 . 2]" 1
482 1 25 LEU MD2 1 49 SER HA . . 4.000 3.263 2.520 3.916 . 0 0 "[ . 1 . 2]" 1
483 1 25 LEU MD2 1 50 ALA MB . . 3.280 2.246 1.923 2.775 . 0 0 "[ . 1 . 2]" 1
484 1 25 LEU MD2 1 54 SER HA . . 4.330 3.737 2.696 4.304 . 0 0 "[ . 1 . 2]" 1
485 1 25 LEU MD2 1 55 GLY H . . 4.040 3.229 2.238 4.019 . 0 0 "[ . 1 . 2]" 1
486 1 25 LEU MD2 1 57 PHE QD . . 4.850 2.431 2.066 2.831 . 0 0 "[ . 1 . 2]" 1
487 1 25 LEU HG 1 26 SER H . . 4.130 2.987 2.501 3.326 . 0 0 "[ . 1 . 2]" 1
488 1 25 LEU HG 1 26 SER HA . . 5.150 3.936 3.593 4.325 . 0 0 "[ . 1 . 2]" 1
489 1 25 LEU HG 1 27 PHE QD . . 4.180 2.133 2.003 2.391 . 0 0 "[ . 1 . 2]" 1
490 1 26 SER H 1 26 SER QB . . 3.440 2.599 2.222 2.911 . 0 0 "[ . 1 . 2]" 1
491 1 26 SER H 1 27 PHE H . . 4.580 4.293 3.997 4.503 . 0 0 "[ . 1 . 2]" 1
492 1 26 SER HA 1 27 PHE H . . 3.090 2.156 2.137 2.210 . 0 0 "[ . 1 . 2]" 1
493 1 26 SER QB 1 27 PHE H . . 3.810 3.526 3.011 3.797 . 0 0 "[ . 1 . 2]" 1
494 1 27 PHE H 1 27 PHE QD . . 4.390 3.180 2.240 3.585 . 0 0 "[ . 1 . 2]" 1
495 1 27 PHE H 1 28 HIS H . . 4.780 4.405 4.344 4.463 . 0 0 "[ . 1 . 2]" 1
496 1 27 PHE HA 1 28 HIS H . . 3.420 2.424 2.264 2.626 . 0 0 "[ . 1 . 2]" 1
497 1 27 PHE QB 1 28 HIS H . . 3.340 2.380 1.993 2.739 . 0 0 "[ . 1 . 2]" 1
498 1 27 PHE QB 1 31 ASP QB . . 3.910 2.364 1.939 2.687 . 0 0 "[ . 1 . 2]" 1
499 1 27 PHE QB 1 33 ILE HG13 . . 5.340 3.878 3.036 4.294 . 0 0 "[ . 1 . 2]" 1
500 1 27 PHE HB2 1 28 HIS H . . 4.090 2.410 2.005 2.799 . 0 0 "[ . 1 . 2]" 1
501 1 27 PHE HB3 1 28 HIS H . . 4.090 3.737 3.507 3.977 . 0 0 "[ . 1 . 2]" 1
502 1 27 PHE QD 1 28 HIS H . . 4.470 3.213 2.720 4.201 . 0 0 "[ . 1 . 2]" 1
503 1 27 PHE QD 1 33 ILE MD . . 3.790 2.989 2.201 3.445 . 0 0 "[ . 1 . 2]" 1
504 1 27 PHE QD 1 33 ILE HG13 . . 4.900 4.148 3.412 4.445 . 0 0 "[ . 1 . 2]" 1
505 1 27 PHE QD 1 50 ALA MB . . 4.370 3.284 2.475 3.936 . 0 0 "[ . 1 . 2]" 1
506 1 27 PHE QD 1 57 PHE HB3 . . 4.620 3.878 3.452 4.312 . 0 0 "[ . 1 . 2]" 1
507 1 27 PHE QE 1 33 ILE MD . . 3.900 2.754 2.191 3.467 . 0 0 "[ . 1 . 2]" 1
508 1 27 PHE QE 1 33 ILE HG13 . . 5.150 4.850 4.648 5.081 . 0 0 "[ . 1 . 2]" 1
509 1 27 PHE QE 1 57 PHE HB2 . . 4.290 2.338 2.051 2.727 . 0 0 "[ . 1 . 2]" 1
510 1 27 PHE QE 1 57 PHE HB3 . . 4.160 2.409 2.073 2.910 . 0 0 "[ . 1 . 2]" 1
511 1 27 PHE QE 1 61 ILE MD . . 3.540 2.755 2.226 3.080 . 0 0 "[ . 1 . 2]" 1
512 1 27 PHE QE 1 61 ILE MG . . 5.500 5.215 5.032 5.400 . 0 0 "[ . 1 . 2]" 1
513 1 27 PHE QE 1 62 VAL MG1 . . 4.120 3.266 2.448 3.569 . 0 0 "[ . 1 . 2]" 1
514 1 27 PHE QE 1 62 VAL MG2 . . 5.500 5.154 4.548 5.390 . 0 0 "[ . 1 . 2]" 1
515 1 27 PHE HZ 1 33 ILE MD . . 4.250 3.394 2.957 4.237 . 0 0 "[ . 1 . 2]" 1
516 1 27 PHE HZ 1 33 ILE HG12 . . 5.500 5.322 4.873 5.498 . 0 0 "[ . 1 . 2]" 1
517 1 27 PHE HZ 1 57 PHE HB2 . . 4.460 3.172 2.217 3.719 . 0 0 "[ . 1 . 2]" 1
518 1 27 PHE HZ 1 57 PHE HB3 . . 4.880 4.289 3.349 4.842 . 0 0 "[ . 1 . 2]" 1
519 1 27 PHE HZ 1 57 PHE QD . . 4.690 3.367 2.700 3.831 . 0 0 "[ . 1 . 2]" 1
520 1 27 PHE HZ 1 61 ILE MD . . 3.360 2.071 1.986 2.365 . 0 0 "[ . 1 . 2]" 1
521 1 27 PHE HZ 1 61 ILE QG . . 4.300 2.745 2.490 3.231 . 0 0 "[ . 1 . 2]" 1
522 1 27 PHE HZ 1 61 ILE MG . . 4.830 4.789 4.629 4.831 0.001 8 0 "[ . 1 . 2]" 1
523 1 27 PHE HZ 1 62 VAL MG1 . . 3.880 2.912 2.634 3.446 . 0 0 "[ . 1 . 2]" 1
524 1 27 PHE HZ 1 62 VAL MG2 . . 5.500 4.987 4.687 5.297 . 0 0 "[ . 1 . 2]" 1
525 1 28 HIS H 1 28 HIS QB . . 3.520 2.444 2.223 2.752 . 0 0 "[ . 1 . 2]" 1
526 1 28 HIS H 1 29 ARG H . . 5.500 4.488 4.423 4.560 . 0 0 "[ . 1 . 2]" 1
527 1 28 HIS H 1 31 ASP H . . 4.750 4.323 3.765 4.663 . 0 0 "[ . 1 . 2]" 1
528 1 28 HIS H 1 31 ASP HB2 . . 4.280 2.741 2.276 3.016 . 0 0 "[ . 1 . 2]" 1
529 1 28 HIS H 1 31 ASP HB3 . . 4.280 3.271 2.687 3.846 . 0 0 "[ . 1 . 2]" 1
530 1 28 HIS QB 1 29 ARG H . . 4.080 2.263 1.919 2.962 . 0 0 "[ . 1 . 2]" 1
531 1 28 HIS HB2 1 29 ARG H . . 4.750 3.543 3.063 4.125 . 0 0 "[ . 1 . 2]" 1
532 1 28 HIS HB3 1 29 ARG H . . 4.750 2.294 1.930 3.036 . 0 0 "[ . 1 . 2]" 1
533 1 29 ARG H 1 29 ARG HB2 . . 4.010 3.199 2.552 3.632 . 0 0 "[ . 1 . 2]" 1
534 1 29 ARG H 1 29 ARG HB3 . . 4.010 2.432 2.210 2.626 . 0 0 "[ . 1 . 2]" 1
535 1 29 ARG H 1 29 ARG QD . . 4.880 4.056 3.202 4.647 . 0 0 "[ . 1 . 2]" 1
536 1 29 ARG HA 1 29 ARG QG . . 3.920 3.012 2.429 3.343 . 0 0 "[ . 1 . 2]" 1
537 1 29 ARG HA 1 30 GLY H . . 3.130 2.188 2.144 2.248 . 0 0 "[ . 1 . 2]" 1
538 1 29 ARG HA 1 30 GLY HA3 . . 4.530 4.427 4.384 4.470 . 0 0 "[ . 1 . 2]" 1
539 1 29 ARG HA 1 31 ASP H . . 4.160 3.599 3.229 4.163 0.003 16 0 "[ . 1 . 2]" 1
540 1 29 ARG QG 1 30 GLY H . . 3.910 3.457 2.324 3.909 . 0 0 "[ . 1 . 2]" 1
541 1 29 ARG QG 1 30 GLY HA2 . . 5.290 4.255 3.433 4.754 . 0 0 "[ . 1 . 2]" 1
542 1 29 ARG QG 1 30 GLY HA3 . . 4.240 3.621 3.244 3.799 . 0 0 "[ . 1 . 2]" 1
543 1 30 GLY H 1 31 ASP H . . 3.780 2.746 2.020 3.268 . 0 0 "[ . 1 . 2]" 1
544 1 31 ASP H 1 31 ASP HB2 . . 4.000 2.373 2.181 2.726 . 0 0 "[ . 1 . 2]" 1
545 1 31 ASP H 1 31 ASP QB . . 3.370 2.260 2.128 2.495 . 0 0 "[ . 1 . 2]" 1
546 1 31 ASP H 1 31 ASP HB3 . . 4.000 3.048 2.474 3.560 . 0 0 "[ . 1 . 2]" 1
547 1 31 ASP HA 1 32 LEU H . . 2.950 2.194 2.140 2.353 . 0 0 "[ . 1 . 2]" 1
548 1 31 ASP HA 1 32 LEU HB2 . . 5.050 4.678 4.152 4.940 . 0 0 "[ . 1 . 2]" 1
549 1 31 ASP HA 1 32 LEU QB . . 4.200 4.063 3.952 4.099 . 0 0 "[ . 1 . 2]" 1
550 1 31 ASP HA 1 32 LEU HB3 . . 5.050 4.497 4.361 4.960 . 0 0 "[ . 1 . 2]" 1
551 1 31 ASP HA 1 32 LEU QD . . 5.440 5.173 4.970 5.272 . 0 0 "[ . 1 . 2]" 1
552 1 31 ASP QB 1 32 LEU H . . 3.990 3.738 3.060 4.004 0.014 12 0 "[ . 1 . 2]" 1
553 1 31 ASP HB2 1 32 LEU H . . 4.800 4.484 4.102 4.668 . 0 0 "[ . 1 . 2]" 1
554 1 31 ASP HB3 1 32 LEU H . . 4.800 4.023 3.136 4.358 . 0 0 "[ . 1 . 2]" 1
555 1 32 LEU H 1 32 LEU HB2 . . 3.800 2.631 2.241 2.979 . 0 0 "[ . 1 . 2]" 1
556 1 32 LEU H 1 32 LEU QB . . 3.120 2.229 2.155 2.350 . 0 0 "[ . 1 . 2]" 1
557 1 32 LEU H 1 32 LEU HB3 . . 3.800 2.447 2.249 2.801 . 0 0 "[ . 1 . 2]" 1
558 1 32 LEU H 1 32 LEU MD1 . . 4.410 4.208 3.912 4.378 . 0 0 "[ . 1 . 2]" 1
559 1 32 LEU H 1 32 LEU QD . . 3.870 3.675 3.478 3.818 . 0 0 "[ . 1 . 2]" 1
560 1 32 LEU H 1 32 LEU MD2 . . 4.410 4.068 3.697 4.298 . 0 0 "[ . 1 . 2]" 1
561 1 32 LEU H 1 32 LEU HG . . 4.610 4.439 4.257 4.534 . 0 0 "[ . 1 . 2]" 1
562 1 32 LEU H 1 33 ILE H . . 4.730 4.486 4.372 4.612 . 0 0 "[ . 1 . 2]" 1
563 1 32 LEU HA 1 32 LEU QD . . 3.800 2.746 1.972 3.190 . 0 0 "[ . 1 . 2]" 1
564 1 32 LEU HA 1 32 LEU HG . . 3.790 2.808 2.344 3.125 . 0 0 "[ . 1 . 2]" 1
565 1 32 LEU HA 1 33 ILE H . . 3.180 2.155 2.139 2.211 . 0 0 "[ . 1 . 2]" 1
566 1 32 LEU QB 1 32 LEU QD . . 2.680 1.826 1.746 1.936 . 0 0 "[ . 1 . 2]" 1
567 1 32 LEU QB 1 33 ILE H . . 3.890 3.771 3.564 3.892 0.002 16 0 "[ . 1 . 2]" 1
568 1 32 LEU HB2 1 32 LEU MD1 . . 3.550 2.129 1.980 2.357 . 0 0 "[ . 1 . 2]" 1
569 1 32 LEU HB2 1 32 LEU MD2 . . 3.550 2.866 2.440 3.183 . 0 0 "[ . 1 . 2]" 1
570 1 32 LEU HB2 1 33 ILE H . . 4.530 4.212 3.866 4.381 . 0 0 "[ . 1 . 2]" 1
571 1 32 LEU HB3 1 32 LEU MD1 . . 3.550 2.861 2.417 3.182 . 0 0 "[ . 1 . 2]" 1
572 1 32 LEU HB3 1 32 LEU MD2 . . 3.550 2.111 1.998 2.282 . 0 0 "[ . 1 . 2]" 1
573 1 32 LEU HB3 1 33 ILE H . . 4.530 4.270 3.882 4.461 . 0 0 "[ . 1 . 2]" 1
574 1 32 LEU QD 1 33 ILE H . . 3.740 3.019 2.170 3.563 . 0 0 "[ . 1 . 2]" 1
575 1 32 LEU QD 1 34 LYS H . . 4.820 3.810 2.578 4.676 . 0 0 "[ . 1 . 2]" 1
576 1 32 LEU QD 1 68 PRO QB . . 4.040 3.730 3.169 4.048 0.008 16 0 "[ . 1 . 2]" 1
577 1 32 LEU QD 1 68 PRO QG . . 3.930 3.198 2.623 3.930 . 0 0 "[ . 1 . 2]" 1
578 1 32 LEU MD1 1 68 PRO QD . . 4.250 3.351 2.647 4.224 . 0 0 "[ . 1 . 2]" 1
579 1 32 LEU MD2 1 68 PRO QD . . 4.250 3.556 2.158 4.245 . 0 0 "[ . 1 . 2]" 1
580 1 32 LEU HG 1 33 ILE H . . 4.340 3.049 2.434 3.458 . 0 0 "[ . 1 . 2]" 1
581 1 33 ILE H 1 33 ILE HB . . 3.630 2.557 2.448 2.671 . 0 0 "[ . 1 . 2]" 1
582 1 33 ILE H 1 33 ILE MD . . 3.690 3.017 1.899 3.641 . 0 0 "[ . 1 . 2]" 1
583 1 33 ILE H 1 33 ILE HG12 . . 4.460 3.973 3.631 4.249 . 0 0 "[ . 1 . 2]" 1
584 1 33 ILE H 1 33 ILE HG13 . . 4.310 2.745 2.130 3.533 . 0 0 "[ . 1 . 2]" 1
585 1 33 ILE H 1 33 ILE MG . . 4.530 3.807 3.761 3.848 . 0 0 "[ . 1 . 2]" 1
586 1 33 ILE H 1 50 ALA MB . . 5.190 4.622 4.307 5.038 . 0 0 "[ . 1 . 2]" 1
587 1 33 ILE H 1 62 VAL MG1 . . 5.500 5.048 4.745 5.359 . 0 0 "[ . 1 . 2]" 1
588 1 33 ILE HA 1 33 ILE MD . . 4.370 3.726 3.241 3.949 . 0 0 "[ . 1 . 2]" 1
589 1 33 ILE HA 1 33 ILE HG12 . . 4.150 3.027 2.752 3.573 . 0 0 "[ . 1 . 2]" 1
590 1 33 ILE HA 1 33 ILE HG13 . . 4.010 2.637 2.289 2.860 . 0 0 "[ . 1 . 2]" 1
591 1 33 ILE HA 1 33 ILE MG . . 3.520 2.347 2.274 2.453 . 0 0 "[ . 1 . 2]" 1
592 1 33 ILE HA 1 34 LYS H . . 3.220 2.158 2.139 2.265 . 0 0 "[ . 1 . 2]" 1
593 1 33 ILE HA 1 50 ALA MB . . 3.430 2.705 2.105 3.139 . 0 0 "[ . 1 . 2]" 1
594 1 33 ILE HB 1 33 ILE MD . . 3.300 2.189 2.100 2.312 . 0 0 "[ . 1 . 2]" 1
595 1 33 ILE HB 1 34 LYS H . . 4.780 4.250 3.862 4.421 . 0 0 "[ . 1 . 2]" 1
596 1 33 ILE MD 1 33 ILE MG . . 3.190 2.616 2.243 3.175 . 0 0 "[ . 1 . 2]" 1
597 1 33 ILE MD 1 34 LYS H . . 5.500 5.243 4.890 5.496 . 0 0 "[ . 1 . 2]" 1
598 1 33 ILE MD 1 50 ALA MB . . 3.700 3.549 3.312 3.701 0.001 20 0 "[ . 1 . 2]" 1
599 1 33 ILE MD 1 57 PHE QD . . 4.340 3.467 2.996 4.140 . 0 0 "[ . 1 . 2]" 1
600 1 33 ILE MD 1 57 PHE QE . . 4.170 3.033 2.382 3.694 . 0 0 "[ . 1 . 2]" 1
601 1 33 ILE MD 1 57 PHE HZ . . 4.200 3.612 2.939 4.168 . 0 0 "[ . 1 . 2]" 1
602 1 33 ILE MD 1 62 VAL MG1 . . 3.060 2.226 1.920 2.721 . 0 0 "[ . 1 . 2]" 1
603 1 33 ILE MD 1 62 VAL MG2 . . 4.250 3.792 3.324 4.246 . 0 0 "[ . 1 . 2]" 1
604 1 33 ILE MD 1 63 GLN H . . 5.500 5.282 4.943 5.490 . 0 0 "[ . 1 . 2]" 1
605 1 33 ILE HG12 1 33 ILE MG . . 3.400 2.115 2.000 2.255 . 0 0 "[ . 1 . 2]" 1
606 1 33 ILE HG12 1 50 ALA MB . . 3.420 2.527 2.034 3.397 . 0 0 "[ . 1 . 2]" 1
607 1 33 ILE HG13 1 34 LYS H . . 4.900 4.713 4.199 4.895 . 0 0 "[ . 1 . 2]" 1
608 1 33 ILE HG13 1 50 ALA MB . . 3.450 2.868 1.956 3.405 . 0 0 "[ . 1 . 2]" 1
609 1 33 ILE MG 1 34 LYS H . . 3.530 2.709 2.116 3.201 . 0 0 "[ . 1 . 2]" 1
610 1 33 ILE MG 1 35 LEU H . . 4.740 4.517 3.905 4.725 . 0 0 "[ . 1 . 2]" 1
611 1 33 ILE MG 1 35 LEU QD . . 3.550 3.144 2.844 3.447 . 0 0 "[ . 1 . 2]" 1
612 1 33 ILE MG 1 48 GLY HA2 . . 4.300 4.035 3.379 4.272 . 0 0 "[ . 1 . 2]" 1
613 1 33 ILE MG 1 48 GLY QA . . 3.570 2.625 2.005 2.874 . 0 0 "[ . 1 . 2]" 1
614 1 33 ILE MG 1 48 GLY HA3 . . 4.300 2.660 2.020 2.923 . 0 0 "[ . 1 . 2]" 1
615 1 33 ILE MG 1 49 SER H . . 3.430 3.148 2.920 3.345 . 0 0 "[ . 1 . 2]" 1
616 1 33 ILE MG 1 50 ALA MB . . 3.420 2.768 2.180 3.311 . 0 0 "[ . 1 . 2]" 1
617 1 33 ILE MG 1 57 PHE QD . . 4.260 3.474 3.050 3.919 . 0 0 "[ . 1 . 2]" 1
618 1 33 ILE MG 1 57 PHE QE . . 3.560 2.403 1.950 2.788 . 0 0 "[ . 1 . 2]" 1
619 1 33 ILE MG 1 57 PHE HZ . . 3.760 2.429 2.085 2.934 . 0 0 "[ . 1 . 2]" 1
620 1 34 LYS H 1 34 LYS HB2 . . 3.630 2.498 2.308 2.938 . 0 0 "[ . 1 . 2]" 1
621 1 34 LYS H 1 34 LYS HB3 . . 3.630 2.642 2.365 2.834 . 0 0 "[ . 1 . 2]" 1
622 1 34 LYS H 1 34 LYS QD . . 4.880 4.514 4.272 4.882 0.002 16 0 "[ . 1 . 2]" 1
623 1 34 LYS H 1 34 LYS QG . . 4.380 3.955 3.902 4.007 . 0 0 "[ . 1 . 2]" 1
624 1 34 LYS H 1 49 SER H . . 3.940 3.426 2.945 3.661 . 0 0 "[ . 1 . 2]" 1
625 1 34 LYS H 1 50 ALA MB . . 4.560 3.939 3.384 4.493 . 0 0 "[ . 1 . 2]" 1
626 1 34 LYS HA 1 34 LYS QD . . 4.430 3.781 3.102 4.074 . 0 0 "[ . 1 . 2]" 1
627 1 34 LYS HA 1 34 LYS HG2 . . 4.110 2.898 2.192 3.507 . 0 0 "[ . 1 . 2]" 1
628 1 34 LYS HA 1 34 LYS QG . . 3.530 2.355 2.170 2.512 . 0 0 "[ . 1 . 2]" 1
629 1 34 LYS HA 1 34 LYS HG3 . . 4.110 2.712 2.229 3.518 . 0 0 "[ . 1 . 2]" 1
630 1 34 LYS HA 1 35 LEU H . . 3.230 2.158 2.143 2.206 . 0 0 "[ . 1 . 2]" 1
631 1 34 LYS HA 1 49 SER H . . 5.360 4.813 4.653 5.206 . 0 0 "[ . 1 . 2]" 1
632 1 34 LYS QB 1 34 LYS QE . . 4.440 3.000 2.135 3.627 . 0 0 "[ . 1 . 2]" 1
633 1 34 LYS HB2 1 49 SER H . . 4.550 4.418 4.005 4.548 . 0 0 "[ . 1 . 2]" 1
634 1 34 LYS HB3 1 49 SER H . . 4.550 2.959 2.693 3.368 . 0 0 "[ . 1 . 2]" 1
635 1 34 LYS QD 1 35 LEU H . . 4.780 4.369 2.416 4.780 . 0 0 "[ . 1 . 2]" 1
636 1 34 LYS QD 1 36 LEU MD2 . . 4.000 3.201 2.046 3.986 . 0 0 "[ . 1 . 2]" 1
637 1 34 LYS QD 1 49 SER H . . 5.500 4.738 3.930 5.497 . 0 0 "[ . 1 . 2]" 1
638 1 34 LYS QE 1 34 LYS QG . . 3.430 2.211 2.080 2.350 . 0 0 "[ . 1 . 2]" 1
639 1 34 LYS QE 1 36 LEU MD2 . . 3.680 2.916 1.970 3.563 . 0 0 "[ . 1 . 2]" 1
640 1 34 LYS HG2 1 35 LEU H . . 4.350 3.138 2.545 4.004 . 0 0 "[ . 1 . 2]" 1
641 1 34 LYS HG3 1 35 LEU H . . 4.350 3.512 2.802 4.333 . 0 0 "[ . 1 . 2]" 1
642 1 35 LEU H 1 35 LEU HB2 . . 3.850 2.359 2.190 2.480 . 0 0 "[ . 1 . 2]" 1
643 1 35 LEU H 1 35 LEU QB . . 3.290 2.328 2.169 2.441 . 0 0 "[ . 1 . 2]" 1
644 1 35 LEU H 1 35 LEU HB3 . . 3.850 3.577 3.499 3.631 . 0 0 "[ . 1 . 2]" 1
645 1 35 LEU H 1 35 LEU MD1 . . 3.870 3.754 3.597 3.862 . 0 0 "[ . 1 . 2]" 1
646 1 35 LEU H 1 35 LEU QD . . 3.300 2.946 2.010 3.294 . 0 0 "[ . 1 . 2]" 1
647 1 35 LEU H 1 35 LEU MD2 . . 3.870 3.171 2.019 3.726 . 0 0 "[ . 1 . 2]" 1
648 1 35 LEU H 1 35 LEU HG . . 4.340 2.914 2.386 4.147 . 0 0 "[ . 1 . 2]" 1
649 1 35 LEU HA 1 35 LEU MD1 . . 4.100 3.385 1.946 3.893 . 0 0 "[ . 1 . 2]" 1
650 1 35 LEU HA 1 35 LEU QD . . 3.310 1.991 1.903 2.093 . 0 0 "[ . 1 . 2]" 1
651 1 35 LEU HA 1 35 LEU MD2 . . 4.100 2.175 1.957 2.719 . 0 0 "[ . 1 . 2]" 1
652 1 35 LEU HA 1 36 LEU H . . 3.130 2.177 2.140 2.298 . 0 0 "[ . 1 . 2]" 1
653 1 35 LEU HA 1 36 LEU HG . . 4.420 4.189 3.967 4.385 . 0 0 "[ . 1 . 2]" 1
654 1 35 LEU QB 1 35 LEU QD . . 2.610 1.953 1.886 2.062 . 0 0 "[ . 1 . 2]" 1
655 1 35 LEU QB 1 36 LEU H . . 3.990 3.532 3.222 3.788 . 0 0 "[ . 1 . 2]" 1
656 1 35 LEU HB2 1 35 LEU MD1 . . 3.600 2.509 2.124 3.191 . 0 0 "[ . 1 . 2]" 1
657 1 35 LEU HB2 1 35 LEU MD2 . . 3.600 2.980 2.335 3.195 . 0 0 "[ . 1 . 2]" 1
658 1 35 LEU HB3 1 35 LEU MD1 . . 3.600 2.363 2.253 2.496 . 0 0 "[ . 1 . 2]" 1
659 1 35 LEU HB3 1 35 LEU MD2 . . 3.600 2.563 2.317 3.195 . 0 0 "[ . 1 . 2]" 1
660 1 35 LEU QD 1 36 LEU H . . 3.830 3.514 2.989 3.829 . 0 0 "[ . 1 . 2]" 1
661 1 35 LEU QD 1 46 GLN HA . . 5.370 4.393 3.957 4.808 . 0 0 "[ . 1 . 2]" 1
662 1 35 LEU QD 1 46 GLN HB3 . . 3.810 3.128 2.664 3.616 . 0 0 "[ . 1 . 2]" 1
663 1 35 LEU QD 1 46 GLN QE . . 2.970 2.252 1.818 2.710 . 0 0 "[ . 1 . 2]" 1
664 1 35 LEU QD 1 46 GLN QG . . 4.360 3.579 3.125 3.941 . 0 0 "[ . 1 . 2]" 1
665 1 35 LEU QD 1 48 GLY QA . . 5.280 3.368 3.153 3.805 . 0 0 "[ . 1 . 2]" 1
666 1 35 LEU QD 1 57 PHE QE . . 3.810 3.446 3.080 3.805 . 0 0 "[ . 1 . 2]" 1
667 1 35 LEU QD 1 57 PHE HZ . . 3.790 2.647 2.227 3.182 . 0 0 "[ . 1 . 2]" 1
668 1 35 LEU MD1 1 46 GLN HE21 . . 3.990 3.312 1.888 3.990 . 20 0 "[ . 1 . 2]" 1
669 1 35 LEU MD1 1 46 GLN HE22 . . 3.990 3.000 2.155 3.796 . 0 0 "[ . 1 . 2]" 1
670 1 35 LEU MD2 1 46 GLN HE21 . . 3.990 3.169 2.203 3.985 . 0 0 "[ . 1 . 2]" 1
671 1 35 LEU MD2 1 46 GLN HE22 . . 3.990 2.888 1.910 3.930 . 0 0 "[ . 1 . 2]" 1
672 1 36 LEU H 1 36 LEU QB . . 3.500 2.379 2.277 2.523 . 0 0 "[ . 1 . 2]" 1
673 1 36 LEU H 1 36 LEU MD1 . . 4.110 3.601 3.231 3.894 . 0 0 "[ . 1 . 2]" 1
674 1 36 LEU H 1 36 LEU MD2 . . 3.880 3.700 3.423 3.878 . 0 0 "[ . 1 . 2]" 1
675 1 36 LEU H 1 36 LEU HG . . 4.640 2.562 2.130 2.913 . 0 0 "[ . 1 . 2]" 1
676 1 36 LEU H 1 48 GLY HA2 . . 4.100 2.194 1.901 2.611 . 0 0 "[ . 1 . 2]" 1
677 1 36 LEU H 1 48 GLY QA . . 3.420 2.133 1.874 2.514 . 0 0 "[ . 1 . 2]" 1
678 1 36 LEU H 1 48 GLY HA3 . . 4.100 2.964 2.620 3.371 . 0 0 "[ . 1 . 2]" 1
679 1 36 LEU HA 1 36 LEU MD1 . . 4.170 3.889 3.842 3.948 . 0 0 "[ . 1 . 2]" 1
680 1 36 LEU HA 1 36 LEU MD2 . . 3.170 2.142 2.006 2.509 . 0 0 "[ . 1 . 2]" 1
681 1 36 LEU HA 1 37 PRO HD2 . . 3.490 2.362 2.258 2.432 . 0 0 "[ . 1 . 2]" 1
682 1 36 LEU HA 1 37 PRO HD3 . . 3.490 2.288 2.261 2.313 . 0 0 "[ . 1 . 2]" 1
683 1 36 LEU HA 1 37 PRO HG2 . . 4.870 4.482 4.398 4.540 . 0 0 "[ . 1 . 2]" 1
684 1 36 LEU HA 1 37 PRO QG . . 4.150 3.979 3.917 4.023 . 0 0 "[ . 1 . 2]" 1
685 1 36 LEU HA 1 37 PRO HG3 . . 4.870 4.451 4.395 4.492 . 0 0 "[ . 1 . 2]" 1
686 1 36 LEU QB 1 36 LEU MD1 . . 3.040 2.062 2.005 2.098 . 0 0 "[ . 1 . 2]" 1
687 1 36 LEU QB 1 37 PRO HD2 . . 3.710 2.082 1.991 2.337 . 0 0 "[ . 1 . 2]" 1
688 1 36 LEU QB 1 37 PRO HD3 . . 3.710 3.433 3.363 3.629 . 0 0 "[ . 1 . 2]" 1
689 1 36 LEU QB 1 47 PHE QD . . 3.780 2.686 2.003 3.044 . 0 0 "[ . 1 . 2]" 1
690 1 36 LEU QB 1 47 PHE QE . . 4.350 2.837 1.902 3.540 . 0 0 "[ . 1 . 2]" 1
691 1 36 LEU QB 1 48 GLY HA2 . . 4.450 2.525 2.018 2.831 . 0 0 "[ . 1 . 2]" 1
692 1 36 LEU QB 1 48 GLY HA3 . . 4.450 4.095 3.677 4.445 . 0 0 "[ . 1 . 2]" 1
693 1 36 LEU MD1 1 47 PHE QD . . 3.940 3.630 3.184 3.929 . 0 0 "[ . 1 . 2]" 1
694 1 36 LEU MD1 1 47 PHE QE . . 3.710 2.819 2.136 3.215 . 0 0 "[ . 1 . 2]" 1
695 1 36 LEU MD1 1 47 PHE HZ . . 4.320 3.398 2.749 4.172 . 0 0 "[ . 1 . 2]" 1
696 1 36 LEU MD1 1 48 GLY HA2 . . 4.490 2.431 2.013 2.813 . 0 0 "[ . 1 . 2]" 1
697 1 36 LEU MD1 1 48 GLY QA . . 3.860 2.402 1.999 2.766 . 0 0 "[ . 1 . 2]" 1
698 1 36 LEU MD1 1 48 GLY HA3 . . 4.490 3.768 3.395 4.111 . 0 0 "[ . 1 . 2]" 1
699 1 36 LEU MD1 1 49 SER H . . 4.330 2.994 2.543 3.499 . 0 0 "[ . 1 . 2]" 1
700 1 36 LEU MD1 1 49 SER HA . . 4.450 3.509 2.941 4.177 . 0 0 "[ . 1 . 2]" 1
701 1 36 LEU MD1 1 49 SER HB2 . . 3.670 2.700 2.048 3.628 . 0 0 "[ . 1 . 2]" 1
702 1 36 LEU MD1 1 49 SER QB . . 3.150 2.180 1.877 2.623 . 0 0 "[ . 1 . 2]" 1
703 1 36 LEU MD1 1 49 SER HB3 . . 3.670 2.823 1.888 3.670 0.000 20 0 "[ . 1 . 2]" 1
704 1 36 LEU MD1 1 54 SER HA . . 5.030 3.927 3.448 4.364 . 0 0 "[ . 1 . 2]" 1
705 1 36 LEU MD1 1 54 SER QB . . 4.010 2.870 2.201 3.765 . 0 0 "[ . 1 . 2]" 1
706 1 36 LEU MD2 1 37 PRO HD2 . . 3.560 2.369 2.058 2.798 . 0 0 "[ . 1 . 2]" 1
707 1 36 LEU MD2 1 37 PRO QD . . 3.100 2.296 2.022 2.671 . 0 0 "[ . 1 . 2]" 1
708 1 36 LEU MD2 1 37 PRO HD3 . . 3.560 3.102 2.757 3.380 . 0 0 "[ . 1 . 2]" 1
709 1 36 LEU MD2 1 37 PRO QG . . 4.450 3.856 3.574 4.277 . 0 0 "[ . 1 . 2]" 1
710 1 36 LEU MD2 1 48 GLY QA . . 4.390 3.789 3.616 4.015 . 0 0 "[ . 1 . 2]" 1
711 1 36 LEU MD2 1 49 SER H . . 4.490 3.774 3.164 4.273 . 0 0 "[ . 1 . 2]" 1
712 1 36 LEU MD2 1 49 SER HB2 . . 4.310 3.685 2.687 4.310 . 0 0 "[ . 1 . 2]" 1
713 1 36 LEU MD2 1 49 SER QB . . 3.500 3.037 2.543 3.362 . 0 0 "[ . 1 . 2]" 1
714 1 36 LEU MD2 1 49 SER HB3 . . 4.310 3.444 2.575 4.287 . 0 0 "[ . 1 . 2]" 1
715 1 36 LEU HG 1 48 GLY HA2 . . 4.440 2.285 2.028 2.615 . 0 0 "[ . 1 . 2]" 1
716 1 36 LEU HG 1 48 GLY QA . . 3.820 2.258 2.012 2.572 . 0 0 "[ . 1 . 2]" 1
717 1 36 LEU HG 1 48 GLY HA3 . . 4.440 3.569 3.142 3.908 . 0 0 "[ . 1 . 2]" 1
718 1 36 LEU HG 1 49 SER H . . 4.670 2.660 2.068 3.121 . 0 0 "[ . 1 . 2]" 1
719 1 37 PRO HA 1 38 VAL H . . 2.790 2.196 2.153 2.285 . 0 0 "[ . 1 . 2]" 1
720 1 37 PRO HA 1 38 VAL HA . . 4.540 4.413 4.397 4.458 . 0 0 "[ . 1 . 2]" 1
721 1 37 PRO HA 1 38 VAL MG1 . . 4.020 3.683 3.443 3.912 . 0 0 "[ . 1 . 2]" 1
722 1 37 PRO QB 1 38 VAL H . . 3.910 3.605 3.283 3.795 . 0 0 "[ . 1 . 2]" 1
723 1 37 PRO HB2 1 38 VAL H . . 4.500 3.893 3.498 4.123 . 0 0 "[ . 1 . 2]" 1
724 1 37 PRO HB3 1 38 VAL H . . 4.500 4.259 3.977 4.436 . 0 0 "[ . 1 . 2]" 1
725 1 38 VAL H 1 38 VAL HB . . 3.930 3.184 2.919 3.435 . 0 0 "[ . 1 . 2]" 1
726 1 38 VAL H 1 38 VAL MG1 . . 3.380 1.975 1.879 2.225 . 0 0 "[ . 1 . 2]" 1
727 1 38 VAL H 1 38 VAL MG2 . . 4.020 3.830 3.713 3.885 . 0 0 "[ . 1 . 2]" 1
728 1 38 VAL HA 1 38 VAL MG2 . . 3.300 2.400 2.314 2.517 . 0 0 "[ . 1 . 2]" 1
729 1 38 VAL HA 1 39 ALA MB . . 4.150 3.977 3.903 4.051 . 0 0 "[ . 1 . 2]" 1
730 1 38 VAL HB 1 41 LEU QD . . 4.290 3.348 2.813 3.583 . 0 0 "[ . 1 . 2]" 1
731 1 38 VAL HB 1 47 PHE QD . . 4.490 2.304 2.023 2.737 . 0 0 "[ . 1 . 2]" 1
732 1 38 VAL MG1 1 39 ALA HA . . 4.910 4.556 4.233 4.821 . 0 0 "[ . 1 . 2]" 1
733 1 38 VAL MG1 1 40 THR H . . 4.490 4.024 3.561 4.397 . 0 0 "[ . 1 . 2]" 1
734 1 38 VAL MG1 1 40 THR HA . . 4.990 4.241 3.681 4.810 . 0 0 "[ . 1 . 2]" 1
735 1 38 VAL MG1 1 41 LEU H . . 4.780 4.534 3.919 4.770 . 0 0 "[ . 1 . 2]" 1
736 1 38 VAL MG1 1 41 LEU HA . . 5.500 4.412 4.087 5.294 . 0 0 "[ . 1 . 2]" 1
737 1 38 VAL MG1 1 41 LEU QB . . 4.110 3.427 2.912 4.110 0.000 20 0 "[ . 1 . 2]" 1
738 1 38 VAL MG1 1 41 LEU HG . . 3.640 2.132 1.937 3.105 . 0 0 "[ . 1 . 2]" 1
739 1 38 VAL MG1 1 47 PHE H . . 4.490 3.685 3.472 4.030 . 0 0 "[ . 1 . 2]" 1
740 1 38 VAL MG1 1 47 PHE HB2 . . 3.870 3.603 3.091 3.867 . 0 0 "[ . 1 . 2]" 1
741 1 38 VAL MG1 1 47 PHE HB3 . . 3.870 2.531 2.192 2.790 . 0 0 "[ . 1 . 2]" 1
742 1 38 VAL MG1 1 47 PHE QD . . 3.730 3.184 2.765 3.596 . 0 0 "[ . 1 . 2]" 1
743 1 38 VAL MG1 1 47 PHE QE . . 5.170 4.920 4.558 5.169 . 0 0 "[ . 1 . 2]" 1
744 1 38 VAL MG2 1 39 ALA HA . . 5.070 3.895 3.723 4.252 . 0 0 "[ . 1 . 2]" 1
745 1 38 VAL MG2 1 39 ALA MB . . 3.590 3.237 2.953 3.431 . 0 0 "[ . 1 . 2]" 1
746 1 38 VAL MG2 1 40 THR H . . 3.600 2.193 1.911 2.522 . 0 0 "[ . 1 . 2]" 1
747 1 38 VAL MG2 1 40 THR HA . . 4.650 3.665 3.285 3.974 . 0 0 "[ . 1 . 2]" 1
748 1 38 VAL MG2 1 40 THR HB . . 4.840 4.764 4.636 4.838 . 0 0 "[ . 1 . 2]" 1
749 1 38 VAL MG2 1 41 LEU H . . 4.970 4.258 3.860 4.524 . 0 0 "[ . 1 . 2]" 1
750 1 38 VAL MG2 1 41 LEU HA . . 4.440 3.675 3.316 4.200 . 0 0 "[ . 1 . 2]" 1
751 1 38 VAL MG2 1 41 LEU QB . . 4.030 3.924 3.556 4.031 0.001 20 0 "[ . 1 . 2]" 1
752 1 38 VAL MG2 1 41 LEU MD1 . . 3.360 3.133 1.907 3.347 . 0 0 "[ . 1 . 2]" 1
753 1 38 VAL MG2 1 41 LEU QD . . 2.880 2.398 1.873 2.706 . 0 0 "[ . 1 . 2]" 1
754 1 38 VAL MG2 1 41 LEU MD2 . . 3.360 2.560 2.116 2.955 . 0 0 "[ . 1 . 2]" 1
755 1 38 VAL MG2 1 41 LEU HG . . 3.580 2.237 1.989 2.374 . 0 0 "[ . 1 . 2]" 1
756 1 38 VAL MG2 1 47 PHE H . . 5.500 5.155 4.866 5.393 . 0 0 "[ . 1 . 2]" 1
757 1 38 VAL MG2 1 47 PHE HB2 . . 4.000 3.631 3.206 3.991 . 0 0 "[ . 1 . 2]" 1
758 1 38 VAL MG2 1 47 PHE QB . . 3.460 3.137 2.789 3.409 . 0 0 "[ . 1 . 2]" 1
759 1 38 VAL MG2 1 47 PHE HB3 . . 4.000 3.440 3.066 3.720 . 0 0 "[ . 1 . 2]" 1
760 1 38 VAL MG2 1 47 PHE QD . . 3.880 3.537 3.114 3.877 . 0 0 "[ . 1 . 2]" 1
761 1 38 VAL MG2 1 47 PHE QE . . 5.460 4.462 4.061 4.924 . 0 0 "[ . 1 . 2]" 1
762 1 39 ALA MB 1 40 THR H . . 3.620 2.315 2.158 2.525 . 0 0 "[ . 1 . 2]" 1
763 1 39 ALA MB 1 40 THR HA . . 4.290 4.087 3.971 4.259 . 0 0 "[ . 1 . 2]" 1
764 1 39 ALA MB 1 40 THR HB . . 4.210 3.411 3.188 3.631 . 0 0 "[ . 1 . 2]" 1
765 1 39 ALA MB 1 40 THR MG . . 3.410 2.994 2.413 3.345 . 0 0 "[ . 1 . 2]" 1
766 1 40 THR H 1 40 THR HB . . 3.940 3.193 2.918 3.490 . 0 0 "[ . 1 . 2]" 1
767 1 40 THR H 1 40 THR MG . . 3.860 2.330 2.036 2.634 . 0 0 "[ . 1 . 2]" 1
768 1 40 THR HA 1 40 THR MG . . 3.350 3.196 3.180 3.206 . 0 0 "[ . 1 . 2]" 1
769 1 40 THR HA 1 41 LEU H . . 3.120 2.276 2.163 2.391 . 0 0 "[ . 1 . 2]" 1
770 1 40 THR HB 1 41 LEU H . . 4.290 3.998 3.849 4.179 . 0 0 "[ . 1 . 2]" 1
771 1 40 THR MG 1 41 LEU H . . 4.100 3.582 3.258 4.057 . 0 0 "[ . 1 . 2]" 1
772 1 41 LEU H 1 41 LEU HB2 . . 3.810 2.640 2.500 2.820 . 0 0 "[ . 1 . 2]" 1
773 1 41 LEU H 1 41 LEU QB . . 3.300 2.585 2.458 2.751 . 0 0 "[ . 1 . 2]" 1
774 1 41 LEU H 1 41 LEU HB3 . . 3.810 3.704 3.614 3.822 0.012 20 0 "[ . 1 . 2]" 1
775 1 41 LEU H 1 41 LEU MD1 . . 4.540 4.151 1.871 4.503 . 0 0 "[ . 1 . 2]" 1
776 1 41 LEU H 1 41 LEU QD . . 3.940 3.722 1.869 3.930 . 0 0 "[ . 1 . 2]" 1
777 1 41 LEU H 1 41 LEU MD2 . . 4.540 4.314 3.986 4.439 . 0 0 "[ . 1 . 2]" 1
778 1 41 LEU H 1 41 LEU HG . . 4.480 3.693 3.287 3.878 . 0 0 "[ . 1 . 2]" 1
779 1 41 LEU H 1 42 GLU H . . 4.480 4.415 4.380 4.463 . 0 0 "[ . 1 . 2]" 1
780 1 41 LEU HA 1 41 LEU MD1 . . 3.920 3.806 3.357 3.878 . 0 0 "[ . 1 . 2]" 1
781 1 41 LEU HA 1 41 LEU QD . . 3.090 2.200 1.981 3.132 0.042 20 0 "[ . 1 . 2]" 1
782 1 41 LEU HA 1 41 LEU MD2 . . 3.920 2.243 1.987 3.749 . 0 0 "[ . 1 . 2]" 1
783 1 41 LEU HA 1 41 LEU HG . . 4.110 2.734 2.585 3.033 . 0 0 "[ . 1 . 2]" 1
784 1 41 LEU HA 1 42 GLU H . . 3.090 2.515 2.412 2.668 . 0 0 "[ . 1 . 2]" 1
785 1 41 LEU HA 1 42 GLU HB2 . . 4.680 4.492 4.362 4.693 0.013 20 0 "[ . 1 . 2]" 1
786 1 41 LEU QB 1 42 GLU H . . 3.870 2.204 1.966 2.398 . 0 0 "[ . 1 . 2]" 1
787 1 41 LEU HB2 1 42 GLU H . . 4.530 3.626 2.836 3.815 . 0 0 "[ . 1 . 2]" 1
788 1 41 LEU HB3 1 42 GLU H . . 4.530 2.225 1.977 2.424 . 0 0 "[ . 1 . 2]" 1
789 1 41 LEU QD 1 42 GLU H . . 3.660 2.563 2.290 3.687 0.027 20 0 "[ . 1 . 2]" 1
790 1 41 LEU QD 1 46 GLN HA . . 3.160 2.370 1.957 2.953 . 0 0 "[ . 1 . 2]" 1
791 1 41 LEU QD 1 46 GLN QE . . 4.720 4.351 3.866 4.687 . 0 0 "[ . 1 . 2]" 1
792 1 41 LEU QD 1 46 GLN QG . . 5.280 3.799 3.384 4.200 . 0 0 "[ . 1 . 2]" 1
793 1 41 LEU QD 1 47 PHE H . . 3.430 2.170 1.850 2.432 . 0 0 "[ . 1 . 2]" 1
794 1 41 LEU QD 1 47 PHE QB . . 3.020 1.850 1.676 2.015 . 0 0 "[ . 1 . 2]" 1
795 1 41 LEU MD1 1 42 GLU H . . 4.370 4.199 3.923 4.416 0.046 20 0 "[ . 1 . 2]" 1
796 1 41 LEU MD1 1 46 GLN HA . . 3.630 2.610 1.971 3.632 0.002 20 0 "[ . 1 . 2]" 1
797 1 41 LEU MD1 1 47 PHE H . . 4.000 2.395 1.859 3.511 . 0 0 "[ . 1 . 2]" 1
798 1 41 LEU MD1 1 47 PHE HB2 . . 4.010 3.200 2.142 3.993 . 0 0 "[ . 1 . 2]" 1
799 1 41 LEU MD1 1 47 PHE HB3 . . 4.010 2.694 2.008 3.463 . 0 0 "[ . 1 . 2]" 1
800 1 41 LEU MD2 1 42 GLU H . . 4.370 2.598 2.301 3.949 . 0 0 "[ . 1 . 2]" 1
801 1 41 LEU MD2 1 46 GLN HA . . 3.630 3.018 1.973 3.508 . 0 0 "[ . 1 . 2]" 1
802 1 41 LEU MD2 1 47 PHE H . . 4.000 2.850 2.132 3.705 . 0 0 "[ . 1 . 2]" 1
803 1 41 LEU MD2 1 47 PHE HB2 . . 4.010 2.070 1.834 2.474 . 0 0 "[ . 1 . 2]" 1
804 1 41 LEU MD2 1 47 PHE HB3 . . 4.010 2.664 1.876 3.600 . 0 0 "[ . 1 . 2]" 1
805 1 42 GLU H 1 42 GLU HB2 . . 3.760 2.234 2.184 2.283 . 0 0 "[ . 1 . 2]" 1
806 1 42 GLU H 1 42 GLU HB3 . . 3.530 3.500 3.472 3.532 0.002 9 0 "[ . 1 . 2]" 1
807 1 42 GLU H 1 42 GLU HG2 . . 4.420 4.125 3.353 4.374 . 0 0 "[ . 1 . 2]" 1
808 1 42 GLU H 1 42 GLU HG3 . . 4.420 3.786 3.106 4.396 . 0 0 "[ . 1 . 2]" 1
809 1 42 GLU H 1 45 TRP H . . 5.300 4.090 3.545 4.477 . 0 0 "[ . 1 . 2]" 1
810 1 42 GLU H 1 45 TRP HB3 . . 4.640 3.953 3.619 4.171 . 0 0 "[ . 1 . 2]" 1
811 1 42 GLU HA 1 43 PRO HD2 . . 3.410 2.471 2.360 2.549 . 0 0 "[ . 1 . 2]" 1
812 1 42 GLU HA 1 43 PRO HD3 . . 3.290 2.329 2.284 2.368 . 0 0 "[ . 1 . 2]" 1
813 1 42 GLU HA 1 43 PRO QG . . 4.560 4.047 3.976 4.098 . 0 0 "[ . 1 . 2]" 1
814 1 42 GLU HB2 1 43 PRO HD2 . . 4.030 3.654 3.548 3.832 . 0 0 "[ . 1 . 2]" 1
815 1 42 GLU HB2 1 43 PRO HD3 . . 4.980 4.719 4.646 4.831 . 0 0 "[ . 1 . 2]" 1
816 1 42 GLU HB2 1 45 TRP HD1 . . 4.080 2.609 2.085 3.124 . 0 0 "[ . 1 . 2]" 1
817 1 42 GLU HB2 1 45 TRP HE1 . . 5.130 4.707 4.219 5.034 . 0 0 "[ . 1 . 2]" 1
818 1 42 GLU HB3 1 43 PRO HD2 . . 4.120 2.105 1.988 2.359 . 0 0 "[ . 1 . 2]" 1
819 1 42 GLU HB3 1 43 PRO HD3 . . 4.310 3.533 3.431 3.743 . 0 0 "[ . 1 . 2]" 1
820 1 42 GLU HB3 1 45 TRP H . . 4.800 3.791 3.181 4.414 . 0 0 "[ . 1 . 2]" 1
821 1 42 GLU HB3 1 45 TRP HD1 . . 4.000 2.204 2.000 2.837 . 0 0 "[ . 1 . 2]" 1
822 1 42 GLU HB3 1 45 TRP HE1 . . 5.000 4.252 3.626 4.989 . 0 0 "[ . 1 . 2]" 1
823 1 42 GLU QG 1 43 PRO HD2 . . 3.610 2.566 2.344 3.073 . 0 0 "[ . 1 . 2]" 1
824 1 42 GLU QG 1 43 PRO HD3 . . 4.030 3.431 3.190 4.079 0.049 17 0 "[ . 1 . 2]" 1
825 1 42 GLU QG 1 45 TRP HD1 . . 3.980 3.588 2.850 3.957 . 0 0 "[ . 1 . 2]" 1
826 1 42 GLU QG 1 45 TRP HE1 . . 5.260 4.704 3.902 5.260 0.000 20 0 "[ . 1 . 2]" 1
827 1 42 GLU HG2 1 43 PRO HD2 . . 4.370 3.111 2.367 3.819 . 0 0 "[ . 1 . 2]" 1
828 1 42 GLU HG2 1 43 PRO HD3 . . 4.740 4.235 3.264 4.739 . 0 0 "[ . 1 . 2]" 1
829 1 42 GLU HG2 1 45 TRP HD1 . . 4.600 3.957 3.465 4.452 . 0 0 "[ . 1 . 2]" 1
830 1 42 GLU HG3 1 43 PRO HD2 . . 4.370 3.134 2.458 3.968 . 0 0 "[ . 1 . 2]" 1
831 1 42 GLU HG3 1 43 PRO HD3 . . 4.740 3.993 3.290 4.728 . 0 0 "[ . 1 . 2]" 1
832 1 42 GLU HG3 1 45 TRP HD1 . . 4.600 4.301 2.928 4.597 . 0 0 "[ . 1 . 2]" 1
833 1 43 PRO HA 1 45 TRP H . . 4.430 3.999 3.590 4.197 . 0 0 "[ . 1 . 2]" 1
834 1 44 GLY H 1 45 TRP H . . 4.220 2.140 1.839 2.526 . 0 0 "[ . 1 . 2]" 1
835 1 44 GLY QA 1 59 ALA MB . . 3.720 3.350 2.759 3.706 . 0 0 "[ . 1 . 2]" 1
836 1 45 TRP H 1 45 TRP HB2 . . 3.450 2.502 2.284 2.691 . 0 0 "[ . 1 . 2]" 1
837 1 45 TRP H 1 45 TRP HB3 . . 3.880 3.686 3.560 3.800 . 0 0 "[ . 1 . 2]" 1
838 1 45 TRP H 1 45 TRP HD1 . . 3.830 3.296 2.788 3.816 . 0 0 "[ . 1 . 2]" 1
839 1 45 TRP H 1 59 ALA MB . . 4.930 4.277 3.643 4.821 . 0 0 "[ . 1 . 2]" 1
840 1 45 TRP HA 1 46 GLN H . . 3.280 2.340 2.178 2.503 . 0 0 "[ . 1 . 2]" 1
841 1 45 TRP HA 1 58 PRO HA . . 4.200 2.643 2.244 3.035 . 0 0 "[ . 1 . 2]" 1
842 1 45 TRP HA 1 59 ALA H . . 3.700 3.215 2.767 3.680 . 0 0 "[ . 1 . 2]" 1
843 1 45 TRP HB2 1 46 GLN H . . 4.520 3.881 3.630 4.199 . 0 0 "[ . 1 . 2]" 1
844 1 45 TRP HB2 1 56 LEU QD . . 4.380 3.541 2.889 4.000 . 0 0 "[ . 1 . 2]" 1
845 1 45 TRP HB3 1 46 GLN H . . 3.710 2.623 2.227 3.146 . 0 0 "[ . 1 . 2]" 1
846 1 45 TRP HB3 1 56 LEU HA . . 4.900 4.758 4.415 4.901 0.001 20 0 "[ . 1 . 2]" 1
847 1 45 TRP HB3 1 56 LEU QD . . 3.470 2.515 2.175 2.971 . 0 0 "[ . 1 . 2]" 1
848 1 45 TRP HE3 1 46 GLN H . . 4.260 2.978 2.592 3.335 . 0 0 "[ . 1 . 2]" 1
849 1 45 TRP HE3 1 56 LEU HB2 . . 4.740 3.744 3.117 4.437 . 0 0 "[ . 1 . 2]" 1
850 1 45 TRP HE3 1 56 LEU QB . . 4.160 2.269 2.000 2.856 . 0 0 "[ . 1 . 2]" 1
851 1 45 TRP HE3 1 56 LEU HB3 . . 4.740 2.289 2.024 2.891 . 0 0 "[ . 1 . 2]" 1
852 1 45 TRP HE3 1 56 LEU MD1 . . 5.070 3.838 2.657 4.974 . 0 0 "[ . 1 . 2]" 1
853 1 45 TRP HE3 1 56 LEU QD . . 3.870 3.187 2.645 3.559 . 0 0 "[ . 1 . 2]" 1
854 1 45 TRP HE3 1 56 LEU MD2 . . 5.070 3.894 3.140 4.964 . 0 0 "[ . 1 . 2]" 1
855 1 45 TRP HE3 1 57 PHE H . . 3.890 3.214 2.422 3.829 . 0 0 "[ . 1 . 2]" 1
856 1 45 TRP HZ3 1 57 PHE HA . . 3.700 2.911 2.112 3.700 0.000 20 0 "[ . 1 . 2]" 1
857 1 45 TRP HZ3 1 58 PRO HD3 . . 3.900 3.105 2.236 3.831 . 0 0 "[ . 1 . 2]" 1
858 1 46 GLN H 1 46 GLN HB2 . . 3.800 2.638 2.470 2.791 . 0 0 "[ . 1 . 2]" 1
859 1 46 GLN H 1 46 GLN HG2 . . 4.700 3.753 3.118 4.349 . 0 0 "[ . 1 . 2]" 1
860 1 46 GLN H 1 46 GLN HG3 . . 4.700 4.037 3.301 4.674 . 0 0 "[ . 1 . 2]" 1
861 1 46 GLN H 1 56 LEU QD . . 4.670 3.325 2.961 3.761 . 0 0 "[ . 1 . 2]" 1
862 1 46 GLN H 1 57 PHE H . . 3.760 2.788 2.200 3.508 . 0 0 "[ . 1 . 2]" 1
863 1 46 GLN H 1 58 PRO HA . . 4.460 3.828 3.574 4.111 . 0 0 "[ . 1 . 2]" 1
864 1 46 GLN H 1 59 ALA H . . 4.550 4.358 4.177 4.525 . 0 0 "[ . 1 . 2]" 1
865 1 46 GLN H 1 59 ALA MB . . 4.630 4.319 3.991 4.605 . 0 0 "[ . 1 . 2]" 1
866 1 46 GLN HA 1 46 GLN QE . . 4.400 4.057 3.685 4.303 . 0 0 "[ . 1 . 2]" 1
867 1 46 GLN HA 1 46 GLN HG2 . . 4.230 2.540 2.228 2.885 . 0 0 "[ . 1 . 2]" 1
868 1 46 GLN HA 1 46 GLN QG . . 3.620 2.477 2.189 2.782 . 0 0 "[ . 1 . 2]" 1
869 1 46 GLN HA 1 46 GLN HG3 . . 4.230 3.453 2.968 3.749 . 0 0 "[ . 1 . 2]" 1
870 1 46 GLN HA 1 47 PHE H . . 3.220 2.236 2.164 2.394 . 0 0 "[ . 1 . 2]" 1
871 1 46 GLN HA 1 57 PHE QE . . 5.300 4.850 4.556 5.130 . 0 0 "[ . 1 . 2]" 1
872 1 46 GLN HA 1 59 ALA MB . . 4.550 4.398 4.215 4.543 . 0 0 "[ . 1 . 2]" 1
873 1 46 GLN HB2 1 47 PHE H . . 4.370 4.107 3.819 4.279 . 0 0 "[ . 1 . 2]" 1
874 1 46 GLN HB2 1 57 PHE QE . . 4.290 3.145 2.716 3.392 . 0 0 "[ . 1 . 2]" 1
875 1 46 GLN HB2 1 57 PHE HZ . . 4.740 3.458 2.868 3.946 . 0 0 "[ . 1 . 2]" 1
876 1 46 GLN HB2 1 59 ALA HA . . 4.710 4.021 3.760 4.254 . 0 0 "[ . 1 . 2]" 1
877 1 46 GLN HB2 1 59 ALA MB . . 4.210 3.535 3.301 3.769 . 0 0 "[ . 1 . 2]" 1
878 1 46 GLN HB2 1 62 VAL MG2 . . 4.370 4.198 3.971 4.362 . 0 0 "[ . 1 . 2]" 1
879 1 46 GLN HB3 1 47 PHE H . . 3.530 2.945 2.485 3.210 . 0 0 "[ . 1 . 2]" 1
880 1 46 GLN HB3 1 57 PHE QD . . 4.780 4.099 3.846 4.377 . 0 0 "[ . 1 . 2]" 1
881 1 46 GLN HB3 1 57 PHE QE . . 4.490 2.995 2.642 3.304 . 0 0 "[ . 1 . 2]" 1
882 1 46 GLN HB3 1 57 PHE HZ . . 4.700 2.734 2.226 3.024 . 0 0 "[ . 1 . 2]" 1
883 1 46 GLN HB3 1 59 ALA MB . . 4.370 4.225 4.027 4.369 . 0 0 "[ . 1 . 2]" 1
884 1 46 GLN HE21 1 59 ALA MB . . 4.270 3.286 2.682 4.218 . 0 0 "[ . 1 . 2]" 1
885 1 46 GLN HE22 1 59 ALA MB . . 4.270 3.953 3.232 4.269 . 0 0 "[ . 1 . 2]" 1
886 1 46 GLN QG 1 47 PHE H . . 4.320 4.070 3.507 4.320 . 0 0 "[ . 1 . 2]" 1
887 1 46 GLN QG 1 57 PHE QE . . 4.400 3.628 3.161 4.169 . 0 0 "[ . 1 . 2]" 1
888 1 46 GLN QG 1 59 ALA HA . . 4.000 3.096 2.768 3.355 . 0 0 "[ . 1 . 2]" 1
889 1 46 GLN QG 1 62 VAL MG2 . . 4.900 3.592 3.024 4.167 . 0 0 "[ . 1 . 2]" 1
890 1 46 GLN HG2 1 47 PHE H . . 5.100 4.345 3.606 4.724 . 0 0 "[ . 1 . 2]" 1
891 1 46 GLN HG2 1 59 ALA HA . . 4.840 4.262 3.199 4.838 . 0 0 "[ . 1 . 2]" 1
892 1 46 GLN HG2 1 59 ALA MB . . 3.600 2.472 1.946 3.063 . 0 0 "[ . 1 . 2]" 1
893 1 46 GLN HG3 1 47 PHE H . . 5.100 4.987 4.671 5.099 . 0 0 "[ . 1 . 2]" 1
894 1 46 GLN HG3 1 59 ALA HA . . 4.840 3.197 2.946 3.507 . 0 0 "[ . 1 . 2]" 1
895 1 46 GLN HG3 1 59 ALA MB . . 3.600 2.009 1.812 2.334 . 0 0 "[ . 1 . 2]" 1
896 1 47 PHE H 1 47 PHE HB2 . . 3.880 3.021 2.900 3.149 . 0 0 "[ . 1 . 2]" 1
897 1 47 PHE H 1 47 PHE QB . . 3.400 2.466 2.355 2.606 . 0 0 "[ . 1 . 2]" 1
898 1 47 PHE H 1 47 PHE HB3 . . 3.880 2.617 2.469 2.779 . 0 0 "[ . 1 . 2]" 1
899 1 47 PHE H 1 47 PHE QD . . 4.610 4.293 4.187 4.383 . 0 0 "[ . 1 . 2]" 1
900 1 47 PHE H 1 56 LEU QD . . 4.290 3.814 3.460 4.294 0.004 16 0 "[ . 1 . 2]" 1
901 1 47 PHE HA 1 47 PHE QD . . 4.290 2.510 2.231 3.017 . 0 0 "[ . 1 . 2]" 1
902 1 47 PHE HA 1 48 GLY H . . 3.130 2.153 2.143 2.202 . 0 0 "[ . 1 . 2]" 1
903 1 47 PHE HA 1 55 GLY H . . 4.910 4.692 4.354 4.877 . 0 0 "[ . 1 . 2]" 1
904 1 47 PHE HA 1 56 LEU HA . . 3.780 2.787 2.200 3.199 . 0 0 "[ . 1 . 2]" 1
905 1 47 PHE HA 1 56 LEU MD1 . . 5.010 4.062 2.269 5.010 . 20 0 "[ . 1 . 2]" 1
906 1 47 PHE HA 1 56 LEU QD . . 3.560 2.582 2.048 3.416 . 0 0 "[ . 1 . 2]" 1
907 1 47 PHE HA 1 56 LEU MD2 . . 5.010 3.055 2.050 4.433 . 0 0 "[ . 1 . 2]" 1
908 1 47 PHE QB 1 56 LEU QD . . 3.340 2.211 1.887 2.772 . 0 0 "[ . 1 . 2]" 1
909 1 47 PHE QD 1 48 GLY H . . 4.330 3.400 2.947 3.906 . 0 0 "[ . 1 . 2]" 1
910 1 47 PHE QD 1 56 LEU HA . . 4.370 3.348 2.747 3.936 . 0 0 "[ . 1 . 2]" 1
911 1 47 PHE QD 1 56 LEU MD1 . . 4.230 3.117 1.920 4.172 . 0 0 "[ . 1 . 2]" 1
912 1 47 PHE QD 1 56 LEU QD . . 3.210 2.127 1.842 2.784 . 0 0 "[ . 1 . 2]" 1
913 1 47 PHE QD 1 56 LEU MD2 . . 4.230 2.498 1.933 4.177 . 0 0 "[ . 1 . 2]" 1
914 1 47 PHE QD 1 56 LEU HG . . 4.390 3.174 2.196 4.378 . 0 0 "[ . 1 . 2]" 1
915 1 47 PHE QE 1 54 SER QB . . 3.870 3.369 2.899 3.860 . 0 0 "[ . 1 . 2]" 1
916 1 47 PHE QE 1 55 GLY QA . . 4.780 3.480 2.686 4.114 . 0 0 "[ . 1 . 2]" 1
917 1 47 PHE QE 1 56 LEU QD . . 4.670 3.488 2.590 4.324 . 0 0 "[ . 1 . 2]" 1
918 1 47 PHE HZ 1 54 SER QB . . 3.980 3.525 2.777 3.907 . 0 0 "[ . 1 . 2]" 1
919 1 48 GLY H 1 54 SER HA . . 4.930 4.751 4.186 4.917 . 0 0 "[ . 1 . 2]" 1
920 1 48 GLY H 1 55 GLY H . . 3.810 3.435 3.089 3.702 . 0 0 "[ . 1 . 2]" 1
921 1 48 GLY H 1 56 LEU HA . . 4.590 3.948 3.440 4.525 . 0 0 "[ . 1 . 2]" 1
922 1 48 GLY H 1 56 LEU QD . . 4.650 4.118 3.725 4.433 . 0 0 "[ . 1 . 2]" 1
923 1 48 GLY H 1 57 PHE QD . . 4.600 3.556 3.056 4.144 . 0 0 "[ . 1 . 2]" 1
924 1 48 GLY H 1 57 PHE QE . . 3.810 2.910 2.297 3.496 . 0 0 "[ . 1 . 2]" 1
925 1 48 GLY QA 1 57 PHE QE . . 4.020 2.827 2.497 3.296 . 0 0 "[ . 1 . 2]" 1
926 1 48 GLY HA2 1 57 PHE QE . . 4.750 4.264 3.909 4.650 . 0 0 "[ . 1 . 2]" 1
927 1 48 GLY HA3 1 57 PHE QE . . 4.750 2.871 2.527 3.372 . 0 0 "[ . 1 . 2]" 1
928 1 49 SER H 1 49 SER HB2 . . 4.130 3.209 2.407 3.854 . 0 0 "[ . 1 . 2]" 1
929 1 49 SER H 1 49 SER QB . . 3.560 2.606 2.352 3.132 . 0 0 "[ . 1 . 2]" 1
930 1 49 SER H 1 49 SER HB3 . . 4.130 2.899 2.439 3.652 . 0 0 "[ . 1 . 2]" 1
931 1 49 SER H 1 50 ALA MB . . 5.500 4.819 4.359 5.255 . 0 0 "[ . 1 . 2]" 1
932 1 49 SER HA 1 50 ALA H . . 3.060 2.211 2.138 2.357 . 0 0 "[ . 1 . 2]" 1
933 1 49 SER HA 1 50 ALA MB . . 4.390 3.898 3.808 4.003 . 0 0 "[ . 1 . 2]" 1
934 1 49 SER HA 1 54 SER QB . . 4.650 3.569 3.025 4.229 . 0 0 "[ . 1 . 2]" 1
935 1 49 SER HA 1 55 GLY H . . 4.370 3.780 3.474 4.226 . 0 0 "[ . 1 . 2]" 1
936 1 49 SER QB 1 54 SER HA . . 4.400 3.496 2.666 4.332 . 0 0 "[ . 1 . 2]" 1
937 1 49 SER HB2 1 50 ALA H . . 4.470 3.788 2.935 4.466 . 0 0 "[ . 1 . 2]" 1
938 1 49 SER HB3 1 50 ALA H . . 4.470 3.911 2.928 4.308 . 0 0 "[ . 1 . 2]" 1
939 1 50 ALA H 1 53 ARG H . . 4.030 3.441 2.762 3.996 . 0 0 "[ . 1 . 2]" 1
940 1 50 ALA H 1 54 SER HA . . 4.200 3.702 3.201 4.091 . 0 0 "[ . 1 . 2]" 1
941 1 50 ALA H 1 54 SER QB . . 5.500 4.988 4.597 5.457 . 0 0 "[ . 1 . 2]" 1
942 1 53 ARG H 1 53 ARG HB2 . . 4.090 3.021 2.390 3.954 . 0 0 "[ . 1 . 2]" 1
943 1 53 ARG H 1 53 ARG QB . . 3.540 2.598 2.230 3.206 . 0 0 "[ . 1 . 2]" 1
944 1 53 ARG H 1 53 ARG HB3 . . 4.090 3.286 2.281 3.905 . 0 0 "[ . 1 . 2]" 1
945 1 53 ARG H 1 53 ARG QG . . 3.800 3.083 1.895 3.813 0.013 20 0 "[ . 1 . 2]" 1
946 1 53 ARG QB 1 53 ARG QD . . 3.300 2.222 2.059 2.472 . 0 0 "[ . 1 . 2]" 1
947 1 53 ARG QB 1 54 SER H . . 3.460 2.798 2.203 3.465 0.005 13 0 "[ . 1 . 2]" 1
948 1 53 ARG HB2 1 53 ARG QD . . 3.760 2.510 2.179 3.338 . 0 0 "[ . 1 . 2]" 1
949 1 53 ARG HB2 1 54 SER H . . 4.130 3.571 2.220 4.107 . 0 0 "[ . 1 . 2]" 1
950 1 53 ARG HB3 1 53 ARG QD . . 3.760 2.644 2.141 3.398 . 0 0 "[ . 1 . 2]" 1
951 1 53 ARG HB3 1 54 SER H . . 4.130 3.256 2.295 4.129 . 0 0 "[ . 1 . 2]" 1
952 1 53 ARG QG 1 54 SER H . . 4.410 3.474 1.951 4.100 . 0 0 "[ . 1 . 2]" 1
953 1 54 SER H 1 54 SER QB . . 3.740 2.854 2.441 3.093 . 0 0 "[ . 1 . 2]" 1
954 1 54 SER HA 1 55 GLY H . . 3.200 2.253 2.142 2.487 . 0 0 "[ . 1 . 2]" 1
955 1 54 SER QB 1 55 GLY H . . 3.420 2.886 2.329 3.396 . 0 0 "[ . 1 . 2]" 1
956 1 55 GLY H 1 56 LEU H . . 4.710 4.357 4.276 4.415 . 0 0 "[ . 1 . 2]" 1
957 1 55 GLY QA 1 56 LEU QD . . 4.670 3.520 2.673 4.226 . 0 0 "[ . 1 . 2]" 1
958 1 56 LEU H 1 56 LEU HB2 . . 4.050 2.358 2.175 2.579 . 0 0 "[ . 1 . 2]" 1
959 1 56 LEU H 1 56 LEU QB . . 3.300 2.328 2.154 2.536 . 0 0 "[ . 1 . 2]" 1
960 1 56 LEU H 1 56 LEU HB3 . . 4.050 3.599 3.475 3.743 . 0 0 "[ . 1 . 2]" 1
961 1 56 LEU H 1 56 LEU MD1 . . 4.160 3.649 2.220 4.153 . 0 0 "[ . 1 . 2]" 1
962 1 56 LEU H 1 56 LEU QD . . 3.590 3.001 2.211 3.590 . 13 0 "[ . 1 . 2]" 1
963 1 56 LEU H 1 56 LEU MD2 . . 4.160 3.614 2.269 4.160 0.000 16 0 "[ . 1 . 2]" 1
964 1 56 LEU H 1 56 LEU HG . . 4.310 3.586 3.016 4.293 . 0 0 "[ . 1 . 2]" 1
965 1 56 LEU H 1 57 PHE H . . 4.850 4.433 4.197 4.606 . 0 0 "[ . 1 . 2]" 1
966 1 56 LEU HA 1 56 LEU MD1 . . 4.370 3.201 1.995 3.917 . 0 0 "[ . 1 . 2]" 1
967 1 56 LEU HA 1 56 LEU QD . . 3.210 2.214 1.939 2.984 . 0 0 "[ . 1 . 2]" 1
968 1 56 LEU HA 1 56 LEU MD2 . . 4.370 2.514 2.005 3.735 . 0 0 "[ . 1 . 2]" 1
969 1 56 LEU HA 1 56 LEU HG . . 4.130 3.019 2.336 3.721 . 0 0 "[ . 1 . 2]" 1
970 1 56 LEU HA 1 57 PHE H . . 3.260 2.197 2.139 2.357 . 0 0 "[ . 1 . 2]" 1
971 1 56 LEU QB 1 56 LEU QD . . 2.800 1.931 1.809 2.039 . 0 0 "[ . 1 . 2]" 1
972 1 56 LEU QB 1 57 PHE H . . 3.850 3.095 2.486 3.551 . 0 0 "[ . 1 . 2]" 1
973 1 56 LEU QB 1 57 PHE HA . . 5.220 4.051 3.844 4.244 . 0 0 "[ . 1 . 2]" 1
974 1 56 LEU QD 1 57 PHE H . . 3.790 3.289 2.859 3.791 0.001 16 0 "[ . 1 . 2]" 1
975 1 57 PHE H 1 57 PHE QD . . 3.960 2.377 1.910 2.882 . 0 0 "[ . 1 . 2]" 1
976 1 57 PHE HA 1 58 PRO QB . . 5.000 4.560 4.550 4.566 . 0 0 "[ . 1 . 2]" 1
977 1 57 PHE HA 1 58 PRO HD3 . . 3.670 2.286 2.270 2.296 . 0 0 "[ . 1 . 2]" 1
978 1 57 PHE HA 1 58 PRO HG2 . . 4.770 4.484 4.441 4.508 . 0 0 "[ . 1 . 2]" 1
979 1 57 PHE HA 1 58 PRO HG3 . . 4.770 4.450 4.421 4.468 . 0 0 "[ . 1 . 2]" 1
980 1 57 PHE HA 1 61 ILE MD . . 5.220 4.843 4.492 5.120 . 0 0 "[ . 1 . 2]" 1
981 1 57 PHE HB2 1 58 PRO HD2 . . 3.780 2.052 1.996 2.168 . 0 0 "[ . 1 . 2]" 1
982 1 57 PHE HB2 1 58 PRO HD3 . . 3.960 3.489 3.439 3.593 . 0 0 "[ . 1 . 2]" 1
983 1 57 PHE HB2 1 61 ILE MD . . 4.250 3.535 3.104 3.893 . 0 0 "[ . 1 . 2]" 1
984 1 57 PHE HB3 1 58 PRO HD2 . . 4.350 3.389 3.263 3.498 . 0 0 "[ . 1 . 2]" 1
985 1 57 PHE HB3 1 58 PRO HD3 . . 4.570 4.357 4.248 4.450 . 0 0 "[ . 1 . 2]" 1
986 1 57 PHE QD 1 58 PRO HD2 . . 4.720 3.534 3.381 3.653 . 0 0 "[ . 1 . 2]" 1
987 1 57 PHE QD 1 58 PRO QG . . 4.840 4.089 3.904 4.254 . 0 0 "[ . 1 . 2]" 1
988 1 57 PHE QD 1 59 ALA HA . . 4.740 3.873 3.595 4.187 . 0 0 "[ . 1 . 2]" 1
989 1 57 PHE QD 1 61 ILE QG . . 5.190 3.537 3.289 3.805 . 0 0 "[ . 1 . 2]" 1
990 1 57 PHE QD 1 62 VAL MG1 . . 3.680 2.355 1.968 2.855 . 0 0 "[ . 1 . 2]" 1
991 1 57 PHE QD 1 62 VAL MG2 . . 3.820 3.155 2.741 3.520 . 0 0 "[ . 1 . 2]" 1
992 1 57 PHE QE 1 59 ALA HA . . 4.490 3.694 3.318 4.155 . 0 0 "[ . 1 . 2]" 1
993 1 57 PHE QE 1 62 VAL MG1 . . 3.450 2.290 1.988 2.806 . 0 0 "[ . 1 . 2]" 1
994 1 57 PHE QE 1 62 VAL MG2 . . 3.260 2.105 1.996 2.362 . 0 0 "[ . 1 . 2]" 1
995 1 57 PHE HZ 1 62 VAL MG1 . . 4.470 4.248 4.053 4.468 . 0 0 "[ . 1 . 2]" 1
996 1 57 PHE HZ 1 62 VAL MG2 . . 4.200 4.038 3.729 4.199 . 0 0 "[ . 1 . 2]" 1
997 1 58 PRO HA 1 59 ALA H . . 3.100 2.175 2.152 2.229 . 0 0 "[ . 1 . 2]" 1
998 1 58 PRO HA 1 59 ALA MB . . 3.990 3.918 3.884 3.964 . 0 0 "[ . 1 . 2]" 1
999 1 58 PRO HA 1 60 ASP H . . 4.580 3.820 3.491 4.146 . 0 0 "[ . 1 . 2]" 1
1000 1 58 PRO QB 1 59 ALA H . . 3.890 3.198 2.973 3.356 . 0 0 "[ . 1 . 2]" 1
1001 1 58 PRO QB 1 59 ALA MB . . 4.680 4.562 4.445 4.644 . 0 0 "[ . 1 . 2]" 1
1002 1 58 PRO QB 1 60 ASP H . . 3.960 2.458 2.287 2.904 . 0 0 "[ . 1 . 2]" 1
1003 1 58 PRO QB 1 61 ILE H . . 3.900 3.470 2.927 3.894 . 0 0 "[ . 1 . 2]" 1
1004 1 58 PRO QB 1 61 ILE MD . . 4.090 3.878 3.679 4.089 . 0 0 "[ . 1 . 2]" 1
1005 1 58 PRO QB 1 61 ILE MG . . 3.490 3.003 2.632 3.419 . 0 0 "[ . 1 . 2]" 1
1006 1 58 PRO HD2 1 61 ILE MD . . 3.830 2.882 2.600 3.144 . 0 0 "[ . 1 . 2]" 1
1007 1 58 PRO HD2 1 61 ILE MG . . 4.490 4.392 4.151 4.490 . 0 0 "[ . 1 . 2]" 1
1008 1 58 PRO HD3 1 61 ILE MD . . 4.450 4.025 3.754 4.382 . 0 0 "[ . 1 . 2]" 1
1009 1 58 PRO HD3 1 61 ILE MG . . 5.500 4.964 4.761 5.152 . 0 0 "[ . 1 . 2]" 1
1010 1 58 PRO QG 1 61 ILE H . . 5.350 3.546 3.162 4.083 . 0 0 "[ . 1 . 2]" 1
1011 1 58 PRO QG 1 61 ILE MD . . 3.590 2.137 1.956 2.514 . 0 0 "[ . 1 . 2]" 1
1012 1 58 PRO QG 1 61 ILE MG . . 3.610 2.475 2.233 2.646 . 0 0 "[ . 1 . 2]" 1
1013 1 58 PRO HG2 1 61 ILE MD . . 4.170 2.184 2.006 2.580 . 0 0 "[ . 1 . 2]" 1
1014 1 58 PRO HG3 1 61 ILE MD . . 4.170 3.059 2.646 3.473 . 0 0 "[ . 1 . 2]" 1
1015 1 59 ALA H 1 59 ALA MB . . 3.100 2.148 2.072 2.215 . 0 0 "[ . 1 . 2]" 1
1016 1 59 ALA H 1 60 ASP H . . 3.800 2.937 2.677 3.414 . 0 0 "[ . 1 . 2]" 1
1017 1 59 ALA HA 1 62 VAL MG1 . . 4.540 3.640 3.224 3.916 . 0 0 "[ . 1 . 2]" 1
1018 1 59 ALA HA 1 62 VAL MG2 . . 3.640 2.139 1.874 2.540 . 0 0 "[ . 1 . 2]" 1
1019 1 59 ALA MB 1 60 ASP H . . 3.740 3.610 3.464 3.713 . 0 0 "[ . 1 . 2]" 1
1020 1 59 ALA MB 1 60 ASP HA . . 4.940 4.113 4.026 4.168 . 0 0 "[ . 1 . 2]" 1
1021 1 60 ASP H 1 60 ASP HB2 . . 3.740 2.739 2.339 3.741 0.001 4 0 "[ . 1 . 2]" 1
1022 1 60 ASP H 1 60 ASP HB3 . . 3.740 3.270 2.416 3.739 . 0 0 "[ . 1 . 2]" 1
1023 1 60 ASP H 1 61 ILE H . . 3.450 2.045 1.800 2.385 . 0 0 "[ . 1 . 2]" 1
1024 1 60 ASP H 1 61 ILE QG . . 4.630 3.538 3.314 3.823 . 0 0 "[ . 1 . 2]" 1
1025 1 60 ASP H 1 61 ILE MG . . 4.320 3.304 3.035 3.676 . 0 0 "[ . 1 . 2]" 1
1026 1 60 ASP H 1 62 VAL MG2 . . 5.170 3.682 3.111 4.294 . 0 0 "[ . 1 . 2]" 1
1027 1 60 ASP HA 1 62 VAL H . . 4.610 3.749 3.591 3.973 . 0 0 "[ . 1 . 2]" 1
1028 1 60 ASP QB 1 61 ILE MG . . 4.100 2.898 2.572 3.714 . 0 0 "[ . 1 . 2]" 1
1029 1 61 ILE H 1 61 ILE HB . . 3.960 3.778 3.647 3.891 . 0 0 "[ . 1 . 2]" 1
1030 1 61 ILE H 1 61 ILE MD . . 4.220 3.840 3.538 4.016 . 0 0 "[ . 1 . 2]" 1
1031 1 61 ILE H 1 61 ILE QG . . 3.260 2.304 2.159 2.430 . 0 0 "[ . 1 . 2]" 1
1032 1 61 ILE H 1 61 ILE MG . . 3.420 2.409 1.882 2.757 . 0 0 "[ . 1 . 2]" 1
1033 1 61 ILE H 1 62 VAL H . . 3.250 2.327 1.818 2.681 . 0 0 "[ . 1 . 2]" 1
1034 1 61 ILE H 1 62 VAL MG1 . . 4.560 3.485 3.106 3.886 . 0 0 "[ . 1 . 2]" 1
1035 1 61 ILE H 1 62 VAL MG2 . . 4.050 3.280 2.925 3.701 . 0 0 "[ . 1 . 2]" 1
1036 1 61 ILE HA 1 61 ILE MD . . 4.500 4.163 4.143 4.175 . 0 0 "[ . 1 . 2]" 1
1037 1 61 ILE HA 1 61 ILE QG . . 3.950 3.288 3.273 3.298 . 0 0 "[ . 1 . 2]" 1
1038 1 61 ILE HA 1 61 ILE MG . . 3.310 2.498 2.403 2.583 . 0 0 "[ . 1 . 2]" 1
1039 1 61 ILE HB 1 61 ILE MD . . 3.170 2.409 2.335 2.529 . 0 0 "[ . 1 . 2]" 1
1040 1 61 ILE HB 1 62 VAL MG1 . . 4.710 4.136 3.983 4.297 . 0 0 "[ . 1 . 2]" 1
1041 1 61 ILE MD 1 61 ILE MG . . 2.880 1.957 1.891 2.028 . 0 0 "[ . 1 . 2]" 1
1042 1 61 ILE MD 1 62 VAL H . . 5.230 4.905 4.538 5.083 . 0 0 "[ . 1 . 2]" 1
1043 1 61 ILE QG 1 61 ILE MG . . 3.150 2.353 2.238 2.423 . 0 0 "[ . 1 . 2]" 1
1044 1 61 ILE QG 1 62 VAL H . . 4.170 3.288 2.876 3.492 . 0 0 "[ . 1 . 2]" 1
1045 1 61 ILE QG 1 62 VAL HA . . 4.660 3.695 3.344 3.880 . 0 0 "[ . 1 . 2]" 1
1046 1 61 ILE QG 1 62 VAL MG1 . . 3.300 2.099 1.867 2.277 . 0 0 "[ . 1 . 2]" 1
1047 1 62 VAL H 1 62 VAL MG1 . . 3.710 2.928 2.508 3.188 . 0 0 "[ . 1 . 2]" 1
1048 1 62 VAL H 1 62 VAL MG2 . . 3.160 2.079 1.900 2.290 . 0 0 "[ . 1 . 2]" 1
1049 1 62 VAL H 1 63 GLN H . . 4.670 4.433 4.359 4.508 . 0 0 "[ . 1 . 2]" 1
1050 1 62 VAL HA 1 62 VAL MG1 . . 3.480 2.344 2.192 2.507 . 0 0 "[ . 1 . 2]" 1
1051 1 62 VAL HA 1 63 GLN H . . 3.340 2.294 2.217 2.529 . 0 0 "[ . 1 . 2]" 1
1052 1 62 VAL HB 1 63 GLN H . . 3.490 2.690 2.180 2.919 . 0 0 "[ . 1 . 2]" 1
1053 1 62 VAL MG1 1 63 GLN H . . 3.950 3.787 3.572 3.940 . 0 0 "[ . 1 . 2]" 1
1054 1 62 VAL MG2 1 63 GLN H . . 3.810 3.617 2.944 3.772 . 0 0 "[ . 1 . 2]" 1
1055 1 62 VAL MG2 1 63 GLN HA . . 4.410 3.849 3.372 4.019 . 0 0 "[ . 1 . 2]" 1
1056 1 63 GLN H 1 63 GLN QB . . 3.590 2.875 2.686 3.031 . 0 0 "[ . 1 . 2]" 1
1057 1 63 GLN H 1 63 GLN QG . . 4.030 2.475 2.276 2.670 . 0 0 "[ . 1 . 2]" 1
1058 1 63 GLN HA 1 64 PRO HD2 . . 3.380 2.366 2.334 2.394 . 0 0 "[ . 1 . 2]" 1
1059 1 63 GLN HA 1 64 PRO HD3 . . 3.280 2.286 2.276 2.296 . 0 0 "[ . 1 . 2]" 1
1060 1 63 GLN HA 1 64 PRO HG2 . . 4.550 4.484 4.458 4.507 . 0 0 "[ . 1 . 2]" 1
1061 1 63 GLN HA 1 64 PRO HG3 . . 4.650 4.451 4.432 4.467 . 0 0 "[ . 1 . 2]" 1
1062 1 63 GLN QB 1 64 PRO HD2 . . 3.570 2.030 1.984 2.132 . 0 0 "[ . 1 . 2]" 1
1063 1 63 GLN QB 1 64 PRO HD3 . . 3.980 3.346 3.304 3.416 . 0 0 "[ . 1 . 2]" 1
1064 1 63 GLN HB2 1 64 PRO HD2 . . 4.070 2.042 1.995 2.146 . 0 0 "[ . 1 . 2]" 1
1065 1 63 GLN HB2 1 64 PRO HD3 . . 4.620 3.455 3.396 3.519 . 0 0 "[ . 1 . 2]" 1
1066 1 63 GLN HB3 1 64 PRO HD2 . . 4.070 3.529 3.333 3.695 . 0 0 "[ . 1 . 2]" 1
1067 1 63 GLN HB3 1 64 PRO HD3 . . 4.620 4.479 4.307 4.625 0.005 15 0 "[ . 1 . 2]" 1
1068 1 63 GLN QG 1 64 PRO HD2 . . 4.140 3.637 3.280 3.875 . 0 0 "[ . 1 . 2]" 1
1069 1 63 GLN QG 1 64 PRO HD3 . . 4.780 4.575 4.338 4.794 0.014 15 0 "[ . 1 . 2]" 1
1070 1 64 PRO HA 1 65 ALA H . . 3.030 2.212 2.194 2.279 . 0 0 "[ . 1 . 2]" 1
1071 1 64 PRO HA 1 65 ALA MB . . 4.170 3.902 3.811 3.949 . 0 0 "[ . 1 . 2]" 1
1072 1 64 PRO QB 1 65 ALA H . . 3.880 3.031 2.831 3.094 . 0 0 "[ . 1 . 2]" 1
1073 1 64 PRO HB2 1 65 ALA H . . 4.540 3.191 2.953 3.267 . 0 0 "[ . 1 . 2]" 1
1074 1 64 PRO HB3 1 65 ALA H . . 4.540 3.781 3.638 3.827 . 0 0 "[ . 1 . 2]" 1
1075 1 64 PRO HG2 1 65 ALA H . . 4.880 4.800 4.659 4.841 . 0 0 "[ . 1 . 2]" 1
1076 1 64 PRO HG3 1 65 ALA H . . 5.500 5.472 5.323 5.517 0.017 16 0 "[ . 1 . 2]" 1
1077 1 65 ALA H 1 65 ALA MB . . 3.390 2.633 2.478 2.711 . 0 0 "[ . 1 . 2]" 1
1078 1 65 ALA HA 1 66 ALA MB . . 4.190 4.052 3.964 4.159 . 0 0 "[ . 1 . 2]" 1
1079 1 65 ALA MB 1 66 ALA H . . 3.780 2.510 1.891 3.036 . 0 0 "[ . 1 . 2]" 1
1080 1 66 ALA H 1 66 ALA MB . . 3.310 2.181 2.024 2.901 . 0 0 "[ . 1 . 2]" 1
1081 1 66 ALA HA 1 67 ALA H . . 3.250 2.221 2.142 2.462 . 0 0 "[ . 1 . 2]" 1
1082 1 66 ALA HA 1 67 ALA MB . . 4.070 3.976 3.908 4.050 . 0 0 "[ . 1 . 2]" 1
1083 1 66 ALA MB 1 67 ALA HA . . 4.580 4.403 4.147 4.580 . 0 0 "[ . 1 . 2]" 1
1084 1 66 ALA MB 1 68 PRO QD . . 5.200 5.117 4.881 5.202 0.002 5 0 "[ . 1 . 2]" 1
1085 1 67 ALA H 1 67 ALA MB . . 3.060 2.152 2.025 2.355 . 0 0 "[ . 1 . 2]" 1
1086 1 67 ALA H 1 68 PRO QD . . 4.460 4.342 4.311 4.370 . 0 0 "[ . 1 . 2]" 1
1087 1 67 ALA HA 1 68 PRO QD . . 3.030 2.020 1.973 2.076 . 0 0 "[ . 1 . 2]" 1
1088 1 67 ALA HA 1 68 PRO QG . . 4.340 3.925 3.874 3.986 . 0 0 "[ . 1 . 2]" 1
1089 1 67 ALA MB 1 68 PRO QD . . 3.070 2.267 1.962 2.419 . 0 0 "[ . 1 . 2]" 1
1090 1 67 ALA MB 1 68 PRO QG . . 4.390 3.729 3.538 3.820 . 0 0 "[ . 1 . 2]" 1
1091 1 67 ALA MB 1 69 ASP H . . 4.590 3.170 2.106 4.546 . 0 0 "[ . 1 . 2]" 1
1092 1 68 PRO HA 1 69 ASP H . . 3.540 2.953 2.221 3.549 0.009 11 0 "[ . 1 . 2]" 1
1093 1 68 PRO QB 1 69 ASP H . . 4.110 3.643 3.066 3.903 . 0 0 "[ . 1 . 2]" 1
1094 1 69 ASP H 1 69 ASP QB . . 3.860 2.623 2.132 3.478 . 0 0 "[ . 1 . 2]" 1
1095 1 70 PHE H 1 70 PHE QB . . 3.690 2.570 2.180 3.281 . 0 0 "[ . 1 . 2]" 1
1096 1 70 PHE H 1 70 PHE QD . . 4.520 3.076 1.924 4.381 . 0 0 "[ . 1 . 2]" 1
1097 1 70 PHE HA 1 70 PHE QD . . 3.820 3.018 2.070 3.724 . 0 0 "[ . 1 . 2]" 1
1098 1 72 PHE HA 1 72 PHE QD . . 4.000 2.990 2.274 3.724 . 0 0 "[ . 1 . 2]" 1
1099 1 76 GLN HA 1 76 GLN QG . . 3.870 2.731 2.171 3.419 . 0 0 "[ . 1 . 2]" 1
1100 1 77 ARG HA 1 77 ARG QG . . 4.020 2.563 2.173 3.447 . 0 0 "[ . 1 . 2]" 1
1101 1 77 ARG HB2 1 77 ARG QG . . 2.750 2.325 2.145 2.455 . 0 0 "[ . 1 . 2]" 1
1102 1 77 ARG HB3 1 77 ARG QG . . 2.750 2.315 2.147 2.466 . 0 0 "[ . 1 . 2]" 1
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