Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
415953 | 2di8 RC | 10334 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2di8
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 1870
_Distance_constraint_stats_list.Viol_count 410
_Distance_constraint_stats_list.Viol_total 51.726
_Distance_constraint_stats_list.Viol_max 0.054
_Distance_constraint_stats_list.Viol_rms 0.0011
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0063
_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 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ILE 0.178 0.027 4 0 "[ . 1 . 2]"
1 9 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ASP 0.002 0.001 9 0 "[ . 1 . 2]"
1 11 ALA 0.006 0.002 2 0 "[ . 1 . 2]"
1 12 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ARG 0.050 0.013 20 0 "[ . 1 . 2]"
1 14 ALA 0.004 0.004 3 0 "[ . 1 . 2]"
1 15 LYS 0.008 0.002 15 0 "[ . 1 . 2]"
1 16 VAL 0.014 0.005 10 0 "[ . 1 . 2]"
1 17 TYR 0.005 0.002 14 0 "[ . 1 . 2]"
1 18 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLY 0.002 0.002 18 0 "[ . 1 . 2]"
1 21 LEU 0.012 0.005 10 0 "[ . 1 . 2]"
1 22 SER 0.001 0.000 16 0 "[ . 1 . 2]"
1 23 GLU 0.004 0.002 15 0 "[ . 1 . 2]"
1 24 GLY 0.105 0.029 18 0 "[ . 1 . 2]"
1 25 ARG 0.136 0.029 18 0 "[ . 1 . 2]"
1 26 THR 0.008 0.002 1 0 "[ . 1 . 2]"
1 27 PHE 0.000 0.000 10 0 "[ . 1 . 2]"
1 28 GLU 0.072 0.016 18 0 "[ . 1 . 2]"
1 29 MET 0.016 0.010 18 0 "[ . 1 . 2]"
1 30 SER 0.002 0.002 18 0 "[ . 1 . 2]"
1 31 ASP 0.002 0.002 16 0 "[ . 1 . 2]"
1 32 PHE 0.169 0.014 15 0 "[ . 1 . 2]"
1 33 ILE 0.478 0.029 17 0 "[ . 1 . 2]"
1 34 VAL 0.631 0.029 17 0 "[ . 1 . 2]"
1 35 ASP 0.014 0.005 11 0 "[ . 1 . 2]"
1 36 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ARG 0.028 0.021 16 0 "[ . 1 . 2]"
1 38 ASP 0.001 0.001 13 0 "[ . 1 . 2]"
1 39 ALA 0.005 0.003 16 0 "[ . 1 . 2]"
1 40 GLY 0.001 0.001 13 0 "[ . 1 . 2]"
1 41 TYR 0.002 0.002 16 0 "[ . 1 . 2]"
1 42 GLY 0.002 0.001 17 0 "[ . 1 . 2]"
1 43 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ILE 0.004 0.002 13 0 "[ . 1 . 2]"
1 45 SER 0.010 0.003 11 0 "[ . 1 . 2]"
1 46 LEU 0.001 0.001 16 0 "[ . 1 . 2]"
1 47 ALA 0.007 0.003 17 0 "[ . 1 . 2]"
1 48 VAL 0.018 0.009 9 0 "[ . 1 . 2]"
1 49 GLU 0.013 0.009 9 0 "[ . 1 . 2]"
1 50 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 PRO 0.030 0.005 2 0 "[ . 1 . 2]"
1 52 SER 0.061 0.030 18 0 "[ . 1 . 2]"
1 53 LYS 0.002 0.002 15 0 "[ . 1 . 2]"
1 54 VAL 0.035 0.017 17 0 "[ . 1 . 2]"
1 55 ASP 0.061 0.025 17 0 "[ . 1 . 2]"
1 56 ILE 0.071 0.025 17 0 "[ . 1 . 2]"
1 57 GLN 0.079 0.029 19 0 "[ . 1 . 2]"
1 58 THR 0.028 0.009 6 0 "[ . 1 . 2]"
1 59 GLU 0.023 0.009 6 0 "[ . 1 . 2]"
1 60 ASP 0.001 0.001 3 0 "[ . 1 . 2]"
1 61 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 THR 0.002 0.001 20 0 "[ . 1 . 2]"
1 66 CYS 0.007 0.005 16 0 "[ . 1 . 2]"
1 67 LYS 0.005 0.005 16 0 "[ . 1 . 2]"
1 68 VAL 0.020 0.011 19 0 "[ . 1 . 2]"
1 69 SER 0.082 0.037 19 0 "[ . 1 . 2]"
1 70 TYR 0.050 0.006 19 0 "[ . 1 . 2]"
1 71 PHE 0.032 0.012 1 0 "[ . 1 . 2]"
1 72 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 THR 0.008 0.004 18 0 "[ . 1 . 2]"
1 74 VAL 0.033 0.005 2 0 "[ . 1 . 2]"
1 75 PRO 0.008 0.003 15 0 "[ . 1 . 2]"
1 76 GLY 0.005 0.002 2 0 "[ . 1 . 2]"
1 77 VAL 0.005 0.003 18 0 "[ . 1 . 2]"
1 78 TYR 0.009 0.002 1 0 "[ . 1 . 2]"
1 79 ILE 0.004 0.002 1 0 "[ . 1 . 2]"
1 80 VAL 0.036 0.007 17 0 "[ . 1 . 2]"
1 81 SER 0.007 0.003 17 0 "[ . 1 . 2]"
1 82 THR 0.049 0.006 18 0 "[ . 1 . 2]"
1 83 LYS 0.109 0.010 18 0 "[ . 1 . 2]"
1 84 PHE 0.018 0.003 11 0 "[ . 1 . 2]"
1 85 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ASP 0.019 0.007 18 0 "[ . 1 . 2]"
1 87 GLU 0.019 0.005 16 0 "[ . 1 . 2]"
1 88 HIS 0.804 0.054 20 0 "[ . 1 . 2]"
1 89 VAL 0.519 0.054 20 0 "[ . 1 . 2]"
1 90 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 SER 0.141 0.013 12 0 "[ . 1 . 2]"
1 93 PRO 0.172 0.012 16 0 "[ . 1 . 2]"
1 94 PHE 0.048 0.007 17 0 "[ . 1 . 2]"
1 95 THR 0.000 0.000 2 0 "[ . 1 . 2]"
1 96 VAL 0.001 0.001 14 0 "[ . 1 . 2]"
1 97 LYS 0.006 0.003 18 0 "[ . 1 . 2]"
1 98 ILE 0.017 0.004 18 0 "[ . 1 . 2]"
1 99 SER 0.008 0.003 15 0 "[ . 1 . 2]"
1 100 GLY 0.000 0.000 19 0 "[ . 1 . 2]"
1 101 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 ARG 0.003 0.003 17 0 "[ . 1 . 2]"
1 104 VAL 0.021 0.007 7 0 "[ . 1 . 2]"
1 107 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 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 7 GLY QA 1 8 ILE H . . 3.010 2.435 2.116 2.892 . 0 0 "[ . 1 . 2]" 1
2 1 7 GLY QA 1 41 TYR QD . . 4.730 3.209 1.959 4.714 . 0 0 "[ . 1 . 2]" 1
3 1 8 ILE H 1 8 ILE HB . . 3.810 3.357 2.348 3.822 0.012 11 0 "[ . 1 . 2]" 1
4 1 8 ILE H 1 8 ILE MD . . 4.870 3.361 1.737 3.989 . 0 0 "[ . 1 . 2]" 1
5 1 8 ILE H 1 8 ILE HG12 . . 4.190 2.853 1.915 4.142 . 0 0 "[ . 1 . 2]" 1
6 1 8 ILE H 1 8 ILE QG . . 3.520 2.414 1.904 3.289 . 0 0 "[ . 1 . 2]" 1
7 1 8 ILE H 1 8 ILE HG13 . . 4.190 2.997 1.913 4.161 . 0 0 "[ . 1 . 2]" 1
8 1 8 ILE H 1 8 ILE MG . . 3.960 3.204 2.400 3.964 0.004 12 0 "[ . 1 . 2]" 1
9 1 8 ILE H 1 9 GLY H . . 4.680 4.482 4.323 4.620 . 0 0 "[ . 1 . 2]" 1
10 1 8 ILE H 1 41 TYR QB . . 4.850 3.595 2.546 4.696 . 0 0 "[ . 1 . 2]" 1
11 1 8 ILE HA 1 8 ILE MD . . 4.070 3.407 1.995 4.097 0.027 4 0 "[ . 1 . 2]" 1
12 1 8 ILE HA 1 8 ILE MG . . 3.490 2.328 2.107 2.527 . 0 0 "[ . 1 . 2]" 1
13 1 8 ILE HA 1 9 GLY H . . 2.650 2.332 2.188 2.622 . 0 0 "[ . 1 . 2]" 1
14 1 8 ILE HA 1 41 TYR QB . . 4.430 3.373 2.052 4.166 . 0 0 "[ . 1 . 2]" 1
15 1 8 ILE HA 1 41 TYR QD . . 4.720 4.222 3.487 4.714 . 0 0 "[ . 1 . 2]" 1
16 1 8 ILE HA 1 85 ALA MB . . 4.790 3.753 3.197 4.474 . 0 0 "[ . 1 . 2]" 1
17 1 8 ILE HB 1 8 ILE MD . . 3.670 2.517 2.094 3.225 . 0 0 "[ . 1 . 2]" 1
18 1 8 ILE HB 1 9 GLY H . . 3.990 3.027 1.988 3.985 . 0 0 "[ . 1 . 2]" 1
19 1 8 ILE MD 1 41 TYR QB . . 5.500 4.826 3.556 5.500 . 0 0 "[ . 1 . 2]" 1
20 1 8 ILE QG 1 9 GLY H . . 4.660 3.916 2.663 4.619 . 0 0 "[ . 1 . 2]" 1
21 1 8 ILE QG 1 41 TYR QB . . 5.060 4.512 3.616 5.062 0.002 16 0 "[ . 1 . 2]" 1
22 1 8 ILE MG 1 9 GLY H . . 3.940 3.068 1.947 3.937 . 0 0 "[ . 1 . 2]" 1
23 1 9 GLY H 1 41 TYR H . . 4.510 3.264 2.186 4.282 . 0 0 "[ . 1 . 2]" 1
24 1 9 GLY H 1 41 TYR QB . . 4.850 4.387 3.808 4.821 . 0 0 "[ . 1 . 2]" 1
25 1 9 GLY H 1 85 ALA MB . . 4.500 2.966 2.561 3.629 . 0 0 "[ . 1 . 2]" 1
26 1 9 GLY QA 1 11 ALA H . . 5.340 5.052 4.607 5.339 . 0 0 "[ . 1 . 2]" 1
27 1 9 GLY QA 1 40 GLY H . . 5.260 3.989 3.644 4.401 . 0 0 "[ . 1 . 2]" 1
28 1 9 GLY QA 1 40 GLY HA3 . . 4.080 2.294 1.899 2.949 . 0 0 "[ . 1 . 2]" 1
29 1 9 GLY QA 1 41 TYR H . . 3.810 2.328 1.840 2.870 . 0 0 "[ . 1 . 2]" 1
30 1 9 GLY QA 1 84 PHE QE . . 3.950 2.308 1.996 3.221 . 0 0 "[ . 1 . 2]" 1
31 1 9 GLY QA 1 85 ALA MB . . 4.500 3.658 2.813 4.458 . 0 0 "[ . 1 . 2]" 1
32 1 9 GLY HA2 1 10 ASP H . . 3.480 2.729 2.366 3.160 . 0 0 "[ . 1 . 2]" 1
33 1 9 GLY HA3 1 10 ASP H . . 3.480 2.430 2.148 2.778 . 0 0 "[ . 1 . 2]" 1
34 1 10 ASP H 1 10 ASP HB2 . . 3.940 2.819 2.483 3.134 . 0 0 "[ . 1 . 2]" 1
35 1 10 ASP H 1 10 ASP QB . . 3.420 2.663 2.442 2.920 . 0 0 "[ . 1 . 2]" 1
36 1 10 ASP H 1 10 ASP HB3 . . 3.940 3.517 2.876 3.941 0.001 2 0 "[ . 1 . 2]" 1
37 1 10 ASP H 1 11 ALA H . . 4.440 4.080 3.795 4.419 . 0 0 "[ . 1 . 2]" 1
38 1 10 ASP H 1 39 ALA HA . . 4.460 3.272 2.732 3.843 . 0 0 "[ . 1 . 2]" 1
39 1 10 ASP H 1 39 ALA MB . . 4.120 2.483 1.971 3.203 . 0 0 "[ . 1 . 2]" 1
40 1 10 ASP H 1 40 GLY HA3 . . 4.760 3.865 3.292 4.677 . 0 0 "[ . 1 . 2]" 1
41 1 10 ASP H 1 84 PHE QD . . 4.710 4.144 3.791 4.642 . 0 0 "[ . 1 . 2]" 1
42 1 10 ASP H 1 84 PHE QE . . 3.880 2.335 1.999 2.782 . 0 0 "[ . 1 . 2]" 1
43 1 10 ASP HA 1 11 ALA H . . 2.820 2.157 2.139 2.231 . 0 0 "[ . 1 . 2]" 1
44 1 10 ASP HA 1 11 ALA HA . . 4.710 4.413 4.348 4.505 . 0 0 "[ . 1 . 2]" 1
45 1 10 ASP HA 1 11 ALA MB . . 4.120 3.972 3.914 4.033 . 0 0 "[ . 1 . 2]" 1
46 1 10 ASP HA 1 12 ARG H . . 4.030 3.790 3.461 3.991 . 0 0 "[ . 1 . 2]" 1
47 1 10 ASP QB 1 11 ALA H . . 3.950 3.602 3.257 3.890 . 0 0 "[ . 1 . 2]" 1
48 1 10 ASP QB 1 12 ARG H . . 4.350 3.375 2.784 4.114 . 0 0 "[ . 1 . 2]" 1
49 1 10 ASP QB 1 13 ARG H . . 4.000 2.792 2.558 3.072 . 0 0 "[ . 1 . 2]" 1
50 1 10 ASP QB 1 13 ARG HA . . 5.010 4.650 4.286 4.989 . 0 0 "[ . 1 . 2]" 1
51 1 10 ASP QB 1 13 ARG HB2 . . 4.420 2.866 2.058 3.515 . 0 0 "[ . 1 . 2]" 1
52 1 10 ASP QB 1 13 ARG HB3 . . 4.690 4.139 3.506 4.691 0.001 9 0 "[ . 1 . 2]" 1
53 1 10 ASP QB 1 13 ARG QD . . 4.130 3.687 1.789 4.110 . 0 0 "[ . 1 . 2]" 1
54 1 10 ASP QB 1 13 ARG QG . . 3.850 2.190 1.859 3.725 . 0 0 "[ . 1 . 2]" 1
55 1 10 ASP QB 1 14 ALA H . . 4.750 4.409 4.091 4.739 . 0 0 "[ . 1 . 2]" 1
56 1 10 ASP QB 1 39 ALA HA . . 4.670 3.603 2.956 4.424 . 0 0 "[ . 1 . 2]" 1
57 1 10 ASP QB 1 39 ALA MB . . 4.640 3.656 3.216 4.282 . 0 0 "[ . 1 . 2]" 1
58 1 10 ASP HB2 1 11 ALA H . . 4.820 4.397 4.093 4.588 . 0 0 "[ . 1 . 2]" 1
59 1 10 ASP HB3 1 11 ALA H . . 4.820 3.836 3.419 4.225 . 0 0 "[ . 1 . 2]" 1
60 1 11 ALA H 1 11 ALA MB . . 2.980 2.130 2.031 2.235 . 0 0 "[ . 1 . 2]" 1
61 1 11 ALA H 1 12 ARG H . . 3.550 2.788 2.545 2.894 . 0 0 "[ . 1 . 2]" 1
62 1 11 ALA H 1 12 ARG HA . . 5.500 5.350 5.144 5.438 . 0 0 "[ . 1 . 2]" 1
63 1 11 ALA H 1 84 PHE HB3 . . 5.180 4.389 4.073 4.742 . 0 0 "[ . 1 . 2]" 1
64 1 11 ALA H 1 84 PHE QD . . 4.330 2.808 2.494 3.076 . 0 0 "[ . 1 . 2]" 1
65 1 11 ALA H 1 87 GLU HB2 . . 4.370 3.243 2.658 3.678 . 0 0 "[ . 1 . 2]" 1
66 1 11 ALA HA 1 13 ARG H . . 4.280 3.913 3.503 4.251 . 0 0 "[ . 1 . 2]" 1
67 1 11 ALA HA 1 14 ALA H . . 4.120 3.062 2.875 3.233 . 0 0 "[ . 1 . 2]" 1
68 1 11 ALA HA 1 14 ALA MB . . 3.520 2.204 2.020 2.407 . 0 0 "[ . 1 . 2]" 1
69 1 11 ALA HA 1 39 ALA MB . . 4.390 3.505 3.205 3.966 . 0 0 "[ . 1 . 2]" 1
70 1 11 ALA HA 1 84 PHE HB2 . . 4.260 4.146 3.886 4.248 . 0 0 "[ . 1 . 2]" 1
71 1 11 ALA HA 1 84 PHE HB3 . . 3.630 2.735 2.600 2.833 . 0 0 "[ . 1 . 2]" 1
72 1 11 ALA HA 1 84 PHE QD . . 3.520 2.220 2.000 2.521 . 0 0 "[ . 1 . 2]" 1
73 1 11 ALA MB 1 12 ARG H . . 3.570 2.643 2.432 2.988 . 0 0 "[ . 1 . 2]" 1
74 1 11 ALA MB 1 12 ARG HA . . 4.670 3.750 3.642 3.859 . 0 0 "[ . 1 . 2]" 1
75 1 11 ALA MB 1 83 LYS HA . . 4.740 4.170 3.794 4.397 . 0 0 "[ . 1 . 2]" 1
76 1 11 ALA MB 1 84 PHE H . . 3.780 3.127 2.884 3.387 . 0 0 "[ . 1 . 2]" 1
77 1 11 ALA MB 1 84 PHE HA . . 5.390 4.608 4.279 4.889 . 0 0 "[ . 1 . 2]" 1
78 1 11 ALA MB 1 84 PHE HB2 . . 4.380 3.879 3.603 4.153 . 0 0 "[ . 1 . 2]" 1
79 1 11 ALA MB 1 84 PHE HB3 . . 3.550 2.398 1.982 2.726 . 0 0 "[ . 1 . 2]" 1
80 1 11 ALA MB 1 84 PHE QD . . 3.670 2.663 2.244 2.993 . 0 0 "[ . 1 . 2]" 1
81 1 11 ALA MB 1 84 PHE QE . . 4.820 4.478 4.122 4.822 0.002 2 0 "[ . 1 . 2]" 1
82 1 11 ALA MB 1 85 ALA MB . . 4.210 3.868 3.526 4.180 . 0 0 "[ . 1 . 2]" 1
83 1 11 ALA MB 1 87 GLU H . . 4.010 3.835 3.656 4.011 0.001 5 0 "[ . 1 . 2]" 1
84 1 11 ALA MB 1 87 GLU HB2 . . 3.360 2.197 1.972 2.369 . 0 0 "[ . 1 . 2]" 1
85 1 11 ALA MB 1 87 GLU HB3 . . 3.600 2.107 1.963 2.434 . 0 0 "[ . 1 . 2]" 1
86 1 11 ALA MB 1 87 GLU HG2 . . 4.510 4.168 4.003 4.335 . 0 0 "[ . 1 . 2]" 1
87 1 11 ALA MB 1 87 GLU HG3 . . 4.300 4.163 3.957 4.302 0.002 12 0 "[ . 1 . 2]" 1
88 1 11 ALA MB 1 89 VAL H . . 4.580 3.581 3.271 3.851 . 0 0 "[ . 1 . 2]" 1
89 1 11 ALA MB 1 89 VAL HA . . 3.520 2.488 2.111 2.854 . 0 0 "[ . 1 . 2]" 1
90 1 11 ALA MB 1 89 VAL MG1 . . 3.270 3.059 2.779 3.272 0.002 4 0 "[ . 1 . 2]" 1
91 1 11 ALA MB 1 90 PRO HD2 . . 4.940 4.193 3.955 4.551 . 0 0 "[ . 1 . 2]" 1
92 1 11 ALA MB 1 90 PRO HD3 . . 4.350 3.308 2.952 3.691 . 0 0 "[ . 1 . 2]" 1
93 1 12 ARG H 1 12 ARG QB . . 2.960 2.403 2.212 2.556 . 0 0 "[ . 1 . 2]" 1
94 1 12 ARG H 1 12 ARG HD2 . . 4.800 3.901 2.083 4.795 . 0 0 "[ . 1 . 2]" 1
95 1 12 ARG H 1 12 ARG QD . . 4.110 3.258 1.821 3.964 . 0 0 "[ . 1 . 2]" 1
96 1 12 ARG H 1 12 ARG HD3 . . 4.800 3.674 1.912 4.701 . 0 0 "[ . 1 . 2]" 1
97 1 12 ARG H 1 12 ARG HG2 . . 3.980 2.991 2.031 3.967 . 0 0 "[ . 1 . 2]" 1
98 1 12 ARG H 1 12 ARG QG . . 3.490 2.446 1.992 3.328 . 0 0 "[ . 1 . 2]" 1
99 1 12 ARG H 1 12 ARG HG3 . . 3.980 3.165 2.005 3.975 . 0 0 "[ . 1 . 2]" 1
100 1 12 ARG H 1 13 ARG H . . 3.220 2.754 2.608 2.892 . 0 0 "[ . 1 . 2]" 1
101 1 12 ARG H 1 13 ARG HA . . 5.500 5.349 5.241 5.459 . 0 0 "[ . 1 . 2]" 1
102 1 12 ARG H 1 13 ARG HB2 . . 5.500 4.990 4.710 5.194 . 0 0 "[ . 1 . 2]" 1
103 1 12 ARG H 1 13 ARG QG . . 5.340 4.407 4.039 5.328 . 0 0 "[ . 1 . 2]" 1
104 1 12 ARG H 1 14 ALA H . . 4.270 4.105 3.792 4.260 . 0 0 "[ . 1 . 2]" 1
105 1 12 ARG H 1 14 ALA MB . . 4.880 4.664 4.400 4.853 . 0 0 "[ . 1 . 2]" 1
106 1 12 ARG H 1 90 PRO HD3 . . 4.730 3.935 3.669 4.288 . 0 0 "[ . 1 . 2]" 1
107 1 12 ARG HA 1 12 ARG QD . . 4.610 3.472 2.033 4.399 . 0 0 "[ . 1 . 2]" 1
108 1 12 ARG HA 1 12 ARG HG2 . . 4.040 3.146 2.488 3.739 . 0 0 "[ . 1 . 2]" 1
109 1 12 ARG HA 1 12 ARG QG . . 3.510 2.714 2.282 3.344 . 0 0 "[ . 1 . 2]" 1
110 1 12 ARG HA 1 12 ARG HG3 . . 4.040 3.216 2.308 3.876 . 0 0 "[ . 1 . 2]" 1
111 1 12 ARG HA 1 14 ALA H . . 4.610 4.298 4.059 4.544 . 0 0 "[ . 1 . 2]" 1
112 1 12 ARG HA 1 89 VAL HA . . 4.550 4.160 3.942 4.412 . 0 0 "[ . 1 . 2]" 1
113 1 12 ARG HA 1 90 PRO QB . . 4.570 2.737 2.428 3.068 . 0 0 "[ . 1 . 2]" 1
114 1 12 ARG HA 1 90 PRO HD2 . . 4.040 3.709 3.499 4.036 . 0 0 "[ . 1 . 2]" 1
115 1 12 ARG HA 1 90 PRO HD3 . . 3.610 2.116 1.999 2.377 . 0 0 "[ . 1 . 2]" 1
116 1 12 ARG HA 1 90 PRO HG2 . . 4.330 3.984 3.637 4.278 . 0 0 "[ . 1 . 2]" 1
117 1 12 ARG HA 1 90 PRO HG3 . . 3.680 2.420 2.001 2.741 . 0 0 "[ . 1 . 2]" 1
118 1 12 ARG QB 1 12 ARG QD . . 3.170 2.206 2.064 2.697 . 0 0 "[ . 1 . 2]" 1
119 1 12 ARG QB 1 13 ARG H . . 3.630 2.964 2.498 3.621 . 0 0 "[ . 1 . 2]" 1
120 1 12 ARG QB 1 90 PRO HG3 . . 4.930 3.819 3.467 4.143 . 0 0 "[ . 1 . 2]" 1
121 1 12 ARG QG 1 13 ARG H . . 4.790 3.797 2.105 4.758 . 0 0 "[ . 1 . 2]" 1
122 1 13 ARG H 1 13 ARG HB2 . . 3.260 2.457 2.265 2.594 . 0 0 "[ . 1 . 2]" 1
123 1 13 ARG H 1 13 ARG HB3 . . 4.120 3.608 3.542 3.685 . 0 0 "[ . 1 . 2]" 1
124 1 13 ARG H 1 13 ARG QD . . 4.120 3.918 2.060 4.133 0.013 20 0 "[ . 1 . 2]" 1
125 1 13 ARG H 1 13 ARG HG2 . . 4.100 2.683 2.147 4.079 . 0 0 "[ . 1 . 2]" 1
126 1 13 ARG H 1 13 ARG QG . . 3.390 2.467 2.129 3.227 . 0 0 "[ . 1 . 2]" 1
127 1 13 ARG H 1 13 ARG HG3 . . 4.100 3.381 2.346 4.012 . 0 0 "[ . 1 . 2]" 1
128 1 13 ARG H 1 14 ALA H . . 2.930 2.368 2.150 2.511 . 0 0 "[ . 1 . 2]" 1
129 1 13 ARG H 1 14 ALA MB . . 4.060 3.940 3.718 4.064 0.004 3 0 "[ . 1 . 2]" 1
130 1 13 ARG H 1 39 ALA HA . . 4.630 4.301 4.033 4.552 . 0 0 "[ . 1 . 2]" 1
131 1 13 ARG H 1 39 ALA MB . . 4.200 3.628 3.331 4.007 . 0 0 "[ . 1 . 2]" 1
132 1 13 ARG HA 1 13 ARG QD . . 3.730 2.627 1.989 3.741 0.011 20 0 "[ . 1 . 2]" 1
133 1 13 ARG HA 1 13 ARG HG2 . . 3.910 2.811 2.430 3.514 . 0 0 "[ . 1 . 2]" 1
134 1 13 ARG HA 1 13 ARG QG . . 3.270 2.677 2.266 2.913 . 0 0 "[ . 1 . 2]" 1
135 1 13 ARG HA 1 13 ARG HG3 . . 3.910 3.634 2.294 3.854 . 0 0 "[ . 1 . 2]" 1
136 1 13 ARG HB2 1 13 ARG QD . . 3.490 3.138 2.176 3.464 . 0 0 "[ . 1 . 2]" 1
137 1 13 ARG HB2 1 14 ALA H . . 3.820 2.886 2.743 3.136 . 0 0 "[ . 1 . 2]" 1
138 1 13 ARG HB2 1 39 ALA H . . 4.890 4.332 3.753 4.822 . 0 0 "[ . 1 . 2]" 1
139 1 13 ARG HB2 1 39 ALA HA . . 3.320 2.036 2.000 2.265 . 0 0 "[ . 1 . 2]" 1
140 1 13 ARG HB2 1 39 ALA MB . . 3.800 2.472 1.949 3.062 . 0 0 "[ . 1 . 2]" 1
141 1 13 ARG HB3 1 13 ARG QD . . 3.580 2.339 2.156 3.218 . 0 0 "[ . 1 . 2]" 1
142 1 13 ARG HB3 1 14 ALA H . . 3.930 3.853 3.632 3.920 . 0 0 "[ . 1 . 2]" 1
143 1 13 ARG HB3 1 14 ALA HA . . 5.020 4.520 4.263 4.672 . 0 0 "[ . 1 . 2]" 1
144 1 13 ARG HB3 1 38 ASP QB . . 3.890 3.442 2.586 3.878 . 0 0 "[ . 1 . 2]" 1
145 1 13 ARG HB3 1 39 ALA HA . . 3.690 2.666 2.056 3.336 . 0 0 "[ . 1 . 2]" 1
146 1 13 ARG HB3 1 39 ALA MB . . 4.460 3.395 2.974 4.079 . 0 0 "[ . 1 . 2]" 1
147 1 13 ARG QD 1 14 ALA H . . 5.230 5.010 4.108 5.230 . 0 0 "[ . 1 . 2]" 1
148 1 13 ARG QD 1 39 ALA HA . . 4.290 3.945 3.091 4.293 0.003 16 0 "[ . 1 . 2]" 1
149 1 13 ARG QD 1 39 ALA MB . . 4.910 4.671 4.223 4.909 . 0 0 "[ . 1 . 2]" 1
150 1 13 ARG QG 1 39 ALA HA . . 4.320 3.111 2.550 3.780 . 0 0 "[ . 1 . 2]" 1
151 1 13 ARG QG 1 39 ALA MB . . 5.160 3.904 3.372 4.714 . 0 0 "[ . 1 . 2]" 1
152 1 14 ALA H 1 14 ALA MB . . 2.880 2.040 2.023 2.104 . 0 0 "[ . 1 . 2]" 1
153 1 14 ALA H 1 15 LYS H . . 4.730 4.590 4.518 4.640 . 0 0 "[ . 1 . 2]" 1
154 1 14 ALA H 1 39 ALA MB . . 3.910 2.595 2.416 3.016 . 0 0 "[ . 1 . 2]" 1
155 1 14 ALA H 1 89 VAL MG1 . . 4.940 4.402 4.115 4.741 . 0 0 "[ . 1 . 2]" 1
156 1 14 ALA H 1 90 PRO HG3 . . 5.120 4.902 4.656 5.118 . 0 0 "[ . 1 . 2]" 1
157 1 14 ALA HA 1 15 LYS H . . 2.770 2.199 2.144 2.299 . 0 0 "[ . 1 . 2]" 1
158 1 14 ALA HA 1 15 LYS HB2 . . 5.330 4.256 4.163 4.658 . 0 0 "[ . 1 . 2]" 1
159 1 14 ALA HA 1 15 LYS QG . . 4.380 4.286 4.129 4.366 . 0 0 "[ . 1 . 2]" 1
160 1 14 ALA HA 1 36 THR MG . . 4.550 3.674 3.139 4.400 . 0 0 "[ . 1 . 2]" 1
161 1 14 ALA HA 1 39 ALA MB . . 3.830 2.533 2.157 2.847 . 0 0 "[ . 1 . 2]" 1
162 1 14 ALA MB 1 15 LYS H . . 3.250 2.996 2.742 3.207 . 0 0 "[ . 1 . 2]" 1
163 1 14 ALA MB 1 36 THR HA . . 3.910 2.774 2.489 3.325 . 0 0 "[ . 1 . 2]" 1
164 1 14 ALA MB 1 36 THR HB . . 4.650 4.095 3.702 4.499 . 0 0 "[ . 1 . 2]" 1
165 1 14 ALA MB 1 36 THR MG . . 3.400 2.258 1.890 2.997 . 0 0 "[ . 1 . 2]" 1
166 1 14 ALA MB 1 39 ALA MB . . 3.320 2.504 2.010 2.902 . 0 0 "[ . 1 . 2]" 1
167 1 14 ALA MB 1 84 PHE HB3 . . 4.200 3.373 3.153 3.546 . 0 0 "[ . 1 . 2]" 1
168 1 14 ALA MB 1 84 PHE QD . . 4.230 3.354 2.939 3.516 . 0 0 "[ . 1 . 2]" 1
169 1 14 ALA MB 1 84 PHE QE . . 4.830 4.040 3.839 4.204 . 0 0 "[ . 1 . 2]" 1
170 1 15 LYS H 1 15 LYS HB2 . . 3.470 2.443 2.351 2.583 . 0 0 "[ . 1 . 2]" 1
171 1 15 LYS H 1 15 LYS HB3 . . 3.800 3.602 3.549 3.695 . 0 0 "[ . 1 . 2]" 1
172 1 15 LYS H 1 15 LYS QD . . 4.760 4.278 2.034 4.747 . 0 0 "[ . 1 . 2]" 1
173 1 15 LYS H 1 15 LYS QG . . 3.660 3.365 3.124 3.534 . 0 0 "[ . 1 . 2]" 1
174 1 15 LYS H 1 16 VAL MG1 . . 4.540 4.222 3.869 4.501 . 0 0 "[ . 1 . 2]" 1
175 1 15 LYS H 1 35 ASP H . . 3.840 3.563 3.325 3.727 . 0 0 "[ . 1 . 2]" 1
176 1 15 LYS H 1 35 ASP HB2 . . 4.370 4.186 3.893 4.369 . 0 0 "[ . 1 . 2]" 1
177 1 15 LYS H 1 35 ASP HB3 . . 4.010 2.560 2.287 2.784 . 0 0 "[ . 1 . 2]" 1
178 1 15 LYS H 1 36 THR HA . . 4.520 3.946 3.678 4.180 . 0 0 "[ . 1 . 2]" 1
179 1 15 LYS H 1 36 THR MG . . 4.610 4.101 3.648 4.475 . 0 0 "[ . 1 . 2]" 1
180 1 15 LYS H 1 39 ALA MB . . 4.530 4.381 4.044 4.529 . 0 0 "[ . 1 . 2]" 1
181 1 15 LYS HB2 1 15 LYS QE . . 4.420 3.520 2.222 4.183 . 0 0 "[ . 1 . 2]" 1
182 1 15 LYS HB2 1 16 VAL H . . 4.170 4.036 3.695 4.172 0.002 15 0 "[ . 1 . 2]" 1
183 1 15 LYS HB2 1 17 TYR QD . . 4.490 4.196 3.629 4.425 . 0 0 "[ . 1 . 2]" 1
184 1 15 LYS HB2 1 17 TYR QE . . 3.900 3.217 2.879 3.549 . 0 0 "[ . 1 . 2]" 1
185 1 15 LYS HB2 1 35 ASP H . . 4.910 3.972 3.550 4.151 . 0 0 "[ . 1 . 2]" 1
186 1 15 LYS HB2 1 35 ASP HB2 . . 4.090 3.402 3.088 3.675 . 0 0 "[ . 1 . 2]" 1
187 1 15 LYS HB2 1 35 ASP HB3 . . 3.790 2.051 1.999 2.267 . 0 0 "[ . 1 . 2]" 1
188 1 15 LYS HB3 1 15 LYS QD . . 3.820 2.544 2.079 3.220 . 0 0 "[ . 1 . 2]" 1
189 1 15 LYS HB3 1 16 VAL H . . 3.380 2.772 2.457 2.957 . 0 0 "[ . 1 . 2]" 1
190 1 15 LYS HB3 1 17 TYR QD . . 3.710 2.824 2.685 3.016 . 0 0 "[ . 1 . 2]" 1
191 1 15 LYS HB3 1 17 TYR QE . . 3.930 2.924 2.442 3.489 . 0 0 "[ . 1 . 2]" 1
192 1 15 LYS HB3 1 35 ASP H . . 4.760 4.267 4.063 4.761 0.001 8 0 "[ . 1 . 2]" 1
193 1 15 LYS HB3 1 35 ASP HB2 . . 4.640 4.211 3.920 4.641 0.001 8 0 "[ . 1 . 2]" 1
194 1 15 LYS HB3 1 35 ASP HB3 . . 4.080 3.005 2.781 3.737 . 0 0 "[ . 1 . 2]" 1
195 1 15 LYS QD 1 16 VAL H . . 5.500 4.308 2.571 5.190 . 0 0 "[ . 1 . 2]" 1
196 1 15 LYS QD 1 17 TYR QE . . 4.840 3.936 3.223 4.836 . 0 0 "[ . 1 . 2]" 1
197 1 15 LYS QD 1 35 ASP HB3 . . 4.860 4.043 2.359 4.861 0.001 15 0 "[ . 1 . 2]" 1
198 1 15 LYS QE 1 17 TYR QE . . 5.380 4.542 3.017 5.356 . 0 0 "[ . 1 . 2]" 1
199 1 15 LYS QG 1 16 VAL H . . 4.100 3.609 3.293 4.058 . 0 0 "[ . 1 . 2]" 1
200 1 15 LYS QG 1 17 TYR QD . . 4.640 4.516 4.309 4.642 0.002 14 0 "[ . 1 . 2]" 1
201 1 15 LYS QG 1 17 TYR QE . . 4.850 4.537 4.017 4.849 . 0 0 "[ . 1 . 2]" 1
202 1 15 LYS QG 1 35 ASP HB3 . . 4.700 4.075 3.857 4.362 . 0 0 "[ . 1 . 2]" 1
203 1 16 VAL H 1 16 VAL HB . . 4.080 3.809 3.716 3.911 . 0 0 "[ . 1 . 2]" 1
204 1 16 VAL H 1 16 VAL MG2 . . 3.230 2.083 1.901 2.274 . 0 0 "[ . 1 . 2]" 1
205 1 16 VAL H 1 17 TYR HB3 . . 4.950 4.866 4.669 4.951 0.001 16 0 "[ . 1 . 2]" 1
206 1 16 VAL H 1 17 TYR QD . . 4.310 3.673 3.302 3.974 . 0 0 "[ . 1 . 2]" 1
207 1 16 VAL HA 1 16 VAL MG1 . . 3.290 2.224 2.051 2.378 . 0 0 "[ . 1 . 2]" 1
208 1 16 VAL HA 1 17 TYR H . . 2.740 2.148 2.140 2.172 . 0 0 "[ . 1 . 2]" 1
209 1 16 VAL HA 1 17 TYR QD . . 4.250 3.804 3.380 4.232 . 0 0 "[ . 1 . 2]" 1
210 1 16 VAL HA 1 33 ILE H . . 5.500 5.136 4.832 5.377 . 0 0 "[ . 1 . 2]" 1
211 1 16 VAL HA 1 33 ILE MG . . 4.750 3.997 3.792 4.148 . 0 0 "[ . 1 . 2]" 1
212 1 16 VAL HA 1 34 VAL HA . . 3.610 2.662 2.460 2.894 . 0 0 "[ . 1 . 2]" 1
213 1 16 VAL HA 1 35 ASP H . . 4.080 3.040 2.825 3.355 . 0 0 "[ . 1 . 2]" 1
214 1 16 VAL HB 1 17 TYR H . . 3.590 3.349 3.124 3.535 . 0 0 "[ . 1 . 2]" 1
215 1 16 VAL HB 1 21 LEU MD1 . . 3.560 2.027 1.859 2.192 . 0 0 "[ . 1 . 2]" 1
216 1 16 VAL HB 1 21 LEU MD2 . . 4.610 3.080 2.768 3.605 . 0 0 "[ . 1 . 2]" 1
217 1 16 VAL HB 1 32 PHE QD . . 4.390 3.788 3.488 4.111 . 0 0 "[ . 1 . 2]" 1
218 1 16 VAL HB 1 82 THR MG . . 4.920 4.507 3.903 4.775 . 0 0 "[ . 1 . 2]" 1
219 1 16 VAL HB 1 94 PHE QE . . 4.390 3.549 3.056 4.074 . 0 0 "[ . 1 . 2]" 1
220 1 16 VAL MG1 1 17 TYR H . . 4.400 3.864 3.666 4.089 . 0 0 "[ . 1 . 2]" 1
221 1 16 VAL MG1 1 21 LEU MD1 . . 3.450 3.252 2.928 3.451 0.001 6 0 "[ . 1 . 2]" 1
222 1 16 VAL MG1 1 21 LEU MD2 . . 3.720 3.519 3.179 3.725 0.005 10 0 "[ . 1 . 2]" 1
223 1 16 VAL MG1 1 32 PHE QD . . 4.030 3.563 2.848 4.028 . 0 0 "[ . 1 . 2]" 1
224 1 16 VAL MG1 1 34 VAL HA . . 3.470 2.574 2.149 2.878 . 0 0 "[ . 1 . 2]" 1
225 1 16 VAL MG1 1 35 ASP H . . 3.800 3.420 3.217 3.669 . 0 0 "[ . 1 . 2]" 1
226 1 16 VAL MG1 1 35 ASP HB3 . . 5.030 4.714 4.456 5.026 . 0 0 "[ . 1 . 2]" 1
227 1 16 VAL MG1 1 82 THR HB . . 4.230 3.898 3.482 4.111 . 0 0 "[ . 1 . 2]" 1
228 1 16 VAL MG1 1 82 THR HG1 . . 4.310 3.712 3.102 4.226 . 0 0 "[ . 1 . 2]" 1
229 1 16 VAL MG1 1 94 PHE QE . . 4.080 4.024 3.807 4.083 0.003 6 0 "[ . 1 . 2]" 1
230 1 16 VAL MG2 1 17 TYR H . . 5.050 4.129 3.973 4.308 . 0 0 "[ . 1 . 2]" 1
231 1 16 VAL MG2 1 21 LEU MD1 . . 3.220 2.664 2.124 3.169 . 0 0 "[ . 1 . 2]" 1
232 1 16 VAL MG2 1 21 LEU MD2 . . 3.850 3.509 2.893 3.844 . 0 0 "[ . 1 . 2]" 1
233 1 16 VAL MG2 1 82 THR HG1 . . 4.880 4.157 3.547 4.690 . 0 0 "[ . 1 . 2]" 1
234 1 16 VAL MG2 1 94 PHE QD . . 4.740 3.856 3.451 4.205 . 0 0 "[ . 1 . 2]" 1
235 1 16 VAL MG2 1 94 PHE QE . . 3.250 2.176 1.912 2.607 . 0 0 "[ . 1 . 2]" 1
236 1 17 TYR H 1 17 TYR HB2 . . 4.020 3.742 3.659 3.795 . 0 0 "[ . 1 . 2]" 1
237 1 17 TYR H 1 17 TYR QD . . 3.700 3.105 2.928 3.199 . 0 0 "[ . 1 . 2]" 1
238 1 17 TYR H 1 17 TYR QE . . 4.640 4.166 4.022 4.260 . 0 0 "[ . 1 . 2]" 1
239 1 17 TYR H 1 21 LEU MD1 . . 3.960 3.017 2.771 3.208 . 0 0 "[ . 1 . 2]" 1
240 1 17 TYR H 1 32 PHE HB2 . . 4.380 3.995 3.748 4.188 . 0 0 "[ . 1 . 2]" 1
241 1 17 TYR H 1 32 PHE QD . . 4.450 4.266 4.005 4.442 . 0 0 "[ . 1 . 2]" 1
242 1 17 TYR H 1 33 ILE H . . 3.730 3.560 3.317 3.719 . 0 0 "[ . 1 . 2]" 1
243 1 17 TYR H 1 33 ILE HB . . 4.440 3.596 3.322 3.832 . 0 0 "[ . 1 . 2]" 1
244 1 17 TYR H 1 33 ILE MG . . 4.430 3.528 3.394 3.683 . 0 0 "[ . 1 . 2]" 1
245 1 17 TYR H 1 34 VAL HA . . 4.100 3.859 3.633 4.071 . 0 0 "[ . 1 . 2]" 1
246 1 17 TYR HB2 1 18 GLY H . . 3.570 3.075 2.626 3.471 . 0 0 "[ . 1 . 2]" 1
247 1 17 TYR HB3 1 18 GLY H . . 4.080 3.836 3.564 4.037 . 0 0 "[ . 1 . 2]" 1
248 1 17 TYR HB3 1 21 LEU MD1 . . 4.980 4.501 4.147 4.968 . 0 0 "[ . 1 . 2]" 1
249 1 17 TYR QD 1 18 GLY H . . 4.730 4.411 4.089 4.702 . 0 0 "[ . 1 . 2]" 1
250 1 17 TYR QD 1 18 GLY QA . . 4.690 3.875 3.630 4.192 . 0 0 "[ . 1 . 2]" 1
251 1 17 TYR QD 1 21 LEU MD1 . . 5.330 4.631 4.358 4.957 . 0 0 "[ . 1 . 2]" 1
252 1 17 TYR QD 1 33 ILE H . . 4.590 3.805 3.366 4.112 . 0 0 "[ . 1 . 2]" 1
253 1 17 TYR QD 1 33 ILE HB . . 4.050 2.628 2.500 2.961 . 0 0 "[ . 1 . 2]" 1
254 1 17 TYR QD 1 33 ILE HG13 . . 4.910 4.150 3.911 4.345 . 0 0 "[ . 1 . 2]" 1
255 1 17 TYR QD 1 33 ILE MG . . 4.410 3.440 3.269 3.595 . 0 0 "[ . 1 . 2]" 1
256 1 17 TYR QE 1 33 ILE HB . . 3.860 2.552 2.085 2.824 . 0 0 "[ . 1 . 2]" 1
257 1 17 TYR QE 1 33 ILE MD . . 4.260 4.156 3.897 4.261 0.001 14 0 "[ . 1 . 2]" 1
258 1 17 TYR QE 1 33 ILE HG12 . . 4.790 3.975 3.477 4.260 . 0 0 "[ . 1 . 2]" 1
259 1 17 TYR QE 1 33 ILE HG13 . . 4.050 2.870 2.432 3.103 . 0 0 "[ . 1 . 2]" 1
260 1 17 TYR QE 1 33 ILE MG . . 3.480 2.125 1.953 2.419 . 0 0 "[ . 1 . 2]" 1
261 1 17 TYR QE 1 35 ASP HB2 . . 3.960 2.543 2.023 3.147 . 0 0 "[ . 1 . 2]" 1
262 1 17 TYR QE 1 35 ASP HB3 . . 3.780 2.767 2.013 3.636 . 0 0 "[ . 1 . 2]" 1
263 1 18 GLY H 1 21 LEU MD1 . . 3.760 2.737 2.233 3.356 . 0 0 "[ . 1 . 2]" 1
264 1 19 ARG HA 1 19 ARG HD2 . . 5.290 4.408 3.496 4.760 . 0 0 "[ . 1 . 2]" 1
265 1 19 ARG HA 1 19 ARG QD . . 4.530 3.804 2.302 4.245 . 0 0 "[ . 1 . 2]" 1
266 1 19 ARG HA 1 19 ARG HD3 . . 5.290 4.275 2.332 4.960 . 0 0 "[ . 1 . 2]" 1
267 1 19 ARG HA 1 19 ARG QG . . 3.350 2.452 2.235 2.657 . 0 0 "[ . 1 . 2]" 1
268 1 19 ARG HA 1 21 LEU H . . 4.210 3.502 3.381 3.843 . 0 0 "[ . 1 . 2]" 1
269 1 19 ARG HA 1 22 SER H . . 4.190 3.684 3.033 3.960 . 0 0 "[ . 1 . 2]" 1
270 1 19 ARG HA 1 22 SER QB . . 4.310 3.853 2.988 4.280 . 0 0 "[ . 1 . 2]" 1
271 1 19 ARG HA 1 23 GLU H . . 4.300 3.917 3.061 4.242 . 0 0 "[ . 1 . 2]" 1
272 1 19 ARG QB 1 19 ARG QD . . 3.270 2.216 2.035 2.496 . 0 0 "[ . 1 . 2]" 1
273 1 19 ARG QB 1 20 GLY H . . 3.820 2.795 2.406 3.079 . 0 0 "[ . 1 . 2]" 1
274 1 19 ARG QB 1 20 GLY HA2 . . 4.660 4.154 3.851 4.461 . 0 0 "[ . 1 . 2]" 1
275 1 19 ARG HB2 1 20 GLY H . . 4.690 3.901 2.801 4.258 . 0 0 "[ . 1 . 2]" 1
276 1 19 ARG HB3 1 20 GLY H . . 4.690 2.894 2.433 3.425 . 0 0 "[ . 1 . 2]" 1
277 1 19 ARG QG 1 20 GLY H . . 4.400 3.997 3.626 4.360 . 0 0 "[ . 1 . 2]" 1
278 1 19 ARG QG 1 22 SER H . . 5.110 4.749 4.253 4.987 . 0 0 "[ . 1 . 2]" 1
279 1 19 ARG QG 1 23 GLU H . . 4.180 3.856 3.085 4.172 . 0 0 "[ . 1 . 2]" 1
280 1 19 ARG QG 1 23 GLU QG . . 4.240 2.847 2.134 4.104 . 0 0 "[ . 1 . 2]" 1
281 1 20 GLY H 1 21 LEU H . . 3.600 2.831 2.479 3.040 . 0 0 "[ . 1 . 2]" 1
282 1 20 GLY H 1 21 LEU HG . . 4.630 3.700 3.398 4.179 . 0 0 "[ . 1 . 2]" 1
283 1 20 GLY H 1 22 SER H . . 4.940 4.546 4.155 4.798 . 0 0 "[ . 1 . 2]" 1
284 1 20 GLY H 1 30 SER HA . . 4.800 4.648 4.374 4.792 . 0 0 "[ . 1 . 2]" 1
285 1 20 GLY H 1 30 SER HB3 . . 4.250 3.648 3.221 4.245 . 0 0 "[ . 1 . 2]" 1
286 1 20 GLY H 1 31 ASP H . . 4.360 4.165 3.367 4.357 . 0 0 "[ . 1 . 2]" 1
287 1 20 GLY H 1 32 PHE HB2 . . 4.810 4.458 3.934 4.805 . 0 0 "[ . 1 . 2]" 1
288 1 20 GLY H 1 32 PHE HB3 . . 3.980 2.844 2.308 3.223 . 0 0 "[ . 1 . 2]" 1
289 1 20 GLY H 1 32 PHE QD . . 4.220 3.622 3.200 4.151 . 0 0 "[ . 1 . 2]" 1
290 1 20 GLY HA2 1 22 SER H . . 4.410 4.204 3.916 4.402 . 0 0 "[ . 1 . 2]" 1
291 1 20 GLY HA2 1 30 SER HB2 . . 4.180 3.633 3.243 4.182 0.002 18 0 "[ . 1 . 2]" 1
292 1 20 GLY HA2 1 30 SER HB3 . . 3.980 2.410 2.049 3.344 . 0 0 "[ . 1 . 2]" 1
293 1 20 GLY HA2 1 30 SER HG . . 4.880 4.182 3.133 4.774 . 0 0 "[ . 1 . 2]" 1
294 1 20 GLY HA2 1 32 PHE QD . . 4.780 4.495 3.962 4.727 . 0 0 "[ . 1 . 2]" 1
295 1 20 GLY HA2 1 70 TYR QE . . 4.670 3.510 2.943 4.041 . 0 0 "[ . 1 . 2]" 1
296 1 20 GLY HA3 1 30 SER HB2 . . 4.280 3.471 2.989 4.011 . 0 0 "[ . 1 . 2]" 1
297 1 20 GLY HA3 1 30 SER HB3 . . 3.860 2.348 2.001 2.803 . 0 0 "[ . 1 . 2]" 1
298 1 20 GLY HA3 1 31 ASP H . . 4.630 4.300 3.899 4.524 . 0 0 "[ . 1 . 2]" 1
299 1 20 GLY HA3 1 31 ASP HA . . 4.580 4.216 3.812 4.577 . 0 0 "[ . 1 . 2]" 1
300 1 20 GLY HA3 1 32 PHE QD . . 4.230 2.876 2.357 3.122 . 0 0 "[ . 1 . 2]" 1
301 1 20 GLY HA3 1 70 TYR QE . . 4.350 2.602 2.168 3.209 . 0 0 "[ . 1 . 2]" 1
302 1 21 LEU H 1 21 LEU HB2 . . 3.310 2.561 2.447 2.697 . 0 0 "[ . 1 . 2]" 1
303 1 21 LEU H 1 21 LEU HB3 . . 3.840 3.715 3.624 3.791 . 0 0 "[ . 1 . 2]" 1
304 1 21 LEU H 1 21 LEU MD1 . . 4.020 3.864 3.505 4.021 0.001 9 0 "[ . 1 . 2]" 1
305 1 21 LEU H 1 21 LEU MD2 . . 3.960 3.796 3.490 3.960 0.000 9 0 "[ . 1 . 2]" 1
306 1 21 LEU H 1 21 LEU HG . . 3.260 2.814 2.508 3.069 . 0 0 "[ . 1 . 2]" 1
307 1 21 LEU H 1 22 SER H . . 3.090 1.993 1.809 2.294 . 0 0 "[ . 1 . 2]" 1
308 1 21 LEU H 1 22 SER QB . . 4.880 4.029 3.782 4.485 . 0 0 "[ . 1 . 2]" 1
309 1 21 LEU H 1 23 GLU H . . 4.000 3.850 3.517 4.000 0.000 16 0 "[ . 1 . 2]" 1
310 1 21 LEU H 1 32 PHE HB3 . . 4.230 3.820 3.158 4.124 . 0 0 "[ . 1 . 2]" 1
311 1 21 LEU H 1 96 VAL MG1 . . 4.860 4.271 3.927 4.748 . 0 0 "[ . 1 . 2]" 1
312 1 21 LEU HA 1 21 LEU MD1 . . 4.140 3.900 3.846 3.935 . 0 0 "[ . 1 . 2]" 1
313 1 21 LEU HA 1 21 LEU MD2 . . 3.030 2.159 1.989 2.348 . 0 0 "[ . 1 . 2]" 1
314 1 21 LEU HA 1 21 LEU HG . . 4.030 3.079 2.980 3.211 . 0 0 "[ . 1 . 2]" 1
315 1 21 LEU HA 1 94 PHE HB3 . . 4.840 3.716 3.457 4.214 . 0 0 "[ . 1 . 2]" 1
316 1 21 LEU HA 1 96 VAL MG1 . . 4.190 3.915 3.520 4.168 . 0 0 "[ . 1 . 2]" 1
317 1 21 LEU HA 1 96 VAL MG2 . . 3.380 2.380 2.150 2.643 . 0 0 "[ . 1 . 2]" 1
318 1 21 LEU HB2 1 21 LEU MD1 . . 3.350 2.265 2.157 2.382 . 0 0 "[ . 1 . 2]" 1
319 1 21 LEU HB2 1 22 SER H . . 4.040 2.849 2.634 3.114 . 0 0 "[ . 1 . 2]" 1
320 1 21 LEU HB2 1 22 SER QB . . 4.790 4.078 3.655 4.636 . 0 0 "[ . 1 . 2]" 1
321 1 21 LEU HB2 1 94 PHE QD . . 4.650 3.817 3.668 4.155 . 0 0 "[ . 1 . 2]" 1
322 1 21 LEU HB3 1 21 LEU MD1 . . 3.460 2.414 2.299 2.514 . 0 0 "[ . 1 . 2]" 1
323 1 21 LEU HB3 1 21 LEU MD2 . . 3.500 2.273 2.155 2.373 . 0 0 "[ . 1 . 2]" 1
324 1 21 LEU HB3 1 22 SER H . . 4.400 3.861 3.617 4.113 . 0 0 "[ . 1 . 2]" 1
325 1 21 LEU HB3 1 94 PHE HB2 . . 5.500 5.213 4.801 5.462 . 0 0 "[ . 1 . 2]" 1
326 1 21 LEU HB3 1 94 PHE HB3 . . 4.510 4.095 3.815 4.353 . 0 0 "[ . 1 . 2]" 1
327 1 21 LEU HB3 1 94 PHE QD . . 4.150 2.097 1.998 2.426 . 0 0 "[ . 1 . 2]" 1
328 1 21 LEU MD1 1 32 PHE HB2 . . 4.270 2.093 1.963 2.305 . 0 0 "[ . 1 . 2]" 1
329 1 21 LEU MD1 1 32 PHE HB3 . . 4.150 3.000 2.761 3.153 . 0 0 "[ . 1 . 2]" 1
330 1 21 LEU MD1 1 32 PHE QD . . 4.170 2.700 2.272 3.246 . 0 0 "[ . 1 . 2]" 1
331 1 21 LEU MD1 1 32 PHE QE . . 5.500 4.013 3.726 4.394 . 0 0 "[ . 1 . 2]" 1
332 1 21 LEU MD1 1 94 PHE QD . . 4.530 3.592 3.368 3.904 . 0 0 "[ . 1 . 2]" 1
333 1 21 LEU MD1 1 94 PHE QE . . 3.990 2.682 2.392 3.198 . 0 0 "[ . 1 . 2]" 1
334 1 21 LEU MD2 1 32 PHE QD . . 3.890 2.617 2.415 2.873 . 0 0 "[ . 1 . 2]" 1
335 1 21 LEU MD2 1 32 PHE QE . . 4.040 2.807 2.535 3.253 . 0 0 "[ . 1 . 2]" 1
336 1 21 LEU MD2 1 80 VAL HB . . 3.990 3.729 3.476 3.930 . 0 0 "[ . 1 . 2]" 1
337 1 21 LEU MD2 1 80 VAL MG1 . . 3.290 2.873 2.609 3.181 . 0 0 "[ . 1 . 2]" 1
338 1 21 LEU MD2 1 80 VAL MG2 . . 3.760 3.393 3.148 3.710 . 0 0 "[ . 1 . 2]" 1
339 1 21 LEU MD2 1 82 THR MG . . 4.370 4.220 3.941 4.369 . 0 0 "[ . 1 . 2]" 1
340 1 21 LEU MD2 1 94 PHE HB2 . . 4.050 3.845 3.681 3.978 . 0 0 "[ . 1 . 2]" 1
341 1 21 LEU MD2 1 94 PHE HB3 . . 4.470 3.474 3.198 3.688 . 0 0 "[ . 1 . 2]" 1
342 1 21 LEU MD2 1 94 PHE QD . . 3.660 2.377 2.049 2.861 . 0 0 "[ . 1 . 2]" 1
343 1 21 LEU MD2 1 94 PHE QE . . 4.800 3.186 2.524 3.767 . 0 0 "[ . 1 . 2]" 1
344 1 21 LEU MD2 1 96 VAL MG2 . . 4.020 3.521 3.274 3.813 . 0 0 "[ . 1 . 2]" 1
345 1 21 LEU HG 1 22 SER H . . 4.410 4.371 4.218 4.410 0.000 6 0 "[ . 1 . 2]" 1
346 1 21 LEU HG 1 32 PHE HB2 . . 4.440 2.628 2.466 2.736 . 0 0 "[ . 1 . 2]" 1
347 1 21 LEU HG 1 32 PHE HB3 . . 4.230 2.212 2.040 2.352 . 0 0 "[ . 1 . 2]" 1
348 1 21 LEU HG 1 32 PHE QD . . 4.690 3.076 2.596 3.388 . 0 0 "[ . 1 . 2]" 1
349 1 21 LEU HG 1 33 ILE H . . 5.230 5.065 4.724 5.232 0.002 18 0 "[ . 1 . 2]" 1
350 1 22 SER H 1 22 SER QB . . 3.270 2.383 2.231 2.871 . 0 0 "[ . 1 . 2]" 1
351 1 22 SER H 1 23 GLU H . . 2.760 2.458 2.267 2.660 . 0 0 "[ . 1 . 2]" 1
352 1 22 SER H 1 23 GLU HA . . 5.010 4.846 4.700 4.960 . 0 0 "[ . 1 . 2]" 1
353 1 22 SER H 1 23 GLU QG . . 4.490 4.284 4.107 4.380 . 0 0 "[ . 1 . 2]" 1
354 1 22 SER H 1 96 VAL MG1 . . 4.310 3.984 3.568 4.266 . 0 0 "[ . 1 . 2]" 1
355 1 22 SER H 1 96 VAL MG2 . . 4.250 3.845 3.455 4.241 . 0 0 "[ . 1 . 2]" 1
356 1 22 SER QB 1 23 GLU H . . 3.300 2.265 1.984 2.978 . 0 0 "[ . 1 . 2]" 1
357 1 22 SER QB 1 23 GLU HA . . 4.830 4.184 4.004 4.403 . 0 0 "[ . 1 . 2]" 1
358 1 22 SER QB 1 23 GLU QB . . 4.950 3.582 3.383 3.985 . 0 0 "[ . 1 . 2]" 1
359 1 22 SER QB 1 23 GLU HG2 . . 4.570 3.349 2.373 4.162 . 0 0 "[ . 1 . 2]" 1
360 1 22 SER QB 1 23 GLU QG . . 3.880 3.093 2.297 3.649 . 0 0 "[ . 1 . 2]" 1
361 1 22 SER QB 1 23 GLU HG3 . . 4.570 4.088 2.317 4.570 0.000 16 0 "[ . 1 . 2]" 1
362 1 22 SER QB 1 96 VAL MG1 . . 5.110 4.828 4.539 5.045 . 0 0 "[ . 1 . 2]" 1
363 1 23 GLU H 1 23 GLU QB . . 3.660 2.972 2.675 3.094 . 0 0 "[ . 1 . 2]" 1
364 1 23 GLU H 1 23 GLU QG . . 3.380 2.296 2.006 2.654 . 0 0 "[ . 1 . 2]" 1
365 1 23 GLU H 1 96 VAL MG1 . . 3.930 3.754 3.605 3.918 . 0 0 "[ . 1 . 2]" 1
366 1 23 GLU H 1 96 VAL MG2 . . 4.940 4.701 4.210 4.938 . 0 0 "[ . 1 . 2]" 1
367 1 23 GLU HA 1 24 GLY H . . 2.790 2.614 2.585 2.622 . 0 0 "[ . 1 . 2]" 1
368 1 23 GLU HA 1 96 VAL HA . . 4.290 4.083 3.822 4.234 . 0 0 "[ . 1 . 2]" 1
369 1 23 GLU HA 1 96 VAL MG1 . . 3.540 2.977 2.659 3.204 . 0 0 "[ . 1 . 2]" 1
370 1 23 GLU HA 1 97 LYS H . . 3.470 3.317 3.076 3.451 . 0 0 "[ . 1 . 2]" 1
371 1 23 GLU HA 1 97 LYS HA . . 5.500 5.468 5.323 5.502 0.002 15 0 "[ . 1 . 2]" 1
372 1 23 GLU HA 1 97 LYS HB2 . . 4.300 3.999 3.529 4.291 . 0 0 "[ . 1 . 2]" 1
373 1 23 GLU HA 1 97 LYS HB3 . . 5.160 5.010 4.601 5.160 0.000 17 0 "[ . 1 . 2]" 1
374 1 23 GLU HA 1 98 ILE HA . . 5.500 4.897 4.598 5.227 . 0 0 "[ . 1 . 2]" 1
375 1 23 GLU HA 1 98 ILE MD . . 4.360 4.200 3.976 4.325 . 0 0 "[ . 1 . 2]" 1
376 1 23 GLU QB 1 24 GLY H . . 3.190 2.042 1.970 2.132 . 0 0 "[ . 1 . 2]" 1
377 1 23 GLU QB 1 96 VAL MG1 . . 4.670 4.304 4.093 4.477 . 0 0 "[ . 1 . 2]" 1
378 1 23 GLU QB 1 97 LYS H . . 5.340 4.840 4.580 5.258 . 0 0 "[ . 1 . 2]" 1
379 1 23 GLU HB2 1 24 GLY H . . 3.670 2.133 1.983 2.942 . 0 0 "[ . 1 . 2]" 1
380 1 23 GLU HB3 1 24 GLY H . . 3.670 3.399 2.182 3.614 . 0 0 "[ . 1 . 2]" 1
381 1 24 GLY H 1 25 ARG H . . 4.400 4.382 4.371 4.386 . 0 0 "[ . 1 . 2]" 1
382 1 24 GLY H 1 25 ARG HB2 . . 5.500 5.502 5.467 5.529 0.029 18 0 "[ . 1 . 2]" 1
383 1 24 GLY H 1 96 VAL MG1 . . 3.900 3.776 3.537 3.898 . 0 0 "[ . 1 . 2]" 1
384 1 24 GLY H 1 98 ILE HA . . 3.620 3.438 3.118 3.624 0.004 18 0 "[ . 1 . 2]" 1
385 1 24 GLY H 1 98 ILE MD . . 3.300 3.219 3.051 3.304 0.004 18 0 "[ . 1 . 2]" 1
386 1 24 GLY H 1 99 SER H . . 4.160 4.027 3.658 4.162 0.002 3 0 "[ . 1 . 2]" 1
387 1 24 GLY QA 1 25 ARG HA . . 4.920 3.943 3.939 3.947 . 0 0 "[ . 1 . 2]" 1
388 1 24 GLY QA 1 25 ARG HG3 . . 4.530 4.058 3.956 4.155 . 0 0 "[ . 1 . 2]" 1
389 1 24 GLY QA 1 98 ILE MD . . 3.280 1.912 1.835 2.120 . 0 0 "[ . 1 . 2]" 1
390 1 24 GLY QA 1 99 SER H . . 5.340 4.471 4.265 4.654 . 0 0 "[ . 1 . 2]" 1
391 1 24 GLY HA2 1 25 ARG H . . 3.120 2.528 2.460 2.602 . 0 0 "[ . 1 . 2]" 1
392 1 24 GLY HA2 1 98 ILE MD . . 3.820 3.235 3.148 3.468 . 0 0 "[ . 1 . 2]" 1
393 1 24 GLY HA3 1 25 ARG H . . 3.120 2.599 2.524 2.671 . 0 0 "[ . 1 . 2]" 1
394 1 24 GLY HA3 1 98 ILE MD . . 3.820 1.927 1.847 2.139 . 0 0 "[ . 1 . 2]" 1
395 1 25 ARG H 1 25 ARG HB2 . . 3.360 2.730 2.700 2.740 . 0 0 "[ . 1 . 2]" 1
396 1 25 ARG H 1 25 ARG HB3 . . 3.800 3.720 3.709 3.744 . 0 0 "[ . 1 . 2]" 1
397 1 25 ARG H 1 25 ARG HG2 . . 4.600 4.429 4.318 4.600 0.000 13 0 "[ . 1 . 2]" 1
398 1 25 ARG H 1 25 ARG HG3 . . 4.810 3.907 3.817 3.992 . 0 0 "[ . 1 . 2]" 1
399 1 25 ARG H 1 26 THR H . . 4.640 4.380 4.316 4.400 . 0 0 "[ . 1 . 2]" 1
400 1 25 ARG H 1 28 GLU QG . . 5.340 3.818 2.836 5.335 . 0 0 "[ . 1 . 2]" 1
401 1 25 ARG H 1 72 PRO HG2 . . 4.600 4.284 4.074 4.517 . 0 0 "[ . 1 . 2]" 1
402 1 25 ARG H 1 72 PRO HG3 . . 5.100 3.716 3.509 4.031 . 0 0 "[ . 1 . 2]" 1
403 1 25 ARG H 1 98 ILE MD . . 3.970 2.551 2.326 2.850 . 0 0 "[ . 1 . 2]" 1
404 1 25 ARG H 1 98 ILE MG . . 4.300 3.322 3.028 3.610 . 0 0 "[ . 1 . 2]" 1
405 1 25 ARG HA 1 25 ARG HD2 . . 4.710 4.359 4.055 4.671 . 0 0 "[ . 1 . 2]" 1
406 1 25 ARG HA 1 25 ARG QD . . 4.050 3.830 3.671 4.073 0.023 12 0 "[ . 1 . 2]" 1
407 1 25 ARG HA 1 25 ARG HD3 . . 4.710 4.297 3.951 4.654 . 0 0 "[ . 1 . 2]" 1
408 1 25 ARG HA 1 25 ARG HG2 . . 3.880 2.255 2.162 2.418 . 0 0 "[ . 1 . 2]" 1
409 1 25 ARG HA 1 25 ARG HG3 . . 4.140 2.975 2.750 3.119 . 0 0 "[ . 1 . 2]" 1
410 1 25 ARG HA 1 26 THR H . . 3.020 2.355 2.219 2.651 . 0 0 "[ . 1 . 2]" 1
411 1 25 ARG HA 1 98 ILE HA . . 4.500 3.424 3.022 3.757 . 0 0 "[ . 1 . 2]" 1
412 1 25 ARG HA 1 98 ILE MG . . 3.680 2.033 1.953 2.184 . 0 0 "[ . 1 . 2]" 1
413 1 25 ARG HA 1 99 SER H . . 3.280 2.522 2.191 2.891 . 0 0 "[ . 1 . 2]" 1
414 1 25 ARG HA 1 99 SER QB . . 4.520 3.414 3.143 3.949 . 0 0 "[ . 1 . 2]" 1
415 1 25 ARG HA 1 100 GLY QA . . 5.340 4.312 3.736 4.717 . 0 0 "[ . 1 . 2]" 1
416 1 25 ARG HB2 1 26 THR H . . 4.260 3.971 3.485 4.223 . 0 0 "[ . 1 . 2]" 1
417 1 25 ARG HB2 1 28 GLU H . . 5.500 5.222 4.901 5.516 0.016 18 0 "[ . 1 . 2]" 1
418 1 25 ARG HB2 1 28 GLU QG . . 4.450 3.025 2.425 3.908 . 0 0 "[ . 1 . 2]" 1
419 1 25 ARG HB3 1 25 ARG QD . . 3.630 2.284 2.090 2.612 . 0 0 "[ . 1 . 2]" 1
420 1 25 ARG HB3 1 26 THR H . . 3.540 2.643 1.958 3.047 . 0 0 "[ . 1 . 2]" 1
421 1 25 ARG HB3 1 98 ILE MD . . 5.220 5.047 4.879 5.214 . 0 0 "[ . 1 . 2]" 1
422 1 25 ARG HB3 1 98 ILE MG . . 4.750 4.093 3.927 4.304 . 0 0 "[ . 1 . 2]" 1
423 1 25 ARG QD 1 26 THR H . . 4.440 4.084 3.522 4.442 0.002 1 0 "[ . 1 . 2]" 1
424 1 25 ARG QD 1 103 ARG HA . . 4.720 4.258 3.386 4.723 0.003 17 0 "[ . 1 . 2]" 1
425 1 25 ARG HG2 1 26 THR H . . 4.120 3.445 3.288 3.579 . 0 0 "[ . 1 . 2]" 1
426 1 25 ARG HG2 1 99 SER QB . . 4.620 2.245 1.984 2.787 . 0 0 "[ . 1 . 2]" 1
427 1 25 ARG HG2 1 100 GLY QA . . 5.340 4.426 3.668 5.202 . 0 0 "[ . 1 . 2]" 1
428 1 25 ARG HG3 1 99 SER QB . . 4.590 3.346 2.906 3.804 . 0 0 "[ . 1 . 2]" 1
429 1 26 THR H 1 26 THR HB . . 3.960 3.617 3.576 3.702 . 0 0 "[ . 1 . 2]" 1
430 1 26 THR H 1 26 THR HG1 . . 3.220 2.153 1.899 2.945 . 0 0 "[ . 1 . 2]" 1
431 1 26 THR H 1 26 THR MG . . 3.020 2.317 2.024 2.672 . 0 0 "[ . 1 . 2]" 1
432 1 26 THR H 1 72 PRO HG2 . . 4.820 4.629 4.289 4.797 . 0 0 "[ . 1 . 2]" 1
433 1 26 THR H 1 75 PRO HB3 . . 4.880 4.590 4.337 4.879 . 0 0 "[ . 1 . 2]" 1
434 1 26 THR H 1 98 ILE HA . . 5.360 5.204 4.966 5.361 0.001 18 0 "[ . 1 . 2]" 1
435 1 26 THR H 1 98 ILE MG . . 3.680 2.642 2.414 3.032 . 0 0 "[ . 1 . 2]" 1
436 1 26 THR H 1 99 SER H . . 4.470 4.249 3.878 4.467 . 0 0 "[ . 1 . 2]" 1
437 1 26 THR H 1 100 GLY QA . . 3.600 2.947 2.337 3.430 . 0 0 "[ . 1 . 2]" 1
438 1 26 THR HA 1 26 THR MG . . 3.310 2.374 2.252 2.460 . 0 0 "[ . 1 . 2]" 1
439 1 26 THR HA 1 27 PHE H . . 2.930 2.277 2.200 2.370 . 0 0 "[ . 1 . 2]" 1
440 1 26 THR HA 1 27 PHE HA . . 4.540 4.428 4.395 4.460 . 0 0 "[ . 1 . 2]" 1
441 1 26 THR HA 1 28 GLU H . . 3.620 3.437 3.261 3.612 . 0 0 "[ . 1 . 2]" 1
442 1 26 THR HA 1 72 PRO QB . . 4.260 2.633 2.451 2.891 . 0 0 "[ . 1 . 2]" 1
443 1 26 THR HA 1 72 PRO HG2 . . 3.840 2.403 2.070 2.613 . 0 0 "[ . 1 . 2]" 1
444 1 26 THR HA 1 72 PRO HG3 . . 4.410 3.669 3.422 3.884 . 0 0 "[ . 1 . 2]" 1
445 1 26 THR HA 1 98 ILE MG . . 3.940 2.867 2.687 3.161 . 0 0 "[ . 1 . 2]" 1
446 1 26 THR HB 1 27 PHE H . . 3.420 2.730 2.463 3.013 . 0 0 "[ . 1 . 2]" 1
447 1 26 THR HB 1 27 PHE HA . . 4.890 4.591 4.494 4.703 . 0 0 "[ . 1 . 2]" 1
448 1 26 THR HB 1 27 PHE QB . . 4.670 3.792 3.556 4.048 . 0 0 "[ . 1 . 2]" 1
449 1 26 THR HB 1 27 PHE QD . . 3.650 2.474 2.015 3.620 . 0 0 "[ . 1 . 2]" 1
450 1 26 THR HB 1 27 PHE QE . . 4.210 3.807 3.393 4.103 . 0 0 "[ . 1 . 2]" 1
451 1 26 THR HB 1 73 THR HA . . 4.010 3.552 3.200 3.839 . 0 0 "[ . 1 . 2]" 1
452 1 26 THR HB 1 73 THR MG . . 5.500 5.241 4.960 5.471 . 0 0 "[ . 1 . 2]" 1
453 1 26 THR HB 1 98 ILE MG . . 4.230 4.163 3.967 4.232 0.002 17 0 "[ . 1 . 2]" 1
454 1 26 THR HB 1 100 GLY QA . . 4.440 4.005 3.607 4.440 . 19 0 "[ . 1 . 2]" 1
455 1 26 THR HG1 1 27 PHE H . . 4.840 4.451 3.918 4.840 . 17 0 "[ . 1 . 2]" 1
456 1 26 THR HG1 1 27 PHE QD . . 4.830 4.190 3.503 4.745 . 0 0 "[ . 1 . 2]" 1
457 1 26 THR HG1 1 100 GLY HA2 . . 4.620 2.557 2.038 3.112 . 0 0 "[ . 1 . 2]" 1
458 1 26 THR HG1 1 100 GLY QA . . 4.050 2.510 1.888 3.062 . 0 0 "[ . 1 . 2]" 1
459 1 26 THR HG1 1 100 GLY HA3 . . 4.620 3.910 2.077 4.619 . 0 0 "[ . 1 . 2]" 1
460 1 26 THR HG1 1 101 GLU H . . 4.990 4.616 3.232 4.982 . 0 0 "[ . 1 . 2]" 1
461 1 26 THR MG 1 27 PHE H . . 3.840 3.729 3.539 3.820 . 0 0 "[ . 1 . 2]" 1
462 1 26 THR MG 1 27 PHE QD . . 4.880 3.969 3.640 4.688 . 0 0 "[ . 1 . 2]" 1
463 1 26 THR MG 1 28 GLU H . . 5.500 5.202 5.043 5.356 . 0 0 "[ . 1 . 2]" 1
464 1 26 THR MG 1 72 PRO QB . . 4.030 3.269 2.895 3.466 . 0 0 "[ . 1 . 2]" 1
465 1 26 THR MG 1 73 THR HA . . 4.410 4.069 3.748 4.311 . 0 0 "[ . 1 . 2]" 1
466 1 26 THR MG 1 74 VAL H . . 3.810 3.697 3.411 3.810 0.000 20 0 "[ . 1 . 2]" 1
467 1 26 THR MG 1 74 VAL HA . . 3.810 3.087 2.875 3.400 . 0 0 "[ . 1 . 2]" 1
468 1 26 THR MG 1 74 VAL MG1 . . 4.530 4.108 3.902 4.267 . 0 0 "[ . 1 . 2]" 1
469 1 26 THR MG 1 75 PRO HA . . 3.610 2.561 2.238 2.827 . 0 0 "[ . 1 . 2]" 1
470 1 26 THR MG 1 75 PRO HB2 . . 4.000 3.657 3.395 3.811 . 0 0 "[ . 1 . 2]" 1
471 1 26 THR MG 1 75 PRO HB3 . . 3.520 2.273 1.978 2.431 . 0 0 "[ . 1 . 2]" 1
472 1 26 THR MG 1 75 PRO HD2 . . 3.850 3.429 3.291 3.532 . 0 0 "[ . 1 . 2]" 1
473 1 26 THR MG 1 75 PRO HD3 . . 3.450 2.020 1.917 2.146 . 0 0 "[ . 1 . 2]" 1
474 1 26 THR MG 1 75 PRO HG2 . . 4.030 3.952 3.720 4.032 0.002 16 0 "[ . 1 . 2]" 1
475 1 26 THR MG 1 75 PRO HG3 . . 4.030 3.011 2.729 3.221 . 0 0 "[ . 1 . 2]" 1
476 1 26 THR MG 1 98 ILE HB . . 4.750 3.756 3.482 3.898 . 0 0 "[ . 1 . 2]" 1
477 1 26 THR MG 1 100 GLY H . . 4.660 3.679 2.948 4.462 . 0 0 "[ . 1 . 2]" 1
478 1 26 THR MG 1 100 GLY HA2 . . 4.230 2.450 1.835 3.209 . 0 0 "[ . 1 . 2]" 1
479 1 26 THR MG 1 100 GLY QA . . 3.610 2.161 1.817 2.601 . 0 0 "[ . 1 . 2]" 1
480 1 26 THR MG 1 100 GLY HA3 . . 4.230 2.687 1.895 3.626 . 0 0 "[ . 1 . 2]" 1
481 1 27 PHE H 1 27 PHE QB . . 3.660 3.230 3.155 3.346 . 0 0 "[ . 1 . 2]" 1
482 1 27 PHE H 1 27 PHE QD . . 4.460 2.396 2.001 3.485 . 0 0 "[ . 1 . 2]" 1
483 1 27 PHE H 1 28 GLU H . . 3.190 2.757 2.643 2.897 . 0 0 "[ . 1 . 2]" 1
484 1 27 PHE H 1 72 PRO QB . . 4.770 3.569 3.307 3.795 . 0 0 "[ . 1 . 2]" 1
485 1 27 PHE H 1 72 PRO HG2 . . 4.360 2.898 2.613 3.066 . 0 0 "[ . 1 . 2]" 1
486 1 27 PHE H 1 72 PRO HG3 . . 4.810 4.645 4.354 4.806 . 0 0 "[ . 1 . 2]" 1
487 1 27 PHE H 1 73 THR HA . . 3.740 2.924 2.675 3.150 . 0 0 "[ . 1 . 2]" 1
488 1 27 PHE H 1 73 THR MG . . 4.240 4.035 3.774 4.176 . 0 0 "[ . 1 . 2]" 1
489 1 27 PHE HA 1 27 PHE QD . . 3.610 2.764 2.173 3.025 . 0 0 "[ . 1 . 2]" 1
490 1 27 PHE HA 1 27 PHE QE . . 4.650 4.508 4.385 4.593 . 0 0 "[ . 1 . 2]" 1
491 1 27 PHE HA 1 28 GLU H . . 3.410 2.887 2.773 2.984 . 0 0 "[ . 1 . 2]" 1
492 1 27 PHE HA 1 71 PHE QE . . 4.010 2.619 2.448 2.781 . 0 0 "[ . 1 . 2]" 1
493 1 27 PHE HA 1 71 PHE HZ . . 3.990 2.715 2.440 3.190 . 0 0 "[ . 1 . 2]" 1
494 1 27 PHE HA 1 73 THR MG . . 4.240 4.019 3.782 4.177 . 0 0 "[ . 1 . 2]" 1
495 1 27 PHE QB 1 28 GLU H . . 4.320 3.802 3.732 3.866 . 0 0 "[ . 1 . 2]" 1
496 1 27 PHE QB 1 71 PHE HZ . . 4.010 2.710 2.260 3.056 . 0 0 "[ . 1 . 2]" 1
497 1 27 PHE HB2 1 71 PHE QE . . 4.780 4.668 4.314 4.777 . 0 0 "[ . 1 . 2]" 1
498 1 27 PHE HB2 1 71 PHE HZ . . 4.640 4.260 3.846 4.635 . 0 0 "[ . 1 . 2]" 1
499 1 27 PHE HB3 1 71 PHE QE . . 4.780 3.587 2.879 3.807 . 0 0 "[ . 1 . 2]" 1
500 1 27 PHE HB3 1 71 PHE HZ . . 4.640 2.742 2.275 3.100 . 0 0 "[ . 1 . 2]" 1
501 1 27 PHE QD 1 73 THR HB . . 5.070 4.540 4.280 4.843 . 0 0 "[ . 1 . 2]" 1
502 1 27 PHE QD 1 73 THR MG . . 4.210 3.732 2.816 4.074 . 0 0 "[ . 1 . 2]" 1
503 1 27 PHE QE 1 73 THR HA . . 4.380 2.694 2.203 3.453 . 0 0 "[ . 1 . 2]" 1
504 1 27 PHE QE 1 73 THR HB . . 4.150 2.997 2.522 3.446 . 0 0 "[ . 1 . 2]" 1
505 1 27 PHE QE 1 73 THR MG . . 3.620 3.253 2.300 3.618 . 0 0 "[ . 1 . 2]" 1
506 1 27 PHE HZ 1 73 THR HB . . 4.380 4.124 3.608 4.356 . 0 0 "[ . 1 . 2]" 1
507 1 27 PHE HZ 1 73 THR MG . . 4.240 4.137 4.021 4.240 0.000 10 0 "[ . 1 . 2]" 1
508 1 28 GLU H 1 28 GLU QB . . 3.530 2.584 2.442 3.156 . 0 0 "[ . 1 . 2]" 1
509 1 28 GLU H 1 28 GLU HG2 . . 4.730 4.145 2.884 4.734 0.004 2 0 "[ . 1 . 2]" 1
510 1 28 GLU H 1 28 GLU QG . . 3.970 3.696 2.402 3.985 0.015 13 0 "[ . 1 . 2]" 1
511 1 28 GLU H 1 28 GLU HG3 . . 4.730 4.289 2.571 4.608 . 0 0 "[ . 1 . 2]" 1
512 1 28 GLU H 1 29 MET H . . 4.360 4.149 4.068 4.233 . 0 0 "[ . 1 . 2]" 1
513 1 28 GLU H 1 71 PHE HA . . 4.720 4.213 4.002 4.439 . 0 0 "[ . 1 . 2]" 1
514 1 28 GLU H 1 72 PRO QD . . 3.830 2.750 2.555 2.917 . 0 0 "[ . 1 . 2]" 1
515 1 28 GLU H 1 72 PRO HG2 . . 3.680 2.471 2.210 2.690 . 0 0 "[ . 1 . 2]" 1
516 1 28 GLU H 1 72 PRO HG3 . . 4.660 3.870 3.577 4.099 . 0 0 "[ . 1 . 2]" 1
517 1 28 GLU HA 1 28 GLU HG2 . . 4.170 3.389 2.421 3.905 . 0 0 "[ . 1 . 2]" 1
518 1 28 GLU HA 1 28 GLU QG . . 3.570 2.666 2.262 3.336 . 0 0 "[ . 1 . 2]" 1
519 1 28 GLU HA 1 28 GLU HG3 . . 4.170 3.017 2.288 3.745 . 0 0 "[ . 1 . 2]" 1
520 1 28 GLU HA 1 29 MET H . . 2.760 2.142 2.140 2.157 . 0 0 "[ . 1 . 2]" 1
521 1 28 GLU HA 1 71 PHE QE . . 3.860 2.672 2.266 2.988 . 0 0 "[ . 1 . 2]" 1
522 1 28 GLU QB 1 29 MET H . . 4.370 3.664 3.143 3.866 . 0 0 "[ . 1 . 2]" 1
523 1 28 GLU QB 1 71 PHE QE . . 5.340 4.517 4.166 4.817 . 0 0 "[ . 1 . 2]" 1
524 1 28 GLU QG 1 29 MET H . . 5.340 3.523 2.891 4.642 . 0 0 "[ . 1 . 2]" 1
525 1 29 MET H 1 29 MET HB2 . . 3.550 2.266 2.196 2.473 . 0 0 "[ . 1 . 2]" 1
526 1 29 MET H 1 29 MET QB . . 2.830 2.170 2.135 2.246 . 0 0 "[ . 1 . 2]" 1
527 1 29 MET H 1 29 MET HB3 . . 3.550 2.823 2.576 2.911 . 0 0 "[ . 1 . 2]" 1
528 1 29 MET H 1 29 MET QG . . 4.550 4.011 3.962 4.034 . 0 0 "[ . 1 . 2]" 1
529 1 29 MET H 1 71 PHE HA . . 4.820 4.701 4.487 4.830 0.010 18 0 "[ . 1 . 2]" 1
530 1 29 MET H 1 71 PHE QD . . 4.270 2.908 2.497 3.108 . 0 0 "[ . 1 . 2]" 1
531 1 29 MET H 1 71 PHE QE . . 3.640 2.413 2.156 2.695 . 0 0 "[ . 1 . 2]" 1
532 1 29 MET HA 1 29 MET ME . . 4.230 3.257 2.828 3.699 . 0 0 "[ . 1 . 2]" 1
533 1 29 MET HA 1 30 SER H . . 2.850 2.154 2.141 2.163 . 0 0 "[ . 1 . 2]" 1
534 1 29 MET HA 1 70 TYR H . . 4.280 4.221 4.086 4.280 0.000 17 0 "[ . 1 . 2]" 1
535 1 29 MET HA 1 71 PHE HA . . 4.130 2.783 2.517 2.932 . 0 0 "[ . 1 . 2]" 1
536 1 29 MET HA 1 71 PHE QD . . 3.600 2.269 2.007 2.460 . 0 0 "[ . 1 . 2]" 1
537 1 29 MET HA 1 72 PRO QD . . 4.710 3.238 3.041 3.412 . 0 0 "[ . 1 . 2]" 1
538 1 29 MET QB 1 30 SER H . . 4.170 3.871 3.773 3.924 . 0 0 "[ . 1 . 2]" 1
539 1 29 MET QB 1 70 TYR H . . 5.340 5.291 5.082 5.342 0.002 14 0 "[ . 1 . 2]" 1
540 1 29 MET QB 1 71 PHE QD . . 3.910 2.574 2.085 2.853 . 0 0 "[ . 1 . 2]" 1
541 1 29 MET QB 1 71 PHE QE . . 4.670 3.181 2.755 3.450 . 0 0 "[ . 1 . 2]" 1
542 1 29 MET HB2 1 71 PHE QD . . 4.720 2.606 2.099 2.899 . 0 0 "[ . 1 . 2]" 1
543 1 29 MET HB3 1 71 PHE QD . . 4.720 4.030 3.581 4.265 . 0 0 "[ . 1 . 2]" 1
544 1 29 MET ME 1 57 GLN HE21 . . 4.720 3.397 2.386 4.707 . 0 0 "[ . 1 . 2]" 1
545 1 29 MET ME 1 57 GLN QE . . 4.030 3.009 1.889 3.902 . 0 0 "[ . 1 . 2]" 1
546 1 29 MET ME 1 57 GLN HE22 . . 4.720 3.593 1.937 4.646 . 0 0 "[ . 1 . 2]" 1
547 1 29 MET ME 1 69 SER HB2 . . 3.880 3.007 2.168 3.682 . 0 0 "[ . 1 . 2]" 1
548 1 29 MET ME 1 69 SER HB3 . . 3.920 2.494 1.997 3.436 . 0 0 "[ . 1 . 2]" 1
549 1 29 MET ME 1 70 TYR H . . 4.600 3.021 2.449 4.072 . 0 0 "[ . 1 . 2]" 1
550 1 29 MET ME 1 70 TYR HA . . 4.520 2.898 2.429 3.864 . 0 0 "[ . 1 . 2]" 1
551 1 29 MET ME 1 70 TYR QD . . 5.500 4.741 4.313 5.501 0.001 16 0 "[ . 1 . 2]" 1
552 1 29 MET ME 1 71 PHE H . . 4.810 3.222 2.751 4.285 . 0 0 "[ . 1 . 2]" 1
553 1 29 MET ME 1 71 PHE HA . . 5.060 3.531 3.135 4.168 . 0 0 "[ . 1 . 2]" 1
554 1 29 MET ME 1 71 PHE HB2 . . 4.510 2.345 1.990 2.818 . 0 0 "[ . 1 . 2]" 1
555 1 29 MET ME 1 71 PHE QB . . 3.710 2.320 1.976 2.784 . 0 0 "[ . 1 . 2]" 1
556 1 29 MET ME 1 71 PHE HB3 . . 4.510 3.687 3.211 4.348 . 0 0 "[ . 1 . 2]" 1
557 1 29 MET ME 1 71 PHE QD . . 3.810 3.358 2.980 3.778 . 0 0 "[ . 1 . 2]" 1
558 1 29 MET ME 1 71 PHE QE . . 5.500 5.101 4.606 5.489 . 0 0 "[ . 1 . 2]" 1
559 1 29 MET QG 1 30 SER H . . 3.790 3.176 2.952 3.274 . 0 0 "[ . 1 . 2]" 1
560 1 29 MET QG 1 69 SER HB2 . . 4.350 4.227 3.312 4.352 0.002 11 0 "[ . 1 . 2]" 1
561 1 29 MET QG 1 69 SER HB3 . . 3.590 2.906 2.745 3.586 . 0 0 "[ . 1 . 2]" 1
562 1 29 MET QG 1 70 TYR H . . 3.850 3.358 3.085 3.484 . 0 0 "[ . 1 . 2]" 1
563 1 29 MET QG 1 71 PHE QD . . 3.990 3.564 3.193 3.839 . 0 0 "[ . 1 . 2]" 1
564 1 29 MET HG2 1 69 SER HB2 . . 5.170 4.982 4.146 5.158 . 0 0 "[ . 1 . 2]" 1
565 1 29 MET HG2 1 69 SER HB3 . . 4.110 3.525 2.969 4.004 . 0 0 "[ . 1 . 2]" 1
566 1 29 MET HG2 1 71 PHE QD . . 4.690 4.479 4.168 4.686 . 0 0 "[ . 1 . 2]" 1
567 1 29 MET HG3 1 69 SER HB2 . . 5.170 4.576 3.483 4.758 . 0 0 "[ . 1 . 2]" 1
568 1 29 MET HG3 1 69 SER HB3 . . 4.110 3.125 2.862 4.046 . 0 0 "[ . 1 . 2]" 1
569 1 29 MET HG3 1 71 PHE QD . . 4.690 3.759 3.270 4.107 . 0 0 "[ . 1 . 2]" 1
570 1 30 SER H 1 30 SER HB2 . . 3.420 2.536 2.372 2.679 . 0 0 "[ . 1 . 2]" 1
571 1 30 SER H 1 30 SER HB3 . . 3.760 3.666 2.863 3.756 . 0 0 "[ . 1 . 2]" 1
572 1 30 SER H 1 30 SER HG . . 4.300 3.546 2.820 4.226 . 0 0 "[ . 1 . 2]" 1
573 1 30 SER H 1 70 TYR QE . . 4.890 4.230 4.085 4.406 . 0 0 "[ . 1 . 2]" 1
574 1 30 SER H 1 71 PHE HA . . 3.980 3.548 3.345 3.707 . 0 0 "[ . 1 . 2]" 1
575 1 30 SER H 1 71 PHE QD . . 4.490 4.261 3.956 4.446 . 0 0 "[ . 1 . 2]" 1
576 1 30 SER H 1 72 PRO HD2 . . 4.270 3.605 3.394 3.776 . 0 0 "[ . 1 . 2]" 1
577 1 30 SER H 1 72 PRO HD3 . . 4.270 3.477 3.328 3.607 . 0 0 "[ . 1 . 2]" 1
578 1 30 SER HA 1 31 ASP H . . 2.970 2.157 2.138 2.235 . 0 0 "[ . 1 . 2]" 1
579 1 30 SER HA 1 31 ASP HA . . 4.780 4.400 4.391 4.444 . 0 0 "[ . 1 . 2]" 1
580 1 30 SER HB2 1 31 ASP H . . 4.520 4.399 4.222 4.518 . 0 0 "[ . 1 . 2]" 1
581 1 30 SER HB2 1 70 TYR H . . 4.790 4.437 4.098 4.788 . 0 0 "[ . 1 . 2]" 1
582 1 30 SER HB2 1 70 TYR QD . . 4.850 3.899 3.559 4.512 . 0 0 "[ . 1 . 2]" 1
583 1 30 SER HB2 1 70 TYR QE . . 4.140 2.870 2.605 3.566 . 0 0 "[ . 1 . 2]" 1
584 1 30 SER HB2 1 72 PRO QD . . 4.670 3.584 3.240 3.868 . 0 0 "[ . 1 . 2]" 1
585 1 30 SER HB3 1 31 ASP H . . 4.100 3.683 3.496 3.866 . 0 0 "[ . 1 . 2]" 1
586 1 30 SER HB3 1 70 TYR QE . . 4.280 3.234 2.435 3.821 . 0 0 "[ . 1 . 2]" 1
587 1 30 SER HG 1 31 ASP H . . 4.710 4.348 2.674 4.676 . 0 0 "[ . 1 . 2]" 1
588 1 31 ASP HA 1 32 PHE H . . 2.850 2.424 2.308 2.564 . 0 0 "[ . 1 . 2]" 1
589 1 31 ASP HA 1 32 PHE QD . . 4.540 3.245 2.944 3.707 . 0 0 "[ . 1 . 2]" 1
590 1 31 ASP HA 1 68 VAL H . . 5.010 4.901 4.786 5.012 0.002 16 0 "[ . 1 . 2]" 1
591 1 31 ASP HA 1 69 SER HA . . 3.450 2.481 2.359 2.670 . 0 0 "[ . 1 . 2]" 1
592 1 31 ASP HA 1 69 SER HB3 . . 4.700 4.441 3.883 4.699 . 0 0 "[ . 1 . 2]" 1
593 1 31 ASP HA 1 70 TYR H . . 3.950 3.646 3.474 3.883 . 0 0 "[ . 1 . 2]" 1
594 1 31 ASP HB2 1 32 PHE H . . 3.250 2.465 2.112 3.235 . 0 0 "[ . 1 . 2]" 1
595 1 31 ASP HB2 1 67 LYS QD . . 4.750 3.432 3.001 3.976 . 0 0 "[ . 1 . 2]" 1
596 1 31 ASP HB2 1 67 LYS QE . . 4.460 4.062 3.529 4.361 . 0 0 "[ . 1 . 2]" 1
597 1 31 ASP HB2 1 67 LYS HG2 . . 4.600 2.794 2.384 3.635 . 0 0 "[ . 1 . 2]" 1
598 1 31 ASP HB2 1 67 LYS HG3 . . 4.600 3.035 2.523 3.999 . 0 0 "[ . 1 . 2]" 1
599 1 31 ASP HB2 1 69 SER HA . . 4.510 3.672 3.309 4.218 . 0 0 "[ . 1 . 2]" 1
600 1 31 ASP HB3 1 32 PHE H . . 3.800 3.449 2.623 3.631 . 0 0 "[ . 1 . 2]" 1
601 1 31 ASP HB3 1 67 LYS QD . . 4.810 4.414 3.286 4.810 0.000 20 0 "[ . 1 . 2]" 1
602 1 31 ASP HB3 1 67 LYS QE . . 5.090 4.750 3.895 5.082 . 0 0 "[ . 1 . 2]" 1
603 1 31 ASP HB3 1 67 LYS HG2 . . 4.770 3.648 2.911 3.920 . 0 0 "[ . 1 . 2]" 1
604 1 31 ASP HB3 1 67 LYS HG3 . . 4.770 4.458 3.700 4.769 . 0 0 "[ . 1 . 2]" 1
605 1 31 ASP HB3 1 69 SER HA . . 3.890 2.318 2.027 2.980 . 0 0 "[ . 1 . 2]" 1
606 1 31 ASP HB3 1 69 SER HB2 . . 5.190 4.024 3.582 4.634 . 0 0 "[ . 1 . 2]" 1
607 1 31 ASP HB3 1 69 SER HB3 . . 4.340 2.942 2.104 3.543 . 0 0 "[ . 1 . 2]" 1
608 1 31 ASP HB3 1 70 TYR H . . 4.710 3.994 3.730 4.709 . 0 0 "[ . 1 . 2]" 1
609 1 32 PHE H 1 32 PHE QD . . 4.060 3.113 2.860 3.374 . 0 0 "[ . 1 . 2]" 1
610 1 32 PHE H 1 33 ILE MD . . 5.230 4.958 4.843 5.142 . 0 0 "[ . 1 . 2]" 1
611 1 32 PHE H 1 67 LYS HG2 . . 4.340 3.849 3.554 4.176 . 0 0 "[ . 1 . 2]" 1
612 1 32 PHE H 1 67 LYS HG3 . . 4.340 3.484 3.018 4.170 . 0 0 "[ . 1 . 2]" 1
613 1 32 PHE H 1 68 VAL H . . 3.550 3.140 2.938 3.322 . 0 0 "[ . 1 . 2]" 1
614 1 32 PHE H 1 68 VAL HB . . 3.910 3.444 3.194 3.880 . 0 0 "[ . 1 . 2]" 1
615 1 32 PHE H 1 68 VAL MG1 . . 4.920 4.503 4.129 4.853 . 0 0 "[ . 1 . 2]" 1
616 1 32 PHE H 1 68 VAL MG2 . . 5.290 4.407 4.184 4.679 . 0 0 "[ . 1 . 2]" 1
617 1 32 PHE H 1 69 SER HA . . 4.480 4.172 4.046 4.308 . 0 0 "[ . 1 . 2]" 1
618 1 32 PHE HB2 1 33 ILE H . . 3.370 2.515 2.290 2.725 . 0 0 "[ . 1 . 2]" 1
619 1 32 PHE HB2 1 33 ILE HB . . 5.140 4.698 4.527 4.863 . 0 0 "[ . 1 . 2]" 1
620 1 32 PHE HB2 1 34 VAL MG2 . . 5.400 4.356 4.274 4.440 . 0 0 "[ . 1 . 2]" 1
621 1 32 PHE HB3 1 33 ILE H . . 3.970 3.765 3.627 3.899 . 0 0 "[ . 1 . 2]" 1
622 1 32 PHE HB3 1 34 VAL MG2 . . 5.500 5.500 5.429 5.514 0.014 15 0 "[ . 1 . 2]" 1
623 1 32 PHE QD 1 33 ILE H . . 3.900 3.515 3.286 3.731 . 0 0 "[ . 1 . 2]" 1
624 1 32 PHE QD 1 34 VAL MG2 . . 3.240 2.322 2.195 2.464 . 0 0 "[ . 1 . 2]" 1
625 1 32 PHE QD 1 68 VAL HB . . 4.500 3.548 3.369 3.777 . 0 0 "[ . 1 . 2]" 1
626 1 32 PHE QD 1 68 VAL MG2 . . 3.860 3.678 3.385 3.853 . 0 0 "[ . 1 . 2]" 1
627 1 32 PHE QD 1 70 TYR QE . . 3.570 3.388 3.197 3.568 . 0 0 "[ . 1 . 2]" 1
628 1 32 PHE QD 1 80 VAL MG1 . . 4.710 4.496 4.243 4.679 . 0 0 "[ . 1 . 2]" 1
629 1 32 PHE QD 1 80 VAL MG2 . . 4.950 4.712 4.363 4.926 . 0 0 "[ . 1 . 2]" 1
630 1 32 PHE QE 1 34 VAL MG1 . . 4.470 4.360 4.208 4.472 0.002 19 0 "[ . 1 . 2]" 1
631 1 32 PHE QE 1 34 VAL MG2 . . 3.240 2.237 1.994 2.459 . 0 0 "[ . 1 . 2]" 1
632 1 32 PHE QE 1 46 LEU MD2 . . 3.800 3.039 2.632 3.461 . 0 0 "[ . 1 . 2]" 1
633 1 32 PHE QE 1 68 VAL HB . . 4.520 2.810 2.647 2.957 . 0 0 "[ . 1 . 2]" 1
634 1 32 PHE QE 1 68 VAL MG1 . . 3.720 2.874 2.389 3.308 . 0 0 "[ . 1 . 2]" 1
635 1 32 PHE QE 1 68 VAL MG2 . . 4.230 2.501 2.201 2.741 . 0 0 "[ . 1 . 2]" 1
636 1 32 PHE QE 1 70 TYR QD . . 3.800 3.209 2.827 3.532 . 0 0 "[ . 1 . 2]" 1
637 1 32 PHE QE 1 70 TYR QE . . 3.450 3.407 3.248 3.453 0.003 16 0 "[ . 1 . 2]" 1
638 1 32 PHE QE 1 80 VAL MG1 . . 3.690 3.032 2.734 3.255 . 0 0 "[ . 1 . 2]" 1
639 1 32 PHE QE 1 80 VAL MG2 . . 4.630 3.354 3.032 3.601 . 0 0 "[ . 1 . 2]" 1
640 1 32 PHE QE 1 82 THR HG1 . . 5.400 4.457 3.981 5.062 . 0 0 "[ . 1 . 2]" 1
641 1 32 PHE QE 1 82 THR MG . . 3.720 3.346 2.976 3.674 . 0 0 "[ . 1 . 2]" 1
642 1 32 PHE HZ 1 46 LEU MD1 . . 4.740 4.036 3.462 4.508 . 0 0 "[ . 1 . 2]" 1
643 1 32 PHE HZ 1 46 LEU MD2 . . 3.620 2.724 2.180 3.300 . 0 0 "[ . 1 . 2]" 1
644 1 32 PHE HZ 1 68 VAL HB . . 4.790 2.786 2.516 2.966 . 0 0 "[ . 1 . 2]" 1
645 1 32 PHE HZ 1 68 VAL MG1 . . 3.700 2.767 2.479 3.135 . 0 0 "[ . 1 . 2]" 1
646 1 32 PHE HZ 1 68 VAL MG2 . . 4.530 2.531 2.249 2.857 . 0 0 "[ . 1 . 2]" 1
647 1 32 PHE HZ 1 80 VAL MG1 . . 3.690 2.681 2.425 2.974 . 0 0 "[ . 1 . 2]" 1
648 1 32 PHE HZ 1 80 VAL MG2 . . 4.910 4.124 3.721 4.395 . 0 0 "[ . 1 . 2]" 1
649 1 32 PHE HZ 1 82 THR MG . . 4.610 4.238 3.871 4.597 . 0 0 "[ . 1 . 2]" 1
650 1 33 ILE H 1 33 ILE HB . . 3.090 2.328 2.295 2.352 . 0 0 "[ . 1 . 2]" 1
651 1 33 ILE H 1 33 ILE MD . . 4.360 3.838 3.782 3.955 . 0 0 "[ . 1 . 2]" 1
652 1 33 ILE H 1 33 ILE HG12 . . 3.670 3.034 2.941 3.133 . 0 0 "[ . 1 . 2]" 1
653 1 33 ILE H 1 33 ILE HG13 . . 4.460 4.204 4.138 4.290 . 0 0 "[ . 1 . 2]" 1
654 1 33 ILE H 1 33 ILE MG . . 3.810 3.649 3.627 3.662 . 0 0 "[ . 1 . 2]" 1
655 1 33 ILE H 1 34 VAL MG2 . . 4.900 4.516 4.390 4.654 . 0 0 "[ . 1 . 2]" 1
656 1 33 ILE HB 1 33 ILE MD . . 3.420 3.216 3.214 3.217 . 0 0 "[ . 1 . 2]" 1
657 1 33 ILE MD 1 34 VAL H . . 4.060 2.665 2.591 2.711 . 0 0 "[ . 1 . 2]" 1
658 1 33 ILE MD 1 34 VAL HB . . 4.760 4.783 4.780 4.789 0.029 17 0 "[ . 1 . 2]" 1
659 1 33 ILE MD 1 65 THR H . . 5.500 5.120 4.798 5.484 . 0 0 "[ . 1 . 2]" 1
660 1 33 ILE MD 1 65 THR HB . . 4.380 3.385 2.951 3.653 . 0 0 "[ . 1 . 2]" 1
661 1 33 ILE MD 1 66 CYS H . . 4.930 4.212 3.992 4.454 . 0 0 "[ . 1 . 2]" 1
662 1 33 ILE MD 1 66 CYS QB . . 5.340 5.123 4.938 5.319 . 0 0 "[ . 1 . 2]" 1
663 1 33 ILE MD 1 67 LYS H . . 4.180 3.954 3.662 4.147 . 0 0 "[ . 1 . 2]" 1
664 1 33 ILE MD 1 67 LYS HB2 . . 4.160 2.127 1.932 2.522 . 0 0 "[ . 1 . 2]" 1
665 1 33 ILE MD 1 67 LYS QB . . 3.360 2.111 1.921 2.497 . 0 0 "[ . 1 . 2]" 1
666 1 33 ILE MD 1 67 LYS HB3 . . 4.160 3.572 3.338 4.021 . 0 0 "[ . 1 . 2]" 1
667 1 33 ILE MD 1 67 LYS QE . . 4.040 3.433 2.031 4.031 . 0 0 "[ . 1 . 2]" 1
668 1 33 ILE MD 1 67 LYS HG2 . . 4.450 3.824 3.480 4.374 . 0 0 "[ . 1 . 2]" 1
669 1 33 ILE MD 1 67 LYS QG . . 3.820 2.461 2.067 2.991 . 0 0 "[ . 1 . 2]" 1
670 1 33 ILE MD 1 67 LYS HG3 . . 4.450 2.494 2.083 3.046 . 0 0 "[ . 1 . 2]" 1
671 1 33 ILE MD 1 68 VAL H . . 4.690 4.508 4.266 4.679 . 0 0 "[ . 1 . 2]" 1
672 1 33 ILE HG12 1 34 VAL H . . 4.830 4.726 4.668 4.766 . 0 0 "[ . 1 . 2]" 1
673 1 33 ILE HG13 1 33 ILE MG . . 3.240 2.260 2.214 2.329 . 0 0 "[ . 1 . 2]" 1
674 1 33 ILE MG 1 34 VAL H . . 3.290 1.926 1.848 2.076 . 0 0 "[ . 1 . 2]" 1
675 1 33 ILE MG 1 34 VAL HA . . 4.640 3.246 3.130 3.358 . 0 0 "[ . 1 . 2]" 1
676 1 33 ILE MG 1 34 VAL HB . . 4.590 4.140 4.097 4.184 . 0 0 "[ . 1 . 2]" 1
677 1 33 ILE MG 1 35 ASP H . . 4.650 3.054 2.925 3.333 . 0 0 "[ . 1 . 2]" 1
678 1 33 ILE MG 1 35 ASP HA . . 4.540 3.632 3.536 3.778 . 0 0 "[ . 1 . 2]" 1
679 1 33 ILE MG 1 35 ASP HB2 . . 3.890 3.504 3.220 3.742 . 0 0 "[ . 1 . 2]" 1
680 1 33 ILE MG 1 35 ASP HB3 . . 4.320 4.201 3.996 4.325 0.005 11 0 "[ . 1 . 2]" 1
681 1 33 ILE MG 1 65 THR H . . 5.500 5.233 4.889 5.480 . 0 0 "[ . 1 . 2]" 1
682 1 33 ILE MG 1 65 THR HB . . 3.290 2.485 2.170 2.772 . 0 0 "[ . 1 . 2]" 1
683 1 33 ILE MG 1 65 THR MG . . 3.420 2.754 2.467 3.010 . 0 0 "[ . 1 . 2]" 1
684 1 33 ILE MG 1 66 CYS H . . 4.210 3.910 3.656 4.043 . 0 0 "[ . 1 . 2]" 1
685 1 34 VAL H 1 34 VAL HB . . 3.460 2.637 2.570 2.705 . 0 0 "[ . 1 . 2]" 1
686 1 34 VAL H 1 34 VAL MG1 . . 4.080 3.806 3.746 3.864 . 0 0 "[ . 1 . 2]" 1
687 1 34 VAL H 1 34 VAL MG2 . . 3.400 3.038 2.903 3.144 . 0 0 "[ . 1 . 2]" 1
688 1 34 VAL H 1 65 THR HB . . 4.610 2.622 2.193 2.928 . 0 0 "[ . 1 . 2]" 1
689 1 34 VAL H 1 66 CYS H . . 3.800 2.932 2.653 3.160 . 0 0 "[ . 1 . 2]" 1
690 1 34 VAL H 1 66 CYS QB . . 4.410 4.195 3.979 4.381 . 0 0 "[ . 1 . 2]" 1
691 1 34 VAL H 1 67 LYS H . . 5.500 4.994 4.784 5.142 . 0 0 "[ . 1 . 2]" 1
692 1 34 VAL H 1 68 VAL H . . 5.500 4.954 4.709 5.151 . 0 0 "[ . 1 . 2]" 1
693 1 34 VAL H 1 68 VAL MG2 . . 5.290 5.103 4.930 5.278 . 0 0 "[ . 1 . 2]" 1
694 1 34 VAL HA 1 34 VAL MG1 . . 3.330 2.479 2.440 2.533 . 0 0 "[ . 1 . 2]" 1
695 1 34 VAL HA 1 34 VAL MG2 . . 3.430 2.315 2.252 2.376 . 0 0 "[ . 1 . 2]" 1
696 1 34 VAL HA 1 35 ASP H . . 3.130 2.187 2.148 2.205 . 0 0 "[ . 1 . 2]" 1
697 1 34 VAL HB 1 35 ASP H . . 5.140 4.476 4.420 4.528 . 0 0 "[ . 1 . 2]" 1
698 1 34 VAL HB 1 44 ILE MD . . 4.380 4.034 3.475 4.358 . 0 0 "[ . 1 . 2]" 1
699 1 34 VAL HB 1 66 CYS H . . 3.820 2.388 2.058 2.703 . 0 0 "[ . 1 . 2]" 1
700 1 34 VAL HB 1 66 CYS HA . . 5.100 4.411 4.098 4.710 . 0 0 "[ . 1 . 2]" 1
701 1 34 VAL HB 1 66 CYS HB2 . . 3.920 2.898 2.286 3.791 . 0 0 "[ . 1 . 2]" 1
702 1 34 VAL HB 1 66 CYS QB . . 3.290 2.386 1.991 2.816 . 0 0 "[ . 1 . 2]" 1
703 1 34 VAL HB 1 66 CYS HB3 . . 3.920 3.092 2.003 3.785 . 0 0 "[ . 1 . 2]" 1
704 1 34 VAL HB 1 67 LYS H . . 5.500 5.207 5.021 5.417 . 0 0 "[ . 1 . 2]" 1
705 1 34 VAL HB 1 68 VAL MG2 . . 4.290 4.160 3.928 4.290 . 0 0 "[ . 1 . 2]" 1
706 1 34 VAL MG1 1 35 ASP H . . 3.520 3.173 3.024 3.325 . 0 0 "[ . 1 . 2]" 1
707 1 34 VAL MG1 1 35 ASP HA . . 4.580 4.004 3.797 4.179 . 0 0 "[ . 1 . 2]" 1
708 1 34 VAL MG1 1 65 THR HB . . 4.320 4.218 4.021 4.321 0.001 2 0 "[ . 1 . 2]" 1
709 1 34 VAL MG1 1 66 CYS H . . 4.290 3.323 3.113 3.526 . 0 0 "[ . 1 . 2]" 1
710 1 34 VAL MG1 1 66 CYS HB2 . . 4.680 3.335 2.721 4.007 . 0 0 "[ . 1 . 2]" 1
711 1 34 VAL MG1 1 66 CYS QB . . 3.890 2.965 2.678 3.313 . 0 0 "[ . 1 . 2]" 1
712 1 34 VAL MG1 1 66 CYS HB3 . . 4.680 3.823 2.839 4.492 . 0 0 "[ . 1 . 2]" 1
713 1 34 VAL MG2 1 35 ASP H . . 4.350 4.136 4.030 4.212 . 0 0 "[ . 1 . 2]" 1
714 1 34 VAL MG2 1 66 CYS QB . . 3.700 3.057 2.479 3.490 . 0 0 "[ . 1 . 2]" 1
715 1 34 VAL MG2 1 68 VAL H . . 4.190 3.576 3.336 3.945 . 0 0 "[ . 1 . 2]" 1
716 1 34 VAL MG2 1 68 VAL HB . . 4.380 4.192 3.925 4.370 . 0 0 "[ . 1 . 2]" 1
717 1 34 VAL MG2 1 68 VAL MG2 . . 3.010 2.463 2.197 2.779 . 0 0 "[ . 1 . 2]" 1
718 1 35 ASP H 1 35 ASP HB2 . . 4.020 2.879 2.608 3.058 . 0 0 "[ . 1 . 2]" 1
719 1 35 ASP H 1 35 ASP HB3 . . 3.820 2.298 2.177 2.534 . 0 0 "[ . 1 . 2]" 1
720 1 35 ASP HA 1 36 THR H . . 3.180 2.152 2.138 2.205 . 0 0 "[ . 1 . 2]" 1
721 1 35 ASP HA 1 36 THR MG . . 4.460 4.191 3.913 4.391 . 0 0 "[ . 1 . 2]" 1
722 1 35 ASP HA 1 37 ARG H . . 3.820 3.460 3.246 3.661 . 0 0 "[ . 1 . 2]" 1
723 1 35 ASP HA 1 65 THR HB . . 4.490 3.313 2.825 3.961 . 0 0 "[ . 1 . 2]" 1
724 1 35 ASP HA 1 65 THR MG . . 3.710 1.988 1.912 2.158 . 0 0 "[ . 1 . 2]" 1
725 1 35 ASP HB2 1 36 THR H . . 4.910 4.271 4.082 4.483 . 0 0 "[ . 1 . 2]" 1
726 1 35 ASP HB2 1 65 THR MG . . 3.530 3.241 3.037 3.392 . 0 0 "[ . 1 . 2]" 1
727 1 35 ASP HB3 1 65 THR MG . . 4.460 4.346 4.189 4.447 . 0 0 "[ . 1 . 2]" 1
728 1 36 THR H 1 36 THR MG . . 4.070 3.178 2.917 3.431 . 0 0 "[ . 1 . 2]" 1
729 1 36 THR H 1 37 ARG H . . 3.340 2.062 1.801 2.459 . 0 0 "[ . 1 . 2]" 1
730 1 36 THR H 1 37 ARG QG . . 5.080 3.085 2.657 3.583 . 0 0 "[ . 1 . 2]" 1
731 1 36 THR H 1 65 THR MG . . 4.490 2.632 2.247 3.172 . 0 0 "[ . 1 . 2]" 1
732 1 36 THR HA 1 36 THR MG . . 3.090 2.225 2.075 2.376 . 0 0 "[ . 1 . 2]" 1
733 1 36 THR HA 1 38 ASP H . . 4.560 3.971 3.566 4.238 . 0 0 "[ . 1 . 2]" 1
734 1 36 THR HA 1 39 ALA H . . 3.570 3.163 2.937 3.550 . 0 0 "[ . 1 . 2]" 1
735 1 36 THR HA 1 39 ALA MB . . 3.200 2.441 2.110 2.742 . 0 0 "[ . 1 . 2]" 1
736 1 36 THR HB 1 39 ALA H . . 4.760 4.516 4.253 4.750 . 0 0 "[ . 1 . 2]" 1
737 1 36 THR HB 1 39 ALA MB . . 3.510 3.242 2.797 3.480 . 0 0 "[ . 1 . 2]" 1
738 1 36 THR HB 1 84 PHE QE . . 4.230 2.702 2.082 3.435 . 0 0 "[ . 1 . 2]" 1
739 1 36 THR MG 1 37 ARG H . . 4.700 4.290 4.064 4.441 . 0 0 "[ . 1 . 2]" 1
740 1 36 THR MG 1 39 ALA H . . 4.980 4.762 4.515 4.980 . 0 0 "[ . 1 . 2]" 1
741 1 36 THR MG 1 39 ALA MB . . 3.560 3.188 2.781 3.557 . 0 0 "[ . 1 . 2]" 1
742 1 36 THR MG 1 84 PHE HB2 . . 4.420 3.340 2.909 3.692 . 0 0 "[ . 1 . 2]" 1
743 1 36 THR MG 1 84 PHE HB3 . . 4.460 4.230 3.843 4.418 . 0 0 "[ . 1 . 2]" 1
744 1 36 THR MG 1 84 PHE QD . . 3.500 2.500 2.037 3.204 . 0 0 "[ . 1 . 2]" 1
745 1 37 ARG H 1 37 ARG QB . . 3.510 2.539 2.377 2.692 . 0 0 "[ . 1 . 2]" 1
746 1 37 ARG H 1 37 ARG HD2 . . 4.860 4.474 3.490 4.729 . 0 0 "[ . 1 . 2]" 1
747 1 37 ARG H 1 37 ARG QD . . 4.230 3.579 1.887 4.118 . 0 0 "[ . 1 . 2]" 1
748 1 37 ARG H 1 37 ARG HD3 . . 4.860 3.868 1.894 4.603 . 0 0 "[ . 1 . 2]" 1
749 1 37 ARG H 1 37 ARG HE . . 4.770 3.864 2.725 4.751 . 0 0 "[ . 1 . 2]" 1
750 1 37 ARG H 1 37 ARG HG2 . . 3.970 2.797 1.910 3.991 0.021 16 0 "[ . 1 . 2]" 1
751 1 37 ARG H 1 37 ARG QG . . 3.410 2.150 1.873 3.040 . 0 0 "[ . 1 . 2]" 1
752 1 37 ARG H 1 37 ARG HG3 . . 3.970 2.793 1.906 3.693 . 0 0 "[ . 1 . 2]" 1
753 1 37 ARG H 1 38 ASP H . . 3.640 2.605 2.374 2.889 . 0 0 "[ . 1 . 2]" 1
754 1 37 ARG H 1 39 ALA H . . 4.760 3.783 3.382 4.130 . 0 0 "[ . 1 . 2]" 1
755 1 37 ARG H 1 65 THR MG . . 4.350 3.455 2.815 4.331 . 0 0 "[ . 1 . 2]" 1
756 1 37 ARG HA 1 37 ARG QD . . 4.430 4.136 3.515 4.269 . 0 0 "[ . 1 . 2]" 1
757 1 37 ARG HA 1 39 ALA H . . 4.550 3.987 3.620 4.301 . 0 0 "[ . 1 . 2]" 1
758 1 37 ARG HA 1 40 GLY H . . 5.500 3.856 3.505 4.353 . 0 0 "[ . 1 . 2]" 1
759 1 37 ARG QB 1 37 ARG QD . . 3.230 2.225 2.010 2.657 . 0 0 "[ . 1 . 2]" 1
760 1 37 ARG QB 1 37 ARG HE . . 4.090 3.210 2.216 3.947 . 0 0 "[ . 1 . 2]" 1
761 1 37 ARG QB 1 38 ASP H . . 3.980 2.940 2.369 3.608 . 0 0 "[ . 1 . 2]" 1
762 1 37 ARG HB2 1 37 ARG HE . . 4.690 3.548 2.239 4.681 . 0 0 "[ . 1 . 2]" 1
763 1 37 ARG HB2 1 38 ASP H . . 4.810 3.111 2.403 4.005 . 0 0 "[ . 1 . 2]" 1
764 1 37 ARG HB3 1 37 ARG HE . . 4.690 4.027 3.041 4.610 . 0 0 "[ . 1 . 2]" 1
765 1 37 ARG HB3 1 38 ASP H . . 4.810 3.843 3.544 4.110 . 0 0 "[ . 1 . 2]" 1
766 1 37 ARG QD 1 65 THR MG . . 3.930 2.831 1.929 3.748 . 0 0 "[ . 1 . 2]" 1
767 1 37 ARG HD2 1 65 THR MG . . 4.550 3.990 1.992 4.517 . 0 0 "[ . 1 . 2]" 1
768 1 37 ARG HD3 1 65 THR MG . . 4.550 2.985 2.199 4.327 . 0 0 "[ . 1 . 2]" 1
769 1 37 ARG HE 1 37 ARG HG2 . . 4.110 2.991 2.251 3.625 . 0 0 "[ . 1 . 2]" 1
770 1 37 ARG HE 1 37 ARG QG . . 3.510 2.460 2.181 3.317 . 0 0 "[ . 1 . 2]" 1
771 1 37 ARG HE 1 37 ARG HG3 . . 4.110 2.821 2.297 3.927 . 0 0 "[ . 1 . 2]" 1
772 1 37 ARG HE 1 65 THR MG . . 4.060 3.358 2.076 3.987 . 0 0 "[ . 1 . 2]" 1
773 1 37 ARG QG 1 38 ASP H . . 5.030 3.056 1.829 4.268 . 0 0 "[ . 1 . 2]" 1
774 1 37 ARG QG 1 39 ALA H . . 5.340 4.715 3.923 5.341 0.001 14 0 "[ . 1 . 2]" 1
775 1 37 ARG QG 1 65 THR MG . . 3.950 2.935 2.168 3.524 . 0 0 "[ . 1 . 2]" 1
776 1 37 ARG HG2 1 65 THR MG . . 4.760 3.409 2.417 4.263 . 0 0 "[ . 1 . 2]" 1
777 1 37 ARG HG3 1 65 THR MG . . 4.760 3.710 2.190 4.722 . 0 0 "[ . 1 . 2]" 1
778 1 38 ASP H 1 38 ASP HB2 . . 4.010 2.531 2.197 3.587 . 0 0 "[ . 1 . 2]" 1
779 1 38 ASP H 1 38 ASP QB . . 3.370 2.341 2.175 2.775 . 0 0 "[ . 1 . 2]" 1
780 1 38 ASP H 1 38 ASP HB3 . . 4.010 3.040 2.396 3.618 . 0 0 "[ . 1 . 2]" 1
781 1 38 ASP H 1 39 ALA H . . 3.100 2.468 2.327 2.650 . 0 0 "[ . 1 . 2]" 1
782 1 38 ASP H 1 39 ALA MB . . 4.440 4.069 3.858 4.197 . 0 0 "[ . 1 . 2]" 1
783 1 38 ASP H 1 40 GLY H . . 4.710 4.483 4.202 4.711 0.001 13 0 "[ . 1 . 2]" 1
784 1 38 ASP HA 1 40 GLY H . . 5.160 4.775 4.266 5.141 . 0 0 "[ . 1 . 2]" 1
785 1 38 ASP QB 1 39 ALA H . . 3.920 3.167 2.855 3.652 . 0 0 "[ . 1 . 2]" 1
786 1 38 ASP QB 1 39 ALA HA . . 5.100 4.096 3.921 4.358 . 0 0 "[ . 1 . 2]" 1
787 1 38 ASP QB 1 39 ALA MB . . 4.540 4.061 3.869 4.514 . 0 0 "[ . 1 . 2]" 1
788 1 38 ASP HB2 1 39 ALA H . . 4.480 3.741 2.973 4.371 . 0 0 "[ . 1 . 2]" 1
789 1 38 ASP HB3 1 39 ALA H . . 4.480 3.617 2.956 4.420 . 0 0 "[ . 1 . 2]" 1
790 1 39 ALA H 1 39 ALA MB . . 2.950 2.216 2.068 2.356 . 0 0 "[ . 1 . 2]" 1
791 1 39 ALA H 1 40 GLY H . . 3.030 2.534 2.271 2.745 . 0 0 "[ . 1 . 2]" 1
792 1 39 ALA H 1 40 GLY HA2 . . 4.910 4.704 4.415 4.908 . 0 0 "[ . 1 . 2]" 1
793 1 39 ALA MB 1 40 GLY H . . 3.530 2.389 2.101 2.687 . 0 0 "[ . 1 . 2]" 1
794 1 39 ALA MB 1 41 TYR H . . 5.360 4.575 4.306 4.849 . 0 0 "[ . 1 . 2]" 1
795 1 39 ALA MB 1 84 PHE QD . . 4.340 3.469 3.002 3.982 . 0 0 "[ . 1 . 2]" 1
796 1 39 ALA MB 1 84 PHE QE . . 3.870 2.427 2.007 3.089 . 0 0 "[ . 1 . 2]" 1
797 1 39 ALA MB 1 84 PHE HZ . . 4.350 2.866 2.522 3.359 . 0 0 "[ . 1 . 2]" 1
798 1 40 GLY H 1 40 GLY HA2 . . 2.850 2.587 2.471 2.711 . 0 0 "[ . 1 . 2]" 1
799 1 40 GLY H 1 41 TYR H . . 4.290 4.117 3.855 4.265 . 0 0 "[ . 1 . 2]" 1
800 1 40 GLY HA2 1 41 TYR H . . 3.450 3.291 3.187 3.392 . 0 0 "[ . 1 . 2]" 1
801 1 40 GLY HA3 1 41 TYR H . . 2.970 2.145 2.136 2.172 . 0 0 "[ . 1 . 2]" 1
802 1 40 GLY HA3 1 41 TYR QB . . 5.110 4.059 3.986 4.143 . 0 0 "[ . 1 . 2]" 1
803 1 40 GLY HA3 1 84 PHE HZ . . 4.850 3.589 3.077 3.982 . 0 0 "[ . 1 . 2]" 1
804 1 41 TYR H 1 41 TYR QB . . 2.920 2.655 2.492 2.779 . 0 0 "[ . 1 . 2]" 1
805 1 41 TYR H 1 41 TYR QD . . 4.550 4.408 4.266 4.502 . 0 0 "[ . 1 . 2]" 1
806 1 41 TYR H 1 42 GLY H . . 4.570 4.423 4.363 4.488 . 0 0 "[ . 1 . 2]" 1
807 1 41 TYR H 1 84 PHE HZ . . 4.640 2.904 2.324 3.178 . 0 0 "[ . 1 . 2]" 1
808 1 41 TYR HA 1 41 TYR QD . . 3.650 2.597 2.028 3.029 . 0 0 "[ . 1 . 2]" 1
809 1 41 TYR HA 1 42 GLY H . . 2.710 2.446 2.305 2.649 . 0 0 "[ . 1 . 2]" 1
810 1 41 TYR HA 1 42 GLY QA . . 4.680 4.002 3.959 4.070 . 0 0 "[ . 1 . 2]" 1
811 1 41 TYR QB 1 42 GLY H . . 3.490 3.121 2.696 3.386 . 0 0 "[ . 1 . 2]" 1
812 1 41 TYR QD 1 42 GLY H . . 3.960 2.723 2.238 3.038 . 0 0 "[ . 1 . 2]" 1
813 1 41 TYR QD 1 42 GLY QA . . 4.480 3.234 2.593 3.916 . 0 0 "[ . 1 . 2]" 1
814 1 41 TYR QE 1 42 GLY QA . . 5.050 4.195 3.484 4.994 . 0 0 "[ . 1 . 2]" 1
815 1 42 GLY H 1 43 GLY H . . 4.550 4.266 3.950 4.398 . 0 0 "[ . 1 . 2]" 1
816 1 42 GLY H 1 84 PHE HZ . . 4.600 4.399 4.027 4.601 0.001 16 0 "[ . 1 . 2]" 1
817 1 42 GLY QA 1 43 GLY H . . 2.810 2.234 2.131 2.284 . 0 0 "[ . 1 . 2]" 1
818 1 42 GLY QA 1 43 GLY HA2 . . 4.640 3.974 3.946 4.033 . 0 0 "[ . 1 . 2]" 1
819 1 42 GLY QA 1 43 GLY HA3 . . 4.160 4.119 4.096 4.131 . 0 0 "[ . 1 . 2]" 1
820 1 42 GLY QA 1 84 PHE QD . . 5.500 4.266 3.701 4.531 . 0 0 "[ . 1 . 2]" 1
821 1 42 GLY QA 1 84 PHE QE . . 4.430 3.778 3.057 4.067 . 0 0 "[ . 1 . 2]" 1
822 1 42 GLY QA 1 84 PHE HZ . . 4.360 4.112 3.554 4.361 0.001 17 0 "[ . 1 . 2]" 1
823 1 42 GLY QA 1 85 ALA H . . 4.430 3.412 3.081 3.794 . 0 0 "[ . 1 . 2]" 1
824 1 42 GLY QA 1 85 ALA HA . . 4.500 2.796 2.369 3.115 . 0 0 "[ . 1 . 2]" 1
825 1 42 GLY QA 1 85 ALA MB . . 3.450 2.079 1.891 2.451 . 0 0 "[ . 1 . 2]" 1
826 1 43 GLY H 1 44 ILE H . . 4.670 4.503 4.448 4.590 . 0 0 "[ . 1 . 2]" 1
827 1 43 GLY H 1 84 PHE HA . . 5.470 5.244 4.923 5.454 . 0 0 "[ . 1 . 2]" 1
828 1 43 GLY H 1 85 ALA H . . 3.850 3.439 3.123 3.803 . 0 0 "[ . 1 . 2]" 1
829 1 43 GLY H 1 85 ALA HA . . 4.000 2.783 2.224 3.224 . 0 0 "[ . 1 . 2]" 1
830 1 43 GLY H 1 85 ALA MB . . 4.100 3.741 3.289 4.094 . 0 0 "[ . 1 . 2]" 1
831 1 43 GLY HA2 1 44 ILE H . . 3.300 2.161 2.138 2.345 . 0 0 "[ . 1 . 2]" 1
832 1 43 GLY HA2 1 44 ILE HB . . 4.750 4.610 4.507 4.658 . 0 0 "[ . 1 . 2]" 1
833 1 43 GLY HA3 1 44 ILE H . . 3.290 3.195 2.808 3.287 . 0 0 "[ . 1 . 2]" 1
834 1 44 ILE H 1 44 ILE HB . . 2.950 2.503 2.402 2.594 . 0 0 "[ . 1 . 2]" 1
835 1 44 ILE H 1 44 ILE MD . . 3.910 3.635 3.450 3.905 . 0 0 "[ . 1 . 2]" 1
836 1 44 ILE H 1 44 ILE HG12 . . 4.060 3.795 3.593 4.056 . 0 0 "[ . 1 . 2]" 1
837 1 44 ILE H 1 44 ILE HG13 . . 3.820 2.489 2.327 2.740 . 0 0 "[ . 1 . 2]" 1
838 1 44 ILE H 1 44 ILE MG . . 3.940 3.784 3.734 3.829 . 0 0 "[ . 1 . 2]" 1
839 1 44 ILE H 1 45 SER H . . 4.680 4.504 4.406 4.553 . 0 0 "[ . 1 . 2]" 1
840 1 44 ILE HA 1 44 ILE MD . . 4.020 3.855 3.770 3.889 . 0 0 "[ . 1 . 2]" 1
841 1 44 ILE HA 1 44 ILE HG13 . . 4.210 2.886 2.677 3.105 . 0 0 "[ . 1 . 2]" 1
842 1 44 ILE HA 1 44 ILE MG . . 3.520 2.432 2.347 2.468 . 0 0 "[ . 1 . 2]" 1
843 1 44 ILE HA 1 45 SER H . . 2.760 2.166 2.147 2.206 . 0 0 "[ . 1 . 2]" 1
844 1 44 ILE HA 1 83 LYS HB3 . . 4.830 4.514 4.113 4.750 . 0 0 "[ . 1 . 2]" 1
845 1 44 ILE HA 1 84 PHE QD . . 4.400 3.854 3.169 4.371 . 0 0 "[ . 1 . 2]" 1
846 1 44 ILE HA 1 85 ALA H . . 4.510 3.429 3.111 3.634 . 0 0 "[ . 1 . 2]" 1
847 1 44 ILE HB 1 44 ILE MD . . 3.440 2.313 2.183 2.451 . 0 0 "[ . 1 . 2]" 1
848 1 44 ILE HB 1 45 SER H . . 4.200 4.137 4.003 4.201 0.001 16 0 "[ . 1 . 2]" 1
849 1 44 ILE HB 1 84 PHE HA . . 5.190 5.081 4.858 5.182 . 0 0 "[ . 1 . 2]" 1
850 1 44 ILE MD 1 45 SER H . . 5.280 5.088 4.930 5.173 . 0 0 "[ . 1 . 2]" 1
851 1 44 ILE MD 1 66 CYS HB2 . . 4.450 2.921 2.501 3.494 . 0 0 "[ . 1 . 2]" 1
852 1 44 ILE MD 1 66 CYS QB . . 3.760 2.785 2.314 3.360 . 0 0 "[ . 1 . 2]" 1
853 1 44 ILE MD 1 66 CYS HB3 . . 4.450 3.571 2.728 4.357 . 0 0 "[ . 1 . 2]" 1
854 1 44 ILE MD 1 84 PHE HA . . 4.730 4.536 4.146 4.732 0.002 13 0 "[ . 1 . 2]" 1
855 1 44 ILE MD 1 84 PHE HB2 . . 4.280 4.072 3.766 4.253 . 0 0 "[ . 1 . 2]" 1
856 1 44 ILE MD 1 84 PHE QD . . 3.810 2.876 2.527 3.229 . 0 0 "[ . 1 . 2]" 1
857 1 44 ILE MD 1 84 PHE QE . . 4.720 3.596 3.298 3.854 . 0 0 "[ . 1 . 2]" 1
858 1 44 ILE HG12 1 44 ILE MG . . 3.390 2.237 2.097 2.410 . 0 0 "[ . 1 . 2]" 1
859 1 44 ILE HG12 1 45 SER H . . 4.420 4.346 4.078 4.421 0.001 16 0 "[ . 1 . 2]" 1
860 1 44 ILE HG12 1 84 PHE HB2 . . 4.310 2.964 2.725 3.348 . 0 0 "[ . 1 . 2]" 1
861 1 44 ILE HG12 1 84 PHE QD . . 3.720 2.069 1.998 2.251 . 0 0 "[ . 1 . 2]" 1
862 1 44 ILE HG13 1 45 SER H . . 5.240 4.918 4.686 5.106 . 0 0 "[ . 1 . 2]" 1
863 1 44 ILE HG13 1 84 PHE QD . . 4.050 2.731 2.255 3.332 . 0 0 "[ . 1 . 2]" 1
864 1 44 ILE MG 1 45 SER H . . 3.300 2.399 2.164 2.653 . 0 0 "[ . 1 . 2]" 1
865 1 44 ILE MG 1 45 SER QB . . 4.750 4.131 4.037 4.334 . 0 0 "[ . 1 . 2]" 1
866 1 44 ILE MG 1 46 LEU H . . 4.370 3.768 3.464 4.132 . 0 0 "[ . 1 . 2]" 1
867 1 44 ILE MG 1 66 CYS QB . . 4.830 3.790 3.425 4.312 . 0 0 "[ . 1 . 2]" 1
868 1 44 ILE MG 1 84 PHE HB2 . . 4.530 3.598 3.212 4.033 . 0 0 "[ . 1 . 2]" 1
869 1 44 ILE MG 1 84 PHE HB3 . . 5.500 5.027 4.705 5.417 . 0 0 "[ . 1 . 2]" 1
870 1 44 ILE MG 1 84 PHE QD . . 3.960 3.838 3.684 3.959 . 0 0 "[ . 1 . 2]" 1
871 1 45 SER H 1 45 SER QB . . 3.430 2.454 2.329 2.604 . 0 0 "[ . 1 . 2]" 1
872 1 45 SER H 1 83 LYS HB2 . . 4.040 2.915 2.612 3.077 . 0 0 "[ . 1 . 2]" 1
873 1 45 SER H 1 83 LYS HB3 . . 4.200 3.441 3.218 3.665 . 0 0 "[ . 1 . 2]" 1
874 1 45 SER H 1 84 PHE HA . . 3.870 3.725 3.539 3.873 0.003 11 0 "[ . 1 . 2]" 1
875 1 45 SER QB 1 46 LEU H . . 3.970 3.598 3.200 3.865 . 0 0 "[ . 1 . 2]" 1
876 1 45 SER QB 1 83 LYS H . . 4.100 3.501 3.151 3.818 . 0 0 "[ . 1 . 2]" 1
877 1 45 SER QB 1 83 LYS HA . . 4.790 4.685 4.556 4.792 0.002 18 0 "[ . 1 . 2]" 1
878 1 45 SER QB 1 83 LYS HB2 . . 3.480 1.997 1.951 2.066 . 0 0 "[ . 1 . 2]" 1
879 1 45 SER QB 1 83 LYS HB3 . . 3.800 2.927 2.587 3.211 . 0 0 "[ . 1 . 2]" 1
880 1 45 SER QB 1 83 LYS QD . . 4.220 3.471 2.697 3.869 . 0 0 "[ . 1 . 2]" 1
881 1 45 SER QB 1 83 LYS QE . . 4.850 2.824 2.140 4.618 . 0 0 "[ . 1 . 2]" 1
882 1 45 SER QB 1 83 LYS HG2 . . 4.930 4.593 4.462 4.737 . 0 0 "[ . 1 . 2]" 1
883 1 45 SER QB 1 83 LYS HG3 . . 4.430 3.779 3.376 3.979 . 0 0 "[ . 1 . 2]" 1
884 1 46 LEU H 1 46 LEU HB2 . . 3.340 2.604 2.486 2.704 . 0 0 "[ . 1 . 2]" 1
885 1 46 LEU H 1 46 LEU HB3 . . 3.780 3.739 3.685 3.780 . 1 0 "[ . 1 . 2]" 1
886 1 46 LEU H 1 46 LEU MD1 . . 4.320 3.619 3.404 3.846 . 0 0 "[ . 1 . 2]" 1
887 1 46 LEU H 1 46 LEU MD2 . . 4.310 4.059 3.830 4.261 . 0 0 "[ . 1 . 2]" 1
888 1 46 LEU H 1 46 LEU HG . . 3.750 2.875 2.531 3.150 . 0 0 "[ . 1 . 2]" 1
889 1 46 LEU HA 1 46 LEU MD1 . . 4.300 3.934 3.895 3.984 . 0 0 "[ . 1 . 2]" 1
890 1 46 LEU HA 1 46 LEU MD2 . . 3.310 2.459 2.154 2.610 . 0 0 "[ . 1 . 2]" 1
891 1 46 LEU HA 1 47 ALA H . . 2.760 2.170 2.140 2.236 . 0 0 "[ . 1 . 2]" 1
892 1 46 LEU HA 1 47 ALA MB . . 4.360 3.920 3.793 4.031 . 0 0 "[ . 1 . 2]" 1
893 1 46 LEU HA 1 82 THR HA . . 3.980 3.196 2.916 3.359 . 0 0 "[ . 1 . 2]" 1
894 1 46 LEU HA 1 82 THR MG . . 4.790 4.428 4.111 4.676 . 0 0 "[ . 1 . 2]" 1
895 1 46 LEU HA 1 83 LYS H . . 4.040 3.826 3.602 4.041 0.001 16 0 "[ . 1 . 2]" 1
896 1 46 LEU HB2 1 46 LEU MD1 . . 3.370 2.128 1.984 2.270 . 0 0 "[ . 1 . 2]" 1
897 1 46 LEU HB2 1 47 ALA H . . 4.700 4.106 3.819 4.319 . 0 0 "[ . 1 . 2]" 1
898 1 46 LEU HB2 1 68 VAL MG1 . . 5.160 3.975 3.382 4.681 . 0 0 "[ . 1 . 2]" 1
899 1 46 LEU HB2 1 68 VAL MG2 . . 5.500 3.995 3.390 4.472 . 0 0 "[ . 1 . 2]" 1
900 1 46 LEU HB3 1 46 LEU MD1 . . 3.510 2.584 2.446 2.674 . 0 0 "[ . 1 . 2]" 1
901 1 46 LEU HB3 1 46 LEU MD2 . . 3.440 2.124 2.015 2.273 . 0 0 "[ . 1 . 2]" 1
902 1 46 LEU HB3 1 47 ALA H . . 3.730 3.185 2.891 3.477 . 0 0 "[ . 1 . 2]" 1
903 1 46 LEU HB3 1 56 ILE MD . . 3.720 3.277 2.659 3.720 . 0 0 "[ . 1 . 2]" 1
904 1 46 LEU HB3 1 58 THR MG . . 4.910 4.410 3.911 4.756 . 0 0 "[ . 1 . 2]" 1
905 1 46 LEU HB3 1 68 VAL MG1 . . 4.700 3.286 2.745 3.768 . 0 0 "[ . 1 . 2]" 1
906 1 46 LEU HB3 1 68 VAL MG2 . . 5.020 3.469 2.853 3.864 . 0 0 "[ . 1 . 2]" 1
907 1 46 LEU MD1 1 47 ALA H . . 5.430 5.161 4.923 5.328 . 0 0 "[ . 1 . 2]" 1
908 1 46 LEU MD1 1 68 VAL MG2 . . 3.000 1.812 1.659 2.128 . 0 0 "[ . 1 . 2]" 1
909 1 46 LEU MD2 1 47 ALA H . . 3.890 3.740 3.490 3.875 . 0 0 "[ . 1 . 2]" 1
910 1 46 LEU MD2 1 56 ILE MD . . 4.640 4.354 3.907 4.606 . 0 0 "[ . 1 . 2]" 1
911 1 46 LEU MD2 1 68 VAL HB . . 5.000 4.085 3.836 4.571 . 0 0 "[ . 1 . 2]" 1
912 1 46 LEU MD2 1 68 VAL MG2 . . 3.110 2.079 1.897 2.376 . 0 0 "[ . 1 . 2]" 1
913 1 46 LEU MD2 1 80 VAL MG1 . . 3.770 3.127 2.761 3.502 . 0 0 "[ . 1 . 2]" 1
914 1 46 LEU MD2 1 82 THR HA . . 3.620 2.429 1.993 2.834 . 0 0 "[ . 1 . 2]" 1
915 1 46 LEU MD2 1 82 THR HB . . 4.800 4.319 3.705 4.665 . 0 0 "[ . 1 . 2]" 1
916 1 46 LEU MD2 1 82 THR HG1 . . 4.380 3.963 2.877 4.346 . 0 0 "[ . 1 . 2]" 1
917 1 46 LEU MD2 1 83 LYS H . . 4.010 3.496 2.819 3.954 . 0 0 "[ . 1 . 2]" 1
918 1 46 LEU HG 1 68 VAL MG2 . . 4.810 3.881 3.625 4.240 . 0 0 "[ . 1 . 2]" 1
919 1 47 ALA H 1 47 ALA MB . . 3.320 2.731 2.626 2.801 . 0 0 "[ . 1 . 2]" 1
920 1 47 ALA H 1 48 VAL H . . 4.040 3.910 3.763 4.040 0.000 12 0 "[ . 1 . 2]" 1
921 1 47 ALA H 1 48 VAL MG2 . . 4.330 3.845 3.561 4.244 . 0 0 "[ . 1 . 2]" 1
922 1 47 ALA H 1 56 ILE MD . . 4.910 4.111 3.837 4.411 . 0 0 "[ . 1 . 2]" 1
923 1 47 ALA H 1 80 VAL MG1 . . 4.680 3.775 3.578 4.034 . 0 0 "[ . 1 . 2]" 1
924 1 47 ALA H 1 81 SER H . . 3.630 3.094 2.865 3.271 . 0 0 "[ . 1 . 2]" 1
925 1 47 ALA H 1 81 SER HB2 . . 4.350 3.228 2.816 4.251 . 0 0 "[ . 1 . 2]" 1
926 1 47 ALA H 1 81 SER QB . . 3.680 3.019 2.582 3.681 0.001 17 0 "[ . 1 . 2]" 1
927 1 47 ALA H 1 81 SER HB3 . . 4.350 3.969 2.604 4.301 . 0 0 "[ . 1 . 2]" 1
928 1 47 ALA H 1 83 LYS H . . 5.500 5.428 5.259 5.503 0.003 19 0 "[ . 1 . 2]" 1
929 1 47 ALA HA 1 48 VAL H . . 2.670 2.149 2.141 2.159 . 0 0 "[ . 1 . 2]" 1
930 1 47 ALA HA 1 48 VAL HB . . 4.710 4.609 4.445 4.705 . 0 0 "[ . 1 . 2]" 1
931 1 47 ALA HA 1 48 VAL MG2 . . 4.250 3.802 3.578 4.065 . 0 0 "[ . 1 . 2]" 1
932 1 47 ALA HA 1 56 ILE MD . . 3.610 3.036 2.697 3.357 . 0 0 "[ . 1 . 2]" 1
933 1 47 ALA MB 1 48 VAL H . . 3.420 3.328 3.174 3.417 . 0 0 "[ . 1 . 2]" 1
934 1 47 ALA MB 1 48 VAL MG2 . . 4.790 4.524 4.407 4.680 . 0 0 "[ . 1 . 2]" 1
935 1 47 ALA MB 1 49 GLU H . . 5.190 4.861 4.590 5.074 . 0 0 "[ . 1 . 2]" 1
936 1 47 ALA MB 1 49 GLU QG . . 3.650 3.345 3.128 3.608 . 0 0 "[ . 1 . 2]" 1
937 1 47 ALA MB 1 56 ILE MD . . 4.500 4.240 3.924 4.503 0.003 17 0 "[ . 1 . 2]" 1
938 1 47 ALA MB 1 81 SER H . . 4.190 3.841 3.567 4.164 . 0 0 "[ . 1 . 2]" 1
939 1 47 ALA MB 1 81 SER HB2 . . 4.030 2.828 2.257 3.969 . 0 0 "[ . 1 . 2]" 1
940 1 47 ALA MB 1 81 SER QB . . 3.290 2.651 2.210 3.283 . 0 0 "[ . 1 . 2]" 1
941 1 47 ALA MB 1 81 SER HB3 . . 4.030 3.551 2.248 3.988 . 0 0 "[ . 1 . 2]" 1
942 1 48 VAL H 1 48 VAL HB . . 3.320 2.490 2.391 2.559 . 0 0 "[ . 1 . 2]" 1
943 1 48 VAL H 1 48 VAL MG1 . . 4.190 3.779 3.716 3.813 . 0 0 "[ . 1 . 2]" 1
944 1 48 VAL H 1 48 VAL MG2 . . 3.510 2.519 2.286 2.930 . 0 0 "[ . 1 . 2]" 1
945 1 48 VAL H 1 49 GLU H . . 4.490 4.436 4.328 4.499 0.009 9 0 "[ . 1 . 2]" 1
946 1 48 VAL H 1 56 ILE MD . . 3.520 2.379 2.078 2.739 . 0 0 "[ . 1 . 2]" 1
947 1 48 VAL H 1 81 SER H . . 4.910 4.758 4.607 4.853 . 0 0 "[ . 1 . 2]" 1
948 1 48 VAL HB 1 49 GLU H . . 4.490 4.257 4.114 4.362 . 0 0 "[ . 1 . 2]" 1
949 1 48 VAL HB 1 54 VAL MG2 . . 3.250 2.202 1.936 2.674 . 0 0 "[ . 1 . 2]" 1
950 1 48 VAL HB 1 78 TYR QD . . 4.920 4.094 3.740 4.638 . 0 0 "[ . 1 . 2]" 1
951 1 48 VAL HB 1 80 VAL MG2 . . 4.610 4.369 4.071 4.594 . 0 0 "[ . 1 . 2]" 1
952 1 48 VAL MG1 1 49 GLU H . . 3.420 2.620 2.355 2.944 . 0 0 "[ . 1 . 2]" 1
953 1 48 VAL MG1 1 49 GLU QB . . 5.210 4.339 4.240 4.577 . 0 0 "[ . 1 . 2]" 1
954 1 48 VAL MG1 1 50 GLY H . . 4.760 3.512 3.175 3.836 . 0 0 "[ . 1 . 2]" 1
955 1 48 VAL MG1 1 54 VAL H . . 4.910 4.544 4.204 4.894 . 0 0 "[ . 1 . 2]" 1
956 1 48 VAL MG1 1 54 VAL HB . . 4.270 4.081 3.891 4.267 . 0 0 "[ . 1 . 2]" 1
957 1 48 VAL MG1 1 54 VAL MG1 . . 3.710 3.468 3.235 3.651 . 0 0 "[ . 1 . 2]" 1
958 1 48 VAL MG1 1 70 TYR QD . . 4.590 4.180 3.889 4.468 . 0 0 "[ . 1 . 2]" 1
959 1 48 VAL MG1 1 70 TYR QE . . 4.590 4.371 4.019 4.593 0.003 19 0 "[ . 1 . 2]" 1
960 1 48 VAL MG1 1 78 TYR HA . . 4.700 3.375 3.153 3.815 . 0 0 "[ . 1 . 2]" 1
961 1 48 VAL MG1 1 78 TYR HB2 . . 4.010 3.416 3.158 3.833 . 0 0 "[ . 1 . 2]" 1
962 1 48 VAL MG1 1 78 TYR HB3 . . 3.700 2.041 1.856 2.445 . 0 0 "[ . 1 . 2]" 1
963 1 48 VAL MG1 1 78 TYR QD . . 3.260 1.898 1.811 2.202 . 0 0 "[ . 1 . 2]" 1
964 1 48 VAL MG1 1 78 TYR QE . . 3.950 3.477 3.216 3.698 . 0 0 "[ . 1 . 2]" 1
965 1 48 VAL MG1 1 79 ILE H . . 4.360 3.309 3.065 3.512 . 0 0 "[ . 1 . 2]" 1
966 1 48 VAL MG1 1 79 ILE HB . . 5.500 4.662 4.457 4.882 . 0 0 "[ . 1 . 2]" 1
967 1 48 VAL MG1 1 96 VAL HB . . 5.500 4.735 4.322 5.172 . 0 0 "[ . 1 . 2]" 1
968 1 48 VAL MG2 1 49 GLU H . . 4.210 4.031 3.803 4.133 . 0 0 "[ . 1 . 2]" 1
969 1 48 VAL MG2 1 54 VAL HB . . 4.840 4.487 4.197 4.840 . 0 0 "[ . 1 . 2]" 1
970 1 48 VAL MG2 1 56 ILE MD . . 2.940 1.912 1.721 2.159 . 0 0 "[ . 1 . 2]" 1
971 1 48 VAL MG2 1 56 ILE HG12 . . 4.220 3.422 2.730 4.062 . 0 0 "[ . 1 . 2]" 1
972 1 48 VAL MG2 1 56 ILE HG13 . . 4.240 3.837 3.368 4.073 . 0 0 "[ . 1 . 2]" 1
973 1 48 VAL MG2 1 70 TYR HB2 . . 4.580 3.933 3.501 4.290 . 0 0 "[ . 1 . 2]" 1
974 1 48 VAL MG2 1 70 TYR HB3 . . 4.750 3.508 3.105 3.930 . 0 0 "[ . 1 . 2]" 1
975 1 48 VAL MG2 1 70 TYR QD . . 4.480 3.717 3.153 4.030 . 0 0 "[ . 1 . 2]" 1
976 1 48 VAL MG2 1 70 TYR QE . . 4.720 4.360 3.883 4.673 . 0 0 "[ . 1 . 2]" 1
977 1 48 VAL MG2 1 80 VAL HB . . 4.560 4.196 3.853 4.504 . 0 0 "[ . 1 . 2]" 1
978 1 48 VAL MG2 1 80 VAL MG1 . . 3.110 2.737 2.513 2.927 . 0 0 "[ . 1 . 2]" 1
979 1 48 VAL MG2 1 80 VAL MG2 . . 3.110 1.945 1.779 2.067 . 0 0 "[ . 1 . 2]" 1
980 1 48 VAL MG2 1 81 SER H . . 4.250 3.830 3.400 4.132 . 0 0 "[ . 1 . 2]" 1
981 1 49 GLU H 1 49 GLU HB2 . . 3.890 2.510 2.381 2.705 . 0 0 "[ . 1 . 2]" 1
982 1 49 GLU H 1 49 GLU QB . . 3.220 2.471 2.348 2.651 . 0 0 "[ . 1 . 2]" 1
983 1 49 GLU H 1 49 GLU HB3 . . 3.890 3.687 3.582 3.808 . 0 0 "[ . 1 . 2]" 1
984 1 49 GLU H 1 49 GLU QG . . 3.790 3.062 2.705 3.420 . 0 0 "[ . 1 . 2]" 1
985 1 49 GLU H 1 50 GLY H . . 4.300 4.113 3.917 4.293 . 0 0 "[ . 1 . 2]" 1
986 1 49 GLU H 1 78 TYR HA . . 4.750 4.349 3.902 4.652 . 0 0 "[ . 1 . 2]" 1
987 1 49 GLU H 1 78 TYR QD . . 4.930 4.417 4.139 4.631 . 0 0 "[ . 1 . 2]" 1
988 1 49 GLU H 1 79 ILE H . . 3.590 2.853 2.574 3.274 . 0 0 "[ . 1 . 2]" 1
989 1 49 GLU H 1 79 ILE HB . . 3.980 2.916 2.766 3.151 . 0 0 "[ . 1 . 2]" 1
990 1 49 GLU H 1 79 ILE QG . . 5.340 4.364 4.147 4.694 . 0 0 "[ . 1 . 2]" 1
991 1 49 GLU H 1 80 VAL MG2 . . 4.700 4.445 4.210 4.641 . 0 0 "[ . 1 . 2]" 1
992 1 49 GLU HA 1 49 GLU QG . . 3.520 2.444 2.182 2.579 . 0 0 "[ . 1 . 2]" 1
993 1 49 GLU QB 1 50 GLY H . . 3.770 3.577 3.218 3.751 . 0 0 "[ . 1 . 2]" 1
994 1 49 GLU QB 1 50 GLY HA2 . . 5.340 4.162 4.059 4.255 . 0 0 "[ . 1 . 2]" 1
995 1 49 GLU QB 1 79 ILE H . . 4.240 3.459 3.116 3.653 . 0 0 "[ . 1 . 2]" 1
996 1 49 GLU QB 1 79 ILE HB . . 4.100 2.335 2.024 2.603 . 0 0 "[ . 1 . 2]" 1
997 1 49 GLU HB2 1 79 ILE H . . 4.970 3.608 3.276 3.898 . 0 0 "[ . 1 . 2]" 1
998 1 49 GLU HB3 1 79 ILE H . . 4.970 4.461 3.905 4.886 . 0 0 "[ . 1 . 2]" 1
999 1 49 GLU QG 1 50 GLY H . . 4.580 4.381 4.099 4.560 . 0 0 "[ . 1 . 2]" 1
1000 1 49 GLU QG 1 79 ILE MG . . 4.710 4.371 3.950 4.681 . 0 0 "[ . 1 . 2]" 1
1001 1 50 GLY H 1 51 PRO HD2 . . 4.530 4.352 4.257 4.460 . 0 0 "[ . 1 . 2]" 1
1002 1 50 GLY H 1 51 PRO HD3 . . 5.260 5.051 5.022 5.080 . 0 0 "[ . 1 . 2]" 1
1003 1 50 GLY H 1 52 SER H . . 4.090 3.598 3.389 4.080 . 0 0 "[ . 1 . 2]" 1
1004 1 50 GLY H 1 78 TYR QD . . 4.780 3.360 3.095 3.596 . 0 0 "[ . 1 . 2]" 1
1005 1 50 GLY HA2 1 51 PRO HD2 . . 3.460 3.089 2.995 3.156 . 0 0 "[ . 1 . 2]" 1
1006 1 50 GLY HA2 1 51 PRO HD3 . . 3.540 2.799 2.705 2.867 . 0 0 "[ . 1 . 2]" 1
1007 1 50 GLY HA2 1 51 PRO HG2 . . 5.230 5.099 5.015 5.159 . 0 0 "[ . 1 . 2]" 1
1008 1 50 GLY HA2 1 52 SER H . . 4.360 4.166 4.106 4.301 . 0 0 "[ . 1 . 2]" 1
1009 1 50 GLY HA2 1 78 TYR HA . . 4.020 2.601 2.354 2.865 . 0 0 "[ . 1 . 2]" 1
1010 1 50 GLY HA2 1 78 TYR QD . . 4.510 3.883 3.575 4.066 . 0 0 "[ . 1 . 2]" 1
1011 1 50 GLY HA2 1 79 ILE H . . 4.330 3.442 3.126 3.792 . 0 0 "[ . 1 . 2]" 1
1012 1 50 GLY HA2 1 79 ILE HB . . 5.500 5.184 4.921 5.460 . 0 0 "[ . 1 . 2]" 1
1013 1 50 GLY HA3 1 51 PRO HA . . 4.710 4.619 4.600 4.646 . 0 0 "[ . 1 . 2]" 1
1014 1 50 GLY HA3 1 51 PRO HD2 . . 3.490 2.031 1.992 2.093 . 0 0 "[ . 1 . 2]" 1
1015 1 50 GLY HA3 1 51 PRO HD3 . . 3.470 2.834 2.766 2.931 . 0 0 "[ . 1 . 2]" 1
1016 1 50 GLY HA3 1 51 PRO HG2 . . 4.550 4.178 4.154 4.219 . 0 0 "[ . 1 . 2]" 1
1017 1 50 GLY HA3 1 51 PRO HG3 . . 4.850 4.601 4.550 4.677 . 0 0 "[ . 1 . 2]" 1
1018 1 50 GLY HA3 1 78 TYR HA . . 4.130 2.638 2.457 2.861 . 0 0 "[ . 1 . 2]" 1
1019 1 50 GLY HA3 1 78 TYR QD . . 4.290 2.583 2.327 2.758 . 0 0 "[ . 1 . 2]" 1
1020 1 50 GLY HA3 1 78 TYR QE . . 4.260 3.074 2.781 3.251 . 0 0 "[ . 1 . 2]" 1
1021 1 50 GLY HA3 1 79 ILE H . . 4.420 4.053 3.898 4.287 . 0 0 "[ . 1 . 2]" 1
1022 1 51 PRO HA 1 74 VAL MG1 . . 4.530 4.475 4.346 4.534 0.004 18 0 "[ . 1 . 2]" 1
1023 1 51 PRO HB2 1 52 SER H . . 4.300 3.869 3.630 3.960 . 0 0 "[ . 1 . 2]" 1
1024 1 51 PRO HB2 1 52 SER QB . . 5.100 3.706 3.480 4.146 . 0 0 "[ . 1 . 2]" 1
1025 1 51 PRO HB2 1 74 VAL MG1 . . 3.910 2.088 1.973 2.265 . 0 0 "[ . 1 . 2]" 1
1026 1 51 PRO HB3 1 52 SER H . . 4.630 4.450 4.314 4.502 . 0 0 "[ . 1 . 2]" 1
1027 1 51 PRO HB3 1 74 VAL MG1 . . 3.380 3.351 3.213 3.385 0.005 2 0 "[ . 1 . 2]" 1
1028 1 51 PRO HD2 1 52 SER H . . 4.200 2.920 2.724 3.021 . 0 0 "[ . 1 . 2]" 1
1029 1 51 PRO HD2 1 77 VAL H . . 4.620 4.011 3.721 4.332 . 0 0 "[ . 1 . 2]" 1
1030 1 51 PRO HD2 1 78 TYR HA . . 4.600 3.776 3.638 4.021 . 0 0 "[ . 1 . 2]" 1
1031 1 51 PRO HD2 1 78 TYR QD . . 4.880 3.402 3.222 3.501 . 0 0 "[ . 1 . 2]" 1
1032 1 51 PRO HD2 1 78 TYR QE . . 4.710 2.979 2.841 3.083 . 0 0 "[ . 1 . 2]" 1
1033 1 51 PRO HD3 1 52 SER H . . 4.170 3.986 3.883 4.039 . 0 0 "[ . 1 . 2]" 1
1034 1 51 PRO HD3 1 76 GLY H . . 5.500 5.155 4.739 5.490 . 0 0 "[ . 1 . 2]" 1
1035 1 51 PRO HD3 1 78 TYR HA . . 4.580 3.920 3.693 4.117 . 0 0 "[ . 1 . 2]" 1
1036 1 51 PRO HD3 1 78 TYR QD . . 4.770 4.238 3.924 4.426 . 0 0 "[ . 1 . 2]" 1
1037 1 51 PRO HD3 1 78 TYR QE . . 4.340 4.196 3.974 4.341 0.001 14 0 "[ . 1 . 2]" 1
1038 1 51 PRO HG2 1 52 SER H . . 3.790 3.174 2.777 3.338 . 0 0 "[ . 1 . 2]" 1
1039 1 51 PRO HG2 1 52 SER HB2 . . 5.240 3.720 3.288 5.092 . 0 0 "[ . 1 . 2]" 1
1040 1 51 PRO HG2 1 52 SER QB . . 4.440 3.416 3.247 3.971 . 0 0 "[ . 1 . 2]" 1
1041 1 51 PRO HG2 1 52 SER HB3 . . 5.240 4.276 3.703 5.111 . 0 0 "[ . 1 . 2]" 1
1042 1 51 PRO HG2 1 74 VAL MG1 . . 3.700 2.713 2.192 3.168 . 0 0 "[ . 1 . 2]" 1
1043 1 51 PRO HG2 1 75 PRO HD2 . . 5.500 5.291 5.054 5.484 . 0 0 "[ . 1 . 2]" 1
1044 1 51 PRO HG2 1 76 GLY HA2 . . 5.500 5.447 5.334 5.502 0.002 2 0 "[ . 1 . 2]" 1
1045 1 51 PRO HG2 1 76 GLY HA3 . . 4.350 3.819 3.726 3.900 . 0 0 "[ . 1 . 2]" 1
1046 1 51 PRO HG2 1 77 VAL H . . 4.960 4.781 4.460 4.961 0.001 18 0 "[ . 1 . 2]" 1
1047 1 51 PRO HG2 1 78 TYR QD . . 4.930 4.811 4.578 4.931 0.001 6 0 "[ . 1 . 2]" 1
1048 1 51 PRO HG2 1 78 TYR QE . . 4.480 3.419 3.086 3.591 . 0 0 "[ . 1 . 2]" 1
1049 1 51 PRO HG2 1 78 TYR HH . . 4.510 2.118 2.005 2.306 . 0 0 "[ . 1 . 2]" 1
1050 1 51 PRO HG3 1 74 VAL MG1 . . 4.170 3.064 2.625 3.407 . 0 0 "[ . 1 . 2]" 1
1051 1 51 PRO HG3 1 76 GLY HA2 . . 4.270 3.820 3.646 3.961 . 0 0 "[ . 1 . 2]" 1
1052 1 51 PRO HG3 1 76 GLY HA3 . . 3.920 2.131 2.009 2.230 . 0 0 "[ . 1 . 2]" 1
1053 1 51 PRO HG3 1 77 VAL H . . 4.580 3.279 2.972 3.521 . 0 0 "[ . 1 . 2]" 1
1054 1 51 PRO HG3 1 78 TYR QE . . 4.750 3.869 3.498 4.193 . 0 0 "[ . 1 . 2]" 1
1055 1 52 SER H 1 52 SER HB2 . . 3.800 3.234 2.816 3.830 0.030 18 0 "[ . 1 . 2]" 1
1056 1 52 SER H 1 52 SER QB . . 3.240 2.880 2.744 3.251 0.011 3 0 "[ . 1 . 2]" 1
1057 1 52 SER H 1 52 SER HB3 . . 3.800 3.330 3.037 3.807 0.007 6 0 "[ . 1 . 2]" 1
1058 1 52 SER H 1 54 VAL MG2 . . 5.020 4.794 4.617 4.970 . 0 0 "[ . 1 . 2]" 1
1059 1 52 SER H 1 74 VAL MG1 . . 5.100 4.781 4.311 5.090 . 0 0 "[ . 1 . 2]" 1
1060 1 52 SER H 1 74 VAL MG2 . . 5.020 4.926 4.610 5.021 0.001 14 0 "[ . 1 . 2]" 1
1061 1 52 SER H 1 78 TYR QE . . 3.250 3.065 2.736 3.248 . 0 0 "[ . 1 . 2]" 1
1062 1 52 SER H 1 78 TYR HH . . 4.270 3.376 2.908 3.762 . 0 0 "[ . 1 . 2]" 1
1063 1 52 SER HA 1 53 LYS H . . 3.350 2.455 2.196 2.618 . 0 0 "[ . 1 . 2]" 1
1064 1 52 SER HA 1 53 LYS QB . . 4.250 4.134 4.080 4.252 0.002 15 0 "[ . 1 . 2]" 1
1065 1 52 SER HA 1 74 VAL MG2 . . 4.670 4.258 3.934 4.537 . 0 0 "[ . 1 . 2]" 1
1066 1 52 SER QB 1 53 LYS H . . 3.890 2.846 2.101 3.622 . 0 0 "[ . 1 . 2]" 1
1067 1 52 SER QB 1 74 VAL H . . 4.190 3.062 2.546 3.638 . 0 0 "[ . 1 . 2]" 1
1068 1 52 SER QB 1 74 VAL HB . . 3.390 2.208 1.985 2.531 . 0 0 "[ . 1 . 2]" 1
1069 1 52 SER QB 1 74 VAL MG1 . . 4.130 3.418 2.980 3.857 . 0 0 "[ . 1 . 2]" 1
1070 1 52 SER HB2 1 53 LYS H . . 4.460 3.694 2.121 4.281 . 0 0 "[ . 1 . 2]" 1
1071 1 52 SER HB2 1 74 VAL H . . 4.780 3.623 2.739 4.433 . 0 0 "[ . 1 . 2]" 1
1072 1 52 SER HB2 1 74 VAL HB . . 3.920 2.396 2.005 3.896 . 0 0 "[ . 1 . 2]" 1
1073 1 52 SER HB2 1 74 VAL MG2 . . 3.370 2.408 2.099 3.288 . 0 0 "[ . 1 . 2]" 1
1074 1 52 SER HB3 1 53 LYS H . . 4.460 3.107 2.129 4.029 . 0 0 "[ . 1 . 2]" 1
1075 1 52 SER HB3 1 74 VAL H . . 4.780 3.451 2.755 4.346 . 0 0 "[ . 1 . 2]" 1
1076 1 52 SER HB3 1 74 VAL HB . . 3.920 3.126 2.451 3.894 . 0 0 "[ . 1 . 2]" 1
1077 1 52 SER HB3 1 74 VAL MG2 . . 3.370 3.003 2.198 3.374 0.004 16 0 "[ . 1 . 2]" 1
1078 1 53 LYS H 1 53 LYS QB . . 3.390 2.280 2.119 2.443 . 0 0 "[ . 1 . 2]" 1
1079 1 53 LYS H 1 53 LYS QG . . 4.550 3.878 2.548 4.118 . 0 0 "[ . 1 . 2]" 1
1080 1 53 LYS HA 1 53 LYS QD . . 4.480 3.454 2.145 4.443 . 0 0 "[ . 1 . 2]" 1
1081 1 53 LYS HA 1 53 LYS HG2 . . 4.190 3.124 2.181 3.768 . 0 0 "[ . 1 . 2]" 1
1082 1 53 LYS HA 1 53 LYS HG3 . . 4.190 2.700 2.269 3.712 . 0 0 "[ . 1 . 2]" 1
1083 1 53 LYS HA 1 54 VAL H . . 2.660 2.183 2.141 2.250 . 0 0 "[ . 1 . 2]" 1
1084 1 53 LYS HA 1 54 VAL MG1 . . 4.460 4.123 4.003 4.326 . 0 0 "[ . 1 . 2]" 1
1085 1 53 LYS HA 1 54 VAL MG2 . . 4.230 3.412 3.279 3.563 . 0 0 "[ . 1 . 2]" 1
1086 1 53 LYS QB 1 53 LYS QE . . 4.550 2.955 2.028 3.774 . 0 0 "[ . 1 . 2]" 1
1087 1 53 LYS QB 1 54 VAL H . . 3.860 3.578 2.957 3.821 . 0 0 "[ . 1 . 2]" 1
1088 1 53 LYS QG 1 54 VAL H . . 3.850 2.706 2.194 3.660 . 0 0 "[ . 1 . 2]" 1
1089 1 53 LYS HG2 1 54 VAL H . . 4.530 3.380 2.596 4.409 . 0 0 "[ . 1 . 2]" 1
1090 1 53 LYS HG3 1 54 VAL H . . 4.530 3.219 2.207 4.528 . 0 0 "[ . 1 . 2]" 1
1091 1 54 VAL H 1 54 VAL HB . . 3.840 3.708 3.624 3.774 . 0 0 "[ . 1 . 2]" 1
1092 1 54 VAL H 1 54 VAL MG1 . . 3.590 3.302 3.142 3.445 . 0 0 "[ . 1 . 2]" 1
1093 1 54 VAL H 1 54 VAL MG2 . . 3.270 1.966 1.883 2.086 . 0 0 "[ . 1 . 2]" 1
1094 1 54 VAL H 1 78 TYR QD . . 5.500 5.401 5.088 5.483 . 0 0 "[ . 1 . 2]" 1
1095 1 54 VAL HA 1 54 VAL MG1 . . 3.350 2.177 2.084 2.262 . 0 0 "[ . 1 . 2]" 1
1096 1 54 VAL HA 1 54 VAL MG2 . . 3.510 3.161 3.146 3.181 . 0 0 "[ . 1 . 2]" 1
1097 1 54 VAL HA 1 55 ASP H . . 3.070 2.158 2.140 2.210 . 0 0 "[ . 1 . 2]" 1
1098 1 54 VAL HA 1 55 ASP QB . . 4.430 4.354 4.049 4.447 0.017 17 0 "[ . 1 . 2]" 1
1099 1 54 VAL HA 1 70 TYR HB2 . . 5.130 4.554 4.295 4.737 . 0 0 "[ . 1 . 2]" 1
1100 1 54 VAL HA 1 71 PHE H . . 4.230 4.070 3.877 4.196 . 0 0 "[ . 1 . 2]" 1
1101 1 54 VAL HB 1 55 ASP H . . 3.850 3.378 2.992 3.679 . 0 0 "[ . 1 . 2]" 1
1102 1 54 VAL HB 1 70 TYR HA . . 5.330 4.005 3.619 4.225 . 0 0 "[ . 1 . 2]" 1
1103 1 54 VAL HB 1 70 TYR HB2 . . 4.510 2.209 2.001 2.394 . 0 0 "[ . 1 . 2]" 1
1104 1 54 VAL HB 1 70 TYR HB3 . . 4.370 3.840 3.599 4.060 . 0 0 "[ . 1 . 2]" 1
1105 1 54 VAL HB 1 70 TYR QD . . 4.220 2.874 2.448 3.259 . 0 0 "[ . 1 . 2]" 1
1106 1 54 VAL HB 1 71 PHE H . . 4.150 3.171 2.960 3.371 . 0 0 "[ . 1 . 2]" 1
1107 1 54 VAL MG1 1 55 ASP H . . 4.140 3.696 3.472 3.909 . 0 0 "[ . 1 . 2]" 1
1108 1 54 VAL MG1 1 70 TYR HA . . 5.500 4.870 4.175 5.230 . 0 0 "[ . 1 . 2]" 1
1109 1 54 VAL MG1 1 70 TYR HB2 . . 3.700 3.461 2.958 3.700 0.000 11 0 "[ . 1 . 2]" 1
1110 1 54 VAL MG1 1 70 TYR HB3 . . 5.080 4.862 4.415 5.081 0.001 19 0 "[ . 1 . 2]" 1
1111 1 54 VAL MG1 1 70 TYR QD . . 3.500 2.527 2.090 2.793 . 0 0 "[ . 1 . 2]" 1
1112 1 54 VAL MG1 1 70 TYR QE . . 4.420 3.606 3.197 3.966 . 0 0 "[ . 1 . 2]" 1
1113 1 54 VAL MG1 1 71 PHE H . . 4.070 3.436 2.772 3.939 . 0 0 "[ . 1 . 2]" 1
1114 1 54 VAL MG1 1 71 PHE HA . . 5.500 4.273 3.791 4.625 . 0 0 "[ . 1 . 2]" 1
1115 1 54 VAL MG1 1 72 PRO HA . . 3.500 1.859 1.779 2.039 . 0 0 "[ . 1 . 2]" 1
1116 1 54 VAL MG1 1 72 PRO QB . . 3.760 2.754 2.455 2.962 . 0 0 "[ . 1 . 2]" 1
1117 1 54 VAL MG1 1 78 TYR QD . . 4.130 3.588 3.242 3.787 . 0 0 "[ . 1 . 2]" 1
1118 1 54 VAL MG1 1 78 TYR QE . . 3.580 2.409 1.978 2.835 . 0 0 "[ . 1 . 2]" 1
1119 1 54 VAL MG2 1 70 TYR HA . . 5.190 5.002 4.760 5.160 . 0 0 "[ . 1 . 2]" 1
1120 1 54 VAL MG2 1 70 TYR HB2 . . 3.730 3.094 2.859 3.239 . 0 0 "[ . 1 . 2]" 1
1121 1 54 VAL MG2 1 70 TYR HB3 . . 4.300 4.004 3.847 4.218 . 0 0 "[ . 1 . 2]" 1
1122 1 54 VAL MG2 1 70 TYR QD . . 3.870 3.451 3.167 3.708 . 0 0 "[ . 1 . 2]" 1
1123 1 54 VAL MG2 1 71 PHE H . . 4.830 4.667 4.468 4.824 . 0 0 "[ . 1 . 2]" 1
1124 1 54 VAL MG2 1 72 PRO QB . . 4.730 4.462 4.309 4.573 . 0 0 "[ . 1 . 2]" 1
1125 1 54 VAL MG2 1 78 TYR QD . . 4.150 2.734 2.475 3.007 . 0 0 "[ . 1 . 2]" 1
1126 1 54 VAL MG2 1 78 TYR QE . . 3.720 2.494 2.102 2.846 . 0 0 "[ . 1 . 2]" 1
1127 1 55 ASP H 1 55 ASP HB2 . . 3.750 2.553 2.183 3.612 . 0 0 "[ . 1 . 2]" 1
1128 1 55 ASP H 1 55 ASP QB . . 3.220 2.418 2.130 2.693 . 0 0 "[ . 1 . 2]" 1
1129 1 55 ASP H 1 55 ASP HB3 . . 3.750 3.441 2.629 3.618 . 0 0 "[ . 1 . 2]" 1
1130 1 55 ASP QB 1 56 ILE H . . 3.720 3.083 2.621 3.559 . 0 0 "[ . 1 . 2]" 1
1131 1 55 ASP QB 1 56 ILE HG12 . . 5.340 5.211 4.976 5.342 0.002 11 0 "[ . 1 . 2]" 1
1132 1 55 ASP HB2 1 56 ILE H . . 4.390 4.038 2.699 4.415 0.025 17 0 "[ . 1 . 2]" 1
1133 1 55 ASP HB3 1 56 ILE H . . 4.390 3.292 2.664 4.316 . 0 0 "[ . 1 . 2]" 1
1134 1 56 ILE H 1 56 ILE HB . . 3.170 2.667 2.456 2.833 . 0 0 "[ . 1 . 2]" 1
1135 1 56 ILE H 1 56 ILE MD . . 5.150 4.061 3.531 4.364 . 0 0 "[ . 1 . 2]" 1
1136 1 56 ILE H 1 56 ILE HG12 . . 4.050 3.255 2.188 4.044 . 0 0 "[ . 1 . 2]" 1
1137 1 56 ILE H 1 56 ILE HG13 . . 3.570 3.200 2.827 3.587 0.017 17 0 "[ . 1 . 2]" 1
1138 1 56 ILE H 1 56 ILE MG . . 3.960 3.849 3.765 3.931 . 0 0 "[ . 1 . 2]" 1
1139 1 56 ILE H 1 57 GLN H . . 4.450 4.240 4.038 4.458 0.008 17 0 "[ . 1 . 2]" 1
1140 1 56 ILE HA 1 56 ILE MD . . 4.680 3.158 2.021 3.837 . 0 0 "[ . 1 . 2]" 1
1141 1 56 ILE HA 1 56 ILE HG12 . . 4.050 2.606 2.409 2.948 . 0 0 "[ . 1 . 2]" 1
1142 1 56 ILE HA 1 56 ILE HG13 . . 4.120 3.420 3.044 3.826 . 0 0 "[ . 1 . 2]" 1
1143 1 56 ILE HA 1 56 ILE MG . . 3.290 2.383 2.246 2.446 . 0 0 "[ . 1 . 2]" 1
1144 1 56 ILE HA 1 57 GLN H . . 2.800 2.144 2.140 2.154 . 0 0 "[ . 1 . 2]" 1
1145 1 56 ILE HA 1 57 GLN QG . . 4.780 4.256 4.066 4.780 0.000 10 0 "[ . 1 . 2]" 1
1146 1 56 ILE HA 1 70 TYR HA . . 3.940 3.238 3.024 3.482 . 0 0 "[ . 1 . 2]" 1
1147 1 56 ILE HA 1 70 TYR HB2 . . 5.360 3.931 3.792 4.092 . 0 0 "[ . 1 . 2]" 1
1148 1 56 ILE HA 1 70 TYR HB3 . . 4.470 3.222 3.094 3.306 . 0 0 "[ . 1 . 2]" 1
1149 1 56 ILE HB 1 57 GLN H . . 4.450 4.299 4.202 4.375 . 0 0 "[ . 1 . 2]" 1
1150 1 56 ILE HB 1 68 VAL MG1 . . 4.710 4.413 4.117 4.705 . 0 0 "[ . 1 . 2]" 1
1151 1 56 ILE MD 1 57 GLN H . . 5.360 4.634 3.628 5.286 . 0 0 "[ . 1 . 2]" 1
1152 1 56 ILE MD 1 70 TYR HB2 . . 4.600 3.978 2.793 4.606 0.006 19 0 "[ . 1 . 2]" 1
1153 1 56 ILE MD 1 70 TYR HB3 . . 4.330 3.382 2.122 4.192 . 0 0 "[ . 1 . 2]" 1
1154 1 56 ILE HG12 1 57 GLN H . . 5.230 4.664 4.382 5.015 . 0 0 "[ . 1 . 2]" 1
1155 1 56 ILE HG12 1 70 TYR HB2 . . 4.360 3.782 3.387 4.363 0.003 17 0 "[ . 1 . 2]" 1
1156 1 56 ILE HG12 1 70 TYR HB3 . . 4.630 3.434 2.721 4.431 . 0 0 "[ . 1 . 2]" 1
1157 1 56 ILE HG13 1 68 VAL MG1 . . 5.500 4.757 4.255 5.047 . 0 0 "[ . 1 . 2]" 1
1158 1 56 ILE MG 1 57 GLN H . . 3.220 2.802 2.568 3.028 . 0 0 "[ . 1 . 2]" 1
1159 1 56 ILE MG 1 57 GLN QG . . 4.990 4.760 4.610 4.980 . 0 0 "[ . 1 . 2]" 1
1160 1 56 ILE MG 1 58 THR H . . 4.620 4.168 3.923 4.340 . 0 0 "[ . 1 . 2]" 1
1161 1 56 ILE MG 1 68 VAL HA . . 4.780 3.745 3.501 4.063 . 0 0 "[ . 1 . 2]" 1
1162 1 56 ILE MG 1 68 VAL MG1 . . 3.000 1.941 1.723 2.131 . 0 0 "[ . 1 . 2]" 1
1163 1 56 ILE MG 1 69 SER H . . 4.220 3.233 2.927 3.634 . 0 0 "[ . 1 . 2]" 1
1164 1 56 ILE MG 1 70 TYR HB2 . . 5.260 4.902 4.711 5.259 . 0 0 "[ . 1 . 2]" 1
1165 1 56 ILE MG 1 70 TYR HB3 . . 4.280 3.795 3.530 4.152 . 0 0 "[ . 1 . 2]" 1
1166 1 57 GLN H 1 57 GLN HB2 . . 3.500 2.435 2.346 2.511 . 0 0 "[ . 1 . 2]" 1
1167 1 57 GLN H 1 57 GLN HB3 . . 3.800 3.646 3.563 3.698 . 0 0 "[ . 1 . 2]" 1
1168 1 57 GLN H 1 57 GLN QG . . 3.700 3.109 2.834 3.522 . 0 0 "[ . 1 . 2]" 1
1169 1 57 GLN H 1 58 THR H . . 4.470 4.380 4.299 4.455 . 0 0 "[ . 1 . 2]" 1
1170 1 57 GLN H 1 58 THR MG . . 4.780 4.231 4.017 4.456 . 0 0 "[ . 1 . 2]" 1
1171 1 57 GLN H 1 68 VAL HA . . 4.640 4.497 4.283 4.651 0.011 19 0 "[ . 1 . 2]" 1
1172 1 57 GLN H 1 68 VAL MG1 . . 4.180 3.508 3.245 3.702 . 0 0 "[ . 1 . 2]" 1
1173 1 57 GLN H 1 69 SER H . . 3.610 2.701 2.514 2.880 . 0 0 "[ . 1 . 2]" 1
1174 1 57 GLN H 1 69 SER HB2 . . 4.810 3.250 3.047 3.690 . 0 0 "[ . 1 . 2]" 1
1175 1 57 GLN H 1 70 TYR HA . . 4.010 3.845 3.669 3.985 . 0 0 "[ . 1 . 2]" 1
1176 1 57 GLN H 1 70 TYR HB2 . . 5.500 5.399 5.126 5.504 0.004 2 0 "[ . 1 . 2]" 1
1177 1 57 GLN HB2 1 57 GLN HE22 . . 5.460 4.105 3.619 4.678 . 0 0 "[ . 1 . 2]" 1
1178 1 57 GLN HB2 1 58 THR H . . 4.450 4.332 4.211 4.408 . 0 0 "[ . 1 . 2]" 1
1179 1 57 GLN HB2 1 69 SER H . . 4.350 3.685 3.417 3.928 . 0 0 "[ . 1 . 2]" 1
1180 1 57 GLN HB2 1 69 SER HB2 . . 3.790 2.266 2.055 2.843 . 0 0 "[ . 1 . 2]" 1
1181 1 57 GLN HB3 1 58 THR H . . 3.440 3.362 3.204 3.436 . 0 0 "[ . 1 . 2]" 1
1182 1 57 GLN HB3 1 69 SER HB2 . . 4.330 3.601 3.109 4.338 0.008 19 0 "[ . 1 . 2]" 1
1183 1 57 GLN HB3 1 69 SER HB3 . . 5.290 5.178 4.784 5.293 0.003 18 0 "[ . 1 . 2]" 1
1184 1 57 GLN QG 1 58 THR H . . 4.070 3.938 3.718 4.064 . 0 0 "[ . 1 . 2]" 1
1185 1 57 GLN QG 1 69 SER HB2 . . 4.510 4.183 3.901 4.441 . 0 0 "[ . 1 . 2]" 1
1186 1 57 GLN QG 1 69 SER HB3 . . 5.500 5.433 5.249 5.529 0.029 19 0 "[ . 1 . 2]" 1
1187 1 58 THR H 1 58 THR HB . . 4.030 3.751 3.702 3.783 . 0 0 "[ . 1 . 2]" 1
1188 1 58 THR H 1 58 THR MG . . 3.500 2.984 2.654 3.171 . 0 0 "[ . 1 . 2]" 1
1189 1 58 THR H 1 59 GLU H . . 4.610 4.497 4.454 4.520 . 0 0 "[ . 1 . 2]" 1
1190 1 58 THR HA 1 58 THR MG . . 3.240 2.237 2.137 2.455 . 0 0 "[ . 1 . 2]" 1
1191 1 58 THR HA 1 59 GLU H . . 2.800 2.336 2.293 2.415 . 0 0 "[ . 1 . 2]" 1
1192 1 58 THR HA 1 59 GLU QB . . 4.490 3.914 3.880 3.929 . 0 0 "[ . 1 . 2]" 1
1193 1 58 THR HA 1 68 VAL HA . . 3.580 2.887 2.677 3.044 . 0 0 "[ . 1 . 2]" 1
1194 1 58 THR HA 1 68 VAL MG1 . . 4.560 4.216 3.912 4.464 . 0 0 "[ . 1 . 2]" 1
1195 1 58 THR HA 1 68 VAL MG2 . . 3.970 3.889 3.765 3.975 0.005 19 0 "[ . 1 . 2]" 1
1196 1 58 THR HA 1 69 SER H . . 4.110 3.984 3.777 4.107 . 0 0 "[ . 1 . 2]" 1
1197 1 58 THR HB 1 59 GLU H . . 3.320 2.563 2.398 2.686 . 0 0 "[ . 1 . 2]" 1
1198 1 58 THR HB 1 59 GLU HA . . 4.780 4.170 4.070 4.340 . 0 0 "[ . 1 . 2]" 1
1199 1 58 THR HB 1 59 GLU QB . . 4.790 4.785 4.763 4.799 0.009 6 0 "[ . 1 . 2]" 1
1200 1 58 THR HB 1 68 VAL MG2 . . 4.490 4.114 3.799 4.484 . 0 0 "[ . 1 . 2]" 1
1201 1 58 THR MG 1 59 GLU H . . 3.800 3.662 3.528 3.791 . 0 0 "[ . 1 . 2]" 1
1202 1 58 THR MG 1 68 VAL HA . . 3.710 2.571 2.207 3.103 . 0 0 "[ . 1 . 2]" 1
1203 1 58 THR MG 1 68 VAL MG2 . . 2.980 2.347 1.971 2.757 . 0 0 "[ . 1 . 2]" 1
1204 1 58 THR MG 1 69 SER H . . 4.090 3.638 3.367 3.976 . 0 0 "[ . 1 . 2]" 1
1205 1 59 GLU H 1 59 GLU HB2 . . 3.860 3.492 3.362 3.580 . 0 0 "[ . 1 . 2]" 1
1206 1 59 GLU H 1 59 GLU QB . . 3.250 2.807 2.759 2.832 . 0 0 "[ . 1 . 2]" 1
1207 1 59 GLU H 1 59 GLU HB3 . . 3.860 2.960 2.889 3.030 . 0 0 "[ . 1 . 2]" 1
1208 1 59 GLU H 1 67 LYS H . . 3.600 3.105 2.763 3.480 . 0 0 "[ . 1 . 2]" 1
1209 1 59 GLU H 1 68 VAL HA . . 4.870 4.596 4.434 4.761 . 0 0 "[ . 1 . 2]" 1
1210 1 59 GLU H 1 68 VAL MG2 . . 5.060 4.854 4.734 4.966 . 0 0 "[ . 1 . 2]" 1
1211 1 59 GLU HA 1 60 ASP H . . 2.890 2.217 2.139 2.382 . 0 0 "[ . 1 . 2]" 1
1212 1 59 GLU HA 1 60 ASP HB2 . . 4.880 4.815 4.688 4.880 . 0 0 "[ . 1 . 2]" 1
1213 1 59 GLU HA 1 60 ASP HB3 . . 4.490 4.361 4.275 4.440 . 0 0 "[ . 1 . 2]" 1
1214 1 59 GLU QB 1 60 ASP H . . 4.090 3.598 3.303 3.818 . 0 0 "[ . 1 . 2]" 1
1215 1 59 GLU QB 1 61 LEU MD2 . . 4.120 3.786 3.429 4.037 . 0 0 "[ . 1 . 2]" 1
1216 1 59 GLU QG 1 61 LEU MD2 . . 3.420 3.159 2.655 3.374 . 0 0 "[ . 1 . 2]" 1
1217 1 59 GLU QG 1 67 LYS H . . 5.340 5.110 4.896 5.322 . 0 0 "[ . 1 . 2]" 1
1218 1 59 GLU HG2 1 60 ASP H . . 4.220 3.344 2.313 4.205 . 0 0 "[ . 1 . 2]" 1
1219 1 59 GLU HG3 1 60 ASP H . . 4.220 2.668 1.921 3.969 . 0 0 "[ . 1 . 2]" 1
1220 1 60 ASP H 1 60 ASP HB2 . . 3.640 3.014 2.855 3.315 . 0 0 "[ . 1 . 2]" 1
1221 1 60 ASP H 1 60 ASP HB3 . . 3.320 2.253 2.204 2.343 . 0 0 "[ . 1 . 2]" 1
1222 1 60 ASP HB2 1 61 LEU H . . 4.450 4.096 3.995 4.324 . 0 0 "[ . 1 . 2]" 1
1223 1 60 ASP HB2 1 66 CYS HA . . 5.500 5.255 4.849 5.501 0.001 3 0 "[ . 1 . 2]" 1
1224 1 61 LEU H 1 61 LEU HB2 . . 3.390 2.409 2.333 2.523 . 0 0 "[ . 1 . 2]" 1
1225 1 61 LEU H 1 61 LEU HB3 . . 3.660 3.611 3.578 3.640 . 0 0 "[ . 1 . 2]" 1
1226 1 61 LEU H 1 61 LEU MD1 . . 3.900 3.766 3.497 3.896 . 0 0 "[ . 1 . 2]" 1
1227 1 61 LEU H 1 61 LEU MD2 . . 3.780 3.601 3.294 3.768 . 0 0 "[ . 1 . 2]" 1
1228 1 61 LEU H 1 61 LEU HG . . 3.230 2.634 2.337 2.866 . 0 0 "[ . 1 . 2]" 1
1229 1 61 LEU H 1 62 GLU H . . 4.590 4.514 4.473 4.570 . 0 0 "[ . 1 . 2]" 1
1230 1 61 LEU H 1 64 GLY H . . 4.690 4.032 3.783 4.336 . 0 0 "[ . 1 . 2]" 1
1231 1 61 LEU H 1 65 THR H . . 4.450 3.516 3.040 4.220 . 0 0 "[ . 1 . 2]" 1
1232 1 61 LEU H 1 66 CYS HA . . 3.970 3.668 3.071 3.946 . 0 0 "[ . 1 . 2]" 1
1233 1 61 LEU H 1 67 LYS H . . 4.710 4.501 4.140 4.649 . 0 0 "[ . 1 . 2]" 1
1234 1 61 LEU HA 1 61 LEU MD1 . . 4.220 3.861 3.795 3.941 . 0 0 "[ . 1 . 2]" 1
1235 1 61 LEU HA 1 61 LEU MD2 . . 2.950 2.122 2.015 2.221 . 0 0 "[ . 1 . 2]" 1
1236 1 61 LEU HA 1 62 GLU H . . 3.240 2.578 2.491 2.634 . 0 0 "[ . 1 . 2]" 1
1237 1 61 LEU HA 1 62 GLU QB . . 4.630 4.482 4.361 4.626 . 0 0 "[ . 1 . 2]" 1
1238 1 61 LEU HA 1 63 ASP H . . 4.710 4.358 3.977 4.589 . 0 0 "[ . 1 . 2]" 1
1239 1 61 LEU HB2 1 61 LEU MD1 . . 3.250 2.278 2.082 2.456 . 0 0 "[ . 1 . 2]" 1
1240 1 61 LEU HB2 1 62 GLU H . . 4.850 3.326 3.128 3.493 . 0 0 "[ . 1 . 2]" 1
1241 1 61 LEU HB2 1 63 ASP H . . 4.560 3.120 2.636 3.417 . 0 0 "[ . 1 . 2]" 1
1242 1 61 LEU HB2 1 64 GLY H . . 4.450 3.193 2.685 3.759 . 0 0 "[ . 1 . 2]" 1
1243 1 61 LEU HB2 1 65 THR H . . 3.800 2.652 2.361 2.872 . 0 0 "[ . 1 . 2]" 1
1244 1 61 LEU HB2 1 67 LYS H . . 5.500 5.245 4.861 5.470 . 0 0 "[ . 1 . 2]" 1
1245 1 61 LEU HB3 1 61 LEU MD1 . . 3.300 2.393 2.226 2.547 . 0 0 "[ . 1 . 2]" 1
1246 1 61 LEU HB3 1 61 LEU MD2 . . 3.170 2.312 2.253 2.427 . 0 0 "[ . 1 . 2]" 1
1247 1 61 LEU HB3 1 62 GLU H . . 3.790 2.058 1.948 2.231 . 0 0 "[ . 1 . 2]" 1
1248 1 61 LEU HB3 1 63 ASP H . . 3.880 2.669 2.494 2.811 . 0 0 "[ . 1 . 2]" 1
1249 1 61 LEU HB3 1 64 GLY H . . 4.530 3.938 3.684 4.508 . 0 0 "[ . 1 . 2]" 1
1250 1 61 LEU HB3 1 65 THR H . . 4.570 4.140 3.851 4.417 . 0 0 "[ . 1 . 2]" 1
1251 1 61 LEU MD1 1 62 GLU H . . 4.640 4.089 3.887 4.303 . 0 0 "[ . 1 . 2]" 1
1252 1 61 LEU MD1 1 63 ASP H . . 4.710 4.002 3.746 4.091 . 0 0 "[ . 1 . 2]" 1
1253 1 61 LEU MD1 1 65 THR H . . 4.490 3.775 3.406 4.142 . 0 0 "[ . 1 . 2]" 1
1254 1 61 LEU MD1 1 65 THR HB . . 4.820 3.968 2.876 4.352 . 0 0 "[ . 1 . 2]" 1
1255 1 61 LEU MD1 1 66 CYS HA . . 4.620 4.275 3.357 4.615 . 0 0 "[ . 1 . 2]" 1
1256 1 61 LEU MD1 1 67 LYS H . . 4.260 3.680 3.226 4.098 . 0 0 "[ . 1 . 2]" 1
1257 1 61 LEU MD1 1 67 LYS HB2 . . 3.780 2.245 1.992 2.525 . 0 0 "[ . 1 . 2]" 1
1258 1 61 LEU MD1 1 67 LYS QB . . 3.240 2.211 1.972 2.472 . 0 0 "[ . 1 . 2]" 1
1259 1 61 LEU MD1 1 67 LYS HB3 . . 3.780 3.355 3.013 3.607 . 0 0 "[ . 1 . 2]" 1
1260 1 61 LEU MD1 1 67 LYS QD . . 4.010 2.972 2.174 3.972 . 0 0 "[ . 1 . 2]" 1
1261 1 61 LEU MD1 1 67 LYS QE . . 4.080 3.238 2.297 3.927 . 0 0 "[ . 1 . 2]" 1
1262 1 61 LEU MD1 1 67 LYS QG . . 4.070 3.870 3.567 4.025 . 0 0 "[ . 1 . 2]" 1
1263 1 61 LEU MD2 1 62 GLU H . . 4.260 3.208 2.975 3.488 . 0 0 "[ . 1 . 2]" 1
1264 1 61 LEU MD2 1 62 GLU QG . . 4.780 4.394 3.821 4.763 . 0 0 "[ . 1 . 2]" 1
1265 1 61 LEU MD2 1 67 LYS H . . 4.710 4.351 3.158 4.671 . 0 0 "[ . 1 . 2]" 1
1266 1 61 LEU MD2 1 67 LYS QB . . 4.070 3.136 2.194 3.458 . 0 0 "[ . 1 . 2]" 1
1267 1 61 LEU MD2 1 67 LYS QD . . 3.730 3.380 2.566 3.716 . 0 0 "[ . 1 . 2]" 1
1268 1 61 LEU MD2 1 67 LYS QE . . 3.760 3.054 2.356 3.652 . 0 0 "[ . 1 . 2]" 1
1269 1 61 LEU HG 1 62 GLU H . . 5.110 4.701 4.621 4.829 . 0 0 "[ . 1 . 2]" 1
1270 1 61 LEU HG 1 65 THR H . . 4.810 4.640 4.377 4.809 . 0 0 "[ . 1 . 2]" 1
1271 1 61 LEU HG 1 66 CYS HA . . 4.250 3.881 2.552 4.230 . 0 0 "[ . 1 . 2]" 1
1272 1 61 LEU HG 1 67 LYS H . . 4.340 3.398 2.839 3.677 . 0 0 "[ . 1 . 2]" 1
1273 1 62 GLU H 1 62 GLU QB . . 3.300 2.436 2.188 2.679 . 0 0 "[ . 1 . 2]" 1
1274 1 62 GLU H 1 62 GLU QG . . 4.060 2.405 1.987 2.839 . 0 0 "[ . 1 . 2]" 1
1275 1 62 GLU H 1 63 ASP H . . 3.940 2.430 2.297 2.591 . 0 0 "[ . 1 . 2]" 1
1276 1 62 GLU HA 1 62 GLU QG . . 3.590 3.022 2.227 3.450 . 0 0 "[ . 1 . 2]" 1
1277 1 62 GLU HA 1 64 GLY H . . 4.180 3.705 3.418 3.990 . 0 0 "[ . 1 . 2]" 1
1278 1 62 GLU QB 1 63 ASP H . . 3.850 3.275 2.672 3.778 . 0 0 "[ . 1 . 2]" 1
1279 1 62 GLU QB 1 63 ASP HA . . 4.860 4.238 3.846 4.593 . 0 0 "[ . 1 . 2]" 1
1280 1 62 GLU QG 1 63 ASP H . . 4.840 3.145 2.079 4.389 . 0 0 "[ . 1 . 2]" 1
1281 1 63 ASP H 1 63 ASP HB2 . . 4.130 2.701 2.247 3.597 . 0 0 "[ . 1 . 2]" 1
1282 1 63 ASP H 1 63 ASP QB . . 3.520 2.476 2.183 2.741 . 0 0 "[ . 1 . 2]" 1
1283 1 63 ASP H 1 63 ASP HB3 . . 4.130 3.310 2.425 3.666 . 0 0 "[ . 1 . 2]" 1
1284 1 63 ASP H 1 64 GLY H . . 3.290 2.532 2.369 2.645 . 0 0 "[ . 1 . 2]" 1
1285 1 63 ASP H 1 64 GLY QA . . 4.980 4.461 4.274 4.552 . 0 0 "[ . 1 . 2]" 1
1286 1 63 ASP H 1 65 THR H . . 4.110 3.773 3.258 4.019 . 0 0 "[ . 1 . 2]" 1
1287 1 64 GLY H 1 65 THR H . . 3.200 2.288 2.147 2.654 . 0 0 "[ . 1 . 2]" 1
1288 1 65 THR H 1 65 THR MG . . 3.340 2.683 2.317 3.002 . 0 0 "[ . 1 . 2]" 1
1289 1 65 THR H 1 66 CYS H . . 4.740 4.506 4.454 4.569 . 0 0 "[ . 1 . 2]" 1
1290 1 65 THR HB 1 66 CYS H . . 3.010 2.274 2.111 2.509 . 0 0 "[ . 1 . 2]" 1
1291 1 65 THR MG 1 66 CYS H . . 3.850 3.687 3.401 3.851 0.001 20 0 "[ . 1 . 2]" 1
1292 1 66 CYS H 1 66 CYS HB2 . . 3.680 2.593 2.327 3.037 . 0 0 "[ . 1 . 2]" 1
1293 1 66 CYS H 1 66 CYS QB . . 3.160 2.413 2.297 2.528 . 0 0 "[ . 1 . 2]" 1
1294 1 66 CYS H 1 66 CYS HB3 . . 3.680 3.272 2.572 3.644 . 0 0 "[ . 1 . 2]" 1
1295 1 66 CYS H 1 67 LYS H . . 4.600 4.311 4.152 4.431 . 0 0 "[ . 1 . 2]" 1
1296 1 66 CYS HA 1 67 LYS H . . 2.860 2.148 2.138 2.184 . 0 0 "[ . 1 . 2]" 1
1297 1 66 CYS HA 1 67 LYS QB . . 4.670 4.066 4.013 4.125 . 0 0 "[ . 1 . 2]" 1
1298 1 66 CYS QB 1 67 LYS H . . 3.930 3.501 3.076 3.935 0.005 16 0 "[ . 1 . 2]" 1
1299 1 66 CYS QB 1 68 VAL MG2 . . 4.540 3.376 2.968 3.680 . 0 0 "[ . 1 . 2]" 1
1300 1 66 CYS HB2 1 67 LYS H . . 4.600 4.403 4.269 4.535 . 0 0 "[ . 1 . 2]" 1
1301 1 66 CYS HB3 1 67 LYS H . . 4.600 3.717 3.155 4.387 . 0 0 "[ . 1 . 2]" 1
1302 1 67 LYS H 1 67 LYS HB2 . . 3.580 2.828 2.618 3.038 . 0 0 "[ . 1 . 2]" 1
1303 1 67 LYS H 1 67 LYS QB . . 3.090 2.356 2.254 2.435 . 0 0 "[ . 1 . 2]" 1
1304 1 67 LYS H 1 67 LYS HB3 . . 3.580 2.539 2.353 2.690 . 0 0 "[ . 1 . 2]" 1
1305 1 67 LYS H 1 67 LYS QD . . 4.960 4.666 4.296 4.910 . 0 0 "[ . 1 . 2]" 1
1306 1 67 LYS H 1 67 LYS QE . . 5.280 4.698 4.290 5.146 . 0 0 "[ . 1 . 2]" 1
1307 1 67 LYS H 1 67 LYS QG . . 4.450 4.013 3.931 4.061 . 0 0 "[ . 1 . 2]" 1
1308 1 67 LYS H 1 68 VAL MG2 . . 4.930 4.589 4.465 4.709 . 0 0 "[ . 1 . 2]" 1
1309 1 67 LYS QB 1 67 LYS QD . . 3.400 2.170 2.048 2.290 . 0 0 "[ . 1 . 2]" 1
1310 1 67 LYS QB 1 67 LYS QE . . 3.810 2.237 1.978 2.601 . 0 0 "[ . 1 . 2]" 1
1311 1 67 LYS QE 1 67 LYS HG2 . . 3.630 2.612 2.157 3.444 . 0 0 "[ . 1 . 2]" 1
1312 1 67 LYS QE 1 67 LYS HG3 . . 3.630 3.016 2.211 3.439 . 0 0 "[ . 1 . 2]" 1
1313 1 67 LYS QG 1 68 VAL H . . 3.680 3.302 2.966 3.538 . 0 0 "[ . 1 . 2]" 1
1314 1 67 LYS HG2 1 68 VAL H . . 4.410 3.765 3.162 4.009 . 0 0 "[ . 1 . 2]" 1
1315 1 67 LYS HG3 1 68 VAL H . . 4.410 3.695 3.456 4.301 . 0 0 "[ . 1 . 2]" 1
1316 1 68 VAL H 1 68 VAL HB . . 3.430 2.587 2.475 2.665 . 0 0 "[ . 1 . 2]" 1
1317 1 68 VAL H 1 68 VAL MG2 . . 3.340 2.219 2.041 2.453 . 0 0 "[ . 1 . 2]" 1
1318 1 68 VAL HA 1 68 VAL MG1 . . 3.390 2.283 2.180 2.385 . 0 0 "[ . 1 . 2]" 1
1319 1 68 VAL HA 1 68 VAL MG2 . . 3.440 2.396 2.275 2.497 . 0 0 "[ . 1 . 2]" 1
1320 1 68 VAL HA 1 69 SER H . . 2.810 2.225 2.143 2.259 . 0 0 "[ . 1 . 2]" 1
1321 1 68 VAL HB 1 69 SER H . . 4.550 3.884 3.764 4.161 . 0 0 "[ . 1 . 2]" 1
1322 1 68 VAL MG1 1 69 SER H . . 3.200 2.159 1.911 2.752 . 0 0 "[ . 1 . 2]" 1
1323 1 68 VAL MG1 1 69 SER HA . . 4.470 3.588 3.329 3.817 . 0 0 "[ . 1 . 2]" 1
1324 1 68 VAL MG1 1 70 TYR H . . 4.590 4.291 3.957 4.569 . 0 0 "[ . 1 . 2]" 1
1325 1 68 VAL MG1 1 70 TYR HB3 . . 4.870 3.453 3.299 3.607 . 0 0 "[ . 1 . 2]" 1
1326 1 68 VAL MG1 1 70 TYR QD . . 3.610 3.234 2.868 3.592 . 0 0 "[ . 1 . 2]" 1
1327 1 68 VAL MG1 1 70 TYR QE . . 5.500 4.849 4.387 5.172 . 0 0 "[ . 1 . 2]" 1
1328 1 68 VAL MG2 1 82 THR MG . . 4.700 4.117 3.832 4.525 . 0 0 "[ . 1 . 2]" 1
1329 1 69 SER H 1 69 SER HB2 . . 3.600 2.915 2.658 3.637 0.037 19 0 "[ . 1 . 2]" 1
1330 1 69 SER H 1 69 SER HB3 . . 3.960 3.872 3.607 3.930 . 0 0 "[ . 1 . 2]" 1
1331 1 69 SER HA 1 70 TYR H . . 2.840 2.170 2.145 2.204 . 0 0 "[ . 1 . 2]" 1
1332 1 69 SER HA 1 70 TYR QD . . 4.560 3.724 3.469 4.157 . 0 0 "[ . 1 . 2]" 1
1333 1 69 SER HB2 1 70 TYR H . . 4.260 3.987 3.129 4.158 . 0 0 "[ . 1 . 2]" 1
1334 1 69 SER HB3 1 70 TYR H . . 3.710 3.235 3.029 3.712 0.002 19 0 "[ . 1 . 2]" 1
1335 1 70 TYR H 1 70 TYR QD . . 3.630 2.912 2.594 3.197 . 0 0 "[ . 1 . 2]" 1
1336 1 70 TYR H 1 70 TYR QE . . 4.670 4.447 4.251 4.633 . 0 0 "[ . 1 . 2]" 1
1337 1 70 TYR H 1 71 PHE H . . 4.590 4.385 4.344 4.432 . 0 0 "[ . 1 . 2]" 1
1338 1 70 TYR HA 1 70 TYR QD . . 4.420 3.715 3.650 3.738 . 0 0 "[ . 1 . 2]" 1
1339 1 70 TYR HA 1 71 PHE H . . 2.960 2.299 2.217 2.391 . 0 0 "[ . 1 . 2]" 1
1340 1 70 TYR HA 1 71 PHE QB . . 4.670 3.937 3.898 3.963 . 0 0 "[ . 1 . 2]" 1
1341 1 70 TYR HB2 1 71 PHE H . . 3.610 2.750 2.523 3.005 . 0 0 "[ . 1 . 2]" 1
1342 1 70 TYR HB3 1 71 PHE H . . 4.550 4.026 3.893 4.180 . 0 0 "[ . 1 . 2]" 1
1343 1 70 TYR QD 1 71 PHE H . . 4.220 3.233 2.951 3.453 . 0 0 "[ . 1 . 2]" 1
1344 1 70 TYR QD 1 71 PHE HA . . 4.670 3.577 3.333 3.795 . 0 0 "[ . 1 . 2]" 1
1345 1 70 TYR QD 1 72 PRO HA . . 4.600 3.548 3.436 3.736 . 0 0 "[ . 1 . 2]" 1
1346 1 70 TYR QD 1 72 PRO QB . . 4.340 3.312 3.243 3.413 . 0 0 "[ . 1 . 2]" 1
1347 1 70 TYR QD 1 72 PRO HD2 . . 4.190 3.733 3.569 3.875 . 0 0 "[ . 1 . 2]" 1
1348 1 70 TYR QD 1 72 PRO QD . . 3.510 2.132 1.989 2.254 . 0 0 "[ . 1 . 2]" 1
1349 1 70 TYR QD 1 72 PRO HD3 . . 4.190 2.144 1.999 2.269 . 0 0 "[ . 1 . 2]" 1
1350 1 70 TYR QD 1 72 PRO HG2 . . 5.500 4.780 4.683 4.866 . 0 0 "[ . 1 . 2]" 1
1351 1 70 TYR QD 1 72 PRO HG3 . . 4.460 3.893 3.737 4.041 . 0 0 "[ . 1 . 2]" 1
1352 1 70 TYR QE 1 70 TYR HH . . 3.040 2.527 2.198 2.638 . 0 0 "[ . 1 . 2]" 1
1353 1 70 TYR QE 1 72 PRO QB . . 4.070 2.439 2.179 2.806 . 0 0 "[ . 1 . 2]" 1
1354 1 70 TYR QE 1 72 PRO QD . . 3.920 2.244 2.035 2.450 . 0 0 "[ . 1 . 2]" 1
1355 1 70 TYR QE 1 72 PRO HG2 . . 4.430 3.893 3.743 4.135 . 0 0 "[ . 1 . 2]" 1
1356 1 70 TYR QE 1 72 PRO HG3 . . 4.080 2.322 2.178 2.497 . 0 0 "[ . 1 . 2]" 1
1357 1 70 TYR QE 1 80 VAL MG2 . . 3.970 3.852 3.587 3.965 . 0 0 "[ . 1 . 2]" 1
1358 1 70 TYR QE 1 96 VAL MG1 . . 3.960 3.876 3.721 3.957 . 0 0 "[ . 1 . 2]" 1
1359 1 70 TYR QE 1 96 VAL MG2 . . 4.770 4.147 3.950 4.317 . 0 0 "[ . 1 . 2]" 1
1360 1 70 TYR QE 1 98 ILE MD . . 3.620 3.118 2.877 3.304 . 0 0 "[ . 1 . 2]" 1
1361 1 70 TYR QE 1 98 ILE HG13 . . 4.460 3.897 3.456 4.301 . 0 0 "[ . 1 . 2]" 1
1362 1 70 TYR HH 1 96 VAL MG1 . . 3.490 2.209 1.982 2.687 . 0 0 "[ . 1 . 2]" 1
1363 1 70 TYR HH 1 96 VAL MG2 . . 3.810 3.402 3.090 3.784 . 0 0 "[ . 1 . 2]" 1
1364 1 71 PHE H 1 71 PHE HB2 . . 3.470 2.886 2.747 2.988 . 0 0 "[ . 1 . 2]" 1
1365 1 71 PHE H 1 71 PHE HB3 . . 3.470 2.832 2.764 2.910 . 0 0 "[ . 1 . 2]" 1
1366 1 71 PHE H 1 71 PHE QD . . 4.390 4.360 4.318 4.402 0.012 1 0 "[ . 1 . 2]" 1
1367 1 71 PHE HA 1 71 PHE QD . . 3.720 2.590 2.463 2.765 . 0 0 "[ . 1 . 2]" 1
1368 1 71 PHE HA 1 72 PRO HD2 . . 3.570 1.913 1.912 1.914 . 0 0 "[ . 1 . 2]" 1
1369 1 71 PHE HA 1 72 PRO QD . . 3.120 1.857 1.853 1.859 . 0 0 "[ . 1 . 2]" 1
1370 1 71 PHE HA 1 72 PRO HD3 . . 3.570 2.516 2.490 2.524 . 0 0 "[ . 1 . 2]" 1
1371 1 71 PHE HA 1 72 PRO HG2 . . 5.360 4.115 4.114 4.116 . 0 0 "[ . 1 . 2]" 1
1372 1 71 PHE QD 1 72 PRO QD . . 4.650 3.415 3.263 3.572 . 0 0 "[ . 1 . 2]" 1
1373 1 71 PHE QD 1 73 THR MG . . 3.460 2.977 2.704 3.180 . 0 0 "[ . 1 . 2]" 1
1374 1 71 PHE QE 1 73 THR HA . . 4.930 4.804 4.410 4.932 0.002 6 0 "[ . 1 . 2]" 1
1375 1 71 PHE QE 1 73 THR MG . . 4.100 3.595 3.211 3.839 . 0 0 "[ . 1 . 2]" 1
1376 1 72 PRO HA 1 73 THR H . . 2.920 2.243 2.201 2.332 . 0 0 "[ . 1 . 2]" 1
1377 1 72 PRO HA 1 73 THR HA . . 4.870 4.421 4.407 4.446 . 0 0 "[ . 1 . 2]" 1
1378 1 72 PRO HA 1 78 TYR QE . . 4.630 3.985 3.711 4.211 . 0 0 "[ . 1 . 2]" 1
1379 1 72 PRO QB 1 73 THR H . . 3.870 2.933 2.695 3.060 . 0 0 "[ . 1 . 2]" 1
1380 1 72 PRO QB 1 74 VAL H . . 4.020 3.588 3.371 3.937 . 0 0 "[ . 1 . 2]" 1
1381 1 72 PRO QB 1 78 TYR QE . . 3.930 3.127 2.876 3.417 . 0 0 "[ . 1 . 2]" 1
1382 1 72 PRO QB 1 78 TYR HH . . 4.830 3.973 3.603 4.308 . 0 0 "[ . 1 . 2]" 1
1383 1 72 PRO QB 1 98 ILE HG13 . . 4.540 3.007 2.816 3.228 . 0 0 "[ . 1 . 2]" 1
1384 1 72 PRO QB 1 98 ILE MG . . 3.260 2.909 2.555 3.233 . 0 0 "[ . 1 . 2]" 1
1385 1 72 PRO QD 1 98 ILE MD . . 4.740 4.273 4.140 4.402 . 0 0 "[ . 1 . 2]" 1
1386 1 72 PRO HG2 1 98 ILE MD . . 4.200 4.024 3.835 4.195 . 0 0 "[ . 1 . 2]" 1
1387 1 72 PRO HG2 1 98 ILE MG . . 3.930 3.623 3.307 3.872 . 0 0 "[ . 1 . 2]" 1
1388 1 72 PRO HG3 1 98 ILE MD . . 3.670 2.945 2.762 3.150 . 0 0 "[ . 1 . 2]" 1
1389 1 72 PRO HG3 1 98 ILE HG13 . . 4.620 3.663 3.152 4.015 . 0 0 "[ . 1 . 2]" 1
1390 1 72 PRO HG3 1 98 ILE MG . . 3.700 3.420 3.016 3.696 . 0 0 "[ . 1 . 2]" 1
1391 1 73 THR H 1 73 THR MG . . 3.450 3.036 2.817 3.261 . 0 0 "[ . 1 . 2]" 1
1392 1 73 THR H 1 74 VAL H . . 3.040 1.857 1.800 2.028 . 0 0 "[ . 1 . 2]" 1
1393 1 73 THR H 1 74 VAL HB . . 4.680 4.306 4.145 4.478 . 0 0 "[ . 1 . 2]" 1
1394 1 73 THR H 1 74 VAL MG2 . . 4.440 4.037 3.805 4.264 . 0 0 "[ . 1 . 2]" 1
1395 1 73 THR H 1 78 TYR HH . . 4.660 3.482 3.086 3.836 . 0 0 "[ . 1 . 2]" 1
1396 1 73 THR HA 1 73 THR MG . . 3.190 2.249 2.162 2.409 . 0 0 "[ . 1 . 2]" 1
1397 1 73 THR HA 1 74 VAL HA . . 5.280 4.532 4.504 4.566 . 0 0 "[ . 1 . 2]" 1
1398 1 73 THR HB 1 74 VAL H . . 4.490 3.839 3.326 4.067 . 0 0 "[ . 1 . 2]" 1
1399 1 73 THR MG 1 74 VAL H . . 4.080 4.052 3.981 4.084 0.004 18 0 "[ . 1 . 2]" 1
1400 1 74 VAL H 1 74 VAL HB . . 3.410 2.652 2.534 2.759 . 0 0 "[ . 1 . 2]" 1
1401 1 74 VAL H 1 74 VAL MG1 . . 4.120 3.845 3.767 3.894 . 0 0 "[ . 1 . 2]" 1
1402 1 74 VAL H 1 74 VAL MG2 . . 3.610 2.863 2.631 3.120 . 0 0 "[ . 1 . 2]" 1
1403 1 74 VAL H 1 75 PRO HD3 . . 4.870 4.676 4.561 4.827 . 0 0 "[ . 1 . 2]" 1
1404 1 74 VAL H 1 78 TYR HH . . 3.330 2.596 2.424 2.820 . 0 0 "[ . 1 . 2]" 1
1405 1 74 VAL HA 1 74 VAL MG1 . . 3.350 2.422 2.313 2.468 . 0 0 "[ . 1 . 2]" 1
1406 1 74 VAL HA 1 74 VAL MG2 . . 3.180 2.306 2.218 2.399 . 0 0 "[ . 1 . 2]" 1
1407 1 74 VAL HA 1 75 PRO HD2 . . 3.320 2.082 2.023 2.144 . 0 0 "[ . 1 . 2]" 1
1408 1 74 VAL HA 1 75 PRO HD3 . . 3.300 2.268 2.253 2.290 . 0 0 "[ . 1 . 2]" 1
1409 1 74 VAL HA 1 75 PRO HG2 . . 4.780 4.258 4.212 4.307 . 0 0 "[ . 1 . 2]" 1
1410 1 74 VAL HA 1 75 PRO QG . . 4.170 3.824 3.797 3.854 . 0 0 "[ . 1 . 2]" 1
1411 1 74 VAL HA 1 75 PRO HG3 . . 4.780 4.329 4.317 4.346 . 0 0 "[ . 1 . 2]" 1
1412 1 74 VAL HB 1 75 PRO HD2 . . 4.670 4.121 3.970 4.277 . 0 0 "[ . 1 . 2]" 1
1413 1 74 VAL HB 1 78 TYR HH . . 3.860 2.573 2.292 2.892 . 0 0 "[ . 1 . 2]" 1
1414 1 74 VAL MG1 1 75 PRO HB2 . . 4.720 4.423 4.306 4.579 . 0 0 "[ . 1 . 2]" 1
1415 1 74 VAL MG1 1 75 PRO HD2 . . 3.210 1.945 1.859 2.019 . 0 0 "[ . 1 . 2]" 1
1416 1 74 VAL MG1 1 75 PRO HD3 . . 3.460 3.307 3.187 3.426 . 0 0 "[ . 1 . 2]" 1
1417 1 74 VAL MG1 1 75 PRO QG . . 3.950 3.030 2.891 3.182 . 0 0 "[ . 1 . 2]" 1
1418 1 74 VAL MG1 1 78 TYR HH . . 4.150 3.685 3.228 4.139 . 0 0 "[ . 1 . 2]" 1
1419 1 74 VAL MG2 1 75 PRO HD2 . . 4.340 3.437 3.298 3.595 . 0 0 "[ . 1 . 2]" 1
1420 1 74 VAL MG2 1 78 TYR HH . . 4.220 3.962 3.701 4.141 . 0 0 "[ . 1 . 2]" 1
1421 1 75 PRO HA 1 76 GLY H . . 2.970 2.212 2.178 2.297 . 0 0 "[ . 1 . 2]" 1
1422 1 75 PRO HA 1 78 TYR QE . . 4.310 3.354 3.168 3.564 . 0 0 "[ . 1 . 2]" 1
1423 1 75 PRO HA 1 98 ILE H . . 5.070 4.674 4.410 4.935 . 0 0 "[ . 1 . 2]" 1
1424 1 75 PRO HA 1 98 ILE HB . . 3.900 2.517 2.151 2.978 . 0 0 "[ . 1 . 2]" 1
1425 1 75 PRO HA 1 98 ILE MG . . 3.330 2.248 2.012 2.665 . 0 0 "[ . 1 . 2]" 1
1426 1 75 PRO HA 1 99 SER H . . 5.500 5.287 4.970 5.503 0.003 15 0 "[ . 1 . 2]" 1
1427 1 75 PRO HB2 1 76 GLY HA3 . . 5.090 4.726 4.571 4.837 . 0 0 "[ . 1 . 2]" 1
1428 1 75 PRO HB3 1 76 GLY H . . 3.900 3.800 3.616 3.893 . 0 0 "[ . 1 . 2]" 1
1429 1 75 PRO HB3 1 98 ILE MG . . 3.950 2.946 2.413 3.328 . 0 0 "[ . 1 . 2]" 1
1430 1 75 PRO HB3 1 99 SER H . . 5.500 5.125 4.737 5.382 . 0 0 "[ . 1 . 2]" 1
1431 1 75 PRO HB3 1 100 GLY H . . 4.150 3.524 2.541 4.143 . 0 0 "[ . 1 . 2]" 1
1432 1 75 PRO HB3 1 100 GLY HA2 . . 4.490 3.160 2.296 3.812 . 0 0 "[ . 1 . 2]" 1
1433 1 75 PRO HB3 1 100 GLY QA . . 3.780 2.239 1.941 2.882 . 0 0 "[ . 1 . 2]" 1
1434 1 75 PRO HB3 1 100 GLY HA3 . . 4.490 2.337 2.002 3.398 . 0 0 "[ . 1 . 2]" 1
1435 1 75 PRO QG 1 100 GLY QA . . 4.170 2.702 1.997 3.307 . 0 0 "[ . 1 . 2]" 1
1436 1 76 GLY H 1 77 VAL H . . 4.400 4.229 4.046 4.344 . 0 0 "[ . 1 . 2]" 1
1437 1 76 GLY H 1 78 TYR QD . . 4.420 4.125 3.881 4.409 . 0 0 "[ . 1 . 2]" 1
1438 1 76 GLY H 1 78 TYR QE . . 3.880 3.518 3.286 3.841 . 0 0 "[ . 1 . 2]" 1
1439 1 76 GLY H 1 98 ILE H . . 3.620 3.074 2.832 3.322 . 0 0 "[ . 1 . 2]" 1
1440 1 76 GLY H 1 98 ILE HB . . 3.390 2.071 1.899 2.253 . 0 0 "[ . 1 . 2]" 1
1441 1 76 GLY H 1 98 ILE HG12 . . 4.380 4.007 3.474 4.381 0.001 18 0 "[ . 1 . 2]" 1
1442 1 76 GLY H 1 98 ILE HG13 . . 4.570 4.223 3.572 4.567 . 0 0 "[ . 1 . 2]" 1
1443 1 76 GLY H 1 98 ILE MG . . 3.690 3.296 2.864 3.588 . 0 0 "[ . 1 . 2]" 1
1444 1 76 GLY HA2 1 77 VAL H . . 3.280 3.061 2.917 3.186 . 0 0 "[ . 1 . 2]" 1
1445 1 76 GLY HA2 1 77 VAL MG2 . . 4.190 3.480 3.306 3.640 . 0 0 "[ . 1 . 2]" 1
1446 1 76 GLY HA3 1 77 VAL H . . 2.960 2.190 2.144 2.266 . 0 0 "[ . 1 . 2]" 1
1447 1 76 GLY HA3 1 77 VAL MG2 . . 4.260 3.978 3.756 4.209 . 0 0 "[ . 1 . 2]" 1
1448 1 76 GLY HA3 1 78 TYR QE . . 4.820 4.542 4.232 4.820 0.000 9 0 "[ . 1 . 2]" 1
1449 1 77 VAL H 1 77 VAL HB . . 2.970 2.609 2.495 2.740 . 0 0 "[ . 1 . 2]" 1
1450 1 77 VAL H 1 77 VAL MG1 . . 3.940 3.821 3.739 3.890 . 0 0 "[ . 1 . 2]" 1
1451 1 77 VAL H 1 77 VAL MG2 . . 3.240 2.848 2.647 3.025 . 0 0 "[ . 1 . 2]" 1
1452 1 77 VAL H 1 78 TYR H . . 4.440 4.160 3.994 4.282 . 0 0 "[ . 1 . 2]" 1
1453 1 77 VAL HB 1 95 THR MG . . 4.520 4.262 4.110 4.414 . 0 0 "[ . 1 . 2]" 1
1454 1 77 VAL MG1 1 78 TYR H . . 3.530 2.897 2.618 3.123 . 0 0 "[ . 1 . 2]" 1
1455 1 77 VAL MG1 1 95 THR HB . . 4.420 4.299 4.082 4.416 . 0 0 "[ . 1 . 2]" 1
1456 1 77 VAL MG1 1 95 THR MG . . 2.690 1.847 1.750 1.940 . 0 0 "[ . 1 . 2]" 1
1457 1 77 VAL MG1 1 96 VAL H . . 3.960 3.502 3.066 3.783 . 0 0 "[ . 1 . 2]" 1
1458 1 77 VAL MG2 1 97 LYS QD . . 4.450 3.524 2.030 4.453 0.003 18 0 "[ . 1 . 2]" 1
1459 1 77 VAL MG2 1 97 LYS QE . . 4.210 3.422 2.175 4.143 . 0 0 "[ . 1 . 2]" 1
1460 1 77 VAL MG2 1 97 LYS HG2 . . 4.140 2.942 2.327 3.752 . 0 0 "[ . 1 . 2]" 1
1461 1 77 VAL MG2 1 97 LYS QG . . 3.570 2.543 2.264 2.841 . 0 0 "[ . 1 . 2]" 1
1462 1 77 VAL MG2 1 97 LYS HG3 . . 4.140 3.237 2.305 3.857 . 0 0 "[ . 1 . 2]" 1
1463 1 77 VAL MG2 1 98 ILE H . . 4.620 4.271 3.848 4.524 . 0 0 "[ . 1 . 2]" 1
1464 1 78 TYR H 1 78 TYR HB2 . . 3.680 2.372 2.332 2.424 . 0 0 "[ . 1 . 2]" 1
1465 1 78 TYR H 1 78 TYR HB3 . . 3.910 3.614 3.590 3.646 . 0 0 "[ . 1 . 2]" 1
1466 1 78 TYR H 1 78 TYR QD . . 3.640 2.696 2.488 2.865 . 0 0 "[ . 1 . 2]" 1
1467 1 78 TYR H 1 78 TYR QE . . 5.130 4.828 4.640 5.007 . 0 0 "[ . 1 . 2]" 1
1468 1 78 TYR H 1 96 VAL H . . 3.990 3.436 3.187 3.602 . 0 0 "[ . 1 . 2]" 1
1469 1 78 TYR H 1 96 VAL HB . . 3.950 3.437 3.167 3.692 . 0 0 "[ . 1 . 2]" 1
1470 1 78 TYR H 1 96 VAL MG1 . . 4.410 4.212 3.908 4.383 . 0 0 "[ . 1 . 2]" 1
1471 1 78 TYR H 1 96 VAL MG2 . . 5.260 4.721 4.476 4.942 . 0 0 "[ . 1 . 2]" 1
1472 1 78 TYR H 1 98 ILE H . . 4.470 4.110 3.728 4.378 . 0 0 "[ . 1 . 2]" 1
1473 1 78 TYR H 1 98 ILE HG12 . . 4.940 3.697 3.390 3.909 . 0 0 "[ . 1 . 2]" 1
1474 1 78 TYR H 1 98 ILE HG13 . . 5.500 4.913 4.457 5.200 . 0 0 "[ . 1 . 2]" 1
1475 1 78 TYR HA 1 78 TYR QD . . 4.370 2.954 2.817 3.028 . 0 0 "[ . 1 . 2]" 1
1476 1 78 TYR HA 1 79 ILE H . . 2.770 2.146 2.138 2.181 . 0 0 "[ . 1 . 2]" 1
1477 1 78 TYR HA 1 96 VAL HB . . 5.260 5.092 4.810 5.261 0.001 14 0 "[ . 1 . 2]" 1
1478 1 78 TYR HB2 1 79 ILE H . . 4.610 4.357 4.158 4.442 . 0 0 "[ . 1 . 2]" 1
1479 1 78 TYR HB2 1 80 VAL MG2 . . 4.310 3.909 3.727 4.200 . 0 0 "[ . 1 . 2]" 1
1480 1 78 TYR HB2 1 96 VAL H . . 4.800 3.869 3.589 4.162 . 0 0 "[ . 1 . 2]" 1
1481 1 78 TYR HB2 1 96 VAL HB . . 3.730 2.547 2.127 2.747 . 0 0 "[ . 1 . 2]" 1
1482 1 78 TYR HB2 1 96 VAL MG1 . . 4.390 3.574 3.286 3.754 . 0 0 "[ . 1 . 2]" 1
1483 1 78 TYR HB2 1 96 VAL MG2 . . 4.490 3.895 3.427 4.153 . 0 0 "[ . 1 . 2]" 1
1484 1 78 TYR HB2 1 98 ILE MD . . 4.740 4.046 3.701 4.364 . 0 0 "[ . 1 . 2]" 1
1485 1 78 TYR HB3 1 79 ILE H . . 3.580 3.428 3.109 3.582 0.002 1 0 "[ . 1 . 2]" 1
1486 1 78 TYR HB3 1 80 VAL MG2 . . 4.200 3.300 3.144 3.486 . 0 0 "[ . 1 . 2]" 1
1487 1 78 TYR HB3 1 96 VAL HB . . 4.240 3.773 3.440 4.032 . 0 0 "[ . 1 . 2]" 1
1488 1 78 TYR QD 1 78 TYR HH . . 4.510 4.340 4.316 4.352 . 0 0 "[ . 1 . 2]" 1
1489 1 78 TYR QD 1 79 ILE H . . 4.300 4.093 3.942 4.300 0.000 19 0 "[ . 1 . 2]" 1
1490 1 78 TYR QD 1 96 VAL HB . . 4.670 4.157 3.729 4.421 . 0 0 "[ . 1 . 2]" 1
1491 1 78 TYR QD 1 98 ILE H . . 4.270 3.754 3.271 4.000 . 0 0 "[ . 1 . 2]" 1
1492 1 78 TYR QD 1 98 ILE HB . . 4.020 3.338 2.797 3.878 . 0 0 "[ . 1 . 2]" 1
1493 1 78 TYR QD 1 98 ILE MD . . 4.450 3.484 3.217 3.791 . 0 0 "[ . 1 . 2]" 1
1494 1 78 TYR QD 1 98 ILE HG12 . . 3.900 2.149 2.033 2.461 . 0 0 "[ . 1 . 2]" 1
1495 1 78 TYR QD 1 98 ILE HG13 . . 3.950 2.498 2.034 2.798 . 0 0 "[ . 1 . 2]" 1
1496 1 78 TYR QD 1 98 ILE MG . . 4.500 4.150 3.665 4.501 0.001 20 0 "[ . 1 . 2]" 1
1497 1 78 TYR QE 1 78 TYR HH . . 3.200 2.585 2.484 2.639 . 0 0 "[ . 1 . 2]" 1
1498 1 78 TYR QE 1 98 ILE H . . 4.940 4.764 4.451 4.939 . 0 0 "[ . 1 . 2]" 1
1499 1 78 TYR QE 1 98 ILE HB . . 3.430 2.999 2.429 3.411 . 0 0 "[ . 1 . 2]" 1
1500 1 78 TYR QE 1 98 ILE MD . . 4.610 4.099 3.736 4.371 . 0 0 "[ . 1 . 2]" 1
1501 1 78 TYR QE 1 98 ILE HG12 . . 4.390 3.448 3.067 3.789 . 0 0 "[ . 1 . 2]" 1
1502 1 78 TYR QE 1 98 ILE HG13 . . 4.500 2.534 2.152 2.834 . 0 0 "[ . 1 . 2]" 1
1503 1 78 TYR QE 1 98 ILE MG . . 3.910 3.278 2.687 3.631 . 0 0 "[ . 1 . 2]" 1
1504 1 79 ILE H 1 79 ILE HB . . 3.190 2.525 2.455 2.615 . 0 0 "[ . 1 . 2]" 1
1505 1 79 ILE H 1 79 ILE MD . . 3.780 3.430 3.022 3.681 . 0 0 "[ . 1 . 2]" 1
1506 1 79 ILE H 1 79 ILE HG12 . . 4.100 2.461 2.152 2.650 . 0 0 "[ . 1 . 2]" 1
1507 1 79 ILE H 1 79 ILE HG13 . . 4.100 3.843 3.544 4.034 . 0 0 "[ . 1 . 2]" 1
1508 1 79 ILE H 1 79 ILE MG . . 4.150 3.792 3.765 3.811 . 0 0 "[ . 1 . 2]" 1
1509 1 79 ILE H 1 80 VAL H . . 4.740 4.253 4.195 4.367 . 0 0 "[ . 1 . 2]" 1
1510 1 79 ILE HA 1 79 ILE MD . . 3.370 2.040 1.906 2.239 . 0 0 "[ . 1 . 2]" 1
1511 1 79 ILE HA 1 79 ILE MG . . 3.230 2.352 2.233 2.446 . 0 0 "[ . 1 . 2]" 1
1512 1 79 ILE HA 1 80 VAL H . . 2.910 2.169 2.144 2.186 . 0 0 "[ . 1 . 2]" 1
1513 1 79 ILE HA 1 80 VAL HB . . 4.730 4.612 4.556 4.672 . 0 0 "[ . 1 . 2]" 1
1514 1 79 ILE HA 1 80 VAL MG2 . . 4.340 3.967 3.818 4.038 . 0 0 "[ . 1 . 2]" 1
1515 1 79 ILE HA 1 95 THR HA . . 4.000 2.979 2.686 3.311 . 0 0 "[ . 1 . 2]" 1
1516 1 79 ILE HA 1 95 THR MG . . 4.860 4.285 3.989 4.576 . 0 0 "[ . 1 . 2]" 1
1517 1 79 ILE HA 1 96 VAL H . . 4.120 3.623 3.328 3.857 . 0 0 "[ . 1 . 2]" 1
1518 1 79 ILE HB 1 79 ILE MD . . 3.560 3.218 3.191 3.229 . 0 0 "[ . 1 . 2]" 1
1519 1 79 ILE HB 1 80 VAL H . . 4.830 4.392 4.300 4.439 . 0 0 "[ . 1 . 2]" 1
1520 1 79 ILE MD 1 93 PRO HB2 . . 4.260 3.264 2.995 3.604 . 0 0 "[ . 1 . 2]" 1
1521 1 79 ILE MD 1 93 PRO HB3 . . 4.840 4.505 4.157 4.719 . 0 0 "[ . 1 . 2]" 1
1522 1 79 ILE MD 1 95 THR HA . . 3.510 2.523 2.196 2.840 . 0 0 "[ . 1 . 2]" 1
1523 1 79 ILE MD 1 95 THR HB . . 4.720 4.343 4.115 4.631 . 0 0 "[ . 1 . 2]" 1
1524 1 79 ILE MD 1 95 THR MG . . 3.470 2.574 2.199 2.957 . 0 0 "[ . 1 . 2]" 1
1525 1 79 ILE MD 1 96 VAL H . . 4.140 3.750 3.438 4.133 . 0 0 "[ . 1 . 2]" 1
1526 1 79 ILE QG 1 79 ILE MG . . 2.980 2.263 2.055 2.409 . 0 0 "[ . 1 . 2]" 1
1527 1 79 ILE QG 1 95 THR MG . . 4.540 4.255 3.904 4.529 . 0 0 "[ . 1 . 2]" 1
1528 1 79 ILE HG12 1 79 ILE MG . . 3.400 3.183 3.138 3.199 . 0 0 "[ . 1 . 2]" 1
1529 1 79 ILE HG13 1 79 ILE MG . . 3.400 2.318 2.084 2.493 . 0 0 "[ . 1 . 2]" 1
1530 1 79 ILE MG 1 80 VAL H . . 3.700 3.010 2.821 3.156 . 0 0 "[ . 1 . 2]" 1
1531 1 79 ILE MG 1 93 PRO HA . . 4.450 4.045 3.820 4.203 . 0 0 "[ . 1 . 2]" 1
1532 1 79 ILE MG 1 93 PRO HB2 . . 3.010 2.080 1.871 2.285 . 0 0 "[ . 1 . 2]" 1
1533 1 79 ILE MG 1 93 PRO HB3 . . 3.340 2.746 2.504 2.985 . 0 0 "[ . 1 . 2]" 1
1534 1 79 ILE MG 1 93 PRO QG . . 4.010 2.875 2.514 3.115 . 0 0 "[ . 1 . 2]" 1
1535 1 79 ILE MG 1 94 PHE H . . 4.140 3.297 2.926 3.754 . 0 0 "[ . 1 . 2]" 1
1536 1 80 VAL H 1 80 VAL HB . . 3.460 2.459 2.424 2.511 . 0 0 "[ . 1 . 2]" 1
1537 1 80 VAL H 1 80 VAL MG1 . . 4.140 3.768 3.752 3.788 . 0 0 "[ . 1 . 2]" 1
1538 1 80 VAL H 1 80 VAL MG2 . . 3.240 2.546 2.412 2.660 . 0 0 "[ . 1 . 2]" 1
1539 1 80 VAL H 1 81 SER H . . 4.390 4.214 4.164 4.342 . 0 0 "[ . 1 . 2]" 1
1540 1 80 VAL H 1 93 PRO HB2 . . 4.880 4.241 4.058 4.605 . 0 0 "[ . 1 . 2]" 1
1541 1 80 VAL H 1 94 PHE HB2 . . 4.200 3.334 3.155 3.502 . 0 0 "[ . 1 . 2]" 1
1542 1 80 VAL H 1 94 PHE HB3 . . 4.450 3.846 3.696 4.034 . 0 0 "[ . 1 . 2]" 1
1543 1 80 VAL H 1 94 PHE QD . . 5.300 5.200 5.071 5.301 0.001 3 0 "[ . 1 . 2]" 1
1544 1 80 VAL H 1 95 THR HA . . 4.310 3.832 3.572 4.115 . 0 0 "[ . 1 . 2]" 1
1545 1 80 VAL HB 1 94 PHE H . . 4.150 3.550 3.429 3.733 . 0 0 "[ . 1 . 2]" 1
1546 1 80 VAL HB 1 94 PHE HB2 . . 3.700 2.017 1.997 2.107 . 0 0 "[ . 1 . 2]" 1
1547 1 80 VAL HB 1 94 PHE HB3 . . 3.960 2.756 2.549 3.001 . 0 0 "[ . 1 . 2]" 1
1548 1 80 VAL HB 1 94 PHE QD . . 4.050 4.015 3.938 4.057 0.007 17 0 "[ . 1 . 2]" 1
1549 1 80 VAL MG1 1 81 SER H . . 3.580 3.182 3.015 3.345 . 0 0 "[ . 1 . 2]" 1
1550 1 80 VAL MG1 1 82 THR H . . 4.770 3.596 3.431 3.901 . 0 0 "[ . 1 . 2]" 1
1551 1 80 VAL MG1 1 82 THR HB . . 4.830 4.188 3.849 4.340 . 0 0 "[ . 1 . 2]" 1
1552 1 80 VAL MG1 1 82 THR HG1 . . 3.800 2.615 2.338 2.790 . 0 0 "[ . 1 . 2]" 1
1553 1 80 VAL MG1 1 82 THR MG . . 3.990 3.709 3.586 3.977 . 0 0 "[ . 1 . 2]" 1
1554 1 80 VAL MG1 1 94 PHE H . . 4.380 4.230 3.957 4.382 0.002 2 0 "[ . 1 . 2]" 1
1555 1 80 VAL MG1 1 94 PHE HB3 . . 4.790 3.920 3.624 4.136 . 0 0 "[ . 1 . 2]" 1
1556 1 80 VAL MG1 1 94 PHE QD . . 4.150 4.105 3.917 4.156 0.006 16 0 "[ . 1 . 2]" 1
1557 1 80 VAL MG2 1 81 SER H . . 4.240 4.171 4.083 4.220 . 0 0 "[ . 1 . 2]" 1
1558 1 80 VAL MG2 1 94 PHE H . . 4.960 4.785 4.674 4.957 . 0 0 "[ . 1 . 2]" 1
1559 1 80 VAL MG2 1 94 PHE HB2 . . 4.050 3.630 3.524 3.745 . 0 0 "[ . 1 . 2]" 1
1560 1 80 VAL MG2 1 94 PHE QD . . 4.590 4.558 4.464 4.592 0.002 16 0 "[ . 1 . 2]" 1
1561 1 81 SER H 1 81 SER HB2 . . 3.940 2.400 2.194 3.646 . 0 0 "[ . 1 . 2]" 1
1562 1 81 SER H 1 81 SER QB . . 3.340 2.251 2.172 2.589 . 0 0 "[ . 1 . 2]" 1
1563 1 81 SER H 1 81 SER HB3 . . 3.940 3.381 2.413 3.578 . 0 0 "[ . 1 . 2]" 1
1564 1 81 SER H 1 82 THR H . . 4.760 4.223 4.187 4.322 . 0 0 "[ . 1 . 2]" 1
1565 1 81 SER HA 1 82 THR H . . 2.980 2.194 2.161 2.207 . 0 0 "[ . 1 . 2]" 1
1566 1 81 SER HA 1 88 HIS HE1 . . 4.710 2.799 2.484 3.035 . 0 0 "[ . 1 . 2]" 1
1567 1 81 SER HA 1 93 PRO HB3 . . 4.430 3.514 3.374 3.623 . 0 0 "[ . 1 . 2]" 1
1568 1 81 SER HA 1 93 PRO QG . . 5.470 5.366 5.252 5.457 . 0 0 "[ . 1 . 2]" 1
1569 1 81 SER HA 1 94 PHE H . . 4.100 3.759 3.494 4.014 . 0 0 "[ . 1 . 2]" 1
1570 1 81 SER QB 1 82 THR H . . 3.940 3.714 3.640 3.943 0.003 2 0 "[ . 1 . 2]" 1
1571 1 81 SER QB 1 82 THR HA . . 4.720 4.404 4.307 4.723 0.003 17 0 "[ . 1 . 2]" 1
1572 1 81 SER QB 1 83 LYS QE . . 4.420 3.743 3.461 4.276 . 0 0 "[ . 1 . 2]" 1
1573 1 81 SER QB 1 83 LYS HG3 . . 5.230 3.774 3.584 4.904 . 0 0 "[ . 1 . 2]" 1
1574 1 81 SER QB 1 88 HIS HE1 . . 3.550 2.437 2.171 3.240 . 0 0 "[ . 1 . 2]" 1
1575 1 81 SER HB2 1 88 HIS HE1 . . 4.200 3.748 2.199 4.177 . 0 0 "[ . 1 . 2]" 1
1576 1 81 SER HB3 1 88 HIS HE1 . . 4.200 2.623 2.183 4.144 . 0 0 "[ . 1 . 2]" 1
1577 1 82 THR H 1 82 THR HB . . 3.940 2.731 2.604 2.802 . 0 0 "[ . 1 . 2]" 1
1578 1 82 THR H 1 82 THR HG1 . . 4.010 3.311 2.655 3.706 . 0 0 "[ . 1 . 2]" 1
1579 1 82 THR H 1 82 THR MG . . 4.360 3.843 3.825 3.865 . 0 0 "[ . 1 . 2]" 1
1580 1 82 THR H 1 83 LYS H . . 4.700 4.289 4.225 4.355 . 0 0 "[ . 1 . 2]" 1
1581 1 82 THR H 1 89 VAL MG2 . . 4.080 3.516 3.338 3.661 . 0 0 "[ . 1 . 2]" 1
1582 1 82 THR H 1 92 SER HB2 . . 4.720 4.554 4.425 4.651 . 0 0 "[ . 1 . 2]" 1
1583 1 82 THR H 1 92 SER HB3 . . 4.190 3.747 3.620 3.858 . 0 0 "[ . 1 . 2]" 1
1584 1 82 THR H 1 92 SER HG . . 3.330 2.363 2.220 2.619 . 0 0 "[ . 1 . 2]" 1
1585 1 82 THR H 1 93 PRO HA . . 4.420 3.717 3.654 3.774 . 0 0 "[ . 1 . 2]" 1
1586 1 82 THR H 1 93 PRO HB2 . . 5.500 5.501 5.493 5.506 0.006 18 0 "[ . 1 . 2]" 1
1587 1 82 THR H 1 93 PRO HB3 . . 5.110 4.923 4.868 5.027 . 0 0 "[ . 1 . 2]" 1
1588 1 82 THR H 1 94 PHE H . . 4.660 4.084 3.700 4.337 . 0 0 "[ . 1 . 2]" 1
1589 1 82 THR HA 1 82 THR MG . . 3.400 2.235 2.115 2.377 . 0 0 "[ . 1 . 2]" 1
1590 1 82 THR HA 1 83 LYS H . . 2.800 2.150 2.141 2.162 . 0 0 "[ . 1 . 2]" 1
1591 1 82 THR HB 1 83 LYS H . . 4.490 4.231 4.136 4.303 . 0 0 "[ . 1 . 2]" 1
1592 1 82 THR HB 1 89 VAL H . . 4.770 3.610 3.498 3.821 . 0 0 "[ . 1 . 2]" 1
1593 1 82 THR HB 1 89 VAL HB . . 4.740 4.492 4.310 4.704 . 0 0 "[ . 1 . 2]" 1
1594 1 82 THR HB 1 89 VAL MG1 . . 3.970 3.065 2.767 3.607 . 0 0 "[ . 1 . 2]" 1
1595 1 82 THR HB 1 89 VAL MG2 . . 3.030 1.937 1.873 2.074 . 0 0 "[ . 1 . 2]" 1
1596 1 82 THR HB 1 92 SER HG . . 4.800 2.576 2.251 2.876 . 0 0 "[ . 1 . 2]" 1
1597 1 82 THR HB 1 94 PHE QE . . 4.560 4.314 4.110 4.501 . 0 0 "[ . 1 . 2]" 1
1598 1 82 THR HG1 1 89 VAL MG1 . . 5.160 4.369 4.011 4.946 . 0 0 "[ . 1 . 2]" 1
1599 1 82 THR HG1 1 89 VAL MG2 . . 3.830 3.209 2.997 3.538 . 0 0 "[ . 1 . 2]" 1
1600 1 82 THR MG 1 83 LYS H . . 3.590 2.894 2.714 3.102 . 0 0 "[ . 1 . 2]" 1
1601 1 82 THR MG 1 89 VAL HB . . 4.580 4.430 4.090 4.564 . 0 0 "[ . 1 . 2]" 1
1602 1 82 THR MG 1 94 PHE QE . . 5.040 4.862 4.681 5.043 0.003 14 0 "[ . 1 . 2]" 1
1603 1 83 LYS H 1 83 LYS HB2 . . 3.560 2.446 2.394 2.513 . 0 0 "[ . 1 . 2]" 1
1604 1 83 LYS H 1 83 LYS HG2 . . 4.420 4.220 4.072 4.302 . 0 0 "[ . 1 . 2]" 1
1605 1 83 LYS H 1 83 LYS HG3 . . 3.590 3.583 3.509 3.598 0.008 18 0 "[ . 1 . 2]" 1
1606 1 83 LYS H 1 84 PHE H . . 4.580 4.482 4.455 4.503 . 0 0 "[ . 1 . 2]" 1
1607 1 83 LYS HA 1 83 LYS QD . . 4.420 3.797 3.666 3.870 . 0 0 "[ . 1 . 2]" 1
1608 1 83 LYS HA 1 83 LYS HG2 . . 4.040 2.243 2.193 2.291 . 0 0 "[ . 1 . 2]" 1
1609 1 83 LYS HA 1 84 PHE H . . 3.040 2.286 2.265 2.318 . 0 0 "[ . 1 . 2]" 1
1610 1 83 LYS HA 1 84 PHE HB3 . . 4.630 4.314 4.279 4.385 . 0 0 "[ . 1 . 2]" 1
1611 1 83 LYS HA 1 87 GLU H . . 4.190 4.016 3.902 4.101 . 0 0 "[ . 1 . 2]" 1
1612 1 83 LYS HA 1 88 HIS HA . . 3.670 2.167 2.079 2.281 . 0 0 "[ . 1 . 2]" 1
1613 1 83 LYS HA 1 89 VAL H . . 3.720 3.039 2.818 3.151 . 0 0 "[ . 1 . 2]" 1
1614 1 83 LYS HA 1 89 VAL MG1 . . 4.070 3.840 3.557 4.057 . 0 0 "[ . 1 . 2]" 1
1615 1 83 LYS HA 1 89 VAL MG2 . . 4.440 3.984 3.779 4.121 . 0 0 "[ . 1 . 2]" 1
1616 1 83 LYS HB2 1 83 LYS HD2 . . 3.960 2.959 2.513 3.138 . 0 0 "[ . 1 . 2]" 1
1617 1 83 LYS HB2 1 83 LYS HD3 . . 3.960 3.838 3.255 3.953 . 0 0 "[ . 1 . 2]" 1
1618 1 83 LYS HB2 1 84 PHE H . . 4.100 4.077 4.019 4.103 0.003 14 0 "[ . 1 . 2]" 1
1619 1 83 LYS HB2 1 86 ASP HA . . 5.480 5.428 5.293 5.487 0.007 18 0 "[ . 1 . 2]" 1
1620 1 83 LYS HB2 1 87 GLU H . . 4.920 4.897 4.744 4.925 0.005 16 0 "[ . 1 . 2]" 1
1621 1 83 LYS HB3 1 83 LYS QD . . 3.420 2.163 2.068 2.322 . 0 0 "[ . 1 . 2]" 1
1622 1 83 LYS HB3 1 84 PHE H . . 3.360 2.810 2.717 2.862 . 0 0 "[ . 1 . 2]" 1
1623 1 83 LYS HB3 1 86 ASP H . . 4.880 3.731 3.481 3.833 . 0 0 "[ . 1 . 2]" 1
1624 1 83 LYS HB3 1 86 ASP HA . . 4.650 3.920 3.780 3.994 . 0 0 "[ . 1 . 2]" 1
1625 1 83 LYS HB3 1 87 GLU H . . 3.550 3.168 3.003 3.199 . 0 0 "[ . 1 . 2]" 1
1626 1 83 LYS QD 1 84 PHE H . . 4.380 4.186 4.061 4.321 . 0 0 "[ . 1 . 2]" 1
1627 1 83 LYS QD 1 86 ASP HA . . 3.860 3.049 2.833 3.170 . 0 0 "[ . 1 . 2]" 1
1628 1 83 LYS QD 1 87 GLU H . . 4.090 3.389 3.174 3.597 . 0 0 "[ . 1 . 2]" 1
1629 1 83 LYS QD 1 88 HIS H . . 4.580 3.905 3.476 4.510 . 0 0 "[ . 1 . 2]" 1
1630 1 83 LYS QD 1 88 HIS HA . . 4.670 4.022 3.693 4.564 . 0 0 "[ . 1 . 2]" 1
1631 1 83 LYS HD2 1 86 ASP HA . . 4.570 3.234 2.937 4.381 . 0 0 "[ . 1 . 2]" 1
1632 1 83 LYS HD3 1 86 ASP HA . . 4.570 4.231 2.869 4.496 . 0 0 "[ . 1 . 2]" 1
1633 1 83 LYS QE 1 83 LYS HG3 . . 3.550 2.234 2.078 2.496 . 0 0 "[ . 1 . 2]" 1
1634 1 83 LYS QE 1 86 ASP HA . . 5.110 4.850 4.054 5.112 0.002 10 0 "[ . 1 . 2]" 1
1635 1 83 LYS QE 1 88 HIS HD2 . . 4.090 3.391 1.982 4.100 0.010 18 0 "[ . 1 . 2]" 1
1636 1 83 LYS QE 1 88 HIS HE1 . . 4.600 3.627 3.065 4.607 0.007 15 0 "[ . 1 . 2]" 1
1637 1 83 LYS HE2 1 83 LYS HG3 . . 4.170 2.798 2.197 3.496 . 0 0 "[ . 1 . 2]" 1
1638 1 83 LYS HE2 1 88 HIS HD2 . . 4.800 3.609 2.008 4.654 . 0 0 "[ . 1 . 2]" 1
1639 1 83 LYS HE3 1 83 LYS HG3 . . 4.170 2.548 2.096 3.672 . 0 0 "[ . 1 . 2]" 1
1640 1 83 LYS HE3 1 88 HIS HD2 . . 4.800 4.316 3.052 4.789 . 0 0 "[ . 1 . 2]" 1
1641 1 83 LYS HG2 1 84 PHE H . . 4.330 3.550 3.455 3.693 . 0 0 "[ . 1 . 2]" 1
1642 1 83 LYS HG2 1 87 GLU H . . 4.800 3.821 3.550 4.164 . 0 0 "[ . 1 . 2]" 1
1643 1 83 LYS HG2 1 88 HIS H . . 4.530 3.373 3.186 3.590 . 0 0 "[ . 1 . 2]" 1
1644 1 83 LYS HG2 1 88 HIS HA . . 3.840 2.248 2.048 2.530 . 0 0 "[ . 1 . 2]" 1
1645 1 83 LYS HG2 1 89 VAL H . . 4.470 4.228 3.964 4.477 0.007 12 0 "[ . 1 . 2]" 1
1646 1 83 LYS HG3 1 88 HIS HA . . 4.060 3.479 3.335 3.616 . 0 0 "[ . 1 . 2]" 1
1647 1 83 LYS HG3 1 89 VAL H . . 5.170 5.077 4.953 5.175 0.005 5 0 "[ . 1 . 2]" 1
1648 1 84 PHE H 1 84 PHE HB3 . . 3.690 2.782 2.753 2.816 . 0 0 "[ . 1 . 2]" 1
1649 1 84 PHE H 1 84 PHE QD . . 4.470 4.219 4.094 4.352 . 0 0 "[ . 1 . 2]" 1
1650 1 84 PHE H 1 85 ALA H . . 4.410 3.947 3.874 4.059 . 0 0 "[ . 1 . 2]" 1
1651 1 84 PHE H 1 87 GLU H . . 3.390 2.500 2.371 2.615 . 0 0 "[ . 1 . 2]" 1
1652 1 84 PHE H 1 87 GLU HB3 . . 5.320 4.509 4.422 4.640 . 0 0 "[ . 1 . 2]" 1
1653 1 84 PHE H 1 88 HIS HA . . 4.040 3.541 3.466 3.627 . 0 0 "[ . 1 . 2]" 1
1654 1 84 PHE H 1 89 VAL H . . 4.540 4.297 4.043 4.465 . 0 0 "[ . 1 . 2]" 1
1655 1 84 PHE H 1 89 VAL MG1 . . 4.960 4.328 4.058 4.526 . 0 0 "[ . 1 . 2]" 1
1656 1 84 PHE HA 1 84 PHE QD . . 3.880 2.872 2.451 3.119 . 0 0 "[ . 1 . 2]" 1
1657 1 84 PHE HA 1 85 ALA H . . 2.940 2.151 2.139 2.163 . 0 0 "[ . 1 . 2]" 1
1658 1 84 PHE HA 1 85 ALA HA . . 4.400 4.368 4.364 4.373 . 0 0 "[ . 1 . 2]" 1
1659 1 84 PHE HA 1 85 ALA MB . . 4.330 3.965 3.916 4.017 . 0 0 "[ . 1 . 2]" 1
1660 1 84 PHE HA 1 86 ASP H . . 4.390 4.047 3.906 4.214 . 0 0 "[ . 1 . 2]" 1
1661 1 84 PHE HB2 1 85 ALA H . . 4.590 4.321 4.225 4.388 . 0 0 "[ . 1 . 2]" 1
1662 1 84 PHE HB2 1 85 ALA MB . . 5.020 4.845 4.761 4.880 . 0 0 "[ . 1 . 2]" 1
1663 1 84 PHE HB3 1 85 ALA H . . 4.690 4.450 4.404 4.492 . 0 0 "[ . 1 . 2]" 1
1664 1 84 PHE HB3 1 85 ALA MB . . 4.870 4.227 4.056 4.288 . 0 0 "[ . 1 . 2]" 1
1665 1 84 PHE HB3 1 89 VAL MG1 . . 4.220 3.529 3.333 3.774 . 0 0 "[ . 1 . 2]" 1
1666 1 84 PHE QD 1 85 ALA H . . 4.230 3.835 3.428 4.035 . 0 0 "[ . 1 . 2]" 1
1667 1 84 PHE QD 1 85 ALA MB . . 3.740 2.971 2.505 3.428 . 0 0 "[ . 1 . 2]" 1
1668 1 84 PHE QE 1 85 ALA MB . . 4.090 3.158 2.817 3.539 . 0 0 "[ . 1 . 2]" 1
1669 1 85 ALA H 1 85 ALA MB . . 3.380 2.898 2.822 2.929 . 0 0 "[ . 1 . 2]" 1
1670 1 85 ALA H 1 86 ASP H . . 3.550 2.667 2.596 2.777 . 0 0 "[ . 1 . 2]" 1
1671 1 85 ALA HA 1 86 ASP H . . 3.410 2.757 2.690 2.834 . 0 0 "[ . 1 . 2]" 1
1672 1 85 ALA HA 1 86 ASP QB . . 4.680 4.123 3.780 4.490 . 0 0 "[ . 1 . 2]" 1
1673 1 85 ALA HA 1 87 GLU H . . 5.010 4.709 4.640 4.849 . 0 0 "[ . 1 . 2]" 1
1674 1 85 ALA MB 1 86 ASP H . . 3.800 3.695 3.669 3.710 . 0 0 "[ . 1 . 2]" 1
1675 1 85 ALA MB 1 86 ASP HA . . 5.150 5.066 5.046 5.074 . 0 0 "[ . 1 . 2]" 1
1676 1 85 ALA MB 1 86 ASP QB . . 5.100 4.001 3.882 4.194 . 0 0 "[ . 1 . 2]" 1
1677 1 85 ALA MB 1 87 GLU H . . 4.250 4.134 4.049 4.248 . 0 0 "[ . 1 . 2]" 1
1678 1 85 ALA MB 1 87 GLU HB2 . . 4.620 3.429 3.332 3.565 . 0 0 "[ . 1 . 2]" 1
1679 1 86 ASP H 1 86 ASP HB2 . . 4.140 3.476 3.099 3.828 . 0 0 "[ . 1 . 2]" 1
1680 1 86 ASP H 1 86 ASP HB3 . . 4.140 3.941 3.586 4.102 . 0 0 "[ . 1 . 2]" 1
1681 1 86 ASP H 1 87 GLU H . . 3.420 2.672 2.586 2.739 . 0 0 "[ . 1 . 2]" 1
1682 1 86 ASP HA 1 87 GLU HB2 . . 5.500 5.104 5.003 5.186 . 0 0 "[ . 1 . 2]" 1
1683 1 86 ASP QB 1 87 GLU H . . 4.140 3.883 3.851 3.917 . 0 0 "[ . 1 . 2]" 1
1684 1 86 ASP HB2 1 87 GLU H . . 4.840 4.348 4.189 4.624 . 0 0 "[ . 1 . 2]" 1
1685 1 86 ASP HB3 1 87 GLU H . . 4.840 4.401 4.196 4.555 . 0 0 "[ . 1 . 2]" 1
1686 1 87 GLU H 1 87 GLU HB2 . . 3.270 2.853 2.810 2.903 . 0 0 "[ . 1 . 2]" 1
1687 1 87 GLU H 1 87 GLU HB3 . . 3.980 3.837 3.805 3.887 . 0 0 "[ . 1 . 2]" 1
1688 1 87 GLU H 1 87 GLU HG2 . . 4.590 4.432 4.395 4.525 . 0 0 "[ . 1 . 2]" 1
1689 1 87 GLU H 1 87 GLU HG3 . . 3.940 3.774 3.606 3.928 . 0 0 "[ . 1 . 2]" 1
1690 1 87 GLU H 1 88 HIS H . . 4.380 4.055 3.912 4.127 . 0 0 "[ . 1 . 2]" 1
1691 1 87 GLU HB3 1 88 HIS HA . . 5.140 4.866 4.799 4.961 . 0 0 "[ . 1 . 2]" 1
1692 1 87 GLU HG2 1 88 HIS H . . 4.180 4.017 3.873 4.170 . 0 0 "[ . 1 . 2]" 1
1693 1 87 GLU HG3 1 88 HIS H . . 5.030 4.997 4.861 5.030 0.000 9 0 "[ . 1 . 2]" 1
1694 1 88 HIS H 1 88 HIS HB2 . . 3.150 2.184 2.173 2.202 . 0 0 "[ . 1 . 2]" 1
1695 1 88 HIS H 1 88 HIS HB3 . . 3.500 3.491 3.481 3.506 0.006 12 0 "[ . 1 . 2]" 1
1696 1 88 HIS H 1 88 HIS HD2 . . 3.490 3.052 2.951 3.120 . 0 0 "[ . 1 . 2]" 1
1697 1 88 HIS H 1 89 VAL H . . 4.850 4.565 4.551 4.587 . 0 0 "[ . 1 . 2]" 1
1698 1 88 HIS HA 1 89 VAL H . . 3.030 2.169 2.161 2.191 . 0 0 "[ . 1 . 2]" 1
1699 1 88 HIS HA 1 89 VAL MG2 . . 3.770 3.541 3.499 3.567 . 0 0 "[ . 1 . 2]" 1
1700 1 88 HIS HA 1 92 SER HB2 . . 4.610 4.082 3.996 4.165 . 0 0 "[ . 1 . 2]" 1
1701 1 88 HIS HA 1 92 SER HG . . 4.780 4.299 4.171 4.390 . 0 0 "[ . 1 . 2]" 1
1702 1 88 HIS HB2 1 88 HIS HD2 . . 3.810 2.861 2.770 2.907 . 0 0 "[ . 1 . 2]" 1
1703 1 88 HIS HB2 1 89 VAL H . . 4.320 4.344 4.290 4.374 0.054 20 0 "[ . 1 . 2]" 1
1704 1 88 HIS HB2 1 92 SER H . . 5.400 5.401 5.360 5.413 0.013 12 0 "[ . 1 . 2]" 1
1705 1 88 HIS HB2 1 92 SER HB2 . . 4.320 4.042 3.986 4.113 . 0 0 "[ . 1 . 2]" 1
1706 1 88 HIS HB2 1 92 SER HB3 . . 4.540 4.519 4.456 4.546 0.006 20 0 "[ . 1 . 2]" 1
1707 1 88 HIS HB2 1 92 SER HG . . 5.500 5.457 5.379 5.506 0.006 12 0 "[ . 1 . 2]" 1
1708 1 88 HIS HB3 1 89 VAL H . . 4.130 3.272 3.166 3.330 . 0 0 "[ . 1 . 2]" 1
1709 1 88 HIS HB3 1 92 SER H . . 4.860 3.931 3.897 3.963 . 0 0 "[ . 1 . 2]" 1
1710 1 88 HIS HB3 1 92 SER HB2 . . 4.240 2.307 2.247 2.365 . 0 0 "[ . 1 . 2]" 1
1711 1 88 HIS HB3 1 92 SER HB3 . . 3.900 2.961 2.914 2.987 . 0 0 "[ . 1 . 2]" 1
1712 1 88 HIS HB3 1 92 SER HG . . 4.490 3.796 3.709 3.854 . 0 0 "[ . 1 . 2]" 1
1713 1 88 HIS HE1 1 92 SER HG . . 4.600 4.559 4.481 4.605 0.005 9 0 "[ . 1 . 2]" 1
1714 1 88 HIS HE1 1 93 PRO HB3 . . 4.080 4.079 4.014 4.092 0.012 16 0 "[ . 1 . 2]" 1
1715 1 88 HIS HE1 1 93 PRO HD3 . . 5.500 5.476 5.446 5.508 0.008 12 0 "[ . 1 . 2]" 1
1716 1 89 VAL H 1 89 VAL HB . . 3.940 3.600 3.560 3.618 . 0 0 "[ . 1 . 2]" 1
1717 1 89 VAL H 1 89 VAL MG1 . . 3.460 2.415 2.295 2.638 . 0 0 "[ . 1 . 2]" 1
1718 1 89 VAL H 1 89 VAL MG2 . . 2.970 1.862 1.832 1.882 . 0 0 "[ . 1 . 2]" 1
1719 1 89 VAL H 1 92 SER H . . 5.060 4.762 4.601 5.026 . 0 0 "[ . 1 . 2]" 1
1720 1 89 VAL H 1 92 SER HB2 . . 4.070 3.393 3.313 3.506 . 0 0 "[ . 1 . 2]" 1
1721 1 89 VAL H 1 92 SER HG . . 4.610 3.403 3.133 3.568 . 0 0 "[ . 1 . 2]" 1
1722 1 89 VAL HA 1 89 VAL MG1 . . 3.340 2.226 2.131 2.280 . 0 0 "[ . 1 . 2]" 1
1723 1 89 VAL HA 1 89 VAL MG2 . . 3.490 3.176 3.154 3.184 . 0 0 "[ . 1 . 2]" 1
1724 1 89 VAL HA 1 90 PRO HD2 . . 3.610 2.443 2.427 2.477 . 0 0 "[ . 1 . 2]" 1
1725 1 89 VAL HA 1 90 PRO HD3 . . 3.500 2.317 2.310 2.332 . 0 0 "[ . 1 . 2]" 1
1726 1 89 VAL HA 1 90 PRO HG3 . . 4.530 4.498 4.488 4.520 . 0 0 "[ . 1 . 2]" 1
1727 1 89 VAL HA 1 91 GLY H . . 5.500 5.113 5.011 5.225 . 0 0 "[ . 1 . 2]" 1
1728 1 89 VAL HB 1 90 PRO HD2 . . 3.260 1.983 1.967 2.004 . 0 0 "[ . 1 . 2]" 1
1729 1 89 VAL HB 1 90 PRO HD3 . . 3.930 3.435 3.423 3.449 . 0 0 "[ . 1 . 2]" 1
1730 1 89 VAL MG1 1 90 PRO HD2 . . 3.410 2.596 2.355 2.695 . 0 0 "[ . 1 . 2]" 1
1731 1 89 VAL MG1 1 90 PRO HD3 . . 3.710 3.388 3.173 3.494 . 0 0 "[ . 1 . 2]" 1
1732 1 89 VAL MG1 1 90 PRO HG3 . . 5.130 4.778 4.541 4.887 . 0 0 "[ . 1 . 2]" 1
1733 1 89 VAL MG2 1 90 PRO HD2 . . 4.030 3.679 3.653 3.703 . 0 0 "[ . 1 . 2]" 1
1734 1 89 VAL MG2 1 92 SER H . . 3.670 2.793 2.545 3.073 . 0 0 "[ . 1 . 2]" 1
1735 1 89 VAL MG2 1 92 SER HB2 . . 3.560 2.336 2.256 2.435 . 0 0 "[ . 1 . 2]" 1
1736 1 89 VAL MG2 1 92 SER HB3 . . 4.220 3.365 3.288 3.457 . 0 0 "[ . 1 . 2]" 1
1737 1 89 VAL MG2 1 94 PHE QD . . 4.900 3.295 3.133 3.464 . 0 0 "[ . 1 . 2]" 1
1738 1 89 VAL MG2 1 94 PHE QE . . 3.640 2.174 1.965 2.360 . 0 0 "[ . 1 . 2]" 1
1739 1 90 PRO HA 1 91 GLY H . . 2.640 2.368 2.323 2.412 . 0 0 "[ . 1 . 2]" 1
1740 1 90 PRO HA 1 91 GLY HA2 . . 4.390 4.327 4.321 4.336 . 0 0 "[ . 1 . 2]" 1
1741 1 90 PRO HA 1 92 SER H . . 4.300 3.906 3.846 3.975 . 0 0 "[ . 1 . 2]" 1
1742 1 90 PRO QB 1 91 GLY H . . 4.020 3.875 3.835 3.907 . 0 0 "[ . 1 . 2]" 1
1743 1 90 PRO HB2 1 91 GLY H . . 4.630 4.217 4.170 4.255 . 0 0 "[ . 1 . 2]" 1
1744 1 90 PRO HB3 1 91 GLY H . . 4.630 4.517 4.477 4.551 . 0 0 "[ . 1 . 2]" 1
1745 1 91 GLY H 1 92 SER H . . 3.400 1.795 1.790 1.804 . 0 0 "[ . 1 . 2]" 1
1746 1 91 GLY H 1 92 SER HB3 . . 5.500 5.141 5.101 5.191 . 0 0 "[ . 1 . 2]" 1
1747 1 91 GLY HA2 1 92 SER HA . . 5.080 4.700 4.626 4.744 . 0 0 "[ . 1 . 2]" 1
1748 1 91 GLY HA2 1 94 PHE QE . . 5.050 4.809 4.649 4.925 . 0 0 "[ . 1 . 2]" 1
1749 1 91 GLY HA3 1 92 SER H . . 3.450 3.256 3.184 3.373 . 0 0 "[ . 1 . 2]" 1
1750 1 91 GLY HA3 1 94 PHE QE . . 3.700 3.542 3.270 3.662 . 0 0 "[ . 1 . 2]" 1
1751 1 92 SER H 1 92 SER HB2 . . 3.150 2.177 2.165 2.211 . 0 0 "[ . 1 . 2]" 1
1752 1 92 SER H 1 92 SER HB3 . . 3.490 3.472 3.465 3.481 . 0 0 "[ . 1 . 2]" 1
1753 1 92 SER H 1 92 SER HG . . 4.410 4.050 3.879 4.188 . 0 0 "[ . 1 . 2]" 1
1754 1 92 SER H 1 93 PRO HA . . 4.790 4.693 4.687 4.703 . 0 0 "[ . 1 . 2]" 1
1755 1 92 SER H 1 94 PHE QE . . 4.030 3.299 3.173 3.487 . 0 0 "[ . 1 . 2]" 1
1756 1 92 SER HA 1 93 PRO HA . . 3.300 2.506 2.493 2.516 . 0 0 "[ . 1 . 2]" 1
1757 1 92 SER HA 1 93 PRO HB2 . . 4.720 4.474 4.465 4.480 . 0 0 "[ . 1 . 2]" 1
1758 1 92 SER HA 1 93 PRO HB3 . . 4.620 4.589 4.579 4.597 . 0 0 "[ . 1 . 2]" 1
1759 1 92 SER HA 1 94 PHE H . . 3.830 3.529 2.887 3.707 . 0 0 "[ . 1 . 2]" 1
1760 1 92 SER HA 1 94 PHE QD . . 3.730 2.022 1.998 2.059 . 0 0 "[ . 1 . 2]" 1
1761 1 92 SER HA 1 94 PHE QE . . 4.160 3.035 2.785 3.498 . 0 0 "[ . 1 . 2]" 1
1762 1 92 SER HB2 1 94 PHE QE . . 3.950 3.837 3.605 3.954 0.004 9 0 "[ . 1 . 2]" 1
1763 1 92 SER HB3 1 94 PHE H . . 4.840 4.216 3.698 4.367 . 0 0 "[ . 1 . 2]" 1
1764 1 92 SER HB3 1 94 PHE QE . . 4.970 4.577 4.290 4.873 . 0 0 "[ . 1 . 2]" 1
1765 1 92 SER HG 1 93 PRO HA . . 4.160 3.102 2.896 3.407 . 0 0 "[ . 1 . 2]" 1
1766 1 92 SER HG 1 94 PHE H . . 4.550 4.262 3.791 4.442 . 0 0 "[ . 1 . 2]" 1
1767 1 93 PRO HA 1 94 PHE H . . 3.120 2.446 2.213 2.536 . 0 0 "[ . 1 . 2]" 1
1768 1 93 PRO HA 1 94 PHE HB2 . . 4.600 4.386 4.343 4.442 . 0 0 "[ . 1 . 2]" 1
1769 1 93 PRO HA 1 94 PHE QD . . 4.280 3.124 2.929 3.446 . 0 0 "[ . 1 . 2]" 1
1770 1 93 PRO HB2 1 94 PHE H . . 4.060 2.508 2.291 3.179 . 0 0 "[ . 1 . 2]" 1
1771 1 93 PRO HB3 1 94 PHE H . . 4.200 3.404 3.299 3.772 . 0 0 "[ . 1 . 2]" 1
1772 1 94 PHE H 1 94 PHE HB2 . . 3.630 2.328 2.192 2.399 . 0 0 "[ . 1 . 2]" 1
1773 1 94 PHE H 1 94 PHE HB3 . . 3.930 3.559 3.493 3.612 . 0 0 "[ . 1 . 2]" 1
1774 1 94 PHE H 1 94 PHE QD . . 3.350 2.785 2.507 2.886 . 0 0 "[ . 1 . 2]" 1
1775 1 94 PHE H 1 95 THR H . . 4.890 4.259 4.197 4.395 . 0 0 "[ . 1 . 2]" 1
1776 1 94 PHE HA 1 94 PHE QD . . 3.920 2.736 2.614 2.827 . 0 0 "[ . 1 . 2]" 1
1777 1 94 PHE HA 1 95 THR H . . 2.640 2.149 2.139 2.164 . 0 0 "[ . 1 . 2]" 1
1778 1 94 PHE HB2 1 95 THR H . . 4.650 4.519 4.443 4.555 . 0 0 "[ . 1 . 2]" 1
1779 1 94 PHE HB2 1 96 VAL MG2 . . 4.460 3.982 3.773 4.139 . 0 0 "[ . 1 . 2]" 1
1780 1 94 PHE HB3 1 95 THR H . . 3.810 3.707 3.494 3.810 0.000 2 0 "[ . 1 . 2]" 1
1781 1 94 PHE HB3 1 96 VAL HA . . 5.500 5.352 5.205 5.462 . 0 0 "[ . 1 . 2]" 1
1782 1 94 PHE HB3 1 96 VAL MG2 . . 3.940 2.923 2.786 3.037 . 0 0 "[ . 1 . 2]" 1
1783 1 94 PHE QD 1 95 THR H . . 4.640 4.509 4.397 4.574 . 0 0 "[ . 1 . 2]" 1
1784 1 94 PHE QD 1 96 VAL MG2 . . 4.530 3.803 3.677 3.992 . 0 0 "[ . 1 . 2]" 1
1785 1 95 THR H 1 95 THR HB . . 2.950 2.604 2.479 2.774 . 0 0 "[ . 1 . 2]" 1
1786 1 95 THR H 1 95 THR MG . . 4.070 3.802 3.780 3.823 . 0 0 "[ . 1 . 2]" 1
1787 1 95 THR H 1 96 VAL H . . 5.180 4.302 4.219 4.398 . 0 0 "[ . 1 . 2]" 1
1788 1 95 THR HA 1 95 THR MG . . 3.680 2.318 2.139 2.449 . 0 0 "[ . 1 . 2]" 1
1789 1 95 THR HA 1 96 VAL H . . 2.860 2.163 2.145 2.189 . 0 0 "[ . 1 . 2]" 1
1790 1 95 THR HA 1 96 VAL MG2 . . 4.050 3.767 3.629 3.956 . 0 0 "[ . 1 . 2]" 1
1791 1 95 THR HB 1 96 VAL H . . 4.480 4.333 4.240 4.428 . 0 0 "[ . 1 . 2]" 1
1792 1 95 THR MG 1 96 VAL H . . 3.630 3.056 2.888 3.170 . 0 0 "[ . 1 . 2]" 1
1793 1 95 THR MG 1 97 LYS HB2 . . 5.220 4.759 4.386 5.120 . 0 0 "[ . 1 . 2]" 1
1794 1 95 THR MG 1 97 LYS QE . . 4.380 3.251 2.129 3.836 . 0 0 "[ . 1 . 2]" 1
1795 1 95 THR MG 1 97 LYS HG2 . . 4.500 3.964 2.908 4.476 . 0 0 "[ . 1 . 2]" 1
1796 1 95 THR MG 1 97 LYS QG . . 3.720 3.158 2.660 3.659 . 0 0 "[ . 1 . 2]" 1
1797 1 95 THR MG 1 97 LYS HG3 . . 4.500 3.444 2.769 4.276 . 0 0 "[ . 1 . 2]" 1
1798 1 96 VAL H 1 96 VAL HB . . 3.370 2.575 2.488 2.633 . 0 0 "[ . 1 . 2]" 1
1799 1 96 VAL H 1 96 VAL MG2 . . 3.300 2.505 2.287 2.777 . 0 0 "[ . 1 . 2]" 1
1800 1 96 VAL H 1 97 LYS H . . 4.620 4.323 4.174 4.442 . 0 0 "[ . 1 . 2]" 1
1801 1 96 VAL HA 1 96 VAL MG1 . . 3.440 2.404 2.266 2.478 . 0 0 "[ . 1 . 2]" 1
1802 1 96 VAL HA 1 96 VAL MG2 . . 3.330 2.416 2.287 2.519 . 0 0 "[ . 1 . 2]" 1
1803 1 96 VAL HA 1 97 LYS H . . 2.720 2.146 2.139 2.169 . 0 0 "[ . 1 . 2]" 1
1804 1 96 VAL HA 1 97 LYS HB2 . . 4.400 4.314 4.268 4.367 . 0 0 "[ . 1 . 2]" 1
1805 1 96 VAL HB 1 98 ILE MD . . 4.630 3.853 3.508 4.112 . 0 0 "[ . 1 . 2]" 1
1806 1 96 VAL MG1 1 97 LYS H . . 3.350 2.840 2.419 3.162 . 0 0 "[ . 1 . 2]" 1
1807 1 96 VAL MG1 1 98 ILE H . . 4.830 4.095 3.716 4.403 . 0 0 "[ . 1 . 2]" 1
1808 1 96 VAL MG1 1 98 ILE MD . . 3.050 2.215 2.004 2.429 . 0 0 "[ . 1 . 2]" 1
1809 1 96 VAL MG1 1 98 ILE HG12 . . 3.670 3.073 2.637 3.367 . 0 0 "[ . 1 . 2]" 1
1810 1 96 VAL MG2 1 97 LYS H . . 4.280 4.140 4.018 4.229 . 0 0 "[ . 1 . 2]" 1
1811 1 97 LYS H 1 97 LYS HB2 . . 3.060 2.228 2.183 2.274 . 0 0 "[ . 1 . 2]" 1
1812 1 97 LYS H 1 97 LYS HB3 . . 3.550 3.508 3.486 3.549 . 0 0 "[ . 1 . 2]" 1
1813 1 97 LYS H 1 97 LYS QD . . 4.780 3.787 2.216 4.648 . 0 0 "[ . 1 . 2]" 1
1814 1 97 LYS H 1 97 LYS HG2 . . 4.650 3.998 3.179 4.360 . 0 0 "[ . 1 . 2]" 1
1815 1 97 LYS H 1 97 LYS QG . . 4.000 3.206 2.932 3.695 . 0 0 "[ . 1 . 2]" 1
1816 1 97 LYS H 1 97 LYS HG3 . . 4.650 3.466 3.051 4.089 . 0 0 "[ . 1 . 2]" 1
1817 1 97 LYS H 1 98 ILE H . . 4.470 4.392 4.276 4.468 . 0 0 "[ . 1 . 2]" 1
1818 1 97 LYS H 1 98 ILE MD . . 4.890 4.542 4.189 4.848 . 0 0 "[ . 1 . 2]" 1
1819 1 97 LYS HB2 1 97 LYS QE . . 5.000 3.704 2.414 4.176 . 0 0 "[ . 1 . 2]" 1
1820 1 97 LYS HB2 1 98 ILE H . . 4.550 4.484 4.381 4.548 . 0 0 "[ . 1 . 2]" 1
1821 1 97 LYS HB3 1 98 ILE H . . 3.990 3.609 3.404 3.794 . 0 0 "[ . 1 . 2]" 1
1822 1 98 ILE H 1 98 ILE HB . . 3.360 2.508 2.430 2.583 . 0 0 "[ . 1 . 2]" 1
1823 1 98 ILE H 1 98 ILE MD . . 4.140 3.480 3.290 3.579 . 0 0 "[ . 1 . 2]" 1
1824 1 98 ILE H 1 98 ILE HG12 . . 3.720 2.568 2.340 2.776 . 0 0 "[ . 1 . 2]" 1
1825 1 98 ILE H 1 98 ILE HG13 . . 4.250 3.936 3.779 4.134 . 0 0 "[ . 1 . 2]" 1
1826 1 98 ILE H 1 98 ILE MG . . 4.100 3.789 3.752 3.821 . 0 0 "[ . 1 . 2]" 1
1827 1 98 ILE H 1 99 SER H . . 4.680 4.476 4.348 4.587 . 0 0 "[ . 1 . 2]" 1
1828 1 98 ILE HA 1 98 ILE MD . . 3.200 2.027 1.936 2.127 . 0 0 "[ . 1 . 2]" 1
1829 1 98 ILE HA 1 98 ILE MG . . 3.570 2.374 2.317 2.454 . 0 0 "[ . 1 . 2]" 1
1830 1 98 ILE HA 1 99 SER H . . 2.840 2.163 2.139 2.217 . 0 0 "[ . 1 . 2]" 1
1831 1 98 ILE HA 1 99 SER QB . . 4.610 4.293 4.022 4.526 . 0 0 "[ . 1 . 2]" 1
1832 1 98 ILE HB 1 98 ILE MD . . 3.730 3.228 3.222 3.231 . 0 0 "[ . 1 . 2]" 1
1833 1 98 ILE HB 1 99 SER H . . 4.480 4.157 3.980 4.298 . 0 0 "[ . 1 . 2]" 1
1834 1 98 ILE MD 1 99 SER H . . 3.700 3.542 3.264 3.689 . 0 0 "[ . 1 . 2]" 1
1835 1 98 ILE HG12 1 98 ILE MG . . 3.700 3.190 3.182 3.203 . 0 0 "[ . 1 . 2]" 1
1836 1 98 ILE HG12 1 99 SER H . . 5.250 5.071 4.984 5.164 . 0 0 "[ . 1 . 2]" 1
1837 1 98 ILE HG13 1 98 ILE MG . . 3.290 2.299 2.227 2.381 . 0 0 "[ . 1 . 2]" 1
1838 1 98 ILE HG13 1 99 SER H . . 5.440 5.301 5.100 5.441 0.001 14 0 "[ . 1 . 2]" 1
1839 1 98 ILE MG 1 99 SER H . . 3.610 2.398 1.970 2.791 . 0 0 "[ . 1 . 2]" 1
1840 1 98 ILE MG 1 99 SER QB . . 4.630 3.844 3.392 4.312 . 0 0 "[ . 1 . 2]" 1
1841 1 99 SER H 1 99 SER HB2 . . 3.820 2.495 2.201 2.702 . 0 0 "[ . 1 . 2]" 1
1842 1 99 SER H 1 99 SER QB . . 3.300 2.392 2.179 2.569 . 0 0 "[ . 1 . 2]" 1
1843 1 99 SER H 1 99 SER HB3 . . 3.820 3.314 2.417 3.729 . 0 0 "[ . 1 . 2]" 1
1844 1 99 SER H 1 100 GLY QA . . 5.340 4.647 4.220 4.920 . 0 0 "[ . 1 . 2]" 1
1845 1 99 SER QB 1 100 GLY H . . 3.310 2.571 1.900 3.235 . 0 0 "[ . 1 . 2]" 1
1846 1 99 SER HB2 1 100 GLY H . . 4.150 3.416 1.918 4.138 . 0 0 "[ . 1 . 2]" 1
1847 1 99 SER HB3 1 100 GLY H . . 4.150 2.857 2.002 3.398 . 0 0 "[ . 1 . 2]" 1
1848 1 100 GLY H 1 101 GLU H . . 4.720 3.652 2.513 4.636 . 0 0 "[ . 1 . 2]" 1
1849 1 100 GLY QA 1 101 GLU QG . . 4.700 4.071 3.479 4.682 . 0 0 "[ . 1 . 2]" 1
1850 1 101 GLU H 1 101 GLU QB . . 3.420 2.546 2.274 3.329 . 0 0 "[ . 1 . 2]" 1
1851 1 101 GLU H 1 101 GLU QG . . 4.130 2.690 1.997 3.715 . 0 0 "[ . 1 . 2]" 1
1852 1 101 GLU HA 1 101 GLU QG . . 3.710 2.676 2.228 3.339 . 0 0 "[ . 1 . 2]" 1
1853 1 102 GLY QA 1 103 ARG QB . . 4.600 4.053 3.700 4.405 . 0 0 "[ . 1 . 2]" 1
1854 1 102 GLY QA 1 103 ARG QG . . 5.340 4.427 3.252 5.340 . 0 0 "[ . 1 . 2]" 1
1855 1 103 ARG H 1 103 ARG QB . . 3.620 2.563 2.127 3.338 . 0 0 "[ . 1 . 2]" 1
1856 1 103 ARG H 1 103 ARG QG . . 4.300 3.228 1.919 4.174 . 0 0 "[ . 1 . 2]" 1
1857 1 103 ARG HA 1 103 ARG QD . . 5.020 3.803 2.390 4.400 . 0 0 "[ . 1 . 2]" 1
1858 1 103 ARG HA 1 103 ARG QG . . 3.620 2.640 2.193 3.441 . 0 0 "[ . 1 . 2]" 1
1859 1 103 ARG HA 1 104 VAL H . . 3.110 2.250 2.143 2.452 . 0 0 "[ . 1 . 2]" 1
1860 1 103 ARG QB 1 103 ARG QD . . 3.410 2.182 2.081 2.520 . 0 0 "[ . 1 . 2]" 1
1861 1 103 ARG QB 1 104 VAL H . . 3.890 3.148 2.328 3.884 . 0 0 "[ . 1 . 2]" 1
1862 1 103 ARG HB2 1 104 VAL H . . 4.570 3.781 2.351 4.568 . 0 0 "[ . 1 . 2]" 1
1863 1 103 ARG HB3 1 104 VAL H . . 4.570 3.672 2.766 4.347 . 0 0 "[ . 1 . 2]" 1
1864 1 104 VAL H 1 104 VAL HB . . 3.620 3.050 2.419 3.627 0.007 7 0 "[ . 1 . 2]" 1
1865 1 104 VAL H 1 104 VAL MG1 . . 4.300 2.679 1.919 3.787 . 0 0 "[ . 1 . 2]" 1
1866 1 104 VAL H 1 104 VAL MG2 . . 4.300 2.675 1.885 3.977 . 0 0 "[ . 1 . 2]" 1
1867 1 104 VAL HA 1 104 VAL MG1 . . 3.700 2.581 2.137 3.204 . 0 0 "[ . 1 . 2]" 1
1868 1 104 VAL HA 1 104 VAL MG2 . . 3.700 2.679 2.235 3.199 . 0 0 "[ . 1 . 2]" 1
1869 1 107 GLY H 1 108 PRO HA . . 4.500 4.311 4.159 4.467 . 0 0 "[ . 1 . 2]" 1
1870 1 107 GLY QA 1 108 PRO QD . . 3.290 1.982 1.869 2.178 . 0 0 "[ . 1 . 2]" 1
stop_
save_