NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
500952 |
2rre   |
11250 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rre
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 974
_Distance_constraint_stats_list.Viol_count 866
_Distance_constraint_stats_list.Viol_total 136.429
_Distance_constraint_stats_list.Viol_max 0.085
_Distance_constraint_stats_list.Viol_rms 0.0024
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0079
_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 7 PRO 0.061 0.019 7 0 "[ . 1 . 2]"
1 8 ARG 0.061 0.019 7 0 "[ . 1 . 2]"
1 11 VAL 0.002 0.002 2 0 "[ . 1 . 2]"
1 12 PHE 0.071 0.027 14 0 "[ . 1 . 2]"
1 13 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ASP 0.005 0.005 8 0 "[ . 1 . 2]"
1 15 ARG 0.147 0.027 14 0 "[ . 1 . 2]"
1 16 LYS 0.437 0.060 8 0 "[ . 1 . 2]"
1 17 LEU 0.292 0.060 8 0 "[ . 1 . 2]"
1 18 LYS 0.371 0.018 18 0 "[ . 1 . 2]"
1 19 GLN 0.146 0.014 5 0 "[ . 1 . 2]"
1 20 ARG 0.316 0.027 8 0 "[ . 1 . 2]"
1 21 VAL 0.978 0.035 3 0 "[ . 1 . 2]"
1 22 ILE 0.283 0.016 6 0 "[ . 1 . 2]"
1 23 GLN 0.027 0.010 6 0 "[ . 1 . 2]"
1 24 TYR 0.105 0.010 9 0 "[ . 1 . 2]"
1 25 LEU 1.183 0.043 14 0 "[ . 1 . 2]"
1 26 SER 0.018 0.007 14 0 "[ . 1 . 2]"
1 27 SER 0.003 0.003 1 0 "[ . 1 . 2]"
1 28 ASN 0.022 0.005 4 0 "[ . 1 . 2]"
1 29 ARG 0.018 0.006 19 0 "[ . 1 . 2]"
1 30 CYS 0.020 0.007 7 0 "[ . 1 . 2]"
1 31 GLY 0.008 0.005 13 0 "[ . 1 . 2]"
1 32 LYS 0.007 0.007 1 0 "[ . 1 . 2]"
1 33 TYR 0.067 0.012 17 0 "[ . 1 . 2]"
1 34 VAL 0.183 0.013 10 0 "[ . 1 . 2]"
1 35 ASP 0.115 0.013 18 0 "[ . 1 . 2]"
1 36 THR 0.037 0.007 16 0 "[ . 1 . 2]"
1 37 GLY 0.019 0.007 13 0 "[ . 1 . 2]"
1 38 ILE 0.160 0.013 18 0 "[ . 1 . 2]"
1 39 LEU 0.222 0.015 8 0 "[ . 1 . 2]"
1 40 ALA 0.024 0.007 12 0 "[ . 1 . 2]"
1 41 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ASP 0.055 0.016 16 0 "[ . 1 . 2]"
1 43 LEU 0.351 0.014 8 0 "[ . 1 . 2]"
1 44 GLN 0.028 0.008 8 0 "[ . 1 . 2]"
1 45 ARG 0.011 0.005 20 0 "[ . 1 . 2]"
1 46 LEU 0.151 0.020 4 0 "[ . 1 . 2]"
1 47 TYR 0.303 0.020 4 0 "[ . 1 . 2]"
1 48 SER 0.041 0.010 9 0 "[ . 1 . 2]"
1 49 VAL 0.051 0.014 19 0 "[ . 1 . 2]"
1 50 ASP 0.097 0.014 19 0 "[ . 1 . 2]"
1 51 TYR 0.082 0.022 8 0 "[ . 1 . 2]"
1 52 GLY 0.013 0.008 8 0 "[ . 1 . 2]"
1 53 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ARG 0.027 0.020 4 0 "[ . 1 . 2]"
1 55 LYS 0.176 0.028 13 0 "[ . 1 . 2]"
1 57 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ALA 0.120 0.028 13 0 "[ . 1 . 2]"
1 59 PHE 0.147 0.022 8 0 "[ . 1 . 2]"
1 60 ARG 0.089 0.012 18 0 "[ . 1 . 2]"
1 61 ILE 0.105 0.010 13 0 "[ . 1 . 2]"
1 62 GLN 0.010 0.005 8 0 "[ . 1 . 2]"
1 63 VAL 0.140 0.015 3 0 "[ . 1 . 2]"
1 64 GLU 0.039 0.012 18 0 "[ . 1 . 2]"
1 65 LYS 0.061 0.008 20 0 "[ . 1 . 2]"
1 66 VAL 1.036 0.032 17 0 "[ . 1 . 2]"
1 67 PHE 0.105 0.011 10 0 "[ . 1 . 2]"
1 68 SER 0.578 0.038 15 0 "[ . 1 . 2]"
1 69 ILE 1.713 0.040 2 0 "[ . 1 . 2]"
1 70 ILE 1.028 0.045 9 0 "[ . 1 . 2]"
1 71 SER 0.154 0.015 17 0 "[ . 1 . 2]"
1 72 SER 0.113 0.015 17 0 "[ . 1 . 2]"
1 73 GLU 0.543 0.085 7 0 "[ . 1 . 2]"
1 74 LYS 0.288 0.045 9 0 "[ . 1 . 2]"
1 75 GLU 0.036 0.008 4 0 "[ . 1 . 2]"
1 76 LEU 0.003 0.003 20 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 15 ARG HA 1 18 LYS HB3 . . 3.840 3.627 3.388 3.844 0.004 6 0 "[ . 1 . 2]" 1
2 1 15 ARG HA 1 18 LYS HB2 . . 4.750 3.719 3.514 3.910 . 0 0 "[ . 1 . 2]" 1
3 1 15 ARG HA 1 19 GLN QB . . 5.210 4.988 4.710 5.216 0.006 17 0 "[ . 1 . 2]" 1
4 1 15 ARG QB 1 19 GLN QB . . 4.530 4.295 3.947 4.522 . 0 0 "[ . 1 . 2]" 1
5 1 18 LYS HA 1 70 ILE QG . . 5.500 5.270 5.208 5.351 . 0 0 "[ . 1 . 2]" 1
6 1 18 LYS HG3 1 70 ILE QG . . 5.010 4.667 4.598 4.729 . 0 0 "[ . 1 . 2]" 1
7 1 18 LYS HG3 1 74 LYS QD . . 5.440 5.052 4.560 5.329 . 0 0 "[ . 1 . 2]" 1
8 1 18 LYS HG2 1 74 LYS QD . . 4.560 4.354 3.842 4.563 0.003 16 0 "[ . 1 . 2]" 1
9 1 16 LYS HA 1 19 GLN QB . . 3.270 2.529 2.380 2.605 . 0 0 "[ . 1 . 2]" 1
10 1 19 GLN HG3 1 20 ARG HA . . 4.560 4.149 3.860 4.448 . 0 0 "[ . 1 . 2]" 1
11 1 16 LYS HA 1 19 GLN HG2 . . 4.440 4.335 4.191 4.445 0.005 9 0 "[ . 1 . 2]" 1
12 1 15 ARG QB 1 16 LYS HA . . 4.250 3.917 3.814 4.065 . 0 0 "[ . 1 . 2]" 1
13 1 16 LYS HA 1 20 ARG HB2 . . 4.490 3.892 3.734 4.056 . 0 0 "[ . 1 . 2]" 1
14 1 16 LYS HA 1 20 ARG HB3 . . 5.500 5.261 4.886 5.471 . 0 0 "[ . 1 . 2]" 1
15 1 19 GLN HA 1 22 ILE HG12 . . 4.790 1.982 1.968 2.032 . 0 0 "[ . 1 . 2]" 1
16 1 19 GLN QB 1 22 ILE HG12 . . 4.560 4.048 4.025 4.086 . 0 0 "[ . 1 . 2]" 1
17 1 22 ILE HG12 1 23 GLN QB . . 4.930 4.285 4.122 4.430 . 0 0 "[ . 1 . 2]" 1
18 1 19 GLN HG3 1 22 ILE HG12 . . 4.420 3.723 3.598 3.893 . 0 0 "[ . 1 . 2]" 1
19 1 20 ARG HA 1 22 ILE HG12 . . 4.920 4.701 4.655 4.769 . 0 0 "[ . 1 . 2]" 1
20 1 17 LEU HA 1 20 ARG HB2 . . 4.070 3.808 3.658 3.971 . 0 0 "[ . 1 . 2]" 1
21 1 17 LEU HA 1 20 ARG HB3 . . 4.350 3.339 3.108 3.660 . 0 0 "[ . 1 . 2]" 1
22 1 17 LEU HA 1 43 LEU MD1 . . 5.260 4.923 4.590 5.127 . 0 0 "[ . 1 . 2]" 1
23 1 20 ARG HA 1 43 LEU MD1 . . 5.500 5.170 4.961 5.277 . 0 0 "[ . 1 . 2]" 1
24 1 66 VAL MG1 1 67 PHE HA . . 4.430 3.332 3.247 3.392 . 0 0 "[ . 1 . 2]" 1
25 1 17 LEU HG 1 66 VAL MG2 . . 3.470 2.836 2.479 3.240 . 0 0 "[ . 1 . 2]" 1
26 1 17 LEU HA 1 17 LEU MD2 . . 3.400 2.062 1.970 2.289 . 0 0 "[ . 1 . 2]" 1
27 1 17 LEU MD2 1 21 VAL MG2 . . 3.820 3.560 3.445 3.663 . 0 0 "[ . 1 . 2]" 1
28 1 17 LEU MD2 1 43 LEU HB3 . . 4.880 3.795 3.274 4.106 . 0 0 "[ . 1 . 2]" 1
29 1 17 LEU MD2 1 51 TYR QB . . 5.410 4.461 3.961 5.051 . 0 0 "[ . 1 . 2]" 1
30 1 17 LEU MD2 1 43 LEU HB2 . . 5.110 4.570 4.095 4.919 . 0 0 "[ . 1 . 2]" 1
31 1 17 LEU MD2 1 43 LEU HG . . 4.130 3.802 3.634 4.031 . 0 0 "[ . 1 . 2]" 1
32 1 17 LEU MD2 1 43 LEU MD1 . . 4.460 4.291 4.083 4.438 . 0 0 "[ . 1 . 2]" 1
33 1 17 LEU MD2 1 51 TYR QE . . 4.270 2.719 1.831 3.261 . 0 0 "[ . 1 . 2]" 1
34 1 17 LEU MD2 1 51 TYR QD . . 4.060 3.630 2.729 4.054 . 0 0 "[ . 1 . 2]" 1
35 1 17 LEU MD2 1 59 PHE QE . . 3.900 2.258 1.868 2.782 . 0 0 "[ . 1 . 2]" 1
36 1 17 LEU MD2 1 62 GLN QB . . 4.410 3.252 2.788 3.776 . 0 0 "[ . 1 . 2]" 1
37 1 17 LEU MD2 1 63 VAL MG1 . . 3.980 3.854 3.112 3.985 0.005 12 0 "[ . 1 . 2]" 1
38 1 17 LEU MD2 1 63 VAL MG2 . . 3.980 2.472 1.898 3.682 . 0 0 "[ . 1 . 2]" 1
39 1 17 LEU MD2 1 66 VAL MG1 . . 4.480 4.215 4.158 4.296 . 0 0 "[ . 1 . 2]" 1
40 1 43 LEU MD2 1 70 ILE MD . . 5.500 5.503 5.440 5.513 0.013 14 0 "[ . 1 . 2]" 1
41 1 17 LEU MD1 1 70 ILE MD . . 4.600 4.586 4.472 4.621 0.021 18 0 "[ . 1 . 2]" 1
42 1 17 LEU MD1 1 21 VAL MG1 . . 3.880 3.727 3.578 3.799 . 0 0 "[ . 1 . 2]" 1
43 1 17 LEU MD1 1 43 LEU HG . . 4.530 4.258 4.094 4.391 . 0 0 "[ . 1 . 2]" 1
44 1 17 LEU MD1 1 43 LEU MD2 . . 2.990 1.976 1.850 2.100 . 0 0 "[ . 1 . 2]" 1
45 1 17 LEU MD1 1 43 LEU MD1 . . 3.950 3.792 3.588 3.945 . 0 0 "[ . 1 . 2]" 1
46 1 17 LEU MD1 1 59 PHE QE . . 4.430 4.207 3.912 4.436 0.006 4 0 "[ . 1 . 2]" 1
47 1 17 LEU MD1 1 62 GLN QB . . 4.440 3.900 3.482 4.438 . 0 0 "[ . 1 . 2]" 1
48 1 17 LEU MD2 1 63 VAL HA . . 4.370 3.911 3.522 4.086 . 0 0 "[ . 1 . 2]" 1
49 1 43 LEU MD2 1 63 VAL HA . . 5.010 4.395 4.002 4.693 . 0 0 "[ . 1 . 2]" 1
50 1 17 LEU MD1 1 63 VAL HA . . 3.800 2.174 1.924 2.456 . 0 0 "[ . 1 . 2]" 1
51 1 17 LEU MD1 1 63 VAL MG1 . . 3.780 2.556 1.912 3.615 . 0 0 "[ . 1 . 2]" 1
52 1 17 LEU MD1 1 63 VAL MG2 . . 3.780 2.194 1.891 2.420 . 0 0 "[ . 1 . 2]" 1
53 1 43 LEU MD2 1 66 VAL MG1 . . 5.170 4.120 4.004 4.240 . 0 0 "[ . 1 . 2]" 1
54 1 17 LEU MD1 1 66 VAL MG1 . . 3.140 1.913 1.838 2.069 . 0 0 "[ . 1 . 2]" 1
55 1 17 LEU MD1 1 21 VAL MG2 . . 3.680 1.887 1.788 1.969 . 0 0 "[ . 1 . 2]" 1
56 1 18 LYS HA 1 21 VAL MG1 . . 4.170 3.817 3.693 3.903 . 0 0 "[ . 1 . 2]" 1
57 1 18 LYS HA 1 69 ILE MG . . 4.670 4.271 4.154 4.351 . 0 0 "[ . 1 . 2]" 1
58 1 18 LYS HA 1 22 ILE MG . . 3.670 3.459 3.368 3.602 . 0 0 "[ . 1 . 2]" 1
59 1 18 LYS HA 1 66 VAL MG2 . . 3.260 3.266 3.235 3.278 0.018 18 0 "[ . 1 . 2]" 1
60 1 18 LYS HA 1 70 ILE MD . . 4.500 4.292 4.216 4.371 . 0 0 "[ . 1 . 2]" 1
61 1 18 LYS HB3 1 22 ILE MD . . 4.930 4.372 4.054 4.670 . 0 0 "[ . 1 . 2]" 1
62 1 18 LYS HB3 1 69 ILE MG . . 5.320 4.599 4.525 4.683 . 0 0 "[ . 1 . 2]" 1
63 1 18 LYS QD 1 22 ILE MD . . 4.500 4.273 3.898 4.505 0.005 7 0 "[ . 1 . 2]" 1
64 1 65 LYS QB 1 66 VAL HA . . 3.930 3.861 3.816 3.895 . 0 0 "[ . 1 . 2]" 1
65 1 18 LYS HB3 1 66 VAL MG1 . . 4.060 3.854 3.734 3.923 . 0 0 "[ . 1 . 2]" 1
66 1 18 LYS HB3 1 66 VAL MG2 . . 5.070 4.091 3.850 4.250 . 0 0 "[ . 1 . 2]" 1
67 1 65 LYS QB 1 66 VAL MG2 . . 5.330 3.533 3.401 3.622 . 0 0 "[ . 1 . 2]" 1
68 1 18 LYS HB2 1 69 ILE MG . . 4.670 3.600 3.456 3.832 . 0 0 "[ . 1 . 2]" 1
69 1 18 LYS HG2 1 21 VAL MG1 . . 4.820 4.717 4.499 4.824 0.004 8 0 "[ . 1 . 2]" 1
70 1 18 LYS HG3 1 21 VAL MG1 . . 5.150 5.088 4.962 5.155 0.005 8 0 "[ . 1 . 2]" 1
71 1 18 LYS HG3 1 66 VAL MG2 . . 3.900 3.660 3.255 3.901 0.001 18 0 "[ . 1 . 2]" 1
72 1 18 LYS HG2 1 22 ILE MG . . 3.940 2.236 2.040 2.374 . 0 0 "[ . 1 . 2]" 1
73 1 18 LYS HG3 1 22 ILE MG . . 3.640 3.581 3.397 3.645 0.005 17 0 "[ . 1 . 2]" 1
74 1 18 LYS HG2 1 22 ILE MD . . 3.990 3.501 3.262 3.732 . 0 0 "[ . 1 . 2]" 1
75 1 18 LYS HG3 1 66 VAL MG1 . . 3.310 2.583 2.270 2.781 . 0 0 "[ . 1 . 2]" 1
76 1 17 LEU HG 1 66 VAL MG1 . . 3.890 3.729 3.663 3.800 . 0 0 "[ . 1 . 2]" 1
77 1 18 LYS HG2 1 66 VAL MG1 . . 4.120 3.391 3.257 3.526 . 0 0 "[ . 1 . 2]" 1
78 1 18 LYS HG3 1 70 ILE MG . . 4.250 1.925 1.902 1.985 . 0 0 "[ . 1 . 2]" 1
79 1 18 LYS HG3 1 69 ILE MG . . 3.950 2.372 2.265 2.490 . 0 0 "[ . 1 . 2]" 1
80 1 18 LYS HG3 1 70 ILE MD . . 4.800 4.726 4.591 4.805 0.005 10 0 "[ . 1 . 2]" 1
81 1 18 LYS HG2 1 69 ILE MG . . 4.450 3.697 3.573 3.893 . 0 0 "[ . 1 . 2]" 1
82 1 18 LYS HG2 1 70 ILE MD . . 4.970 4.715 4.615 4.818 . 0 0 "[ . 1 . 2]" 1
83 1 18 LYS HB2 1 66 VAL MG1 . . 4.080 2.797 2.611 2.904 . 0 0 "[ . 1 . 2]" 1
84 1 18 LYS HB2 1 66 VAL MG2 . . 4.400 2.639 2.346 2.805 . 0 0 "[ . 1 . 2]" 1
85 1 69 ILE HA 1 69 ILE QG . . 3.910 2.221 2.175 2.279 . 0 0 "[ . 1 . 2]" 1
86 1 18 LYS QD 1 69 ILE MG . . 3.720 2.747 2.347 3.039 . 0 0 "[ . 1 . 2]" 1
87 1 18 LYS QD 1 70 ILE HA . . 3.890 3.430 3.157 3.667 . 0 0 "[ . 1 . 2]" 1
88 1 18 LYS HB2 1 70 ILE MG . . 3.840 3.600 3.407 3.783 . 0 0 "[ . 1 . 2]" 1
89 1 18 LYS QD 1 70 ILE MG . . 4.000 3.109 2.948 3.193 . 0 0 "[ . 1 . 2]" 1
90 1 18 LYS QD 1 74 LYS QD . . 3.590 3.531 3.207 3.596 0.006 17 0 "[ . 1 . 2]" 1
91 1 18 LYS QD 1 74 LYS QE . . 4.040 3.568 2.063 4.043 0.003 16 0 "[ . 1 . 2]" 1
92 1 18 LYS HE2 1 22 ILE MD . . 4.070 2.961 2.280 3.932 . 0 0 "[ . 1 . 2]" 1
93 1 18 LYS HE3 1 22 ILE MD . . 4.070 3.053 1.977 3.899 . 0 0 "[ . 1 . 2]" 1
94 1 18 LYS HE2 1 74 LYS QE . . 4.010 3.228 2.053 3.974 . 0 0 "[ . 1 . 2]" 1
95 1 18 LYS HE3 1 74 LYS QE . . 4.010 2.515 2.077 3.288 . 0 0 "[ . 1 . 2]" 1
96 1 19 GLN HA 1 22 ILE MG . . 3.780 3.250 3.193 3.352 . 0 0 "[ . 1 . 2]" 1
97 1 19 GLN HA 1 22 ILE MD . . 3.630 2.058 1.946 2.206 . 0 0 "[ . 1 . 2]" 1
98 1 19 GLN HA 1 20 ARG HA . . 4.820 4.763 4.752 4.774 . 0 0 "[ . 1 . 2]" 1
99 1 19 GLN HA 1 23 GLN QG . . 4.540 3.882 3.661 4.183 . 0 0 "[ . 1 . 2]" 1
100 1 22 ILE HA 1 25 LEU HG . . 4.730 3.646 3.600 3.684 . 0 0 "[ . 1 . 2]" 1
101 1 21 VAL HB 1 22 ILE MG . . 4.090 3.507 3.333 3.615 . 0 0 "[ . 1 . 2]" 1
102 1 19 GLN QB 1 22 ILE MG . . 5.020 4.797 4.729 4.900 . 0 0 "[ . 1 . 2]" 1
103 1 19 GLN QB 1 22 ILE MD . . 4.370 3.533 3.381 3.708 . 0 0 "[ . 1 . 2]" 1
104 1 19 GLN HG3 1 22 ILE MG . . 5.490 5.278 5.131 5.482 . 0 0 "[ . 1 . 2]" 1
105 1 19 GLN HG2 1 20 ARG HA . . 5.430 4.648 3.946 5.092 . 0 0 "[ . 1 . 2]" 1
106 1 19 GLN HG3 1 23 GLN QG . . 2.860 2.727 2.521 2.870 0.010 6 0 "[ . 1 . 2]" 1
107 1 20 ARG HA 1 23 GLN QB . . 3.450 2.794 2.653 2.946 . 0 0 "[ . 1 . 2]" 1
108 1 20 ARG HA 1 23 GLN QG . . 4.070 3.610 3.263 3.903 . 0 0 "[ . 1 . 2]" 1
109 1 19 GLN QB 1 20 ARG HB2 . . 4.100 3.913 3.840 4.021 . 0 0 "[ . 1 . 2]" 1
110 1 67 PHE HA 1 70 ILE HB . . 4.980 4.808 4.720 4.894 . 0 0 "[ . 1 . 2]" 1
111 1 20 ARG HB2 1 43 LEU MD2 . . 4.670 4.384 3.868 4.678 0.008 8 0 "[ . 1 . 2]" 1
112 1 20 ARG HB2 1 43 LEU MD1 . . 4.930 4.861 4.571 4.936 0.006 2 0 "[ . 1 . 2]" 1
113 1 21 VAL HA 1 24 TYR HB2 . . 4.350 2.425 2.282 2.561 . 0 0 "[ . 1 . 2]" 1
114 1 21 VAL HA 1 24 TYR HB3 . . 4.650 3.844 3.609 4.123 . 0 0 "[ . 1 . 2]" 1
115 1 21 VAL HA 1 25 LEU MD2 . . 4.630 4.422 4.369 4.493 . 0 0 "[ . 1 . 2]" 1
116 1 21 VAL HA 1 25 LEU MD1 . . 3.720 3.727 3.713 3.737 0.017 16 0 "[ . 1 . 2]" 1
117 1 21 VAL HA 1 39 LEU MD1 . . 4.130 3.817 3.650 4.057 . 0 0 "[ . 1 . 2]" 1
118 1 21 VAL HA 1 39 LEU MD2 . . 4.130 3.836 3.459 4.136 0.006 1 0 "[ . 1 . 2]" 1
119 1 21 VAL HA 1 43 LEU MD2 . . 4.390 3.683 3.398 3.907 . 0 0 "[ . 1 . 2]" 1
120 1 21 VAL HA 1 43 LEU MD1 . . 3.820 2.987 2.823 3.147 . 0 0 "[ . 1 . 2]" 1
121 1 21 VAL HA 1 66 VAL MG1 . . 5.250 5.038 4.948 5.159 . 0 0 "[ . 1 . 2]" 1
122 1 21 VAL HA 1 21 VAL MG2 . . 3.120 2.266 2.180 2.295 . 0 0 "[ . 1 . 2]" 1
123 1 21 VAL HA 1 70 ILE MD . . 4.950 4.792 4.731 4.848 . 0 0 "[ . 1 . 2]" 1
124 1 21 VAL MG1 1 25 LEU HB2 . . 4.440 4.318 4.143 4.411 . 0 0 "[ . 1 . 2]" 1
125 1 21 VAL MG1 1 70 ILE QG . . 3.520 3.511 3.465 3.533 0.013 6 0 "[ . 1 . 2]" 1
126 1 21 VAL MG1 1 25 LEU HB3 . . 4.680 4.637 4.537 4.683 0.003 19 0 "[ . 1 . 2]" 1
127 1 21 VAL MG1 1 25 LEU MD1 . . 2.820 1.749 1.707 1.771 . 0 0 "[ . 1 . 2]" 1
128 1 21 VAL MG1 1 39 LEU MD1 . . 3.470 2.651 1.864 3.330 . 0 0 "[ . 1 . 2]" 1
129 1 21 VAL MG1 1 43 LEU MD2 . . 4.370 3.983 3.880 4.072 . 0 0 "[ . 1 . 2]" 1
130 1 21 VAL MG2 1 43 LEU MD2 . . 3.030 1.870 1.746 1.980 . 0 0 "[ . 1 . 2]" 1
131 1 21 VAL MG1 1 67 PHE HA . . 4.330 3.364 3.228 3.440 . 0 0 "[ . 1 . 2]" 1
132 1 21 VAL MG1 1 24 TYR HB3 . . 5.260 4.547 4.291 4.851 . 0 0 "[ . 1 . 2]" 1
133 1 21 VAL MG1 1 67 PHE HB2 . . 5.500 4.304 4.178 4.434 . 0 0 "[ . 1 . 2]" 1
134 1 21 VAL MG2 1 67 PHE HB2 . . 4.780 4.776 4.707 4.791 0.011 10 0 "[ . 1 . 2]" 1
135 1 21 VAL MG1 1 67 PHE QE . . 4.680 4.333 3.745 4.681 0.001 10 0 "[ . 1 . 2]" 1
136 1 21 VAL MG1 1 67 PHE QD . . 4.390 3.174 2.683 3.490 . 0 0 "[ . 1 . 2]" 1
137 1 21 VAL MG1 1 70 ILE MG . . 3.360 2.444 2.390 2.495 . 0 0 "[ . 1 . 2]" 1
138 1 21 VAL MG2 1 70 ILE MG . . 4.190 3.786 3.656 3.855 . 0 0 "[ . 1 . 2]" 1
139 1 66 VAL MG2 1 70 ILE MG . . 4.780 3.860 3.750 3.933 . 0 0 "[ . 1 . 2]" 1
140 1 21 VAL MG1 1 70 ILE MD . . 2.890 1.717 1.687 1.742 . 0 0 "[ . 1 . 2]" 1
141 1 21 VAL MG2 1 24 TYR HB2 . . 5.030 4.122 4.030 4.236 . 0 0 "[ . 1 . 2]" 1
142 1 24 TYR HB2 1 25 LEU MD1 . . 5.410 4.361 4.210 4.649 . 0 0 "[ . 1 . 2]" 1
143 1 24 TYR HB3 1 25 LEU MD1 . . 5.500 4.908 4.639 5.163 . 0 0 "[ . 1 . 2]" 1
144 1 21 VAL MG1 1 25 LEU HG . . 3.900 2.521 2.414 2.570 . 0 0 "[ . 1 . 2]" 1
145 1 21 VAL MG1 1 25 LEU MD2 . . 2.550 2.423 2.367 2.516 . 0 0 "[ . 1 . 2]" 1
146 1 21 VAL MG1 1 39 LEU HG . . 4.440 4.124 3.931 4.392 . 0 0 "[ . 1 . 2]" 1
147 1 21 VAL MG2 1 39 LEU HG . . 4.040 3.392 2.795 4.047 0.007 10 0 "[ . 1 . 2]" 1
148 1 21 VAL MG2 1 39 LEU MD1 . . 3.340 2.434 1.927 3.120 . 0 0 "[ . 1 . 2]" 1
149 1 21 VAL MG1 1 39 LEU MD2 . . 3.470 2.518 1.891 3.385 . 0 0 "[ . 1 . 2]" 1
150 1 21 VAL MG2 1 39 LEU MD2 . . 3.340 1.981 1.850 2.269 . 0 0 "[ . 1 . 2]" 1
151 1 21 VAL MG2 1 43 LEU HB3 . . 4.750 4.645 4.498 4.759 0.009 16 0 "[ . 1 . 2]" 1
152 1 21 VAL MG2 1 43 LEU MD1 . . 2.550 2.449 2.079 2.558 0.008 1 0 "[ . 1 . 2]" 1
153 1 66 VAL HA 1 66 VAL MG2 . . 3.350 2.112 2.060 2.260 . 0 0 "[ . 1 . 2]" 1
154 1 21 VAL MG1 1 66 VAL MG1 . . 3.000 2.894 2.773 3.003 0.003 7 0 "[ . 1 . 2]" 1
155 1 17 LEU HA 1 21 VAL MG2 . . 3.880 3.458 3.325 3.592 . 0 0 "[ . 1 . 2]" 1
156 1 21 VAL MG2 1 67 PHE HA . . 5.000 4.589 4.531 4.674 . 0 0 "[ . 1 . 2]" 1
157 1 25 LEU MD1 1 67 PHE HA . . 5.440 4.553 4.244 4.743 . 0 0 "[ . 1 . 2]" 1
158 1 21 VAL MG2 1 24 TYR HB3 . . 5.500 5.003 4.813 5.217 . 0 0 "[ . 1 . 2]" 1
159 1 21 VAL MG2 1 67 PHE QD . . 4.510 4.325 3.979 4.509 . 0 0 "[ . 1 . 2]" 1
160 1 21 VAL MG2 1 70 ILE QG . . 5.500 5.192 5.127 5.261 . 0 0 "[ . 1 . 2]" 1
161 1 66 VAL MG2 1 70 ILE QG . . 5.500 5.487 5.447 5.505 0.005 16 0 "[ . 1 . 2]" 1
162 1 66 VAL MG2 1 69 ILE MD . . 4.290 4.211 4.099 4.275 . 0 0 "[ . 1 . 2]" 1
163 1 22 ILE HA 1 25 LEU HB2 . . 4.320 3.400 3.165 3.553 . 0 0 "[ . 1 . 2]" 1
164 1 22 ILE HA 1 25 LEU MD2 . . 4.490 4.435 4.374 4.506 0.016 6 0 "[ . 1 . 2]" 1
165 1 22 ILE HA 1 25 LEU MD1 . . 3.670 1.871 1.822 1.920 . 0 0 "[ . 1 . 2]" 1
166 1 22 ILE HA 1 70 ILE MG . . 4.350 3.943 3.870 3.993 . 0 0 "[ . 1 . 2]" 1
167 1 22 ILE HA 1 25 LEU HB3 . . 5.440 4.889 4.717 5.010 . 0 0 "[ . 1 . 2]" 1
168 1 22 ILE HA 1 70 ILE QG . . 5.500 5.245 5.104 5.386 . 0 0 "[ . 1 . 2]" 1
169 1 22 ILE HA 1 70 ILE MD . . 3.570 3.505 3.315 3.576 0.006 10 0 "[ . 1 . 2]" 1
170 1 22 ILE HA 1 74 LYS QE . . 5.130 4.744 4.259 5.109 . 0 0 "[ . 1 . 2]" 1
171 1 22 ILE MG 1 25 LEU HB2 . . 5.280 5.007 4.810 5.167 . 0 0 "[ . 1 . 2]" 1
172 1 22 ILE MG 1 70 ILE MG . . 2.980 1.859 1.824 1.914 . 0 0 "[ . 1 . 2]" 1
173 1 22 ILE MD 1 22 ILE MG . . 2.400 2.057 1.883 2.192 . 0 0 "[ . 1 . 2]" 1
174 1 22 ILE HG12 1 22 ILE MG . . 3.030 2.296 2.223 2.384 . 0 0 "[ . 1 . 2]" 1
175 1 22 ILE MG 1 74 LYS QG . . 4.630 2.319 1.935 3.242 . 0 0 "[ . 1 . 2]" 1
176 1 22 ILE MG 1 74 LYS QD . . 4.000 3.046 1.967 3.613 . 0 0 "[ . 1 . 2]" 1
177 1 21 VAL MG2 1 25 LEU HG . . 4.740 4.560 4.452 4.632 . 0 0 "[ . 1 . 2]" 1
178 1 21 VAL MG2 1 25 LEU MD2 . . 4.020 4.048 4.035 4.055 0.035 3 0 "[ . 1 . 2]" 1
179 1 22 ILE MG 1 25 LEU MD1 . . 3.000 2.900 2.844 3.005 0.005 4 0 "[ . 1 . 2]" 1
180 1 22 ILE MG 1 70 ILE HA . . 3.760 3.286 3.161 3.424 . 0 0 "[ . 1 . 2]" 1
181 1 22 ILE MG 1 70 ILE MD . . 3.020 2.979 2.754 3.026 0.006 17 0 "[ . 1 . 2]" 1
182 1 18 LYS HA 1 22 ILE MD . . 5.370 5.005 4.821 5.168 . 0 0 "[ . 1 . 2]" 1
183 1 22 ILE MD 1 70 ILE HA . . 5.500 5.330 5.136 5.501 0.001 5 0 "[ . 1 . 2]" 1
184 1 69 ILE MG 1 70 ILE HA . . 3.550 2.995 2.955 3.031 . 0 0 "[ . 1 . 2]" 1
185 1 69 ILE MG 1 70 ILE MG . . 2.770 2.254 2.194 2.305 . 0 0 "[ . 1 . 2]" 1
186 1 70 ILE MD 1 70 ILE MG . . 2.880 1.942 1.866 2.022 . 0 0 "[ . 1 . 2]" 1
187 1 22 ILE MD 1 74 LYS QD . . 4.400 3.677 3.383 4.062 . 0 0 "[ . 1 . 2]" 1
188 1 22 ILE MD 1 74 LYS QE . . 4.200 1.955 1.731 2.355 . 0 0 "[ . 1 . 2]" 1
189 1 23 GLN HA 1 26 SER QB . . 3.570 2.853 2.582 3.320 . 0 0 "[ . 1 . 2]" 1
190 1 23 GLN QB 1 26 SER QB . . 5.240 4.590 4.357 5.114 . 0 0 "[ . 1 . 2]" 1
191 1 23 GLN QG 1 26 SER QB . . 4.640 4.416 4.195 4.647 0.007 14 0 "[ . 1 . 2]" 1
192 1 24 TYR HB3 1 30 CYS HB3 . . 4.450 4.206 3.482 4.457 0.007 7 0 "[ . 1 . 2]" 1
193 1 24 TYR HB3 1 30 CYS HB2 . . 4.450 3.687 3.085 4.091 . 0 0 "[ . 1 . 2]" 1
194 1 24 TYR HB2 1 43 LEU MD1 . . 4.720 3.611 3.457 3.765 . 0 0 "[ . 1 . 2]" 1
195 1 24 TYR HB3 1 43 LEU MD1 . . 4.520 4.078 3.911 4.267 . 0 0 "[ . 1 . 2]" 1
196 1 24 TYR QD 1 43 LEU MD1 . . 3.950 2.129 1.924 2.834 . 0 0 "[ . 1 . 2]" 1
197 1 24 TYR QE 1 43 LEU MD1 . . 4.370 2.320 2.026 2.880 . 0 0 "[ . 1 . 2]" 1
198 1 24 TYR QE 1 47 TYR QE . . 3.930 2.668 1.983 3.706 . 0 0 "[ . 1 . 2]" 1
199 1 24 TYR QD 1 43 LEU MD2 . . 4.940 4.016 3.642 4.941 0.001 17 0 "[ . 1 . 2]" 1
200 1 24 TYR QE 1 43 LEU MD2 . . 5.420 4.577 4.140 5.183 . 0 0 "[ . 1 . 2]" 1
201 1 24 TYR QE 1 46 LEU MD2 . . 4.470 2.939 1.928 3.595 . 0 0 "[ . 1 . 2]" 1
202 1 25 LEU HA 1 29 ARG HA . . 3.630 3.589 3.468 3.636 0.006 19 0 "[ . 1 . 2]" 1
203 1 25 LEU HB3 1 29 ARG HA . . 4.670 4.365 4.179 4.568 . 0 0 "[ . 1 . 2]" 1
204 1 21 VAL HB 1 70 ILE MD . . 3.900 3.413 3.293 3.547 . 0 0 "[ . 1 . 2]" 1
205 1 25 LEU MD2 1 70 ILE MG . . 4.920 4.934 4.920 4.963 0.043 14 0 "[ . 1 . 2]" 1
206 1 25 LEU MD1 1 67 PHE QD . . 4.630 4.191 3.413 4.628 . 0 0 "[ . 1 . 2]" 1
207 1 25 LEU MD1 1 70 ILE MG . . 3.540 3.417 3.286 3.497 . 0 0 "[ . 1 . 2]" 1
208 1 25 LEU MD2 1 70 ILE QG . . 4.700 4.519 4.437 4.615 . 0 0 "[ . 1 . 2]" 1
209 1 25 LEU MD1 1 70 ILE QG . . 4.310 3.428 3.342 3.503 . 0 0 "[ . 1 . 2]" 1
210 1 25 LEU MD2 1 70 ILE MD . . 2.910 2.909 2.876 2.921 0.011 8 0 "[ . 1 . 2]" 1
211 1 25 LEU MD1 1 70 ILE MD . . 2.400 1.795 1.728 1.856 . 0 0 "[ . 1 . 2]" 1
212 1 29 ARG QD 1 32 LYS HA . . 4.250 3.331 1.991 4.249 . 0 0 "[ . 1 . 2]" 1
213 1 31 GLY HA3 1 34 VAL MG1 . . 4.850 4.175 3.106 4.855 0.005 13 0 "[ . 1 . 2]" 1
214 1 31 GLY HA3 1 34 VAL MG2 . . 4.850 3.860 3.071 4.744 . 0 0 "[ . 1 . 2]" 1
215 1 34 VAL HA 1 38 ILE MG . . 3.930 2.738 2.216 3.606 . 0 0 "[ . 1 . 2]" 1
216 1 39 LEU HA 1 40 ALA HA . . 4.850 4.825 4.802 4.856 0.006 2 0 "[ . 1 . 2]" 1
217 1 39 LEU MD1 1 40 ALA HA . . 5.240 4.969 4.648 5.124 . 0 0 "[ . 1 . 2]" 1
218 1 39 LEU MD2 1 40 ALA HA . . 5.240 4.112 3.206 4.899 . 0 0 "[ . 1 . 2]" 1
219 1 34 VAL MG1 1 39 LEU HG . . 5.230 3.906 1.916 5.233 0.003 5 0 "[ . 1 . 2]" 1
220 1 34 VAL MG1 1 39 LEU MD1 . . 4.130 2.687 1.790 3.148 . 0 0 "[ . 1 . 2]" 1
221 1 34 VAL MG1 1 67 PHE QE . . 4.240 3.076 2.279 4.203 . 0 0 "[ . 1 . 2]" 1
222 1 38 ILE HA 1 38 ILE MD . . 4.060 3.773 2.846 3.892 . 0 0 "[ . 1 . 2]" 1
223 1 34 VAL MG2 1 39 LEU HG . . 5.230 3.593 1.943 5.241 0.011 8 0 "[ . 1 . 2]" 1
224 1 34 VAL MG2 1 39 LEU MD1 . . 4.130 2.693 2.005 4.130 0.000 10 0 "[ . 1 . 2]" 1
225 1 34 VAL MG1 1 39 LEU MD2 . . 4.130 3.755 2.956 4.140 0.010 20 0 "[ . 1 . 2]" 1
226 1 34 VAL MG2 1 39 LEU MD2 . . 4.130 3.599 3.052 4.143 0.013 10 0 "[ . 1 . 2]" 1
227 1 34 VAL MG2 1 67 PHE QE . . 4.240 4.065 3.808 4.248 0.008 10 0 "[ . 1 . 2]" 1
228 1 35 ASP HA 1 38 ILE MG . . 5.500 5.504 5.489 5.513 0.013 18 0 "[ . 1 . 2]" 1
229 1 35 ASP HB3 1 38 ILE MD . . 4.120 3.083 1.950 4.119 . 0 0 "[ . 1 . 2]" 1
230 1 35 ASP HB2 1 38 ILE MD . . 4.120 2.113 1.900 2.751 . 0 0 "[ . 1 . 2]" 1
231 1 36 THR HA 1 39 LEU HB3 . . 4.070 3.161 2.653 3.452 . 0 0 "[ . 1 . 2]" 1
232 1 36 THR HA 1 39 LEU HB2 . . 4.070 3.731 3.273 4.073 0.003 8 0 "[ . 1 . 2]" 1
233 1 36 THR HA 1 40 ALA MB . . 4.900 4.510 3.983 4.722 . 0 0 "[ . 1 . 2]" 1
234 1 36 THR HA 1 64 GLU HA . . 3.990 3.597 3.251 3.991 0.001 7 0 "[ . 1 . 2]" 1
235 1 36 THR MG 1 64 GLU HB2 . . 4.770 4.301 3.910 4.737 . 0 0 "[ . 1 . 2]" 1
236 1 36 THR MG 1 64 GLU HB3 . . 3.760 3.256 2.639 3.759 . 0 0 "[ . 1 . 2]" 1
237 1 36 THR MG 1 64 GLU HG2 . . 4.460 2.957 2.142 3.439 . 0 0 "[ . 1 . 2]" 1
238 1 36 THR MG 1 64 GLU HG3 . . 4.460 4.113 3.378 4.463 0.003 1 0 "[ . 1 . 2]" 1
239 1 36 THR MG 1 67 PHE HB2 . . 4.610 2.878 2.574 3.262 . 0 0 "[ . 1 . 2]" 1
240 1 36 THR MG 1 67 PHE QE . . 4.680 3.634 3.306 4.123 . 0 0 "[ . 1 . 2]" 1
241 1 36 THR MG 1 67 PHE QD . . 3.790 2.370 1.903 2.790 . 0 0 "[ . 1 . 2]" 1
242 1 36 THR MG 1 68 SER HA . . 5.350 4.897 4.521 5.313 . 0 0 "[ . 1 . 2]" 1
243 1 36 THR MG 1 64 GLU HA . . 3.900 2.091 1.866 2.590 . 0 0 "[ . 1 . 2]" 1
244 1 37 GLY HA3 1 40 ALA MB . . 4.600 4.314 4.102 4.498 . 0 0 "[ . 1 . 2]" 1
245 1 37 GLY HA2 1 40 ALA MB . . 3.970 2.908 2.722 3.128 . 0 0 "[ . 1 . 2]" 1
246 1 37 GLY HA3 1 60 ARG QD . . 4.770 4.119 3.510 4.766 . 0 0 "[ . 1 . 2]" 1
247 1 37 GLY HA2 1 60 ARG QD . . 4.320 3.099 2.327 4.151 . 0 0 "[ . 1 . 2]" 1
248 1 38 ILE HA 1 41 SER QB . . 4.720 3.030 2.708 3.581 . 0 0 "[ . 1 . 2]" 1
249 1 38 ILE MG 1 41 SER QB . . 4.110 3.806 3.441 4.097 . 0 0 "[ . 1 . 2]" 1
250 1 38 ILE MG 1 42 ASP HB3 . . 4.900 4.691 4.248 4.908 0.008 16 0 "[ . 1 . 2]" 1
251 1 39 LEU HA 1 42 ASP HB3 . . 4.790 3.464 2.741 4.372 . 0 0 "[ . 1 . 2]" 1
252 1 39 LEU HA 1 42 ASP HB2 . . 4.790 3.065 2.316 3.730 . 0 0 "[ . 1 . 2]" 1
253 1 39 LEU HG 1 43 LEU MD2 . . 5.280 3.808 2.820 5.096 . 0 0 "[ . 1 . 2]" 1
254 1 39 LEU HG 1 43 LEU MD1 . . 4.460 3.806 3.071 4.463 0.003 20 0 "[ . 1 . 2]" 1
255 1 39 LEU MD1 1 43 LEU MD2 . . 3.720 3.532 3.231 3.720 0.000 20 0 "[ . 1 . 2]" 1
256 1 39 LEU MD1 1 43 LEU MD1 . . 3.940 3.165 2.476 3.951 0.011 16 0 "[ . 1 . 2]" 1
257 1 39 LEU MD2 1 43 LEU MD2 . . 3.720 2.879 2.160 3.454 . 0 0 "[ . 1 . 2]" 1
258 1 39 LEU MD2 1 43 LEU MD1 . . 3.940 3.173 2.193 3.945 0.005 4 0 "[ . 1 . 2]" 1
259 1 40 ALA HA 1 41 SER HA . . 4.980 4.775 4.730 4.809 . 0 0 "[ . 1 . 2]" 1
260 1 40 ALA HA 1 43 LEU MD2 . . 4.220 3.636 3.289 3.882 . 0 0 "[ . 1 . 2]" 1
261 1 40 ALA HA 1 43 LEU MD1 . . 5.140 4.971 4.648 5.137 . 0 0 "[ . 1 . 2]" 1
262 1 40 ALA HA 1 43 LEU HB3 . . 4.730 3.251 2.945 3.604 . 0 0 "[ . 1 . 2]" 1
263 1 40 ALA HA 1 63 VAL MG1 . . 3.980 2.422 1.974 2.853 . 0 0 "[ . 1 . 2]" 1
264 1 40 ALA HA 1 63 VAL MG2 . . 3.980 2.224 1.944 3.008 . 0 0 "[ . 1 . 2]" 1
265 1 17 LEU MD2 1 40 ALA MB . . 5.200 4.762 4.197 5.205 0.005 8 0 "[ . 1 . 2]" 1
266 1 40 ALA MB 1 43 LEU MD2 . . 5.480 4.590 4.246 4.827 . 0 0 "[ . 1 . 2]" 1
267 1 40 ALA MB 1 59 PHE QE . . 4.640 3.355 2.298 4.599 . 0 0 "[ . 1 . 2]" 1
268 1 40 ALA MB 1 59 PHE QD . . 3.990 2.897 2.041 3.703 . 0 0 "[ . 1 . 2]" 1
269 1 40 ALA MB 1 60 ARG HA . . 3.270 2.422 1.980 2.994 . 0 0 "[ . 1 . 2]" 1
270 1 60 ARG HA 1 60 ARG QG . . 3.700 2.342 2.125 2.615 . 0 0 "[ . 1 . 2]" 1
271 1 40 ALA MB 1 60 ARG HB3 . . 4.740 4.170 3.509 4.733 . 0 0 "[ . 1 . 2]" 1
272 1 40 ALA MB 1 60 ARG QD . . 3.900 2.848 1.925 3.906 0.006 6 0 "[ . 1 . 2]" 1
273 1 40 ALA MB 1 63 VAL MG1 . . 3.470 2.297 1.698 2.714 . 0 0 "[ . 1 . 2]" 1
274 1 40 ALA MB 1 63 VAL MG2 . . 3.470 2.086 1.837 3.365 . 0 0 "[ . 1 . 2]" 1
275 1 41 SER QB 1 45 ARG QB . . 4.520 4.214 3.868 4.514 . 0 0 "[ . 1 . 2]" 1
276 1 41 SER QB 1 45 ARG QD . . 5.160 4.056 2.857 5.024 . 0 0 "[ . 1 . 2]" 1
277 1 42 ASP HA 1 46 LEU HG . . 4.930 4.851 4.726 4.946 0.016 16 0 "[ . 1 . 2]" 1
278 1 38 ILE MG 1 42 ASP HB2 . . 4.900 3.590 3.209 3.949 . 0 0 "[ . 1 . 2]" 1
279 1 43 LEU HA 1 46 LEU MD1 . . 3.560 2.720 2.496 2.928 . 0 0 "[ . 1 . 2]" 1
280 1 43 LEU HA 1 46 LEU HB3 . . 5.240 4.769 4.582 4.879 . 0 0 "[ . 1 . 2]" 1
281 1 43 LEU HA 1 46 LEU HB2 . . 5.240 5.100 4.821 5.242 0.002 2 0 "[ . 1 . 2]" 1
282 1 43 LEU HA 1 47 TYR QD . . 4.340 4.184 3.882 4.339 . 0 0 "[ . 1 . 2]" 1
283 1 24 TYR QD 1 43 LEU HA . . 5.080 4.721 4.414 4.989 . 0 0 "[ . 1 . 2]" 1
284 1 43 LEU HA 1 51 TYR QD . . 5.500 4.887 4.400 5.416 . 0 0 "[ . 1 . 2]" 1
285 1 43 LEU HB3 1 46 LEU MD1 . . 4.910 4.616 4.220 4.900 . 0 0 "[ . 1 . 2]" 1
286 1 43 LEU HB2 1 46 LEU MD1 . . 5.190 4.823 4.482 5.058 . 0 0 "[ . 1 . 2]" 1
287 1 43 LEU HB2 1 46 LEU MD2 . . 4.760 4.110 4.011 4.385 . 0 0 "[ . 1 . 2]" 1
288 1 21 VAL MG2 1 43 LEU HB2 . . 4.060 3.961 3.746 4.064 0.004 16 0 "[ . 1 . 2]" 1
289 1 43 LEU HB3 1 47 TYR HB2 . . 5.330 4.944 4.706 5.330 0.000 2 0 "[ . 1 . 2]" 1
290 1 43 LEU HB3 1 51 TYR QD . . 5.470 3.958 2.726 4.505 . 0 0 "[ . 1 . 2]" 1
291 1 24 TYR QD 1 43 LEU HB2 . . 5.430 5.409 5.278 5.440 0.010 9 0 "[ . 1 . 2]" 1
292 1 43 LEU HB3 1 59 PHE QE . . 4.640 2.815 1.979 3.712 . 0 0 "[ . 1 . 2]" 1
293 1 43 LEU MD1 1 46 LEU HG . . 4.360 3.791 3.588 3.932 . 0 0 "[ . 1 . 2]" 1
294 1 43 LEU MD2 1 46 LEU MD2 . . 4.920 4.683 4.444 4.820 . 0 0 "[ . 1 . 2]" 1
295 1 43 LEU MD1 1 46 LEU MD2 . . 3.000 2.469 2.090 2.703 . 0 0 "[ . 1 . 2]" 1
296 1 43 LEU MD2 1 51 TYR QD . . 5.330 3.942 3.080 4.585 . 0 0 "[ . 1 . 2]" 1
297 1 43 LEU MD2 1 59 PHE QE . . 4.660 3.394 2.824 3.782 . 0 0 "[ . 1 . 2]" 1
298 1 43 LEU MD2 1 63 VAL MG2 . . 4.110 2.732 2.030 3.050 . 0 0 "[ . 1 . 2]" 1
299 1 43 LEU MD1 1 47 TYR QD . . 3.950 3.393 3.077 3.673 . 0 0 "[ . 1 . 2]" 1
300 1 43 LEU MD1 1 47 TYR QE . . 4.010 3.937 3.570 4.016 0.006 8 0 "[ . 1 . 2]" 1
301 1 43 LEU MD2 1 63 VAL MG1 . . 4.110 3.121 2.685 3.829 . 0 0 "[ . 1 . 2]" 1
302 1 43 LEU MD1 1 63 VAL MG1 . . 5.500 4.584 4.177 5.514 0.014 8 0 "[ . 1 . 2]" 1
303 1 43 LEU MD1 1 63 VAL MG2 . . 5.500 4.708 3.661 5.037 . 0 0 "[ . 1 . 2]" 1
304 1 44 GLN HA 1 48 SER HA . . 4.270 3.900 3.375 4.275 0.005 9 0 "[ . 1 . 2]" 1
305 1 44 GLN HA 1 51 TYR QB . . 3.950 2.552 1.934 3.113 . 0 0 "[ . 1 . 2]" 1
306 1 44 GLN HA 1 51 TYR QD . . 4.790 3.194 2.132 3.973 . 0 0 "[ . 1 . 2]" 1
307 1 44 GLN HA 1 59 PHE QE . . 4.710 3.685 2.971 4.427 . 0 0 "[ . 1 . 2]" 1
308 1 44 GLN HG2 1 51 TYR QB . . 5.500 4.187 2.391 5.500 0.000 20 0 "[ . 1 . 2]" 1
309 1 44 GLN HG3 1 51 TYR QB . . 5.500 4.006 2.309 5.498 . 0 0 "[ . 1 . 2]" 1
310 1 45 ARG HA 1 48 SER QB . . 3.990 3.381 2.869 3.995 0.005 20 0 "[ . 1 . 2]" 1
311 1 47 TYR HA 1 51 TYR QB . . 5.210 4.768 4.312 5.161 . 0 0 "[ . 1 . 2]" 1
312 1 47 TYR HB3 1 50 ASP HA . . 4.920 4.913 4.773 4.927 0.007 9 0 "[ . 1 . 2]" 1
313 1 47 TYR HB3 1 50 ASP HB3 . . 3.890 2.872 2.061 3.891 0.001 2 0 "[ . 1 . 2]" 1
314 1 47 TYR HB3 1 50 ASP HB2 . . 3.890 2.722 2.136 3.587 . 0 0 "[ . 1 . 2]" 1
315 1 47 TYR HB3 1 51 TYR HA . . 4.890 4.656 4.355 4.893 0.003 18 0 "[ . 1 . 2]" 1
316 1 47 TYR HB2 1 51 TYR QD . . 4.700 2.334 1.983 3.149 . 0 0 "[ . 1 . 2]" 1
317 1 47 TYR HB3 1 51 TYR QD . . 4.480 2.560 2.125 3.013 . 0 0 "[ . 1 . 2]" 1
318 1 48 SER HA 1 52 GLY HA2 . . 4.590 3.373 2.217 4.590 . 0 0 "[ . 1 . 2]" 1
319 1 48 SER HA 1 52 GLY HA3 . . 4.590 3.004 1.989 4.594 0.004 2 0 "[ . 1 . 2]" 1
320 1 51 TYR HA 1 59 PHE QE . . 5.020 4.349 3.106 4.824 . 0 0 "[ . 1 . 2]" 1
321 1 51 TYR QB 1 59 PHE QE . . 4.280 3.065 2.756 3.359 . 0 0 "[ . 1 . 2]" 1
322 1 51 TYR QB 1 59 PHE QD . . 4.760 3.857 2.435 4.775 0.015 2 0 "[ . 1 . 2]" 1
323 1 51 TYR QE 1 59 PHE QE . . 3.280 3.133 2.758 3.302 0.022 8 0 "[ . 1 . 2]" 1
324 1 55 LYS HB3 1 58 ALA MB . . 3.620 2.168 1.776 3.176 . 0 0 "[ . 1 . 2]" 1
325 1 55 LYS HB2 1 58 ALA MB . . 3.620 2.721 1.805 3.458 . 0 0 "[ . 1 . 2]" 1
326 1 55 LYS QG 1 58 ALA MB . . 2.730 2.387 1.930 2.758 0.028 13 0 "[ . 1 . 2]" 1
327 1 55 LYS QD 1 58 ALA HA . . 5.000 4.374 3.461 4.762 . 0 0 "[ . 1 . 2]" 1
328 1 55 LYS QD 1 58 ALA MB . . 3.230 1.944 1.812 2.145 . 0 0 "[ . 1 . 2]" 1
329 1 57 ASN HA 1 60 ARG HB3 . . 4.750 4.060 3.128 4.618 . 0 0 "[ . 1 . 2]" 1
330 1 57 ASN HA 1 60 ARG HB2 . . 4.510 2.780 2.480 3.086 . 0 0 "[ . 1 . 2]" 1
331 1 57 ASN QB 1 61 ILE MD . . 4.730 3.018 2.358 3.368 . 0 0 "[ . 1 . 2]" 1
332 1 58 ALA HA 1 61 ILE MG . . 4.490 4.402 4.293 4.496 0.006 1 0 "[ . 1 . 2]" 1
333 1 58 ALA HA 1 61 ILE MD . . 3.760 1.987 1.834 2.403 . 0 0 "[ . 1 . 2]" 1
334 1 58 ALA MB 1 61 ILE MD . . 4.230 3.309 3.106 3.628 . 0 0 "[ . 1 . 2]" 1
335 1 60 ARG HA 1 63 VAL MG1 . . 4.600 4.247 1.957 4.605 0.005 2 0 "[ . 1 . 2]" 1
336 1 60 ARG HA 1 63 VAL MG2 . . 4.600 3.120 2.655 4.563 . 0 0 "[ . 1 . 2]" 1
337 1 61 ILE HA 1 64 GLU HB2 . . 3.970 2.408 2.035 2.640 . 0 0 "[ . 1 . 2]" 1
338 1 61 ILE HA 1 64 GLU HB3 . . 4.340 3.910 3.486 4.180 . 0 0 "[ . 1 . 2]" 1
339 1 61 ILE HA 1 65 LYS QB . . 5.310 5.027 4.687 5.216 . 0 0 "[ . 1 . 2]" 1
340 1 61 ILE HA 1 65 LYS QD . . 4.530 3.775 3.331 4.381 . 0 0 "[ . 1 . 2]" 1
341 1 61 ILE HA 1 65 LYS QE . . 4.620 4.277 3.287 4.621 0.001 6 0 "[ . 1 . 2]" 1
342 1 61 ILE MG 1 64 GLU HB2 . . 3.700 3.457 3.253 3.693 . 0 0 "[ . 1 . 2]" 1
343 1 61 ILE MG 1 64 GLU HB3 . . 4.680 4.460 4.128 4.681 0.001 19 0 "[ . 1 . 2]" 1
344 1 61 ILE MG 1 65 LYS HA . . 5.500 5.336 5.057 5.502 0.002 8 0 "[ . 1 . 2]" 1
345 1 61 ILE MG 1 65 LYS QB . . 3.680 3.620 3.391 3.688 0.008 20 0 "[ . 1 . 2]" 1
346 1 61 ILE MG 1 65 LYS QG . . 4.000 3.740 3.370 3.978 . 0 0 "[ . 1 . 2]" 1
347 1 61 ILE MG 1 65 LYS QD . . 3.440 2.549 2.098 3.351 . 0 0 "[ . 1 . 2]" 1
348 1 61 ILE MG 1 65 LYS QE . . 4.560 2.421 1.797 3.261 . 0 0 "[ . 1 . 2]" 1
349 1 62 GLN HA 1 65 LYS QB . . 3.680 3.178 2.989 3.573 . 0 0 "[ . 1 . 2]" 1
350 1 62 GLN HA 1 65 LYS QD . . 4.870 4.426 3.953 4.873 0.003 13 0 "[ . 1 . 2]" 1
351 1 61 ILE MG 1 62 GLN HA . . 4.720 3.695 3.502 3.811 . 0 0 "[ . 1 . 2]" 1
352 1 62 GLN HA 1 66 VAL MG2 . . 5.120 3.580 3.364 3.737 . 0 0 "[ . 1 . 2]" 1
353 1 62 GLN QB 1 65 LYS QB . . 5.330 4.902 4.625 5.222 . 0 0 "[ . 1 . 2]" 1
354 1 62 GLN QB 1 66 VAL MG2 . . 3.540 3.148 2.864 3.471 . 0 0 "[ . 1 . 2]" 1
355 1 63 VAL HA 1 66 VAL MG1 . . 3.610 3.365 3.211 3.505 . 0 0 "[ . 1 . 2]" 1
356 1 21 VAL MG2 1 63 VAL HA . . 4.270 3.999 3.673 4.207 . 0 0 "[ . 1 . 2]" 1
357 1 63 VAL HA 1 66 VAL MG2 . . 4.450 3.282 2.804 3.556 . 0 0 "[ . 1 . 2]" 1
358 1 64 GLU HA 1 67 PHE HB2 . . 3.940 3.684 3.557 3.830 . 0 0 "[ . 1 . 2]" 1
359 1 64 GLU HA 1 67 PHE HB3 . . 4.220 3.214 2.997 3.634 . 0 0 "[ . 1 . 2]" 1
360 1 67 PHE HB3 1 68 SER QB . . 5.030 4.154 3.797 4.694 . 0 0 "[ . 1 . 2]" 1
361 1 65 LYS HA 1 65 LYS QD . . 3.940 2.503 2.317 2.692 . 0 0 "[ . 1 . 2]" 1
362 1 65 LYS QB 1 69 ILE MG . . 4.730 4.086 3.960 4.197 . 0 0 "[ . 1 . 2]" 1
363 1 18 LYS HB2 1 66 VAL HA . . 4.730 4.198 3.964 4.426 . 0 0 "[ . 1 . 2]" 1
364 1 66 VAL HA 1 69 ILE QG . . 5.180 4.757 4.705 4.874 . 0 0 "[ . 1 . 2]" 1
365 1 66 VAL HA 1 69 ILE MD . . 3.990 3.965 3.850 3.995 0.005 9 0 "[ . 1 . 2]" 1
366 1 66 VAL HA 1 70 ILE MG . . 4.100 3.429 3.395 3.476 . 0 0 "[ . 1 . 2]" 1
367 1 66 VAL HA 1 69 ILE MG . . 3.400 1.805 1.790 1.836 . 0 0 "[ . 1 . 2]" 1
368 1 66 VAL HA 1 70 ILE MD . . 5.290 4.994 4.883 5.082 . 0 0 "[ . 1 . 2]" 1
369 1 18 LYS HA 1 66 VAL MG1 . . 3.490 1.841 1.823 1.864 . 0 0 "[ . 1 . 2]" 1
370 1 66 VAL MG1 1 70 ILE HA . . 4.810 4.673 4.432 4.807 . 0 0 "[ . 1 . 2]" 1
371 1 66 VAL MG1 1 70 ILE MG . . 3.170 2.011 1.866 2.115 . 0 0 "[ . 1 . 2]" 1
372 1 66 VAL MG1 1 69 ILE MG . . 3.110 2.837 2.721 2.889 . 0 0 "[ . 1 . 2]" 1
373 1 66 VAL MG1 1 70 ILE QG . . 4.360 3.571 3.531 3.602 . 0 0 "[ . 1 . 2]" 1
374 1 66 VAL MG1 1 70 ILE MD . . 3.050 2.919 2.789 3.052 0.002 6 0 "[ . 1 . 2]" 1
375 1 66 VAL MG2 1 69 ILE MG . . 2.930 2.952 2.943 2.962 0.032 17 0 "[ . 1 . 2]" 1
376 1 67 PHE HA 1 70 ILE MG . . 4.340 3.273 3.184 3.387 . 0 0 "[ . 1 . 2]" 1
377 1 67 PHE HA 1 70 ILE QG . . 4.350 2.204 2.100 2.285 . 0 0 "[ . 1 . 2]" 1
378 1 67 PHE HA 1 70 ILE MD . . 3.700 1.955 1.898 2.029 . 0 0 "[ . 1 . 2]" 1
379 1 36 THR MG 1 67 PHE HB3 . . 4.380 2.084 1.921 2.461 . 0 0 "[ . 1 . 2]" 1
380 1 67 PHE QD 1 70 ILE MD . . 4.630 2.635 2.121 3.017 . 0 0 "[ . 1 . 2]" 1
381 1 68 SER HA 1 71 SER HB3 . . 5.030 4.518 3.250 5.038 0.008 20 0 "[ . 1 . 2]" 1
382 1 68 SER HA 1 71 SER HB2 . . 5.030 4.272 3.623 4.947 . 0 0 "[ . 1 . 2]" 1
383 1 69 ILE HA 1 72 SER QB . . 3.950 2.886 2.565 3.225 . 0 0 "[ . 1 . 2]" 1
384 1 69 ILE HA 1 73 GLU HA . . 5.500 5.505 5.378 5.540 0.040 2 0 "[ . 1 . 2]" 1
385 1 69 ILE QG 1 73 GLU HA . . 5.180 4.344 4.181 4.472 . 0 0 "[ . 1 . 2]" 1
386 1 69 ILE QG 1 73 GLU HB3 . . 4.560 3.404 2.338 3.741 . 0 0 "[ . 1 . 2]" 1
387 1 69 ILE QG 1 73 GLU HB2 . . 4.560 2.302 1.969 2.667 . 0 0 "[ . 1 . 2]" 1
388 1 70 ILE HA 1 74 LYS HA . . 5.500 5.454 5.246 5.545 0.045 9 0 "[ . 1 . 2]" 1
389 1 70 ILE HA 1 74 LYS QD . . 4.390 3.303 2.104 3.839 . 0 0 "[ . 1 . 2]" 1
390 1 70 ILE HA 1 74 LYS QE . . 4.410 4.057 2.945 4.412 0.002 17 0 "[ . 1 . 2]" 1
391 1 74 LYS HA 1 74 LYS QD . . 3.930 2.360 2.034 3.039 . 0 0 "[ . 1 . 2]" 1
392 1 22 ILE HG12 1 70 ILE MG . . 4.230 4.212 4.084 4.241 0.011 6 0 "[ . 1 . 2]" 1
393 1 70 ILE MG 1 74 LYS QE . . 4.370 3.776 2.859 4.128 . 0 0 "[ . 1 . 2]" 1
394 1 71 SER HA 1 75 GLU HA . . 4.050 3.689 3.155 4.053 0.003 9 0 "[ . 1 . 2]" 1
395 1 71 SER HB3 1 75 GLU HA . . 5.500 5.141 4.529 5.504 0.004 17 0 "[ . 1 . 2]" 1
396 1 71 SER HB2 1 75 GLU HA . . 5.500 5.022 4.404 5.502 0.002 12 0 "[ . 1 . 2]" 1
397 1 25 LEU MD2 1 67 PHE QD . . 4.640 3.578 3.058 3.891 . 0 0 "[ . 1 . 2]" 1
398 1 25 LEU MD1 1 67 PHE QE . . 4.950 4.245 3.222 4.738 . 0 0 "[ . 1 . 2]" 1
399 1 36 THR H 1 37 GLY H . . 3.980 2.882 2.798 2.944 . 0 0 "[ . 1 . 2]" 1
400 1 26 SER H 1 26 SER QB . . 3.140 2.265 2.083 2.618 . 0 0 "[ . 1 . 2]" 1
401 1 69 ILE MG 1 71 SER H . . 4.620 4.165 4.139 4.231 . 0 0 "[ . 1 . 2]" 1
402 1 70 ILE MD 1 71 SER H . . 4.820 3.816 3.707 3.854 . 0 0 "[ . 1 . 2]" 1
403 1 67 PHE HA 1 71 SER H . . 4.740 4.571 4.452 4.710 . 0 0 "[ . 1 . 2]" 1
404 1 65 LYS QD 1 68 SER H . . 5.500 5.369 5.145 5.503 0.003 15 0 "[ . 1 . 2]" 1
405 1 18 LYS H 1 19 GLN H . . 3.400 2.607 2.557 2.640 . 0 0 "[ . 1 . 2]" 1
406 1 19 GLN H 1 22 ILE HG12 . . 4.130 4.136 4.125 4.144 0.014 5 0 "[ . 1 . 2]" 1
407 1 19 GLN H 1 22 ILE MG . . 4.530 4.386 4.303 4.495 . 0 0 "[ . 1 . 2]" 1
408 1 43 LEU HB2 1 44 GLN H . . 4.100 3.474 3.309 3.572 . 0 0 "[ . 1 . 2]" 1
409 1 44 GLN H 1 44 GLN HG2 . . 4.630 3.609 2.113 4.592 . 0 0 "[ . 1 . 2]" 1
410 1 45 ARG H 1 45 ARG QG . . 4.860 3.794 2.957 4.058 . 0 0 "[ . 1 . 2]" 1
411 1 44 GLN H 1 59 PHE QE . . 4.540 3.070 2.095 4.543 0.003 9 0 "[ . 1 . 2]" 1
412 1 18 LYS H 1 66 VAL MG2 . . 4.060 2.954 2.822 3.156 . 0 0 "[ . 1 . 2]" 1
413 1 18 LYS H 1 18 LYS HG2 . . 4.550 4.467 4.428 4.515 . 0 0 "[ . 1 . 2]" 1
414 1 18 LYS H 1 69 ILE MG . . 5.480 5.434 5.300 5.496 0.016 3 0 "[ . 1 . 2]" 1
415 1 50 ASP H 1 51 TYR H . . 3.420 2.596 2.361 2.847 . 0 0 "[ . 1 . 2]" 1
416 1 60 ARG H 1 61 ILE H . . 3.510 2.694 2.550 2.822 . 0 0 "[ . 1 . 2]" 1
417 1 36 THR H 1 36 THR MG . . 3.510 2.320 1.973 3.002 . 0 0 "[ . 1 . 2]" 1
418 1 35 ASP HA 1 36 THR H . . 3.280 2.617 2.468 2.740 . 0 0 "[ . 1 . 2]" 1
419 1 47 TYR H 1 47 TYR QD . . 3.830 3.832 3.798 3.843 0.013 16 0 "[ . 1 . 2]" 1
420 1 55 LYS QE 1 59 PHE H . . 5.500 5.203 3.867 5.522 0.022 4 0 "[ . 1 . 2]" 1
421 1 21 VAL MG1 1 25 LEU H . . 3.800 3.741 3.659 3.787 . 0 0 "[ . 1 . 2]" 1
422 1 55 LYS QD 1 59 PHE H . . 4.950 4.359 3.594 4.961 0.011 10 0 "[ . 1 . 2]" 1
423 1 11 VAL H 1 11 VAL MG1 . . 4.510 3.137 2.179 3.996 . 0 0 "[ . 1 . 2]" 1
424 1 11 VAL H 1 11 VAL MG2 . . 4.510 2.513 1.927 4.062 . 0 0 "[ . 1 . 2]" 1
425 1 75 GLU H 1 75 GLU HB2 . . 4.120 3.346 3.064 3.937 . 0 0 "[ . 1 . 2]" 1
426 1 18 LYS HB3 1 20 ARG H . . 5.220 4.942 4.850 5.094 . 0 0 "[ . 1 . 2]" 1
427 1 20 ARG H 1 20 ARG HB2 . . 3.340 2.242 2.137 2.374 . 0 0 "[ . 1 . 2]" 1
428 1 20 ARG H 1 20 ARG HB3 . . 3.690 2.873 2.696 3.049 . 0 0 "[ . 1 . 2]" 1
429 1 60 ARG H 1 62 GLN H . . 4.540 4.136 3.955 4.394 . 0 0 "[ . 1 . 2]" 1
430 1 63 VAL H 1 66 VAL HB . . 4.590 4.542 4.433 4.605 0.015 3 0 "[ . 1 . 2]" 1
431 1 40 ALA MB 1 43 LEU H . . 4.920 4.740 4.597 4.884 . 0 0 "[ . 1 . 2]" 1
432 1 69 ILE MG 1 70 ILE H . . 3.370 1.914 1.881 1.972 . 0 0 "[ . 1 . 2]" 1
433 1 66 VAL MG1 1 70 ILE H . . 4.060 3.626 3.477 3.701 . 0 0 "[ . 1 . 2]" 1
434 1 40 ALA MB 1 63 VAL H . . 4.650 4.005 3.677 4.510 . 0 0 "[ . 1 . 2]" 1
435 1 43 LEU H 1 43 LEU HB2 . . 3.240 2.128 2.072 2.183 . 0 0 "[ . 1 . 2]" 1
436 1 46 LEU H 1 46 LEU MD1 . . 3.970 3.510 3.394 3.593 . 0 0 "[ . 1 . 2]" 1
437 1 65 LYS H 1 66 VAL HB . . 4.580 4.514 4.467 4.580 . 17 0 "[ . 1 . 2]" 1
438 1 22 ILE H 1 22 ILE MG . . 3.400 2.247 2.067 2.357 . 0 0 "[ . 1 . 2]" 1
439 1 21 VAL MG1 1 22 ILE H . . 3.870 2.880 2.805 2.941 . 0 0 "[ . 1 . 2]" 1
440 1 36 THR MG 1 67 PHE H . . 4.190 3.914 3.571 4.191 0.001 12 0 "[ . 1 . 2]" 1
441 1 67 PHE H 1 70 ILE MD . . 4.630 4.204 4.139 4.271 . 0 0 "[ . 1 . 2]" 1
442 1 73 GLU H 1 73 GLU HB2 . . 3.590 2.216 2.063 2.574 . 0 0 "[ . 1 . 2]" 1
443 1 76 LEU H 1 76 LEU QB . . 3.500 2.500 2.123 3.400 . 0 0 "[ . 1 . 2]" 1
444 1 20 ARG HB2 1 21 VAL H . . 3.900 3.592 3.446 3.738 . 0 0 "[ . 1 . 2]" 1
445 1 20 ARG HB3 1 21 VAL H . . 4.510 2.634 2.497 2.737 . 0 0 "[ . 1 . 2]" 1
446 1 55 LYS H 1 55 LYS QD . . 4.810 4.282 3.432 4.810 . 0 0 "[ . 1 . 2]" 1
447 1 13 VAL HB 1 14 ASP H . . 4.740 3.242 1.941 4.657 . 0 0 "[ . 1 . 2]" 1
448 1 35 ASP H 1 38 ILE MD . . 3.880 2.127 1.899 3.039 . 0 0 "[ . 1 . 2]" 1
449 1 7 PRO HA 1 8 ARG H . . 3.310 2.579 2.161 3.329 0.019 7 0 "[ . 1 . 2]" 1
450 1 11 VAL H 1 11 VAL HB . . 3.720 3.355 2.614 3.718 . 0 0 "[ . 1 . 2]" 1
451 1 12 PHE QB 1 13 VAL H . . 4.370 2.798 1.847 4.006 . 0 0 "[ . 1 . 2]" 1
452 1 13 VAL H 1 13 VAL HB . . 3.940 3.323 2.614 3.708 . 0 0 "[ . 1 . 2]" 1
453 1 13 VAL H 1 13 VAL MG1 . . 4.320 3.445 2.203 4.024 . 0 0 "[ . 1 . 2]" 1
454 1 13 VAL H 1 13 VAL MG2 . . 4.320 2.714 2.005 4.053 . 0 0 "[ . 1 . 2]" 1
455 1 12 PHE HA 1 15 ARG H . . 5.500 4.731 2.946 5.527 0.027 14 0 "[ . 1 . 2]" 1
456 1 11 VAL HA 1 15 ARG H . . 5.450 4.689 3.763 5.452 0.002 2 0 "[ . 1 . 2]" 1
457 1 40 ALA H 1 40 ALA MB . . 3.000 2.172 2.077 2.233 . 0 0 "[ . 1 . 2]" 1
458 1 38 ILE H 1 40 ALA H . . 4.830 4.100 3.948 4.233 . 0 0 "[ . 1 . 2]" 1
459 1 39 LEU HG 1 40 ALA H . . 5.130 4.278 3.507 5.084 . 0 0 "[ . 1 . 2]" 1
460 1 36 THR HA 1 40 ALA H . . 4.370 4.065 3.540 4.283 . 0 0 "[ . 1 . 2]" 1
461 1 58 ALA H 1 58 ALA MB . . 2.900 2.124 2.025 2.235 . 0 0 "[ . 1 . 2]" 1
462 1 58 ALA H 1 59 PHE H . . 3.400 2.792 2.729 2.894 . 0 0 "[ . 1 . 2]" 1
463 1 55 LYS QD 1 58 ALA H . . 4.450 3.592 1.797 4.458 0.008 18 0 "[ . 1 . 2]" 1
464 1 57 ASN QB 1 58 ALA H . . 3.750 2.793 2.399 3.400 . 0 0 "[ . 1 . 2]" 1
465 1 58 ALA H 1 60 ARG H . . 4.710 4.172 3.993 4.355 . 0 0 "[ . 1 . 2]" 1
466 1 35 ASP H 1 38 ILE HB . . 4.280 2.041 1.877 2.433 . 0 0 "[ . 1 . 2]" 1
467 1 34 VAL HA 1 35 ASP H . . 3.010 2.183 2.140 2.319 . 0 0 "[ . 1 . 2]" 1
468 1 34 VAL HB 1 35 ASP H . . 4.720 4.238 3.470 4.566 . 0 0 "[ . 1 . 2]" 1
469 1 34 VAL H 1 35 ASP H . . 4.790 4.406 4.096 4.638 . 0 0 "[ . 1 . 2]" 1
470 1 40 ALA H 1 42 ASP H . . 4.590 4.213 3.914 4.406 . 0 0 "[ . 1 . 2]" 1
471 1 38 ILE HA 1 42 ASP H . . 4.620 4.240 3.926 4.445 . 0 0 "[ . 1 . 2]" 1
472 1 39 LEU HA 1 42 ASP H . . 4.380 3.498 3.316 3.717 . 0 0 "[ . 1 . 2]" 1
473 1 39 LEU H 1 42 ASP H . . 5.070 4.806 4.694 4.957 . 0 0 "[ . 1 . 2]" 1
474 1 42 ASP H 1 43 LEU H . . 3.460 2.633 2.494 2.787 . 0 0 "[ . 1 . 2]" 1
475 1 42 ASP H 1 44 GLN H . . 4.510 4.105 3.952 4.407 . 0 0 "[ . 1 . 2]" 1
476 1 41 SER H 1 42 ASP H . . 3.360 2.674 2.508 2.813 . 0 0 "[ . 1 . 2]" 1
477 1 41 SER QB 1 42 ASP H . . 3.570 2.614 2.369 2.843 . 0 0 "[ . 1 . 2]" 1
478 1 48 SER H 1 50 ASP H . . 4.480 4.080 3.815 4.366 . 0 0 "[ . 1 . 2]" 1
479 1 49 VAL HB 1 50 ASP H . . 3.980 3.473 2.540 3.994 0.014 19 0 "[ . 1 . 2]" 1
480 1 49 VAL H 1 50 ASP H . . 4.560 2.515 2.444 2.654 . 0 0 "[ . 1 . 2]" 1
481 1 47 TYR HA 1 50 ASP H . . 4.770 3.318 3.177 3.486 . 0 0 "[ . 1 . 2]" 1
482 1 61 ILE HA 1 64 GLU H . . 3.960 3.401 3.315 3.471 . 0 0 "[ . 1 . 2]" 1
483 1 64 GLU H 1 65 LYS H . . 3.410 2.723 2.644 2.800 . 0 0 "[ . 1 . 2]" 1
484 1 60 ARG HA 1 64 GLU H . . 4.380 4.174 3.945 4.372 . 0 0 "[ . 1 . 2]" 1
485 1 40 ALA MB 1 64 GLU H . . 4.800 4.367 3.928 4.658 . 0 0 "[ . 1 . 2]" 1
486 1 63 VAL HB 1 64 GLU H . . 4.030 2.877 2.659 4.029 . 0 0 "[ . 1 . 2]" 1
487 1 63 VAL H 1 64 GLU H . . 3.470 2.570 2.443 2.642 . 0 0 "[ . 1 . 2]" 1
488 1 73 GLU H 1 73 GLU HB3 . . 3.590 3.138 2.427 3.538 . 0 0 "[ . 1 . 2]" 1
489 1 69 ILE HA 1 73 GLU H . . 4.910 3.280 3.097 3.475 . 0 0 "[ . 1 . 2]" 1
490 1 70 ILE HA 1 73 GLU H . . 4.590 3.973 3.765 4.197 . 0 0 "[ . 1 . 2]" 1
491 1 73 GLU H 1 74 LYS H . . 3.600 2.768 2.625 2.892 . 0 0 "[ . 1 . 2]" 1
492 1 72 SER QB 1 73 GLU H . . 4.290 2.546 2.380 2.763 . 0 0 "[ . 1 . 2]" 1
493 1 73 GLU H 1 75 GLU H . . 4.460 4.219 3.700 4.433 . 0 0 "[ . 1 . 2]" 1
494 1 74 LYS H 1 75 GLU H . . 3.570 2.507 2.343 2.595 . 0 0 "[ . 1 . 2]" 1
495 1 74 LYS QB 1 75 GLU H . . 4.080 2.450 2.235 2.987 . 0 0 "[ . 1 . 2]" 1
496 1 71 SER HA 1 75 GLU H . . 4.680 3.087 2.689 3.447 . 0 0 "[ . 1 . 2]" 1
497 1 72 SER HA 1 75 GLU H . . 5.330 4.161 3.860 4.463 . 0 0 "[ . 1 . 2]" 1
498 1 58 ALA MB 1 59 PHE H . . 3.240 2.509 2.368 2.672 . 0 0 "[ . 1 . 2]" 1
499 1 59 PHE H 1 59 PHE QD . . 4.180 4.103 3.605 4.185 0.005 8 0 "[ . 1 . 2]" 1
500 1 59 PHE H 1 60 ARG H . . 3.470 2.703 2.551 2.777 . 0 0 "[ . 1 . 2]" 1
501 1 64 GLU HA 1 67 PHE H . . 4.000 3.680 3.533 3.806 . 0 0 "[ . 1 . 2]" 1
502 1 66 VAL HB 1 67 PHE H . . 3.670 2.967 2.948 2.991 . 0 0 "[ . 1 . 2]" 1
503 1 66 VAL H 1 67 PHE H . . 3.290 2.544 2.455 2.655 . 0 0 "[ . 1 . 2]" 1
504 1 35 ASP HA 1 37 GLY H . . 4.990 4.959 4.724 4.997 0.007 13 0 "[ . 1 . 2]" 1
505 1 37 GLY H 1 38 ILE HB . . 5.180 5.053 4.867 5.121 . 0 0 "[ . 1 . 2]" 1
506 1 37 GLY H 1 38 ILE H . . 3.170 2.681 2.629 2.734 . 0 0 "[ . 1 . 2]" 1
507 1 44 GLN HA 1 52 GLY H . . 4.400 3.812 3.255 4.335 . 0 0 "[ . 1 . 2]" 1
508 1 48 SER HA 1 52 GLY H . . 3.450 2.397 2.107 2.736 . 0 0 "[ . 1 . 2]" 1
509 1 48 SER QB 1 52 GLY H . . 4.710 4.260 3.916 4.483 . 0 0 "[ . 1 . 2]" 1
510 1 51 TYR H 1 52 GLY H . . 3.230 2.628 2.231 2.887 . 0 0 "[ . 1 . 2]" 1
511 1 51 TYR QB 1 52 GLY H . . 4.170 2.369 1.964 2.894 . 0 0 "[ . 1 . 2]" 1
512 1 22 ILE H 1 22 ILE HB . . 3.650 3.627 3.623 3.631 . 0 0 "[ . 1 . 2]" 1
513 1 19 GLN HA 1 22 ILE H . . 4.060 3.771 3.747 3.801 . 0 0 "[ . 1 . 2]" 1
514 1 20 ARG HA 1 22 ILE H . . 4.980 4.835 4.799 4.864 . 0 0 "[ . 1 . 2]" 1
515 1 20 ARG H 1 22 ILE H . . 4.510 4.371 4.312 4.418 . 0 0 "[ . 1 . 2]" 1
516 1 18 LYS HA 1 22 ILE H . . 4.170 3.725 3.680 3.828 . 0 0 "[ . 1 . 2]" 1
517 1 21 VAL HB 1 22 ILE H . . 3.600 2.549 2.524 2.577 . 0 0 "[ . 1 . 2]" 1
518 1 38 ILE H 1 38 ILE HB . . 3.250 2.595 2.416 2.633 . 0 0 "[ . 1 . 2]" 1
519 1 38 ILE H 1 39 LEU H . . 3.380 2.570 2.451 2.710 . 0 0 "[ . 1 . 2]" 1
520 1 38 ILE H 1 41 SER H . . 5.200 4.891 4.785 5.029 . 0 0 "[ . 1 . 2]" 1
521 1 36 THR HA 1 38 ILE H . . 4.740 4.398 4.247 4.735 . 0 0 "[ . 1 . 2]" 1
522 1 58 ALA HA 1 61 ILE H . . 4.000 3.508 3.446 3.684 . 0 0 "[ . 1 . 2]" 1
523 1 58 ALA MB 1 61 ILE H . . 4.880 4.625 4.560 4.781 . 0 0 "[ . 1 . 2]" 1
524 1 61 ILE H 1 61 ILE HB . . 3.090 2.624 2.608 2.643 . 0 0 "[ . 1 . 2]" 1
525 1 57 ASN HA 1 61 ILE H . . 4.540 4.370 4.064 4.515 . 0 0 "[ . 1 . 2]" 1
526 1 61 ILE H 1 62 GLN H . . 3.350 2.655 2.567 2.749 . 0 0 "[ . 1 . 2]" 1
527 1 60 ARG QG 1 61 ILE H . . 4.270 4.192 4.014 4.280 0.010 13 0 "[ . 1 . 2]" 1
528 1 68 SER QB 1 69 ILE H . . 3.750 2.968 2.671 3.519 . 0 0 "[ . 1 . 2]" 1
529 1 69 ILE H 1 69 ILE HB . . 3.170 2.471 2.438 2.484 . 0 0 "[ . 1 . 2]" 1
530 1 69 ILE H 1 70 ILE H . . 3.400 2.584 2.556 2.637 . 0 0 "[ . 1 . 2]" 1
531 1 65 LYS HA 1 69 ILE H . . 4.710 4.137 3.995 4.321 . 0 0 "[ . 1 . 2]" 1
532 1 68 SER HA 1 69 ILE H . . 3.560 3.508 3.500 3.520 . 0 0 "[ . 1 . 2]" 1
533 1 66 VAL HA 1 69 ILE H . . 3.780 3.404 3.317 3.438 . 0 0 "[ . 1 . 2]" 1
534 1 67 PHE HA 1 70 ILE H . . 4.030 3.786 3.725 3.839 . 0 0 "[ . 1 . 2]" 1
535 1 69 ILE HB 1 70 ILE H . . 3.780 3.778 3.757 3.794 0.014 6 0 "[ . 1 . 2]" 1
536 1 70 ILE H 1 70 ILE HB . . 3.720 3.625 3.618 3.631 . 0 0 "[ . 1 . 2]" 1
537 1 66 VAL HA 1 70 ILE H . . 3.840 3.670 3.597 3.763 . 0 0 "[ . 1 . 2]" 1
538 1 15 ARG HA 1 18 LYS H . . 4.070 3.408 3.366 3.470 . 0 0 "[ . 1 . 2]" 1
539 1 55 LYS H 1 58 ALA MB . . 5.040 4.734 4.290 5.058 0.018 18 0 "[ . 1 . 2]" 1
540 1 54 ARG QB 1 55 LYS H . . 3.940 2.799 1.930 3.932 . 0 0 "[ . 1 . 2]" 1
541 1 61 ILE HA 1 65 LYS H . . 4.280 4.083 3.833 4.221 . 0 0 "[ . 1 . 2]" 1
542 1 65 LYS H 1 65 LYS QB . . 2.970 2.132 2.086 2.202 . 0 0 "[ . 1 . 2]" 1
543 1 65 LYS H 1 65 LYS QD . . 3.980 2.341 2.155 2.512 . 0 0 "[ . 1 . 2]" 1
544 1 65 LYS H 1 65 LYS QG . . 3.790 3.667 3.548 3.767 . 0 0 "[ . 1 . 2]" 1
545 1 62 GLN HA 1 65 LYS H . . 4.030 3.707 3.587 3.939 . 0 0 "[ . 1 . 2]" 1
546 1 73 GLU HB3 1 74 LYS H . . 4.250 2.731 2.434 3.224 . 0 0 "[ . 1 . 2]" 1
547 1 74 LYS H 1 74 LYS QB . . 3.420 2.454 2.123 2.661 . 0 0 "[ . 1 . 2]" 1
548 1 74 LYS H 1 74 LYS QD . . 4.340 3.003 2.073 3.307 . 0 0 "[ . 1 . 2]" 1
549 1 74 LYS H 1 74 LYS QG . . 3.930 2.691 1.961 3.958 0.028 7 0 "[ . 1 . 2]" 1
550 1 71 SER HA 1 74 LYS H . . 4.590 4.197 4.082 4.342 . 0 0 "[ . 1 . 2]" 1
551 1 72 SER QB 1 74 LYS H . . 5.110 4.842 4.750 5.038 . 0 0 "[ . 1 . 2]" 1
552 1 49 VAL H 1 51 TYR H . . 4.890 4.402 3.953 4.895 0.005 19 0 "[ . 1 . 2]" 1
553 1 17 LEU H 1 19 GLN H . . 4.660 4.354 4.247 4.399 . 0 0 "[ . 1 . 2]" 1
554 1 22 ILE HA 1 25 LEU H . . 4.210 3.548 3.499 3.616 . 0 0 "[ . 1 . 2]" 1
555 1 25 LEU H 1 25 LEU HG . . 3.380 1.886 1.825 1.930 . 0 0 "[ . 1 . 2]" 1
556 1 21 VAL HA 1 25 LEU H . . 4.630 4.095 4.013 4.149 . 0 0 "[ . 1 . 2]" 1
557 1 39 LEU H 1 40 ALA H . . 3.480 2.697 2.597 2.764 . 0 0 "[ . 1 . 2]" 1
558 1 35 ASP HA 1 39 LEU H . . 5.210 4.669 4.479 4.883 . 0 0 "[ . 1 . 2]" 1
559 1 37 GLY H 1 39 LEU H . . 4.430 4.299 4.169 4.409 . 0 0 "[ . 1 . 2]" 1
560 1 38 ILE HB 1 39 LEU H . . 3.500 2.544 2.429 2.697 . 0 0 "[ . 1 . 2]" 1
561 1 39 LEU H 1 39 LEU HG . . 4.580 4.347 4.061 4.532 . 0 0 "[ . 1 . 2]" 1
562 1 39 LEU HA 1 43 LEU H . . 5.500 3.736 3.592 3.868 . 0 0 "[ . 1 . 2]" 1
563 1 43 LEU H 1 44 GLN H . . 3.420 2.725 2.653 2.838 . 0 0 "[ . 1 . 2]" 1
564 1 42 ASP HA 1 46 LEU H . . 4.600 3.994 3.793 4.134 . 0 0 "[ . 1 . 2]" 1
565 1 46 LEU H 1 46 LEU HG . . 3.430 1.894 1.801 1.959 . 0 0 "[ . 1 . 2]" 1
566 1 44 GLN HA 1 46 LEU H . . 4.600 4.545 4.442 4.601 0.001 6 0 "[ . 1 . 2]" 1
567 1 45 ARG H 1 46 LEU H . . 3.200 2.739 2.646 2.802 . 0 0 "[ . 1 . 2]" 1
568 1 45 ARG QB 1 46 LEU H . . 3.650 2.480 2.395 2.650 . 0 0 "[ . 1 . 2]" 1
569 1 46 LEU H 1 47 TYR QD . . 5.500 5.478 5.355 5.520 0.020 4 0 "[ . 1 . 2]" 1
570 1 75 GLU HA 1 76 LEU H . . 3.340 2.411 2.133 2.933 . 0 0 "[ . 1 . 2]" 1
571 1 25 LEU HA 1 28 ASN H . . 5.500 3.541 3.325 3.691 . 0 0 "[ . 1 . 2]" 1
572 1 27 SER H 1 28 ASN H . . 4.580 2.633 2.410 2.690 . 0 0 "[ . 1 . 2]" 1
573 1 24 TYR HA 1 28 ASN H . . 4.980 4.109 3.691 4.389 . 0 0 "[ . 1 . 2]" 1
574 1 16 LYS HA 1 19 GLN H . . 3.900 3.425 3.314 3.539 . 0 0 "[ . 1 . 2]" 1
575 1 19 GLN H 1 19 GLN QB . . 3.120 2.230 2.185 2.246 . 0 0 "[ . 1 . 2]" 1
576 1 15 ARG HA 1 19 GLN H . . 4.600 4.289 4.013 4.495 . 0 0 "[ . 1 . 2]" 1
577 1 22 ILE HB 1 23 GLN H . . 3.890 3.789 3.717 3.843 . 0 0 "[ . 1 . 2]" 1
578 1 22 ILE H 1 23 GLN H . . 3.470 2.770 2.742 2.799 . 0 0 "[ . 1 . 2]" 1
579 1 19 GLN HA 1 23 GLN H . . 4.240 4.136 4.061 4.213 . 0 0 "[ . 1 . 2]" 1
580 1 23 GLN H 1 23 GLN QB . . 3.190 2.278 2.170 2.416 . 0 0 "[ . 1 . 2]" 1
581 1 23 GLN H 1 23 GLN QG . . 3.890 2.686 2.340 2.957 . 0 0 "[ . 1 . 2]" 1
582 1 20 ARG H 1 23 GLN H . . 5.020 4.817 4.768 4.872 . 0 0 "[ . 1 . 2]" 1
583 1 40 ALA HA 1 44 GLN H . . 4.260 3.982 3.652 4.249 . 0 0 "[ . 1 . 2]" 1
584 1 41 SER HA 1 44 GLN H . . 4.010 3.725 3.582 3.838 . 0 0 "[ . 1 . 2]" 1
585 1 41 SER H 1 44 GLN H . . 5.070 4.769 4.539 4.935 . 0 0 "[ . 1 . 2]" 1
586 1 58 ALA HA 1 62 GLN H . . 5.420 4.300 4.032 4.467 . 0 0 "[ . 1 . 2]" 1
587 1 62 GLN H 1 64 GLU H . . 4.420 3.978 3.858 4.064 . 0 0 "[ . 1 . 2]" 1
588 1 59 PHE HA 1 62 GLN H . . 4.060 3.460 3.320 3.616 . 0 0 "[ . 1 . 2]" 1
589 1 61 ILE HB 1 62 GLN H . . 3.520 2.615 2.321 2.802 . 0 0 "[ . 1 . 2]" 1
590 1 62 GLN H 1 62 GLN QB . . 3.680 2.201 2.040 2.476 . 0 0 "[ . 1 . 2]" 1
591 1 62 GLN H 1 62 GLN QG . . 3.460 2.964 2.116 3.461 0.001 3 0 "[ . 1 . 2]" 1
592 1 62 GLN H 1 63 VAL H . . 3.430 2.725 2.649 2.793 . 0 0 "[ . 1 . 2]" 1
593 1 15 ARG H 1 15 ARG QB . . 3.840 2.167 2.063 2.239 . 0 0 "[ . 1 . 2]" 1
594 1 19 GLN H 1 20 ARG H . . 3.420 2.767 2.711 2.822 . 0 0 "[ . 1 . 2]" 1
595 1 19 GLN QB 1 20 ARG H . . 3.520 2.452 2.365 2.546 . 0 0 "[ . 1 . 2]" 1
596 1 20 ARG H 1 21 VAL H . . 3.530 2.655 2.622 2.694 . 0 0 "[ . 1 . 2]" 1
597 1 29 ARG H 1 30 CYS H . . 4.530 2.643 2.501 2.736 . 0 0 "[ . 1 . 2]" 1
598 1 25 LEU HA 1 29 ARG H . . 5.410 5.193 5.046 5.332 . 0 0 "[ . 1 . 2]" 1
599 1 29 ARG H 1 30 CYS HA . . 5.160 4.899 4.761 4.980 . 0 0 "[ . 1 . 2]" 1
600 1 42 ASP HA 1 45 ARG H . . 4.150 3.374 3.311 3.449 . 0 0 "[ . 1 . 2]" 1
601 1 45 ARG H 1 46 LEU HG . . 4.590 3.883 3.733 3.961 . 0 0 "[ . 1 . 2]" 1
602 1 44 GLN H 1 45 ARG H . . 3.510 2.507 2.480 2.550 . 0 0 "[ . 1 . 2]" 1
603 1 45 ARG H 1 45 ARG QB . . 3.520 2.143 2.040 2.250 . 0 0 "[ . 1 . 2]" 1
604 1 43 LEU HA 1 45 ARG H . . 4.640 4.430 4.301 4.611 . 0 0 "[ . 1 . 2]" 1
605 1 53 ARG QB 1 54 ARG H . . 4.700 2.785 1.920 4.042 . 0 0 "[ . 1 . 2]" 1
606 1 54 ARG H 1 54 ARG QB . . 3.320 2.652 2.054 3.340 0.020 4 0 "[ . 1 . 2]" 1
607 1 54 ARG H 1 54 ARG QG . . 3.790 3.146 2.207 3.683 . 0 0 "[ . 1 . 2]" 1
608 1 58 ALA MB 1 60 ARG H . . 4.950 4.464 4.351 4.630 . 0 0 "[ . 1 . 2]" 1
609 1 60 ARG H 1 61 ILE HA . . 5.500 5.298 5.183 5.394 . 0 0 "[ . 1 . 2]" 1
610 1 57 ASN HA 1 60 ARG H . . 4.000 3.502 3.252 3.700 . 0 0 "[ . 1 . 2]" 1
611 1 60 ARG H 1 60 ARG QD . . 4.420 4.181 3.599 4.397 . 0 0 "[ . 1 . 2]" 1
612 1 60 ARG H 1 60 ARG QG . . 4.260 2.945 2.381 4.012 . 0 0 "[ . 1 . 2]" 1
613 1 22 ILE HA 1 26 SER H . . 4.300 3.903 3.733 4.133 . 0 0 "[ . 1 . 2]" 1
614 1 25 LEU HG 1 26 SER H . . 4.260 3.954 3.903 4.059 . 0 0 "[ . 1 . 2]" 1
615 1 25 LEU H 1 26 SER H . . 3.440 2.568 2.501 2.628 . 0 0 "[ . 1 . 2]" 1
616 1 23 GLN HA 1 26 SER H . . 4.030 3.695 3.571 3.862 . 0 0 "[ . 1 . 2]" 1
617 1 26 SER H 1 27 SER H . . 3.360 2.747 2.623 2.827 . 0 0 "[ . 1 . 2]" 1
618 1 40 ALA H 1 41 SER H . . 3.220 2.781 2.704 2.898 . 0 0 "[ . 1 . 2]" 1
619 1 40 ALA MB 1 41 SER H . . 3.320 2.468 2.320 2.719 . 0 0 "[ . 1 . 2]" 1
620 1 38 ILE HA 1 41 SER H . . 4.000 3.652 3.454 3.867 . 0 0 "[ . 1 . 2]" 1
621 1 41 SER H 1 41 SER QB . . 3.150 2.312 2.085 2.793 . 0 0 "[ . 1 . 2]" 1
622 1 44 GLN HA 1 48 SER H . . 5.380 4.761 4.478 5.045 . 0 0 "[ . 1 . 2]" 1
623 1 45 ARG HA 1 48 SER H . . 4.370 4.253 3.952 4.372 0.002 7 0 "[ . 1 . 2]" 1
624 1 48 SER H 1 48 SER QB . . 3.380 2.484 2.107 2.888 . 0 0 "[ . 1 . 2]" 1
625 1 47 TYR HA 1 48 SER H . . 3.560 2.714 2.617 2.886 . 0 0 "[ . 1 . 2]" 1
626 1 47 TYR H 1 48 SER H . . 4.190 3.003 2.712 3.136 . 0 0 "[ . 1 . 2]" 1
627 1 48 SER H 1 51 TYR H . . 4.950 4.796 4.450 4.960 0.010 9 0 "[ . 1 . 2]" 1
628 1 67 PHE HA 1 68 SER H . . 3.560 3.528 3.520 3.536 . 0 0 "[ . 1 . 2]" 1
629 1 67 PHE H 1 68 SER H . . 3.410 2.558 2.527 2.606 . 0 0 "[ . 1 . 2]" 1
630 1 68 SER H 1 69 ILE HB . . 4.690 4.717 4.705 4.728 0.038 15 0 "[ . 1 . 2]" 1
631 1 68 SER H 1 69 ILE H . . 3.490 2.490 2.483 2.498 . 0 0 "[ . 1 . 2]" 1
632 1 65 LYS HA 1 68 SER H . . 3.730 3.476 3.349 3.585 . 0 0 "[ . 1 . 2]" 1
633 1 70 ILE HB 1 71 SER H . . 3.850 3.755 3.685 3.789 . 0 0 "[ . 1 . 2]" 1
634 1 70 ILE H 1 71 SER H . . 2.910 2.755 2.710 2.792 . 0 0 "[ . 1 . 2]" 1
635 1 68 SER HA 1 71 SER H . . 3.930 3.856 3.803 3.928 . 0 0 "[ . 1 . 2]" 1
636 1 71 SER H 1 72 SER QB . . 4.410 4.386 4.267 4.425 0.015 17 0 "[ . 1 . 2]" 1
637 1 72 SER H 1 73 GLU H . . 3.680 2.618 2.549 2.666 . 0 0 "[ . 1 . 2]" 1
638 1 69 ILE HA 1 72 SER H . . 4.340 3.379 3.244 3.492 . 0 0 "[ . 1 . 2]" 1
639 1 68 SER HA 1 72 SER H . . 4.580 4.484 4.374 4.590 0.010 2 0 "[ . 1 . 2]" 1
640 1 71 SER H 1 72 SER H . . 3.800 2.616 2.515 2.694 . 0 0 "[ . 1 . 2]" 1
641 1 72 SER H 1 72 SER QB . . 3.900 2.163 2.077 2.269 . 0 0 "[ . 1 . 2]" 1
642 1 55 LYS QG 1 59 PHE H . . 4.770 4.317 3.520 4.777 0.007 4 0 "[ . 1 . 2]" 1
643 1 21 VAL H 1 22 ILE H . . 3.460 2.756 2.722 2.780 . 0 0 "[ . 1 . 2]" 1
644 1 17 LEU HA 1 21 VAL H . . 4.410 3.899 3.819 4.047 . 0 0 "[ . 1 . 2]" 1
645 1 19 GLN H 1 21 VAL H . . 4.430 4.164 4.101 4.253 . 0 0 "[ . 1 . 2]" 1
646 1 21 VAL H 1 21 VAL HB . . 3.240 2.310 2.287 2.336 . 0 0 "[ . 1 . 2]" 1
647 1 34 VAL H 1 34 VAL HB . . 3.350 2.639 2.503 3.068 . 0 0 "[ . 1 . 2]" 1
648 1 49 VAL H 1 52 GLY H . . 5.090 4.531 4.086 5.091 0.001 6 0 "[ . 1 . 2]" 1
649 1 48 SER H 1 49 VAL H . . 4.500 2.672 2.572 2.767 . 0 0 "[ . 1 . 2]" 1
650 1 49 VAL H 1 49 VAL HB . . 3.830 2.964 2.512 3.627 . 0 0 "[ . 1 . 2]" 1
651 1 59 PHE HA 1 63 VAL H . . 4.710 4.178 3.822 4.383 . 0 0 "[ . 1 . 2]" 1
652 1 62 GLN QB 1 63 VAL H . . 4.310 2.605 2.448 3.334 . 0 0 "[ . 1 . 2]" 1
653 1 60 ARG HA 1 63 VAL H . . 4.520 3.620 3.511 3.888 . 0 0 "[ . 1 . 2]" 1
654 1 63 VAL H 1 63 VAL HB . . 3.180 2.627 2.574 2.658 . 0 0 "[ . 1 . 2]" 1
655 1 64 GLU HA 1 66 VAL H . . 4.680 4.462 4.328 4.680 0.000 5 0 "[ . 1 . 2]" 1
656 1 65 LYS H 1 66 VAL H . . 3.480 2.481 2.451 2.555 . 0 0 "[ . 1 . 2]" 1
657 1 65 LYS QB 1 66 VAL H . . 3.390 2.804 2.644 2.872 . 0 0 "[ . 1 . 2]" 1
658 1 62 GLN HA 1 66 VAL H . . 4.460 4.038 3.701 4.276 . 0 0 "[ . 1 . 2]" 1
659 1 66 VAL H 1 68 SER H . . 4.670 4.174 4.062 4.295 . 0 0 "[ . 1 . 2]" 1
660 1 63 VAL HA 1 66 VAL H . . 4.040 3.358 3.228 3.557 . 0 0 "[ . 1 . 2]" 1
661 1 66 VAL H 1 66 VAL HB . . 3.300 2.308 2.271 2.341 . 0 0 "[ . 1 . 2]" 1
662 1 22 ILE H 1 24 TYR H . . 5.040 4.102 4.056 4.159 . 0 0 "[ . 1 . 2]" 1
663 1 24 TYR H 1 25 LEU H . . 3.400 2.554 2.520 2.625 . 0 0 "[ . 1 . 2]" 1
664 1 23 GLN H 1 24 TYR H . . 3.430 2.499 2.489 2.511 . 0 0 "[ . 1 . 2]" 1
665 1 23 GLN QB 1 24 TYR H . . 3.720 2.793 2.696 2.826 . 0 0 "[ . 1 . 2]" 1
666 1 24 TYR H 1 26 SER H . . 4.240 4.105 3.926 4.227 . 0 0 "[ . 1 . 2]" 1
667 1 21 VAL HA 1 24 TYR H . . 3.960 3.285 3.263 3.312 . 0 0 "[ . 1 . 2]" 1
668 1 24 TYR H 1 24 TYR QD . . 3.940 3.588 2.585 3.910 . 0 0 "[ . 1 . 2]" 1
669 1 32 LYS QB 1 33 TYR H . . 3.860 2.702 1.926 3.867 0.007 1 0 "[ . 1 . 2]" 1
670 1 33 TYR H 1 34 VAL H . . 4.220 3.156 2.539 4.222 0.002 10 0 "[ . 1 . 2]" 1
671 1 43 LEU HA 1 47 TYR H . . 4.470 4.183 3.957 4.462 . 0 0 "[ . 1 . 2]" 1
672 1 43 LEU HG 1 47 TYR H . . 5.500 5.151 4.818 5.498 . 0 0 "[ . 1 . 2]" 1
673 1 46 LEU HG 1 47 TYR H . . 4.540 2.315 2.127 2.452 . 0 0 "[ . 1 . 2]" 1
674 1 46 LEU H 1 47 TYR H . . 3.420 2.508 2.453 2.565 . 0 0 "[ . 1 . 2]" 1
675 1 44 GLN HA 1 47 TYR H . . 4.900 3.382 3.296 3.474 . 0 0 "[ . 1 . 2]" 1
676 1 45 ARG H 1 47 TYR H . . 4.450 3.917 3.798 4.007 . 0 0 "[ . 1 . 2]" 1
677 1 48 SER HA 1 51 TYR H . . 4.540 4.103 3.450 4.467 . 0 0 "[ . 1 . 2]" 1
678 1 51 TYR H 1 51 TYR QB . . 3.680 2.293 2.184 2.497 . 0 0 "[ . 1 . 2]" 1
679 1 51 TYR H 1 51 TYR QD . . 4.050 3.233 1.981 3.823 . 0 0 "[ . 1 . 2]" 1
680 1 37 GLY HA3 1 40 ALA H . . 5.240 4.922 4.723 5.066 . 0 0 "[ . 1 . 2]" 1
681 1 39 LEU HB2 1 40 ALA H . . 3.960 3.721 3.424 3.960 . 0 0 "[ . 1 . 2]" 1
682 1 39 LEU HB3 1 40 ALA H . . 3.960 2.556 2.409 2.717 . 0 0 "[ . 1 . 2]" 1
683 1 40 ALA H 1 63 VAL MG1 . . 4.580 2.538 2.135 3.369 . 0 0 "[ . 1 . 2]" 1
684 1 40 ALA H 1 63 VAL MG2 . . 4.580 3.815 3.184 4.195 . 0 0 "[ . 1 . 2]" 1
685 1 35 ASP H 1 35 ASP HB2 . . 3.610 2.287 2.082 2.503 . 0 0 "[ . 1 . 2]" 1
686 1 35 ASP H 1 35 ASP HB3 . . 3.610 3.178 2.894 3.612 0.002 17 0 "[ . 1 . 2]" 1
687 1 42 ASP H 1 42 ASP HB2 . . 3.660 2.276 2.137 2.554 . 0 0 "[ . 1 . 2]" 1
688 1 42 ASP H 1 42 ASP HB3 . . 3.660 3.092 2.536 3.582 . 0 0 "[ . 1 . 2]" 1
689 1 38 ILE MG 1 42 ASP H . . 4.290 4.028 3.688 4.222 . 0 0 "[ . 1 . 2]" 1
690 1 47 TYR HB3 1 50 ASP H . . 4.370 3.344 3.077 3.684 . 0 0 "[ . 1 . 2]" 1
691 1 64 GLU H 1 64 GLU HB2 . . 3.750 2.301 2.142 2.530 . 0 0 "[ . 1 . 2]" 1
692 1 61 ILE MG 1 64 GLU H . . 4.770 4.526 4.431 4.648 . 0 0 "[ . 1 . 2]" 1
693 1 63 VAL MG1 1 64 GLU H . . 4.150 3.565 2.072 3.797 . 0 0 "[ . 1 . 2]" 1
694 1 63 VAL MG2 1 64 GLU H . . 4.150 3.773 3.727 3.802 . 0 0 "[ . 1 . 2]" 1
695 1 73 GLU H 1 73 GLU HG2 . . 4.590 3.920 2.704 4.578 . 0 0 "[ . 1 . 2]" 1
696 1 73 GLU H 1 73 GLU HG3 . . 4.590 3.992 2.738 4.505 . 0 0 "[ . 1 . 2]" 1
697 1 75 GLU H 1 75 GLU HB3 . . 4.120 4.009 2.953 4.099 . 0 0 "[ . 1 . 2]" 1
698 1 75 GLU H 1 75 GLU HG2 . . 4.760 3.863 2.610 4.623 . 0 0 "[ . 1 . 2]" 1
699 1 75 GLU H 1 75 GLU HG3 . . 4.760 3.645 2.857 4.730 . 0 0 "[ . 1 . 2]" 1
700 1 59 PHE H 1 59 PHE HB2 . . 3.560 2.394 2.094 2.548 . 0 0 "[ . 1 . 2]" 1
701 1 59 PHE H 1 59 PHE HB3 . . 3.560 2.688 2.527 3.137 . 0 0 "[ . 1 . 2]" 1
702 1 67 PHE H 1 67 PHE HB3 . . 3.240 2.564 2.490 2.665 . 0 0 "[ . 1 . 2]" 1
703 1 67 PHE H 1 67 PHE HB2 . . 3.290 2.525 2.429 2.606 . 0 0 "[ . 1 . 2]" 1
704 1 66 VAL MG2 1 67 PHE H . . 4.270 4.140 4.121 4.169 . 0 0 "[ . 1 . 2]" 1
705 1 66 VAL MG1 1 67 PHE H . . 3.930 3.365 3.280 3.417 . 0 0 "[ . 1 . 2]" 1
706 1 36 THR MG 1 37 GLY H . . 4.210 3.793 3.591 3.968 . 0 0 "[ . 1 . 2]" 1
707 1 22 ILE H 1 22 ILE MD . . 4.140 3.720 3.653 3.778 . 0 0 "[ . 1 . 2]" 1
708 1 22 ILE H 1 70 ILE MD . . 4.550 4.081 3.947 4.142 . 0 0 "[ . 1 . 2]" 1
709 1 38 ILE H 1 38 ILE MD . . 3.630 3.397 1.890 3.632 0.002 2 0 "[ . 1 . 2]" 1
710 1 38 ILE H 1 38 ILE MG . . 3.770 3.771 3.753 3.778 0.008 19 0 "[ . 1 . 2]" 1
711 1 61 ILE H 1 61 ILE MD . . 3.650 3.047 2.809 3.361 . 0 0 "[ . 1 . 2]" 1
712 1 61 ILE H 1 61 ILE MG . . 3.960 3.768 3.765 3.777 . 0 0 "[ . 1 . 2]" 1
713 1 60 ARG HB2 1 61 ILE H . . 3.690 2.881 2.441 3.625 . 0 0 "[ . 1 . 2]" 1
714 1 60 ARG HB3 1 61 ILE H . . 3.660 3.198 2.557 3.610 . 0 0 "[ . 1 . 2]" 1
715 1 69 ILE H 1 69 ILE MG . . 3.510 2.227 2.192 2.285 . 0 0 "[ . 1 . 2]" 1
716 1 66 VAL MG2 1 69 ILE H . . 5.200 5.046 4.996 5.070 . 0 0 "[ . 1 . 2]" 1
717 1 66 VAL MG1 1 69 ILE H . . 4.600 4.611 4.550 4.623 0.023 5 0 "[ . 1 . 2]" 1
718 1 70 ILE H 1 70 ILE QG . . 3.510 2.046 1.975 2.085 . 0 0 "[ . 1 . 2]" 1
719 1 18 LYS H 1 18 LYS HB2 . . 3.460 2.426 2.290 2.542 . 0 0 "[ . 1 . 2]" 1
720 1 18 LYS H 1 18 LYS HB3 . . 3.520 2.676 2.555 2.823 . 0 0 "[ . 1 . 2]" 1
721 1 18 LYS H 1 18 LYS HG3 . . 4.600 4.416 4.251 4.529 . 0 0 "[ . 1 . 2]" 1
722 1 17 LEU HB2 1 18 LYS H . . 4.130 3.520 3.468 3.576 . 0 0 "[ . 1 . 2]" 1
723 1 17 LEU HB3 1 18 LYS H . . 4.130 2.646 2.504 2.752 . 0 0 "[ . 1 . 2]" 1
724 1 17 LEU MD2 1 18 LYS H . . 4.920 4.716 4.667 4.749 . 0 0 "[ . 1 . 2]" 1
725 1 18 LYS H 1 66 VAL MG1 . . 4.390 3.031 2.868 3.149 . 0 0 "[ . 1 . 2]" 1
726 1 64 GLU HB2 1 65 LYS H . . 3.660 2.585 2.414 2.747 . 0 0 "[ . 1 . 2]" 1
727 1 64 GLU HB3 1 65 LYS H . . 3.720 3.284 3.047 3.510 . 0 0 "[ . 1 . 2]" 1
728 1 61 ILE MG 1 65 LYS H . . 4.420 3.838 3.593 4.037 . 0 0 "[ . 1 . 2]" 1
729 1 73 GLU HB2 1 74 LYS H . . 4.250 3.172 2.614 3.849 . 0 0 "[ . 1 . 2]" 1
730 1 25 LEU H 1 25 LEU HB3 . . 3.770 3.594 3.584 3.601 . 0 0 "[ . 1 . 2]" 1
731 1 25 LEU H 1 25 LEU HB2 . . 3.630 2.811 2.746 2.881 . 0 0 "[ . 1 . 2]" 1
732 1 25 LEU H 1 25 LEU MD1 . . 4.090 2.895 2.843 2.954 . 0 0 "[ . 1 . 2]" 1
733 1 24 TYR HB3 1 25 LEU H . . 4.040 3.227 2.993 3.389 . 0 0 "[ . 1 . 2]" 1
734 1 24 TYR HB2 1 25 LEU H . . 3.840 2.973 2.852 3.270 . 0 0 "[ . 1 . 2]" 1
735 1 38 ILE MG 1 39 LEU H . . 3.700 3.549 3.312 3.664 . 0 0 "[ . 1 . 2]" 1
736 1 39 LEU H 1 39 LEU HB2 . . 3.340 2.388 2.145 2.599 . 0 0 "[ . 1 . 2]" 1
737 1 39 LEU H 1 39 LEU HB3 . . 3.340 2.661 2.428 2.977 . 0 0 "[ . 1 . 2]" 1
738 1 42 ASP HB2 1 43 LEU H . . 4.000 3.241 2.570 3.843 . 0 0 "[ . 1 . 2]" 1
739 1 42 ASP HB3 1 43 LEU H . . 4.000 2.828 2.444 3.517 . 0 0 "[ . 1 . 2]" 1
740 1 43 LEU H 1 43 LEU HB3 . . 3.440 2.992 2.892 3.116 . 0 0 "[ . 1 . 2]" 1
741 1 43 LEU H 1 43 LEU MD2 . . 4.490 4.174 4.115 4.255 . 0 0 "[ . 1 . 2]" 1
742 1 46 LEU H 1 46 LEU MD2 . . 4.080 2.896 2.659 3.153 . 0 0 "[ . 1 . 2]" 1
743 1 75 GLU HB2 1 76 LEU H . . 4.740 4.089 1.957 4.638 . 0 0 "[ . 1 . 2]" 1
744 1 75 GLU HB3 1 76 LEU H . . 4.740 3.371 1.994 4.319 . 0 0 "[ . 1 . 2]" 1
745 1 76 LEU H 1 76 LEU MD1 . . 4.790 3.807 2.326 4.793 0.003 20 0 "[ . 1 . 2]" 1
746 1 76 LEU H 1 76 LEU MD2 . . 4.790 3.795 1.882 4.648 . 0 0 "[ . 1 . 2]" 1
747 1 19 GLN H 1 22 ILE MD . . 4.350 4.168 4.023 4.313 . 0 0 "[ . 1 . 2]" 1
748 1 18 LYS HB2 1 19 GLN H . . 3.970 3.606 3.465 3.705 . 0 0 "[ . 1 . 2]" 1
749 1 18 LYS HB3 1 19 GLN H . . 3.600 2.348 2.313 2.458 . 0 0 "[ . 1 . 2]" 1
750 1 18 LYS HG2 1 19 GLN H . . 4.680 4.006 3.842 4.156 . 0 0 "[ . 1 . 2]" 1
751 1 19 GLN H 1 19 GLN HG3 . . 4.600 4.421 4.396 4.468 . 0 0 "[ . 1 . 2]" 1
752 1 19 GLN H 1 19 GLN HG2 . . 4.670 4.599 4.536 4.634 . 0 0 "[ . 1 . 2]" 1
753 1 22 ILE MG 1 23 GLN H . . 3.980 3.923 3.890 3.959 . 0 0 "[ . 1 . 2]" 1
754 1 22 ILE HG13 1 23 GLN H . . 4.840 2.165 2.066 2.218 . 0 0 "[ . 1 . 2]" 1
755 1 43 LEU HB3 1 44 GLN H . . 3.570 2.677 2.458 2.888 . 0 0 "[ . 1 . 2]" 1
756 1 44 GLN H 1 44 GLN HB3 . . 3.840 2.814 2.531 3.524 . 0 0 "[ . 1 . 2]" 1
757 1 44 GLN H 1 44 GLN HB2 . . 3.840 2.825 2.139 3.613 . 0 0 "[ . 1 . 2]" 1
758 1 44 GLN H 1 44 GLN HG3 . . 4.630 3.493 1.961 4.485 . 0 0 "[ . 1 . 2]" 1
759 1 61 ILE MD 1 62 GLN H . . 4.450 4.163 4.022 4.332 . 0 0 "[ . 1 . 2]" 1
760 1 61 ILE MG 1 62 GLN H . . 3.890 3.607 3.423 3.744 . 0 0 "[ . 1 . 2]" 1
761 1 20 ARG H 1 21 VAL MG2 . . 5.040 4.569 4.497 4.659 . 0 0 "[ . 1 . 2]" 1
762 1 44 GLN HB2 1 45 ARG H . . 4.350 3.653 2.823 3.961 . 0 0 "[ . 1 . 2]" 1
763 1 44 GLN HB3 1 45 ARG H . . 4.350 3.353 2.694 4.060 . 0 0 "[ . 1 . 2]" 1
764 1 59 PHE HB2 1 60 ARG H . . 4.250 3.798 3.454 3.963 . 0 0 "[ . 1 . 2]" 1
765 1 59 PHE HB3 1 60 ARG H . . 4.250 2.653 2.493 2.907 . 0 0 "[ . 1 . 2]" 1
766 1 60 ARG H 1 60 ARG HB2 . . 3.320 2.272 2.099 2.423 . 0 0 "[ . 1 . 2]" 1
767 1 60 ARG H 1 60 ARG HB3 . . 3.590 3.396 2.843 3.580 . 0 0 "[ . 1 . 2]" 1
768 1 25 LEU HB3 1 26 SER H . . 4.200 3.848 3.716 3.996 . 0 0 "[ . 1 . 2]" 1
769 1 25 LEU HB2 1 26 SER H . . 3.810 2.535 2.361 2.780 . 0 0 "[ . 1 . 2]" 1
770 1 25 LEU MD1 1 26 SER H . . 4.570 3.601 3.421 3.926 . 0 0 "[ . 1 . 2]" 1
771 1 47 TYR HB3 1 48 SER H . . 4.580 4.353 4.325 4.375 . 0 0 "[ . 1 . 2]" 1
772 1 67 PHE HB3 1 68 SER H . . 3.820 2.631 2.576 2.709 . 0 0 "[ . 1 . 2]" 1
773 1 67 PHE HB2 1 68 SER H . . 4.140 3.855 3.749 3.930 . 0 0 "[ . 1 . 2]" 1
774 1 36 THR MG 1 68 SER H . . 4.610 3.898 3.547 4.268 . 0 0 "[ . 1 . 2]" 1
775 1 68 SER H 1 69 ILE MG . . 5.070 3.960 3.891 4.014 . 0 0 "[ . 1 . 2]" 1
776 1 70 ILE QG 1 71 SER H . . 4.350 2.112 2.004 2.151 . 0 0 "[ . 1 . 2]" 1
777 1 70 ILE MG 1 71 SER H . . 4.050 3.978 3.929 4.018 . 0 0 "[ . 1 . 2]" 1
778 1 21 VAL H 1 21 VAL MG1 . . 4.350 3.703 3.687 3.716 . 0 0 "[ . 1 . 2]" 1
779 1 21 VAL H 1 21 VAL MG2 . . 2.960 2.553 2.488 2.653 . 0 0 "[ . 1 . 2]" 1
780 1 34 VAL H 1 34 VAL MG1 . . 3.940 2.507 1.957 3.860 . 0 0 "[ . 1 . 2]" 1
781 1 34 VAL H 1 34 VAL MG2 . . 3.940 3.345 1.945 3.874 . 0 0 "[ . 1 . 2]" 1
782 1 33 TYR HB2 1 34 VAL H . . 4.480 4.357 3.546 4.492 0.012 17 0 "[ . 1 . 2]" 1
783 1 33 TYR HB3 1 34 VAL H . . 4.480 4.265 3.822 4.478 . 0 0 "[ . 1 . 2]" 1
784 1 17 LEU MD1 1 63 VAL H . . 4.440 4.018 3.738 4.221 . 0 0 "[ . 1 . 2]" 1
785 1 63 VAL H 1 63 VAL MG1 . . 3.890 3.598 2.055 3.774 . 0 0 "[ . 1 . 2]" 1
786 1 63 VAL H 1 63 VAL MG2 . . 3.890 2.236 1.945 3.782 . 0 0 "[ . 1 . 2]" 1
787 1 66 VAL H 1 67 PHE HB3 . . 5.080 4.876 4.759 5.041 . 0 0 "[ . 1 . 2]" 1
788 1 66 VAL H 1 69 ILE MG . . 4.580 4.036 3.962 4.103 . 0 0 "[ . 1 . 2]" 1
789 1 66 VAL H 1 66 VAL MG2 . . 3.900 2.689 2.611 2.752 . 0 0 "[ . 1 . 2]" 1
790 1 66 VAL H 1 66 VAL MG1 . . 3.700 3.698 3.668 3.717 0.017 5 0 "[ . 1 . 2]" 1
791 1 24 TYR H 1 24 TYR HB3 . . 3.530 3.420 3.243 3.507 . 0 0 "[ . 1 . 2]" 1
792 1 24 TYR H 1 24 TYR HB2 . . 3.400 2.141 2.085 2.205 . 0 0 "[ . 1 . 2]" 1
793 1 33 TYR H 1 33 TYR HB2 . . 4.180 3.022 2.304 3.844 . 0 0 "[ . 1 . 2]" 1
794 1 33 TYR H 1 33 TYR HB3 . . 4.180 3.633 2.883 4.096 . 0 0 "[ . 1 . 2]" 1
795 1 46 LEU MD2 1 47 TYR H . . 4.670 3.987 3.847 4.104 . 0 0 "[ . 1 . 2]" 1
796 1 47 TYR H 1 47 TYR HB3 . . 4.050 3.601 3.469 3.675 . 0 0 "[ . 1 . 2]" 1
797 1 47 TYR H 1 47 TYR HB2 . . 3.870 2.412 2.292 2.493 . 0 0 "[ . 1 . 2]" 1
798 1 47 TYR HB2 1 51 TYR H . . 4.550 3.753 3.159 4.549 . 0 0 "[ . 1 . 2]" 1
799 1 22 ILE H 1 22 ILE HG12 . . 3.450 2.214 2.168 2.258 . 0 0 "[ . 1 . 2]" 1
800 1 38 ILE H 1 38 ILE HG12 . . 4.090 3.301 3.170 3.894 . 0 0 "[ . 1 . 2]" 1
801 1 38 ILE H 1 38 ILE HG13 . . 4.090 2.149 1.987 3.573 . 0 0 "[ . 1 . 2]" 1
802 1 61 ILE H 1 61 ILE HG12 . . 4.000 3.525 3.405 3.587 . 0 0 "[ . 1 . 2]" 1
803 1 61 ILE H 1 61 ILE HG13 . . 3.460 1.989 1.960 2.037 . 0 0 "[ . 1 . 2]" 1
804 1 61 ILE HG13 1 62 GLN H . . 4.420 4.160 4.006 4.200 . 0 0 "[ . 1 . 2]" 1
805 1 60 ARG H 1 61 ILE HG13 . . 4.740 4.224 3.896 4.423 . 0 0 "[ . 1 . 2]" 1
806 1 23 GLN QB 1 23 GLN HE22 . . 4.550 3.876 3.244 4.226 . 0 0 "[ . 1 . 2]" 1
807 1 62 GLN QB 1 62 GLN HE22 . . 4.890 3.742 3.182 4.373 . 0 0 "[ . 1 . 2]" 1
808 1 24 TYR HA 1 27 SER H . . 4.190 3.853 3.621 3.959 . 0 0 "[ . 1 . 2]" 1
809 1 26 SER QB 1 27 SER H . . 3.730 2.501 2.361 3.253 . 0 0 "[ . 1 . 2]" 1
810 1 33 TYR H 1 33 TYR QD . . 4.430 3.526 2.315 4.428 . 0 0 "[ . 1 . 2]" 1
811 1 24 TYR QD 1 25 LEU H . . 4.860 4.621 4.502 4.654 . 0 0 "[ . 1 . 2]" 1
812 1 17 LEU H 1 17 LEU MD1 . . 4.360 4.220 4.203 4.230 . 0 0 "[ . 1 . 2]" 1
813 1 17 LEU H 1 17 LEU MD2 . . 3.860 3.502 3.373 3.614 . 0 0 "[ . 1 . 2]" 1
814 1 17 LEU H 1 17 LEU HG . . 4.690 4.543 4.501 4.563 . 0 0 "[ . 1 . 2]" 1
815 1 17 LEU H 1 17 LEU HB3 . . 3.920 2.957 2.908 3.016 . 0 0 "[ . 1 . 2]" 1
816 1 16 LYS QD 1 17 LEU H . . 4.900 4.407 3.849 4.919 0.019 14 0 "[ . 1 . 2]" 1
817 1 16 LYS HB2 1 17 LEU H . . 3.840 3.082 2.767 3.816 . 0 0 "[ . 1 . 2]" 1
818 1 17 LEU H 1 17 LEU HB2 . . 3.920 2.149 2.115 2.182 . 0 0 "[ . 1 . 2]" 1
819 1 16 LYS HB3 1 17 LEU H . . 3.840 3.491 3.279 3.900 0.060 8 0 "[ . 1 . 2]" 1
820 1 17 LEU H 1 18 LYS H . . 3.410 2.750 2.729 2.772 . 0 0 "[ . 1 . 2]" 1
821 1 24 TYR HA 1 28 ASN HD21 . . 4.630 4.300 3.322 4.634 0.004 6 0 "[ . 1 . 2]" 1
822 1 24 TYR HA 1 28 ASN HD22 . . 4.630 3.754 3.146 4.635 0.005 4 0 "[ . 1 . 2]" 1
823 1 23 GLN HA 1 27 SER H . . 4.390 3.755 3.593 4.356 . 0 0 "[ . 1 . 2]" 1
824 1 7 PRO QB 1 8 ARG H . . 4.000 3.136 1.933 4.011 0.011 16 0 "[ . 1 . 2]" 1
825 1 11 VAL H 1 11 VAL QG . . 3.900 2.242 1.831 2.719 . 0 0 "[ . 1 . 2]" 1
826 1 13 VAL H 1 13 VAL QG . . 3.510 2.415 1.961 3.154 . 0 0 "[ . 1 . 2]" 1
827 1 13 VAL QG 1 14 ASP H . . 4.420 2.907 1.913 3.760 . 0 0 "[ . 1 . 2]" 1
828 1 14 ASP QB 1 62 GLN QG . . 4.030 2.933 2.024 4.035 0.005 8 0 "[ . 1 . 2]" 1
829 1 15 ARG H 1 15 ARG QG . . 4.730 3.937 3.788 4.032 . 0 0 "[ . 1 . 2]" 1
830 1 15 ARG QG 1 18 LYS HB2 . . 4.280 4.240 4.041 4.291 0.011 7 0 "[ . 1 . 2]" 1
831 1 15 ARG QG 1 18 LYS HB3 . . 3.740 3.327 3.042 3.680 . 0 0 "[ . 1 . 2]" 1
832 1 15 ARG QG 1 18 LYS QE . . 4.620 3.749 3.015 4.618 . 0 0 "[ . 1 . 2]" 1
833 1 15 ARG QG 1 19 GLN H . . 4.330 3.812 3.484 4.333 0.003 12 0 "[ . 1 . 2]" 1
834 1 16 LYS QB 1 19 GLN QB . . 5.180 4.272 3.948 4.428 . 0 0 "[ . 1 . 2]" 1
835 1 16 LYS QB 1 20 ARG HB2 . . 3.370 3.382 3.374 3.397 0.027 8 0 "[ . 1 . 2]" 1
836 1 16 LYS QG 1 20 ARG HB2 . . 4.390 4.255 3.835 4.399 0.009 2 0 "[ . 1 . 2]" 1
837 1 17 LEU H 1 17 LEU QB . . 3.280 2.100 2.076 2.123 . 0 0 "[ . 1 . 2]" 1
838 1 17 LEU QB 1 18 LYS H . . 3.540 2.573 2.450 2.656 . 0 0 "[ . 1 . 2]" 1
839 1 17 LEU QB 1 63 VAL HA . . 4.520 4.193 3.798 4.520 0.000 18 0 "[ . 1 . 2]" 1
840 1 17 LEU QB 1 66 VAL MG1 . . 4.360 2.604 2.417 2.769 . 0 0 "[ . 1 . 2]" 1
841 1 17 LEU MD1 1 39 LEU QD . . 3.810 3.280 3.003 3.628 . 0 0 "[ . 1 . 2]" 1
842 1 17 LEU MD1 1 63 VAL QG . . 2.970 2.040 1.815 2.237 . 0 0 "[ . 1 . 2]" 1
843 1 18 LYS QD 1 73 GLU QB . . 3.700 3.464 3.235 3.707 0.007 13 0 "[ . 1 . 2]" 1
844 1 18 LYS QE 1 22 ILE MD . . 3.470 2.514 1.953 2.956 . 0 0 "[ . 1 . 2]" 1
845 1 18 LYS QE 1 69 ILE MG . . 4.840 4.379 4.163 4.637 . 0 0 "[ . 1 . 2]" 1
846 1 18 LYS QE 1 70 ILE MG . . 4.520 3.527 3.196 3.715 . 0 0 "[ . 1 . 2]" 1
847 1 18 LYS QE 1 74 LYS QD . . 4.260 3.152 2.332 3.952 . 0 0 "[ . 1 . 2]" 1
848 1 21 VAL HA 1 39 LEU QD . . 3.490 3.391 3.221 3.505 0.015 8 0 "[ . 1 . 2]" 1
849 1 21 VAL MG2 1 39 LEU QB . . 4.820 4.161 3.880 4.396 . 0 0 "[ . 1 . 2]" 1
850 1 21 VAL MG2 1 39 LEU QD . . 2.800 1.842 1.771 1.982 . 0 0 "[ . 1 . 2]" 1
851 1 21 VAL MG2 1 63 VAL QG . . 3.240 2.931 2.385 3.206 . 0 0 "[ . 1 . 2]" 1
852 1 23 GLN HA 1 27 SER QB . . 4.930 4.398 3.936 4.928 . 0 0 "[ . 1 . 2]" 1
853 1 23 GLN QB 1 27 SER QB . . 5.340 4.159 3.771 4.631 . 0 0 "[ . 1 . 2]" 1
854 1 24 TYR HA 1 27 SER QB . . 4.290 3.046 2.780 3.792 . 0 0 "[ . 1 . 2]" 1
855 1 24 TYR HB3 1 30 CYS QB . . 3.870 3.445 3.021 3.776 . 0 0 "[ . 1 . 2]" 1
856 1 24 TYR QD 1 30 CYS QB . . 5.090 4.259 3.740 4.690 . 0 0 "[ . 1 . 2]" 1
857 1 24 TYR QD 1 39 LEU QD . . 4.120 4.059 3.731 4.127 0.007 2 0 "[ . 1 . 2]" 1
858 1 25 LEU MD1 1 34 VAL QG . . 4.860 4.708 4.472 4.867 0.007 12 0 "[ . 1 . 2]" 1
859 1 25 LEU MD2 1 34 VAL QG . . 4.100 2.806 2.552 3.132 . 0 0 "[ . 1 . 2]" 1
860 1 26 SER H 1 27 SER QB . . 4.910 4.533 4.293 4.913 0.003 1 0 "[ . 1 . 2]" 1
861 1 27 SER H 1 27 SER QB . . 3.230 2.225 2.053 2.456 . 0 0 "[ . 1 . 2]" 1
862 1 27 SER QB 1 28 ASN H . . 4.210 2.771 2.563 3.454 . 0 0 "[ . 1 . 2]" 1
863 1 30 CYS QB 1 34 VAL QG . . 3.960 2.958 2.289 3.864 . 0 0 "[ . 1 . 2]" 1
864 1 30 CYS QB 1 39 LEU QD . . 4.920 4.025 3.268 4.810 . 0 0 "[ . 1 . 2]" 1
865 1 31 GLY HA3 1 34 VAL QG . . 4.060 3.471 2.899 3.950 . 0 0 "[ . 1 . 2]" 1
866 1 33 TYR H 1 33 TYR QB . . 3.350 2.837 2.264 3.362 0.012 18 0 "[ . 1 . 2]" 1
867 1 34 VAL H 1 34 VAL QG . . 3.460 2.062 1.939 2.351 . 0 0 "[ . 1 . 2]" 1
868 1 34 VAL QG 1 35 ASP H . . 4.360 2.762 1.938 3.352 . 0 0 "[ . 1 . 2]" 1
869 1 34 VAL QG 1 38 ILE MG . . 2.390 2.155 1.918 2.392 0.002 11 0 "[ . 1 . 2]" 1
870 1 34 VAL QG 1 39 LEU H . . 4.020 2.496 2.241 2.797 . 0 0 "[ . 1 . 2]" 1
871 1 34 VAL QG 1 39 LEU HA . . 4.560 2.137 1.882 2.450 . 0 0 "[ . 1 . 2]" 1
872 1 34 VAL QG 1 39 LEU QB . . 3.790 1.972 1.844 2.207 . 0 0 "[ . 1 . 2]" 1
873 1 34 VAL QG 1 39 LEU HG . . 4.210 3.120 1.905 3.933 . 0 0 "[ . 1 . 2]" 1
874 1 34 VAL QG 1 39 LEU QD . . 2.700 2.203 1.751 2.630 . 0 0 "[ . 1 . 2]" 1
875 1 34 VAL QG 1 40 ALA H . . 4.930 4.323 4.149 4.532 . 0 0 "[ . 1 . 2]" 1
876 1 34 VAL QG 1 42 ASP QB . . 4.840 3.303 2.969 3.629 . 0 0 "[ . 1 . 2]" 1
877 1 34 VAL QG 1 67 PHE QE . . 3.690 2.937 2.262 3.688 . 0 0 "[ . 1 . 2]" 1
878 1 35 ASP HA 1 39 LEU QB . . 5.000 4.517 4.235 4.768 . 0 0 "[ . 1 . 2]" 1
879 1 35 ASP QB 1 38 ILE H . . 3.850 2.710 2.309 2.922 . 0 0 "[ . 1 . 2]" 1
880 1 35 ASP QB 1 38 ILE HA . . 5.320 4.880 4.427 5.151 . 0 0 "[ . 1 . 2]" 1
881 1 35 ASP QB 1 38 ILE MG . . 5.340 4.178 3.686 4.576 . 0 0 "[ . 1 . 2]" 1
882 1 35 ASP QB 1 38 ILE MD . . 3.470 2.051 1.809 2.712 . 0 0 "[ . 1 . 2]" 1
883 1 36 THR HA 1 39 LEU QB . . 3.370 2.961 2.599 3.094 . 0 0 "[ . 1 . 2]" 1
884 1 36 THR HA 1 39 LEU QD . . 3.650 3.574 3.291 3.657 0.007 16 0 "[ . 1 . 2]" 1
885 1 36 THR HA 1 63 VAL QG . . 4.440 3.059 2.702 3.878 . 0 0 "[ . 1 . 2]" 1
886 1 36 THR MG 1 39 LEU QB . . 4.830 4.464 4.317 4.625 . 0 0 "[ . 1 . 2]" 1
887 1 36 THR MG 1 63 VAL QG . . 4.180 3.885 3.514 4.169 . 0 0 "[ . 1 . 2]" 1
888 1 37 GLY HA2 1 63 VAL QG . . 5.440 4.433 4.062 4.714 . 0 0 "[ . 1 . 2]" 1
889 1 38 ILE H 1 38 ILE QG . . 3.380 2.111 1.968 3.296 . 0 0 "[ . 1 . 2]" 1
890 1 38 ILE MG 1 39 LEU QB . . 5.340 4.413 4.235 4.540 . 0 0 "[ . 1 . 2]" 1
891 1 38 ILE MG 1 42 ASP QB . . 4.110 3.478 3.129 3.764 . 0 0 "[ . 1 . 2]" 1
892 1 39 LEU H 1 39 LEU QD . . 4.250 3.709 3.628 3.762 . 0 0 "[ . 1 . 2]" 1
893 1 39 LEU QB 1 40 ALA H . . 3.350 2.512 2.384 2.672 . 0 0 "[ . 1 . 2]" 1
894 1 39 LEU QB 1 43 LEU HB2 . . 5.340 4.560 4.231 4.836 . 0 0 "[ . 1 . 2]" 1
895 1 39 LEU QB 1 43 LEU MD1 . . 5.340 4.911 4.697 5.133 . 0 0 "[ . 1 . 2]" 1
896 1 39 LEU QB 1 63 VAL QG . . 3.930 2.282 2.007 2.823 . 0 0 "[ . 1 . 2]" 1
897 1 39 LEU HG 1 63 VAL QG . . 4.370 3.229 2.260 4.346 . 0 0 "[ . 1 . 2]" 1
898 1 39 LEU QD 1 40 ALA H . . 4.600 3.710 3.402 3.988 . 0 0 "[ . 1 . 2]" 1
899 1 39 LEU QD 1 40 ALA HA . . 4.410 3.860 3.170 4.417 0.007 12 0 "[ . 1 . 2]" 1
900 1 39 LEU QD 1 42 ASP QB . . 5.110 3.125 2.789 3.781 . 0 0 "[ . 1 . 2]" 1
901 1 39 LEU QD 1 43 LEU HB2 . . 4.700 2.894 2.056 3.605 . 0 0 "[ . 1 . 2]" 1
902 1 39 LEU QD 1 43 LEU HG . . 4.950 4.517 3.947 4.951 0.001 13 0 "[ . 1 . 2]" 1
903 1 39 LEU QD 1 43 LEU MD1 . . 3.300 2.481 2.181 2.813 . 0 0 "[ . 1 . 2]" 1
904 1 39 LEU QD 1 43 LEU MD2 . . 3.170 2.710 2.138 3.104 . 0 0 "[ . 1 . 2]" 1
905 1 39 LEU QD 1 63 VAL HA . . 4.930 4.194 3.672 4.451 . 0 0 "[ . 1 . 2]" 1
906 1 39 LEU QD 1 63 VAL QG . . 2.730 2.198 1.925 2.404 . 0 0 "[ . 1 . 2]" 1
907 1 39 LEU QD 1 67 PHE QD . . 4.680 1.958 1.826 2.254 . 0 0 "[ . 1 . 2]" 1
908 1 39 LEU QD 1 70 ILE MD . . 3.960 3.015 2.852 3.277 . 0 0 "[ . 1 . 2]" 1
909 1 40 ALA H 1 63 VAL QG . . 3.840 2.479 2.125 2.911 . 0 0 "[ . 1 . 2]" 1
910 1 40 ALA HA 1 44 GLN QB . . 5.070 4.547 3.912 5.009 . 0 0 "[ . 1 . 2]" 1
911 1 40 ALA HA 1 63 VAL QG . . 3.440 2.026 1.784 2.263 . 0 0 "[ . 1 . 2]" 1
912 1 40 ALA MB 1 44 GLN QB . . 4.840 4.300 3.626 4.818 . 0 0 "[ . 1 . 2]" 1
913 1 40 ALA MB 1 63 VAL QG . . 2.970 1.858 1.674 2.190 . 0 0 "[ . 1 . 2]" 1
914 1 40 ALA MB 1 64 GLU QG . . 5.340 4.056 3.455 4.582 . 0 0 "[ . 1 . 2]" 1
915 1 42 ASP QB 1 43 LEU H . . 3.460 2.528 2.410 2.729 . 0 0 "[ . 1 . 2]" 1
916 1 42 ASP QB 1 46 LEU MD2 . . 4.900 3.121 2.565 3.741 . 0 0 "[ . 1 . 2]" 1
917 1 43 LEU HA 1 46 LEU QB . . 4.570 4.378 4.179 4.475 . 0 0 "[ . 1 . 2]" 1
918 1 43 LEU MD1 1 63 VAL QG . . 4.190 4.083 3.611 4.202 0.012 3 0 "[ . 1 . 2]" 1
919 1 43 LEU MD2 1 63 VAL QG . . 3.120 2.541 2.022 2.799 . 0 0 "[ . 1 . 2]" 1
920 1 44 GLN H 1 44 GLN QB . . 3.370 2.330 2.101 2.593 . 0 0 "[ . 1 . 2]" 1
921 1 44 GLN H 1 44 GLN QE . . 4.730 4.256 3.125 4.732 0.002 11 0 "[ . 1 . 2]" 1
922 1 44 GLN QB 1 44 GLN QE . . 4.010 2.538 1.936 3.659 . 0 0 "[ . 1 . 2]" 1
923 1 44 GLN QB 1 45 ARG H . . 3.690 3.026 2.648 3.556 . 0 0 "[ . 1 . 2]" 1
924 1 44 GLN QB 1 47 TYR H . . 5.340 4.875 4.777 4.975 . 0 0 "[ . 1 . 2]" 1
925 1 44 GLN QB 1 52 GLY QA . . 4.660 4.120 2.755 4.668 0.008 8 0 "[ . 1 . 2]" 1
926 1 44 GLN QG 1 45 ARG H . . 4.570 3.368 1.962 4.453 . 0 0 "[ . 1 . 2]" 1
927 1 44 GLN QG 1 59 PHE QD . . 4.230 3.640 2.358 4.236 0.006 2 0 "[ . 1 . 2]" 1
928 1 46 LEU H 1 46 LEU QB . . 3.300 2.684 2.639 2.718 . 0 0 "[ . 1 . 2]" 1
929 1 46 LEU QB 1 47 TYR H . . 3.850 3.475 3.430 3.565 . 0 0 "[ . 1 . 2]" 1
930 1 47 TYR HB2 1 50 ASP QB . . 4.080 3.838 3.709 4.021 . 0 0 "[ . 1 . 2]" 1
931 1 47 TYR HB3 1 50 ASP QB . . 3.380 2.276 2.049 2.534 . 0 0 "[ . 1 . 2]" 1
932 1 48 SER QB 1 52 GLY QA . . 4.630 3.528 2.917 4.327 . 0 0 "[ . 1 . 2]" 1
933 1 49 VAL QG 1 50 ASP H . . 4.010 2.501 1.939 3.387 . 0 0 "[ . 1 . 2]" 1
934 1 54 ARG H 1 54 ARG QD . . 4.890 4.078 2.342 4.854 . 0 0 "[ . 1 . 2]" 1
935 1 55 LYS H 1 55 LYS QB . . 3.650 2.720 2.100 3.376 . 0 0 "[ . 1 . 2]" 1
936 1 55 LYS QB 1 58 ALA H . . 4.940 2.893 2.236 3.470 . 0 0 "[ . 1 . 2]" 1
937 1 55 LYS QB 1 58 ALA HA . . 4.680 4.242 3.931 4.703 0.023 4 0 "[ . 1 . 2]" 1
938 1 55 LYS QB 1 58 ALA MB . . 3.170 1.827 1.696 1.920 . 0 0 "[ . 1 . 2]" 1
939 1 59 PHE HA 1 63 VAL QG . . 4.560 3.898 3.532 4.447 . 0 0 "[ . 1 . 2]" 1
940 1 59 PHE QB 1 60 ARG H . . 3.660 2.603 2.461 2.763 . 0 0 "[ . 1 . 2]" 1
941 1 60 ARG HA 1 63 VAL QG . . 3.870 2.833 1.955 3.206 . 0 0 "[ . 1 . 2]" 1
942 1 60 ARG HB2 1 63 VAL QG . . 5.440 5.114 4.255 5.442 0.002 3 0 "[ . 1 . 2]" 1
943 1 60 ARG HB2 1 64 GLU QG . . 5.180 4.966 4.453 5.182 0.002 3 0 "[ . 1 . 2]" 1
944 1 60 ARG HB3 1 64 GLU QG . . 3.790 3.658 3.322 3.796 0.006 19 0 "[ . 1 . 2]" 1
945 1 60 ARG QG 1 64 GLU QG . . 5.340 4.561 2.771 5.352 0.012 18 0 "[ . 1 . 2]" 1
946 1 61 ILE HA 1 64 GLU QG . . 4.510 3.073 2.083 3.860 . 0 0 "[ . 1 . 2]" 1
947 1 62 GLN H 1 63 VAL QG . . 4.340 4.003 3.859 4.109 . 0 0 "[ . 1 . 2]" 1
948 1 63 VAL H 1 63 VAL QG . . 3.150 2.054 1.939 2.187 . 0 0 "[ . 1 . 2]" 1
949 1 63 VAL QG 1 64 GLU H . . 3.630 3.217 2.063 3.385 . 0 0 "[ . 1 . 2]" 1
950 1 63 VAL QG 1 66 VAL MG1 . . 3.810 3.479 3.298 3.779 . 0 0 "[ . 1 . 2]" 1
951 1 63 VAL QG 1 66 VAL MG2 . . 5.440 3.981 3.748 4.236 . 0 0 "[ . 1 . 2]" 1
952 1 63 VAL QG 1 67 PHE H . . 4.340 3.718 3.457 3.937 . 0 0 "[ . 1 . 2]" 1
953 1 63 VAL QG 1 67 PHE HB2 . . 3.650 2.920 2.585 3.391 . 0 0 "[ . 1 . 2]" 1
954 1 64 GLU H 1 64 GLU QG . . 3.120 2.654 2.328 2.974 . 0 0 "[ . 1 . 2]" 1
955 1 64 GLU QG 1 65 LYS H . . 4.890 4.179 3.914 4.332 . 0 0 "[ . 1 . 2]" 1
956 1 68 SER HA 1 71 SER QB . . 4.420 3.817 3.163 4.178 . 0 0 "[ . 1 . 2]" 1
957 1 69 ILE HA 1 73 GLU QB . . 4.360 3.728 3.498 4.085 . 0 0 "[ . 1 . 2]" 1
958 1 69 ILE MG 1 73 GLU QB . . 3.530 3.461 3.330 3.546 0.016 16 0 "[ . 1 . 2]" 1
959 1 69 ILE MG 1 73 GLU QG . . 4.850 4.169 3.410 4.857 0.007 3 0 "[ . 1 . 2]" 1
960 1 69 ILE MD 1 73 GLU QB . . 4.250 3.623 3.095 3.985 . 0 0 "[ . 1 . 2]" 1
961 1 70 ILE HA 1 73 GLU QB . . 4.110 3.042 2.683 3.265 . 0 0 "[ . 1 . 2]" 1
962 1 70 ILE HA 1 73 GLU QG . . 5.100 4.817 4.204 5.103 0.003 18 0 "[ . 1 . 2]" 1
963 1 70 ILE MG 1 73 GLU QB . . 4.890 4.383 4.147 4.588 . 0 0 "[ . 1 . 2]" 1
964 1 71 SER H 1 71 SER QB . . 3.570 2.702 2.246 2.911 . 0 0 "[ . 1 . 2]" 1
965 1 71 SER QB 1 72 SER H . . 3.830 2.709 2.344 3.210 . 0 0 "[ . 1 . 2]" 1
966 1 71 SER QB 1 75 GLU HA . . 4.810 4.475 4.158 4.812 0.002 16 0 "[ . 1 . 2]" 1
967 1 73 GLU H 1 73 GLU QG . . 3.850 3.462 2.657 3.935 0.085 7 0 "[ . 1 . 2]" 1
968 1 73 GLU QB 1 74 LYS QD . . 3.500 2.771 2.003 3.501 0.001 7 0 "[ . 1 . 2]" 1
969 1 73 GLU QG 1 74 LYS H . . 4.970 4.225 3.359 4.384 . 0 0 "[ . 1 . 2]" 1
970 1 74 LYS H 1 75 GLU QG . . 5.340 4.572 3.777 5.348 0.008 4 0 "[ . 1 . 2]" 1
971 1 75 GLU H 1 75 GLU QB . . 3.530 3.156 2.874 3.428 . 0 0 "[ . 1 . 2]" 1
972 1 75 GLU H 1 75 GLU QG . . 4.080 3.168 2.583 3.746 . 0 0 "[ . 1 . 2]" 1
973 1 75 GLU QB 1 76 LEU H . . 4.020 3.126 1.948 3.928 . 0 0 "[ . 1 . 2]" 1
974 1 75 GLU QG 1 76 LEU H . . 5.010 3.677 2.291 4.758 . 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 40
_Distance_constraint_stats_list.Viol_count 424
_Distance_constraint_stats_list.Viol_total 906.743
_Distance_constraint_stats_list.Viol_max 0.216
_Distance_constraint_stats_list.Viol_rms 0.0741
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0567
_Distance_constraint_stats_list.Viol_average_violations_only 0.1069
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 15 ARG 0.935 0.167 17 0 "[ . 1 . 2]"
1 17 LEU 5.232 0.214 5 0 "[ . 1 . 2]"
1 18 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLN 6.644 0.210 14 0 "[ . 1 . 2]"
1 20 ARG 4.333 0.216 2 0 "[ . 1 . 2]"
1 21 VAL 5.232 0.214 5 0 "[ . 1 . 2]"
1 22 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLN 5.709 0.210 14 0 "[ . 1 . 2]"
1 24 TYR 4.333 0.216 2 0 "[ . 1 . 2]"
1 25 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 THR 2.613 0.211 13 0 "[ . 1 . 2]"
1 38 ILE 3.599 0.206 6 0 "[ . 1 . 2]"
1 39 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ALA 5.490 0.211 13 0 "[ . 1 . 2]"
1 41 SER 1.915 0.209 19 0 "[ . 1 . 2]"
1 42 ASP 5.293 0.206 6 0 "[ . 1 . 2]"
1 43 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLN 2.877 0.203 10 0 "[ . 1 . 2]"
1 45 ARG 1.915 0.209 19 0 "[ . 1 . 2]"
1 46 LEU 1.693 0.205 16 0 "[ . 1 . 2]"
1 57 ASN 4.918 0.213 15 0 "[ . 1 . 2]"
1 58 ALA 3.108 0.208 9 0 "[ . 1 . 2]"
1 59 PHE 3.504 0.204 9 0 "[ . 1 . 2]"
1 60 ARG 1.543 0.200 16 0 "[ . 1 . 2]"
1 61 ILE 7.072 0.213 15 0 "[ . 1 . 2]"
1 62 GLN 3.520 0.208 9 0 "[ . 1 . 2]"
1 63 VAL 4.000 0.204 9 0 "[ . 1 . 2]"
1 64 GLU 1.543 0.200 16 0 "[ . 1 . 2]"
1 65 LYS 2.154 0.200 18 0 "[ . 1 . 2]"
1 66 VAL 0.708 0.201 12 0 "[ . 1 . 2]"
1 67 PHE 0.495 0.201 5 0 "[ . 1 . 2]"
1 70 ILE 0.296 0.051 9 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 15 ARG O 1 19 GLN N . . 3.000 2.967 2.778 3.141 0.141 17 0 "[ . 1 . 2]" 2
2 1 15 ARG O 1 19 GLN H . . 2.000 1.992 1.801 2.167 0.167 17 0 "[ . 1 . 2]" 2
3 1 17 LEU O 1 21 VAL N . . 3.000 3.058 3.036 3.081 0.081 16 0 "[ . 1 . 2]" 2
4 1 17 LEU O 1 21 VAL H . . 2.000 2.204 2.171 2.214 0.214 5 0 "[ . 1 . 2]" 2
5 1 18 LYS O 1 22 ILE N . . 3.000 2.769 2.730 2.847 . 0 0 "[ . 1 . 2]" 2
6 1 18 LYS O 1 22 ILE H . . 2.000 1.797 1.753 1.874 . 0 0 "[ . 1 . 2]" 2
7 1 19 GLN O 1 23 GLN N . . 3.000 3.084 3.033 3.115 0.115 17 0 "[ . 1 . 2]" 2
8 1 19 GLN O 1 23 GLN H . . 2.000 2.201 2.161 2.210 0.210 14 0 "[ . 1 . 2]" 2
9 1 20 ARG O 1 24 TYR N . . 3.000 3.001 2.973 3.029 0.029 12 0 "[ . 1 . 2]" 2
10 1 20 ARG O 1 24 TYR H . . 2.000 2.211 2.205 2.216 0.216 2 0 "[ . 1 . 2]" 2
11 1 21 VAL O 1 25 LEU N . . 3.000 2.872 2.808 2.911 . 0 0 "[ . 1 . 2]" 2
12 1 21 VAL O 1 25 LEU H . . 2.000 1.934 1.864 1.976 . 0 0 "[ . 1 . 2]" 2
13 1 36 THR O 1 40 ALA N . . 3.000 3.008 2.680 3.155 0.155 10 0 "[ . 1 . 2]" 2
14 1 36 THR O 1 40 ALA H . . 2.000 2.059 1.710 2.211 0.211 13 0 "[ . 1 . 2]" 2
15 1 38 ILE O 1 42 ASP N . . 3.000 3.037 2.835 3.160 0.160 17 0 "[ . 1 . 2]" 2
16 1 38 ILE O 1 42 ASP H . . 2.000 2.109 1.871 2.206 0.206 6 0 "[ . 1 . 2]" 2
17 1 39 LEU O 1 43 LEU N . . 3.000 2.677 2.601 2.760 . 0 0 "[ . 1 . 2]" 2
18 1 39 LEU O 1 43 LEU H . . 2.000 1.723 1.661 1.802 . 0 0 "[ . 1 . 2]" 2
19 1 40 ALA O 1 44 GLN N . . 3.000 2.982 2.720 3.149 0.149 2 0 "[ . 1 . 2]" 2
20 1 40 ALA O 1 44 GLN H . . 2.000 2.071 1.855 2.203 0.203 10 0 "[ . 1 . 2]" 2
21 1 41 SER O 1 45 ARG N . . 3.000 2.895 2.633 3.073 0.073 19 0 "[ . 1 . 2]" 2
22 1 41 SER O 1 45 ARG H . . 2.000 2.046 1.764 2.209 0.209 19 0 "[ . 1 . 2]" 2
23 1 42 ASP O 1 46 LEU N . . 3.000 3.007 2.841 3.166 0.166 16 0 "[ . 1 . 2]" 2
24 1 42 ASP O 1 46 LEU H . . 2.000 2.041 1.885 2.205 0.205 16 0 "[ . 1 . 2]" 2
25 1 57 ASN O 1 61 ILE N . . 3.000 3.077 2.884 3.168 0.168 15 0 "[ . 1 . 2]" 2
26 1 57 ASN O 1 61 ILE H . . 2.000 2.153 1.946 2.213 0.213 15 0 "[ . 1 . 2]" 2
27 1 58 ALA O 1 62 GLN N . . 3.000 3.021 2.830 3.139 0.139 13 0 "[ . 1 . 2]" 2
28 1 58 ALA O 1 62 GLN H . . 2.000 2.097 1.956 2.208 0.208 9 0 "[ . 1 . 2]" 2
29 1 59 PHE O 1 63 VAL N . . 3.000 3.051 2.888 3.149 0.149 9 0 "[ . 1 . 2]" 2
30 1 59 PHE O 1 63 VAL H . . 2.000 2.104 1.947 2.204 0.204 9 0 "[ . 1 . 2]" 2
31 1 60 ARG O 1 64 GLU N . . 3.000 2.912 2.644 3.067 0.067 16 0 "[ . 1 . 2]" 2
32 1 60 ARG O 1 64 GLU H . . 2.000 2.049 1.813 2.200 0.200 16 0 "[ . 1 . 2]" 2
33 1 61 ILE O 1 65 LYS N . . 3.000 3.018 2.904 3.140 0.140 18 0 "[ . 1 . 2]" 2
34 1 61 ILE O 1 65 LYS H . . 2.000 2.065 1.940 2.200 0.200 18 0 "[ . 1 . 2]" 2
35 1 62 GLN O 1 66 VAL N . . 3.000 2.817 2.658 3.046 0.046 12 0 "[ . 1 . 2]" 2
36 1 62 GLN O 1 66 VAL H . . 2.000 1.947 1.732 2.201 0.201 12 0 "[ . 1 . 2]" 2
37 1 63 VAL O 1 67 PHE N . . 3.000 2.748 2.595 2.996 . 0 0 "[ . 1 . 2]" 2
38 1 63 VAL O 1 67 PHE H . . 2.000 1.933 1.788 2.201 0.201 5 0 "[ . 1 . 2]" 2
39 1 66 VAL O 1 70 ILE N . . 3.000 2.930 2.799 2.997 . 0 0 "[ . 1 . 2]" 2
40 1 66 VAL O 1 70 ILE H . . 2.000 1.995 1.854 2.051 0.051 9 0 "[ . 1 . 2]" 2
stop_
save_
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