NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
460620 |
2cs5   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2cs5
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 1448
_Distance_constraint_stats_list.Viol_count 209
_Distance_constraint_stats_list.Viol_total 61.565
_Distance_constraint_stats_list.Viol_max 0.396
_Distance_constraint_stats_list.Viol_rms 0.0038
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0147
_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 10 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ILE 0.042 0.013 8 0 "[ . 1 . 2]"
1 12 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ASN 0.020 0.010 18 0 "[ . 1 . 2]"
1 16 LEU 0.041 0.018 18 0 "[ . 1 . 2]"
1 17 VAL 0.091 0.018 19 0 "[ . 1 . 2]"
1 18 LEU 0.030 0.026 19 0 "[ . 1 . 2]"
1 19 ILE 0.020 0.011 11 0 "[ . 1 . 2]"
1 20 ARG 0.011 0.007 15 0 "[ . 1 . 2]"
1 21 MET 0.006 0.003 15 0 "[ . 1 . 2]"
1 22 LYS 0.146 0.072 7 0 "[ . 1 . 2]"
1 23 PRO 0.146 0.072 7 0 "[ . 1 . 2]"
1 24 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 GLU 0.002 0.002 1 0 "[ . 1 . 2]"
1 26 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 PHE 0.022 0.022 14 0 "[ . 1 . 2]"
1 30 GLY 0.031 0.022 14 0 "[ . 1 . 2]"
1 31 PHE 0.009 0.004 20 0 "[ . 1 . 2]"
1 32 ASN 0.006 0.002 20 0 "[ . 1 . 2]"
1 33 VAL 0.003 0.002 19 0 "[ . 1 . 2]"
1 34 LYS 0.012 0.007 19 0 "[ . 1 . 2]"
1 35 GLY 0.008 0.005 20 0 "[ . 1 . 2]"
1 36 GLY 0.001 0.001 9 0 "[ . 1 . 2]"
1 37 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ASP 0.000 0.000 9 0 "[ . 1 . 2]"
1 39 GLN 0.000 0.000 20 0 "[ . 1 . 2]"
1 40 LYS 0.015 0.011 16 0 "[ . 1 . 2]"
1 41 MET 0.019 0.008 16 0 "[ . 1 . 2]"
1 42 PRO 0.045 0.013 19 0 "[ . 1 . 2]"
1 43 VAL 0.004 0.003 13 0 "[ . 1 . 2]"
1 44 ILE 0.072 0.013 19 0 "[ . 1 . 2]"
1 45 VAL 0.028 0.015 11 0 "[ . 1 . 2]"
1 46 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ARG 0.019 0.013 20 0 "[ . 1 . 2]"
1 48 VAL 0.026 0.011 20 0 "[ . 1 . 2]"
1 49 ALA 0.013 0.006 20 0 "[ . 1 . 2]"
1 50 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLY 0.005 0.005 14 0 "[ . 1 . 2]"
1 52 THR 0.079 0.041 20 0 "[ . 1 . 2]"
1 53 PRO 0.009 0.006 11 0 "[ . 1 . 2]"
1 54 ALA 0.018 0.011 20 0 "[ . 1 . 2]"
1 55 ASP 0.101 0.041 20 0 "[ . 1 . 2]"
1 56 LEU 0.009 0.006 11 0 "[ . 1 . 2]"
1 57 CYS 0.011 0.007 12 0 "[ . 1 . 2]"
1 58 VAL 0.023 0.015 16 0 "[ . 1 . 2]"
1 59 PRO 0.039 0.011 11 0 "[ . 1 . 2]"
1 60 ARG 0.078 0.013 14 0 "[ . 1 . 2]"
1 61 LEU 0.017 0.006 11 0 "[ . 1 . 2]"
1 62 ASN 0.005 0.005 20 0 "[ . 1 . 2]"
1 63 GLU 0.004 0.003 16 0 "[ . 1 . 2]"
1 64 GLY 0.007 0.006 11 0 "[ . 1 . 2]"
1 65 ASP 0.058 0.034 11 0 "[ . 1 . 2]"
1 66 GLN 0.011 0.008 14 0 "[ . 1 . 2]"
1 67 VAL 0.021 0.012 19 0 "[ . 1 . 2]"
1 68 VAL 0.029 0.012 19 0 "[ . 1 . 2]"
1 69 LEU 0.004 0.004 7 0 "[ . 1 . 2]"
1 70 ILE 0.002 0.002 7 0 "[ . 1 . 2]"
1 71 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ASP 0.004 0.004 7 0 "[ . 1 . 2]"
1 75 ILE 0.093 0.035 20 0 "[ . 1 . 2]"
1 76 ALA 0.021 0.021 19 0 "[ . 1 . 2]"
1 77 GLU 0.011 0.008 1 0 "[ . 1 . 2]"
1 78 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 THR 0.001 0.000 9 0 "[ . 1 . 2]"
1 80 HIS 1.591 0.396 13 0 "[ . 1 . 2]"
1 81 ASP 0.015 0.014 9 0 "[ . 1 . 2]"
1 82 GLN 0.137 0.098 9 0 "[ . 1 . 2]"
1 83 VAL 1.591 0.396 13 0 "[ . 1 . 2]"
1 84 VAL 0.000 0.000 9 0 "[ . 1 . 2]"
1 85 LEU 0.039 0.014 9 0 "[ . 1 . 2]"
1 86 PHE 0.001 0.001 9 0 "[ . 1 . 2]"
1 87 ILE 0.011 0.007 7 0 "[ . 1 . 2]"
1 88 LYS 0.000 0.000 20 0 "[ . 1 . 2]"
1 89 ALA 0.011 0.007 7 0 "[ . 1 . 2]"
1 90 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 GLU 0.110 0.063 19 0 "[ . 1 . 2]"
1 98 LEU 0.110 0.063 19 0 "[ . 1 . 2]"
1 99 MET 0.030 0.026 19 0 "[ . 1 . 2]"
1 100 LEU 0.013 0.003 18 0 "[ . 1 . 2]"
1 101 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 VAL 0.202 0.024 18 0 "[ . 1 . 2]"
1 103 ARG 0.029 0.018 18 0 "[ . 1 . 2]"
1 104 PRO 0.220 0.024 18 0 "[ . 1 . 2]"
1 105 ASN 0.001 0.001 19 0 "[ . 1 . 2]"
1 106 ALA 0.065 0.041 20 0 "[ . 1 . 2]"
1 107 VAL 0.073 0.041 20 0 "[ . 1 . 2]"
1 108 TYR 0.001 0.001 7 0 "[ . 1 . 2]"
1 109 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 GLU 0.001 0.001 4 0 "[ . 1 . 2]"
1 114 SER 0.001 0.001 4 0 "[ . 1 . 2]"
1 115 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 29 PHE H 1 30 GLY H . . 4.540 4.323 2.650 4.562 0.022 14 0 "[ . 1 . 2]" 1
2 1 19 ILE HA 1 20 ARG H . . 3.070 2.162 2.140 2.235 . 0 0 "[ . 1 . 2]" 1
3 1 20 ARG H 1 20 ARG HB2 . . 4.080 2.549 2.391 2.759 . 0 0 "[ . 1 . 2]" 1
4 1 20 ARG H 1 20 ARG HB3 . . 4.080 3.613 2.838 3.847 . 0 0 "[ . 1 . 2]" 1
5 1 19 ILE MD 1 20 ARG H . . 4.420 3.723 3.301 3.977 . 0 0 "[ . 1 . 2]" 1
6 1 111 VAL HA 1 112 GLU H . . 3.080 2.235 2.155 2.378 . 0 0 "[ . 1 . 2]" 1
7 1 112 GLU H 1 112 GLU HB2 . . 4.010 3.143 2.425 3.975 . 0 0 "[ . 1 . 2]" 1
8 1 112 GLU H 1 112 GLU HB3 . . 4.010 3.152 2.562 3.814 . 0 0 "[ . 1 . 2]" 1
9 1 111 VAL MG1 1 112 GLU H . . 4.860 3.280 2.184 3.940 . 0 0 "[ . 1 . 2]" 1
10 1 111 VAL MG2 1 112 GLU H . . 4.860 3.113 1.857 4.285 . 0 0 "[ . 1 . 2]" 1
11 1 20 ARG H 1 20 ARG HG2 . . 4.790 4.148 3.285 4.677 . 0 0 "[ . 1 . 2]" 1
12 1 19 ILE H 1 100 LEU H . . 4.050 2.874 2.369 3.428 . 0 0 "[ . 1 . 2]" 1
13 1 19 ILE HB 1 100 LEU H . . 4.270 2.784 2.163 3.266 . 0 0 "[ . 1 . 2]" 1
14 1 100 LEU H 1 100 LEU HB2 . . 3.930 2.783 2.617 2.944 . 0 0 "[ . 1 . 2]" 1
15 1 18 LEU MD1 1 100 LEU H . . 4.060 3.042 2.430 3.735 . 0 0 "[ . 1 . 2]" 1
16 1 100 LEU H 1 100 LEU HG . . 4.200 2.723 2.196 3.080 . 0 0 "[ . 1 . 2]" 1
17 1 75 ILE H 1 76 ALA H . . 3.670 2.147 1.798 2.878 . 0 0 "[ . 1 . 2]" 1
18 1 110 VAL HA 1 111 VAL H . . 2.860 2.190 2.148 2.272 . 0 0 "[ . 1 . 2]" 1
19 1 111 VAL H 1 111 VAL HB . . 3.440 2.792 2.485 3.354 . 0 0 "[ . 1 . 2]" 1
20 1 45 VAL H 1 45 VAL HB . . 3.660 2.527 2.368 2.611 . 0 0 "[ . 1 . 2]" 1
21 1 44 ILE HB 1 45 VAL H . . 4.520 3.964 3.808 4.093 . 0 0 "[ . 1 . 2]" 1
22 1 44 ILE MG 1 45 VAL H . . 3.400 2.084 1.883 2.366 . 0 0 "[ . 1 . 2]" 1
23 1 45 VAL H 1 67 VAL MG2 . . 4.220 3.778 3.220 4.082 . 0 0 "[ . 1 . 2]" 1
24 1 60 ARG HG2 1 61 LEU H . . 3.940 3.093 2.580 3.920 . 0 0 "[ . 1 . 2]" 1
25 1 60 ARG HG3 1 61 LEU H . . 3.940 3.235 2.465 3.897 . 0 0 "[ . 1 . 2]" 1
26 1 61 LEU H 1 61 LEU HB3 . . 4.060 2.597 2.466 2.771 . 0 0 "[ . 1 . 2]" 1
27 1 60 ARG HB3 1 61 LEU H . . 4.410 4.236 3.877 4.408 . 0 0 "[ . 1 . 2]" 1
28 1 61 LEU H 1 61 LEU HB2 . . 3.730 2.516 2.271 2.812 . 0 0 "[ . 1 . 2]" 1
29 1 100 LEU HB3 1 101 LEU H . . 4.510 3.270 2.570 3.612 . 0 0 "[ . 1 . 2]" 1
30 1 19 ILE MG 1 61 LEU H . . 4.310 4.110 3.876 4.310 . 2 0 "[ . 1 . 2]" 1
31 1 102 VAL MG2 1 103 ARG H . . 4.750 3.370 2.869 3.681 . 0 0 "[ . 1 . 2]" 1
32 1 102 VAL HB 1 103 ARG H . . 3.740 2.541 2.225 2.919 . 0 0 "[ . 1 . 2]" 1
33 1 102 VAL MG1 1 103 ARG H . . 4.040 3.814 3.699 3.948 . 0 0 "[ . 1 . 2]" 1
34 1 105 ASN H 1 106 ALA H . . 3.980 3.517 2.356 3.981 0.001 7 0 "[ . 1 . 2]" 1
35 1 104 PRO HB2 1 106 ALA H . . 4.470 3.695 2.654 4.262 . 0 0 "[ . 1 . 2]" 1
36 1 106 ALA H 1 106 ALA MB . . 3.140 2.388 2.037 2.878 . 0 0 "[ . 1 . 2]" 1
37 1 36 GLY H 1 41 MET H . . 4.220 3.083 2.752 3.529 . 0 0 "[ . 1 . 2]" 1
38 1 108 TYR H 1 108 TYR QD . . 4.050 2.986 1.905 4.039 . 0 0 "[ . 1 . 2]" 1
39 1 107 VAL HA 1 108 TYR H . . 3.000 2.242 2.143 2.599 . 0 0 "[ . 1 . 2]" 1
40 1 108 TYR H 1 108 TYR HB2 . . 4.130 3.161 2.233 4.055 . 0 0 "[ . 1 . 2]" 1
41 1 108 TYR H 1 108 TYR HB3 . . 4.130 3.086 2.262 3.773 . 0 0 "[ . 1 . 2]" 1
42 1 107 VAL HB 1 108 TYR H . . 4.360 3.811 1.990 4.361 0.001 7 0 "[ . 1 . 2]" 1
43 1 113 GLU H 1 114 SER H . . 3.830 3.528 2.239 3.831 0.001 4 0 "[ . 1 . 2]" 1
44 1 112 GLU HA 1 113 GLU H . . 3.490 2.225 2.140 2.430 . 0 0 "[ . 1 . 2]" 1
45 1 64 GLY H 1 65 ASP H . . 3.720 2.884 2.387 3.106 . 0 0 "[ . 1 . 2]" 1
46 1 65 ASP H 1 65 ASP HB2 . . 3.560 2.632 2.264 3.594 0.034 11 0 "[ . 1 . 2]" 1
47 1 45 VAL HB 1 65 ASP H . . 3.770 3.452 2.520 3.761 . 0 0 "[ . 1 . 2]" 1
48 1 65 ASP H 1 65 ASP HB3 . . 3.940 3.464 2.546 3.613 . 0 0 "[ . 1 . 2]" 1
49 1 45 VAL MG1 1 65 ASP H . . 4.870 4.599 3.894 4.870 0.000 2 0 "[ . 1 . 2]" 1
50 1 44 ILE MG 1 65 ASP H . . 4.120 3.583 3.108 4.012 . 0 0 "[ . 1 . 2]" 1
51 1 108 TYR HA 1 109 ASP H . . 3.410 2.341 2.137 3.360 . 0 0 "[ . 1 . 2]" 1
52 1 108 TYR HB2 1 109 ASP H . . 4.470 3.571 2.163 4.449 . 0 0 "[ . 1 . 2]" 1
53 1 108 TYR HB3 1 109 ASP H . . 4.470 3.835 2.724 4.440 . 0 0 "[ . 1 . 2]" 1
54 1 72 GLY H 1 73 ARG H . . 4.530 2.667 2.453 3.144 . 0 0 "[ . 1 . 2]" 1
55 1 21 MET HB3 1 22 LYS H . . 4.270 3.805 3.622 4.098 . 0 0 "[ . 1 . 2]" 1
56 1 22 LYS H 1 22 LYS HG3 . . 4.700 3.040 1.934 4.036 . 0 0 "[ . 1 . 2]" 1
57 1 109 ASP H 1 109 ASP HB3 . . 4.150 3.220 2.430 3.940 . 0 0 "[ . 1 . 2]" 1
58 1 73 ARG H 1 73 ARG QB . . 3.380 2.557 2.211 2.663 . 0 0 "[ . 1 . 2]" 1
59 1 37 TYR H 1 38 ASP H . . 4.180 2.734 2.401 2.920 . 0 0 "[ . 1 . 2]" 1
60 1 37 TYR H 1 79 THR HA . . 3.950 2.928 2.013 3.736 . 0 0 "[ . 1 . 2]" 1
61 1 37 TYR H 1 37 TYR HB2 . . 3.740 2.562 2.230 3.022 . 0 0 "[ . 1 . 2]" 1
62 1 37 TYR H 1 37 TYR HB3 . . 3.740 2.557 2.201 2.919 . 0 0 "[ . 1 . 2]" 1
63 1 21 MET HB2 1 22 LYS H . . 3.950 2.414 2.163 2.862 . 0 0 "[ . 1 . 2]" 1
64 1 22 LYS H 1 22 LYS HD2 . . 5.500 4.373 2.811 4.971 . 0 0 "[ . 1 . 2]" 1
65 1 22 LYS H 1 22 LYS HD3 . . 5.500 3.980 1.890 5.077 . 0 0 "[ . 1 . 2]" 1
66 1 11 ILE H 1 11 ILE HG12 . . 4.260 2.917 1.921 4.154 . 0 0 "[ . 1 . 2]" 1
67 1 46 SER H 1 47 ARG H . . 3.280 2.636 2.256 3.036 . 0 0 "[ . 1 . 2]" 1
68 1 32 ASN H 1 47 ARG H . . 3.690 2.971 2.576 3.410 . 0 0 "[ . 1 . 2]" 1
69 1 45 VAL HA 1 47 ARG H . . 4.590 4.426 4.210 4.535 . 0 0 "[ . 1 . 2]" 1
70 1 32 ASN HB3 1 47 ARG H . . 4.830 2.974 2.296 3.477 . 0 0 "[ . 1 . 2]" 1
71 1 47 ARG H 1 47 ARG HB2 . . 3.960 3.126 2.856 3.265 . 0 0 "[ . 1 . 2]" 1
72 1 47 ARG H 1 47 ARG HB3 . . 3.890 2.948 2.839 3.112 . 0 0 "[ . 1 . 2]" 1
73 1 45 VAL MG1 1 47 ARG H . . 3.400 2.878 2.601 3.216 . 0 0 "[ . 1 . 2]" 1
74 1 45 VAL MG2 1 47 ARG H . . 5.310 5.232 5.052 5.310 . 0 0 "[ . 1 . 2]" 1
75 1 80 HIS H 1 81 ASP H . . 4.360 3.054 2.728 3.247 . 0 0 "[ . 1 . 2]" 1
76 1 79 THR HB 1 80 HIS H . . 4.430 2.471 2.141 2.768 . 0 0 "[ . 1 . 2]" 1
77 1 80 HIS H 1 80 HIS QB . . 3.710 2.256 2.204 2.295 . 0 0 "[ . 1 . 2]" 1
78 1 10 GLY QA 1 11 ILE H . . 3.460 2.272 2.111 2.572 . 0 0 "[ . 1 . 2]" 1
79 1 11 ILE H 1 11 ILE HB . . 3.610 3.258 2.485 3.623 0.013 8 0 "[ . 1 . 2]" 1
80 1 11 ILE H 1 11 ILE HG13 . . 4.260 3.214 2.073 3.843 . 0 0 "[ . 1 . 2]" 1
81 1 66 GLN H 1 66 GLN HB3 . . 3.730 2.438 2.314 2.653 . 0 0 "[ . 1 . 2]" 1
82 1 59 PRO HA 1 60 ARG H . . 3.070 2.270 2.162 2.522 . 0 0 "[ . 1 . 2]" 1
83 1 58 VAL HA 1 60 ARG H . . 3.530 2.730 2.296 3.447 . 0 0 "[ . 1 . 2]" 1
84 1 59 PRO HB2 1 60 ARG H . . 4.330 3.063 2.323 3.458 . 0 0 "[ . 1 . 2]" 1
85 1 60 ARG H 1 60 ARG HB2 . . 3.600 2.746 2.350 3.591 . 0 0 "[ . 1 . 2]" 1
86 1 60 ARG H 1 60 ARG HG3 . . 4.670 4.512 3.887 4.679 0.009 14 0 "[ . 1 . 2]" 1
87 1 60 ARG H 1 60 ARG HB3 . . 3.600 2.413 2.220 2.707 . 0 0 "[ . 1 . 2]" 1
88 1 58 VAL MG1 1 60 ARG H . . 4.980 4.049 3.046 4.984 0.004 4 0 "[ . 1 . 2]" 1
89 1 58 VAL MG2 1 60 ARG H . . 4.980 3.695 2.993 4.539 . 0 0 "[ . 1 . 2]" 1
90 1 101 LEU HA 1 102 VAL H . . 3.230 2.178 2.160 2.190 . 0 0 "[ . 1 . 2]" 1
91 1 19 ILE QG 1 102 VAL H . . 4.540 3.548 3.094 3.887 . 0 0 "[ . 1 . 2]" 1
92 1 66 GLN H 1 103 ARG H . . 4.270 3.474 2.249 3.952 . 0 0 "[ . 1 . 2]" 1
93 1 65 ASP HA 1 66 GLN H . . 3.250 2.199 2.140 2.291 . 0 0 "[ . 1 . 2]" 1
94 1 66 GLN H 1 66 GLN HB2 . . 3.730 2.709 2.401 2.987 . 0 0 "[ . 1 . 2]" 1
95 1 83 VAL H 1 83 VAL HB . . 3.650 2.573 2.347 2.734 . 0 0 "[ . 1 . 2]" 1
96 1 88 LYS H 1 89 ALA H . . 4.240 2.804 2.590 3.033 . 0 0 "[ . 1 . 2]" 1
97 1 88 LYS HB2 1 89 ALA H . . 4.510 2.781 2.427 3.991 . 0 0 "[ . 1 . 2]" 1
98 1 101 LEU HG 1 102 VAL H . . 4.430 3.713 3.521 3.905 . 0 0 "[ . 1 . 2]" 1
99 1 109 ASP H 1 110 VAL H . . 4.950 4.292 3.599 4.575 . 0 0 "[ . 1 . 2]" 1
100 1 110 VAL H 1 111 VAL H . . 5.270 4.402 3.858 4.631 . 0 0 "[ . 1 . 2]" 1
101 1 109 ASP HA 1 110 VAL H . . 2.850 2.271 2.141 2.559 . 0 0 "[ . 1 . 2]" 1
102 1 110 VAL H 1 110 VAL HB . . 3.200 2.712 2.441 3.185 . 0 0 "[ . 1 . 2]" 1
103 1 110 VAL H 1 110 VAL MG1 . . 4.420 3.108 1.930 3.877 . 0 0 "[ . 1 . 2]" 1
104 1 110 VAL H 1 110 VAL MG2 . . 4.420 3.056 2.076 3.904 . 0 0 "[ . 1 . 2]" 1
105 1 34 LYS H 1 34 LYS QG . . 3.950 2.453 2.292 2.594 . 0 0 "[ . 1 . 2]" 1
106 1 34 LYS H 1 44 ILE H . . 4.110 2.989 2.650 3.443 . 0 0 "[ . 1 . 2]" 1
107 1 33 VAL HB 1 34 LYS H . . 3.690 2.473 2.193 2.969 . 0 0 "[ . 1 . 2]" 1
108 1 63 GLU H 1 63 GLU HB2 . . 3.980 2.592 2.328 3.619 . 0 0 "[ . 1 . 2]" 1
109 1 61 LEU HA 1 62 ASN H . . 3.180 2.202 2.145 2.298 . 0 0 "[ . 1 . 2]" 1
110 1 62 ASN H 1 62 ASN HB2 . . 4.130 3.376 2.245 3.789 . 0 0 "[ . 1 . 2]" 1
111 1 61 LEU HG 1 62 ASN H . . 4.200 3.632 2.981 4.155 . 0 0 "[ . 1 . 2]" 1
112 1 61 LEU HB2 1 62 ASN H . . 4.750 4.503 4.340 4.604 . 0 0 "[ . 1 . 2]" 1
113 1 63 GLU H 1 63 GLU HB3 . . 3.980 3.546 2.724 3.610 . 0 0 "[ . 1 . 2]" 1
114 1 86 PHE H 1 87 ILE H . . 3.710 2.916 2.748 3.204 . 0 0 "[ . 1 . 2]" 1
115 1 84 VAL H 1 86 PHE H . . 4.480 4.206 3.929 4.471 . 0 0 "[ . 1 . 2]" 1
116 1 85 LEU H 1 86 PHE H . . 3.580 2.611 2.440 2.779 . 0 0 "[ . 1 . 2]" 1
117 1 86 PHE H 1 86 PHE HB2 . . 3.710 2.307 2.179 2.584 . 0 0 "[ . 1 . 2]" 1
118 1 86 PHE H 1 86 PHE HB3 . . 3.710 2.845 2.477 3.545 . 0 0 "[ . 1 . 2]" 1
119 1 84 VAL HB 1 86 PHE H . . 5.500 4.921 4.637 5.324 . 0 0 "[ . 1 . 2]" 1
120 1 86 PHE H 1 87 ILE HB . . 5.500 5.137 4.929 5.310 . 0 0 "[ . 1 . 2]" 1
121 1 85 LEU HB2 1 86 PHE H . . 4.230 2.804 2.620 3.111 . 0 0 "[ . 1 . 2]" 1
122 1 85 LEU HB3 1 86 PHE H . . 4.230 3.335 3.045 3.629 . 0 0 "[ . 1 . 2]" 1
123 1 83 VAL QG 1 86 PHE H . . 5.320 4.209 3.928 4.622 . 0 0 "[ . 1 . 2]" 1
124 1 85 LEU MD1 1 86 PHE H . . 5.500 4.365 4.018 4.742 . 0 0 "[ . 1 . 2]" 1
125 1 85 LEU MD2 1 86 PHE H . . 5.500 4.590 4.104 4.965 . 0 0 "[ . 1 . 2]" 1
126 1 87 ILE H 1 88 LYS H . . 3.920 2.793 2.556 3.176 . 0 0 "[ . 1 . 2]" 1
127 1 87 ILE H 1 87 ILE HB . . 3.580 2.601 2.522 2.665 . 0 0 "[ . 1 . 2]" 1
128 1 85 LEU H 1 85 LEU HB2 . . 3.890 2.191 2.164 2.313 . 0 0 "[ . 1 . 2]" 1
129 1 84 VAL H 1 85 LEU H . . 3.600 2.914 2.719 3.148 . 0 0 "[ . 1 . 2]" 1
130 1 84 VAL HB 1 85 LEU H . . 3.930 2.509 2.210 2.978 . 0 0 "[ . 1 . 2]" 1
131 1 104 PRO HA 1 105 ASN H . . 2.960 2.212 2.152 2.377 . 0 0 "[ . 1 . 2]" 1
132 1 105 ASN H 1 105 ASN HB3 . . 3.740 2.993 2.322 3.740 0.000 4 0 "[ . 1 . 2]" 1
133 1 104 PRO HB3 1 105 ASN H . . 4.140 3.829 3.486 4.097 . 0 0 "[ . 1 . 2]" 1
134 1 43 VAL H 1 43 VAL HB . . 3.540 2.552 2.404 2.616 . 0 0 "[ . 1 . 2]" 1
135 1 42 PRO HB2 1 43 VAL H . . 3.910 2.952 2.572 3.255 . 0 0 "[ . 1 . 2]" 1
136 1 104 PRO HB2 1 105 ASN H . . 4.050 3.258 2.675 3.672 . 0 0 "[ . 1 . 2]" 1
137 1 43 VAL H 1 75 ILE MD . . 4.610 4.107 3.246 4.613 0.003 13 0 "[ . 1 . 2]" 1
138 1 55 ASP H 1 57 CYS H . . 4.350 3.473 3.167 3.863 . 0 0 "[ . 1 . 2]" 1
139 1 53 PRO HA 1 57 CYS H . . 4.400 3.967 3.631 4.350 . 0 0 "[ . 1 . 2]" 1
140 1 54 ALA HA 1 57 CYS H . . 4.760 4.058 3.671 4.400 . 0 0 "[ . 1 . 2]" 1
141 1 57 CYS H 1 60 ARG HA . . 4.440 4.268 3.756 4.447 0.007 12 0 "[ . 1 . 2]" 1
142 1 57 CYS H 1 57 CYS HB2 . . 3.840 3.578 3.554 3.592 . 0 0 "[ . 1 . 2]" 1
143 1 57 CYS H 1 57 CYS HB3 . . 3.840 2.452 2.304 2.739 . 0 0 "[ . 1 . 2]" 1
144 1 56 LEU QB 1 57 CYS H . . 3.920 2.847 2.516 3.186 . 0 0 "[ . 1 . 2]" 1
145 1 87 ILE HB 1 88 LYS H . . 3.680 2.410 2.082 2.734 . 0 0 "[ . 1 . 2]" 1
146 1 88 LYS H 1 88 LYS HG2 . . 4.740 3.616 2.129 4.446 . 0 0 "[ . 1 . 2]" 1
147 1 88 LYS H 1 88 LYS HG3 . . 4.740 2.831 2.280 4.140 . 0 0 "[ . 1 . 2]" 1
148 1 88 LYS H 1 88 LYS HB3 . . 3.900 3.470 2.386 3.594 . 0 0 "[ . 1 . 2]" 1
149 1 78 HIS H 1 78 HIS QB . . 3.880 2.365 2.170 2.610 . 0 0 "[ . 1 . 2]" 1
150 1 31 PHE QD 1 32 ASN H . . 4.470 3.676 3.189 4.057 . 0 0 "[ . 1 . 2]" 1
151 1 31 PHE HA 1 32 ASN H . . 3.320 2.169 2.140 2.293 . 0 0 "[ . 1 . 2]" 1
152 1 31 PHE HB2 1 32 ASN H . . 4.430 3.249 2.801 3.460 . 0 0 "[ . 1 . 2]" 1
153 1 31 PHE HB3 1 32 ASN H . . 4.430 4.290 4.077 4.407 . 0 0 "[ . 1 . 2]" 1
154 1 32 ASN H 1 47 ARG HB3 . . 4.450 4.300 4.101 4.451 0.001 16 0 "[ . 1 . 2]" 1
155 1 26 ASN H 1 28 ARG H . . 4.260 3.971 3.047 4.259 . 0 0 "[ . 1 . 2]" 1
156 1 28 ARG H 1 28 ARG HB2 . . 4.100 3.326 2.400 3.989 . 0 0 "[ . 1 . 2]" 1
157 1 28 ARG H 1 28 ARG HB3 . . 4.100 3.409 2.579 3.840 . 0 0 "[ . 1 . 2]" 1
158 1 28 ARG H 1 28 ARG QG . . 3.790 2.652 2.093 3.610 . 0 0 "[ . 1 . 2]" 1
159 1 58 VAL H 1 59 PRO HA . . 4.820 4.759 4.718 4.809 . 0 0 "[ . 1 . 2]" 1
160 1 57 CYS HA 1 58 VAL H . . 2.950 2.385 2.184 2.525 . 0 0 "[ . 1 . 2]" 1
161 1 57 CYS HB2 1 58 VAL H . . 4.070 2.563 2.273 3.094 . 0 0 "[ . 1 . 2]" 1
162 1 58 VAL H 1 58 VAL HB . . 3.400 2.854 2.529 3.415 0.015 16 0 "[ . 1 . 2]" 1
163 1 83 VAL H 1 84 VAL H . . 3.980 3.053 2.706 3.259 . 0 0 "[ . 1 . 2]" 1
164 1 83 VAL HB 1 84 VAL H . . 3.750 2.333 2.063 2.662 . 0 0 "[ . 1 . 2]" 1
165 1 84 VAL H 1 84 VAL HB . . 3.470 2.561 2.456 2.729 . 0 0 "[ . 1 . 2]" 1
166 1 84 VAL H 1 84 VAL MG1 . . 4.350 3.767 3.753 3.784 . 0 0 "[ . 1 . 2]" 1
167 1 107 VAL H 1 107 VAL HB . . 3.640 3.027 2.498 3.648 0.008 5 0 "[ . 1 . 2]" 1
168 1 106 ALA MB 1 107 VAL H . . 3.570 3.194 2.253 3.611 0.041 20 0 "[ . 1 . 2]" 1
169 1 107 VAL H 1 107 VAL MG2 . . 4.120 2.950 1.897 4.044 . 0 0 "[ . 1 . 2]" 1
170 1 82 GLN H 1 83 VAL H . . 3.860 2.955 2.623 3.140 . 0 0 "[ . 1 . 2]" 1
171 1 81 ASP HB3 1 82 GLN H . . 4.510 3.198 2.125 3.919 . 0 0 "[ . 1 . 2]" 1
172 1 82 GLN H 1 82 GLN HB2 . . 4.090 2.379 2.166 3.006 . 0 0 "[ . 1 . 2]" 1
173 1 82 GLN H 1 82 GLN QG . . 3.810 2.943 2.153 3.908 0.098 9 0 "[ . 1 . 2]" 1
174 1 82 GLN H 1 82 GLN HB3 . . 4.090 3.323 2.242 3.588 . 0 0 "[ . 1 . 2]" 1
175 1 69 LEU HA 1 75 ILE H . . 4.480 3.330 2.792 3.806 . 0 0 "[ . 1 . 2]" 1
176 1 75 ILE H 1 75 ILE HG12 . . 3.810 3.399 2.508 3.644 . 0 0 "[ . 1 . 2]" 1
177 1 75 ILE H 1 75 ILE HG13 . . 3.810 1.985 1.899 2.394 . 0 0 "[ . 1 . 2]" 1
178 1 21 MET H 1 98 LEU H . . 4.090 3.541 2.968 3.954 . 0 0 "[ . 1 . 2]" 1
179 1 20 ARG HA 1 21 MET H . . 3.100 2.153 2.141 2.191 . 0 0 "[ . 1 . 2]" 1
180 1 21 MET H 1 97 GLU QB . . 4.990 4.176 3.035 4.991 0.001 8 0 "[ . 1 . 2]" 1
181 1 20 ARG HB2 1 21 MET H . . 4.950 4.330 4.128 4.478 . 0 0 "[ . 1 . 2]" 1
182 1 20 ARG HB3 1 21 MET H . . 4.950 3.423 3.141 4.048 . 0 0 "[ . 1 . 2]" 1
183 1 97 GLU H 1 97 GLU QB . . 3.880 2.638 2.235 3.277 . 0 0 "[ . 1 . 2]" 1
184 1 38 ASP H 1 39 GLN H . . 3.690 2.721 2.478 2.899 . 0 0 "[ . 1 . 2]" 1
185 1 39 GLN H 1 39 GLN HG2 . . 4.160 3.500 2.826 4.160 0.000 20 0 "[ . 1 . 2]" 1
186 1 69 LEU HA 1 70 ILE H . . 3.310 2.249 2.162 2.475 . 0 0 "[ . 1 . 2]" 1
187 1 69 LEU HB2 1 70 ILE H . . 4.220 3.928 3.414 4.181 . 0 0 "[ . 1 . 2]" 1
188 1 70 ILE H 1 70 ILE HB . . 3.830 2.564 2.391 2.792 . 0 0 "[ . 1 . 2]" 1
189 1 69 LEU HB3 1 70 ILE H . . 4.220 2.869 2.274 3.194 . 0 0 "[ . 1 . 2]" 1
190 1 25 GLU H 1 25 GLU QB . . 3.880 2.364 2.146 2.629 . 0 0 "[ . 1 . 2]" 1
191 1 24 ASP HB2 1 25 GLU H . . 4.260 3.362 2.235 3.874 . 0 0 "[ . 1 . 2]" 1
192 1 25 GLU H 1 26 ASN H . . 4.260 2.899 2.588 3.232 . 0 0 "[ . 1 . 2]" 1
193 1 26 ASN H 1 27 GLY H . . 3.370 2.533 2.198 2.959 . 0 0 "[ . 1 . 2]" 1
194 1 26 ASN H 1 26 ASN HB2 . . 3.970 2.405 2.230 2.728 . 0 0 "[ . 1 . 2]" 1
195 1 26 ASN H 1 26 ASN HB3 . . 3.970 3.475 2.656 3.745 . 0 0 "[ . 1 . 2]" 1
196 1 25 GLU QG 1 26 ASN H . . 4.310 3.704 1.917 4.300 . 0 0 "[ . 1 . 2]" 1
197 1 25 GLU QB 1 26 ASN H . . 4.440 2.590 2.078 3.773 . 0 0 "[ . 1 . 2]" 1
198 1 54 ALA H 1 55 ASP H . . 3.760 2.070 1.994 2.208 . 0 0 "[ . 1 . 2]" 1
199 1 54 ALA H 1 54 ALA MB . . 3.210 2.290 2.176 2.419 . 0 0 "[ . 1 . 2]" 1
200 1 81 ASP H 1 82 GLN H . . 4.170 3.003 2.762 3.203 . 0 0 "[ . 1 . 2]" 1
201 1 80 HIS QB 1 81 ASP H . . 3.880 2.299 2.097 2.594 . 0 0 "[ . 1 . 2]" 1
202 1 81 ASP H 1 81 ASP HB3 . . 3.840 3.333 2.361 3.609 . 0 0 "[ . 1 . 2]" 1
203 1 40 LYS HA 1 41 MET H . . 3.480 2.839 2.639 2.956 . 0 0 "[ . 1 . 2]" 1
204 1 41 MET H 1 41 MET HB2 . . 4.050 3.869 3.786 3.962 . 0 0 "[ . 1 . 2]" 1
205 1 41 MET H 1 41 MET HB3 . . 3.810 2.993 2.886 3.165 . 0 0 "[ . 1 . 2]" 1
206 1 55 ASP H 1 56 LEU H . . 3.360 2.306 1.944 2.559 . 0 0 "[ . 1 . 2]" 1
207 1 55 ASP HB3 1 56 LEU H . . 4.380 2.491 2.045 3.417 . 0 0 "[ . 1 . 2]" 1
208 1 56 LEU H 1 56 LEU HG . . 3.700 2.118 1.926 2.676 . 0 0 "[ . 1 . 2]" 1
209 1 56 LEU H 1 56 LEU QB . . 3.410 2.557 2.439 2.612 . 0 0 "[ . 1 . 2]" 1
210 1 56 LEU H 1 56 LEU MD1 . . 4.080 3.287 3.092 3.715 . 0 0 "[ . 1 . 2]" 1
211 1 39 GLN H 1 40 LYS H . . 3.400 2.613 2.162 2.836 . 0 0 "[ . 1 . 2]" 1
212 1 37 TYR HA 1 40 LYS H . . 4.230 3.397 3.159 3.713 . 0 0 "[ . 1 . 2]" 1
213 1 40 LYS H 1 40 LYS HG2 . . 4.340 3.524 2.250 4.341 0.001 15 0 "[ . 1 . 2]" 1
214 1 55 ASP HB2 1 56 LEU H . . 4.380 3.581 3.303 4.050 . 0 0 "[ . 1 . 2]" 1
215 1 68 VAL H 1 69 LEU H . . 3.440 2.385 2.062 2.611 . 0 0 "[ . 1 . 2]" 1
216 1 69 LEU H 1 101 LEU H . . 3.930 3.321 2.905 3.618 . 0 0 "[ . 1 . 2]" 1
217 1 68 VAL HB 1 69 LEU H . . 3.590 2.506 2.253 2.763 . 0 0 "[ . 1 . 2]" 1
218 1 69 LEU H 1 101 LEU HB2 . . 4.320 3.895 3.387 4.176 . 0 0 "[ . 1 . 2]" 1
219 1 69 LEU H 1 69 LEU HG . . 4.400 3.292 2.884 3.575 . 0 0 "[ . 1 . 2]" 1
220 1 69 LEU H 1 101 LEU HB3 . . 4.320 2.373 1.986 2.794 . 0 0 "[ . 1 . 2]" 1
221 1 68 VAL MG1 1 69 LEU H . . 4.150 3.464 3.258 3.680 . 0 0 "[ . 1 . 2]" 1
222 1 69 LEU H 1 101 LEU MD2 . . 4.470 3.670 3.023 4.066 . 0 0 "[ . 1 . 2]" 1
223 1 67 VAL MG1 1 69 LEU H . . 3.880 2.813 2.240 3.378 . 0 0 "[ . 1 . 2]" 1
224 1 79 THR H 1 82 GLN HB2 . . 4.750 2.768 2.029 3.662 . 0 0 "[ . 1 . 2]" 1
225 1 78 HIS QB 1 79 THR H . . 4.560 2.707 2.218 3.360 . 0 0 "[ . 1 . 2]" 1
226 1 45 VAL HB 1 64 GLY H . . 4.080 2.541 2.092 3.178 . 0 0 "[ . 1 . 2]" 1
227 1 76 ALA H 1 77 GLU H . . 4.180 2.640 2.337 2.939 . 0 0 "[ . 1 . 2]" 1
228 1 77 GLU H 1 78 HIS H . . 3.860 2.487 2.119 2.866 . 0 0 "[ . 1 . 2]" 1
229 1 52 THR HG1 1 55 ASP H . . 4.470 3.564 2.914 4.015 . 0 0 "[ . 1 . 2]" 1
230 1 55 ASP H 1 55 ASP HB2 . . 3.890 2.577 2.449 2.769 . 0 0 "[ . 1 . 2]" 1
231 1 55 ASP H 1 55 ASP HB3 . . 3.890 2.804 2.630 2.866 . 0 0 "[ . 1 . 2]" 1
232 1 31 PHE H 1 31 PHE QD . . 3.720 3.231 2.870 3.423 . 0 0 "[ . 1 . 2]" 1
233 1 31 PHE H 1 54 ALA MB . . 4.380 4.002 3.634 4.346 . 0 0 "[ . 1 . 2]" 1
234 1 30 GLY H 1 31 PHE H . . 3.810 3.176 2.100 3.800 . 0 0 "[ . 1 . 2]" 1
235 1 50 PRO HB3 1 51 GLY H . . 4.490 3.417 3.200 3.558 . 0 0 "[ . 1 . 2]" 1
236 1 32 ASN HB2 1 33 VAL H . . 4.350 3.935 3.670 4.285 . 0 0 "[ . 1 . 2]" 1
237 1 33 VAL H 1 33 VAL MG1 . . 4.270 3.004 2.780 3.410 . 0 0 "[ . 1 . 2]" 1
238 1 33 VAL H 1 33 VAL MG2 . . 3.510 2.168 1.888 2.402 . 0 0 "[ . 1 . 2]" 1
239 1 51 GLY H 1 52 THR H . . 3.710 2.835 2.629 2.994 . 0 0 "[ . 1 . 2]" 1
240 1 52 THR H 1 55 ASP H . . 3.830 3.753 3.640 3.871 0.041 20 0 "[ . 1 . 2]" 1
241 1 52 THR H 1 52 THR HG1 . . 3.530 2.729 2.019 3.531 0.001 16 0 "[ . 1 . 2]" 1
242 1 50 PRO HA 1 52 THR H . . 4.120 3.542 3.097 3.993 . 0 0 "[ . 1 . 2]" 1
243 1 52 THR H 1 55 ASP HB2 . . 3.700 3.656 3.521 3.708 0.008 20 0 "[ . 1 . 2]" 1
244 1 52 THR H 1 55 ASP HB3 . . 3.700 3.104 2.785 3.428 . 0 0 "[ . 1 . 2]" 1
245 1 49 ALA MB 1 52 THR H . . 5.500 5.235 4.571 5.487 . 0 0 "[ . 1 . 2]" 1
246 1 52 THR H 1 54 ALA MB . . 5.500 5.408 5.245 5.504 0.004 18 0 "[ . 1 . 2]" 1
247 1 52 THR H 1 56 LEU MD1 . . 4.340 3.226 2.829 3.674 . 0 0 "[ . 1 . 2]" 1
248 1 31 PHE HA 1 49 ALA H . . 4.340 3.858 3.428 4.297 . 0 0 "[ . 1 . 2]" 1
249 1 48 VAL HA 1 49 ALA H . . 3.160 2.155 2.140 2.321 . 0 0 "[ . 1 . 2]" 1
250 1 95 SER QB 1 96 GLY H . . 4.260 3.137 1.914 4.031 . 0 0 "[ . 1 . 2]" 1
251 1 23 PRO HB2 1 27 GLY H . . 4.530 3.971 3.527 4.187 . 0 0 "[ . 1 . 2]" 1
252 1 19 ILE H 1 19 ILE HB . . 3.840 2.592 2.440 2.681 . 0 0 "[ . 1 . 2]" 1
253 1 18 LEU H 1 18 LEU HB2 . . 3.820 3.082 2.721 3.332 . 0 0 "[ . 1 . 2]" 1
254 1 18 LEU H 1 18 LEU HB3 . . 3.820 2.478 2.379 2.594 . 0 0 "[ . 1 . 2]" 1
255 1 70 ILE HA 1 71 ASN H . . 3.370 2.153 2.140 2.216 . 0 0 "[ . 1 . 2]" 1
256 1 55 ASP HA 1 60 ARG HE . . 4.430 4.158 3.579 4.443 0.013 14 0 "[ . 1 . 2]" 1
257 1 44 ILE H 1 44 ILE HG12 . . 4.830 4.086 2.380 4.520 . 0 0 "[ . 1 . 2]" 1
258 1 44 ILE H 1 44 ILE HG13 . . 4.830 3.688 3.445 3.934 . 0 0 "[ . 1 . 2]" 1
259 1 44 ILE H 1 44 ILE HB . . 3.790 2.656 2.508 2.846 . 0 0 "[ . 1 . 2]" 1
260 1 43 VAL MG2 1 44 ILE H . . 4.330 4.191 4.101 4.260 . 0 0 "[ . 1 . 2]" 1
261 1 66 GLN HG3 1 67 VAL H . . 4.360 3.512 2.856 4.361 0.001 14 0 "[ . 1 . 2]" 1
262 1 44 ILE HA 1 67 VAL H . . 3.980 2.984 2.581 3.406 . 0 0 "[ . 1 . 2]" 1
263 1 66 GLN HG2 1 67 VAL H . . 4.360 3.169 2.175 4.104 . 0 0 "[ . 1 . 2]" 1
264 1 67 VAL H 1 67 VAL HB . . 3.520 2.587 2.520 2.686 . 0 0 "[ . 1 . 2]" 1
265 1 43 VAL MG1 1 67 VAL H . . 3.980 3.727 3.228 3.977 . 0 0 "[ . 1 . 2]" 1
266 1 34 LYS HA 1 35 GLY H . . 3.360 2.281 2.146 2.498 . 0 0 "[ . 1 . 2]" 1
267 1 34 LYS HB3 1 35 GLY H . . 4.240 3.986 3.732 4.245 0.005 20 0 "[ . 1 . 2]" 1
268 1 68 VAL H 1 102 VAL MG1 . . 4.460 3.723 3.392 4.081 . 0 0 "[ . 1 . 2]" 1
269 1 48 VAL H 1 48 VAL HB . . 3.700 2.806 2.674 2.897 . 0 0 "[ . 1 . 2]" 1
270 1 68 VAL H 1 68 VAL HB . . 3.950 2.552 2.469 2.663 . 0 0 "[ . 1 . 2]" 1
271 1 33 VAL HA 1 46 SER H . . 3.650 2.390 1.906 2.832 . 0 0 "[ . 1 . 2]" 1
272 1 33 VAL MG1 1 46 SER H . . 4.390 3.701 3.429 3.960 . 0 0 "[ . 1 . 2]" 1
273 1 45 VAL MG2 1 46 SER H . . 4.310 3.964 3.861 4.118 . 0 0 "[ . 1 . 2]" 1
274 1 97 GLU QB 1 98 LEU H . . 4.170 2.620 2.165 3.844 . 0 0 "[ . 1 . 2]" 1
275 1 98 LEU H 1 98 LEU HB2 . . 4.080 2.687 2.279 3.281 . 0 0 "[ . 1 . 2]" 1
276 1 96 GLY H 1 97 GLU H . . 4.460 3.441 2.432 4.402 . 0 0 "[ . 1 . 2]" 1
277 1 27 GLY H 1 28 ARG H . . 3.550 2.624 2.203 3.140 . 0 0 "[ . 1 . 2]" 1
278 1 35 GLY H 1 36 GLY H . . 4.810 4.479 4.264 4.617 . 0 0 "[ . 1 . 2]" 1
279 1 40 LYS H 1 41 MET H . . 3.580 2.959 2.746 3.132 . 0 0 "[ . 1 . 2]" 1
280 1 56 LEU H 1 57 CYS H . . 3.080 2.583 2.005 2.915 . 0 0 "[ . 1 . 2]" 1
281 1 57 CYS H 1 58 VAL H . . 4.800 4.624 4.578 4.646 . 0 0 "[ . 1 . 2]" 1
282 1 69 LEU MD1 1 73 ARG H . . 5.500 4.342 3.922 5.272 . 0 0 "[ . 1 . 2]" 1
283 1 69 LEU MD2 1 73 ARG H . . 5.500 3.813 2.968 5.247 . 0 0 "[ . 1 . 2]" 1
284 1 98 LEU H 1 98 LEU HB3 . . 4.080 2.724 2.199 2.964 . 0 0 "[ . 1 . 2]" 1
285 1 69 LEU HB2 1 69 LEU MD1 . . 3.640 2.250 2.101 2.367 . 0 0 "[ . 1 . 2]" 1
286 1 23 PRO HB3 1 27 GLY HA2 . . 4.640 3.262 2.946 3.402 . 0 0 "[ . 1 . 2]" 1
287 1 23 PRO HB2 1 27 GLY HA2 . . 4.130 2.088 2.005 2.288 . 0 0 "[ . 1 . 2]" 1
288 1 23 PRO HB2 1 27 GLY HA3 . . 4.130 3.508 2.417 3.767 . 0 0 "[ . 1 . 2]" 1
289 1 23 PRO HB3 1 27 GLY HA3 . . 4.640 4.454 3.350 4.637 . 0 0 "[ . 1 . 2]" 1
290 1 70 ILE H 1 70 ILE MD . . 4.650 3.876 3.611 4.283 . 0 0 "[ . 1 . 2]" 1
291 1 70 ILE MD 1 86 PHE QD . . 4.200 3.012 2.240 4.038 . 0 0 "[ . 1 . 2]" 1
292 1 70 ILE HA 1 70 ILE MD . . 4.290 3.753 2.236 3.891 . 0 0 "[ . 1 . 2]" 1
293 1 70 ILE MD 1 70 ILE MG . . 3.140 2.107 1.878 2.379 . 0 0 "[ . 1 . 2]" 1
294 1 51 GLY HA2 1 56 LEU MD1 . . 4.330 2.736 2.432 2.984 . 0 0 "[ . 1 . 2]" 1
295 1 50 PRO HA 1 51 GLY HA3 . . 4.830 4.623 4.530 4.757 . 0 0 "[ . 1 . 2]" 1
296 1 19 ILE HB 1 100 LEU HB2 . . 4.120 2.126 2.004 2.526 . 0 0 "[ . 1 . 2]" 1
297 1 70 ILE MD 1 87 ILE H . . 4.560 4.061 3.704 4.537 . 0 0 "[ . 1 . 2]" 1
298 1 70 ILE MD 1 83 VAL HA . . 4.500 3.836 3.257 4.486 . 0 0 "[ . 1 . 2]" 1
299 1 70 ILE MD 1 87 ILE HA . . 4.500 4.160 3.747 4.498 . 0 0 "[ . 1 . 2]" 1
300 1 70 ILE MD 1 83 VAL QG . . 3.980 2.296 2.054 2.688 . 0 0 "[ . 1 . 2]" 1
301 1 71 ASN HA 1 72 GLY HA2 . . 5.250 4.793 4.685 4.866 . 0 0 "[ . 1 . 2]" 1
302 1 72 GLY HA2 1 73 ARG HA . . 5.500 4.440 4.378 4.690 . 0 0 "[ . 1 . 2]" 1
303 1 69 LEU MD1 1 72 GLY HA2 . . 3.870 3.295 3.019 3.507 . 0 0 "[ . 1 . 2]" 1
304 1 43 VAL HB 1 75 ILE MD . . 3.600 3.020 2.470 3.488 . 0 0 "[ . 1 . 2]" 1
305 1 67 VAL HB 1 75 ILE MD . . 3.820 3.211 2.606 3.565 . 0 0 "[ . 1 . 2]" 1
306 1 30 GLY HA3 1 54 ALA MB . . 5.070 3.264 2.860 3.736 . 0 0 "[ . 1 . 2]" 1
307 1 30 GLY HA3 1 52 THR HB . . 4.090 2.140 2.004 2.436 . 0 0 "[ . 1 . 2]" 1
308 1 75 ILE H 1 75 ILE MD . . 3.930 3.373 2.845 3.853 . 0 0 "[ . 1 . 2]" 1
309 1 75 ILE MD 1 76 ALA HA . . 3.780 2.694 2.222 3.801 0.021 19 0 "[ . 1 . 2]" 1
310 1 75 ILE HB 1 75 ILE MD . . 3.550 2.158 2.083 2.273 . 0 0 "[ . 1 . 2]" 1
311 1 55 ASP HB2 1 56 LEU HG . . 4.650 4.547 4.426 4.648 . 0 0 "[ . 1 . 2]" 1
312 1 52 THR HG1 1 55 ASP HB2 . . 4.720 2.778 2.257 3.280 . 0 0 "[ . 1 . 2]" 1
313 1 52 THR HG1 1 55 ASP HB3 . . 4.720 3.625 2.917 4.498 . 0 0 "[ . 1 . 2]" 1
314 1 84 VAL H 1 87 ILE MD . . 5.160 4.300 3.586 4.866 . 0 0 "[ . 1 . 2]" 1
315 1 87 ILE MD 1 88 LYS H . . 5.500 4.131 3.391 4.559 . 0 0 "[ . 1 . 2]" 1
316 1 87 ILE H 1 87 ILE MD . . 3.910 3.156 1.892 3.391 . 0 0 "[ . 1 . 2]" 1
317 1 31 PHE QE 1 87 ILE MD . . 3.460 2.672 1.944 3.443 . 0 0 "[ . 1 . 2]" 1
318 1 63 GLU HA 1 64 GLY HA2 . . 4.620 4.503 4.413 4.576 . 0 0 "[ . 1 . 2]" 1
319 1 115 GLY HA3 1 116 PRO QD . . 3.490 2.866 1.963 3.432 . 0 0 "[ . 1 . 2]" 1
320 1 35 GLY HA2 1 43 VAL HA . . 5.400 4.807 4.307 5.271 . 0 0 "[ . 1 . 2]" 1
321 1 35 GLY HA2 1 41 MET HB3 . . 5.500 4.637 4.333 4.988 . 0 0 "[ . 1 . 2]" 1
322 1 35 GLY HA2 1 41 MET HB2 . . 5.220 4.762 4.464 5.101 . 0 0 "[ . 1 . 2]" 1
323 1 18 LEU MD2 1 20 ARG HD2 . . 4.260 3.423 1.952 4.237 . 0 0 "[ . 1 . 2]" 1
324 1 54 ALA MB 1 61 LEU HB3 . . 4.300 2.843 2.145 3.270 . 0 0 "[ . 1 . 2]" 1
325 1 11 ILE HA 1 11 ILE MD . . 4.400 3.577 2.022 4.179 . 0 0 "[ . 1 . 2]" 1
326 1 16 LEU HB2 1 17 VAL H . . 4.640 3.989 3.636 4.201 . 0 0 "[ . 1 . 2]" 1
327 1 16 LEU HB2 1 101 LEU HG . . 4.660 4.117 2.661 4.609 . 0 0 "[ . 1 . 2]" 1
328 1 16 LEU HB3 1 17 VAL H . . 4.640 2.712 2.512 3.029 . 0 0 "[ . 1 . 2]" 1
329 1 16 LEU HB3 1 101 LEU HG . . 4.660 3.113 2.145 3.650 . 0 0 "[ . 1 . 2]" 1
330 1 19 ILE MD 1 62 ASN H . . 4.630 4.469 4.191 4.626 . 0 0 "[ . 1 . 2]" 1
331 1 19 ILE H 1 19 ILE MD . . 4.390 3.772 3.337 4.048 . 0 0 "[ . 1 . 2]" 1
332 1 19 ILE HA 1 19 ILE MD . . 3.610 2.196 2.020 2.346 . 0 0 "[ . 1 . 2]" 1
333 1 19 ILE MD 1 61 LEU HA . . 3.650 2.829 2.438 3.124 . 0 0 "[ . 1 . 2]" 1
334 1 19 ILE MD 1 59 PRO QD . . 4.300 2.909 2.549 3.691 . 0 0 "[ . 1 . 2]" 1
335 1 19 ILE MD 1 57 CYS HG . . 4.760 3.733 3.087 4.345 . 0 0 "[ . 1 . 2]" 1
336 1 19 ILE MD 1 59 PRO QG . . 3.260 1.961 1.878 2.226 . 0 0 "[ . 1 . 2]" 1
337 1 19 ILE MD 1 61 LEU HB3 . . 4.910 4.291 3.692 4.735 . 0 0 "[ . 1 . 2]" 1
338 1 19 ILE HB 1 19 ILE MD . . 3.690 3.208 3.183 3.229 . 0 0 "[ . 1 . 2]" 1
339 1 19 ILE MD 1 61 LEU MD1 . . 4.170 2.171 1.908 2.451 . 0 0 "[ . 1 . 2]" 1
340 1 47 ARG HD2 1 48 VAL H . . 4.600 3.146 1.901 4.219 . 0 0 "[ . 1 . 2]" 1
341 1 47 ARG HA 1 47 ARG HD2 . . 4.360 3.019 2.035 4.373 0.013 20 0 "[ . 1 . 2]" 1
342 1 47 ARG HD3 1 48 VAL H . . 4.600 3.866 2.433 4.597 . 0 0 "[ . 1 . 2]" 1
343 1 47 ARG HA 1 47 ARG HD3 . . 4.360 3.134 2.029 4.145 . 0 0 "[ . 1 . 2]" 1
344 1 17 VAL HA 1 18 LEU HB2 . . 4.720 4.578 4.419 4.693 . 0 0 "[ . 1 . 2]" 1
345 1 29 PHE HB2 1 31 PHE QD . . 4.450 3.155 2.234 3.576 . 0 0 "[ . 1 . 2]" 1
346 1 29 PHE HB2 1 31 PHE QE . . 4.770 2.893 2.334 3.425 . 0 0 "[ . 1 . 2]" 1
347 1 32 ASN HB2 1 47 ARG H . . 4.830 2.604 1.899 4.010 . 0 0 "[ . 1 . 2]" 1
348 1 32 ASN HB2 1 47 ARG HB3 . . 4.500 3.353 2.956 4.176 . 0 0 "[ . 1 . 2]" 1
349 1 32 ASN HB3 1 33 VAL H . . 4.350 2.895 2.331 3.811 . 0 0 "[ . 1 . 2]" 1
350 1 32 ASN HB3 1 47 ARG HB3 . . 4.500 4.203 3.549 4.501 0.001 20 0 "[ . 1 . 2]" 1
351 1 44 ILE MD 1 67 VAL H . . 4.480 4.209 3.158 4.480 . 0 0 "[ . 1 . 2]" 1
352 1 44 ILE H 1 44 ILE MD . . 4.370 2.488 1.861 3.384 . 0 0 "[ . 1 . 2]" 1
353 1 43 VAL H 1 44 ILE MD . . 4.280 3.413 3.138 4.031 . 0 0 "[ . 1 . 2]" 1
354 1 44 ILE MD 1 66 GLN HA . . 3.670 3.356 1.899 3.662 . 0 0 "[ . 1 . 2]" 1
355 1 44 ILE HA 1 44 ILE MD . . 3.390 3.087 1.977 3.349 . 0 0 "[ . 1 . 2]" 1
356 1 42 PRO HA 1 44 ILE MD . . 4.610 3.844 3.668 4.455 . 0 0 "[ . 1 . 2]" 1
357 1 44 ILE MD 1 66 GLN HG2 . . 4.420 3.858 3.141 4.417 . 0 0 "[ . 1 . 2]" 1
358 1 42 PRO HB3 1 44 ILE MD . . 4.330 3.488 3.276 3.818 . 0 0 "[ . 1 . 2]" 1
359 1 42 PRO HG2 1 44 ILE MD . . 3.730 1.979 1.815 2.626 . 0 0 "[ . 1 . 2]" 1
360 1 42 PRO HB2 1 44 ILE MD . . 3.700 2.036 1.917 2.443 . 0 0 "[ . 1 . 2]" 1
361 1 44 ILE HB 1 44 ILE MD . . 3.670 2.347 2.079 3.217 . 0 0 "[ . 1 . 2]" 1
362 1 29 PHE HB3 1 31 PHE QD . . 4.450 2.310 2.001 2.690 . 0 0 "[ . 1 . 2]" 1
363 1 29 PHE HB3 1 31 PHE QE . . 4.770 2.653 2.001 3.097 . 0 0 "[ . 1 . 2]" 1
364 1 40 LYS HB2 1 40 LYS QE . . 5.120 3.584 2.015 4.436 . 0 0 "[ . 1 . 2]" 1
365 1 40 LYS HB3 1 40 LYS QE . . 5.120 3.583 2.012 4.482 . 0 0 "[ . 1 . 2]" 1
366 1 34 LYS HE2 1 34 LYS QG . . 3.570 2.680 2.242 3.300 . 0 0 "[ . 1 . 2]" 1
367 1 34 LYS HE2 1 44 ILE MG . . 4.320 3.870 3.072 4.316 . 0 0 "[ . 1 . 2]" 1
368 1 34 LYS HE3 1 34 LYS QG . . 3.570 2.461 2.086 3.395 . 0 0 "[ . 1 . 2]" 1
369 1 88 LYS HB2 1 88 LYS QE . . 4.610 3.360 2.247 4.262 . 0 0 "[ . 1 . 2]" 1
370 1 88 LYS HB3 1 88 LYS QE . . 4.610 3.568 2.287 4.395 . 0 0 "[ . 1 . 2]" 1
371 1 84 VAL MG1 1 88 LYS QE . . 3.460 2.540 1.770 3.453 . 0 0 "[ . 1 . 2]" 1
372 1 62 ASN HB2 1 63 GLU H . . 4.330 2.922 2.299 3.919 . 0 0 "[ . 1 . 2]" 1
373 1 62 ASN HB3 1 63 GLU H . . 4.330 3.527 2.303 4.138 . 0 0 "[ . 1 . 2]" 1
374 1 62 ASN H 1 62 ASN HB3 . . 4.130 3.088 2.244 3.661 . 0 0 "[ . 1 . 2]" 1
375 1 109 ASP H 1 109 ASP HB2 . . 4.150 3.314 2.291 4.073 . 0 0 "[ . 1 . 2]" 1
376 1 85 LEU H 1 85 LEU HB3 . . 3.890 3.497 3.480 3.556 . 0 0 "[ . 1 . 2]" 1
377 1 82 GLN HA 1 85 LEU HB3 . . 4.460 4.324 3.925 4.467 0.007 9 0 "[ . 1 . 2]" 1
378 1 34 LYS QG 1 44 ILE HB . . 3.850 3.190 2.350 3.560 . 0 0 "[ . 1 . 2]" 1
379 1 74 ASP H 1 74 ASP HB2 . . 3.740 3.135 2.284 3.680 . 0 0 "[ . 1 . 2]" 1
380 1 69 LEU MD2 1 74 ASP HB2 . . 4.220 3.679 2.735 4.186 . 0 0 "[ . 1 . 2]" 1
381 1 74 ASP H 1 74 ASP HB3 . . 3.740 2.921 2.436 3.622 . 0 0 "[ . 1 . 2]" 1
382 1 24 ASP HB3 1 25 GLU H . . 4.260 2.863 1.925 3.756 . 0 0 "[ . 1 . 2]" 1
383 1 45 VAL HB 1 65 ASP HB2 . . 4.770 3.851 3.117 4.770 . 0 0 "[ . 1 . 2]" 1
384 1 65 ASP HB3 1 66 GLN H . . 4.330 3.897 3.416 4.284 . 0 0 "[ . 1 . 2]" 1
385 1 65 ASP HB2 1 102 VAL HB . . 4.680 3.896 2.065 4.584 . 0 0 "[ . 1 . 2]" 1
386 1 81 ASP HB2 1 82 GLN H . . 4.510 2.703 2.143 3.734 . 0 0 "[ . 1 . 2]" 1
387 1 81 ASP H 1 81 ASP HB2 . . 3.840 2.624 2.210 3.562 . 0 0 "[ . 1 . 2]" 1
388 1 37 TYR HB2 1 77 GLU HA . . 4.760 2.956 2.158 3.928 . 0 0 "[ . 1 . 2]" 1
389 1 18 LEU HG 1 19 ILE HB . . 4.980 4.804 4.583 4.968 . 0 0 "[ . 1 . 2]" 1
390 1 19 ILE HB 1 100 LEU HB3 . . 4.300 3.860 3.731 4.180 . 0 0 "[ . 1 . 2]" 1
391 1 26 ASN HB3 1 28 ARG QG . . 4.540 3.414 2.275 4.299 . 0 0 "[ . 1 . 2]" 1
392 1 105 ASN H 1 105 ASN HB2 . . 3.740 2.979 2.222 3.733 . 0 0 "[ . 1 . 2]" 1
393 1 105 ASN HB3 1 106 ALA H . . 4.760 4.248 2.262 4.638 . 0 0 "[ . 1 . 2]" 1
394 1 105 ASN HB2 1 106 ALA H . . 4.760 4.348 2.780 4.652 . 0 0 "[ . 1 . 2]" 1
395 1 86 PHE HB2 1 87 ILE H . . 4.570 3.564 3.051 3.841 . 0 0 "[ . 1 . 2]" 1
396 1 83 VAL QG 1 86 PHE HB3 . . 5.500 3.471 3.197 4.170 . 0 0 "[ . 1 . 2]" 1
397 1 83 VAL QG 1 86 PHE HB2 . . 5.500 3.862 3.168 4.489 . 0 0 "[ . 1 . 2]" 1
398 1 86 PHE HB3 1 87 ILE H . . 4.570 2.424 2.044 3.542 . 0 0 "[ . 1 . 2]" 1
399 1 21 MET HB2 1 29 PHE QD . . 4.820 4.339 3.349 4.806 . 0 0 "[ . 1 . 2]" 1
400 1 21 MET HB2 1 53 PRO HB3 . . 4.840 4.399 3.883 4.777 . 0 0 "[ . 1 . 2]" 1
401 1 21 MET HB2 1 21 MET ME . . 4.280 3.654 3.303 4.016 . 0 0 "[ . 1 . 2]" 1
402 1 75 ILE HB 1 78 HIS QB . . 4.470 3.204 2.157 3.935 . 0 0 "[ . 1 . 2]" 1
403 1 52 THR HB 1 54 ALA H . . 4.670 2.439 2.271 2.733 . 0 0 "[ . 1 . 2]" 1
404 1 75 ILE HB 1 83 VAL QG . . 4.080 2.138 1.844 2.447 . 0 0 "[ . 1 . 2]" 1
405 1 48 VAL H 1 63 GLU HG2 . . 4.390 4.091 3.341 4.391 0.001 20 0 "[ . 1 . 2]" 1
406 1 63 GLU HA 1 63 GLU HG3 . . 4.220 2.743 2.215 3.705 . 0 0 "[ . 1 . 2]" 1
407 1 52 THR HB 1 53 PRO HD3 . . 3.880 3.457 3.415 3.488 . 0 0 "[ . 1 . 2]" 1
408 1 63 GLU H 1 63 GLU HG2 . . 4.130 3.555 2.319 4.034 . 0 0 "[ . 1 . 2]" 1
409 1 63 GLU HA 1 63 GLU HG2 . . 4.220 3.178 2.493 4.166 . 0 0 "[ . 1 . 2]" 1
410 1 48 VAL H 1 63 GLU HG3 . . 4.390 3.830 3.530 4.356 . 0 0 "[ . 1 . 2]" 1
411 1 63 GLU H 1 63 GLU HG3 . . 4.130 2.548 1.899 3.725 . 0 0 "[ . 1 . 2]" 1
412 1 97 GLU HG2 1 98 LEU H . . 4.700 3.905 1.909 4.695 . 0 0 "[ . 1 . 2]" 1
413 1 97 GLU H 1 97 GLU HG2 . . 4.930 3.749 2.256 4.881 . 0 0 "[ . 1 . 2]" 1
414 1 97 GLU H 1 97 GLU HG3 . . 4.930 3.895 2.734 4.780 . 0 0 "[ . 1 . 2]" 1
415 1 97 GLU HG3 1 98 LEU H . . 4.700 3.689 2.411 4.693 . 0 0 "[ . 1 . 2]" 1
416 1 83 VAL HA 1 86 PHE H . . 4.230 3.407 3.214 3.803 . 0 0 "[ . 1 . 2]" 1
417 1 83 VAL HA 1 86 PHE QD . . 4.230 3.867 2.007 4.181 . 0 0 "[ . 1 . 2]" 1
418 1 83 VAL HA 1 86 PHE HB2 . . 4.200 2.746 2.293 3.474 . 0 0 "[ . 1 . 2]" 1
419 1 83 VAL HA 1 86 PHE HB3 . . 4.200 2.940 2.607 4.191 . 0 0 "[ . 1 . 2]" 1
420 1 34 LYS HB2 1 35 GLY H . . 4.240 2.828 2.288 3.483 . 0 0 "[ . 1 . 2]" 1
421 1 77 GLU H 1 77 GLU HG2 . . 4.560 3.691 2.329 4.561 0.001 11 0 "[ . 1 . 2]" 1
422 1 77 GLU HA 1 77 GLU HG2 . . 4.170 3.127 2.286 3.907 . 0 0 "[ . 1 . 2]" 1
423 1 77 GLU H 1 77 GLU HG3 . . 4.560 3.801 2.562 4.561 0.001 14 0 "[ . 1 . 2]" 1
424 1 77 GLU HA 1 77 GLU HG3 . . 4.170 3.197 2.243 4.178 0.008 1 0 "[ . 1 . 2]" 1
425 1 84 VAL HA 1 87 ILE H . . 4.400 3.964 3.679 4.254 . 0 0 "[ . 1 . 2]" 1
426 1 84 VAL HA 1 84 VAL MG1 . . 3.270 2.432 2.365 2.490 . 0 0 "[ . 1 . 2]" 1
427 1 84 VAL HA 1 87 ILE MD . . 3.410 2.590 2.157 3.395 . 0 0 "[ . 1 . 2]" 1
428 1 84 VAL HA 1 84 VAL MG2 . . 3.290 2.308 2.121 2.436 . 0 0 "[ . 1 . 2]" 1
429 1 41 MET HB2 1 42 PRO HD3 . . 4.260 3.416 3.376 3.467 . 0 0 "[ . 1 . 2]" 1
430 1 41 MET HB2 1 42 PRO HD2 . . 3.780 2.012 1.995 2.057 . 0 0 "[ . 1 . 2]" 1
431 1 36 GLY H 1 41 MET HB3 . . 4.600 4.392 4.026 4.601 0.001 9 0 "[ . 1 . 2]" 1
432 1 41 MET HB3 1 42 PRO HD3 . . 4.640 4.507 4.438 4.548 . 0 0 "[ . 1 . 2]" 1
433 1 41 MET HB3 1 42 PRO HD2 . . 3.920 3.555 3.481 3.601 . 0 0 "[ . 1 . 2]" 1
434 1 41 MET HB3 1 41 MET ME . . 4.570 3.533 3.310 3.713 . 0 0 "[ . 1 . 2]" 1
435 1 53 PRO HA 1 56 LEU H . . 4.260 4.007 3.604 4.266 0.006 11 0 "[ . 1 . 2]" 1
436 1 52 THR HB 1 53 PRO HA . . 5.020 4.827 4.721 4.994 . 0 0 "[ . 1 . 2]" 1
437 1 53 PRO HA 1 56 LEU HG . . 4.860 4.626 4.218 4.830 . 0 0 "[ . 1 . 2]" 1
438 1 53 PRO HA 1 56 LEU QB . . 3.820 3.360 3.099 3.658 . 0 0 "[ . 1 . 2]" 1
439 1 65 ASP HB3 1 102 VAL HB . . 4.190 2.635 2.117 3.812 . 0 0 "[ . 1 . 2]" 1
440 1 25 GLU H 1 25 GLU QG . . 4.050 2.915 1.931 4.052 0.002 1 0 "[ . 1 . 2]" 1
441 1 87 ILE HA 1 87 ILE MG . . 3.280 2.392 2.270 2.458 . 0 0 "[ . 1 . 2]" 1
442 1 17 VAL HB 1 18 LEU H . . 4.900 4.063 3.842 4.340 . 0 0 "[ . 1 . 2]" 1
443 1 17 VAL HB 1 102 VAL MG2 . . 4.020 2.435 1.891 4.036 0.016 19 0 "[ . 1 . 2]" 1
444 1 17 VAL H 1 17 VAL HB . . 3.860 2.557 2.379 3.039 . 0 0 "[ . 1 . 2]" 1
445 1 71 ASN HA 1 99 MET HB3 . . 4.310 3.474 2.341 4.253 . 0 0 "[ . 1 . 2]" 1
446 1 19 ILE MD 1 59 PRO HB2 . . 4.450 3.353 2.471 3.604 . 0 0 "[ . 1 . 2]" 1
447 1 59 PRO HB3 1 60 ARG H . . 4.330 3.717 3.314 3.951 . 0 0 "[ . 1 . 2]" 1
448 1 19 ILE MD 1 59 PRO HB3 . . 4.450 4.349 3.867 4.461 0.011 11 0 "[ . 1 . 2]" 1
449 1 32 ASN H 1 47 ARG HB2 . . 5.500 5.436 5.311 5.501 0.001 9 0 "[ . 1 . 2]" 1
450 1 67 VAL HA 1 68 VAL HA . . 4.880 4.409 4.385 4.439 . 0 0 "[ . 1 . 2]" 1
451 1 68 VAL HA 1 68 VAL MG2 . . 3.290 2.350 2.269 2.428 . 0 0 "[ . 1 . 2]" 1
452 1 39 GLN H 1 39 GLN HG3 . . 4.160 3.837 3.186 4.160 . 0 0 "[ . 1 . 2]" 1
453 1 39 GLN HA 1 39 GLN HG3 . . 3.830 3.441 2.399 3.715 . 0 0 "[ . 1 . 2]" 1
454 1 68 VAL HB 1 69 LEU HG . . 4.830 3.274 2.757 3.712 . 0 0 "[ . 1 . 2]" 1
455 1 43 VAL H 1 66 GLN HG2 . . 4.970 4.343 3.802 4.939 . 0 0 "[ . 1 . 2]" 1
456 1 66 GLN H 1 66 GLN HG2 . . 5.290 4.381 4.275 4.491 . 0 0 "[ . 1 . 2]" 1
457 1 66 GLN HA 1 66 GLN HG2 . . 4.230 3.040 2.580 3.432 . 0 0 "[ . 1 . 2]" 1
458 1 43 VAL H 1 66 GLN HG3 . . 4.970 3.821 3.207 4.829 . 0 0 "[ . 1 . 2]" 1
459 1 66 GLN H 1 66 GLN HG3 . . 5.290 4.555 4.376 4.713 . 0 0 "[ . 1 . 2]" 1
460 1 44 ILE MD 1 66 GLN HG3 . . 4.420 2.480 1.933 3.172 . 0 0 "[ . 1 . 2]" 1
461 1 88 LYS HB3 1 89 ALA H . . 4.510 3.380 2.541 3.904 . 0 0 "[ . 1 . 2]" 1
462 1 88 LYS H 1 88 LYS HB2 . . 3.900 2.401 2.195 3.573 . 0 0 "[ . 1 . 2]" 1
463 1 45 VAL HA 1 46 SER H . . 3.370 2.165 2.143 2.222 . 0 0 "[ . 1 . 2]" 1
464 1 67 VAL HA 1 102 VAL H . . 5.480 4.853 4.525 5.089 . 0 0 "[ . 1 . 2]" 1
465 1 67 VAL HA 1 103 ARG H . . 5.500 4.434 3.909 5.006 . 0 0 "[ . 1 . 2]" 1
466 1 67 VAL HA 1 68 VAL H . . 3.310 2.154 2.141 2.175 . 0 0 "[ . 1 . 2]" 1
467 1 67 VAL HA 1 69 LEU H . . 4.490 3.945 3.649 4.268 . 0 0 "[ . 1 . 2]" 1
468 1 67 VAL HA 1 68 VAL HB . . 4.690 4.662 4.602 4.702 0.012 19 0 "[ . 1 . 2]" 1
469 1 21 MET HB2 1 53 PRO HB2 . . 4.840 2.904 2.214 3.380 . 0 0 "[ . 1 . 2]" 1
470 1 42 PRO HB3 1 43 VAL H . . 3.940 3.640 3.433 3.819 . 0 0 "[ . 1 . 2]" 1
471 1 42 PRO HB3 1 66 GLN HE22 . . 4.700 3.535 2.620 4.580 . 0 0 "[ . 1 . 2]" 1
472 1 18 LEU MD1 1 99 MET HG3 . . 4.250 3.729 1.788 4.247 . 0 0 "[ . 1 . 2]" 1
473 1 42 PRO HB3 1 66 GLN HE21 . . 4.700 3.399 2.030 4.580 . 0 0 "[ . 1 . 2]" 1
474 1 42 PRO HB2 1 44 ILE MG . . 5.500 5.467 5.159 5.513 0.013 19 0 "[ . 1 . 2]" 1
475 1 50 PRO HA 1 55 ASP HB2 . . 4.300 3.783 3.363 4.225 . 0 0 "[ . 1 . 2]" 1
476 1 50 PRO HA 1 51 GLY H . . 3.020 2.443 2.333 2.659 . 0 0 "[ . 1 . 2]" 1
477 1 50 PRO HA 1 51 GLY HA2 . . 4.830 4.550 4.491 4.633 . 0 0 "[ . 1 . 2]" 1
478 1 50 PRO HA 1 55 ASP HB3 . . 4.300 3.624 2.587 4.205 . 0 0 "[ . 1 . 2]" 1
479 1 21 MET HG2 1 29 PHE QD . . 4.500 3.762 2.922 4.481 . 0 0 "[ . 1 . 2]" 1
480 1 50 PRO HB2 1 51 GLY H . . 4.490 2.528 2.041 2.805 . 0 0 "[ . 1 . 2]" 1
481 1 21 MET H 1 21 MET HG3 . . 4.770 3.881 3.127 4.440 . 0 0 "[ . 1 . 2]" 1
482 1 31 PHE HB2 1 48 VAL HA . . 4.750 4.324 3.699 4.574 . 0 0 "[ . 1 . 2]" 1
483 1 21 MET H 1 21 MET HG2 . . 4.770 2.927 2.486 3.239 . 0 0 "[ . 1 . 2]" 1
484 1 21 MET HG3 1 29 PHE QD . . 4.500 2.891 2.357 3.620 . 0 0 "[ . 1 . 2]" 1
485 1 73 ARG QB 1 86 PHE QE . . 5.150 2.960 2.103 4.614 . 0 0 "[ . 1 . 2]" 1
486 1 73 ARG QB 1 86 PHE HZ . . 5.450 2.993 2.139 4.746 . 0 0 "[ . 1 . 2]" 1
487 1 73 ARG QB 1 74 ASP H . . 4.490 3.099 2.523 3.766 . 0 0 "[ . 1 . 2]" 1
488 1 32 ASN H 1 48 VAL HA . . 4.720 3.584 3.157 3.940 . 0 0 "[ . 1 . 2]" 1
489 1 47 ARG HA 1 48 VAL HA . . 4.960 4.452 4.414 4.491 . 0 0 "[ . 1 . 2]" 1
490 1 48 VAL HA 1 49 ALA HA . . 5.300 4.401 4.371 4.450 . 0 0 "[ . 1 . 2]" 1
491 1 31 PHE HB3 1 48 VAL HA . . 4.750 4.420 4.006 4.629 . 0 0 "[ . 1 . 2]" 1
492 1 36 GLY H 1 41 MET HG2 . . 4.720 2.414 1.942 2.836 . 0 0 "[ . 1 . 2]" 1
493 1 41 MET H 1 41 MET HG2 . . 4.380 2.654 2.387 2.818 . 0 0 "[ . 1 . 2]" 1
494 1 35 GLY HA3 1 41 MET HG2 . . 3.980 3.053 2.713 3.500 . 0 0 "[ . 1 . 2]" 1
495 1 35 GLY HA2 1 41 MET HG2 . . 3.910 2.478 2.099 2.915 . 0 0 "[ . 1 . 2]" 1
496 1 39 GLN HB2 1 41 MET HG2 . . 4.470 2.285 2.034 2.577 . 0 0 "[ . 1 . 2]" 1
497 1 39 GLN HB3 1 41 MET HG2 . . 4.470 2.678 2.363 2.933 . 0 0 "[ . 1 . 2]" 1
498 1 36 GLY H 1 41 MET HG3 . . 4.740 2.231 1.910 2.651 . 0 0 "[ . 1 . 2]" 1
499 1 41 MET H 1 41 MET HG3 . . 4.230 3.327 3.065 3.513 . 0 0 "[ . 1 . 2]" 1
500 1 35 GLY HA3 1 41 MET HG3 . . 3.940 2.126 2.025 2.382 . 0 0 "[ . 1 . 2]" 1
501 1 41 MET HG3 1 42 PRO HD3 . . 4.790 4.641 4.459 4.785 . 0 0 "[ . 1 . 2]" 1
502 1 35 GLY HA2 1 41 MET HG3 . . 4.330 2.695 2.298 3.213 . 0 0 "[ . 1 . 2]" 1
503 1 39 GLN HB2 1 41 MET HG3 . . 4.590 3.909 3.636 4.306 . 0 0 "[ . 1 . 2]" 1
504 1 39 GLN HB3 1 41 MET HG3 . . 4.590 4.394 4.120 4.582 . 0 0 "[ . 1 . 2]" 1
505 1 60 ARG HB2 1 61 LEU H . . 4.410 4.056 2.551 4.303 . 0 0 "[ . 1 . 2]" 1
506 1 23 PRO HB2 1 24 ASP H . . 4.270 3.352 2.781 4.166 . 0 0 "[ . 1 . 2]" 1
507 1 23 PRO HB3 1 24 ASP H . . 4.480 3.893 3.541 4.473 . 0 0 "[ . 1 . 2]" 1
508 1 42 PRO HA 1 43 VAL H . . 3.070 2.281 2.197 2.417 . 0 0 "[ . 1 . 2]" 1
509 1 41 MET HB2 1 42 PRO HA . . 5.490 5.159 5.083 5.217 . 0 0 "[ . 1 . 2]" 1
510 1 42 PRO HA 1 43 VAL HB . . 5.500 4.782 4.620 4.858 . 0 0 "[ . 1 . 2]" 1
511 1 37 TYR HA 1 41 MET H . . 4.750 3.837 3.314 4.194 . 0 0 "[ . 1 . 2]" 1
512 1 37 TYR HA 1 39 GLN H . . 4.790 4.146 3.606 4.389 . 0 0 "[ . 1 . 2]" 1
513 1 37 TYR HA 1 37 TYR QD . . 3.520 2.903 2.149 3.302 . 0 0 "[ . 1 . 2]" 1
514 1 37 TYR HA 1 40 LYS HA . . 4.130 3.120 2.835 3.601 . 0 0 "[ . 1 . 2]" 1
515 1 23 PRO HA 1 53 PRO HG3 . . 4.760 3.917 3.072 4.383 . 0 0 "[ . 1 . 2]" 1
516 1 23 PRO HA 1 24 ASP H . . 3.370 2.213 2.149 2.336 . 0 0 "[ . 1 . 2]" 1
517 1 23 PRO HA 1 29 PHE QE . . 4.450 3.496 2.826 4.211 . 0 0 "[ . 1 . 2]" 1
518 1 23 PRO HA 1 29 PHE QD . . 4.130 3.905 3.426 4.099 . 0 0 "[ . 1 . 2]" 1
519 1 23 PRO HA 1 29 PHE HA . . 4.610 4.298 3.659 4.606 . 0 0 "[ . 1 . 2]" 1
520 1 23 PRO HA 1 53 PRO HG2 . . 4.760 4.415 4.048 4.654 . 0 0 "[ . 1 . 2]" 1
521 1 80 HIS HA 1 83 VAL H . . 4.600 3.833 3.458 4.181 . 0 0 "[ . 1 . 2]" 1
522 1 80 HIS HA 1 83 VAL HB . . 3.940 2.822 2.394 3.040 . 0 0 "[ . 1 . 2]" 1
523 1 80 HIS HA 1 83 VAL QG . . 3.000 3.064 2.896 3.396 0.396 13 0 "[ . 1 . 2]" 1
524 1 38 ASP H 1 79 THR HA . . 3.610 2.766 2.181 3.505 . 0 0 "[ . 1 . 2]" 1
525 1 78 HIS QB 1 79 THR HA . . 5.500 4.403 4.127 4.745 . 0 0 "[ . 1 . 2]" 1
526 1 43 VAL HB 1 67 VAL MG1 . . 4.730 3.827 3.231 4.363 . 0 0 "[ . 1 . 2]" 1
527 1 79 THR HA 1 81 ASP H . . 4.790 4.707 4.402 4.790 0.000 9 0 "[ . 1 . 2]" 1
528 1 89 ALA MB 1 90 SER HA . . 4.740 3.741 3.588 3.909 . 0 0 "[ . 1 . 2]" 1
529 1 112 GLU HB2 1 113 GLU H . . 5.360 3.879 2.375 4.553 . 0 0 "[ . 1 . 2]" 1
530 1 112 GLU HB3 1 113 GLU H . . 5.360 3.795 2.530 4.376 . 0 0 "[ . 1 . 2]" 1
531 1 17 VAL HA 1 18 LEU H . . 3.060 2.206 2.141 2.328 . 0 0 "[ . 1 . 2]" 1
532 1 16 LEU HA 1 17 VAL HA . . 5.010 4.352 4.328 4.373 . 0 0 "[ . 1 . 2]" 1
533 1 17 VAL HA 1 18 LEU HA . . 5.390 4.399 4.381 4.425 . 0 0 "[ . 1 . 2]" 1
534 1 17 VAL HA 1 18 LEU HB3 . . 4.720 4.419 4.255 4.662 . 0 0 "[ . 1 . 2]" 1
535 1 90 SER HA 1 93 ARG QD . . 4.350 3.464 2.035 4.345 . 0 0 "[ . 1 . 2]" 1
536 1 70 ILE HA 1 70 ILE HG12 . . 4.200 2.585 2.336 2.953 . 0 0 "[ . 1 . 2]" 1
537 1 70 ILE HA 1 70 ILE HG13 . . 4.200 2.934 2.704 3.816 . 0 0 "[ . 1 . 2]" 1
538 1 88 LYS HA 1 88 LYS QD . . 4.650 3.763 2.447 4.369 . 0 0 "[ . 1 . 2]" 1
539 1 85 LEU HA 1 88 LYS QD . . 4.650 3.094 2.078 4.540 . 0 0 "[ . 1 . 2]" 1
540 1 88 LYS HB2 1 88 LYS QD . . 3.860 2.494 2.128 3.226 . 0 0 "[ . 1 . 2]" 1
541 1 88 LYS HB3 1 88 LYS QD . . 3.860 2.593 2.116 3.416 . 0 0 "[ . 1 . 2]" 1
542 1 84 VAL MG1 1 88 LYS QD . . 4.810 3.303 1.753 4.583 . 0 0 "[ . 1 . 2]" 1
543 1 40 LYS HA 1 40 LYS HD3 . . 4.570 3.601 2.011 4.498 . 0 0 "[ . 1 . 2]" 1
544 1 79 THR H 1 82 GLN HB3 . . 4.750 3.620 2.365 4.739 . 0 0 "[ . 1 . 2]" 1
545 1 58 VAL HA 1 59 PRO HB2 . . 4.730 4.258 4.245 4.279 . 0 0 "[ . 1 . 2]" 1
546 1 58 VAL HA 1 59 PRO HB3 . . 4.730 4.229 4.166 4.298 . 0 0 "[ . 1 . 2]" 1
547 1 58 VAL HA 1 59 PRO QG . . 5.170 4.480 4.474 4.491 . 0 0 "[ . 1 . 2]" 1
548 1 58 VAL HA 1 58 VAL MG1 . . 3.490 2.659 2.280 3.200 . 0 0 "[ . 1 . 2]" 1
549 1 58 VAL HA 1 58 VAL MG2 . . 3.490 2.373 2.181 2.504 . 0 0 "[ . 1 . 2]" 1
550 1 78 HIS QB 1 82 GLN HB2 . . 4.460 2.704 1.995 3.911 . 0 0 "[ . 1 . 2]" 1
551 1 63 GLU HB2 1 64 GLY H . . 4.820 3.920 2.809 4.227 . 0 0 "[ . 1 . 2]" 1
552 1 63 GLU HB3 1 64 GLY H . . 4.820 2.961 2.565 3.741 . 0 0 "[ . 1 . 2]" 1
553 1 78 HIS QB 1 82 GLN HB3 . . 4.460 2.520 1.976 4.432 . 0 0 "[ . 1 . 2]" 1
554 1 57 CYS HA 1 58 VAL HA . . 4.860 4.443 4.370 4.514 . 0 0 "[ . 1 . 2]" 1
555 1 57 CYS HB3 1 58 VAL H . . 4.070 3.875 3.676 4.062 . 0 0 "[ . 1 . 2]" 1
556 1 19 ILE HA 1 59 PRO QD . . 4.460 2.660 2.146 3.030 . 0 0 "[ . 1 . 2]" 1
557 1 19 ILE HA 1 19 ILE QG . . 3.900 2.823 2.598 2.964 . 0 0 "[ . 1 . 2]" 1
558 1 87 ILE MG 1 88 LYS HA . . 4.190 3.541 3.238 3.852 . 0 0 "[ . 1 . 2]" 1
559 1 29 PHE QE 1 88 LYS HA . . 4.830 3.808 2.888 4.815 . 0 0 "[ . 1 . 2]" 1
560 1 88 LYS HA 1 88 LYS HG2 . . 3.950 2.727 2.215 3.870 . 0 0 "[ . 1 . 2]" 1
561 1 88 LYS HA 1 88 LYS HG3 . . 3.950 2.863 2.181 3.825 . 0 0 "[ . 1 . 2]" 1
562 1 16 LEU MD1 1 103 ARG HG2 . . 5.500 4.020 1.915 5.425 . 0 0 "[ . 1 . 2]" 1
563 1 16 LEU MD1 1 103 ARG HG3 . . 5.500 3.473 1.967 5.352 . 0 0 "[ . 1 . 2]" 1
564 1 16 LEU MD2 1 103 ARG HG3 . . 5.500 3.287 1.787 5.009 . 0 0 "[ . 1 . 2]" 1
565 1 25 GLU HA 1 25 GLU QG . . 3.740 2.609 2.173 3.338 . 0 0 "[ . 1 . 2]" 1
566 1 25 GLU HA 1 27 GLY H . . 4.600 4.021 3.494 4.455 . 0 0 "[ . 1 . 2]" 1
567 1 49 ALA HA 1 50 PRO HG2 . . 4.800 4.443 4.388 4.497 . 0 0 "[ . 1 . 2]" 1
568 1 49 ALA HA 1 50 PRO HG3 . . 4.800 4.423 4.388 4.460 . 0 0 "[ . 1 . 2]" 1
569 1 26 ASN HB2 1 28 ARG QG . . 4.540 3.209 2.319 4.471 . 0 0 "[ . 1 . 2]" 1
570 1 18 LEU H 1 18 LEU HG . . 4.720 4.330 4.160 4.495 . 0 0 "[ . 1 . 2]" 1
571 1 11 ILE HA 1 12 PRO HD2 . . 3.100 2.217 1.981 2.353 . 0 0 "[ . 1 . 2]" 1
572 1 11 ILE HA 1 12 PRO HD3 . . 3.100 2.267 2.252 2.319 . 0 0 "[ . 1 . 2]" 1
573 1 82 GLN HA 1 85 LEU H . . 4.330 3.622 3.373 4.110 . 0 0 "[ . 1 . 2]" 1
574 1 82 GLN HA 1 82 GLN QG . . 3.600 2.512 2.159 3.139 . 0 0 "[ . 1 . 2]" 1
575 1 82 GLN HA 1 85 LEU HB2 . . 4.460 2.821 2.461 3.128 . 0 0 "[ . 1 . 2]" 1
576 1 18 LEU HG 1 19 ILE H . . 4.710 2.739 2.301 3.113 . 0 0 "[ . 1 . 2]" 1
577 1 19 ILE QG 1 59 PRO QD . . 4.650 4.347 3.940 4.652 0.002 11 0 "[ . 1 . 2]" 1
578 1 19 ILE QG 1 59 PRO QG . . 4.160 3.559 2.943 3.910 . 0 0 "[ . 1 . 2]" 1
579 1 60 ARG H 1 60 ARG HG2 . . 4.670 4.266 2.638 4.547 . 0 0 "[ . 1 . 2]" 1
580 1 47 ARG HG2 1 48 VAL H . . 4.320 3.399 2.226 3.863 . 0 0 "[ . 1 . 2]" 1
581 1 47 ARG HG3 1 48 VAL H . . 4.320 2.215 1.900 4.140 . 0 0 "[ . 1 . 2]" 1
582 1 47 ARG HA 1 47 ARG HG3 . . 4.030 2.764 2.265 3.488 . 0 0 "[ . 1 . 2]" 1
583 1 19 ILE H 1 19 ILE QG . . 4.050 2.510 2.232 2.767 . 0 0 "[ . 1 . 2]" 1
584 1 55 ASP HA 1 60 ARG HG2 . . 4.820 3.311 2.305 4.793 . 0 0 "[ . 1 . 2]" 1
585 1 44 ILE MG 1 63 GLU HA . . 4.570 4.092 3.758 4.507 . 0 0 "[ . 1 . 2]" 1
586 1 45 VAL MG2 1 63 GLU HA . . 4.810 3.650 3.270 4.442 . 0 0 "[ . 1 . 2]" 1
587 1 63 GLU HA 1 64 GLY H . . 3.220 2.241 2.150 2.350 . 0 0 "[ . 1 . 2]" 1
588 1 63 GLU HA 1 65 ASP H . . 4.350 3.605 3.207 3.897 . 0 0 "[ . 1 . 2]" 1
589 1 63 GLU HA 1 64 GLY HA3 . . 4.620 4.430 4.392 4.506 . 0 0 "[ . 1 . 2]" 1
590 1 45 VAL HB 1 63 GLU HA . . 4.040 2.224 1.998 2.997 . 0 0 "[ . 1 . 2]" 1
591 1 20 ARG H 1 20 ARG HG3 . . 4.790 3.437 2.694 4.434 . 0 0 "[ . 1 . 2]" 1
592 1 84 VAL HB 1 85 LEU HA . . 4.880 4.335 4.225 4.496 . 0 0 "[ . 1 . 2]" 1
593 1 85 LEU HA 1 89 ALA H . . 5.290 4.085 3.260 4.604 . 0 0 "[ . 1 . 2]" 1
594 1 85 LEU HA 1 88 LYS H . . 4.290 3.478 3.172 4.146 . 0 0 "[ . 1 . 2]" 1
595 1 85 LEU HA 1 85 LEU HG . . 4.110 2.739 2.271 3.690 . 0 0 "[ . 1 . 2]" 1
596 1 42 PRO HG3 1 44 ILE MD . . 4.590 3.131 2.797 3.498 . 0 0 "[ . 1 . 2]" 1
597 1 85 LEU H 1 85 LEU HG . . 4.060 3.610 2.611 4.032 . 0 0 "[ . 1 . 2]" 1
598 1 16 LEU H 1 16 LEU HG . . 4.080 3.521 2.387 4.081 0.001 12 0 "[ . 1 . 2]" 1
599 1 100 LEU H 1 100 LEU MD1 . . 4.440 3.723 3.413 4.017 . 0 0 "[ . 1 . 2]" 1
600 1 31 PHE QE 1 100 LEU MD1 . . 3.800 3.153 2.688 3.785 . 0 0 "[ . 1 . 2]" 1
601 1 100 LEU HB2 1 100 LEU MD1 . . 3.560 2.113 1.989 2.287 . 0 0 "[ . 1 . 2]" 1
602 1 61 LEU MD2 1 100 LEU MD1 . . 3.650 2.740 1.940 3.093 . 0 0 "[ . 1 . 2]" 1
603 1 61 LEU MD1 1 100 LEU MD1 . . 3.650 2.909 2.155 3.362 . 0 0 "[ . 1 . 2]" 1
604 1 55 ASP HB3 1 56 LEU HG . . 4.650 3.023 2.855 3.158 . 0 0 "[ . 1 . 2]" 1
605 1 100 LEU HA 1 100 LEU MD1 . . 4.590 3.974 3.943 4.022 . 0 0 "[ . 1 . 2]" 1
606 1 100 LEU HB3 1 100 LEU MD1 . . 3.540 2.588 2.418 2.669 . 0 0 "[ . 1 . 2]" 1
607 1 69 LEU MD1 1 72 GLY HA3 . . 4.950 4.743 4.447 4.944 . 0 0 "[ . 1 . 2]" 1
608 1 69 LEU HB3 1 69 LEU MD1 . . 3.640 2.444 2.331 2.596 . 0 0 "[ . 1 . 2]" 1
609 1 81 ASP HA 1 84 VAL H . . 4.290 3.990 3.436 4.282 . 0 0 "[ . 1 . 2]" 1
610 1 81 ASP HA 1 85 LEU H . . 4.740 4.458 3.936 4.754 0.014 9 0 "[ . 1 . 2]" 1
611 1 80 HIS HD2 1 81 ASP HA . . 4.600 2.828 2.071 4.599 . 0 0 "[ . 1 . 2]" 1
612 1 81 ASP HA 1 84 VAL HB . . 3.760 3.153 2.709 3.549 . 0 0 "[ . 1 . 2]" 1
613 1 16 LEU H 1 16 LEU MD1 . . 4.610 3.701 2.174 4.150 . 0 0 "[ . 1 . 2]" 1
614 1 101 LEU HA 1 101 LEU MD2 . . 4.460 3.854 3.766 3.910 . 0 0 "[ . 1 . 2]" 1
615 1 92 GLU HA 1 92 GLU HG2 . . 4.160 2.978 2.245 3.920 . 0 0 "[ . 1 . 2]" 1
616 1 92 GLU HA 1 92 GLU HG3 . . 4.160 3.017 2.243 3.684 . 0 0 "[ . 1 . 2]" 1
617 1 31 PHE QD 1 61 LEU MD1 . . 5.010 4.697 4.284 5.001 . 0 0 "[ . 1 . 2]" 1
618 1 45 VAL MG1 1 61 LEU MD1 . . 4.330 4.139 3.857 4.299 . 0 0 "[ . 1 . 2]" 1
619 1 45 VAL MG2 1 61 LEU MD1 . . 3.480 2.572 2.225 2.872 . 0 0 "[ . 1 . 2]" 1
620 1 57 CYS HA 1 58 VAL HB . . 4.700 4.522 4.386 4.697 . 0 0 "[ . 1 . 2]" 1
621 1 60 ARG HA 1 61 LEU H . . 3.280 2.180 2.140 2.463 . 0 0 "[ . 1 . 2]" 1
622 1 19 ILE HA 1 59 PRO QG . . 4.600 3.251 2.136 3.808 . 0 0 "[ . 1 . 2]" 1
623 1 22 LYS H 1 22 LYS HG2 . . 4.700 2.883 1.992 4.145 . 0 0 "[ . 1 . 2]" 1
624 1 59 PRO QG 1 60 ARG H . . 4.620 4.416 3.957 4.631 0.011 9 0 "[ . 1 . 2]" 1
625 1 18 LEU HA 1 18 LEU MD2 . . 4.410 3.976 3.904 4.025 . 0 0 "[ . 1 . 2]" 1
626 1 18 LEU H 1 18 LEU MD2 . . 4.350 4.214 4.135 4.278 . 0 0 "[ . 1 . 2]" 1
627 1 18 LEU MD2 1 20 ARG HD3 . . 4.260 2.840 2.169 4.032 . 0 0 "[ . 1 . 2]" 1
628 1 18 LEU MD2 1 99 MET ME . . 3.900 2.098 1.829 2.682 . 0 0 "[ . 1 . 2]" 1
629 1 93 ARG HA 1 93 ARG QD . . 4.680 3.596 2.009 4.394 . 0 0 "[ . 1 . 2]" 1
630 1 40 LYS HA 1 40 LYS HD2 . . 4.570 3.504 2.014 4.554 . 0 0 "[ . 1 . 2]" 1
631 1 39 GLN H 1 40 LYS HA . . 4.750 4.520 4.268 4.686 . 0 0 "[ . 1 . 2]" 1
632 1 56 LEU HA 1 56 LEU MD1 . . 4.220 3.953 3.920 3.977 . 0 0 "[ . 1 . 2]" 1
633 1 53 PRO HA 1 56 LEU MD1 . . 4.410 3.243 2.506 3.699 . 0 0 "[ . 1 . 2]" 1
634 1 51 GLY HA3 1 56 LEU MD1 . . 4.330 4.107 3.692 4.318 . 0 0 "[ . 1 . 2]" 1
635 1 56 LEU QB 1 56 LEU MD1 . . 3.090 2.046 1.947 2.099 . 0 0 "[ . 1 . 2]" 1
636 1 71 ASN H 1 100 LEU MD2 . . 4.530 3.577 2.866 4.152 . 0 0 "[ . 1 . 2]" 1
637 1 100 LEU MD2 1 101 LEU H . . 4.370 3.984 3.672 4.325 . 0 0 "[ . 1 . 2]" 1
638 1 31 PHE QE 1 100 LEU MD2 . . 4.680 3.779 3.103 4.296 . 0 0 "[ . 1 . 2]" 1
639 1 31 PHE HZ 1 100 LEU MD2 . . 4.860 3.217 2.717 3.718 . 0 0 "[ . 1 . 2]" 1
640 1 70 ILE HA 1 100 LEU MD2 . . 3.750 2.888 2.204 3.450 . 0 0 "[ . 1 . 2]" 1
641 1 100 LEU HB3 1 100 LEU MD2 . . 3.660 2.186 2.107 2.307 . 0 0 "[ . 1 . 2]" 1
642 1 85 LEU H 1 85 LEU MD1 . . 4.310 2.962 1.888 4.025 . 0 0 "[ . 1 . 2]" 1
643 1 85 LEU HA 1 85 LEU MD1 . . 4.090 2.926 2.036 3.868 . 0 0 "[ . 1 . 2]" 1
644 1 84 VAL HB 1 85 LEU MD1 . . 5.500 3.720 2.542 5.049 . 0 0 "[ . 1 . 2]" 1
645 1 40 LYS H 1 40 LYS HG3 . . 4.340 3.460 2.811 4.322 . 0 0 "[ . 1 . 2]" 1
646 1 61 LEU H 1 61 LEU MD2 . . 5.500 4.253 4.203 4.342 . 0 0 "[ . 1 . 2]" 1
647 1 54 ALA MB 1 61 LEU MD2 . . 4.610 2.380 2.050 2.819 . 0 0 "[ . 1 . 2]" 1
648 1 34 LYS QG 1 44 ILE H . . 4.830 3.062 2.872 3.226 . 0 0 "[ . 1 . 2]" 1
649 1 34 LYS QG 1 43 VAL MG1 . . 5.010 4.456 4.243 4.610 . 0 0 "[ . 1 . 2]" 1
650 1 83 VAL H 1 83 VAL QG . . 3.400 2.103 1.908 2.441 . 0 0 "[ . 1 . 2]" 1
651 1 83 VAL QG 1 84 VAL H . . 3.610 2.909 2.398 3.200 . 0 0 "[ . 1 . 2]" 1
652 1 78 HIS H 1 83 VAL QG . . 4.520 3.956 3.528 4.275 . 0 0 "[ . 1 . 2]" 1
653 1 82 GLN H 1 83 VAL QG . . 4.780 4.318 3.977 4.580 . 0 0 "[ . 1 . 2]" 1
654 1 83 VAL QG 1 86 PHE QD . . 5.010 3.938 2.750 4.455 . 0 0 "[ . 1 . 2]" 1
655 1 78 HIS QB 1 83 VAL QG . . 3.390 2.323 1.843 2.897 . 0 0 "[ . 1 . 2]" 1
656 1 75 ILE MG 1 83 VAL QG . . 3.620 2.983 2.388 3.388 . 0 0 "[ . 1 . 2]" 1
657 1 37 TYR HB3 1 77 GLU HA . . 4.760 4.216 3.302 4.758 . 0 0 "[ . 1 . 2]" 1
658 1 76 ALA HA 1 77 GLU HA . . 4.900 4.688 4.552 4.802 . 0 0 "[ . 1 . 2]" 1
659 1 28 ARG HA 1 28 ARG QG . . 3.550 2.939 2.286 3.438 . 0 0 "[ . 1 . 2]" 1
660 1 55 ASP H 1 56 LEU HA . . 5.310 4.933 4.681 5.089 . 0 0 "[ . 1 . 2]" 1
661 1 39 GLN HA 1 39 GLN HG2 . . 3.830 2.555 2.160 3.601 . 0 0 "[ . 1 . 2]" 1
662 1 37 TYR QD 1 38 ASP HA . . 4.800 3.377 2.530 4.662 . 0 0 "[ . 1 . 2]" 1
663 1 70 ILE MG 1 98 LEU MD2 . . 4.550 3.595 2.272 4.332 . 0 0 "[ . 1 . 2]" 1
664 1 101 LEU MD1 1 102 VAL H . . 3.790 3.378 3.095 3.612 . 0 0 "[ . 1 . 2]" 1
665 1 101 LEU H 1 101 LEU MD1 . . 4.550 4.061 3.878 4.213 . 0 0 "[ . 1 . 2]" 1
666 1 101 LEU HA 1 101 LEU MD1 . . 3.210 2.114 1.986 2.435 . 0 0 "[ . 1 . 2]" 1
667 1 17 VAL HA 1 101 LEU MD1 . . 4.950 4.673 4.215 4.907 . 0 0 "[ . 1 . 2]" 1
668 1 17 VAL H 1 101 LEU MD1 . . 4.620 4.099 3.657 4.430 . 0 0 "[ . 1 . 2]" 1
669 1 18 LEU H 1 101 LEU MD1 . . 4.700 4.451 3.908 4.692 . 0 0 "[ . 1 . 2]" 1
670 1 73 ARG HA 1 74 ASP H . . 3.180 2.230 2.140 2.357 . 0 0 "[ . 1 . 2]" 1
671 1 71 ASN HA 1 99 MET HB2 . . 4.310 2.964 2.419 4.254 . 0 0 "[ . 1 . 2]" 1
672 1 18 LEU MD1 1 19 ILE H . . 3.540 2.659 2.238 3.067 . 0 0 "[ . 1 . 2]" 1
673 1 18 LEU MD1 1 99 MET HG2 . . 4.250 2.643 1.844 3.004 . 0 0 "[ . 1 . 2]" 1
674 1 16 LEU HA 1 16 LEU MD2 . . 3.910 2.428 1.985 3.689 . 0 0 "[ . 1 . 2]" 1
675 1 16 LEU MD2 1 103 ARG HG2 . . 5.500 3.785 1.990 5.328 . 0 0 "[ . 1 . 2]" 1
676 1 16 LEU MD2 1 103 ARG HA . . 4.840 3.179 1.984 4.505 . 0 0 "[ . 1 . 2]" 1
677 1 85 LEU H 1 85 LEU MD2 . . 4.310 3.646 2.134 4.153 . 0 0 "[ . 1 . 2]" 1
678 1 85 LEU HA 1 85 LEU MD2 . . 4.090 3.021 2.119 3.802 . 0 0 "[ . 1 . 2]" 1
679 1 84 VAL HB 1 85 LEU MD2 . . 5.500 4.621 2.483 5.369 . 0 0 "[ . 1 . 2]" 1
680 1 16 LEU H 1 16 LEU MD2 . . 4.610 3.087 1.906 4.340 . 0 0 "[ . 1 . 2]" 1
681 1 54 ALA HA 1 57 CYS HG . . 4.750 3.633 2.511 4.657 . 0 0 "[ . 1 . 2]" 1
682 1 61 LEU HA 1 61 LEU HG . . 4.220 2.919 2.733 3.087 . 0 0 "[ . 1 . 2]" 1
683 1 61 LEU HA 1 61 LEU MD2 . . 4.430 3.886 3.825 3.935 . 0 0 "[ . 1 . 2]" 1
684 1 61 LEU HA 1 61 LEU MD1 . . 4.430 2.156 2.007 2.455 . 0 0 "[ . 1 . 2]" 1
685 1 69 LEU MD2 1 74 ASP H . . 4.000 3.529 3.047 3.890 . 0 0 "[ . 1 . 2]" 1
686 1 69 LEU MD2 1 70 ILE H . . 4.040 3.455 3.207 3.817 . 0 0 "[ . 1 . 2]" 1
687 1 69 LEU H 1 69 LEU MD2 . . 4.700 4.075 3.863 4.275 . 0 0 "[ . 1 . 2]" 1
688 1 69 LEU MD2 1 75 ILE H . . 3.830 2.742 2.062 3.315 . 0 0 "[ . 1 . 2]" 1
689 1 69 LEU HA 1 69 LEU MD2 . . 3.360 2.153 1.976 2.337 . 0 0 "[ . 1 . 2]" 1
690 1 69 LEU MD2 1 74 ASP HA . . 3.100 1.997 1.825 2.277 . 0 0 "[ . 1 . 2]" 1
691 1 69 LEU MD2 1 73 ARG HA . . 4.690 3.984 3.572 4.539 . 0 0 "[ . 1 . 2]" 1
692 1 69 LEU MD2 1 74 ASP HB3 . . 4.220 3.373 1.890 4.224 0.004 7 0 "[ . 1 . 2]" 1
693 1 67 VAL MG1 1 101 LEU H . . 4.810 3.476 2.685 3.860 . 0 0 "[ . 1 . 2]" 1
694 1 67 VAL MG1 1 102 VAL HA . . 4.730 4.253 3.787 4.723 . 0 0 "[ . 1 . 2]" 1
695 1 67 VAL MG1 1 68 VAL H . . 3.670 2.754 2.199 3.152 . 0 0 "[ . 1 . 2]" 1
696 1 67 VAL HA 1 67 VAL MG1 . . 3.530 2.322 2.179 2.409 . 0 0 "[ . 1 . 2]" 1
697 1 67 VAL MG1 1 75 ILE HG12 . . 4.630 3.075 2.515 3.714 . 0 0 "[ . 1 . 2]" 1
698 1 67 VAL MG1 1 75 ILE HG13 . . 4.630 3.928 3.571 4.505 . 0 0 "[ . 1 . 2]" 1
699 1 67 VAL MG1 1 100 LEU HB3 . . 4.770 2.888 2.298 3.540 . 0 0 "[ . 1 . 2]" 1
700 1 67 VAL MG1 1 100 LEU MD1 . . 4.280 4.001 3.530 4.222 . 0 0 "[ . 1 . 2]" 1
701 1 104 PRO HB2 1 105 ASN HA . . 4.740 4.437 4.248 4.672 . 0 0 "[ . 1 . 2]" 1
702 1 79 THR MG 1 80 HIS H . . 4.190 3.651 3.227 4.003 . 0 0 "[ . 1 . 2]" 1
703 1 79 THR H 1 79 THR MG . . 3.430 2.518 2.030 2.966 . 0 0 "[ . 1 . 2]" 1
704 1 37 TYR H 1 79 THR MG . . 4.700 4.083 3.268 4.675 . 0 0 "[ . 1 . 2]" 1
705 1 79 THR HA 1 79 THR MG . . 3.420 2.290 2.182 2.451 . 0 0 "[ . 1 . 2]" 1
706 1 38 ASP HA 1 79 THR MG . . 4.270 3.386 2.741 4.182 . 0 0 "[ . 1 . 2]" 1
707 1 37 TYR HB2 1 79 THR MG . . 4.670 4.209 3.389 4.627 . 0 0 "[ . 1 . 2]" 1
708 1 38 ASP HB2 1 79 THR MG . . 3.990 2.617 1.981 3.677 . 0 0 "[ . 1 . 2]" 1
709 1 38 ASP HB3 1 79 THR MG . . 3.990 3.687 2.839 3.990 0.000 9 0 "[ . 1 . 2]" 1
710 1 37 TYR HB3 1 79 THR MG . . 4.670 2.760 2.028 3.163 . 0 0 "[ . 1 . 2]" 1
711 1 38 ASP H 1 79 THR MG . . 3.990 2.953 2.177 3.515 . 0 0 "[ . 1 . 2]" 1
712 1 37 TYR QD 1 79 THR MG . . 4.090 2.860 1.985 3.981 . 0 0 "[ . 1 . 2]" 1
713 1 45 VAL MG1 1 63 GLU HG2 . . 4.540 3.377 2.590 4.543 0.003 16 0 "[ . 1 . 2]" 1
714 1 56 LEU MD2 1 57 CYS H . . 5.040 4.862 4.731 4.957 . 0 0 "[ . 1 . 2]" 1
715 1 45 VAL H 1 45 VAL MG1 . . 4.380 3.760 3.723 3.767 . 0 0 "[ . 1 . 2]" 1
716 1 45 VAL MG1 1 46 SER H . . 3.890 2.484 1.902 3.046 . 0 0 "[ . 1 . 2]" 1
717 1 45 VAL MG1 1 64 GLY H . . 4.010 3.664 3.124 3.941 . 0 0 "[ . 1 . 2]" 1
718 1 32 ASN H 1 45 VAL MG1 . . 4.120 3.060 2.918 3.211 . 0 0 "[ . 1 . 2]" 1
719 1 31 PHE QD 1 45 VAL MG1 . . 3.810 3.504 2.903 3.769 . 0 0 "[ . 1 . 2]" 1
720 1 45 VAL HA 1 45 VAL MG1 . . 3.600 2.417 2.334 2.532 . 0 0 "[ . 1 . 2]" 1
721 1 45 VAL MG1 1 63 GLU HA . . 3.500 2.261 1.896 2.600 . 0 0 "[ . 1 . 2]" 1
722 1 31 PHE HB2 1 45 VAL MG1 . . 4.400 2.814 2.544 3.047 . 0 0 "[ . 1 . 2]" 1
723 1 31 PHE HB3 1 45 VAL MG1 . . 4.400 4.192 3.880 4.368 . 0 0 "[ . 1 . 2]" 1
724 1 45 VAL MG1 1 63 GLU HG3 . . 4.540 2.951 1.970 4.317 . 0 0 "[ . 1 . 2]" 1
725 1 45 VAL MG1 1 48 VAL HB . . 4.690 4.157 3.780 4.472 . 0 0 "[ . 1 . 2]" 1
726 1 45 VAL MG1 1 61 LEU HG . . 3.830 3.273 2.963 3.442 . 0 0 "[ . 1 . 2]" 1
727 1 43 VAL H 1 43 VAL MG2 . . 3.290 2.380 2.079 2.622 . 0 0 "[ . 1 . 2]" 1
728 1 36 GLY H 1 43 VAL MG2 . . 4.170 3.583 2.981 4.147 . 0 0 "[ . 1 . 2]" 1
729 1 35 GLY HA3 1 43 VAL MG2 . . 4.460 3.813 3.334 4.392 . 0 0 "[ . 1 . 2]" 1
730 1 36 GLY HA2 1 43 VAL MG2 . . 4.050 2.496 2.080 3.011 . 0 0 "[ . 1 . 2]" 1
731 1 43 VAL HA 1 43 VAL MG2 . . 3.380 2.364 2.275 2.492 . 0 0 "[ . 1 . 2]" 1
732 1 42 PRO HA 1 43 VAL MG2 . . 4.130 3.550 3.378 3.717 . 0 0 "[ . 1 . 2]" 1
733 1 43 VAL MG2 1 76 ALA HA . . 4.800 3.595 3.062 4.201 . 0 0 "[ . 1 . 2]" 1
734 1 43 VAL MG2 1 80 HIS HA . . 5.480 4.043 3.087 4.458 . 0 0 "[ . 1 . 2]" 1
735 1 36 GLY HA3 1 43 VAL MG2 . . 4.050 3.452 2.832 4.038 . 0 0 "[ . 1 . 2]" 1
736 1 43 VAL MG2 1 83 VAL HB . . 4.300 3.978 3.646 4.263 . 0 0 "[ . 1 . 2]" 1
737 1 43 VAL MG2 1 67 VAL HB . . 4.290 3.921 3.527 4.225 . 0 0 "[ . 1 . 2]" 1
738 1 43 VAL MG2 1 83 VAL QG . . 3.040 2.409 2.062 2.750 . 0 0 "[ . 1 . 2]" 1
739 1 51 GLY H 1 56 LEU MD2 . . 4.350 3.612 2.952 4.047 . 0 0 "[ . 1 . 2]" 1
740 1 56 LEU H 1 56 LEU MD2 . . 3.970 3.505 3.047 3.877 . 0 0 "[ . 1 . 2]" 1
741 1 33 VAL MG1 1 47 ARG H . . 5.500 5.364 5.208 5.502 0.002 19 0 "[ . 1 . 2]" 1
742 1 55 ASP H 1 56 LEU MD2 . . 5.500 5.205 4.826 5.468 . 0 0 "[ . 1 . 2]" 1
743 1 56 LEU HA 1 56 LEU MD2 . . 2.870 2.384 2.115 2.632 . 0 0 "[ . 1 . 2]" 1
744 1 56 LEU QB 1 56 LEU MD2 . . 3.110 2.140 2.013 2.250 . 0 0 "[ . 1 . 2]" 1
745 1 84 VAL H 1 84 VAL MG2 . . 3.300 2.158 1.889 2.426 . 0 0 "[ . 1 . 2]" 1
746 1 81 ASP HA 1 84 VAL MG2 . . 3.770 3.158 2.463 3.615 . 0 0 "[ . 1 . 2]" 1
747 1 33 VAL MG1 1 34 LYS H . . 4.020 3.673 3.326 3.889 . 0 0 "[ . 1 . 2]" 1
748 1 31 PHE QD 1 33 VAL MG1 . . 3.590 2.489 2.087 2.781 . 0 0 "[ . 1 . 2]" 1
749 1 31 PHE QE 1 33 VAL MG1 . . 3.750 2.263 1.986 2.759 . 0 0 "[ . 1 . 2]" 1
750 1 33 VAL HA 1 33 VAL MG1 . . 3.510 2.303 2.047 2.431 . 0 0 "[ . 1 . 2]" 1
751 1 33 VAL MG1 1 45 VAL HA . . 3.560 2.680 2.082 2.965 . 0 0 "[ . 1 . 2]" 1
752 1 80 HIS HE1 1 84 VAL MG2 . . 4.570 3.465 2.327 4.514 . 0 0 "[ . 1 . 2]" 1
753 1 84 VAL MG2 1 85 LEU H . . 4.080 3.845 3.693 4.004 . 0 0 "[ . 1 . 2]" 1
754 1 80 HIS HD2 1 84 VAL MG2 . . 4.550 2.835 1.941 4.066 . 0 0 "[ . 1 . 2]" 1
755 1 83 VAL HB 1 84 VAL MG2 . . 4.540 3.325 3.067 3.676 . 0 0 "[ . 1 . 2]" 1
756 1 49 ALA H 1 52 THR MG . . 4.570 3.559 2.969 3.920 . 0 0 "[ . 1 . 2]" 1
757 1 30 GLY H 1 52 THR MG . . 4.750 3.877 3.101 4.384 . 0 0 "[ . 1 . 2]" 1
758 1 52 THR MG 1 54 ALA H . . 5.200 4.048 3.960 4.112 . 0 0 "[ . 1 . 2]" 1
759 1 52 THR H 1 52 THR MG . . 3.470 3.062 2.532 3.402 . 0 0 "[ . 1 . 2]" 1
760 1 52 THR HG1 1 52 THR MG . . 3.150 2.136 1.966 2.379 . 0 0 "[ . 1 . 2]" 1
761 1 30 GLY HA2 1 52 THR MG . . 3.730 2.861 2.496 3.105 . 0 0 "[ . 1 . 2]" 1
762 1 52 THR HA 1 52 THR MG . . 3.410 2.249 2.071 2.413 . 0 0 "[ . 1 . 2]" 1
763 1 49 ALA HA 1 52 THR MG . . 4.830 4.420 3.915 4.736 . 0 0 "[ . 1 . 2]" 1
764 1 50 PRO HA 1 52 THR MG . . 4.770 4.212 3.863 4.519 . 0 0 "[ . 1 . 2]" 1
765 1 52 THR MG 1 53 PRO HD2 . . 4.230 2.905 2.645 3.327 . 0 0 "[ . 1 . 2]" 1
766 1 30 GLY HA3 1 52 THR MG . . 3.730 1.989 1.904 2.333 . 0 0 "[ . 1 . 2]" 1
767 1 52 THR MG 1 53 PRO HD3 . . 4.230 3.703 3.453 4.057 . 0 0 "[ . 1 . 2]" 1
768 1 106 ALA HA 1 107 VAL H . . 3.050 2.417 2.141 3.043 . 0 0 "[ . 1 . 2]" 1
769 1 105 ASN HA 1 106 ALA HA . . 4.700 4.509 4.320 4.627 . 0 0 "[ . 1 . 2]" 1
770 1 43 VAL MG1 1 44 ILE H . . 3.810 3.040 2.686 3.279 . 0 0 "[ . 1 . 2]" 1
771 1 43 VAL H 1 43 VAL MG1 . . 4.080 3.789 3.741 3.807 . 0 0 "[ . 1 . 2]" 1
772 1 43 VAL MG1 1 44 ILE HA . . 4.680 3.751 3.562 4.001 . 0 0 "[ . 1 . 2]" 1
773 1 43 VAL HA 1 43 VAL MG1 . . 3.570 2.356 2.276 2.487 . 0 0 "[ . 1 . 2]" 1
774 1 33 VAL HB 1 43 VAL MG1 . . 3.240 2.001 1.828 2.151 . 0 0 "[ . 1 . 2]" 1
775 1 43 VAL MG1 1 67 VAL HB . . 3.480 2.879 2.429 3.267 . 0 0 "[ . 1 . 2]" 1
776 1 43 VAL MG1 1 83 VAL QG . . 3.230 2.578 2.173 2.754 . 0 0 "[ . 1 . 2]" 1
777 1 68 VAL HA 1 68 VAL MG1 . . 3.290 2.349 2.245 2.441 . 0 0 "[ . 1 . 2]" 1
778 1 34 LYS H 1 43 VAL MG1 . . 4.480 2.970 2.622 3.231 . 0 0 "[ . 1 . 2]" 1
779 1 68 VAL H 1 68 VAL MG1 . . 4.460 3.797 3.765 3.862 . 0 0 "[ . 1 . 2]" 1
780 1 45 VAL H 1 45 VAL MG2 . . 3.350 2.137 1.974 2.425 . 0 0 "[ . 1 . 2]" 1
781 1 44 ILE HA 1 45 VAL MG2 . . 4.310 3.723 3.568 3.935 . 0 0 "[ . 1 . 2]" 1
782 1 48 VAL H 1 48 VAL MG1 . . 4.540 3.915 3.860 3.961 . 0 0 "[ . 1 . 2]" 1
783 1 31 PHE QD 1 48 VAL MG1 . . 5.050 4.801 4.423 5.054 0.004 20 0 "[ . 1 . 2]" 1
784 1 31 PHE HA 1 48 VAL MG1 . . 4.830 3.277 2.953 3.639 . 0 0 "[ . 1 . 2]" 1
785 1 48 VAL HA 1 48 VAL MG1 . . 3.430 2.372 2.246 2.453 . 0 0 "[ . 1 . 2]" 1
786 1 48 VAL MG1 1 61 LEU HB3 . . 4.240 3.494 3.047 4.159 . 0 0 "[ . 1 . 2]" 1
787 1 48 VAL MG1 1 54 ALA MB . . 4.580 2.965 2.694 3.169 . 0 0 "[ . 1 . 2]" 1
788 1 84 VAL MG1 1 85 LEU H . . 3.930 3.268 2.869 3.649 . 0 0 "[ . 1 . 2]" 1
789 1 81 ASP HA 1 84 VAL MG1 . . 4.580 4.319 4.078 4.580 0.000 9 0 "[ . 1 . 2]" 1
790 1 45 VAL MG2 1 64 GLY H . . 4.660 3.959 3.446 4.666 0.006 11 0 "[ . 1 . 2]" 1
791 1 45 VAL HA 1 45 VAL MG2 . . 3.630 2.348 2.254 2.425 . 0 0 "[ . 1 . 2]" 1
792 1 45 VAL MG2 1 65 ASP HB2 . . 3.890 2.572 1.974 3.905 0.015 11 0 "[ . 1 . 2]" 1
793 1 45 VAL MG2 1 65 ASP HB3 . . 4.190 3.676 2.987 4.189 . 0 0 "[ . 1 . 2]" 1
794 1 32 ASN H 1 45 VAL MG2 . . 4.760 4.657 4.387 4.762 0.002 20 0 "[ . 1 . 2]" 1
795 1 45 VAL MG2 1 65 ASP H . . 4.390 3.620 3.223 4.361 . 0 0 "[ . 1 . 2]" 1
796 1 31 PHE QD 1 45 VAL MG2 . . 3.970 3.073 2.391 3.354 . 0 0 "[ . 1 . 2]" 1
797 1 45 VAL MG2 1 61 LEU HG . . 3.840 2.479 1.979 2.861 . 0 0 "[ . 1 . 2]" 1
798 1 102 VAL H 1 102 VAL MG1 . . 3.560 2.573 2.333 2.735 . 0 0 "[ . 1 . 2]" 1
799 1 67 VAL H 1 102 VAL MG1 . . 4.310 4.021 3.474 4.301 . 0 0 "[ . 1 . 2]" 1
800 1 102 VAL HA 1 102 VAL MG1 . . 3.500 2.412 2.299 2.511 . 0 0 "[ . 1 . 2]" 1
801 1 101 LEU HA 1 102 VAL MG1 . . 4.520 3.826 3.671 3.957 . 0 0 "[ . 1 . 2]" 1
802 1 61 LEU HA 1 102 VAL MG1 . . 5.230 4.974 4.615 5.223 . 0 0 "[ . 1 . 2]" 1
803 1 67 VAL HA 1 102 VAL MG1 . . 3.480 2.503 2.155 2.883 . 0 0 "[ . 1 . 2]" 1
804 1 65 ASP HB2 1 102 VAL MG1 . . 4.230 3.234 2.049 4.024 . 0 0 "[ . 1 . 2]" 1
805 1 65 ASP HB3 1 102 VAL MG1 . . 3.830 2.488 2.005 3.699 . 0 0 "[ . 1 . 2]" 1
806 1 100 LEU HB2 1 102 VAL MG1 . . 3.900 3.156 2.881 3.369 . 0 0 "[ . 1 . 2]" 1
807 1 100 LEU HG 1 102 VAL MG1 . . 5.500 5.252 5.050 5.406 . 0 0 "[ . 1 . 2]" 1
808 1 101 LEU HG 1 102 VAL MG1 . . 5.500 5.275 5.048 5.454 . 0 0 "[ . 1 . 2]" 1
809 1 19 ILE QG 1 102 VAL MG1 . . 3.780 2.327 1.923 2.598 . 0 0 "[ . 1 . 2]" 1
810 1 100 LEU HB3 1 102 VAL MG1 . . 3.630 3.162 2.966 3.338 . 0 0 "[ . 1 . 2]" 1
811 1 100 LEU MD1 1 102 VAL MG1 . . 3.860 3.707 3.545 3.843 . 0 0 "[ . 1 . 2]" 1
812 1 110 VAL MG1 1 111 VAL H . . 4.360 3.070 1.906 4.159 . 0 0 "[ . 1 . 2]" 1
813 1 111 VAL H 1 111 VAL MG1 . . 4.680 2.999 1.910 3.932 . 0 0 "[ . 1 . 2]" 1
814 1 17 VAL H 1 17 VAL MG1 . . 4.350 3.444 1.955 3.821 . 0 0 "[ . 1 . 2]" 1
815 1 17 VAL MG1 1 18 LEU H . . 4.350 2.589 1.952 3.953 . 0 0 "[ . 1 . 2]" 1
816 1 17 VAL HA 1 17 VAL MG1 . . 3.340 2.529 2.294 3.194 . 0 0 "[ . 1 . 2]" 1
817 1 107 VAL H 1 107 VAL MG1 . . 4.120 3.073 1.997 3.946 . 0 0 "[ . 1 . 2]" 1
818 1 107 VAL HA 1 107 VAL MG1 . . 3.420 2.604 2.204 3.203 . 0 0 "[ . 1 . 2]" 1
819 1 17 VAL MG2 1 18 LEU H . . 4.350 3.563 1.916 4.059 . 0 0 "[ . 1 . 2]" 1
820 1 17 VAL HA 1 17 VAL MG2 . . 3.340 2.328 2.181 2.491 . 0 0 "[ . 1 . 2]" 1
821 1 31 PHE QE 1 67 VAL MG2 . . 4.470 4.069 3.727 4.365 . 0 0 "[ . 1 . 2]" 1
822 1 67 VAL HA 1 67 VAL MG2 . . 3.430 2.428 2.308 2.567 . 0 0 "[ . 1 . 2]" 1
823 1 43 VAL HB 1 67 VAL MG2 . . 4.400 3.588 3.285 3.817 . 0 0 "[ . 1 . 2]" 1
824 1 67 VAL MG2 1 100 LEU MD1 . . 3.930 3.630 3.188 3.926 . 0 0 "[ . 1 . 2]" 1
825 1 65 ASP HA 1 102 VAL MG1 . . 4.580 4.159 3.698 4.569 . 0 0 "[ . 1 . 2]" 1
826 1 19 ILE HB 1 102 VAL MG1 . . 4.350 3.874 3.278 4.334 . 0 0 "[ . 1 . 2]" 1
827 1 68 VAL H 1 68 VAL MG2 . . 4.460 2.432 2.092 2.692 . 0 0 "[ . 1 . 2]" 1
828 1 17 VAL H 1 17 VAL MG2 . . 4.350 2.768 2.181 3.814 . 0 0 "[ . 1 . 2]" 1
829 1 67 VAL H 1 67 VAL MG2 . . 3.300 2.151 1.905 2.490 . 0 0 "[ . 1 . 2]" 1
830 1 66 GLN HA 1 67 VAL MG2 . . 4.350 3.576 3.312 3.782 . 0 0 "[ . 1 . 2]" 1
831 1 103 ARG HA 1 104 PRO HD3 . . 3.460 2.267 2.252 2.429 . 0 0 "[ . 1 . 2]" 1
832 1 68 VAL MG2 1 69 LEU H . . 4.150 3.756 3.652 3.905 . 0 0 "[ . 1 . 2]" 1
833 1 110 VAL MG2 1 111 VAL H . . 4.360 3.341 1.961 4.244 . 0 0 "[ . 1 . 2]" 1
834 1 111 VAL H 1 111 VAL MG2 . . 4.680 3.261 2.440 3.995 . 0 0 "[ . 1 . 2]" 1
835 1 48 VAL H 1 48 VAL MG2 . . 4.540 2.890 2.724 3.041 . 0 0 "[ . 1 . 2]" 1
836 1 31 PHE QD 1 48 VAL MG2 . . 5.050 4.379 3.811 4.773 . 0 0 "[ . 1 . 2]" 1
837 1 31 PHE HA 1 48 VAL MG2 . . 4.830 2.835 2.380 3.429 . 0 0 "[ . 1 . 2]" 1
838 1 48 VAL HA 1 48 VAL MG2 . . 3.430 2.386 2.269 2.520 . 0 0 "[ . 1 . 2]" 1
839 1 48 VAL MG2 1 61 LEU HB3 . . 4.240 3.611 3.360 3.954 . 0 0 "[ . 1 . 2]" 1
840 1 48 VAL MG2 1 54 ALA MB . . 4.580 3.933 3.692 4.133 . 0 0 "[ . 1 . 2]" 1
841 1 107 VAL HA 1 107 VAL MG2 . . 3.420 2.485 2.169 3.203 . 0 0 "[ . 1 . 2]" 1
842 1 30 GLY H 1 54 ALA MB . . 3.580 2.509 1.880 3.581 0.001 6 0 "[ . 1 . 2]" 1
843 1 54 ALA MB 1 55 ASP H . . 3.930 3.063 2.916 3.227 . 0 0 "[ . 1 . 2]" 1
844 1 29 PHE QD 1 54 ALA MB . . 4.540 3.677 3.040 4.215 . 0 0 "[ . 1 . 2]" 1
845 1 31 PHE QD 1 54 ALA MB . . 3.280 2.274 1.955 2.698 . 0 0 "[ . 1 . 2]" 1
846 1 31 PHE HB2 1 54 ALA MB . . 4.220 3.641 3.415 3.974 . 0 0 "[ . 1 . 2]" 1
847 1 31 PHE HB3 1 54 ALA MB . . 4.220 2.345 2.130 2.593 . 0 0 "[ . 1 . 2]" 1
848 1 54 ALA MB 1 61 LEU MD1 . . 4.610 4.379 3.963 4.612 0.002 20 0 "[ . 1 . 2]" 1
849 1 11 ILE MG 1 12 PRO HD2 . . 4.240 2.700 1.818 3.418 . 0 0 "[ . 1 . 2]" 1
850 1 49 ALA HA 1 50 PRO HD3 . . 3.290 2.273 2.257 2.292 . 0 0 "[ . 1 . 2]" 1
851 1 75 ILE H 1 76 ALA MB . . 4.600 3.669 3.434 4.125 . 0 0 "[ . 1 . 2]" 1
852 1 52 THR HB 1 53 PRO HD2 . . 3.880 2.006 1.969 2.041 . 0 0 "[ . 1 . 2]" 1
853 1 76 ALA MB 1 77 GLU H . . 3.620 2.841 2.555 3.219 . 0 0 "[ . 1 . 2]" 1
854 1 76 ALA H 1 76 ALA MB . . 2.920 2.090 2.028 2.244 . 0 0 "[ . 1 . 2]" 1
855 1 76 ALA MB 1 77 GLU HA . . 4.640 3.835 3.711 4.046 . 0 0 "[ . 1 . 2]" 1
856 1 43 VAL MG2 1 76 ALA MB . . 4.830 4.412 3.782 4.804 . 0 0 "[ . 1 . 2]" 1
857 1 101 LEU HA 1 102 VAL MG2 . . 4.370 3.962 3.764 4.146 . 0 0 "[ . 1 . 2]" 1
858 1 67 VAL HA 1 102 VAL MG2 . . 5.260 4.841 4.657 5.061 . 0 0 "[ . 1 . 2]" 1
859 1 102 VAL H 1 102 VAL MG2 . . 3.410 2.135 1.891 2.346 . 0 0 "[ . 1 . 2]" 1
860 1 17 VAL H 1 102 VAL MG2 . . 4.140 3.529 3.165 4.139 . 0 0 "[ . 1 . 2]" 1
861 1 102 VAL MG2 1 103 ARG HA . . 4.790 3.914 3.672 4.246 . 0 0 "[ . 1 . 2]" 1
862 1 18 LEU HA 1 102 VAL MG2 . . 4.570 3.925 3.576 4.382 . 0 0 "[ . 1 . 2]" 1
863 1 102 VAL MG2 1 104 PRO HA . . 5.210 4.186 3.953 4.356 . 0 0 "[ . 1 . 2]" 1
864 1 65 ASP HB2 1 102 VAL MG2 . . 4.670 3.962 2.566 4.670 . 0 0 "[ . 1 . 2]" 1
865 1 102 VAL MG2 1 104 PRO HB3 . . 5.030 4.941 4.064 5.054 0.024 18 0 "[ . 1 . 2]" 1
866 1 65 ASP HB3 1 102 VAL MG2 . . 4.010 2.849 2.360 3.801 . 0 0 "[ . 1 . 2]" 1
867 1 100 LEU HB2 1 102 VAL MG2 . . 4.720 4.648 4.382 4.723 0.003 18 0 "[ . 1 . 2]" 1
868 1 19 ILE QG 1 102 VAL MG2 . . 3.590 2.427 2.132 2.816 . 0 0 "[ . 1 . 2]" 1
869 1 100 LEU MD1 1 102 VAL MG2 . . 5.260 5.147 5.004 5.261 0.001 6 0 "[ . 1 . 2]" 1
870 1 19 ILE MG 1 20 ARG H . . 3.530 2.627 2.066 3.096 . 0 0 "[ . 1 . 2]" 1
871 1 19 ILE HA 1 19 ILE MG . . 3.450 2.308 2.218 2.415 . 0 0 "[ . 1 . 2]" 1
872 1 19 ILE MG 1 57 CYS HG . . 3.980 2.782 1.981 3.942 . 0 0 "[ . 1 . 2]" 1
873 1 19 ILE MG 1 21 MET HB3 . . 4.540 3.360 3.166 3.512 . 0 0 "[ . 1 . 2]" 1
874 1 19 ILE MG 1 100 LEU HB2 . . 4.100 3.402 2.831 3.754 . 0 0 "[ . 1 . 2]" 1
875 1 19 ILE QG 1 19 ILE MG . . 3.300 2.380 2.263 2.456 . 0 0 "[ . 1 . 2]" 1
876 1 19 ILE MG 1 100 LEU MD1 . . 3.960 2.502 2.265 2.801 . 0 0 "[ . 1 . 2]" 1
877 1 19 ILE MG 1 61 LEU MD1 . . 4.260 2.457 1.965 2.921 . 0 0 "[ . 1 . 2]" 1
878 1 19 ILE H 1 19 ILE MG . . 4.500 3.824 3.761 3.866 . 0 0 "[ . 1 . 2]" 1
879 1 19 ILE MG 1 20 ARG HA . . 4.820 3.746 3.318 4.032 . 0 0 "[ . 1 . 2]" 1
880 1 19 ILE MG 1 57 CYS HB2 . . 4.980 4.057 3.724 4.476 . 0 0 "[ . 1 . 2]" 1
881 1 19 ILE MG 1 61 LEU MD2 . . 4.260 3.155 2.738 3.559 . 0 0 "[ . 1 . 2]" 1
882 1 70 ILE H 1 75 ILE MG . . 4.090 2.629 1.930 3.433 . 0 0 "[ . 1 . 2]" 1
883 1 75 ILE H 1 75 ILE MG . . 3.690 2.819 2.414 3.206 . 0 0 "[ . 1 . 2]" 1
884 1 69 LEU HA 1 75 ILE MG . . 4.640 3.665 2.835 4.500 . 0 0 "[ . 1 . 2]" 1
885 1 73 ARG QB 1 75 ILE MG . . 4.430 3.060 2.605 4.243 . 0 0 "[ . 1 . 2]" 1
886 1 70 ILE HB 1 75 ILE MG . . 3.680 2.151 1.864 2.855 . 0 0 "[ . 1 . 2]" 1
887 1 75 ILE HG12 1 75 ILE MG . . 3.610 2.071 1.991 2.237 . 0 0 "[ . 1 . 2]" 1
888 1 75 ILE HG13 1 75 ILE MG . . 3.610 2.684 2.532 3.117 . 0 0 "[ . 1 . 2]" 1
889 1 70 ILE MD 1 75 ILE MG . . 3.300 2.120 1.760 3.302 0.002 7 0 "[ . 1 . 2]" 1
890 1 22 LYS HB3 1 23 PRO HD2 . . 4.550 3.231 1.979 3.605 . 0 0 "[ . 1 . 2]" 1
891 1 22 LYS HB2 1 23 PRO HD2 . . 4.550 2.315 1.995 3.516 . 0 0 "[ . 1 . 2]" 1
892 1 22 LYS HB2 1 23 PRO HD3 . . 4.550 3.691 3.357 4.622 0.072 7 0 "[ . 1 . 2]" 1
893 1 115 GLY HA2 1 116 PRO QD . . 3.490 2.164 1.940 3.449 . 0 0 "[ . 1 . 2]" 1
894 1 21 MET ME 1 30 GLY H . . 5.420 4.813 4.410 5.412 . 0 0 "[ . 1 . 2]" 1
895 1 21 MET ME 1 54 ALA H . . 5.500 4.718 4.242 5.282 . 0 0 "[ . 1 . 2]" 1
896 1 21 MET H 1 21 MET ME . . 4.600 4.385 3.954 4.597 . 0 0 "[ . 1 . 2]" 1
897 1 21 MET ME 1 29 PHE QD . . 3.990 3.434 2.502 3.987 . 0 0 "[ . 1 . 2]" 1
898 1 21 MET ME 1 31 PHE QD . . 3.590 3.121 2.714 3.580 . 0 0 "[ . 1 . 2]" 1
899 1 21 MET HA 1 21 MET ME . . 5.130 4.899 4.545 5.130 . 0 0 "[ . 1 . 2]" 1
900 1 21 MET ME 1 54 ALA HA . . 3.040 2.505 2.014 3.039 . 0 0 "[ . 1 . 2]" 1
901 1 21 MET ME 1 57 CYS HG . . 4.420 3.543 2.179 4.307 . 0 0 "[ . 1 . 2]" 1
902 1 21 MET ME 1 61 LEU MD2 . . 3.640 2.516 1.974 2.951 . 0 0 "[ . 1 . 2]" 1
903 1 19 ILE MD 1 21 MET ME . . 4.150 3.996 3.619 4.151 0.001 19 0 "[ . 1 . 2]" 1
904 1 21 MET ME 1 100 LEU MD1 . . 3.000 1.975 1.741 2.223 . 0 0 "[ . 1 . 2]" 1
905 1 21 MET ME 1 61 LEU MD1 . . 3.640 3.444 2.991 3.643 0.003 15 0 "[ . 1 . 2]" 1
906 1 22 LYS HB3 1 23 PRO HD3 . . 4.550 4.264 3.423 4.567 0.017 17 0 "[ . 1 . 2]" 1
907 1 49 ALA H 1 49 ALA MB . . 3.060 2.193 2.063 2.493 . 0 0 "[ . 1 . 2]" 1
908 1 49 ALA MB 1 52 THR HG1 . . 3.980 3.781 3.519 3.983 0.003 11 0 "[ . 1 . 2]" 1
909 1 30 GLY HA2 1 49 ALA MB . . 4.370 4.058 3.551 4.336 . 0 0 "[ . 1 . 2]" 1
910 1 49 ALA MB 1 52 THR HB . . 5.160 4.806 4.294 5.110 . 0 0 "[ . 1 . 2]" 1
911 1 48 VAL HA 1 49 ALA MB . . 4.020 3.956 3.807 4.021 0.001 5 0 "[ . 1 . 2]" 1
912 1 49 ALA MB 1 50 PRO HD2 . . 3.600 2.256 2.042 2.468 . 0 0 "[ . 1 . 2]" 1
913 1 30 GLY HA3 1 49 ALA MB . . 4.370 3.966 3.295 4.370 . 0 0 "[ . 1 . 2]" 1
914 1 49 ALA MB 1 50 PRO HD3 . . 3.600 3.381 3.263 3.490 . 0 0 "[ . 1 . 2]" 1
915 1 89 ALA H 1 89 ALA MB . . 3.200 2.162 2.035 2.263 . 0 0 "[ . 1 . 2]" 1
916 1 86 PHE QD 1 89 ALA MB . . 4.590 3.812 3.124 4.401 . 0 0 "[ . 1 . 2]" 1
917 1 86 PHE HA 1 89 ALA MB . . 3.530 2.787 2.202 3.295 . 0 0 "[ . 1 . 2]" 1
918 1 87 ILE MG 1 89 ALA MB . . 5.450 5.387 5.230 5.457 0.007 7 0 "[ . 1 . 2]" 1
919 1 87 ILE H 1 87 ILE MG . . 4.130 3.768 3.761 3.788 . 0 0 "[ . 1 . 2]" 1
920 1 87 ILE MG 1 88 LYS H . . 4.100 3.373 2.980 3.636 . 0 0 "[ . 1 . 2]" 1
921 1 29 PHE QE 1 87 ILE MG . . 3.890 2.788 2.036 3.695 . 0 0 "[ . 1 . 2]" 1
922 1 29 PHE QD 1 87 ILE MG . . 3.750 2.989 2.437 3.711 . 0 0 "[ . 1 . 2]" 1
923 1 31 PHE HZ 1 87 ILE MG . . 3.650 2.369 1.891 2.894 . 0 0 "[ . 1 . 2]" 1
924 1 20 ARG HD3 1 99 MET ME . . 4.120 2.979 2.191 4.058 . 0 0 "[ . 1 . 2]" 1
925 1 44 ILE MG 1 64 GLY H . . 3.760 2.449 2.188 2.772 . 0 0 "[ . 1 . 2]" 1
926 1 44 ILE H 1 44 ILE MG . . 4.030 3.846 3.779 3.936 . 0 0 "[ . 1 . 2]" 1
927 1 44 ILE HA 1 44 ILE MG . . 3.400 2.357 2.197 2.450 . 0 0 "[ . 1 . 2]" 1
928 1 44 ILE MG 1 64 GLY HA2 . . 3.670 2.177 1.958 2.449 . 0 0 "[ . 1 . 2]" 1
929 1 44 ILE MG 1 64 GLY HA3 . . 3.670 3.479 3.260 3.670 . 0 0 "[ . 1 . 2]" 1
930 1 34 LYS HE3 1 44 ILE MG . . 4.320 3.772 2.973 4.327 0.007 19 0 "[ . 1 . 2]" 1
931 1 44 ILE MG 1 45 VAL HB . . 4.800 3.267 3.110 3.441 . 0 0 "[ . 1 . 2]" 1
932 1 33 VAL MG2 1 34 LYS H . . 4.190 3.499 3.150 3.961 . 0 0 "[ . 1 . 2]" 1
933 1 33 VAL MG2 1 80 HIS HE1 . . 4.100 3.072 2.275 4.025 . 0 0 "[ . 1 . 2]" 1
934 1 33 VAL MG2 1 43 VAL MG2 . . 4.210 4.043 3.812 4.211 0.001 16 0 "[ . 1 . 2]" 1
935 1 31 PHE QE 1 33 VAL MG2 . . 4.760 3.756 2.744 4.101 . 0 0 "[ . 1 . 2]" 1
936 1 33 VAL MG2 1 84 VAL HA . . 4.790 3.588 2.960 4.386 . 0 0 "[ . 1 . 2]" 1
937 1 33 VAL MG2 1 83 VAL QG . . 3.110 2.704 2.193 3.062 . 0 0 "[ . 1 . 2]" 1
938 1 20 ARG HD2 1 99 MET ME . . 4.120 3.311 1.950 4.111 . 0 0 "[ . 1 . 2]" 1
939 1 18 LEU MD1 1 99 MET ME . . 3.070 2.635 1.960 3.063 . 0 0 "[ . 1 . 2]" 1
940 1 11 ILE HA 1 11 ILE MG . . 3.390 2.313 1.991 2.482 . 0 0 "[ . 1 . 2]" 1
941 1 11 ILE MG 1 12 PRO HD3 . . 4.240 3.681 3.149 4.141 . 0 0 "[ . 1 . 2]" 1
942 1 11 ILE HG12 1 11 ILE MG . . 3.740 2.633 2.062 3.202 . 0 0 "[ . 1 . 2]" 1
943 1 41 MET ME 1 44 ILE H . . 4.730 3.453 3.046 3.828 . 0 0 "[ . 1 . 2]" 1
944 1 35 GLY HA3 1 41 MET ME . . 3.820 2.459 2.011 2.797 . 0 0 "[ . 1 . 2]" 1
945 1 41 MET ME 1 42 PRO HD3 . . 4.680 4.396 4.134 4.679 . 0 0 "[ . 1 . 2]" 1
946 1 41 MET ME 1 42 PRO HD2 . . 3.790 2.918 2.606 3.194 . 0 0 "[ . 1 . 2]" 1
947 1 41 MET ME 1 44 ILE MG . . 4.820 4.667 3.978 4.828 0.008 16 0 "[ . 1 . 2]" 1
948 1 41 MET ME 1 44 ILE MD . . 3.790 2.756 2.134 3.786 . 0 0 "[ . 1 . 2]" 1
949 1 70 ILE MG 1 71 ASN HD21 . . 4.610 2.793 1.916 4.490 . 0 0 "[ . 1 . 2]" 1
950 1 70 ILE MG 1 71 ASN H . . 3.890 2.760 2.301 3.330 . 0 0 "[ . 1 . 2]" 1
951 1 70 ILE H 1 70 ILE MG . . 4.480 3.804 3.717 3.904 . 0 0 "[ . 1 . 2]" 1
952 1 70 ILE MG 1 86 PHE QD . . 4.340 2.745 2.078 3.545 . 0 0 "[ . 1 . 2]" 1
953 1 70 ILE MG 1 86 PHE QE . . 4.500 3.036 1.832 4.468 . 0 0 "[ . 1 . 2]" 1
954 1 70 ILE MG 1 71 ASN HD22 . . 4.610 3.188 1.948 4.198 . 0 0 "[ . 1 . 2]" 1
955 1 70 ILE MG 1 100 LEU HA . . 4.650 3.859 3.529 4.454 . 0 0 "[ . 1 . 2]" 1
956 1 70 ILE HA 1 70 ILE MG . . 3.430 2.430 2.346 2.527 . 0 0 "[ . 1 . 2]" 1
957 1 70 ILE MG 1 87 ILE HA . . 3.960 3.445 2.966 3.917 . 0 0 "[ . 1 . 2]" 1
958 1 70 ILE MG 1 71 ASN HB2 . . 4.770 3.006 2.330 4.212 . 0 0 "[ . 1 . 2]" 1
959 1 70 ILE MG 1 71 ASN HB3 . . 4.770 3.919 2.741 4.248 . 0 0 "[ . 1 . 2]" 1
960 1 70 ILE MG 1 73 ARG QB . . 4.760 4.055 3.001 4.740 . 0 0 "[ . 1 . 2]" 1
961 1 70 ILE MG 1 98 LEU MD1 . . 4.550 3.230 2.647 3.852 . 0 0 "[ . 1 . 2]" 1
962 1 70 ILE MG 1 87 ILE H . . 4.840 4.513 3.925 4.838 . 0 0 "[ . 1 . 2]" 1
963 1 30 GLY HA2 1 52 THR HB . . 4.090 3.780 3.462 3.986 . 0 0 "[ . 1 . 2]" 1
964 1 30 GLY HA2 1 54 ALA MB . . 5.070 4.230 3.947 4.651 . 0 0 "[ . 1 . 2]" 1
965 1 35 GLY HA3 1 41 MET HB2 . . 4.510 4.424 4.301 4.512 0.002 13 0 "[ . 1 . 2]" 1
966 1 35 GLY HA3 1 41 MET HB3 . . 5.500 4.897 4.707 5.138 . 0 0 "[ . 1 . 2]" 1
967 1 37 TYR QD 1 77 GLU HA . . 4.060 3.071 2.379 4.010 . 0 0 "[ . 1 . 2]" 1
968 1 31 PHE QE 1 87 ILE MG . . 4.570 3.138 2.523 3.627 . 0 0 "[ . 1 . 2]" 1
969 1 31 PHE QE 1 45 VAL MG2 . . 5.160 4.294 3.546 4.832 . 0 0 "[ . 1 . 2]" 1
970 1 31 PHE HZ 1 87 ILE MD . . 4.820 2.543 1.988 3.810 . 0 0 "[ . 1 . 2]" 1
971 1 33 VAL HA 1 34 LYS H . . 3.310 2.371 2.203 2.498 . 0 0 "[ . 1 . 2]" 1
972 1 33 VAL HA 1 45 VAL HA . . 3.710 2.366 2.011 2.605 . 0 0 "[ . 1 . 2]" 1
973 1 33 VAL HA 1 43 VAL MG1 . . 4.410 3.736 3.482 3.938 . 0 0 "[ . 1 . 2]" 1
974 1 33 VAL HA 1 45 VAL MG2 . . 4.910 4.072 3.654 4.354 . 0 0 "[ . 1 . 2]" 1
975 1 102 VAL HA 1 103 ARG H . . 3.300 2.357 2.218 2.496 . 0 0 "[ . 1 . 2]" 1
976 1 68 VAL H 1 102 VAL HA . . 3.770 2.740 2.331 3.350 . 0 0 "[ . 1 . 2]" 1
977 1 67 VAL HA 1 102 VAL HA . . 3.830 2.716 2.465 3.218 . 0 0 "[ . 1 . 2]" 1
978 1 68 VAL HB 1 102 VAL HA . . 4.840 4.176 3.774 4.818 . 0 0 "[ . 1 . 2]" 1
979 1 102 VAL HA 1 102 VAL MG2 . . 3.660 3.191 3.175 3.202 . 0 0 "[ . 1 . 2]" 1
980 1 44 ILE HA 1 45 VAL H . . 3.240 2.217 2.176 2.271 . 0 0 "[ . 1 . 2]" 1
981 1 44 ILE HA 1 66 GLN HA . . 3.590 2.297 2.002 2.937 . 0 0 "[ . 1 . 2]" 1
982 1 44 ILE HA 1 67 VAL MG2 . . 4.330 3.493 3.051 4.002 . 0 0 "[ . 1 . 2]" 1
983 1 44 ILE HA 1 45 VAL HB . . 5.000 4.711 4.527 4.774 . 0 0 "[ . 1 . 2]" 1
984 1 18 LEU MD1 1 20 ARG HA . . 5.380 4.781 4.300 5.182 . 0 0 "[ . 1 . 2]" 1
985 1 20 ARG HA 1 100 LEU H . . 4.450 4.324 4.057 4.450 . 0 0 "[ . 1 . 2]" 1
986 1 20 ARG HA 1 20 ARG HG2 . . 4.210 2.529 2.201 3.073 . 0 0 "[ . 1 . 2]" 1
987 1 20 ARG HA 1 20 ARG HG3 . . 4.210 2.963 2.239 3.705 . 0 0 "[ . 1 . 2]" 1
988 1 19 ILE H 1 101 LEU HA . . 4.340 3.727 3.255 4.022 . 0 0 "[ . 1 . 2]" 1
989 1 31 PHE HA 1 54 ALA MB . . 4.580 4.100 3.881 4.363 . 0 0 "[ . 1 . 2]" 1
990 1 31 PHE HA 1 31 PHE QD . . 4.230 3.673 3.597 3.725 . 0 0 "[ . 1 . 2]" 1
991 1 31 PHE HA 1 48 VAL HA . . 3.780 2.632 2.257 2.941 . 0 0 "[ . 1 . 2]" 1
992 1 31 PHE HA 1 45 VAL MG1 . . 4.630 3.694 3.474 4.058 . 0 0 "[ . 1 . 2]" 1
993 1 66 GLN HA 1 67 VAL H . . 3.280 2.157 2.139 2.283 . 0 0 "[ . 1 . 2]" 1
994 1 66 GLN HA 1 66 GLN HG3 . . 4.230 2.763 2.494 3.620 . 0 0 "[ . 1 . 2]" 1
995 1 44 ILE MG 1 66 GLN HA . . 4.130 3.137 2.795 3.658 . 0 0 "[ . 1 . 2]" 1
996 1 22 LYS HA 1 23 PRO HD2 . . 3.560 2.347 2.255 2.425 . 0 0 "[ . 1 . 2]" 1
997 1 22 LYS HA 1 23 PRO HD3 . . 3.560 2.284 2.261 2.310 . 0 0 "[ . 1 . 2]" 1
998 1 22 LYS HA 1 23 PRO QG . . 4.610 3.970 3.915 4.018 . 0 0 "[ . 1 . 2]" 1
999 1 22 LYS HA 1 97 GLU QB . . 5.110 4.238 2.771 5.087 . 0 0 "[ . 1 . 2]" 1
1000 1 99 MET HA 1 100 LEU H . . 3.160 2.184 2.142 2.271 . 0 0 "[ . 1 . 2]" 1
1001 1 20 ARG HA 1 99 MET HA . . 3.690 3.227 2.815 3.625 . 0 0 "[ . 1 . 2]" 1
1002 1 71 ASN HA 1 99 MET HA . . 5.480 5.196 4.812 5.458 . 0 0 "[ . 1 . 2]" 1
1003 1 41 MET HA 1 42 PRO HD3 . . 3.200 2.294 2.285 2.303 . 0 0 "[ . 1 . 2]" 1
1004 1 41 MET HA 1 42 PRO HD2 . . 3.320 2.386 2.360 2.410 . 0 0 "[ . 1 . 2]" 1
1005 1 41 MET HA 1 42 PRO HG3 . . 4.640 4.463 4.448 4.478 . 0 0 "[ . 1 . 2]" 1
1006 1 100 LEU HA 1 101 LEU H . . 3.290 2.177 2.140 2.353 . 0 0 "[ . 1 . 2]" 1
1007 1 70 ILE HA 1 100 LEU HA . . 3.880 2.745 2.443 2.946 . 0 0 "[ . 1 . 2]" 1
1008 1 100 LEU HA 1 100 LEU MD2 . . 3.440 2.451 2.210 2.590 . 0 0 "[ . 1 . 2]" 1
1009 1 17 VAL HB 1 103 ARG HA . . 5.220 4.578 3.864 5.238 0.018 18 0 "[ . 1 . 2]" 1
1010 1 103 ARG HA 1 104 PRO HD2 . . 3.460 2.118 1.921 2.192 . 0 0 "[ . 1 . 2]" 1
1011 1 16 LEU MD1 1 103 ARG HA . . 4.840 3.249 1.910 4.782 . 0 0 "[ . 1 . 2]" 1
1012 1 32 ASN HA 1 33 VAL MG1 . . 4.610 3.559 3.331 4.030 . 0 0 "[ . 1 . 2]" 1
1013 1 32 ASN HA 1 33 VAL H . . 3.410 2.347 2.174 2.461 . 0 0 "[ . 1 . 2]" 1
1014 1 32 ASN HA 1 33 VAL MG2 . . 4.390 3.691 3.279 3.876 . 0 0 "[ . 1 . 2]" 1
1015 1 62 ASN HA 1 63 GLU H . . 3.140 2.380 2.153 2.472 . 0 0 "[ . 1 . 2]" 1
1016 1 48 VAL HB 1 62 ASN HA . . 4.520 3.881 3.218 4.500 . 0 0 "[ . 1 . 2]" 1
1017 1 22 LYS HA 1 97 GLU HA . . 4.180 3.540 2.616 4.168 . 0 0 "[ . 1 . 2]" 1
1018 1 13 HIS HA 1 13 HIS HD2 . . 4.530 3.595 2.332 4.525 . 0 0 "[ . 1 . 2]" 1
1019 1 97 GLU HA 1 98 LEU H . . 3.250 2.399 2.139 2.565 . 0 0 "[ . 1 . 2]" 1
1020 1 15 ASN HA 1 16 LEU H . . 3.560 3.148 2.262 3.570 0.010 18 0 "[ . 1 . 2]" 1
1021 1 16 LEU HA 1 16 LEU MD1 . . 3.910 2.915 1.982 3.869 . 0 0 "[ . 1 . 2]" 1
1022 1 16 LEU HA 1 16 LEU HG . . 4.040 3.190 2.236 3.769 . 0 0 "[ . 1 . 2]" 1
1023 1 16 LEU HA 1 103 ARG HA . . 4.180 3.713 3.200 4.182 0.002 18 0 "[ . 1 . 2]" 1
1024 1 16 LEU HA 1 17 VAL H . . 3.270 2.309 2.212 2.367 . 0 0 "[ . 1 . 2]" 1
1025 1 18 LEU HA 1 19 ILE H . . 3.210 2.184 2.140 2.237 . 0 0 "[ . 1 . 2]" 1
1026 1 18 LEU HA 1 101 LEU HA . . 3.830 2.841 2.498 3.158 . 0 0 "[ . 1 . 2]" 1
1027 1 18 LEU HA 1 18 LEU MD1 . . 3.250 2.489 2.138 2.687 . 0 0 "[ . 1 . 2]" 1
1028 1 19 ILE MD 1 102 VAL MG2 . . 3.140 2.664 2.317 2.951 . 0 0 "[ . 1 . 2]" 1
1029 1 21 MET HA 1 22 LYS H . . 3.160 2.443 2.263 2.550 . 0 0 "[ . 1 . 2]" 1
1030 1 19 ILE MG 1 21 MET ME . . 2.660 1.954 1.761 2.272 . 0 0 "[ . 1 . 2]" 1
1031 1 21 MET ME 1 54 ALA MB . . 3.030 2.310 1.971 2.771 . 0 0 "[ . 1 . 2]" 1
1032 1 21 MET HB3 1 21 MET ME . . 3.490 2.904 2.366 3.415 . 0 0 "[ . 1 . 2]" 1
1033 1 21 MET ME 1 21 MET HG3 . . 3.690 2.628 2.024 3.357 . 0 0 "[ . 1 . 2]" 1
1034 1 21 MET ME 1 21 MET HG2 . . 3.690 2.737 1.999 3.331 . 0 0 "[ . 1 . 2]" 1
1035 1 29 PHE HA 1 53 PRO HB3 . . 5.380 5.263 5.055 5.380 . 0 0 "[ . 1 . 2]" 1
1036 1 29 PHE HA 1 53 PRO HB2 . . 5.380 4.544 4.218 4.814 . 0 0 "[ . 1 . 2]" 1
1037 1 29 PHE HA 1 29 PHE QD . . 3.800 2.881 2.515 3.160 . 0 0 "[ . 1 . 2]" 1
1038 1 34 LYS HA 1 80 HIS HE1 . . 3.650 2.838 2.006 3.378 . 0 0 "[ . 1 . 2]" 1
1039 1 18 LEU HA 1 102 VAL H . . 4.430 3.364 2.871 3.830 . 0 0 "[ . 1 . 2]" 1
1040 1 35 GLY HA3 1 43 VAL HA . . 4.130 3.160 2.631 3.662 . 0 0 "[ . 1 . 2]" 1
1041 1 43 VAL HA 1 44 ILE H . . 3.250 2.164 2.140 2.212 . 0 0 "[ . 1 . 2]" 1
1042 1 44 ILE HG13 1 44 ILE MG . . 3.610 2.593 2.271 2.728 . 0 0 "[ . 1 . 2]" 1
1043 1 44 ILE HG12 1 44 ILE MG . . 3.610 2.273 1.990 3.195 . 0 0 "[ . 1 . 2]" 1
1044 1 34 LYS QG 1 44 ILE MG . . 4.420 3.964 3.310 4.387 . 0 0 "[ . 1 . 2]" 1
1045 1 47 ARG HA 1 48 VAL H . . 3.160 2.321 2.232 2.446 . 0 0 "[ . 1 . 2]" 1
1046 1 47 ARG HA 1 63 GLU HG2 . . 4.160 2.833 2.205 4.086 . 0 0 "[ . 1 . 2]" 1
1047 1 47 ARG HA 1 63 GLU HG3 . . 4.160 3.203 2.465 4.113 . 0 0 "[ . 1 . 2]" 1
1048 1 47 ARG HA 1 47 ARG HG2 . . 4.030 3.517 2.178 3.785 . 0 0 "[ . 1 . 2]" 1
1049 1 49 ALA HA 1 50 PRO HD2 . . 3.290 2.314 2.245 2.382 . 0 0 "[ . 1 . 2]" 1
1050 1 49 ALA MB 1 52 THR MG . . 2.910 2.439 2.108 2.660 . 0 0 "[ . 1 . 2]" 1
1051 1 52 THR HA 1 53 PRO HD2 . . 3.810 2.401 2.367 2.448 . 0 0 "[ . 1 . 2]" 1
1052 1 52 THR HA 1 53 PRO HD3 . . 3.810 2.301 2.288 2.320 . 0 0 "[ . 1 . 2]" 1
1053 1 55 ASP HA 1 60 ARG HG3 . . 4.820 2.432 2.003 3.384 . 0 0 "[ . 1 . 2]" 1
1054 1 69 LEU HA 1 74 ASP HA . . 4.160 3.752 2.688 4.157 . 0 0 "[ . 1 . 2]" 1
1055 1 74 ASP HA 1 75 ILE H . . 3.220 2.179 2.139 2.284 . 0 0 "[ . 1 . 2]" 1
1056 1 19 ILE MG 1 57 CYS HB3 . . 4.980 4.711 4.340 4.966 . 0 0 "[ . 1 . 2]" 1
1057 1 58 VAL HA 1 59 PRO HA . . 3.020 2.051 1.967 2.141 . 0 0 "[ . 1 . 2]" 1
1058 1 75 ILE MD 1 76 ALA MB . . 4.220 3.383 2.659 4.171 . 0 0 "[ . 1 . 2]" 1
1059 1 75 ILE MD 1 83 VAL QG . . 3.330 2.214 1.814 2.796 . 0 0 "[ . 1 . 2]" 1
1060 1 43 VAL MG2 1 75 ILE MD . . 2.950 2.363 1.853 2.838 . 0 0 "[ . 1 . 2]" 1
1061 1 75 ILE MD 1 75 ILE MG . . 3.160 3.120 2.498 3.195 0.035 20 0 "[ . 1 . 2]" 1
1062 1 86 PHE HA 1 86 PHE QD . . 3.560 2.468 2.001 3.099 . 0 0 "[ . 1 . 2]" 1
1063 1 98 LEU HA 1 99 MET H . . 3.400 2.190 2.140 2.316 . 0 0 "[ . 1 . 2]" 1
1064 1 69 LEU HG 1 101 LEU MD2 . . 3.730 3.341 2.700 3.693 . 0 0 "[ . 1 . 2]" 1
1065 1 108 TYR HA 1 108 TYR QD . . 3.750 3.225 2.213 3.733 . 0 0 "[ . 1 . 2]" 1
1066 1 35 GLY H 1 80 HIS HE1 . . 4.790 4.314 3.446 4.790 0.000 20 0 "[ . 1 . 2]" 1
1067 1 33 VAL MG1 1 43 VAL MG1 . . 2.930 2.501 1.888 2.806 . 0 0 "[ . 1 . 2]" 1
1068 1 67 VAL MG1 1 70 ILE MD . . 3.160 2.652 2.095 3.097 . 0 0 "[ . 1 . 2]" 1
1069 1 19 ILE MD 1 61 LEU MD2 . . 4.170 3.996 3.651 4.176 0.006 11 0 "[ . 1 . 2]" 1
1070 1 45 VAL MG2 1 61 LEU MD2 . . 3.480 2.439 1.814 3.102 . 0 0 "[ . 1 . 2]" 1
1071 1 19 ILE MD 1 19 ILE MG . . 2.830 1.922 1.857 2.062 . 0 0 "[ . 1 . 2]" 1
1072 1 70 ILE MG 1 100 LEU MD2 . . 3.420 2.276 1.813 2.856 . 0 0 "[ . 1 . 2]" 1
1073 1 16 LEU HB3 1 101 LEU MD1 . . 3.600 2.537 1.940 3.385 . 0 0 "[ . 1 . 2]" 1
1074 1 16 LEU HB2 1 101 LEU MD1 . . 3.600 2.941 2.340 3.598 . 0 0 "[ . 1 . 2]" 1
1075 1 11 ILE HG13 1 11 ILE MG . . 3.740 2.789 2.305 3.201 . 0 0 "[ . 1 . 2]" 1
1076 1 67 VAL MG1 1 75 ILE MD . . 3.070 2.697 2.172 3.013 . 0 0 "[ . 1 . 2]" 1
1077 1 45 VAL MG1 1 61 LEU MD2 . . 4.330 3.152 2.640 3.700 . 0 0 "[ . 1 . 2]" 1
1078 1 19 ILE MD 1 102 VAL MG1 . . 3.550 3.322 2.993 3.527 . 0 0 "[ . 1 . 2]" 1
1079 1 33 VAL MG1 1 45 VAL MG2 . . 3.380 2.933 2.317 3.343 . 0 0 "[ . 1 . 2]" 1
1080 1 75 ILE MG 1 86 PHE QD . . 4.050 2.813 2.150 3.989 . 0 0 "[ . 1 . 2]" 1
1081 1 31 PHE QD 1 61 LEU MD2 . . 5.010 2.826 2.445 3.156 . 0 0 "[ . 1 . 2]" 1
1082 1 61 LEU H 1 61 LEU MD1 . . 5.500 4.038 3.785 4.282 . 0 0 "[ . 1 . 2]" 1
1083 1 21 MET ME 1 31 PHE QE . . 3.610 3.022 2.407 3.567 . 0 0 "[ . 1 . 2]" 1
1084 1 43 VAL H 1 67 VAL MG2 . . 5.500 5.297 4.956 5.500 . 0 0 "[ . 1 . 2]" 1
1085 1 66 GLN H 1 67 VAL MG2 . . 5.500 5.054 4.783 5.232 . 0 0 "[ . 1 . 2]" 1
1086 1 33 VAL MG2 1 87 ILE MD . . 3.530 3.085 2.531 3.530 . 0 0 "[ . 1 . 2]" 1
1087 1 33 VAL MG2 1 43 VAL MG1 . . 3.090 2.671 2.292 2.877 . 0 0 "[ . 1 . 2]" 1
1088 1 19 ILE MD 1 100 LEU MD1 . . 4.270 4.138 3.949 4.262 . 0 0 "[ . 1 . 2]" 1
1089 1 87 ILE MG 1 100 LEU MD2 . . 3.360 3.220 2.843 3.357 . 0 0 "[ . 1 . 2]" 1
1090 1 43 VAL HB 1 67 VAL HB . . 3.960 2.491 2.050 2.911 . 0 0 "[ . 1 . 2]" 1
1091 1 18 LEU MD1 1 101 LEU HA . . 3.930 3.236 2.915 3.882 . 0 0 "[ . 1 . 2]" 1
1092 1 18 LEU HA 1 101 LEU MD1 . . 3.490 3.013 2.686 3.325 . 0 0 "[ . 1 . 2]" 1
1093 1 33 VAL HA 1 47 ARG H . . 5.110 4.735 4.527 4.902 . 0 0 "[ . 1 . 2]" 1
1094 1 11 ILE HA 1 11 ILE QG . . 3.640 3.110 2.427 3.502 . 0 0 "[ . 1 . 2]" 1
1095 1 11 ILE HA 1 12 PRO QG . . 4.530 3.896 3.780 3.973 . 0 0 "[ . 1 . 2]" 1
1096 1 11 ILE HA 1 12 PRO QD . . 2.650 1.992 1.876 2.064 . 0 0 "[ . 1 . 2]" 1
1097 1 11 ILE HB 1 12 PRO QD . . 4.090 2.804 1.987 4.006 . 0 0 "[ . 1 . 2]" 1
1098 1 11 ILE QG 1 11 ILE MG . . 3.150 2.220 2.009 2.466 . 0 0 "[ . 1 . 2]" 1
1099 1 11 ILE MG 1 12 PRO QD . . 3.480 2.616 1.807 3.265 . 0 0 "[ . 1 . 2]" 1
1100 1 16 LEU H 1 16 LEU QD . . 4.050 2.660 1.902 3.544 . 0 0 "[ . 1 . 2]" 1
1101 1 16 LEU HA 1 16 LEU QD . . 3.120 2.153 1.881 2.929 . 0 0 "[ . 1 . 2]" 1
1102 1 16 LEU HA 1 17 VAL QG . . 4.050 3.585 3.256 4.022 . 0 0 "[ . 1 . 2]" 1
1103 1 16 LEU HA 1 104 PRO QD . . 4.630 2.454 2.175 2.921 . 0 0 "[ . 1 . 2]" 1
1104 1 16 LEU QB 1 17 VAL H . . 4.020 2.669 2.469 2.963 . 0 0 "[ . 1 . 2]" 1
1105 1 16 LEU QB 1 101 LEU HG . . 3.950 3.007 2.119 3.434 . 0 0 "[ . 1 . 2]" 1
1106 1 16 LEU QD 1 17 VAL H . . 3.990 2.830 2.487 3.746 . 0 0 "[ . 1 . 2]" 1
1107 1 16 LEU QD 1 101 LEU HG . . 4.070 2.719 2.090 3.760 . 0 0 "[ . 1 . 2]" 1
1108 1 16 LEU QD 1 103 ARG H . . 4.270 3.948 3.716 4.217 . 0 0 "[ . 1 . 2]" 1
1109 1 16 LEU QD 1 103 ARG HA . . 3.520 2.140 1.908 2.865 . 0 0 "[ . 1 . 2]" 1
1110 1 16 LEU QD 1 103 ARG QB . . 3.380 2.916 1.879 3.381 0.001 5 0 "[ . 1 . 2]" 1
1111 1 16 LEU QD 1 103 ARG QG . . 3.380 2.238 1.761 3.349 . 0 0 "[ . 1 . 2]" 1
1112 1 16 LEU QD 1 103 ARG QD . . 4.110 3.342 1.808 3.960 . 0 0 "[ . 1 . 2]" 1
1113 1 16 LEU QD 1 104 PRO HB3 . . 5.440 5.079 4.710 5.458 0.018 18 0 "[ . 1 . 2]" 1
1114 1 16 LEU QD 1 104 PRO QG . . 4.360 3.542 3.184 3.976 . 0 0 "[ . 1 . 2]" 1
1115 1 16 LEU QD 1 104 PRO QD . . 3.870 2.309 1.942 3.039 . 0 0 "[ . 1 . 2]" 1
1116 1 17 VAL H 1 17 VAL QG . . 3.430 2.398 1.948 2.756 . 0 0 "[ . 1 . 2]" 1
1117 1 17 VAL QG 1 18 LEU H . . 3.340 2.246 1.912 2.653 . 0 0 "[ . 1 . 2]" 1
1118 1 17 VAL QG 1 18 LEU HA . . 4.510 3.600 3.262 3.887 . 0 0 "[ . 1 . 2]" 1
1119 1 17 VAL QG 1 19 ILE QG . . 3.480 3.112 2.831 3.441 . 0 0 "[ . 1 . 2]" 1
1120 1 17 VAL QG 1 19 ILE MD . . 3.200 2.603 2.156 3.162 . 0 0 "[ . 1 . 2]" 1
1121 1 17 VAL QG 1 59 PRO QB . . 3.540 3.016 2.733 3.488 . 0 0 "[ . 1 . 2]" 1
1122 1 17 VAL QG 1 59 PRO QG . . 2.860 1.948 1.761 2.169 . 0 0 "[ . 1 . 2]" 1
1123 1 17 VAL QG 1 59 PRO QD . . 4.420 3.208 2.887 3.509 . 0 0 "[ . 1 . 2]" 1
1124 1 17 VAL QG 1 103 ARG HA . . 4.510 3.914 2.802 4.465 . 0 0 "[ . 1 . 2]" 1
1125 1 17 VAL QG 1 104 PRO HB2 . . 4.540 3.767 3.348 4.360 . 0 0 "[ . 1 . 2]" 1
1126 1 17 VAL QG 1 104 PRO HB3 . . 4.390 2.351 2.036 3.091 . 0 0 "[ . 1 . 2]" 1
1127 1 17 VAL QG 1 104 PRO QG . . 3.350 3.048 1.898 3.368 0.018 19 0 "[ . 1 . 2]" 1
1128 1 17 VAL QG 1 104 PRO QD . . 3.360 2.512 1.962 2.915 . 0 0 "[ . 1 . 2]" 1
1129 1 18 LEU H 1 18 LEU QB . . 3.280 2.376 2.288 2.492 . 0 0 "[ . 1 . 2]" 1
1130 1 18 LEU QB 1 18 LEU MD2 . . 3.240 2.001 1.932 2.063 . 0 0 "[ . 1 . 2]" 1
1131 1 18 LEU MD1 1 99 MET QB . . 3.540 2.487 1.984 3.566 0.026 19 0 "[ . 1 . 2]" 1
1132 1 18 LEU MD1 1 99 MET QG . . 3.730 2.554 1.743 2.944 . 0 0 "[ . 1 . 2]" 1
1133 1 19 ILE HB 1 61 LEU QD . . 4.870 3.583 3.250 3.913 . 0 0 "[ . 1 . 2]" 1
1134 1 19 ILE MG 1 21 MET QG . . 4.510 3.535 2.809 4.074 . 0 0 "[ . 1 . 2]" 1
1135 1 19 ILE MG 1 57 CYS QB . . 4.340 3.829 3.543 4.167 . 0 0 "[ . 1 . 2]" 1
1136 1 19 ILE MG 1 61 LEU QD . . 3.370 2.358 1.948 2.637 . 0 0 "[ . 1 . 2]" 1
1137 1 19 ILE QG 1 61 LEU QD . . 3.530 2.158 1.899 2.439 . 0 0 "[ . 1 . 2]" 1
1138 1 19 ILE MD 1 59 PRO QB . . 3.720 3.244 2.444 3.453 . 0 0 "[ . 1 . 2]" 1
1139 1 19 ILE MD 1 61 LEU QD . . 3.000 2.161 1.904 2.427 . 0 0 "[ . 1 . 2]" 1
1140 1 20 ARG H 1 20 ARG QB . . 3.520 2.492 2.357 2.701 . 0 0 "[ . 1 . 2]" 1
1141 1 20 ARG H 1 20 ARG QG . . 4.040 3.238 2.634 4.047 0.007 15 0 "[ . 1 . 2]" 1
1142 1 20 ARG HA 1 99 MET QG . . 4.590 3.514 2.739 4.535 . 0 0 "[ . 1 . 2]" 1
1143 1 20 ARG QB 1 20 ARG QD . . 3.230 2.229 2.099 2.540 . 0 0 "[ . 1 . 2]" 1
1144 1 20 ARG QB 1 21 MET H . . 4.120 3.295 3.064 3.764 . 0 0 "[ . 1 . 2]" 1
1145 1 20 ARG QG 1 21 MET H . . 4.480 3.898 3.028 4.455 . 0 0 "[ . 1 . 2]" 1
1146 1 20 ARG QG 1 99 MET QG . . 3.660 2.531 2.028 3.526 . 0 0 "[ . 1 . 2]" 1
1147 1 21 MET H 1 21 MET QG . . 4.030 2.838 2.413 3.160 . 0 0 "[ . 1 . 2]" 1
1148 1 21 MET HB2 1 53 PRO QB . . 4.150 2.864 2.202 3.314 . 0 0 "[ . 1 . 2]" 1
1149 1 21 MET QG 1 29 PHE QD . . 3.950 2.792 2.270 3.463 . 0 0 "[ . 1 . 2]" 1
1150 1 21 MET QG 1 29 PHE QE . . 4.560 2.502 1.995 3.714 . 0 0 "[ . 1 . 2]" 1
1151 1 21 MET QG 1 54 ALA MB . . 5.090 3.848 3.205 4.522 . 0 0 "[ . 1 . 2]" 1
1152 1 21 MET QG 1 98 LEU QB . . 4.260 2.725 2.131 3.589 . 0 0 "[ . 1 . 2]" 1
1153 1 21 MET QG 1 98 LEU QD . . 4.110 3.199 2.124 3.926 . 0 0 "[ . 1 . 2]" 1
1154 1 21 MET ME 1 29 PHE QB . . 4.380 3.665 2.735 4.324 . 0 0 "[ . 1 . 2]" 1
1155 1 21 MET ME 1 61 LEU QD . . 2.840 2.442 1.958 2.763 . 0 0 "[ . 1 . 2]" 1
1156 1 21 MET ME 1 98 LEU QD . . 3.220 2.964 2.226 3.220 . 0 0 "[ . 1 . 2]" 1
1157 1 22 LYS H 1 22 LYS QB . . 3.500 2.865 2.368 3.120 . 0 0 "[ . 1 . 2]" 1
1158 1 22 LYS H 1 22 LYS QD . . 4.830 3.622 1.883 4.449 . 0 0 "[ . 1 . 2]" 1
1159 1 22 LYS HA 1 22 LYS QG . . 3.620 3.238 2.467 3.439 . 0 0 "[ . 1 . 2]" 1
1160 1 22 LYS HA 1 22 LYS QD . . 4.640 4.077 3.578 4.460 . 0 0 "[ . 1 . 2]" 1
1161 1 22 LYS QB 1 22 LYS QD . . 3.260 2.189 2.044 2.387 . 0 0 "[ . 1 . 2]" 1
1162 1 22 LYS QB 1 22 LYS QE . . 4.020 2.878 2.065 3.650 . 0 0 "[ . 1 . 2]" 1
1163 1 22 LYS QB 1 23 PRO QD . . 3.410 2.056 1.955 2.251 . 0 0 "[ . 1 . 2]" 1
1164 1 22 LYS QG 1 23 PRO QD . . 4.630 3.610 2.893 4.002 . 0 0 "[ . 1 . 2]" 1
1165 1 23 PRO HA 1 53 PRO QG . . 4.050 3.657 2.996 4.010 . 0 0 "[ . 1 . 2]" 1
1166 1 23 PRO HB3 1 27 GLY QA . . 4.040 3.182 2.765 3.315 . 0 0 "[ . 1 . 2]" 1
1167 1 23 PRO QG 1 27 GLY QA . . 4.680 3.727 3.517 3.943 . 0 0 "[ . 1 . 2]" 1
1168 1 23 PRO QD 1 29 PHE QE . . 4.250 3.525 2.098 4.127 . 0 0 "[ . 1 . 2]" 1
1169 1 24 ASP H 1 53 PRO QG . . 4.680 3.060 2.422 4.019 . 0 0 "[ . 1 . 2]" 1
1170 1 24 ASP QB 1 25 GLU H . . 3.620 2.509 1.915 3.154 . 0 0 "[ . 1 . 2]" 1
1171 1 24 ASP QB 1 53 PRO QG . . 5.180 2.918 1.988 4.642 . 0 0 "[ . 1 . 2]" 1
1172 1 26 ASN H 1 26 ASN QB . . 3.410 2.354 2.177 2.648 . 0 0 "[ . 1 . 2]" 1
1173 1 26 ASN QB 1 28 ARG QG . . 3.990 2.771 2.221 3.652 . 0 0 "[ . 1 . 2]" 1
1174 1 26 ASN QB 1 28 ARG QD . . 4.140 3.184 1.896 4.112 . 0 0 "[ . 1 . 2]" 1
1175 1 28 ARG H 1 28 ARG QB . . 3.460 2.825 2.369 3.136 . 0 0 "[ . 1 . 2]" 1
1176 1 28 ARG HA 1 28 ARG QD . . 4.630 4.145 2.346 4.519 . 0 0 "[ . 1 . 2]" 1
1177 1 28 ARG QB 1 28 ARG QD . . 3.250 2.224 2.108 2.356 . 0 0 "[ . 1 . 2]" 1
1178 1 29 PHE HA 1 53 PRO QB . . 4.500 4.286 4.059 4.492 . 0 0 "[ . 1 . 2]" 1
1179 1 29 PHE HA 1 53 PRO QG . . 4.170 2.409 2.187 2.674 . 0 0 "[ . 1 . 2]" 1
1180 1 29 PHE QB 1 31 PHE QD . . 3.830 2.220 1.949 2.436 . 0 0 "[ . 1 . 2]" 1
1181 1 29 PHE QB 1 31 PHE QE . . 4.160 2.436 1.958 2.856 . 0 0 "[ . 1 . 2]" 1
1182 1 29 PHE QD 1 98 LEU QD . . 4.500 3.534 2.733 4.098 . 0 0 "[ . 1 . 2]" 1
1183 1 29 PHE QE 1 98 LEU QD . . 4.500 2.608 2.047 3.055 . 0 0 "[ . 1 . 2]" 1
1184 1 30 GLY QA 1 49 ALA MB . . 3.770 3.565 3.035 3.776 0.006 20 0 "[ . 1 . 2]" 1
1185 1 30 GLY QA 1 52 THR HB . . 3.540 2.129 1.996 2.415 . 0 0 "[ . 1 . 2]" 1
1186 1 30 GLY QA 1 52 THR HG1 . . 4.320 3.299 2.419 4.257 . 0 0 "[ . 1 . 2]" 1
1187 1 30 GLY QA 1 54 ALA MB . . 4.300 3.159 2.805 3.591 . 0 0 "[ . 1 . 2]" 1
1188 1 31 PHE H 1 48 VAL QG . . 5.330 4.518 4.235 5.022 . 0 0 "[ . 1 . 2]" 1
1189 1 31 PHE H 1 61 LEU QD . . 5.440 4.982 4.740 5.314 . 0 0 "[ . 1 . 2]" 1
1190 1 31 PHE HA 1 48 VAL QG . . 3.960 2.659 2.335 3.082 . 0 0 "[ . 1 . 2]" 1
1191 1 31 PHE QB 1 32 ASN H . . 3.650 3.156 2.754 3.340 . 0 0 "[ . 1 . 2]" 1
1192 1 31 PHE QB 1 45 VAL MG1 . . 3.640 2.772 2.516 2.990 . 0 0 "[ . 1 . 2]" 1
1193 1 31 PHE QB 1 48 VAL HA . . 4.100 3.891 3.413 4.096 . 0 0 "[ . 1 . 2]" 1
1194 1 31 PHE QB 1 48 VAL QG . . 3.370 2.506 2.099 2.820 . 0 0 "[ . 1 . 2]" 1
1195 1 31 PHE QB 1 54 ALA MB . . 3.510 2.318 2.111 2.561 . 0 0 "[ . 1 . 2]" 1
1196 1 31 PHE QB 1 61 LEU QD . . 3.950 2.034 1.793 2.442 . 0 0 "[ . 1 . 2]" 1
1197 1 31 PHE QD 1 48 VAL QG . . 4.390 4.055 3.606 4.364 . 0 0 "[ . 1 . 2]" 1
1198 1 31 PHE QD 1 61 LEU QD . . 3.940 2.804 2.436 3.124 . 0 0 "[ . 1 . 2]" 1
1199 1 31 PHE QE 1 98 LEU QD . . 3.680 3.233 2.345 3.680 . 0 0 "[ . 1 . 2]" 1
1200 1 31 PHE HZ 1 98 LEU QD . . 4.500 3.314 2.699 3.810 . 0 0 "[ . 1 . 2]" 1
1201 1 32 ASN H 1 32 ASN QB . . 3.650 2.354 2.249 2.537 . 0 0 "[ . 1 . 2]" 1
1202 1 32 ASN QB 1 33 VAL H . . 3.750 2.795 2.309 3.545 . 0 0 "[ . 1 . 2]" 1
1203 1 32 ASN QB 1 47 ARG H . . 3.990 2.154 1.888 2.511 . 0 0 "[ . 1 . 2]" 1
1204 1 32 ASN QB 1 47 ARG HB2 . . 4.140 3.950 3.600 4.123 . 0 0 "[ . 1 . 2]" 1
1205 1 32 ASN QB 1 47 ARG HB3 . . 3.830 3.119 2.913 3.479 . 0 0 "[ . 1 . 2]" 1
1206 1 34 LYS QB 1 34 LYS QD . . 3.270 2.111 2.058 2.183 . 0 0 "[ . 1 . 2]" 1
1207 1 34 LYS QB 1 35 GLY H . . 3.610 2.766 2.269 3.287 . 0 0 "[ . 1 . 2]" 1
1208 1 34 LYS QB 1 35 GLY HA2 . . 5.150 4.266 4.063 4.438 . 0 0 "[ . 1 . 2]" 1
1209 1 34 LYS QB 1 35 GLY HA3 . . 5.030 4.340 4.106 4.560 . 0 0 "[ . 1 . 2]" 1
1210 1 34 LYS QB 1 46 SER QB . . 4.090 2.496 2.190 2.903 . 0 0 "[ . 1 . 2]" 1
1211 1 34 LYS QG 1 46 SER QB . . 3.980 2.864 2.003 3.818 . 0 0 "[ . 1 . 2]" 1
1212 1 34 LYS QD 1 46 SER QB . . 3.760 2.861 2.337 3.592 . 0 0 "[ . 1 . 2]" 1
1213 1 34 LYS QE 1 44 ILE MG . . 3.750 3.288 2.923 3.743 . 0 0 "[ . 1 . 2]" 1
1214 1 34 LYS QE 1 44 ILE MD . . 5.040 4.088 3.577 4.999 . 0 0 "[ . 1 . 2]" 1
1215 1 35 GLY HA2 1 39 GLN QB . . 4.480 2.946 2.510 3.421 . 0 0 "[ . 1 . 2]" 1
1216 1 35 GLY HA2 1 39 GLN QG . . 4.610 3.908 3.013 4.601 . 0 0 "[ . 1 . 2]" 1
1217 1 36 GLY QA 1 43 VAL MG2 . . 3.390 2.438 2.041 2.933 . 0 0 "[ . 1 . 2]" 1
1218 1 36 GLY QA 1 80 HIS H . . 4.170 2.937 2.267 3.624 . 0 0 "[ . 1 . 2]" 1
1219 1 36 GLY QA 1 80 HIS HA . . 4.560 3.468 2.857 4.121 . 0 0 "[ . 1 . 2]" 1
1220 1 37 TYR QB 1 77 GLU HA . . 4.070 2.891 2.137 3.746 . 0 0 "[ . 1 . 2]" 1
1221 1 37 TYR QB 1 79 THR HA . . 4.170 2.960 2.277 3.761 . 0 0 "[ . 1 . 2]" 1
1222 1 37 TYR QB 1 79 THR MG . . 3.850 2.723 2.017 3.110 . 0 0 "[ . 1 . 2]" 1
1223 1 38 ASP QB 1 79 THR MG . . 3.410 2.518 1.968 3.261 . 0 0 "[ . 1 . 2]" 1
1224 1 39 GLN H 1 39 GLN QB . . 3.590 2.343 2.253 2.454 . 0 0 "[ . 1 . 2]" 1
1225 1 39 GLN HA 1 39 GLN QG . . 3.210 2.443 2.123 2.721 . 0 0 "[ . 1 . 2]" 1
1226 1 39 GLN QB 1 41 MET H . . 4.310 3.276 2.931 3.502 . 0 0 "[ . 1 . 2]" 1
1227 1 39 GLN QB 1 41 MET HG3 . . 4.040 3.648 3.441 3.946 . 0 0 "[ . 1 . 2]" 1
1228 1 40 LYS H 1 40 LYS QG . . 3.650 2.836 2.235 3.296 . 0 0 "[ . 1 . 2]" 1
1229 1 40 LYS HA 1 40 LYS QG . . 3.600 2.479 2.179 3.434 . 0 0 "[ . 1 . 2]" 1
1230 1 40 LYS HA 1 40 LYS QD . . 3.930 2.982 2.000 3.941 0.011 16 0 "[ . 1 . 2]" 1
1231 1 40 LYS QB 1 40 LYS QE . . 4.310 3.084 1.995 3.791 . 0 0 "[ . 1 . 2]" 1
1232 1 42 PRO HB2 1 44 ILE QG . . 4.540 3.414 3.320 3.652 . 0 0 "[ . 1 . 2]" 1
1233 1 42 PRO HB2 1 66 GLN QG . . 4.180 2.205 1.960 2.836 . 0 0 "[ . 1 . 2]" 1
1234 1 42 PRO HB2 1 66 GLN QE . . 4.510 3.236 1.978 3.986 . 0 0 "[ . 1 . 2]" 1
1235 1 42 PRO HB3 1 66 GLN QG . . 4.580 3.400 3.038 3.989 . 0 0 "[ . 1 . 2]" 1
1236 1 42 PRO HB3 1 66 GLN QE . . 4.130 3.012 2.018 3.862 . 0 0 "[ . 1 . 2]" 1
1237 1 42 PRO HG2 1 44 ILE QG . . 4.330 3.500 2.562 3.858 . 0 0 "[ . 1 . 2]" 1
1238 1 43 VAL H 1 66 GLN QG . . 4.290 3.546 3.110 4.146 . 0 0 "[ . 1 . 2]" 1
1239 1 44 ILE H 1 44 ILE QG . . 4.030 3.317 2.358 3.562 . 0 0 "[ . 1 . 2]" 1
1240 1 44 ILE MG 1 63 GLU QB . . 4.620 4.241 3.766 4.581 . 0 0 "[ . 1 . 2]" 1
1241 1 44 ILE MG 1 64 GLY QA . . 3.120 2.156 1.945 2.412 . 0 0 "[ . 1 . 2]" 1
1242 1 44 ILE MG 1 66 GLN QG . . 5.030 4.365 3.963 4.709 . 0 0 "[ . 1 . 2]" 1
1243 1 44 ILE MD 1 64 GLY QA . . 5.340 4.996 3.901 5.341 0.001 14 0 "[ . 1 . 2]" 1
1244 1 44 ILE MD 1 66 GLN QB . . 3.500 3.127 2.142 3.503 0.003 11 0 "[ . 1 . 2]" 1
1245 1 44 ILE MD 1 66 GLN QG . . 3.660 2.439 1.918 2.940 . 0 0 "[ . 1 . 2]" 1
1246 1 45 VAL HB 1 48 VAL QG . . 4.500 3.907 3.589 4.230 . 0 0 "[ . 1 . 2]" 1
1247 1 45 VAL MG1 1 48 VAL QG . . 2.810 1.953 1.697 2.205 . 0 0 "[ . 1 . 2]" 1
1248 1 45 VAL MG1 1 61 LEU QD . . 3.360 3.046 2.611 3.361 0.001 7 0 "[ . 1 . 2]" 1
1249 1 45 VAL MG1 1 63 GLU QB . . 5.090 3.624 2.490 4.151 . 0 0 "[ . 1 . 2]" 1
1250 1 45 VAL MG1 1 63 GLU QG . . 3.960 2.609 1.959 3.938 . 0 0 "[ . 1 . 2]" 1
1251 1 45 VAL MG2 1 61 LEU QD . . 2.790 2.199 1.788 2.507 . 0 0 "[ . 1 . 2]" 1
1252 1 47 ARG H 1 47 ARG QG . . 4.690 4.238 4.146 4.323 . 0 0 "[ . 1 . 2]" 1
1253 1 47 ARG H 1 48 VAL QG . . 4.540 3.827 3.675 4.252 . 0 0 "[ . 1 . 2]" 1
1254 1 47 ARG HA 1 47 ARG QG . . 3.480 2.574 2.157 2.928 . 0 0 "[ . 1 . 2]" 1
1255 1 47 ARG HA 1 48 VAL QG . . 4.600 3.358 3.134 3.583 . 0 0 "[ . 1 . 2]" 1
1256 1 47 ARG HA 1 63 GLU QG . . 3.560 2.604 2.170 3.415 . 0 0 "[ . 1 . 2]" 1
1257 1 47 ARG QG 1 48 VAL H . . 3.770 2.043 1.844 2.697 . 0 0 "[ . 1 . 2]" 1
1258 1 47 ARG QD 1 48 VAL H . . 4.040 2.930 1.889 3.894 . 0 0 "[ . 1 . 2]" 1
1259 1 48 VAL H 1 48 VAL QG . . 3.670 2.817 2.678 2.938 . 0 0 "[ . 1 . 2]" 1
1260 1 48 VAL H 1 63 GLU QG . . 3.750 3.494 3.167 3.692 . 0 0 "[ . 1 . 2]" 1
1261 1 48 VAL QG 1 49 ALA H . . 3.660 2.691 1.978 3.005 . 0 0 "[ . 1 . 2]" 1
1262 1 48 VAL QG 1 49 ALA MB . . 4.530 3.864 3.656 3.996 . 0 0 "[ . 1 . 2]" 1
1263 1 48 VAL QG 1 52 THR HG1 . . 4.350 3.161 2.526 3.719 . 0 0 "[ . 1 . 2]" 1
1264 1 48 VAL QG 1 54 ALA HA . . 5.400 4.975 4.809 5.221 . 0 0 "[ . 1 . 2]" 1
1265 1 48 VAL QG 1 54 ALA MB . . 3.040 2.880 2.651 3.051 0.011 20 0 "[ . 1 . 2]" 1
1266 1 48 VAL QG 1 55 ASP H . . 4.120 3.987 3.791 4.119 . 0 0 "[ . 1 . 2]" 1
1267 1 48 VAL QG 1 55 ASP HA . . 3.470 3.314 2.949 3.473 0.003 14 0 "[ . 1 . 2]" 1
1268 1 48 VAL QG 1 55 ASP QB . . 3.450 2.536 2.304 2.727 . 0 0 "[ . 1 . 2]" 1
1269 1 48 VAL QG 1 60 ARG HE . . 4.710 4.085 3.480 4.707 . 0 0 "[ . 1 . 2]" 1
1270 1 48 VAL QG 1 61 LEU H . . 5.440 4.319 3.985 4.481 . 0 0 "[ . 1 . 2]" 1
1271 1 48 VAL QG 1 61 LEU HB3 . . 3.670 3.157 2.860 3.606 . 0 0 "[ . 1 . 2]" 1
1272 1 48 VAL QG 1 61 LEU HG . . 3.950 3.243 2.936 3.590 . 0 0 "[ . 1 . 2]" 1
1273 1 48 VAL QG 1 61 LEU QD . . 3.480 2.942 2.391 3.274 . 0 0 "[ . 1 . 2]" 1
1274 1 48 VAL QG 1 62 ASN HA . . 3.830 2.751 2.072 3.496 . 0 0 "[ . 1 . 2]" 1
1275 1 48 VAL QG 1 63 GLU H . . 3.900 3.146 2.329 3.753 . 0 0 "[ . 1 . 2]" 1
1276 1 48 VAL QG 1 63 GLU HA . . 4.440 3.445 2.814 3.803 . 0 0 "[ . 1 . 2]" 1
1277 1 48 VAL QG 1 63 GLU QG . . 3.510 2.697 2.463 3.392 . 0 0 "[ . 1 . 2]" 1
1278 1 49 ALA HA 1 50 PRO QD . . 2.860 2.042 2.006 2.079 . 0 0 "[ . 1 . 2]" 1
1279 1 49 ALA MB 1 50 PRO QD . . 3.150 2.223 2.024 2.420 . 0 0 "[ . 1 . 2]" 1
1280 1 50 PRO HA 1 51 GLY QA . . 4.240 4.085 4.034 4.180 . 0 0 "[ . 1 . 2]" 1
1281 1 50 PRO QB 1 51 GLY H . . 3.870 2.462 2.019 2.706 . 0 0 "[ . 1 . 2]" 1
1282 1 50 PRO QB 1 51 GLY QA . . 4.780 3.520 3.408 3.590 . 0 0 "[ . 1 . 2]" 1
1283 1 51 GLY H 1 55 ASP QB . . 3.980 3.867 3.508 3.985 0.005 14 0 "[ . 1 . 2]" 1
1284 1 51 GLY QA 1 52 THR MG . . 4.680 3.797 3.633 3.984 . 0 0 "[ . 1 . 2]" 1
1285 1 51 GLY QA 1 56 LEU HG . . 4.430 3.633 3.039 4.037 . 0 0 "[ . 1 . 2]" 1
1286 1 51 GLY QA 1 56 LEU MD1 . . 3.660 2.697 2.409 2.931 . 0 0 "[ . 1 . 2]" 1
1287 1 51 GLY QA 1 56 LEU MD2 . . 3.710 3.214 2.298 3.687 . 0 0 "[ . 1 . 2]" 1
1288 1 52 THR HA 1 53 PRO QD . . 3.290 2.091 2.072 2.118 . 0 0 "[ . 1 . 2]" 1
1289 1 53 PRO QB 1 54 ALA H . . 3.880 3.706 3.610 3.739 . 0 0 "[ . 1 . 2]" 1
1290 1 53 PRO QD 1 54 ALA H . . 4.590 2.928 2.804 2.975 . 0 0 "[ . 1 . 2]" 1
1291 1 54 ALA H 1 55 ASP QB . . 5.190 3.875 3.788 4.008 . 0 0 "[ . 1 . 2]" 1
1292 1 54 ALA HA 1 57 CYS QB . . 5.000 3.548 3.019 4.030 . 0 0 "[ . 1 . 2]" 1
1293 1 54 ALA MB 1 61 LEU QD . . 3.370 2.369 2.044 2.796 . 0 0 "[ . 1 . 2]" 1
1294 1 55 ASP HA 1 60 ARG QG . . 4.010 2.354 1.887 3.318 . 0 0 "[ . 1 . 2]" 1
1295 1 55 ASP QB 1 56 LEU H . . 3.830 2.436 2.027 3.246 . 0 0 "[ . 1 . 2]" 1
1296 1 55 ASP QB 1 56 LEU MD2 . . 4.560 3.751 3.379 3.999 . 0 0 "[ . 1 . 2]" 1
1297 1 57 CYS H 1 57 CYS QB . . 3.310 2.410 2.277 2.656 . 0 0 "[ . 1 . 2]" 1
1298 1 57 CYS HA 1 58 VAL QG . . 4.010 3.437 3.264 3.760 . 0 0 "[ . 1 . 2]" 1
1299 1 57 CYS QB 1 58 VAL H . . 3.320 2.527 2.253 3.003 . 0 0 "[ . 1 . 2]" 1
1300 1 57 CYS QB 1 58 VAL HA . . 5.340 4.456 4.221 4.615 . 0 0 "[ . 1 . 2]" 1
1301 1 58 VAL H 1 58 VAL QG . . 3.360 2.605 1.909 2.980 . 0 0 "[ . 1 . 2]" 1
1302 1 58 VAL HA 1 58 VAL QG . . 3.020 2.197 2.049 2.416 . 0 0 "[ . 1 . 2]" 1
1303 1 58 VAL HA 1 59 PRO QB . . 3.970 3.780 3.746 3.820 . 0 0 "[ . 1 . 2]" 1
1304 1 58 VAL QG 1 59 PRO HA . . 3.390 1.948 1.811 2.165 . 0 0 "[ . 1 . 2]" 1
1305 1 58 VAL QG 1 59 PRO QB . . 4.140 3.076 2.873 3.292 . 0 0 "[ . 1 . 2]" 1
1306 1 58 VAL QG 1 59 PRO QG . . 5.020 3.988 3.812 4.191 . 0 0 "[ . 1 . 2]" 1
1307 1 58 VAL QG 1 59 PRO QD . . 4.200 3.003 2.834 3.238 . 0 0 "[ . 1 . 2]" 1
1308 1 58 VAL QG 1 60 ARG H . . 4.360 3.301 2.810 3.886 . 0 0 "[ . 1 . 2]" 1
1309 1 59 PRO QB 1 60 ARG H . . 3.670 2.918 2.280 3.250 . 0 0 "[ . 1 . 2]" 1
1310 1 60 ARG H 1 60 ARG QB . . 3.040 2.239 2.167 2.327 . 0 0 "[ . 1 . 2]" 1
1311 1 60 ARG H 1 60 ARG QG . . 4.100 3.883 2.597 3.992 . 0 0 "[ . 1 . 2]" 1
1312 1 60 ARG HA 1 60 ARG QG . . 3.590 2.620 2.345 3.276 . 0 0 "[ . 1 . 2]" 1
1313 1 60 ARG QB 1 61 LEU H . . 3.870 3.669 2.520 3.874 0.004 13 0 "[ . 1 . 2]" 1
1314 1 61 LEU H 1 61 LEU QD . . 4.410 3.680 3.527 3.821 . 0 0 "[ . 1 . 2]" 1
1315 1 61 LEU HA 1 61 LEU QD . . 3.270 2.145 2.000 2.430 . 0 0 "[ . 1 . 2]" 1
1316 1 61 LEU QD 1 62 ASN H . . 3.630 3.384 2.780 3.630 . 0 0 "[ . 1 . 2]" 1
1317 1 61 LEU QD 1 65 ASP HB2 . . 4.200 2.661 2.214 3.393 . 0 0 "[ . 1 . 2]" 1
1318 1 61 LEU QD 1 65 ASP HB3 . . 4.380 2.928 2.493 3.645 . 0 0 "[ . 1 . 2]" 1
1319 1 61 LEU QD 1 67 VAL MG2 . . 4.560 3.519 3.167 3.809 . 0 0 "[ . 1 . 2]" 1
1320 1 61 LEU QD 1 100 LEU HB2 . . 4.830 3.663 2.958 4.102 . 0 0 "[ . 1 . 2]" 1
1321 1 61 LEU QD 1 100 LEU MD1 . . 3.060 2.492 1.847 2.834 . 0 0 "[ . 1 . 2]" 1
1322 1 61 LEU QD 1 102 VAL HB . . 4.640 4.305 3.838 4.635 . 0 0 "[ . 1 . 2]" 1
1323 1 61 LEU QD 1 102 VAL MG1 . . 4.710 2.540 2.291 2.815 . 0 0 "[ . 1 . 2]" 1
1324 1 62 ASN H 1 62 ASN QB . . 3.410 2.748 2.193 3.223 . 0 0 "[ . 1 . 2]" 1
1325 1 62 ASN H 1 62 ASN QD . . 4.000 3.296 1.961 4.005 0.005 20 0 "[ . 1 . 2]" 1
1326 1 62 ASN QB 1 63 GLU H . . 3.600 2.609 2.273 3.470 . 0 0 "[ . 1 . 2]" 1
1327 1 63 GLU H 1 63 GLU QB . . 3.330 2.495 2.299 2.649 . 0 0 "[ . 1 . 2]" 1
1328 1 63 GLU H 1 63 GLU QG . . 3.450 2.425 1.887 3.201 . 0 0 "[ . 1 . 2]" 1
1329 1 63 GLU QB 1 64 GLY H . . 4.240 2.842 2.521 3.214 . 0 0 "[ . 1 . 2]" 1
1330 1 66 GLN QB 1 103 ARG H . . 4.390 3.355 2.667 3.671 . 0 0 "[ . 1 . 2]" 1
1331 1 66 GLN QB 1 103 ARG QB . . 4.380 3.065 2.115 4.346 . 0 0 "[ . 1 . 2]" 1
1332 1 66 GLN QG 1 67 VAL H . . 3.820 2.893 2.111 3.303 . 0 0 "[ . 1 . 2]" 1
1333 1 66 GLN QG 1 68 VAL QG . . 3.740 3.091 2.617 3.748 0.008 14 0 "[ . 1 . 2]" 1
1334 1 66 GLN QE 1 68 VAL QG . . 4.320 2.826 1.847 3.953 . 0 0 "[ . 1 . 2]" 1
1335 1 67 VAL HA 1 68 VAL QG . . 4.100 3.694 3.525 3.847 . 0 0 "[ . 1 . 2]" 1
1336 1 67 VAL MG1 1 70 ILE QG . . 3.610 2.166 1.806 2.972 . 0 0 "[ . 1 . 2]" 1
1337 1 68 VAL H 1 68 VAL QG . . 3.390 2.404 2.082 2.643 . 0 0 "[ . 1 . 2]" 1
1338 1 68 VAL QG 1 69 LEU H . . 3.650 3.196 3.061 3.331 . 0 0 "[ . 1 . 2]" 1
1339 1 68 VAL QG 1 69 LEU HA . . 4.730 4.004 3.852 4.123 . 0 0 "[ . 1 . 2]" 1
1340 1 68 VAL QG 1 69 LEU HG . . 3.510 2.077 1.977 2.218 . 0 0 "[ . 1 . 2]" 1
1341 1 68 VAL QG 1 102 VAL HA . . 3.800 2.927 2.468 3.290 . 0 0 "[ . 1 . 2]" 1
1342 1 68 VAL QG 1 103 ARG H . . 3.870 3.122 2.314 3.864 . 0 0 "[ . 1 . 2]" 1
1343 1 68 VAL QG 1 103 ARG HA . . 4.790 3.852 3.267 4.468 . 0 0 "[ . 1 . 2]" 1
1344 1 68 VAL QG 1 103 ARG QB . . 3.340 2.613 1.824 3.137 . 0 0 "[ . 1 . 2]" 1
1345 1 68 VAL QG 1 103 ARG QG . . 4.750 3.369 1.946 4.704 . 0 0 "[ . 1 . 2]" 1
1346 1 68 VAL QG 1 103 ARG QD . . 5.280 3.615 2.495 4.819 . 0 0 "[ . 1 . 2]" 1
1347 1 69 LEU H 1 101 LEU QB . . 3.550 2.353 1.973 2.754 . 0 0 "[ . 1 . 2]" 1
1348 1 69 LEU HA 1 75 ILE QG . . 4.580 2.722 2.073 3.610 . 0 0 "[ . 1 . 2]" 1
1349 1 69 LEU QB 1 70 ILE H . . 3.680 2.801 2.243 3.099 . 0 0 "[ . 1 . 2]" 1
1350 1 69 LEU QB 1 73 ARG H . . 4.500 2.879 2.325 4.260 . 0 0 "[ . 1 . 2]" 1
1351 1 69 LEU QB 1 101 LEU H . . 4.600 3.948 3.613 4.360 . 0 0 "[ . 1 . 2]" 1
1352 1 69 LEU QB 1 101 LEU QB . . 3.930 2.472 2.201 2.912 . 0 0 "[ . 1 . 2]" 1
1353 1 69 LEU HG 1 101 LEU QB . . 4.250 3.938 3.674 4.244 . 0 0 "[ . 1 . 2]" 1
1354 1 69 LEU MD1 1 101 LEU QB . . 4.020 3.571 3.186 3.804 . 0 0 "[ . 1 . 2]" 1
1355 1 69 LEU MD2 1 74 ASP QB . . 3.480 3.055 1.871 3.479 . 0 0 "[ . 1 . 2]" 1
1356 1 69 LEU MD2 1 75 ILE QG . . 4.990 3.335 2.623 4.206 . 0 0 "[ . 1 . 2]" 1
1357 1 70 ILE H 1 70 ILE QG . . 4.540 2.740 2.336 3.123 . 0 0 "[ . 1 . 2]" 1
1358 1 70 ILE HA 1 70 ILE QG . . 3.350 2.416 2.261 2.859 . 0 0 "[ . 1 . 2]" 1
1359 1 70 ILE QG 1 70 ILE MG . . 2.880 2.235 2.112 2.435 . 0 0 "[ . 1 . 2]" 1
1360 1 70 ILE MG 1 71 ASN QB . . 4.090 2.766 2.313 3.269 . 0 0 "[ . 1 . 2]" 1
1361 1 70 ILE MG 1 71 ASN QD . . 4.050 2.526 1.767 3.855 . 0 0 "[ . 1 . 2]" 1
1362 1 70 ILE MG 1 86 PHE QB . . 4.280 3.841 1.949 4.281 0.001 9 0 "[ . 1 . 2]" 1
1363 1 70 ILE MG 1 87 ILE QG . . 4.270 2.770 2.137 3.424 . 0 0 "[ . 1 . 2]" 1
1364 1 70 ILE MG 1 98 LEU QD . . 3.540 2.932 2.234 3.473 . 0 0 "[ . 1 . 2]" 1
1365 1 70 ILE QG 1 71 ASN H . . 5.030 4.189 3.926 4.694 . 0 0 "[ . 1 . 2]" 1
1366 1 70 ILE QG 1 75 ILE MD . . 3.930 3.263 2.048 3.787 . 0 0 "[ . 1 . 2]" 1
1367 1 70 ILE QG 1 100 LEU MD2 . . 3.990 2.333 1.830 3.862 . 0 0 "[ . 1 . 2]" 1
1368 1 70 ILE MD 1 75 ILE QG . . 4.510 2.400 1.972 3.636 . 0 0 "[ . 1 . 2]" 1
1369 1 70 ILE MD 1 86 PHE QB . . 4.370 3.307 2.423 4.130 . 0 0 "[ . 1 . 2]" 1
1370 1 70 ILE MD 1 87 ILE QG . . 3.880 2.295 2.013 2.739 . 0 0 "[ . 1 . 2]" 1
1371 1 71 ASN H 1 99 MET QB . . 4.680 3.465 2.516 3.994 . 0 0 "[ . 1 . 2]" 1
1372 1 71 ASN HA 1 99 MET QB . . 3.590 2.628 2.327 2.877 . 0 0 "[ . 1 . 2]" 1
1373 1 71 ASN HA 1 99 MET QG . . 4.860 4.606 3.630 4.832 . 0 0 "[ . 1 . 2]" 1
1374 1 71 ASN QD 1 98 LEU QD . . 3.620 2.655 1.912 3.498 . 0 0 "[ . 1 . 2]" 1
1375 1 73 ARG H 1 73 ARG QG . . 4.290 3.477 2.308 4.272 . 0 0 "[ . 1 . 2]" 1
1376 1 73 ARG HA 1 74 ASP QB . . 5.340 4.345 4.062 4.644 . 0 0 "[ . 1 . 2]" 1
1377 1 73 ARG QG 1 74 ASP H . . 4.560 3.491 1.958 4.505 . 0 0 "[ . 1 . 2]" 1
1378 1 73 ARG QD 1 86 PHE HZ . . 4.560 2.722 1.974 4.329 . 0 0 "[ . 1 . 2]" 1
1379 1 77 GLU H 1 77 GLU QB . . 3.670 2.326 2.196 2.680 . 0 0 "[ . 1 . 2]" 1
1380 1 77 GLU HA 1 77 GLU QG . . 3.610 2.646 2.217 3.383 . 0 0 "[ . 1 . 2]" 1
1381 1 78 HIS QB 1 82 GLN QB . . 3.910 2.215 1.795 3.649 . 0 0 "[ . 1 . 2]" 1
1382 1 79 THR H 1 82 GLN QB . . 4.080 2.564 2.010 3.351 . 0 0 "[ . 1 . 2]" 1
1383 1 81 ASP QB 1 82 GLN H . . 3.960 2.384 2.104 2.739 . 0 0 "[ . 1 . 2]" 1
1384 1 82 GLN H 1 82 GLN QB . . 3.510 2.276 2.119 2.452 . 0 0 "[ . 1 . 2]" 1
1385 1 82 GLN HA 1 85 LEU QB . . 3.680 2.786 2.437 3.070 . 0 0 "[ . 1 . 2]" 1
1386 1 82 GLN HA 1 85 LEU QD . . 3.810 3.128 2.545 3.786 . 0 0 "[ . 1 . 2]" 1
1387 1 82 GLN QG 1 85 LEU QD . . 4.860 4.372 3.431 4.870 0.010 9 0 "[ . 1 . 2]" 1
1388 1 83 VAL HA 1 86 PHE QB . . 3.650 2.458 2.211 2.765 . 0 0 "[ . 1 . 2]" 1
1389 1 84 VAL HB 1 85 LEU QD . . 4.750 3.142 2.473 4.391 . 0 0 "[ . 1 . 2]" 1
1390 1 84 VAL MG1 1 88 LYS QG . . 4.540 3.462 2.208 4.511 . 0 0 "[ . 1 . 2]" 1
1391 1 85 LEU H 1 85 LEU QB . . 3.200 2.169 2.144 2.285 . 0 0 "[ . 1 . 2]" 1
1392 1 85 LEU HA 1 85 LEU QD . . 3.010 2.386 1.924 2.834 . 0 0 "[ . 1 . 2]" 1
1393 1 85 LEU HA 1 88 LYS QB . . 3.840 2.640 2.105 3.840 0.000 20 0 "[ . 1 . 2]" 1
1394 1 85 LEU QB 1 85 LEU QD . . 2.770 1.912 1.827 2.073 . 0 0 "[ . 1 . 2]" 1
1395 1 85 LEU QB 1 86 PHE H . . 3.660 2.665 2.479 2.941 . 0 0 "[ . 1 . 2]" 1
1396 1 85 LEU QD 1 88 LYS QB . . 4.310 3.680 2.644 4.287 . 0 0 "[ . 1 . 2]" 1
1397 1 85 LEU QD 1 88 LYS QD . . 5.140 3.385 2.147 4.790 . 0 0 "[ . 1 . 2]" 1
1398 1 85 LEU QD 1 88 LYS QE . . 4.750 3.510 2.344 4.703 . 0 0 "[ . 1 . 2]" 1
1399 1 86 PHE H 1 86 PHE QB . . 3.210 2.193 2.129 2.269 . 0 0 "[ . 1 . 2]" 1
1400 1 87 ILE H 1 87 ILE QG . . 3.570 2.024 1.890 2.747 . 0 0 "[ . 1 . 2]" 1
1401 1 87 ILE HA 1 87 ILE QG . . 3.620 2.472 2.349 2.577 . 0 0 "[ . 1 . 2]" 1
1402 1 87 ILE HA 1 98 LEU QD . . 3.930 3.137 2.289 3.746 . 0 0 "[ . 1 . 2]" 1
1403 1 87 ILE MG 1 98 LEU QD . . 3.460 2.143 1.818 2.587 . 0 0 "[ . 1 . 2]" 1
1404 1 87 ILE MD 1 98 LEU QD . . 4.440 4.005 3.502 4.383 . 0 0 "[ . 1 . 2]" 1
1405 1 88 LYS H 1 88 LYS QG . . 4.050 2.642 2.102 3.808 . 0 0 "[ . 1 . 2]" 1
1406 1 88 LYS QB 1 88 LYS QE . . 3.900 3.004 2.192 3.753 . 0 0 "[ . 1 . 2]" 1
1407 1 88 LYS QB 1 89 ALA H . . 3.970 2.615 2.338 3.515 . 0 0 "[ . 1 . 2]" 1
1408 1 88 LYS QE 1 88 LYS QG . . 3.430 2.241 2.059 2.631 . 0 0 "[ . 1 . 2]" 1
1409 1 90 SER HA 1 93 ARG QG . . 4.260 3.106 2.011 4.250 . 0 0 "[ . 1 . 2]" 1
1410 1 90 SER QB 1 98 LEU QD . . 4.080 2.488 1.833 3.326 . 0 0 "[ . 1 . 2]" 1
1411 1 92 GLU H 1 92 GLU QG . . 4.650 3.324 2.173 4.077 . 0 0 "[ . 1 . 2]" 1
1412 1 92 GLU HA 1 92 GLU QG . . 3.480 2.561 2.202 3.339 . 0 0 "[ . 1 . 2]" 1
1413 1 93 ARG HA 1 93 ARG QG . . 3.570 2.778 2.146 3.435 . 0 0 "[ . 1 . 2]" 1
1414 1 97 GLU H 1 97 GLU QG . . 4.260 3.280 2.232 4.258 . 0 0 "[ . 1 . 2]" 1
1415 1 97 GLU HA 1 97 GLU QG . . 3.690 2.865 2.232 3.495 . 0 0 "[ . 1 . 2]" 1
1416 1 97 GLU HA 1 98 LEU QD . . 5.020 4.859 4.643 5.083 0.063 19 0 "[ . 1 . 2]" 1
1417 1 97 GLU QG 1 98 LEU H . . 4.100 3.220 1.846 3.892 . 0 0 "[ . 1 . 2]" 1
1418 1 98 LEU H 1 98 LEU QB . . 3.540 2.364 2.159 2.608 . 0 0 "[ . 1 . 2]" 1
1419 1 98 LEU HA 1 98 LEU QD . . 3.490 2.408 1.924 3.250 . 0 0 "[ . 1 . 2]" 1
1420 1 98 LEU QD 1 99 MET H . . 3.670 2.681 2.102 3.393 . 0 0 "[ . 1 . 2]" 1
1421 1 98 LEU QD 1 100 LEU HG . . 4.590 2.230 1.853 2.982 . 0 0 "[ . 1 . 2]" 1
1422 1 98 LEU QD 1 100 LEU MD1 . . 3.670 2.213 1.919 3.017 . 0 0 "[ . 1 . 2]" 1
1423 1 98 LEU QD 1 100 LEU MD2 . . 3.620 2.030 1.825 2.629 . 0 0 "[ . 1 . 2]" 1
1424 1 99 MET H 1 99 MET QG . . 4.520 3.386 2.839 4.166 . 0 0 "[ . 1 . 2]" 1
1425 1 99 MET HA 1 99 MET QG . . 3.720 2.346 2.189 2.453 . 0 0 "[ . 1 . 2]" 1
1426 1 99 MET QG 1 100 LEU H . . 4.440 3.698 2.344 4.304 . 0 0 "[ . 1 . 2]" 1
1427 1 101 LEU QB 1 101 LEU MD2 . . 3.260 2.053 1.965 2.100 . 0 0 "[ . 1 . 2]" 1
1428 1 101 LEU QB 1 102 VAL H . . 4.440 3.933 3.877 3.956 . 0 0 "[ . 1 . 2]" 1
1429 1 102 VAL MG2 1 104 PRO QD . . 4.710 3.974 3.005 4.205 . 0 0 "[ . 1 . 2]" 1
1430 1 103 ARG H 1 103 ARG QB . . 3.680 2.377 2.195 2.888 . 0 0 "[ . 1 . 2]" 1
1431 1 103 ARG HA 1 103 ARG QG . . 3.730 2.371 2.177 3.313 . 0 0 "[ . 1 . 2]" 1
1432 1 103 ARG HA 1 104 PRO QG . . 5.080 3.843 3.767 3.880 . 0 0 "[ . 1 . 2]" 1
1433 1 103 ARG QB 1 104 PRO QD . . 5.180 3.217 2.542 3.661 . 0 0 "[ . 1 . 2]" 1
1434 1 103 ARG QG 1 104 PRO QD . . 4.400 2.286 1.818 4.142 . 0 0 "[ . 1 . 2]" 1
1435 1 104 PRO HA 1 105 ASN QB . . 4.420 4.165 3.971 4.421 0.001 19 0 "[ . 1 . 2]" 1
1436 1 105 ASN QB 1 106 ALA H . . 4.180 3.787 2.243 4.050 . 0 0 "[ . 1 . 2]" 1
1437 1 106 ALA MB 1 107 VAL QG . . 4.290 3.948 3.269 4.261 . 0 0 "[ . 1 . 2]" 1
1438 1 107 VAL H 1 107 VAL QG . . 3.270 2.392 1.802 2.937 . 0 0 "[ . 1 . 2]" 1
1439 1 107 VAL QG 1 108 TYR H . . 3.910 2.585 1.982 3.613 . 0 0 "[ . 1 . 2]" 1
1440 1 107 VAL QG 1 108 TYR HA . . 4.630 3.761 3.136 4.390 . 0 0 "[ . 1 . 2]" 1
1441 1 108 TYR H 1 108 TYR QB . . 3.410 2.612 2.175 3.170 . 0 0 "[ . 1 . 2]" 1
1442 1 108 TYR QB 1 109 ASP H . . 3.910 3.125 2.140 3.899 . 0 0 "[ . 1 . 2]" 1
1443 1 109 ASP H 1 109 ASP QB . . 3.550 2.811 2.194 3.314 . 0 0 "[ . 1 . 2]" 1
1444 1 109 ASP QB 1 110 VAL H . . 3.970 3.181 2.085 3.936 . 0 0 "[ . 1 . 2]" 1
1445 1 110 VAL H 1 110 VAL QG . . 3.780 2.324 1.925 2.832 . 0 0 "[ . 1 . 2]" 1
1446 1 111 VAL H 1 111 VAL QG . . 4.120 2.382 1.905 2.921 . 0 0 "[ . 1 . 2]" 1
1447 1 111 VAL QG 1 112 GLU H . . 4.160 2.444 1.850 3.345 . 0 0 "[ . 1 . 2]" 1
1448 1 111 VAL QG 1 112 GLU HA . . 4.730 3.396 3.120 3.746 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 2
_Distance_constraint_stats_list.Viol_count 40
_Distance_constraint_stats_list.Viol_total 1541.920
_Distance_constraint_stats_list.Viol_max 3.702
_Distance_constraint_stats_list.Viol_rms 1.0619
_Distance_constraint_stats_list.Viol_average_all_restraints 1.9274
_Distance_constraint_stats_list.Viol_average_violations_only 1.9274
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 75 ILE 55.138 3.702 14 20 [****-********+******]
1 78 HIS 77.096 3.702 14 20 [*************+****-*]
1 83 VAL 21.958 2.198 7 17 "[* **.*+***** *****-*]"
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 75 ILE MD 1 78 HIS HD2 . . 4.000 6.757 5.304 7.702 3.702 14 20 [****-********+******] 2
2 1 78 HIS HD2 1 83 VAL QG . . 4.000 5.098 4.275 6.198 2.198 7 17 "[* **.*+***** *****-*]" 2
stop_
save_
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