Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
599623 | 2n9i RC | 25907 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n9i
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 1730
_Distance_constraint_stats_list.Viol_count 601
_Distance_constraint_stats_list.Viol_total 70.464
_Distance_constraint_stats_list.Viol_max 0.153
_Distance_constraint_stats_list.Viol_rms 0.0018
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0059
_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 1 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 VAL 0.005 0.002 10 0 "[ . 1 . 2]"
1 4 GLU 0.001 0.001 12 0 "[ . 1 . 2]"
1 5 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 GLY 0.001 0.001 5 0 "[ . 1 . 2]"
1 7 LYS 0.011 0.004 15 0 "[ . 1 . 2]"
1 8 LYS 0.036 0.018 5 0 "[ . 1 . 2]"
1 9 ILE 0.130 0.020 17 0 "[ . 1 . 2]"
1 10 PHE 0.231 0.153 15 0 "[ . 1 . 2]"
1 11 ILE 0.018 0.018 5 0 "[ . 1 . 2]"
1 12 MET 0.111 0.060 20 0 "[ . 1 . 2]"
1 13 LYS 0.314 0.072 15 0 "[ . 1 . 2]"
1 14 CYS 0.012 0.009 14 0 "[ . 1 . 2]"
1 15 SER 0.034 0.009 14 0 "[ . 1 . 2]"
1 16 GLN 0.001 0.001 8 0 "[ . 1 . 2]"
1 17 CYS 0.039 0.007 20 0 "[ . 1 . 2]"
1 18 HIS 0.235 0.039 12 0 "[ . 1 . 2]"
1 19 THR 0.014 0.009 8 0 "[ . 1 . 2]"
1 20 VAL 0.234 0.153 15 0 "[ . 1 . 2]"
1 21 GLU 0.033 0.008 11 0 "[ . 1 . 2]"
1 22 LYS 0.014 0.008 11 0 "[ . 1 . 2]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LYS 0.041 0.007 18 0 "[ . 1 . 2]"
1 26 HIS 0.078 0.019 13 0 "[ . 1 . 2]"
1 27 LYS 0.033 0.007 20 0 "[ . 1 . 2]"
1 28 THR 0.003 0.003 12 0 "[ . 1 . 2]"
1 29 GLY 0.151 0.023 14 0 "[ . 1 . 2]"
1 30 PRO 0.122 0.039 12 0 "[ . 1 . 2]"
1 31 ASN 0.019 0.006 8 0 "[ . 1 . 2]"
1 32 LEU 0.044 0.012 19 0 "[ . 1 . 2]"
1 33 HIS 0.029 0.012 19 0 "[ . 1 . 2]"
1 34 GLY 0.000 0.000 17 0 "[ . 1 . 2]"
1 35 LEU 0.025 0.004 4 0 "[ . 1 . 2]"
1 36 PHE 0.044 0.006 16 0 "[ . 1 . 2]"
1 37 GLY 0.010 0.002 17 0 "[ . 1 . 2]"
1 38 ARG 0.018 0.004 17 0 "[ . 1 . 2]"
1 39 LYS 0.016 0.006 7 0 "[ . 1 . 2]"
1 40 THR 0.017 0.005 14 0 "[ . 1 . 2]"
1 41 GLY 0.004 0.003 18 0 "[ . 1 . 2]"
1 42 GLN 0.007 0.004 19 0 "[ . 1 . 2]"
1 43 ALA 0.004 0.004 6 0 "[ . 1 . 2]"
1 44 PRO 0.011 0.005 8 0 "[ . 1 . 2]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 TYR 0.146 0.026 12 0 "[ . 1 . 2]"
1 47 SER 0.365 0.036 10 0 "[ . 1 . 2]"
1 48 TYR 0.519 0.036 10 0 "[ . 1 . 2]"
1 49 THR 0.033 0.010 8 0 "[ . 1 . 2]"
1 50 ALA 0.050 0.010 17 0 "[ . 1 . 2]"
1 51 ALA 0.001 0.001 2 0 "[ . 1 . 2]"
1 52 ASN 0.043 0.015 11 0 "[ . 1 . 2]"
1 53 LYS 0.068 0.011 13 0 "[ . 1 . 2]"
1 54 ASN 0.023 0.011 13 0 "[ . 1 . 2]"
1 55 LYS 0.009 0.003 17 0 "[ . 1 . 2]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ILE 0.034 0.007 11 0 "[ . 1 . 2]"
1 58 ILE 0.049 0.006 20 0 "[ . 1 . 2]"
1 59 TRP 0.010 0.002 16 0 "[ . 1 . 2]"
1 60 GLY 0.001 0.001 3 0 "[ . 1 . 2]"
1 61 GLU 0.035 0.024 11 0 "[ . 1 . 2]"
1 62 ASP 0.036 0.024 11 0 "[ . 1 . 2]"
1 63 THR 0.033 0.017 11 0 "[ . 1 . 2]"
1 64 LEU 0.026 0.017 11 0 "[ . 1 . 2]"
1 65 MET 0.076 0.013 2 0 "[ . 1 . 2]"
1 66 GLU 0.016 0.013 2 0 "[ . 1 . 2]"
1 67 TYR 0.022 0.008 11 0 "[ . 1 . 2]"
1 68 LEU 0.006 0.003 16 0 "[ . 1 . 2]"
1 69 GLU 0.394 0.074 4 0 "[ . 1 . 2]"
1 70 ASN 0.012 0.007 17 0 "[ . 1 . 2]"
1 71 PRO 0.000 0.000 20 0 "[ . 1 . 2]"
1 72 LYS 0.132 0.029 17 0 "[ . 1 . 2]"
1 73 LYS 0.040 0.013 19 0 "[ . 1 . 2]"
1 74 TYR 0.025 0.008 11 0 "[ . 1 . 2]"
1 75 ILE 0.049 0.015 11 0 "[ . 1 . 2]"
1 76 PRO 0.000 0.000 13 0 "[ . 1 . 2]"
1 77 GLY 0.010 0.003 4 0 "[ . 1 . 2]"
1 78 THR 0.004 0.003 5 0 "[ . 1 . 2]"
1 79 LYS 0.024 0.010 8 0 "[ . 1 . 2]"
1 80 MET 0.003 0.002 4 0 "[ . 1 . 2]"
1 81 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 PHE 0.019 0.004 2 0 "[ . 1 . 2]"
1 83 VAL 0.037 0.029 2 0 "[ . 1 . 2]"
1 84 GLY 0.029 0.029 2 0 "[ . 1 . 2]"
1 85 ILE 0.032 0.013 10 0 "[ . 1 . 2]"
1 86 LYS 0.014 0.007 14 0 "[ . 1 . 2]"
1 87 LYS 0.017 0.007 14 0 "[ . 1 . 2]"
1 88 LYS 0.062 0.046 10 0 "[ . 1 . 2]"
1 89 GLU 0.134 0.067 10 0 "[ . 1 . 2]"
1 90 GLU 0.334 0.067 10 0 "[ . 1 . 2]"
1 91 ARG 0.127 0.046 10 0 "[ . 1 . 2]"
1 92 ALA 0.017 0.010 2 0 "[ . 1 . 2]"
1 93 ASP 0.018 0.012 16 0 "[ . 1 . 2]"
1 94 LEU 0.098 0.036 17 0 "[ . 1 . 2]"
1 95 ILE 0.082 0.022 11 0 "[ . 1 . 2]"
1 96 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 TYR 0.054 0.005 7 0 "[ . 1 . 2]"
1 98 LEU 0.052 0.005 16 0 "[ . 1 . 2]"
1 99 LYS 0.025 0.006 16 0 "[ . 1 . 2]"
1 100 LYS 0.022 0.008 15 0 "[ . 1 . 2]"
1 101 ALA 0.036 0.018 15 0 "[ . 1 . 2]"
1 102 THR 0.054 0.018 15 0 "[ . 1 . 2]"
1 103 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 GLU 0.004 0.003 5 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 1 GLY QA 1 96 ALA H . . 4.380 3.968 3.377 4.358 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLY QA 1 96 ALA MB . . 3.360 2.100 1.836 2.460 . 0 0 "[ . 1 . 2]" 1
3 1 1 GLY QA 1 97 TYR H . . 5.050 4.842 4.610 5.032 . 0 0 "[ . 1 . 2]" 1
4 1 1 GLY HA2 1 93 ASP HA . . 3.950 2.160 1.999 2.983 . 0 0 "[ . 1 . 2]" 1
5 1 1 GLY HA2 1 96 ALA MB . . 3.840 2.531 2.051 3.160 . 0 0 "[ . 1 . 2]" 1
6 1 1 GLY HA3 1 93 ASP HA . . 3.950 3.488 2.960 3.881 . 0 0 "[ . 1 . 2]" 1
7 1 1 GLY HA3 1 96 ALA MB . . 3.840 2.357 1.909 3.404 . 0 0 "[ . 1 . 2]" 1
8 1 2 ASP H 1 93 ASP HA . . 4.090 3.179 2.167 4.083 . 0 0 "[ . 1 . 2]" 1
9 1 2 ASP HA 1 3 VAL H . . 2.970 2.316 2.251 2.595 . 0 0 "[ . 1 . 2]" 1
10 1 2 ASP HA 1 3 VAL QG . . 4.180 3.574 3.142 4.012 . 0 0 "[ . 1 . 2]" 1
11 1 2 ASP HA 1 4 GLU H . . 4.810 3.835 3.265 4.484 . 0 0 "[ . 1 . 2]" 1
12 1 2 ASP HA 1 5 LYS H . . 5.500 4.551 4.210 5.047 . 0 0 "[ . 1 . 2]" 1
13 1 2 ASP QB 1 4 GLU H . . 5.210 3.463 2.423 4.276 . 0 0 "[ . 1 . 2]" 1
14 1 2 ASP QB 1 5 LYS H . . 4.080 2.478 2.049 3.204 . 0 0 "[ . 1 . 2]" 1
15 1 2 ASP QB 1 5 LYS QB . . 3.690 2.121 1.946 2.567 . 0 0 "[ . 1 . 2]" 1
16 1 2 ASP QB 1 5 LYS QG . . 4.300 3.066 2.156 3.880 . 0 0 "[ . 1 . 2]" 1
17 1 2 ASP HB2 1 5 LYS H . . 4.770 3.676 2.909 4.396 . 0 0 "[ . 1 . 2]" 1
18 1 2 ASP HB2 1 5 LYS QB . . 4.220 2.717 2.070 3.892 . 0 0 "[ . 1 . 2]" 1
19 1 2 ASP HB3 1 5 LYS H . . 4.770 2.529 2.064 3.299 . 0 0 "[ . 1 . 2]" 1
20 1 2 ASP HB3 1 5 LYS QB . . 4.220 2.421 1.994 3.091 . 0 0 "[ . 1 . 2]" 1
21 1 3 VAL H 1 3 VAL HB . . 3.700 2.728 2.179 3.607 . 0 0 "[ . 1 . 2]" 1
22 1 3 VAL H 1 3 VAL MG1 . . 3.730 2.496 1.863 3.731 0.001 14 0 "[ . 1 . 2]" 1
23 1 3 VAL H 1 3 VAL QG . . 3.010 2.095 1.850 2.702 . 0 0 "[ . 1 . 2]" 1
24 1 3 VAL H 1 3 VAL MG2 . . 3.730 3.171 1.936 3.732 0.002 18 0 "[ . 1 . 2]" 1
25 1 3 VAL H 1 4 GLU H . . 3.790 2.315 1.911 2.684 . 0 0 "[ . 1 . 2]" 1
26 1 3 VAL H 1 4 GLU HA . . 5.150 4.861 4.533 5.148 . 0 0 "[ . 1 . 2]" 1
27 1 3 VAL H 1 96 ALA MB . . 4.910 4.427 3.862 4.866 . 0 0 "[ . 1 . 2]" 1
28 1 3 VAL H 1 97 TYR HA . . 5.190 5.085 4.585 5.192 0.002 10 0 "[ . 1 . 2]" 1
29 1 3 VAL HA 1 3 VAL MG1 . . 3.380 2.910 2.233 3.218 . 0 0 "[ . 1 . 2]" 1
30 1 3 VAL HA 1 3 VAL QG . . 2.910 2.277 2.062 2.488 . 0 0 "[ . 1 . 2]" 1
31 1 3 VAL HA 1 3 VAL MG2 . . 3.380 2.465 2.158 3.213 . 0 0 "[ . 1 . 2]" 1
32 1 3 VAL HA 1 7 LYS H . . 4.490 4.097 3.774 4.464 . 0 0 "[ . 1 . 2]" 1
33 1 3 VAL HA 1 96 ALA MB . . 4.630 3.538 3.011 4.060 . 0 0 "[ . 1 . 2]" 1
34 1 3 VAL HA 1 97 TYR H . . 4.490 3.269 2.684 4.121 . 0 0 "[ . 1 . 2]" 1
35 1 3 VAL HA 1 97 TYR HA . . 3.420 2.555 2.168 2.844 . 0 0 "[ . 1 . 2]" 1
36 1 3 VAL HA 1 97 TYR HD1 . . 3.930 3.589 3.239 3.906 . 0 0 "[ . 1 . 2]" 1
37 1 3 VAL HB 1 4 GLU H . . 4.400 3.714 2.409 4.336 . 0 0 "[ . 1 . 2]" 1
38 1 3 VAL HB 1 97 TYR HA . . 4.290 3.427 2.067 4.291 0.001 7 0 "[ . 1 . 2]" 1
39 1 3 VAL HB 1 97 TYR HD1 . . 5.100 4.482 2.645 5.092 . 0 0 "[ . 1 . 2]" 1
40 1 3 VAL QG 1 4 GLU H . . 3.540 2.469 1.925 3.255 . 0 0 "[ . 1 . 2]" 1
41 1 3 VAL QG 1 4 GLU HA . . 4.080 3.206 2.953 3.752 . 0 0 "[ . 1 . 2]" 1
42 1 3 VAL QG 1 7 LYS H . . 4.880 4.205 3.939 4.519 . 0 0 "[ . 1 . 2]" 1
43 1 3 VAL QG 1 97 TYR H . . 4.940 3.917 3.029 4.539 . 0 0 "[ . 1 . 2]" 1
44 1 3 VAL QG 1 97 TYR HA . . 3.270 2.126 1.789 2.467 . 0 0 "[ . 1 . 2]" 1
45 1 3 VAL QG 1 97 TYR HB2 . . 4.730 3.137 2.621 3.842 . 0 0 "[ . 1 . 2]" 1
46 1 3 VAL QG 1 97 TYR HB3 . . 4.620 4.234 3.740 4.619 . 0 0 "[ . 1 . 2]" 1
47 1 3 VAL QG 1 97 TYR HD1 . . 3.600 2.244 1.982 3.501 . 0 0 "[ . 1 . 2]" 1
48 1 3 VAL QG 1 97 TYR HE1 . . 4.880 3.970 3.606 4.839 . 0 0 "[ . 1 . 2]" 1
49 1 3 VAL QG 1 100 LYS QB . . 3.950 2.139 1.734 2.639 . 0 0 "[ . 1 . 2]" 1
50 1 3 VAL MG1 1 4 GLU H . . 4.310 2.719 1.932 3.881 . 0 0 "[ . 1 . 2]" 1
51 1 3 VAL MG2 1 4 GLU H . . 4.310 3.618 1.938 4.148 . 0 0 "[ . 1 . 2]" 1
52 1 4 GLU H 1 4 GLU HB2 . . 3.690 2.415 2.135 3.551 . 0 0 "[ . 1 . 2]" 1
53 1 4 GLU H 1 4 GLU QB . . 2.930 2.275 2.081 2.453 . 0 0 "[ . 1 . 2]" 1
54 1 4 GLU H 1 4 GLU HB3 . . 3.690 3.135 2.457 3.589 . 0 0 "[ . 1 . 2]" 1
55 1 4 GLU H 1 4 GLU QG . . 4.080 3.025 2.079 4.050 . 0 0 "[ . 1 . 2]" 1
56 1 4 GLU HA 1 4 GLU QG . . 3.760 2.555 2.182 3.332 . 0 0 "[ . 1 . 2]" 1
57 1 4 GLU HA 1 6 GLY H . . 5.500 5.039 4.639 5.358 . 0 0 "[ . 1 . 2]" 1
58 1 4 GLU HA 1 7 LYS H . . 3.730 3.642 3.437 3.717 . 0 0 "[ . 1 . 2]" 1
59 1 4 GLU HA 1 7 LYS HA . . 5.500 5.422 5.087 5.501 0.001 12 0 "[ . 1 . 2]" 1
60 1 4 GLU HA 1 7 LYS QB . . 3.790 2.581 2.180 2.830 . 0 0 "[ . 1 . 2]" 1
61 1 4 GLU HA 1 7 LYS QG . . 5.070 4.308 3.729 4.810 . 0 0 "[ . 1 . 2]" 1
62 1 4 GLU QB 1 5 LYS H . . 3.400 2.466 2.185 3.343 . 0 0 "[ . 1 . 2]" 1
63 1 4 GLU HB2 1 4 GLU QG . . 2.760 2.364 2.196 2.497 . 0 0 "[ . 1 . 2]" 1
64 1 4 GLU HB2 1 5 LYS H . . 3.940 3.027 2.233 3.878 . 0 0 "[ . 1 . 2]" 1
65 1 4 GLU HB3 1 4 GLU QG . . 2.760 2.347 2.196 2.485 . 0 0 "[ . 1 . 2]" 1
66 1 4 GLU HB3 1 5 LYS H . . 3.940 3.014 2.204 3.936 . 0 0 "[ . 1 . 2]" 1
67 1 4 GLU QG 1 5 LYS H . . 4.550 3.887 1.847 4.507 . 0 0 "[ . 1 . 2]" 1
68 1 5 LYS H 1 5 LYS QB . . 3.360 2.288 2.113 2.559 . 0 0 "[ . 1 . 2]" 1
69 1 5 LYS H 1 5 LYS QD . . 4.020 2.977 1.862 3.967 . 0 0 "[ . 1 . 2]" 1
70 1 5 LYS H 1 5 LYS HG2 . . 4.190 2.921 2.011 4.139 . 0 0 "[ . 1 . 2]" 1
71 1 5 LYS H 1 5 LYS QG . . 3.490 2.687 1.999 3.482 . 0 0 "[ . 1 . 2]" 1
72 1 5 LYS H 1 5 LYS HG3 . . 4.190 3.576 3.317 3.981 . 0 0 "[ . 1 . 2]" 1
73 1 5 LYS H 1 6 GLY H . . 3.180 2.821 2.621 3.054 . 0 0 "[ . 1 . 2]" 1
74 1 5 LYS HA 1 5 LYS QD . . 3.560 2.359 2.019 3.035 . 0 0 "[ . 1 . 2]" 1
75 1 5 LYS HA 1 5 LYS QE . . 4.820 3.784 2.025 4.771 . 0 0 "[ . 1 . 2]" 1
76 1 5 LYS HA 1 5 LYS HG2 . . 3.710 3.122 2.516 3.617 . 0 0 "[ . 1 . 2]" 1
77 1 5 LYS HA 1 5 LYS QG . . 3.160 2.550 2.055 3.145 . 0 0 "[ . 1 . 2]" 1
78 1 5 LYS HA 1 5 LYS HG3 . . 3.710 3.122 2.072 3.704 . 0 0 "[ . 1 . 2]" 1
79 1 5 LYS QB 1 6 GLY H . . 3.650 2.400 2.156 2.590 . 0 0 "[ . 1 . 2]" 1
80 1 5 LYS QB 1 6 GLY HA2 . . 5.210 3.880 3.820 3.951 . 0 0 "[ . 1 . 2]" 1
81 1 5 LYS QB 1 6 GLY QA . . 4.470 3.589 3.533 3.669 . 0 0 "[ . 1 . 2]" 1
82 1 5 LYS QB 1 6 GLY HA3 . . 5.210 4.231 4.126 4.352 . 0 0 "[ . 1 . 2]" 1
83 1 5 LYS QB 1 93 ASP QB . . 4.170 3.437 2.903 4.042 . 0 0 "[ . 1 . 2]" 1
84 1 5 LYS QE 1 5 LYS HG2 . . 3.600 2.705 2.253 3.338 . 0 0 "[ . 1 . 2]" 1
85 1 5 LYS QE 1 5 LYS QG . . 3.060 2.320 2.117 2.577 . 0 0 "[ . 1 . 2]" 1
86 1 5 LYS QE 1 5 LYS HG3 . . 3.600 2.725 2.220 3.463 . 0 0 "[ . 1 . 2]" 1
87 1 5 LYS QG 1 6 GLY H . . 4.870 4.180 3.749 4.487 . 0 0 "[ . 1 . 2]" 1
88 1 6 GLY H 1 7 LYS H . . 3.180 2.819 2.692 2.947 . 0 0 "[ . 1 . 2]" 1
89 1 6 GLY H 1 9 ILE MD . . 4.660 3.172 2.842 3.430 . 0 0 "[ . 1 . 2]" 1
90 1 6 GLY H 1 93 ASP QB . . 3.830 3.267 2.605 3.812 . 0 0 "[ . 1 . 2]" 1
91 1 6 GLY H 1 94 LEU HA . . 4.480 4.338 3.763 4.481 0.001 5 0 "[ . 1 . 2]" 1
92 1 6 GLY QA 1 7 LYS HA . . 4.930 4.040 4.030 4.069 . 0 0 "[ . 1 . 2]" 1
93 1 6 GLY QA 1 9 ILE H . . 4.180 3.503 3.253 3.716 . 0 0 "[ . 1 . 2]" 1
94 1 6 GLY QA 1 9 ILE HB . . 4.010 2.719 2.311 3.059 . 0 0 "[ . 1 . 2]" 1
95 1 6 GLY QA 1 9 ILE MD . . 3.450 1.827 1.764 1.942 . 0 0 "[ . 1 . 2]" 1
96 1 6 GLY QA 1 10 PHE QB . . 4.830 4.154 3.663 4.664 . 0 0 "[ . 1 . 2]" 1
97 1 6 GLY QA 1 93 ASP QB . . 4.040 3.199 2.637 3.608 . 0 0 "[ . 1 . 2]" 1
98 1 6 GLY QA 1 94 LEU HA . . 3.520 2.140 1.985 2.326 . 0 0 "[ . 1 . 2]" 1
99 1 6 GLY QA 1 94 LEU HB2 . . 4.720 3.511 3.092 3.984 . 0 0 "[ . 1 . 2]" 1
100 1 6 GLY QA 1 94 LEU QD . . 5.040 2.508 1.946 3.450 . 0 0 "[ . 1 . 2]" 1
101 1 6 GLY QA 1 97 TYR HB2 . . 4.180 2.486 2.148 3.061 . 0 0 "[ . 1 . 2]" 1
102 1 6 GLY HA2 1 9 ILE H . . 4.960 3.606 3.327 3.847 . 0 0 "[ . 1 . 2]" 1
103 1 6 GLY HA2 1 9 ILE HB . . 4.740 2.753 2.328 3.114 . 0 0 "[ . 1 . 2]" 1
104 1 6 GLY HA2 1 93 ASP QB . . 4.650 3.691 3.234 4.236 . 0 0 "[ . 1 . 2]" 1
105 1 6 GLY HA2 1 94 LEU HB2 . . 5.500 3.665 3.179 4.145 . 0 0 "[ . 1 . 2]" 1
106 1 6 GLY HA3 1 9 ILE H . . 4.960 4.766 4.590 4.914 . 0 0 "[ . 1 . 2]" 1
107 1 6 GLY HA3 1 9 ILE HB . . 4.740 4.246 3.869 4.492 . 0 0 "[ . 1 . 2]" 1
108 1 6 GLY HA3 1 93 ASP QB . . 4.650 3.521 2.774 4.001 . 0 0 "[ . 1 . 2]" 1
109 1 6 GLY HA3 1 94 LEU HB2 . . 5.500 4.504 4.102 5.159 . 0 0 "[ . 1 . 2]" 1
110 1 7 LYS H 1 7 LYS HB2 . . 3.380 2.706 2.215 2.989 . 0 0 "[ . 1 . 2]" 1
111 1 7 LYS H 1 7 LYS HB3 . . 3.380 2.354 2.143 2.799 . 0 0 "[ . 1 . 2]" 1
112 1 7 LYS H 1 7 LYS QD . . 4.600 4.484 4.366 4.591 . 0 0 "[ . 1 . 2]" 1
113 1 7 LYS H 1 7 LYS HG2 . . 5.150 4.277 4.023 4.559 . 0 0 "[ . 1 . 2]" 1
114 1 7 LYS H 1 7 LYS QG . . 4.360 3.855 3.745 3.977 . 0 0 "[ . 1 . 2]" 1
115 1 7 LYS H 1 7 LYS HG3 . . 5.150 4.406 4.147 4.553 . 0 0 "[ . 1 . 2]" 1
116 1 7 LYS H 1 8 LYS H . . 3.510 2.630 2.371 2.970 . 0 0 "[ . 1 . 2]" 1
117 1 7 LYS H 1 97 TYR HB2 . . 3.820 3.321 3.089 3.491 . 0 0 "[ . 1 . 2]" 1
118 1 7 LYS H 1 97 TYR HB3 . . 4.590 4.566 4.490 4.594 0.004 15 0 "[ . 1 . 2]" 1
119 1 7 LYS H 1 97 TYR HD1 . . 4.300 4.049 3.558 4.301 0.001 13 0 "[ . 1 . 2]" 1
120 1 7 LYS HA 1 7 LYS HG2 . . 4.130 3.313 2.093 3.880 . 0 0 "[ . 1 . 2]" 1
121 1 7 LYS HA 1 7 LYS QG . . 3.450 2.471 2.075 3.037 . 0 0 "[ . 1 . 2]" 1
122 1 7 LYS HA 1 7 LYS HG3 . . 4.130 2.616 2.183 3.396 . 0 0 "[ . 1 . 2]" 1
123 1 7 LYS HA 1 10 PHE H . . 4.560 3.759 3.287 4.180 . 0 0 "[ . 1 . 2]" 1
124 1 7 LYS HA 1 10 PHE HB2 . . 4.120 3.444 3.052 3.664 . 0 0 "[ . 1 . 2]" 1
125 1 7 LYS HA 1 10 PHE HB3 . . 4.120 3.359 2.963 3.577 . 0 0 "[ . 1 . 2]" 1
126 1 7 LYS HA 1 97 TYR HB2 . . 4.620 3.764 3.222 4.416 . 0 0 "[ . 1 . 2]" 1
127 1 7 LYS HA 1 97 TYR HB3 . . 4.950 4.324 3.758 4.899 . 0 0 "[ . 1 . 2]" 1
128 1 7 LYS HA 1 97 TYR HD1 . . 3.990 3.410 2.976 3.778 . 0 0 "[ . 1 . 2]" 1
129 1 7 LYS HA 1 97 TYR HD2 . . 4.380 3.809 3.483 4.117 . 0 0 "[ . 1 . 2]" 1
130 1 7 LYS HA 1 97 TYR HE1 . . 4.230 3.391 2.862 3.748 . 0 0 "[ . 1 . 2]" 1
131 1 7 LYS HA 1 97 TYR HE2 . . 4.260 3.790 3.491 4.260 . 0 0 "[ . 1 . 2]" 1
132 1 7 LYS QB 1 7 LYS QD . . 3.420 2.158 2.028 2.435 . 0 0 "[ . 1 . 2]" 1
133 1 7 LYS QB 1 8 LYS H . . 3.320 2.473 2.271 2.747 . 0 0 "[ . 1 . 2]" 1
134 1 7 LYS QB 1 97 TYR HD1 . . 3.730 2.373 1.994 3.193 . 0 0 "[ . 1 . 2]" 1
135 1 7 LYS HB2 1 8 LYS H . . 4.080 3.847 3.485 4.014 . 0 0 "[ . 1 . 2]" 1
136 1 7 LYS HB3 1 8 LYS H . . 4.080 2.504 2.293 2.797 . 0 0 "[ . 1 . 2]" 1
137 1 7 LYS QD 1 8 LYS H . . 5.070 4.521 3.520 5.039 . 0 0 "[ . 1 . 2]" 1
138 1 7 LYS QD 1 97 TYR HE1 . . 3.980 2.519 1.990 3.845 . 0 0 "[ . 1 . 2]" 1
139 1 7 LYS QE 1 7 LYS QG . . 3.370 2.268 2.021 2.656 . 0 0 "[ . 1 . 2]" 1
140 1 7 LYS QG 1 8 LYS H . . 4.600 3.175 2.345 4.306 . 0 0 "[ . 1 . 2]" 1
141 1 7 LYS QG 1 97 TYR HD1 . . 4.430 3.914 3.008 4.431 0.001 14 0 "[ . 1 . 2]" 1
142 1 7 LYS QG 1 97 TYR HE1 . . 4.220 2.642 2.006 4.047 . 0 0 "[ . 1 . 2]" 1
143 1 8 LYS H 1 8 LYS QB . . 3.140 2.225 2.069 2.579 . 0 0 "[ . 1 . 2]" 1
144 1 8 LYS H 1 8 LYS QD . . 4.770 3.992 2.038 4.600 . 0 0 "[ . 1 . 2]" 1
145 1 8 LYS H 1 8 LYS HG2 . . 4.610 3.670 2.217 4.585 . 0 0 "[ . 1 . 2]" 1
146 1 8 LYS H 1 8 LYS HG3 . . 4.610 3.500 1.989 4.447 . 0 0 "[ . 1 . 2]" 1
147 1 8 LYS H 1 9 ILE H . . 3.570 2.789 2.639 2.925 . 0 0 "[ . 1 . 2]" 1
148 1 8 LYS H 1 10 PHE H . . 5.150 5.007 4.631 5.167 0.017 14 0 "[ . 1 . 2]" 1
149 1 8 LYS H 1 11 ILE MD . . 4.750 3.564 2.985 4.768 0.018 5 0 "[ . 1 . 2]" 1
150 1 8 LYS HA 1 8 LYS QD . . 4.030 3.237 2.098 4.009 . 0 0 "[ . 1 . 2]" 1
151 1 8 LYS HA 1 8 LYS HG2 . . 4.000 2.763 2.123 3.733 . 0 0 "[ . 1 . 2]" 1
152 1 8 LYS HA 1 8 LYS HG3 . . 4.000 2.892 2.035 3.682 . 0 0 "[ . 1 . 2]" 1
153 1 8 LYS HA 1 11 ILE H . . 4.160 3.696 3.338 3.883 . 0 0 "[ . 1 . 2]" 1
154 1 8 LYS HA 1 11 ILE HB . . 4.040 2.368 2.178 2.671 . 0 0 "[ . 1 . 2]" 1
155 1 8 LYS HA 1 11 ILE MD . . 3.770 2.166 1.824 3.678 . 0 0 "[ . 1 . 2]" 1
156 1 8 LYS HA 1 11 ILE MG . . 3.870 3.323 3.069 3.683 . 0 0 "[ . 1 . 2]" 1
157 1 8 LYS HA 1 12 MET H . . 4.980 4.533 4.419 4.628 . 0 0 "[ . 1 . 2]" 1
158 1 8 LYS QB 1 9 ILE H . . 3.240 2.846 2.679 2.943 . 0 0 "[ . 1 . 2]" 1
159 1 9 ILE H 1 9 ILE HB . . 3.330 2.473 2.440 2.515 . 0 0 "[ . 1 . 2]" 1
160 1 9 ILE H 1 9 ILE MD . . 3.910 3.072 2.877 3.231 . 0 0 "[ . 1 . 2]" 1
161 1 9 ILE H 1 9 ILE HG12 . . 3.730 3.471 3.427 3.515 . 0 0 "[ . 1 . 2]" 1
162 1 9 ILE H 1 9 ILE HG13 . . 3.140 1.977 1.947 2.031 . 0 0 "[ . 1 . 2]" 1
163 1 9 ILE H 1 9 ILE MG . . 3.730 3.714 3.709 3.721 . 0 0 "[ . 1 . 2]" 1
164 1 9 ILE H 1 10 PHE H . . 3.660 2.989 2.825 3.143 . 0 0 "[ . 1 . 2]" 1
165 1 9 ILE HA 1 9 ILE MD . . 3.920 3.898 3.881 3.909 . 0 0 "[ . 1 . 2]" 1
166 1 9 ILE HA 1 9 ILE HG12 . . 3.570 2.819 2.710 2.954 . 0 0 "[ . 1 . 2]" 1
167 1 9 ILE HA 1 9 ILE HG13 . . 3.850 2.778 2.717 2.861 . 0 0 "[ . 1 . 2]" 1
168 1 9 ILE HA 1 9 ILE MG . . 3.310 2.377 2.277 2.454 . 0 0 "[ . 1 . 2]" 1
169 1 9 ILE HA 1 12 MET H . . 4.420 3.534 3.256 3.673 . 0 0 "[ . 1 . 2]" 1
170 1 9 ILE HA 1 12 MET QB . . 4.590 4.266 4.009 4.607 0.017 17 0 "[ . 1 . 2]" 1
171 1 9 ILE HA 1 12 MET ME . . 4.840 4.437 2.259 4.820 . 0 0 "[ . 1 . 2]" 1
172 1 9 ILE HA 1 13 LYS H . . 4.870 4.799 4.592 4.878 0.008 17 0 "[ . 1 . 2]" 1
173 1 9 ILE HB 1 9 ILE MD . . 3.150 2.071 1.976 2.169 . 0 0 "[ . 1 . 2]" 1
174 1 9 ILE HB 1 10 PHE H . . 3.710 2.073 1.967 2.322 . 0 0 "[ . 1 . 2]" 1
175 1 9 ILE HB 1 94 LEU QD . . 3.770 2.256 1.886 3.392 . 0 0 "[ . 1 . 2]" 1
176 1 9 ILE MD 1 10 PHE H . . 4.410 3.784 3.679 3.976 . 0 0 "[ . 1 . 2]" 1
177 1 9 ILE MD 1 10 PHE QD . . 5.500 5.493 5.449 5.508 0.008 15 0 "[ . 1 . 2]" 1
178 1 9 ILE MD 1 90 GLU QG . . 4.020 3.672 2.451 4.018 . 0 0 "[ . 1 . 2]" 1
179 1 9 ILE MD 1 93 ASP H . . 5.390 5.225 4.926 5.392 0.002 14 0 "[ . 1 . 2]" 1
180 1 9 ILE MD 1 93 ASP QB . . 3.780 3.428 3.119 3.759 . 0 0 "[ . 1 . 2]" 1
181 1 9 ILE MD 1 94 LEU H . . 3.980 3.802 3.392 3.981 0.001 13 0 "[ . 1 . 2]" 1
182 1 9 ILE MD 1 94 LEU HA . . 3.460 3.152 2.798 3.458 . 0 0 "[ . 1 . 2]" 1
183 1 9 ILE MD 1 94 LEU HB2 . . 4.130 2.843 2.262 3.250 . 0 0 "[ . 1 . 2]" 1
184 1 9 ILE MD 1 94 LEU HB3 . . 5.290 4.308 3.810 4.752 . 0 0 "[ . 1 . 2]" 1
185 1 9 ILE MD 1 94 LEU QD . . 3.200 2.440 1.972 3.194 . 0 0 "[ . 1 . 2]" 1
186 1 9 ILE HG12 1 9 ILE MG . . 3.010 2.245 2.128 2.367 . 0 0 "[ . 1 . 2]" 1
187 1 9 ILE HG12 1 10 PHE H . . 5.070 4.836 4.760 4.991 . 0 0 "[ . 1 . 2]" 1
188 1 9 ILE HG13 1 9 ILE MG . . 3.280 3.189 3.156 3.218 . 0 0 "[ . 1 . 2]" 1
189 1 9 ILE HG13 1 10 PHE H . . 4.230 4.199 4.161 4.231 0.001 12 0 "[ . 1 . 2]" 1
190 1 9 ILE MG 1 10 PHE H . . 4.270 2.943 2.705 3.242 . 0 0 "[ . 1 . 2]" 1
191 1 9 ILE MG 1 13 LYS H . . 4.730 4.348 4.182 4.486 . 0 0 "[ . 1 . 2]" 1
192 1 9 ILE MG 1 13 LYS HB2 . . 4.140 2.077 1.970 2.253 . 0 0 "[ . 1 . 2]" 1
193 1 9 ILE MG 1 13 LYS QB . . 3.440 1.928 1.829 2.068 . 0 0 "[ . 1 . 2]" 1
194 1 9 ILE MG 1 13 LYS HB3 . . 4.140 2.347 1.991 2.872 . 0 0 "[ . 1 . 2]" 1
195 1 9 ILE MG 1 13 LYS HE2 . . 4.670 3.888 2.969 4.673 0.003 5 0 "[ . 1 . 2]" 1
196 1 9 ILE MG 1 13 LYS QE . . 4.010 3.008 1.762 3.986 . 0 0 "[ . 1 . 2]" 1
197 1 9 ILE MG 1 13 LYS HE3 . . 4.670 3.203 1.772 4.325 . 0 0 "[ . 1 . 2]" 1
198 1 9 ILE MG 1 94 LEU HB2 . . 3.550 3.422 2.853 3.565 0.015 17 0 "[ . 1 . 2]" 1
199 1 9 ILE MG 1 94 LEU MD1 . . 3.480 2.592 1.777 3.500 0.020 17 0 "[ . 1 . 2]" 1
200 1 9 ILE MG 1 94 LEU QD . . 2.790 1.988 1.633 2.212 . 0 0 "[ . 1 . 2]" 1
201 1 9 ILE MG 1 94 LEU MD2 . . 3.480 2.413 1.636 3.482 0.002 2 0 "[ . 1 . 2]" 1
202 1 10 PHE H 1 10 PHE HB2 . . 3.540 1.955 1.941 1.978 . 0 0 "[ . 1 . 2]" 1
203 1 10 PHE H 1 10 PHE QB . . 3.040 1.927 1.914 1.952 . 0 0 "[ . 1 . 2]" 1
204 1 10 PHE H 1 10 PHE HB3 . . 3.540 2.928 2.845 3.009 . 0 0 "[ . 1 . 2]" 1
205 1 10 PHE H 1 94 LEU QD . . 3.650 2.349 1.916 3.373 . 0 0 "[ . 1 . 2]" 1
206 1 10 PHE H 1 97 TYR HB3 . . 5.500 5.375 4.960 5.492 . 0 0 "[ . 1 . 2]" 1
207 1 10 PHE HA 1 10 PHE QD . . 4.460 2.996 2.657 3.093 . 0 0 "[ . 1 . 2]" 1
208 1 10 PHE HA 1 13 LYS H . . 4.680 3.063 2.899 3.246 . 0 0 "[ . 1 . 2]" 1
209 1 10 PHE HA 1 14 CYS H . . 4.150 2.064 1.949 2.431 . 0 0 "[ . 1 . 2]" 1
210 1 10 PHE HA 1 14 CYS HB2 . . 3.880 3.524 3.131 3.882 0.002 14 0 "[ . 1 . 2]" 1
211 1 10 PHE HA 1 14 CYS HB3 . . 5.100 4.840 4.582 5.101 0.001 20 0 "[ . 1 . 2]" 1
212 1 10 PHE HA 1 15 SER H . . 5.350 3.049 2.574 3.500 . 0 0 "[ . 1 . 2]" 1
213 1 10 PHE HA 1 94 LEU QD . . 3.610 2.897 2.442 3.612 0.002 9 0 "[ . 1 . 2]" 1
214 1 10 PHE QB 1 10 PHE HE1 . . 4.630 4.487 4.460 4.536 . 0 0 "[ . 1 . 2]" 1
215 1 10 PHE QB 1 11 ILE H . . 3.550 2.669 2.292 3.045 . 0 0 "[ . 1 . 2]" 1
216 1 10 PHE QB 1 11 ILE QG . . 5.180 3.404 3.233 3.591 . 0 0 "[ . 1 . 2]" 1
217 1 10 PHE QB 1 94 LEU HA . . 4.740 4.507 4.051 4.742 0.002 11 0 "[ . 1 . 2]" 1
218 1 10 PHE QB 1 94 LEU QD . . 3.290 2.263 1.848 2.846 . 0 0 "[ . 1 . 2]" 1
219 1 10 PHE QB 1 94 LEU HG . . 5.340 4.308 3.664 5.306 . 0 0 "[ . 1 . 2]" 1
220 1 10 PHE QB 1 97 TYR HD2 . . 3.330 2.704 2.487 2.882 . 0 0 "[ . 1 . 2]" 1
221 1 10 PHE QB 1 97 TYR HE1 . . 5.340 4.789 4.541 5.025 . 0 0 "[ . 1 . 2]" 1
222 1 10 PHE QB 1 97 TYR HE2 . . 3.400 2.100 1.925 2.661 . 0 0 "[ . 1 . 2]" 1
223 1 10 PHE HB2 1 11 ILE H . . 4.060 3.553 3.324 3.795 . 0 0 "[ . 1 . 2]" 1
224 1 10 PHE HB2 1 97 TYR HD2 . . 3.920 2.783 2.563 2.966 . 0 0 "[ . 1 . 2]" 1
225 1 10 PHE HB2 1 97 TYR HE2 . . 3.910 2.706 2.431 3.187 . 0 0 "[ . 1 . 2]" 1
226 1 10 PHE HB3 1 11 ILE H . . 4.060 2.765 2.336 3.206 . 0 0 "[ . 1 . 2]" 1
227 1 10 PHE HB3 1 97 TYR HD2 . . 3.920 3.686 3.357 3.922 0.002 17 0 "[ . 1 . 2]" 1
228 1 10 PHE HB3 1 97 TYR HE2 . . 3.910 2.197 1.999 2.851 . 0 0 "[ . 1 . 2]" 1
229 1 10 PHE QD 1 94 LEU QD . . 3.900 1.904 1.765 2.144 . 0 0 "[ . 1 . 2]" 1
230 1 10 PHE HE1 1 14 CYS HB3 . . 4.920 4.238 3.353 4.920 0.000 8 0 "[ . 1 . 2]" 1
231 1 10 PHE HE1 1 20 VAL QG . . 4.430 2.613 1.811 4.583 0.153 15 0 "[ . 1 . 2]" 1
232 1 10 PHE HE1 1 32 LEU QD . . 4.740 3.250 2.384 3.825 . 0 0 "[ . 1 . 2]" 1
233 1 10 PHE HE1 1 98 LEU MD2 . . 3.770 3.186 2.312 3.773 0.003 2 0 "[ . 1 . 2]" 1
234 1 10 PHE HZ 1 18 HIS HB2 . . 4.680 3.808 3.022 4.493 . 0 0 "[ . 1 . 2]" 1
235 1 10 PHE HZ 1 18 HIS HB3 . . 4.600 3.446 2.594 4.223 . 0 0 "[ . 1 . 2]" 1
236 1 10 PHE HZ 1 20 VAL QG . . 4.010 2.781 2.121 3.319 . 0 0 "[ . 1 . 2]" 1
237 1 10 PHE HZ 1 32 LEU QD . . 4.470 1.911 1.771 2.195 . 0 0 "[ . 1 . 2]" 1
238 1 10 PHE HZ 1 98 LEU MD2 . . 4.780 2.501 2.185 2.889 . 0 0 "[ . 1 . 2]" 1
239 1 11 ILE H 1 11 ILE HB . . 3.110 2.212 2.133 2.293 . 0 0 "[ . 1 . 2]" 1
240 1 11 ILE H 1 11 ILE MD . . 3.960 3.584 3.337 3.856 . 0 0 "[ . 1 . 2]" 1
241 1 11 ILE H 1 11 ILE HG12 . . 4.010 3.645 2.376 3.971 . 0 0 "[ . 1 . 2]" 1
242 1 11 ILE H 1 11 ILE QG . . 3.170 2.466 2.318 2.730 . 0 0 "[ . 1 . 2]" 1
243 1 11 ILE H 1 11 ILE HG13 . . 4.010 2.551 2.350 3.275 . 0 0 "[ . 1 . 2]" 1
244 1 11 ILE H 1 11 ILE MG . . 3.960 3.631 3.576 3.677 . 0 0 "[ . 1 . 2]" 1
245 1 11 ILE H 1 12 MET H . . 3.720 2.776 2.414 3.001 . 0 0 "[ . 1 . 2]" 1
246 1 11 ILE HA 1 11 ILE MD . . 3.820 3.669 2.358 3.787 . 0 0 "[ . 1 . 2]" 1
247 1 11 ILE HA 1 11 ILE HG12 . . 4.010 2.428 2.237 2.577 . 0 0 "[ . 1 . 2]" 1
248 1 11 ILE HA 1 11 ILE HG13 . . 4.010 2.746 2.498 3.690 . 0 0 "[ . 1 . 2]" 1
249 1 11 ILE HA 1 11 ILE MG . . 3.590 2.621 2.500 2.676 . 0 0 "[ . 1 . 2]" 1
250 1 11 ILE HA 1 15 SER H . . 4.490 4.247 3.910 4.478 . 0 0 "[ . 1 . 2]" 1
251 1 11 ILE HA 1 15 SER HB2 . . 4.080 2.788 1.999 3.810 . 0 0 "[ . 1 . 2]" 1
252 1 11 ILE HA 1 15 SER QB . . 3.340 2.436 1.968 2.856 . 0 0 "[ . 1 . 2]" 1
253 1 11 ILE HA 1 15 SER HB3 . . 4.080 2.797 2.231 3.762 . 0 0 "[ . 1 . 2]" 1
254 1 11 ILE HB 1 11 ILE MD . . 3.460 2.386 2.274 3.147 . 0 0 "[ . 1 . 2]" 1
255 1 11 ILE HB 1 12 MET H . . 3.530 2.817 2.554 3.020 . 0 0 "[ . 1 . 2]" 1
256 1 11 ILE MD 1 11 ILE MG . . 2.400 1.930 1.818 2.013 . 0 0 "[ . 1 . 2]" 1
257 1 11 ILE MD 1 12 MET H . . 5.240 4.725 4.456 5.062 . 0 0 "[ . 1 . 2]" 1
258 1 11 ILE QG 1 12 MET H . . 4.810 4.335 4.159 4.407 . 0 0 "[ . 1 . 2]" 1
259 1 11 ILE HG12 1 11 ILE MG . . 3.630 2.483 2.347 3.194 . 0 0 "[ . 1 . 2]" 1
260 1 11 ILE HG13 1 11 ILE MG . . 3.630 3.201 2.670 3.241 . 0 0 "[ . 1 . 2]" 1
261 1 11 ILE MG 1 12 MET H . . 4.010 3.041 2.788 3.529 . 0 0 "[ . 1 . 2]" 1
262 1 11 ILE MG 1 12 MET HA . . 4.000 3.579 3.373 3.793 . 0 0 "[ . 1 . 2]" 1
263 1 11 ILE MG 1 12 MET QG . . 4.480 2.878 1.965 3.964 . 0 0 "[ . 1 . 2]" 1
264 1 12 MET H 1 12 MET HB2 . . 3.810 2.746 2.432 3.761 . 0 0 "[ . 1 . 2]" 1
265 1 12 MET H 1 12 MET QB . . 3.150 2.538 2.365 3.072 . 0 0 "[ . 1 . 2]" 1
266 1 12 MET H 1 12 MET HB3 . . 3.810 3.280 2.752 3.817 0.007 13 0 "[ . 1 . 2]" 1
267 1 12 MET H 1 12 MET ME . . 4.780 3.744 3.091 4.691 . 0 0 "[ . 1 . 2]" 1
268 1 12 MET H 1 12 MET HG2 . . 4.730 4.225 2.244 4.551 . 0 0 "[ . 1 . 2]" 1
269 1 12 MET H 1 12 MET QG . . 4.140 3.473 1.855 4.115 . 0 0 "[ . 1 . 2]" 1
270 1 12 MET H 1 12 MET HG3 . . 4.730 3.810 1.948 4.712 . 0 0 "[ . 1 . 2]" 1
271 1 12 MET H 1 13 LYS H . . 3.140 2.622 2.451 2.725 . 0 0 "[ . 1 . 2]" 1
272 1 12 MET HA 1 12 MET ME . . 4.870 4.174 3.937 4.715 . 0 0 "[ . 1 . 2]" 1
273 1 12 MET HA 1 12 MET HG2 . . 4.080 2.765 2.102 3.833 . 0 0 "[ . 1 . 2]" 1
274 1 12 MET HA 1 12 MET QG . . 3.280 2.422 2.082 3.340 0.060 20 0 "[ . 1 . 2]" 1
275 1 12 MET HA 1 12 MET HG3 . . 4.080 2.793 2.444 3.677 . 0 0 "[ . 1 . 2]" 1
276 1 12 MET HB2 1 13 LYS H . . 4.770 4.416 4.143 4.651 . 0 0 "[ . 1 . 2]" 1
277 1 12 MET HB3 1 13 LYS H . . 4.770 4.382 4.067 4.742 . 0 0 "[ . 1 . 2]" 1
278 1 12 MET ME 1 13 LYS H . . 5.390 5.234 4.928 5.414 0.024 9 0 "[ . 1 . 2]" 1
279 1 13 LYS H 1 13 LYS HB2 . . 3.630 3.074 2.633 3.285 . 0 0 "[ . 1 . 2]" 1
280 1 13 LYS H 1 13 LYS QB . . 3.170 2.573 2.477 2.640 . 0 0 "[ . 1 . 2]" 1
281 1 13 LYS H 1 13 LYS HB3 . . 3.630 2.783 2.666 3.016 . 0 0 "[ . 1 . 2]" 1
282 1 13 LYS H 1 13 LYS HE2 . . 5.500 4.856 3.778 5.471 . 0 0 "[ . 1 . 2]" 1
283 1 13 LYS H 1 13 LYS QE . . 4.820 4.349 3.717 4.715 . 0 0 "[ . 1 . 2]" 1
284 1 13 LYS H 1 13 LYS HE3 . . 5.500 5.116 4.636 5.519 0.019 15 0 "[ . 1 . 2]" 1
285 1 13 LYS H 1 13 LYS QG . . 4.140 4.134 4.080 4.180 0.040 15 0 "[ . 1 . 2]" 1
286 1 13 LYS H 1 14 CYS H . . 3.360 2.300 1.898 2.619 . 0 0 "[ . 1 . 2]" 1
287 1 13 LYS H 1 15 SER H . . 4.710 2.950 2.163 3.443 . 0 0 "[ . 1 . 2]" 1
288 1 13 LYS HA 1 13 LYS HD2 . . 4.260 3.478 3.122 3.723 . 0 0 "[ . 1 . 2]" 1
289 1 13 LYS HA 1 13 LYS QD . . 3.590 2.699 1.993 3.346 . 0 0 "[ . 1 . 2]" 1
290 1 13 LYS HA 1 13 LYS HD3 . . 4.260 3.148 2.003 4.068 . 0 0 "[ . 1 . 2]" 1
291 1 13 LYS HA 1 13 LYS QG . . 3.440 2.664 2.186 3.111 . 0 0 "[ . 1 . 2]" 1
292 1 13 LYS HA 1 15 SER H . . 5.500 5.144 4.228 5.507 0.007 16 0 "[ . 1 . 2]" 1
293 1 13 LYS HA 1 82 PHE QE . . 4.920 4.147 3.324 4.658 . 0 0 "[ . 1 . 2]" 1
294 1 13 LYS QB 1 13 LYS QD . . 3.310 2.453 2.064 2.917 . 0 0 "[ . 1 . 2]" 1
295 1 13 LYS QB 1 14 CYS H . . 4.100 2.225 1.932 2.592 . 0 0 "[ . 1 . 2]" 1
296 1 13 LYS QB 1 15 SER H . . 5.340 4.000 3.702 4.230 . 0 0 "[ . 1 . 2]" 1
297 1 13 LYS QB 1 82 PHE QE . . 4.630 4.220 3.584 4.630 . 0 0 "[ . 1 . 2]" 1
298 1 13 LYS QB 1 82 PHE HZ . . 4.950 4.674 3.845 4.954 0.004 16 0 "[ . 1 . 2]" 1
299 1 13 LYS QB 1 94 LEU QD . . 4.610 3.019 2.629 3.414 . 0 0 "[ . 1 . 2]" 1
300 1 13 LYS HB2 1 14 CYS H . . 4.810 3.648 3.180 3.918 . 0 0 "[ . 1 . 2]" 1
301 1 13 LYS HB3 1 14 CYS H . . 4.810 2.246 1.949 2.630 . 0 0 "[ . 1 . 2]" 1
302 1 13 LYS QD 1 82 PHE QE . . 4.450 2.311 1.906 3.706 . 0 0 "[ . 1 . 2]" 1
303 1 13 LYS QD 1 82 PHE HZ . . 4.140 2.761 2.001 3.566 . 0 0 "[ . 1 . 2]" 1
304 1 13 LYS HE2 1 13 LYS QG . . 3.420 2.738 2.089 3.416 . 0 0 "[ . 1 . 2]" 1
305 1 13 LYS HE3 1 13 LYS QG . . 3.420 2.840 2.330 3.492 0.072 15 0 "[ . 1 . 2]" 1
306 1 13 LYS QG 1 14 CYS H . . 4.570 3.400 2.765 3.854 . 0 0 "[ . 1 . 2]" 1
307 1 13 LYS QG 1 82 PHE QD . . 4.420 4.035 3.402 4.360 . 0 0 "[ . 1 . 2]" 1
308 1 14 CYS H 1 14 CYS HB2 . . 3.980 2.820 2.529 2.974 . 0 0 "[ . 1 . 2]" 1
309 1 14 CYS H 1 14 CYS HB3 . . 4.070 3.695 3.589 3.833 . 0 0 "[ . 1 . 2]" 1
310 1 14 CYS H 1 15 SER H . . 3.230 2.111 1.899 2.338 . 0 0 "[ . 1 . 2]" 1
311 1 14 CYS H 1 15 SER HA . . 4.840 4.626 4.430 4.849 0.009 14 0 "[ . 1 . 2]" 1
312 1 14 CYS HA 1 18 HIS HD2 . . 4.480 3.256 2.820 3.921 . 0 0 "[ . 1 . 2]" 1
313 1 14 CYS HB2 1 15 SER H . . 4.140 2.743 2.404 3.558 . 0 0 "[ . 1 . 2]" 1
314 1 14 CYS HB3 1 15 SER H . . 4.730 4.019 3.691 4.370 . 0 0 "[ . 1 . 2]" 1
315 1 14 CYS HB3 1 18 HIS HD2 . . 4.110 2.355 2.006 2.830 . 0 0 "[ . 1 . 2]" 1
316 1 15 SER H 1 15 SER HB2 . . 3.900 2.672 2.241 3.446 . 0 0 "[ . 1 . 2]" 1
317 1 15 SER H 1 15 SER QB . . 3.400 2.182 1.998 2.414 . 0 0 "[ . 1 . 2]" 1
318 1 15 SER H 1 15 SER HB3 . . 3.900 2.514 2.019 3.568 . 0 0 "[ . 1 . 2]" 1
319 1 15 SER H 1 16 GLN H . . 4.170 2.922 2.758 3.337 . 0 0 "[ . 1 . 2]" 1
320 1 15 SER HA 1 15 SER QB . . 2.550 2.315 2.173 2.489 . 0 0 "[ . 1 . 2]" 1
321 1 15 SER HA 1 17 CYS H . . 4.530 4.123 3.480 4.461 . 0 0 "[ . 1 . 2]" 1
322 1 15 SER HA 1 18 HIS H . . 4.040 3.873 3.251 4.044 0.004 9 0 "[ . 1 . 2]" 1
323 1 15 SER QB 1 16 GLN H . . 4.080 3.058 2.747 4.065 . 0 0 "[ . 1 . 2]" 1
324 1 16 GLN H 1 16 GLN HB2 . . 3.680 2.452 2.132 3.617 . 0 0 "[ . 1 . 2]" 1
325 1 16 GLN H 1 16 GLN HB3 . . 3.680 2.888 2.501 3.568 . 0 0 "[ . 1 . 2]" 1
326 1 16 GLN H 1 16 GLN HG2 . . 4.650 3.983 1.996 4.625 . 0 0 "[ . 1 . 2]" 1
327 1 16 GLN H 1 16 GLN QG . . 4.090 3.496 1.967 4.056 . 0 0 "[ . 1 . 2]" 1
328 1 16 GLN H 1 16 GLN HG3 . . 4.650 3.974 2.075 4.554 . 0 0 "[ . 1 . 2]" 1
329 1 16 GLN H 1 17 CYS H . . 3.780 2.952 2.026 3.082 . 0 0 "[ . 1 . 2]" 1
330 1 16 GLN H 1 18 HIS H . . 4.570 4.326 2.701 4.571 0.001 8 0 "[ . 1 . 2]" 1
331 1 16 GLN HA 1 16 GLN HG2 . . 3.960 3.345 2.298 3.819 . 0 0 "[ . 1 . 2]" 1
332 1 16 GLN HA 1 16 GLN QG . . 3.460 2.661 2.177 3.244 . 0 0 "[ . 1 . 2]" 1
333 1 16 GLN HA 1 16 GLN HG3 . . 3.960 2.980 2.220 3.829 . 0 0 "[ . 1 . 2]" 1
334 1 16 GLN HB2 1 17 CYS H . . 4.350 3.537 2.444 4.126 . 0 0 "[ . 1 . 2]" 1
335 1 16 GLN HB3 1 17 CYS H . . 4.350 2.844 2.415 4.057 . 0 0 "[ . 1 . 2]" 1
336 1 16 GLN QG 1 17 CYS H . . 4.150 3.650 1.938 4.075 . 0 0 "[ . 1 . 2]" 1
337 1 16 GLN HG2 1 17 CYS H . . 4.890 4.315 3.001 4.781 . 0 0 "[ . 1 . 2]" 1
338 1 16 GLN HG3 1 17 CYS H . . 4.890 4.124 1.963 4.887 . 0 0 "[ . 1 . 2]" 1
339 1 17 CYS H 1 17 CYS QB . . 3.500 2.826 2.378 2.981 . 0 0 "[ . 1 . 2]" 1
340 1 17 CYS H 1 18 HIS H . . 3.140 2.099 1.894 2.487 . 0 0 "[ . 1 . 2]" 1
341 1 17 CYS HA 1 27 LYS HB2 . . 5.050 4.565 3.650 5.056 0.006 11 0 "[ . 1 . 2]" 1
342 1 17 CYS HA 1 27 LYS QB . . 4.270 3.707 3.443 3.959 . 0 0 "[ . 1 . 2]" 1
343 1 17 CYS HA 1 27 LYS HB3 . . 5.050 4.073 3.554 4.648 . 0 0 "[ . 1 . 2]" 1
344 1 17 CYS HA 1 27 LYS QE . . 5.280 5.012 3.852 5.282 0.002 13 0 "[ . 1 . 2]" 1
345 1 17 CYS HA 1 27 LYS QG . . 5.250 4.958 3.999 5.257 0.007 20 0 "[ . 1 . 2]" 1
346 1 17 CYS HA 1 29 GLY H . . 4.460 3.861 3.356 4.308 . 0 0 "[ . 1 . 2]" 1
347 1 17 CYS QB 1 18 HIS H . . 3.830 2.495 2.193 2.960 . 0 0 "[ . 1 . 2]" 1
348 1 17 CYS QB 1 18 HIS HD2 . . 4.260 3.919 2.628 4.188 . 0 0 "[ . 1 . 2]" 1
349 1 17 CYS QB 1 28 THR HB . . 3.440 2.081 1.981 2.430 . 0 0 "[ . 1 . 2]" 1
350 1 17 CYS QB 1 29 GLY H . . 3.690 2.644 1.956 3.041 . 0 0 "[ . 1 . 2]" 1
351 1 17 CYS QB 1 29 GLY QA . . 3.830 2.418 2.118 2.747 . 0 0 "[ . 1 . 2]" 1
352 1 17 CYS HB2 1 18 HIS H . . 4.460 2.526 2.230 3.021 . 0 0 "[ . 1 . 2]" 1
353 1 17 CYS HB2 1 28 THR HB . . 4.310 3.723 3.399 4.108 . 0 0 "[ . 1 . 2]" 1
354 1 17 CYS HB2 1 29 GLY H . . 4.360 3.557 3.063 4.366 0.006 7 0 "[ . 1 . 2]" 1
355 1 17 CYS HB2 1 29 GLY HA2 . . 5.110 4.076 3.539 5.039 . 0 0 "[ . 1 . 2]" 1
356 1 17 CYS HB2 1 29 GLY HA3 . . 5.110 2.604 2.199 3.737 . 0 0 "[ . 1 . 2]" 1
357 1 17 CYS HB3 1 18 HIS H . . 4.460 3.889 3.243 4.239 . 0 0 "[ . 1 . 2]" 1
358 1 17 CYS HB3 1 28 THR HB . . 4.310 2.092 1.994 2.448 . 0 0 "[ . 1 . 2]" 1
359 1 17 CYS HB3 1 29 GLY H . . 4.360 2.738 1.979 3.252 . 0 0 "[ . 1 . 2]" 1
360 1 17 CYS HB3 1 29 GLY HA2 . . 5.110 4.200 3.626 4.737 . 0 0 "[ . 1 . 2]" 1
361 1 17 CYS HB3 1 29 GLY HA3 . . 5.110 3.125 2.689 3.611 . 0 0 "[ . 1 . 2]" 1
362 1 18 HIS H 1 18 HIS HB2 . . 3.890 2.308 2.235 2.440 . 0 0 "[ . 1 . 2]" 1
363 1 18 HIS H 1 18 HIS HB3 . . 4.020 3.519 3.494 3.555 . 0 0 "[ . 1 . 2]" 1
364 1 18 HIS H 1 18 HIS HD2 . . 4.930 3.060 2.375 3.347 . 0 0 "[ . 1 . 2]" 1
365 1 18 HIS HA 1 18 HIS HD1 . . 4.010 2.736 2.520 3.295 . 0 0 "[ . 1 . 2]" 1
366 1 18 HIS HA 1 19 THR H . . 3.180 2.609 2.472 2.726 . 0 0 "[ . 1 . 2]" 1
367 1 18 HIS HB2 1 18 HIS HD2 . . 3.970 2.749 2.720 2.892 . 0 0 "[ . 1 . 2]" 1
368 1 18 HIS HB2 1 32 LEU QD . . 4.760 2.948 2.330 3.683 . 0 0 "[ . 1 . 2]" 1
369 1 18 HIS HB3 1 19 THR H . . 5.010 2.219 1.998 2.515 . 0 0 "[ . 1 . 2]" 1
370 1 18 HIS HB3 1 31 ASN HA . . 4.920 4.590 3.919 4.926 0.006 8 0 "[ . 1 . 2]" 1
371 1 18 HIS HB3 1 32 LEU QD . . 4.650 2.256 1.960 2.930 . 0 0 "[ . 1 . 2]" 1
372 1 18 HIS HB3 1 32 LEU HG . . 4.490 2.408 2.002 3.126 . 0 0 "[ . 1 . 2]" 1
373 1 18 HIS HD1 1 29 GLY QA . . 5.140 3.919 3.360 4.138 . 0 0 "[ . 1 . 2]" 1
374 1 18 HIS HD1 1 30 PRO QG . . 4.790 3.699 3.236 4.344 . 0 0 "[ . 1 . 2]" 1
375 1 18 HIS HD1 1 32 LEU QD . . 3.940 2.309 1.990 2.649 . 0 0 "[ . 1 . 2]" 1
376 1 18 HIS HD1 1 32 LEU HG . . 4.450 2.095 1.950 2.348 . 0 0 "[ . 1 . 2]" 1
377 1 18 HIS HD2 1 32 LEU QD . . 4.400 3.452 3.050 4.014 . 0 0 "[ . 1 . 2]" 1
378 1 18 HIS HE1 1 29 GLY HA2 . . 4.510 4.463 3.948 4.533 0.023 14 0 "[ . 1 . 2]" 1
379 1 18 HIS HE1 1 29 GLY QA . . 3.910 3.858 3.404 3.914 0.004 17 0 "[ . 1 . 2]" 1
380 1 18 HIS HE1 1 29 GLY HA3 . . 4.510 4.224 3.718 4.375 . 0 0 "[ . 1 . 2]" 1
381 1 18 HIS HE1 1 30 PRO HD2 . . 3.650 1.997 1.981 2.052 . 0 0 "[ . 1 . 2]" 1
382 1 18 HIS HE1 1 30 PRO QD . . 2.860 1.987 1.973 2.041 . 0 0 "[ . 1 . 2]" 1
383 1 18 HIS HE1 1 30 PRO HD3 . . 3.650 3.590 3.378 3.689 0.039 12 0 "[ . 1 . 2]" 1
384 1 18 HIS HE1 1 30 PRO QG . . 4.250 2.525 2.364 3.220 . 0 0 "[ . 1 . 2]" 1
385 1 18 HIS HE1 1 32 LEU QD . . 3.760 2.681 2.197 3.239 . 0 0 "[ . 1 . 2]" 1
386 1 19 THR H 1 19 THR HB . . 4.110 3.862 3.846 3.902 . 0 0 "[ . 1 . 2]" 1
387 1 19 THR H 1 19 THR MG . . 3.650 3.377 3.095 3.440 . 0 0 "[ . 1 . 2]" 1
388 1 19 THR H 1 31 ASN HA . . 3.950 3.017 2.508 3.336 . 0 0 "[ . 1 . 2]" 1
389 1 19 THR HA 1 19 THR MG . . 2.900 2.240 2.199 2.394 . 0 0 "[ . 1 . 2]" 1
390 1 19 THR HA 1 20 VAL H . . 3.110 2.158 2.149 2.174 . 0 0 "[ . 1 . 2]" 1
391 1 19 THR HA 1 20 VAL MG1 . . 4.590 3.628 3.304 4.024 . 0 0 "[ . 1 . 2]" 1
392 1 19 THR HA 1 20 VAL QG . . 3.920 3.311 3.167 3.369 . 0 0 "[ . 1 . 2]" 1
393 1 19 THR HA 1 20 VAL MG2 . . 4.590 3.908 3.526 4.085 . 0 0 "[ . 1 . 2]" 1
394 1 19 THR HA 1 21 GLU H . . 4.660 4.003 3.178 4.196 . 0 0 "[ . 1 . 2]" 1
395 1 19 THR HB 1 20 VAL H . . 3.930 3.801 3.594 3.939 0.009 8 0 "[ . 1 . 2]" 1
396 1 19 THR HB 1 21 GLU H . . 4.490 3.118 2.815 3.360 . 0 0 "[ . 1 . 2]" 1
397 1 19 THR HB 1 24 GLY HA2 . . 4.640 3.630 2.633 4.136 . 0 0 "[ . 1 . 2]" 1
398 1 19 THR HB 1 24 GLY QA . . 4.070 3.164 2.331 3.822 . 0 0 "[ . 1 . 2]" 1
399 1 19 THR HB 1 24 GLY HA3 . . 4.640 3.530 2.542 4.509 . 0 0 "[ . 1 . 2]" 1
400 1 19 THR HB 1 25 LYS H . . 4.850 4.054 3.358 4.732 . 0 0 "[ . 1 . 2]" 1
401 1 19 THR HB 1 31 ASN HD21 . . 4.560 3.474 2.709 4.440 . 0 0 "[ . 1 . 2]" 1
402 1 19 THR MG 1 20 VAL H . . 4.150 4.031 3.932 4.140 . 0 0 "[ . 1 . 2]" 1
403 1 19 THR MG 1 24 GLY HA2 . . 5.110 4.166 2.936 4.785 . 0 0 "[ . 1 . 2]" 1
404 1 19 THR MG 1 24 GLY QA . . 4.290 3.714 2.799 4.256 . 0 0 "[ . 1 . 2]" 1
405 1 19 THR MG 1 24 GLY HA3 . . 5.110 4.211 3.459 4.821 . 0 0 "[ . 1 . 2]" 1
406 1 19 THR MG 1 25 LYS H . . 3.950 3.452 2.924 3.946 . 0 0 "[ . 1 . 2]" 1
407 1 20 VAL H 1 20 VAL MG1 . . 3.820 2.294 1.981 2.737 . 0 0 "[ . 1 . 2]" 1
408 1 20 VAL H 1 20 VAL QG . . 3.090 1.954 1.828 2.049 . 0 0 "[ . 1 . 2]" 1
409 1 20 VAL H 1 20 VAL MG2 . . 3.820 2.188 1.880 2.353 . 0 0 "[ . 1 . 2]" 1
410 1 20 VAL H 1 21 GLU H . . 3.540 3.377 2.598 3.510 . 0 0 "[ . 1 . 2]" 1
411 1 20 VAL H 1 21 GLU HA . . 5.160 5.121 4.855 5.166 0.006 12 0 "[ . 1 . 2]" 1
412 1 20 VAL H 1 21 GLU QG . . 4.990 3.676 3.206 4.406 . 0 0 "[ . 1 . 2]" 1
413 1 20 VAL H 1 32 LEU QB . . 5.280 4.446 4.003 4.764 . 0 0 "[ . 1 . 2]" 1
414 1 20 VAL HA 1 32 LEU H . . 3.770 3.481 2.851 3.778 0.008 8 0 "[ . 1 . 2]" 1
415 1 20 VAL HA 1 32 LEU QB . . 3.460 3.098 2.310 3.357 . 0 0 "[ . 1 . 2]" 1
416 1 20 VAL HA 1 32 LEU QD . . 5.070 4.576 3.662 4.752 . 0 0 "[ . 1 . 2]" 1
417 1 20 VAL HA 1 102 THR MG . . 5.390 5.140 4.841 5.390 0.000 17 0 "[ . 1 . 2]" 1
418 1 20 VAL HB 1 101 ALA MB . . 4.100 2.642 2.153 3.173 . 0 0 "[ . 1 . 2]" 1
419 1 20 VAL HB 1 102 THR MG . . 4.210 4.125 4.003 4.212 0.002 4 0 "[ . 1 . 2]" 1
420 1 20 VAL QG 1 21 GLU HA . . 4.440 3.895 3.388 4.218 . 0 0 "[ . 1 . 2]" 1
421 1 20 VAL QG 1 21 GLU QG . . 4.370 3.849 3.318 4.370 . 0 0 "[ . 1 . 2]" 1
422 1 20 VAL QG 1 32 LEU H . . 4.740 4.095 3.443 4.618 . 0 0 "[ . 1 . 2]" 1
423 1 20 VAL QG 1 32 LEU QB . . 3.340 2.578 2.034 3.176 . 0 0 "[ . 1 . 2]" 1
424 1 20 VAL QG 1 32 LEU QD . . 3.910 3.136 2.385 3.523 . 0 0 "[ . 1 . 2]" 1
425 1 20 VAL QG 1 97 TYR HD2 . . 4.940 4.233 3.740 4.824 . 0 0 "[ . 1 . 2]" 1
426 1 20 VAL QG 1 97 TYR HE2 . . 3.810 2.731 2.136 3.327 . 0 0 "[ . 1 . 2]" 1
427 1 20 VAL QG 1 98 LEU HA . . 4.840 3.641 3.236 4.174 . 0 0 "[ . 1 . 2]" 1
428 1 20 VAL QG 1 98 LEU MD2 . . 3.570 2.076 1.701 2.559 . 0 0 "[ . 1 . 2]" 1
429 1 20 VAL QG 1 101 ALA HA . . 4.620 4.066 3.364 4.620 0.000 16 0 "[ . 1 . 2]" 1
430 1 20 VAL QG 1 101 ALA MB . . 3.880 2.271 1.928 2.610 . 0 0 "[ . 1 . 2]" 1
431 1 20 VAL QG 1 102 THR MG . . 3.840 3.655 3.101 3.844 0.004 17 0 "[ . 1 . 2]" 1
432 1 20 VAL MG1 1 102 THR MG . . 4.930 3.783 3.137 4.024 . 0 0 "[ . 1 . 2]" 1
433 1 20 VAL MG2 1 102 THR MG . . 4.930 4.907 4.727 4.932 0.002 11 0 "[ . 1 . 2]" 1
434 1 21 GLU H 1 21 GLU QG . . 4.600 2.114 1.907 2.342 . 0 0 "[ . 1 . 2]" 1
435 1 21 GLU HA 1 21 GLU QG . . 3.600 3.274 2.524 3.435 . 0 0 "[ . 1 . 2]" 1
436 1 21 GLU HA 1 22 LYS H . . 3.100 2.228 2.202 2.572 . 0 0 "[ . 1 . 2]" 1
437 1 21 GLU HA 1 22 LYS HB2 . . 4.930 4.581 4.320 4.918 . 0 0 "[ . 1 . 2]" 1
438 1 21 GLU HA 1 22 LYS QB . . 4.260 4.081 4.042 4.143 . 0 0 "[ . 1 . 2]" 1
439 1 21 GLU HA 1 22 LYS HB3 . . 4.930 4.642 4.301 4.938 0.008 11 0 "[ . 1 . 2]" 1
440 1 21 GLU HA 1 31 ASN HD22 . . 5.500 4.428 3.995 4.944 . 0 0 "[ . 1 . 2]" 1
441 1 21 GLU QB 1 22 LYS H . . 3.570 3.313 2.368 3.523 . 0 0 "[ . 1 . 2]" 1
442 1 21 GLU QB 1 24 GLY H . . 5.440 4.929 2.633 5.386 . 0 0 "[ . 1 . 2]" 1
443 1 21 GLU QG 1 22 LYS H . . 4.500 4.401 4.103 4.502 0.002 12 0 "[ . 1 . 2]" 1
444 1 21 GLU QG 1 24 GLY H . . 4.230 3.849 3.275 4.169 . 0 0 "[ . 1 . 2]" 1
445 1 21 GLU QG 1 24 GLY HA2 . . 4.510 2.781 2.013 3.677 . 0 0 "[ . 1 . 2]" 1
446 1 21 GLU QG 1 24 GLY HA3 . . 4.510 3.277 2.581 4.161 . 0 0 "[ . 1 . 2]" 1
447 1 22 LYS H 1 22 LYS HB2 . . 3.460 2.427 2.149 2.765 . 0 0 "[ . 1 . 2]" 1
448 1 22 LYS H 1 22 LYS HB3 . . 3.460 2.556 2.201 2.874 . 0 0 "[ . 1 . 2]" 1
449 1 22 LYS H 1 22 LYS QD . . 4.560 4.286 3.827 4.557 . 0 0 "[ . 1 . 2]" 1
450 1 22 LYS H 1 24 GLY H . . 5.450 5.027 4.685 5.404 . 0 0 "[ . 1 . 2]" 1
451 1 22 LYS H 1 31 ASN HD22 . . 5.500 4.562 4.282 4.781 . 0 0 "[ . 1 . 2]" 1
452 1 22 LYS HA 1 22 LYS QD . . 4.370 3.125 1.934 4.283 . 0 0 "[ . 1 . 2]" 1
453 1 22 LYS HA 1 22 LYS QE . . 4.460 3.921 1.947 4.460 0.000 10 0 "[ . 1 . 2]" 1
454 1 22 LYS HA 1 22 LYS QG . . 3.570 2.606 2.119 3.215 . 0 0 "[ . 1 . 2]" 1
455 1 22 LYS HA 1 24 GLY H . . 4.690 3.539 3.026 4.629 . 0 0 "[ . 1 . 2]" 1
456 1 22 LYS HA 1 31 ASN HD22 . . 4.720 3.692 2.961 4.506 . 0 0 "[ . 1 . 2]" 1
457 1 22 LYS QB 1 22 LYS QD . . 3.160 2.284 2.054 2.645 . 0 0 "[ . 1 . 2]" 1
458 1 22 LYS QB 1 22 LYS QE . . 4.390 3.027 1.891 3.914 . 0 0 "[ . 1 . 2]" 1
459 1 22 LYS QB 1 33 HIS HE1 . . 4.220 2.744 2.286 3.457 . 0 0 "[ . 1 . 2]" 1
460 1 22 LYS QD 1 33 HIS HE1 . . 4.540 3.273 1.992 4.543 0.003 11 0 "[ . 1 . 2]" 1
461 1 22 LYS QE 1 22 LYS QG . . 3.430 2.244 2.016 2.548 . 0 0 "[ . 1 . 2]" 1
462 1 23 GLY H 1 24 GLY H . . 4.350 2.564 1.963 2.931 . 0 0 "[ . 1 . 2]" 1
463 1 24 GLY H 1 31 ASN HD22 . . 4.030 2.875 2.169 3.235 . 0 0 "[ . 1 . 2]" 1
464 1 24 GLY QA 1 25 LYS H . . 2.950 2.296 2.208 2.333 . 0 0 "[ . 1 . 2]" 1
465 1 24 GLY QA 1 31 ASN HD21 . . 4.140 1.944 1.933 2.017 . 0 0 "[ . 1 . 2]" 1
466 1 24 GLY QA 1 31 ASN HD22 . . 4.010 3.010 2.726 3.236 . 0 0 "[ . 1 . 2]" 1
467 1 24 GLY HA2 1 25 LYS H . . 3.630 2.700 2.234 2.977 . 0 0 "[ . 1 . 2]" 1
468 1 24 GLY HA2 1 31 ASN HD21 . . 4.810 3.448 3.251 3.643 . 0 0 "[ . 1 . 2]" 1
469 1 24 GLY HA2 1 31 ASN HD22 . . 4.740 4.199 3.826 4.740 . 0 0 "[ . 1 . 2]" 1
470 1 24 GLY HA3 1 25 LYS H . . 3.630 2.581 2.323 3.454 . 0 0 "[ . 1 . 2]" 1
471 1 24 GLY HA3 1 31 ASN HD21 . . 4.810 1.955 1.946 2.029 . 0 0 "[ . 1 . 2]" 1
472 1 24 GLY HA3 1 31 ASN HD22 . . 4.740 3.085 2.791 3.326 . 0 0 "[ . 1 . 2]" 1
473 1 25 LYS H 1 25 LYS HB2 . . 3.870 2.670 2.130 2.999 . 0 0 "[ . 1 . 2]" 1
474 1 25 LYS H 1 25 LYS HB3 . . 3.870 3.716 3.435 3.872 0.002 9 0 "[ . 1 . 2]" 1
475 1 25 LYS H 1 25 LYS QD . . 4.480 4.120 2.022 4.484 0.004 11 0 "[ . 1 . 2]" 1
476 1 25 LYS H 1 25 LYS HG2 . . 3.600 2.992 2.570 3.607 0.007 18 0 "[ . 1 . 2]" 1
477 1 25 LYS H 1 25 LYS HG3 . . 3.600 3.184 2.335 3.603 0.003 8 0 "[ . 1 . 2]" 1
478 1 25 LYS HA 1 25 LYS QD . . 4.560 3.159 2.395 4.112 . 0 0 "[ . 1 . 2]" 1
479 1 25 LYS HA 1 25 LYS HG2 . . 4.050 2.746 2.057 3.561 . 0 0 "[ . 1 . 2]" 1
480 1 25 LYS HA 1 25 LYS QG . . 3.450 2.591 2.025 2.748 . 0 0 "[ . 1 . 2]" 1
481 1 25 LYS HA 1 25 LYS HG3 . . 4.050 3.534 2.509 3.817 . 0 0 "[ . 1 . 2]" 1
482 1 25 LYS HA 1 26 HIS H . . 3.150 2.506 2.311 2.731 . 0 0 "[ . 1 . 2]" 1
483 1 25 LYS HA 1 26 HIS HB2 . . 4.850 4.442 4.356 4.575 . 0 0 "[ . 1 . 2]" 1
484 1 25 LYS QB 1 25 LYS QD . . 2.480 2.133 1.972 2.431 . 0 0 "[ . 1 . 2]" 1
485 1 25 LYS HB2 1 26 HIS H . . 4.140 3.471 2.971 3.813 . 0 0 "[ . 1 . 2]" 1
486 1 25 LYS HB3 1 26 HIS H . . 4.140 2.529 2.052 2.966 . 0 0 "[ . 1 . 2]" 1
487 1 25 LYS QD 1 26 HIS H . . 4.750 4.081 3.386 4.753 0.003 6 0 "[ . 1 . 2]" 1
488 1 25 LYS QG 1 26 HIS H . . 4.530 4.255 3.367 4.495 . 0 0 "[ . 1 . 2]" 1
489 1 26 HIS H 1 26 HIS HB2 . . 3.950 2.328 2.220 2.533 . 0 0 "[ . 1 . 2]" 1
490 1 26 HIS HA 1 27 LYS H . . 3.420 2.860 2.778 2.982 . 0 0 "[ . 1 . 2]" 1
491 1 26 HIS HA 1 30 PRO HA . . 4.210 2.846 2.579 2.997 . 0 0 "[ . 1 . 2]" 1
492 1 26 HIS HA 1 31 ASN H . . 4.280 3.961 3.699 4.119 . 0 0 "[ . 1 . 2]" 1
493 1 26 HIS HA 1 31 ASN QB . . 5.140 4.714 4.548 5.001 . 0 0 "[ . 1 . 2]" 1
494 1 26 HIS HA 1 46 TYR HE1 . . 5.500 3.474 3.086 4.641 . 0 0 "[ . 1 . 2]" 1
495 1 26 HIS HB2 1 27 LYS H . . 4.570 4.343 4.202 4.430 . 0 0 "[ . 1 . 2]" 1
496 1 26 HIS HB2 1 46 TYR HD1 . . 4.380 3.318 2.972 3.557 . 0 0 "[ . 1 . 2]" 1
497 1 26 HIS HB3 1 27 LYS H . . 4.650 4.468 4.448 4.501 . 0 0 "[ . 1 . 2]" 1
498 1 26 HIS HB3 1 30 PRO HA . . 4.660 4.570 4.327 4.679 0.019 13 0 "[ . 1 . 2]" 1
499 1 26 HIS HB3 1 46 TYR HD1 . . 3.810 1.995 1.986 2.006 . 0 0 "[ . 1 . 2]" 1
500 1 26 HIS HB3 1 46 TYR HE1 . . 4.320 2.461 1.995 3.871 . 0 0 "[ . 1 . 2]" 1
501 1 26 HIS HD2 1 45 GLY QA . . 4.480 3.987 3.599 4.443 . 0 0 "[ . 1 . 2]" 1
502 1 26 HIS HD2 1 46 TYR HA . . 5.150 2.280 1.996 4.545 . 0 0 "[ . 1 . 2]" 1
503 1 26 HIS HE1 1 30 PRO HA . . 4.690 4.111 2.880 4.605 . 0 0 "[ . 1 . 2]" 1
504 1 26 HIS HE1 1 30 PRO HB2 . . 4.890 4.452 3.356 4.897 0.007 16 0 "[ . 1 . 2]" 1
505 1 26 HIS HE1 1 30 PRO HB3 . . 4.890 4.313 3.397 4.728 . 0 0 "[ . 1 . 2]" 1
506 1 26 HIS HE1 1 31 ASN H . . 3.490 3.035 2.069 3.447 . 0 0 "[ . 1 . 2]" 1
507 1 26 HIS HE1 1 31 ASN HB2 . . 4.180 4.121 3.834 4.183 0.003 11 0 "[ . 1 . 2]" 1
508 1 26 HIS HE1 1 31 ASN QB . . 3.630 3.231 2.771 3.544 . 0 0 "[ . 1 . 2]" 1
509 1 26 HIS HE1 1 31 ASN HB3 . . 4.180 3.390 2.824 3.841 . 0 0 "[ . 1 . 2]" 1
510 1 26 HIS HE1 1 43 ALA MB . . 2.900 2.362 1.913 2.721 . 0 0 "[ . 1 . 2]" 1
511 1 26 HIS HE1 1 44 PRO QD . . 4.570 4.465 3.674 4.575 0.005 8 0 "[ . 1 . 2]" 1
512 1 26 HIS HE1 1 46 TYR QB . . 4.160 3.795 3.454 4.042 . 0 0 "[ . 1 . 2]" 1
513 1 27 LYS H 1 27 LYS QB . . 3.490 2.184 2.001 2.476 . 0 0 "[ . 1 . 2]" 1
514 1 27 LYS H 1 27 LYS QD . . 4.530 3.294 2.190 4.148 . 0 0 "[ . 1 . 2]" 1
515 1 27 LYS H 1 27 LYS QG . . 4.150 3.129 1.931 3.938 . 0 0 "[ . 1 . 2]" 1
516 1 27 LYS HA 1 27 LYS QD . . 3.370 2.691 2.054 3.317 . 0 0 "[ . 1 . 2]" 1
517 1 27 LYS HA 1 27 LYS QE . . 4.660 3.979 1.992 4.612 . 0 0 "[ . 1 . 2]" 1
518 1 27 LYS HA 1 27 LYS QG . . 3.260 2.287 1.984 2.823 . 0 0 "[ . 1 . 2]" 1
519 1 27 LYS QB 1 27 LYS QE . . 3.190 2.213 1.898 2.778 . 0 0 "[ . 1 . 2]" 1
520 1 27 LYS QB 1 29 GLY H . . 4.200 2.919 2.665 3.524 . 0 0 "[ . 1 . 2]" 1
521 1 27 LYS HB2 1 27 LYS QE . . 3.640 2.684 1.990 3.444 . 0 0 "[ . 1 . 2]" 1
522 1 27 LYS HB3 1 27 LYS QE . . 3.640 2.769 1.911 3.551 . 0 0 "[ . 1 . 2]" 1
523 1 27 LYS QD 1 27 LYS QG . . 2.430 2.048 1.998 2.062 . 0 0 "[ . 1 . 2]" 1
524 1 28 THR HA 1 28 THR MG . . 3.430 2.393 2.219 2.557 . 0 0 "[ . 1 . 2]" 1
525 1 28 THR HB 1 29 GLY H . . 3.610 3.049 2.925 3.613 0.003 12 0 "[ . 1 . 2]" 1
526 1 28 THR MG 1 29 GLY H . . 4.350 3.881 3.562 4.308 . 0 0 "[ . 1 . 2]" 1
527 1 29 GLY H 1 30 PRO QD . . 4.680 4.300 4.205 4.319 . 0 0 "[ . 1 . 2]" 1
528 1 29 GLY QA 1 30 PRO QD . . 3.200 1.884 1.843 1.907 . 0 0 "[ . 1 . 2]" 1
529 1 30 PRO HA 1 31 ASN H . . 3.310 2.391 2.182 2.467 . 0 0 "[ . 1 . 2]" 1
530 1 30 PRO HA 1 31 ASN HA . . 4.800 4.177 4.164 4.198 . 0 0 "[ . 1 . 2]" 1
531 1 30 PRO HA 1 32 LEU QD . . 5.480 5.019 4.650 5.299 . 0 0 "[ . 1 . 2]" 1
532 1 30 PRO QB 1 43 ALA MB . . 3.610 2.894 2.315 3.228 . 0 0 "[ . 1 . 2]" 1
533 1 30 PRO QD 1 46 TYR HE2 . . 4.260 3.179 2.946 3.719 . 0 0 "[ . 1 . 2]" 1
534 1 30 PRO QG 1 32 LEU QD . . 4.690 3.261 3.021 3.503 . 0 0 "[ . 1 . 2]" 1
535 1 30 PRO QG 1 46 TYR HE2 . . 4.650 1.986 1.976 2.003 . 0 0 "[ . 1 . 2]" 1
536 1 30 PRO QG 1 48 TYR QE . . 3.520 2.071 1.944 2.226 . 0 0 "[ . 1 . 2]" 1
537 1 30 PRO HG2 1 48 TYR QE . . 4.340 2.957 2.462 3.259 . 0 0 "[ . 1 . 2]" 1
538 1 30 PRO HG3 1 48 TYR QE . . 4.340 2.126 1.994 2.534 . 0 0 "[ . 1 . 2]" 1
539 1 31 ASN H 1 31 ASN HB2 . . 3.810 2.704 2.566 2.845 . 0 0 "[ . 1 . 2]" 1
540 1 31 ASN H 1 31 ASN HB3 . . 3.810 2.310 2.256 2.401 . 0 0 "[ . 1 . 2]" 1
541 1 31 ASN HA 1 31 ASN HD21 . . 4.640 2.505 2.208 3.195 . 0 0 "[ . 1 . 2]" 1
542 1 31 ASN HA 1 31 ASN HD22 . . 4.260 3.826 3.719 4.073 . 0 0 "[ . 1 . 2]" 1
543 1 31 ASN HA 1 32 LEU H . . 3.160 2.385 2.253 2.502 . 0 0 "[ . 1 . 2]" 1
544 1 31 ASN HA 1 32 LEU HG . . 4.380 3.919 3.562 4.383 0.003 11 0 "[ . 1 . 2]" 1
545 1 31 ASN HB2 1 32 LEU H . . 4.980 3.976 3.719 4.397 . 0 0 "[ . 1 . 2]" 1
546 1 31 ASN HB3 1 32 LEU H . . 4.980 4.075 3.799 4.520 . 0 0 "[ . 1 . 2]" 1
547 1 32 LEU H 1 32 LEU QB . . 3.380 2.499 2.229 2.692 . 0 0 "[ . 1 . 2]" 1
548 1 32 LEU H 1 32 LEU QD . . 4.530 3.357 2.694 3.632 . 0 0 "[ . 1 . 2]" 1
549 1 32 LEU H 1 32 LEU HG . . 3.680 3.068 2.597 3.350 . 0 0 "[ . 1 . 2]" 1
550 1 32 LEU H 1 33 HIS H . . 3.750 2.765 1.904 3.752 0.002 6 0 "[ . 1 . 2]" 1
551 1 32 LEU H 1 33 HIS HA . . 5.120 4.655 4.368 5.127 0.007 8 0 "[ . 1 . 2]" 1
552 1 32 LEU HA 1 32 LEU QD . . 3.140 1.931 1.871 2.020 . 0 0 "[ . 1 . 2]" 1
553 1 32 LEU HA 1 35 LEU HB2 . . 4.660 2.757 2.233 3.438 . 0 0 "[ . 1 . 2]" 1
554 1 32 LEU HA 1 35 LEU HB3 . . 5.230 3.345 2.689 4.652 . 0 0 "[ . 1 . 2]" 1
555 1 32 LEU HA 1 35 LEU QD . . 4.330 3.314 2.672 4.232 . 0 0 "[ . 1 . 2]" 1
556 1 32 LEU QB 1 33 HIS H . . 4.580 3.337 1.941 3.990 . 0 0 "[ . 1 . 2]" 1
557 1 32 LEU QB 1 35 LEU HB2 . . 4.930 3.932 3.123 4.624 . 0 0 "[ . 1 . 2]" 1
558 1 32 LEU QD 1 35 LEU H . . 5.500 4.341 3.798 4.819 . 0 0 "[ . 1 . 2]" 1
559 1 32 LEU QD 1 35 LEU MD1 . . 4.540 2.749 1.920 3.221 . 0 0 "[ . 1 . 2]" 1
560 1 32 LEU QD 1 35 LEU QD . . 3.100 1.968 1.741 2.709 . 0 0 "[ . 1 . 2]" 1
561 1 32 LEU QD 1 35 LEU MD2 . . 4.540 2.279 1.749 3.529 . 0 0 "[ . 1 . 2]" 1
562 1 32 LEU QD 1 48 TYR QE . . 5.500 5.124 4.450 5.277 . 0 0 "[ . 1 . 2]" 1
563 1 32 LEU QD 1 98 LEU MD2 . . 3.620 3.076 2.407 3.545 . 0 0 "[ . 1 . 2]" 1
564 1 32 LEU HG 1 33 HIS H . . 5.250 4.893 4.246 5.262 0.012 19 0 "[ . 1 . 2]" 1
565 1 33 HIS H 1 33 HIS QB . . 3.180 2.356 2.049 2.849 . 0 0 "[ . 1 . 2]" 1
566 1 33 HIS HA 1 34 GLY H . . 3.050 2.389 2.196 2.910 . 0 0 "[ . 1 . 2]" 1
567 1 33 HIS HA 1 102 THR HA . . 3.740 3.235 2.610 3.713 . 0 0 "[ . 1 . 2]" 1
568 1 33 HIS HA 1 102 THR HB . . 4.220 2.711 2.000 3.700 . 0 0 "[ . 1 . 2]" 1
569 1 33 HIS HA 1 102 THR MG . . 4.820 4.066 3.499 4.823 0.003 6 0 "[ . 1 . 2]" 1
570 1 33 HIS QB 1 34 GLY H . . 4.850 4.049 3.939 4.118 . 0 0 "[ . 1 . 2]" 1
571 1 33 HIS HD2 1 102 THR HA . . 4.350 3.191 2.233 4.350 0.000 6 0 "[ . 1 . 2]" 1
572 1 34 GLY H 1 35 LEU H . . 3.740 2.175 1.898 2.912 . 0 0 "[ . 1 . 2]" 1
573 1 34 GLY H 1 102 THR HA . . 4.680 4.270 3.577 4.680 0.000 17 0 "[ . 1 . 2]" 1
574 1 34 GLY H 1 102 THR HB . . 3.930 3.291 2.558 3.617 . 0 0 "[ . 1 . 2]" 1
575 1 34 GLY H 1 102 THR MG . . 4.550 3.453 3.032 4.088 . 0 0 "[ . 1 . 2]" 1
576 1 35 LEU H 1 35 LEU HB2 . . 3.360 2.905 2.541 3.185 . 0 0 "[ . 1 . 2]" 1
577 1 35 LEU H 1 35 LEU HB3 . . 3.560 2.251 2.076 2.494 . 0 0 "[ . 1 . 2]" 1
578 1 35 LEU H 1 35 LEU MD1 . . 4.740 4.300 3.389 4.471 . 0 0 "[ . 1 . 2]" 1
579 1 35 LEU H 1 35 LEU QD . . 4.040 3.622 3.250 3.782 . 0 0 "[ . 1 . 2]" 1
580 1 35 LEU H 1 35 LEU MD2 . . 4.740 3.949 3.373 4.221 . 0 0 "[ . 1 . 2]" 1
581 1 35 LEU H 1 36 PHE H . . 4.050 2.435 1.996 2.850 . 0 0 "[ . 1 . 2]" 1
582 1 35 LEU H 1 102 THR HB . . 4.670 4.599 4.240 4.673 0.003 15 0 "[ . 1 . 2]" 1
583 1 35 LEU H 1 102 THR MG . . 4.710 3.845 3.104 4.434 . 0 0 "[ . 1 . 2]" 1
584 1 35 LEU HA 1 35 LEU MD1 . . 4.100 2.814 2.237 3.629 . 0 0 "[ . 1 . 2]" 1
585 1 35 LEU HA 1 35 LEU QD . . 3.210 2.652 2.226 3.214 0.004 4 0 "[ . 1 . 2]" 1
586 1 35 LEU HA 1 35 LEU MD2 . . 4.100 3.833 2.260 4.053 . 0 0 "[ . 1 . 2]" 1
587 1 35 LEU HA 1 35 LEU HG . . 4.130 3.075 2.729 3.943 . 0 0 "[ . 1 . 2]" 1
588 1 35 LEU HA 1 38 ARG H . . 5.500 4.193 3.374 5.350 . 0 0 "[ . 1 . 2]" 1
589 1 35 LEU HA 1 38 ARG QD . . 4.310 2.143 1.787 3.684 . 0 0 "[ . 1 . 2]" 1
590 1 35 LEU HA 1 38 ARG HE . . 4.690 3.595 2.320 4.690 0.000 20 0 "[ . 1 . 2]" 1
591 1 35 LEU HA 1 38 ARG QG . . 5.280 2.406 1.986 3.352 . 0 0 "[ . 1 . 2]" 1
592 1 35 LEU HB2 1 35 LEU MD1 . . 3.670 2.180 1.999 3.195 . 0 0 "[ . 1 . 2]" 1
593 1 35 LEU HB2 1 35 LEU QD . . 3.050 2.062 1.978 2.355 . 0 0 "[ . 1 . 2]" 1
594 1 35 LEU HB2 1 35 LEU MD2 . . 3.670 2.729 2.425 3.172 . 0 0 "[ . 1 . 2]" 1
595 1 35 LEU HB2 1 36 PHE H . . 4.840 4.232 3.738 4.561 . 0 0 "[ . 1 . 2]" 1
596 1 35 LEU HB2 1 36 PHE QD . . 4.990 4.770 4.310 4.978 . 0 0 "[ . 1 . 2]" 1
597 1 35 LEU HB3 1 36 PHE H . . 4.110 3.105 2.244 4.105 . 0 0 "[ . 1 . 2]" 1
598 1 35 LEU HB3 1 36 PHE QD . . 3.380 3.213 2.913 3.384 0.004 16 0 "[ . 1 . 2]" 1
599 1 35 LEU QD 1 36 PHE H . . 5.290 3.605 2.542 4.593 . 0 0 "[ . 1 . 2]" 1
600 1 35 LEU QD 1 36 PHE HA . . 5.440 3.715 2.458 4.671 . 0 0 "[ . 1 . 2]" 1
601 1 35 LEU QD 1 36 PHE QD . . 4.300 3.492 2.017 4.117 . 0 0 "[ . 1 . 2]" 1
602 1 35 LEU QD 1 36 PHE QE . . 4.200 3.438 2.475 4.168 . 0 0 "[ . 1 . 2]" 1
603 1 35 LEU QD 1 59 TRP QB . . 4.620 2.451 1.752 3.044 . 0 0 "[ . 1 . 2]" 1
604 1 35 LEU QD 1 59 TRP HD1 . . 3.230 2.138 1.808 2.941 . 0 0 "[ . 1 . 2]" 1
605 1 35 LEU QD 1 59 TRP HE1 . . 4.480 3.027 2.599 3.493 . 0 0 "[ . 1 . 2]" 1
606 1 35 LEU HG 1 36 PHE QD . . 4.640 4.467 3.897 4.642 0.002 16 0 "[ . 1 . 2]" 1
607 1 35 LEU HG 1 59 TRP QB . . 4.560 2.639 2.106 4.080 . 0 0 "[ . 1 . 2]" 1
608 1 35 LEU HG 1 59 TRP HD1 . . 4.320 3.027 2.138 4.255 . 0 0 "[ . 1 . 2]" 1
609 1 36 PHE H 1 36 PHE HB2 . . 3.840 2.284 2.060 2.597 . 0 0 "[ . 1 . 2]" 1
610 1 36 PHE H 1 36 PHE QB . . 3.310 2.252 2.043 2.531 . 0 0 "[ . 1 . 2]" 1
611 1 36 PHE H 1 36 PHE HB3 . . 3.840 3.468 3.388 3.512 . 0 0 "[ . 1 . 2]" 1
612 1 36 PHE H 1 36 PHE QD . . 2.930 2.007 1.945 2.477 . 0 0 "[ . 1 . 2]" 1
613 1 36 PHE HA 1 36 PHE QD . . 3.240 3.101 2.976 3.202 . 0 0 "[ . 1 . 2]" 1
614 1 36 PHE HA 1 36 PHE QE . . 5.020 4.722 4.595 4.781 . 0 0 "[ . 1 . 2]" 1
615 1 36 PHE HA 1 37 GLY H . . 3.000 2.258 2.193 2.427 . 0 0 "[ . 1 . 2]" 1
616 1 36 PHE HA 1 38 ARG H . . 3.970 3.676 3.204 3.972 0.002 14 0 "[ . 1 . 2]" 1
617 1 36 PHE HA 1 58 ILE MG . . 5.500 4.891 4.396 5.384 . 0 0 "[ . 1 . 2]" 1
618 1 36 PHE HA 1 59 TRP QB . . 4.450 3.059 2.773 3.413 . 0 0 "[ . 1 . 2]" 1
619 1 36 PHE HA 1 59 TRP HD1 . . 5.500 5.460 5.268 5.502 0.002 16 0 "[ . 1 . 2]" 1
620 1 36 PHE QB 1 38 ARG H . . 5.340 4.961 4.640 5.219 . 0 0 "[ . 1 . 2]" 1
621 1 36 PHE QD 1 37 GLY H . . 5.080 4.698 4.068 4.969 . 0 0 "[ . 1 . 2]" 1
622 1 36 PHE QD 1 60 GLY QA . . 3.180 2.527 1.989 3.181 0.001 3 0 "[ . 1 . 2]" 1
623 1 36 PHE QD 1 61 GLU QG . . 4.480 3.886 3.004 4.481 0.001 16 0 "[ . 1 . 2]" 1
624 1 36 PHE QD 1 64 LEU QD . . 4.270 3.331 2.919 3.735 . 0 0 "[ . 1 . 2]" 1
625 1 36 PHE QD 1 99 LYS QD . . 4.680 3.874 3.359 4.285 . 0 0 "[ . 1 . 2]" 1
626 1 36 PHE QD 1 99 LYS QG . . 4.870 4.110 3.436 4.608 . 0 0 "[ . 1 . 2]" 1
627 1 36 PHE QD 1 102 THR MG . . 4.560 2.604 2.088 3.112 . 0 0 "[ . 1 . 2]" 1
628 1 36 PHE QE 1 61 GLU HA . . 4.190 3.455 2.226 4.189 . 0 0 "[ . 1 . 2]" 1
629 1 36 PHE QE 1 61 GLU QB . . 5.500 4.975 3.718 5.494 . 0 0 "[ . 1 . 2]" 1
630 1 36 PHE QE 1 61 GLU QG . . 3.860 3.568 2.868 3.860 0.000 7 0 "[ . 1 . 2]" 1
631 1 36 PHE QE 1 64 LEU MD1 . . 4.510 2.322 1.815 3.610 . 0 0 "[ . 1 . 2]" 1
632 1 36 PHE QE 1 64 LEU QD . . 3.670 2.184 1.813 2.795 . 0 0 "[ . 1 . 2]" 1
633 1 36 PHE QE 1 64 LEU MD2 . . 4.510 4.003 2.059 4.508 . 0 0 "[ . 1 . 2]" 1
634 1 36 PHE QE 1 95 ILE HA . . 4.690 4.545 4.211 4.693 0.003 7 0 "[ . 1 . 2]" 1
635 1 36 PHE QE 1 95 ILE MG . . 4.060 2.526 2.102 2.996 . 0 0 "[ . 1 . 2]" 1
636 1 36 PHE QE 1 98 LEU HA . . 5.270 5.006 4.505 5.271 0.001 3 0 "[ . 1 . 2]" 1
637 1 36 PHE QE 1 98 LEU HB2 . . 3.650 3.400 2.897 3.652 0.002 14 0 "[ . 1 . 2]" 1
638 1 36 PHE QE 1 98 LEU HB3 . . 3.360 2.727 2.162 3.274 . 0 0 "[ . 1 . 2]" 1
639 1 36 PHE QE 1 99 LYS H . . 5.060 4.962 4.513 5.066 0.006 16 0 "[ . 1 . 2]" 1
640 1 36 PHE QE 1 99 LYS QD . . 3.350 2.946 2.063 3.351 0.001 12 0 "[ . 1 . 2]" 1
641 1 36 PHE QE 1 102 THR MG . . 4.290 2.743 2.120 3.412 . 0 0 "[ . 1 . 2]" 1
642 1 36 PHE HZ 1 64 LEU QD . . 4.190 2.277 1.806 2.724 . 0 0 "[ . 1 . 2]" 1
643 1 36 PHE HZ 1 95 ILE MG . . 3.600 2.782 2.057 3.414 . 0 0 "[ . 1 . 2]" 1
644 1 36 PHE HZ 1 98 LEU HB2 . . 4.370 3.003 2.559 3.558 . 0 0 "[ . 1 . 2]" 1
645 1 36 PHE HZ 1 98 LEU HB3 . . 4.170 3.376 2.613 4.166 . 0 0 "[ . 1 . 2]" 1
646 1 36 PHE HZ 1 99 LYS H . . 5.300 5.103 4.927 5.301 0.001 14 0 "[ . 1 . 2]" 1
647 1 37 GLY H 1 38 ARG H . . 3.320 2.093 1.896 2.713 . 0 0 "[ . 1 . 2]" 1
648 1 37 GLY H 1 58 ILE MG . . 3.780 3.387 2.974 3.745 . 0 0 "[ . 1 . 2]" 1
649 1 37 GLY QA 1 58 ILE MG . . 3.170 3.082 2.606 3.172 0.002 17 0 "[ . 1 . 2]" 1
650 1 38 ARG H 1 38 ARG HB2 . . 3.890 3.769 3.580 3.894 0.004 17 0 "[ . 1 . 2]" 1
651 1 38 ARG H 1 38 ARG QB . . 3.390 2.882 2.424 3.270 . 0 0 "[ . 1 . 2]" 1
652 1 38 ARG H 1 38 ARG HB3 . . 3.890 3.004 2.465 3.513 . 0 0 "[ . 1 . 2]" 1
653 1 38 ARG H 1 38 ARG HG2 . . 4.520 2.368 1.964 2.899 . 0 0 "[ . 1 . 2]" 1
654 1 38 ARG H 1 38 ARG QG . . 3.960 2.255 1.945 2.557 . 0 0 "[ . 1 . 2]" 1
655 1 38 ARG H 1 38 ARG HG3 . . 4.520 3.188 2.376 3.895 . 0 0 "[ . 1 . 2]" 1
656 1 38 ARG H 1 58 ILE MG . . 4.230 3.749 3.041 4.234 0.004 16 0 "[ . 1 . 2]" 1
657 1 38 ARG H 1 59 TRP QB . . 4.800 3.753 3.114 4.285 . 0 0 "[ . 1 . 2]" 1
658 1 38 ARG H 1 59 TRP HD1 . . 5.290 4.771 4.312 5.216 . 0 0 "[ . 1 . 2]" 1
659 1 38 ARG HA 1 38 ARG QG . . 3.630 3.332 3.318 3.421 . 0 0 "[ . 1 . 2]" 1
660 1 38 ARG HA 1 39 LYS H . . 3.040 2.464 2.332 2.767 . 0 0 "[ . 1 . 2]" 1
661 1 38 ARG HA 1 58 ILE MG . . 4.560 3.967 3.189 4.321 . 0 0 "[ . 1 . 2]" 1
662 1 38 ARG QB 1 38 ARG QD . . 3.430 2.255 2.109 2.418 . 0 0 "[ . 1 . 2]" 1
663 1 38 ARG QB 1 38 ARG HE . . 4.330 2.590 1.936 3.952 . 0 0 "[ . 1 . 2]" 1
664 1 38 ARG QB 1 38 ARG QG . . 2.340 2.123 2.061 2.135 . 0 0 "[ . 1 . 2]" 1
665 1 38 ARG HB2 1 39 LYS H . . 4.230 2.653 2.173 3.011 . 0 0 "[ . 1 . 2]" 1
666 1 38 ARG HB3 1 39 LYS H . . 4.230 3.954 3.640 4.219 . 0 0 "[ . 1 . 2]" 1
667 1 38 ARG QD 1 42 GLN HB2 . . 4.800 3.278 2.195 4.345 . 0 0 "[ . 1 . 2]" 1
668 1 38 ARG QD 1 42 GLN HB3 . . 4.800 3.911 2.164 4.802 0.002 15 0 "[ . 1 . 2]" 1
669 1 38 ARG QD 1 42 GLN QG . . 4.780 3.508 2.125 4.501 . 0 0 "[ . 1 . 2]" 1
670 1 38 ARG HE 1 38 ARG HG2 . . 4.190 3.084 2.226 4.051 . 0 0 "[ . 1 . 2]" 1
671 1 38 ARG HE 1 38 ARG HG3 . . 4.190 2.972 2.172 3.725 . 0 0 "[ . 1 . 2]" 1
672 1 38 ARG QG 1 39 LYS H . . 3.740 3.511 2.542 3.741 0.001 10 0 "[ . 1 . 2]" 1
673 1 38 ARG QG 1 59 TRP HD1 . . 4.630 3.154 2.552 3.831 . 0 0 "[ . 1 . 2]" 1
674 1 39 LYS H 1 39 LYS HB2 . . 3.960 2.462 2.082 3.025 . 0 0 "[ . 1 . 2]" 1
675 1 39 LYS H 1 39 LYS QB . . 3.340 2.319 2.041 2.523 . 0 0 "[ . 1 . 2]" 1
676 1 39 LYS H 1 39 LYS HB3 . . 3.960 3.215 2.366 3.657 . 0 0 "[ . 1 . 2]" 1
677 1 39 LYS H 1 39 LYS QE . . 5.330 4.426 2.839 5.330 . 0 0 "[ . 1 . 2]" 1
678 1 39 LYS H 1 39 LYS QG . . 4.030 3.030 1.935 4.030 . 12 0 "[ . 1 . 2]" 1
679 1 39 LYS H 1 58 ILE MD . . 4.500 3.692 2.766 4.504 0.004 7 0 "[ . 1 . 2]" 1
680 1 39 LYS H 1 58 ILE MG . . 5.130 4.644 3.944 5.126 . 0 0 "[ . 1 . 2]" 1
681 1 39 LYS HA 1 39 LYS QG . . 3.780 2.337 2.045 2.501 . 0 0 "[ . 1 . 2]" 1
682 1 39 LYS HA 1 40 THR H . . 3.160 2.651 2.452 2.779 . 0 0 "[ . 1 . 2]" 1
683 1 39 LYS HA 1 40 THR MG . . 4.550 3.316 3.165 3.822 . 0 0 "[ . 1 . 2]" 1
684 1 39 LYS HA 1 58 ILE HA . . 3.070 2.433 2.003 3.071 0.001 1 0 "[ . 1 . 2]" 1
685 1 39 LYS HA 1 58 ILE MD . . 4.520 3.070 1.960 4.522 0.002 20 0 "[ . 1 . 2]" 1
686 1 39 LYS HA 1 58 ILE HG12 . . 5.350 4.056 2.924 5.274 . 0 0 "[ . 1 . 2]" 1
687 1 39 LYS HA 1 58 ILE QG . . 4.680 3.850 2.866 4.673 . 0 0 "[ . 1 . 2]" 1
688 1 39 LYS HA 1 58 ILE HG13 . . 5.350 5.039 4.034 5.349 . 0 0 "[ . 1 . 2]" 1
689 1 39 LYS HA 1 58 ILE MG . . 4.120 3.904 3.540 4.121 0.001 10 0 "[ . 1 . 2]" 1
690 1 39 LYS HA 1 59 TRP H . . 4.060 3.247 2.481 3.940 . 0 0 "[ . 1 . 2]" 1
691 1 39 LYS QB 1 42 GLN QG . . 3.990 3.003 2.281 3.821 . 0 0 "[ . 1 . 2]" 1
692 1 39 LYS QB 1 58 ILE MG . . 5.340 4.839 4.124 5.273 . 0 0 "[ . 1 . 2]" 1
693 1 39 LYS HB2 1 40 THR H . . 4.120 3.482 2.976 4.108 . 0 0 "[ . 1 . 2]" 1
694 1 39 LYS HB2 1 42 GLN QG . . 4.720 3.487 2.573 4.469 . 0 0 "[ . 1 . 2]" 1
695 1 39 LYS HB3 1 40 THR H . . 4.120 2.556 1.950 3.692 . 0 0 "[ . 1 . 2]" 1
696 1 39 LYS HB3 1 42 GLN QG . . 4.720 3.714 2.314 4.708 . 0 0 "[ . 1 . 2]" 1
697 1 39 LYS QD 1 40 THR H . . 4.720 4.106 3.064 4.720 . 0 0 "[ . 1 . 2]" 1
698 1 39 LYS QE 1 39 LYS QG . . 3.280 2.299 2.070 2.618 . 0 0 "[ . 1 . 2]" 1
699 1 39 LYS QE 1 58 ILE MD . . 4.100 2.790 1.820 3.974 . 0 0 "[ . 1 . 2]" 1
700 1 39 LYS QG 1 40 THR H . . 4.060 3.095 1.777 4.059 . 0 0 "[ . 1 . 2]" 1
701 1 39 LYS QG 1 58 ILE HA . . 4.370 3.201 2.208 4.131 . 0 0 "[ . 1 . 2]" 1
702 1 39 LYS QG 1 58 ILE MD . . 3.430 2.314 1.652 3.436 0.006 7 0 "[ . 1 . 2]" 1
703 1 40 THR H 1 40 THR MG . . 3.220 2.212 1.973 2.637 . 0 0 "[ . 1 . 2]" 1
704 1 40 THR H 1 41 GLY H . . 4.740 4.555 4.490 4.618 . 0 0 "[ . 1 . 2]" 1
705 1 40 THR H 1 56 GLY QA . . 4.790 3.201 2.652 3.786 . 0 0 "[ . 1 . 2]" 1
706 1 40 THR H 1 57 ILE H . . 4.520 3.099 2.357 4.010 . 0 0 "[ . 1 . 2]" 1
707 1 40 THR H 1 57 ILE MD . . 4.560 4.001 3.298 4.561 0.001 6 0 "[ . 1 . 2]" 1
708 1 40 THR H 1 58 ILE HA . . 4.640 4.498 4.072 4.645 0.005 14 0 "[ . 1 . 2]" 1
709 1 40 THR H 1 59 TRP H . . 5.150 4.861 4.440 5.150 0.000 3 0 "[ . 1 . 2]" 1
710 1 40 THR HA 1 40 THR MG . . 3.060 2.521 2.249 2.606 . 0 0 "[ . 1 . 2]" 1
711 1 40 THR HA 1 41 GLY H . . 3.240 2.386 2.156 2.639 . 0 0 "[ . 1 . 2]" 1
712 1 40 THR HA 1 41 GLY HA2 . . 4.800 4.471 4.346 4.563 . 0 0 "[ . 1 . 2]" 1
713 1 40 THR HA 1 41 GLY HA3 . . 4.890 4.551 4.388 4.726 . 0 0 "[ . 1 . 2]" 1
714 1 40 THR HA 1 52 ASN HD22 . . 4.700 3.878 3.144 4.694 . 0 0 "[ . 1 . 2]" 1
715 1 40 THR HA 1 59 TRP HD1 . . 4.160 3.475 2.742 4.160 0.000 12 0 "[ . 1 . 2]" 1
716 1 40 THR HA 1 59 TRP HE1 . . 3.290 2.525 1.948 3.168 . 0 0 "[ . 1 . 2]" 1
717 1 40 THR HB 1 41 GLY H . . 4.260 2.854 2.228 3.529 . 0 0 "[ . 1 . 2]" 1
718 1 40 THR HB 1 41 GLY HA3 . . 4.890 4.519 4.079 4.891 0.001 6 0 "[ . 1 . 2]" 1
719 1 40 THR HB 1 53 LYS HA . . 4.550 4.141 3.286 4.553 0.003 14 0 "[ . 1 . 2]" 1
720 1 40 THR HB 1 59 TRP HZ2 . . 4.480 3.528 3.073 3.946 . 0 0 "[ . 1 . 2]" 1
721 1 40 THR HG1 1 53 LYS HA . . 3.850 3.010 2.114 3.836 . 0 0 "[ . 1 . 2]" 1
722 1 40 THR MG 1 41 GLY H . . 4.760 4.045 3.646 4.321 . 0 0 "[ . 1 . 2]" 1
723 1 40 THR MG 1 55 LYS HB2 . . 4.430 3.802 2.687 4.431 0.001 4 0 "[ . 1 . 2]" 1
724 1 40 THR MG 1 55 LYS QB . . 3.720 3.074 2.286 3.711 . 0 0 "[ . 1 . 2]" 1
725 1 40 THR MG 1 55 LYS HB3 . . 4.430 3.391 2.315 4.368 . 0 0 "[ . 1 . 2]" 1
726 1 40 THR MG 1 57 ILE H . . 3.510 2.011 1.885 2.535 . 0 0 "[ . 1 . 2]" 1
727 1 40 THR MG 1 57 ILE MD . . 3.010 2.011 1.704 2.656 . 0 0 "[ . 1 . 2]" 1
728 1 40 THR MG 1 57 ILE QG . . 3.650 2.476 1.875 3.171 . 0 0 "[ . 1 . 2]" 1
729 1 40 THR MG 1 59 TRP HE1 . . 3.680 2.145 1.881 2.505 . 0 0 "[ . 1 . 2]" 1
730 1 40 THR MG 1 59 TRP HZ2 . . 3.150 2.335 1.994 2.760 . 0 0 "[ . 1 . 2]" 1
731 1 41 GLY H 1 48 TYR QE . . 4.860 3.526 3.106 3.952 . 0 0 "[ . 1 . 2]" 1
732 1 41 GLY H 1 59 TRP HE1 . . 4.440 3.990 3.065 4.439 . 0 0 "[ . 1 . 2]" 1
733 1 41 GLY HA2 1 48 TYR QD . . 4.580 2.648 2.416 3.276 . 0 0 "[ . 1 . 2]" 1
734 1 41 GLY HA2 1 53 LYS HA . . 5.500 4.556 4.236 5.225 . 0 0 "[ . 1 . 2]" 1
735 1 41 GLY HA2 1 53 LYS QB . . 5.500 4.934 4.421 5.458 . 0 0 "[ . 1 . 2]" 1
736 1 41 GLY HA2 1 53 LYS HD2 . . 5.500 4.634 4.125 5.310 . 0 0 "[ . 1 . 2]" 1
737 1 41 GLY HA3 1 48 TYR QD . . 5.150 3.831 3.370 4.189 . 0 0 "[ . 1 . 2]" 1
738 1 41 GLY HA3 1 48 TYR QE . . 5.270 4.160 3.949 4.387 . 0 0 "[ . 1 . 2]" 1
739 1 41 GLY HA3 1 52 ASN HD22 . . 5.220 4.634 2.758 5.223 0.003 18 0 "[ . 1 . 2]" 1
740 1 41 GLY HA3 1 53 LYS HA . . 4.060 3.274 3.012 3.799 . 0 0 "[ . 1 . 2]" 1
741 1 41 GLY HA3 1 53 LYS QB . . 4.720 3.620 3.120 4.101 . 0 0 "[ . 1 . 2]" 1
742 1 41 GLY HA3 1 53 LYS HD2 . . 5.310 4.460 4.079 5.270 . 0 0 "[ . 1 . 2]" 1
743 1 41 GLY HA3 1 53 LYS QG . . 4.260 2.310 1.975 2.892 . 0 0 "[ . 1 . 2]" 1
744 1 42 GLN H 1 42 GLN QG . . 4.010 2.825 2.254 4.014 0.004 19 0 "[ . 1 . 2]" 1
745 1 42 GLN H 1 43 ALA H . . 3.820 2.287 1.899 3.217 . 0 0 "[ . 1 . 2]" 1
746 1 42 GLN HA 1 42 GLN QE . . 4.620 2.354 1.934 3.777 . 0 0 "[ . 1 . 2]" 1
747 1 42 GLN HA 1 42 GLN QG . . 3.720 2.855 2.389 3.147 . 0 0 "[ . 1 . 2]" 1
748 1 42 GLN HA 1 48 TYR QE . . 5.500 4.350 3.950 4.969 . 0 0 "[ . 1 . 2]" 1
749 1 43 ALA H 1 43 ALA MB . . 3.310 2.044 1.962 2.554 . 0 0 "[ . 1 . 2]" 1
750 1 43 ALA H 1 48 TYR QE . . 3.640 2.097 1.944 2.541 . 0 0 "[ . 1 . 2]" 1
751 1 43 ALA H 1 48 TYR HH . . 3.900 3.073 2.312 3.904 0.004 6 0 "[ . 1 . 2]" 1
752 1 43 ALA HA 1 44 PRO HD2 . . 3.270 2.208 2.184 2.506 . 0 0 "[ . 1 . 2]" 1
753 1 43 ALA HA 1 44 PRO QD . . 2.780 1.921 1.864 1.948 . 0 0 "[ . 1 . 2]" 1
754 1 43 ALA HA 1 44 PRO HD3 . . 3.270 2.124 1.924 2.189 . 0 0 "[ . 1 . 2]" 1
755 1 43 ALA HA 1 44 PRO HG2 . . 4.790 4.366 4.351 4.494 . 0 0 "[ . 1 . 2]" 1
756 1 43 ALA HA 1 44 PRO QG . . 4.130 3.869 3.819 3.893 . 0 0 "[ . 1 . 2]" 1
757 1 43 ALA HA 1 44 PRO HG3 . . 4.790 4.321 4.196 4.369 . 0 0 "[ . 1 . 2]" 1
758 1 43 ALA MB 1 44 PRO HD2 . . 4.030 3.462 2.734 3.569 . 0 0 "[ . 1 . 2]" 1
759 1 43 ALA MB 1 44 PRO HD3 . . 4.030 3.798 3.304 3.862 . 0 0 "[ . 1 . 2]" 1
760 1 43 ALA MB 1 46 TYR HB2 . . 4.700 2.582 2.017 4.494 . 0 0 "[ . 1 . 2]" 1
761 1 43 ALA MB 1 46 TYR QB . . 4.040 2.344 1.957 2.987 . 0 0 "[ . 1 . 2]" 1
762 1 43 ALA MB 1 46 TYR HB3 . . 4.700 2.830 2.455 3.460 . 0 0 "[ . 1 . 2]" 1
763 1 43 ALA MB 1 48 TYR QE . . 3.700 2.150 1.893 2.698 . 0 0 "[ . 1 . 2]" 1
764 1 43 ALA MB 1 48 TYR HH . . 4.480 2.647 2.072 3.307 . 0 0 "[ . 1 . 2]" 1
765 1 44 PRO HA 1 48 TYR QE . . 5.500 5.420 4.933 5.479 . 0 0 "[ . 1 . 2]" 1
766 1 46 TYR H 1 46 TYR HB2 . . 3.780 2.626 2.107 2.814 . 0 0 "[ . 1 . 2]" 1
767 1 46 TYR H 1 46 TYR QB . . 3.300 2.237 2.031 2.336 . 0 0 "[ . 1 . 2]" 1
768 1 46 TYR H 1 46 TYR HB3 . . 3.780 2.441 2.318 2.664 . 0 0 "[ . 1 . 2]" 1
769 1 46 TYR HA 1 46 TYR HD1 . . 4.100 2.071 1.981 3.127 . 0 0 "[ . 1 . 2]" 1
770 1 46 TYR HA 1 47 SER H . . 3.530 2.445 2.236 2.529 . 0 0 "[ . 1 . 2]" 1
771 1 46 TYR QB 1 46 TYR HE1 . . 4.840 4.701 4.505 4.721 . 0 0 "[ . 1 . 2]" 1
772 1 46 TYR QB 1 48 TYR QE . . 4.430 3.697 3.498 4.376 . 0 0 "[ . 1 . 2]" 1
773 1 46 TYR HE1 1 48 TYR HA . . 5.440 5.430 5.115 5.466 0.026 12 0 "[ . 1 . 2]" 1
774 1 46 TYR HE2 1 48 TYR HA . . 3.490 3.141 2.832 3.490 . 0 0 "[ . 1 . 2]" 1
775 1 46 TYR HE2 1 48 TYR QB . . 5.270 4.450 4.204 4.704 . 0 0 "[ . 1 . 2]" 1
776 1 47 SER HA 1 48 TYR H . . 3.030 2.625 2.237 2.846 . 0 0 "[ . 1 . 2]" 1
777 1 47 SER QB 1 48 TYR H . . 3.940 3.951 3.807 3.976 0.036 10 0 "[ . 1 . 2]" 1
778 1 48 TYR H 1 48 TYR HB2 . . 3.780 2.012 1.941 2.147 . 0 0 "[ . 1 . 2]" 1
779 1 48 TYR H 1 48 TYR QB . . 3.140 1.996 1.928 2.126 . 0 0 "[ . 1 . 2]" 1
780 1 48 TYR H 1 48 TYR HB3 . . 3.780 3.352 3.302 3.418 . 0 0 "[ . 1 . 2]" 1
781 1 48 TYR H 1 48 TYR QD . . 3.740 3.125 1.947 3.352 . 0 0 "[ . 1 . 2]" 1
782 1 48 TYR HA 1 48 TYR QD . . 4.070 2.304 2.067 3.177 . 0 0 "[ . 1 . 2]" 1
783 1 48 TYR HA 1 49 THR H . . 3.260 2.655 2.354 2.795 . 0 0 "[ . 1 . 2]" 1
784 1 48 TYR HA 1 49 THR HG1 . . 5.500 5.359 5.000 5.504 0.004 18 0 "[ . 1 . 2]" 1
785 1 48 TYR HA 1 49 THR MG . . 4.250 3.290 2.999 3.683 . 0 0 "[ . 1 . 2]" 1
786 1 48 TYR HA 1 79 LYS QE . . 4.480 4.044 3.705 4.480 . 0 0 "[ . 1 . 2]" 1
787 1 48 TYR QB 1 49 THR H . . 3.720 2.236 1.939 2.922 . 0 0 "[ . 1 . 2]" 1
788 1 48 TYR QB 1 52 ASN QB . . 4.510 2.241 1.928 2.490 . 0 0 "[ . 1 . 2]" 1
789 1 48 TYR QB 1 53 LYS HD2 . . 4.660 2.210 2.027 2.482 . 0 0 "[ . 1 . 2]" 1
790 1 48 TYR QB 1 53 LYS QG . . 3.800 3.036 2.295 3.426 . 0 0 "[ . 1 . 2]" 1
791 1 48 TYR HB2 1 53 LYS HG2 . . 4.950 4.330 3.001 4.895 . 0 0 "[ . 1 . 2]" 1
792 1 48 TYR HB2 1 53 LYS HG3 . . 4.950 4.007 2.476 4.520 . 0 0 "[ . 1 . 2]" 1
793 1 48 TYR HB3 1 53 LYS HG2 . . 4.950 4.302 3.959 4.796 . 0 0 "[ . 1 . 2]" 1
794 1 48 TYR HB3 1 53 LYS HG3 . . 4.950 3.378 3.021 3.828 . 0 0 "[ . 1 . 2]" 1
795 1 48 TYR QD 1 49 THR H . . 4.630 2.734 2.562 3.461 . 0 0 "[ . 1 . 2]" 1
796 1 48 TYR QD 1 52 ASN HA . . 5.030 4.953 4.864 4.983 . 0 0 "[ . 1 . 2]" 1
797 1 48 TYR QD 1 52 ASN QB . . 3.930 2.757 2.623 3.033 . 0 0 "[ . 1 . 2]" 1
798 1 48 TYR QD 1 53 LYS HD2 . . 5.040 4.138 4.034 4.431 . 0 0 "[ . 1 . 2]" 1
799 1 48 TYR QE 1 52 ASN HD21 . . 4.960 3.998 2.995 4.673 . 0 0 "[ . 1 . 2]" 1
800 1 48 TYR QE 1 52 ASN HD22 . . 3.740 3.078 2.306 3.678 . 0 0 "[ . 1 . 2]" 1
801 1 49 THR H 1 49 THR HG1 . . 3.510 3.161 2.859 3.371 . 0 0 "[ . 1 . 2]" 1
802 1 49 THR H 1 49 THR MG . . 3.540 2.487 1.997 3.054 . 0 0 "[ . 1 . 2]" 1
803 1 49 THR H 1 52 ASN HB2 . . 4.770 2.179 1.954 2.505 . 0 0 "[ . 1 . 2]" 1
804 1 49 THR H 1 52 ASN QB . . 4.070 1.983 1.795 2.332 . 0 0 "[ . 1 . 2]" 1
805 1 49 THR H 1 52 ASN HB3 . . 4.770 2.422 1.951 3.626 . 0 0 "[ . 1 . 2]" 1
806 1 49 THR H 1 79 LYS QE . . 4.590 4.424 4.125 4.600 0.010 8 0 "[ . 1 . 2]" 1
807 1 49 THR HA 1 49 THR MG . . 3.210 2.467 2.243 2.636 . 0 0 "[ . 1 . 2]" 1
808 1 49 THR HA 1 50 ALA H . . 3.080 2.353 2.309 2.423 . 0 0 "[ . 1 . 2]" 1
809 1 49 THR HA 1 50 ALA MB . . 4.270 3.994 3.951 4.051 . 0 0 "[ . 1 . 2]" 1
810 1 49 THR HA 1 51 ALA H . . 4.280 3.788 3.751 3.909 . 0 0 "[ . 1 . 2]" 1
811 1 49 THR HA 1 79 LYS QE . . 4.660 4.245 3.696 4.656 . 0 0 "[ . 1 . 2]" 1
812 1 49 THR HB 1 50 ALA H . . 3.050 2.796 2.626 2.917 . 0 0 "[ . 1 . 2]" 1
813 1 49 THR HB 1 50 ALA MB . . 4.320 4.173 4.100 4.260 . 0 0 "[ . 1 . 2]" 1
814 1 49 THR HB 1 51 ALA H . . 3.050 2.538 2.253 2.800 . 0 0 "[ . 1 . 2]" 1
815 1 49 THR HB 1 51 ALA MB . . 3.940 3.265 2.912 3.564 . 0 0 "[ . 1 . 2]" 1
816 1 49 THR HB 1 52 ASN H . . 4.270 3.582 3.270 4.123 . 0 0 "[ . 1 . 2]" 1
817 1 49 THR HB 1 52 ASN QB . . 4.330 3.985 3.773 4.101 . 0 0 "[ . 1 . 2]" 1
818 1 49 THR HB 1 77 GLY HA2 . . 5.500 5.483 5.381 5.503 0.003 12 0 "[ . 1 . 2]" 1
819 1 49 THR HB 1 77 GLY HA3 . . 4.620 4.546 4.328 4.623 0.003 4 0 "[ . 1 . 2]" 1
820 1 49 THR HG1 1 49 THR MG . . 3.280 2.253 2.037 2.876 . 0 0 "[ . 1 . 2]" 1
821 1 49 THR HG1 1 51 ALA MB . . 4.140 3.057 2.802 3.397 . 0 0 "[ . 1 . 2]" 1
822 1 49 THR HG1 1 52 ASN H . . 3.610 3.038 2.109 3.576 . 0 0 "[ . 1 . 2]" 1
823 1 49 THR HG1 1 78 THR HA . . 3.950 2.473 2.215 2.822 . 0 0 "[ . 1 . 2]" 1
824 1 49 THR HG1 1 79 LYS H . . 4.400 3.967 3.525 4.403 0.003 14 0 "[ . 1 . 2]" 1
825 1 49 THR MG 1 50 ALA H . . 4.480 3.925 3.618 4.139 . 0 0 "[ . 1 . 2]" 1
826 1 49 THR MG 1 51 ALA H . . 4.310 4.089 3.983 4.150 . 0 0 "[ . 1 . 2]" 1
827 1 49 THR MG 1 52 ASN H . . 4.770 4.257 3.695 4.641 . 0 0 "[ . 1 . 2]" 1
828 1 49 THR MG 1 78 THR HA . . 3.860 2.538 2.043 3.230 . 0 0 "[ . 1 . 2]" 1
829 1 49 THR MG 1 79 LYS H . . 3.430 2.574 1.924 3.277 . 0 0 "[ . 1 . 2]" 1
830 1 49 THR MG 1 79 LYS QB . . 4.630 3.317 1.794 4.086 . 0 0 "[ . 1 . 2]" 1
831 1 49 THR MG 1 79 LYS HE2 . . 3.740 2.363 1.823 3.471 . 0 0 "[ . 1 . 2]" 1
832 1 49 THR MG 1 79 LYS QE . . 3.260 2.003 1.789 2.945 . 0 0 "[ . 1 . 2]" 1
833 1 49 THR MG 1 79 LYS HE3 . . 3.740 2.453 1.808 3.183 . 0 0 "[ . 1 . 2]" 1
834 1 50 ALA H 1 50 ALA MB . . 3.290 1.998 1.941 2.110 . 0 0 "[ . 1 . 2]" 1
835 1 50 ALA H 1 51 ALA H . . 3.690 2.610 2.529 2.679 . 0 0 "[ . 1 . 2]" 1
836 1 50 ALA HA 1 51 ALA H . . 3.470 3.443 3.396 3.471 0.001 2 0 "[ . 1 . 2]" 1
837 1 50 ALA HA 1 53 LYS H . . 4.120 3.949 3.719 4.130 0.010 17 0 "[ . 1 . 2]" 1
838 1 50 ALA HA 1 53 LYS HD2 . . 3.880 3.864 3.779 3.885 0.005 18 0 "[ . 1 . 2]" 1
839 1 50 ALA HA 1 53 LYS HE2 . . 4.840 4.132 2.746 4.842 0.002 6 0 "[ . 1 . 2]" 1
840 1 50 ALA HA 1 53 LYS QE . . 4.160 3.531 2.689 4.161 0.001 4 0 "[ . 1 . 2]" 1
841 1 50 ALA HA 1 53 LYS HE3 . . 4.840 4.230 3.216 4.843 0.003 11 0 "[ . 1 . 2]" 1
842 1 50 ALA HA 1 53 LYS QG . . 5.340 4.950 4.776 5.203 . 0 0 "[ . 1 . 2]" 1
843 1 50 ALA HA 1 54 ASN H . . 4.500 4.343 4.015 4.502 0.002 16 0 "[ . 1 . 2]" 1
844 1 50 ALA MB 1 51 ALA H . . 3.300 3.171 3.116 3.260 . 0 0 "[ . 1 . 2]" 1
845 1 50 ALA MB 1 54 ASN QD . . 4.030 3.864 3.363 4.032 0.002 12 0 "[ . 1 . 2]" 1
846 1 51 ALA H 1 51 ALA MB . . 3.110 2.248 2.171 2.308 . 0 0 "[ . 1 . 2]" 1
847 1 51 ALA H 1 52 ASN H . . 3.900 2.183 2.081 2.395 . 0 0 "[ . 1 . 2]" 1
848 1 51 ALA HA 1 54 ASN H . . 4.210 3.260 2.803 3.647 . 0 0 "[ . 1 . 2]" 1
849 1 51 ALA HA 1 54 ASN QB . . 3.740 1.953 1.839 2.018 . 0 0 "[ . 1 . 2]" 1
850 1 51 ALA MB 1 52 ASN H . . 3.530 3.183 2.807 3.492 . 0 0 "[ . 1 . 2]" 1
851 1 51 ALA MB 1 52 ASN HA . . 4.500 3.956 3.824 4.084 . 0 0 "[ . 1 . 2]" 1
852 1 51 ALA MB 1 75 ILE MG . . 3.300 2.096 1.658 2.549 . 0 0 "[ . 1 . 2]" 1
853 1 51 ALA MB 1 77 GLY HA2 . . 4.240 3.623 3.249 4.195 . 0 0 "[ . 1 . 2]" 1
854 1 51 ALA MB 1 77 GLY HA3 . . 3.540 2.206 1.850 2.948 . 0 0 "[ . 1 . 2]" 1
855 1 51 ALA MB 1 78 THR H . . 4.370 3.051 2.249 3.605 . 0 0 "[ . 1 . 2]" 1
856 1 51 ALA MB 1 78 THR HA . . 3.940 3.436 2.790 3.837 . 0 0 "[ . 1 . 2]" 1
857 1 52 ASN H 1 52 ASN HB2 . . 3.680 2.606 2.109 2.946 . 0 0 "[ . 1 . 2]" 1
858 1 52 ASN H 1 52 ASN QB . . 3.190 2.201 2.065 2.300 . 0 0 "[ . 1 . 2]" 1
859 1 52 ASN H 1 52 ASN HB3 . . 3.680 2.427 2.260 2.939 . 0 0 "[ . 1 . 2]" 1
860 1 52 ASN H 1 53 LYS H . . 3.670 2.633 2.322 2.888 . 0 0 "[ . 1 . 2]" 1
861 1 52 ASN H 1 75 ILE MG . . 4.200 3.656 3.290 4.073 . 0 0 "[ . 1 . 2]" 1
862 1 52 ASN HA 1 52 ASN HD21 . . 4.130 2.507 1.943 3.493 . 0 0 "[ . 1 . 2]" 1
863 1 52 ASN HA 1 52 ASN HD22 . . 4.380 3.758 3.496 4.133 . 0 0 "[ . 1 . 2]" 1
864 1 52 ASN HA 1 55 LYS H . . 4.650 4.250 3.875 4.523 . 0 0 "[ . 1 . 2]" 1
865 1 52 ASN HA 1 75 ILE MD . . 3.510 2.933 2.302 3.506 . 0 0 "[ . 1 . 2]" 1
866 1 52 ASN HA 1 75 ILE MG . . 2.930 2.333 2.024 2.695 . 0 0 "[ . 1 . 2]" 1
867 1 52 ASN QB 1 53 LYS H . . 3.620 2.294 1.936 2.782 . 0 0 "[ . 1 . 2]" 1
868 1 52 ASN QB 1 53 LYS HD2 . . 4.690 2.653 2.027 2.875 . 0 0 "[ . 1 . 2]" 1
869 1 52 ASN QB 1 75 ILE MG . . 4.020 3.609 3.353 3.783 . 0 0 "[ . 1 . 2]" 1
870 1 52 ASN HB2 1 53 LYS H . . 4.200 3.707 3.343 4.089 . 0 0 "[ . 1 . 2]" 1
871 1 52 ASN HB2 1 75 ILE MG . . 4.700 3.762 3.458 3.988 . 0 0 "[ . 1 . 2]" 1
872 1 52 ASN HB3 1 53 LYS H . . 4.200 2.320 1.948 2.833 . 0 0 "[ . 1 . 2]" 1
873 1 52 ASN HB3 1 75 ILE MG . . 4.700 4.654 4.505 4.715 0.015 11 0 "[ . 1 . 2]" 1
874 1 52 ASN HD21 1 59 TRP HZ2 . . 5.480 4.339 3.435 5.456 . 0 0 "[ . 1 . 2]" 1
875 1 52 ASN HD21 1 75 ILE MD . . 4.820 3.490 2.820 4.634 . 0 0 "[ . 1 . 2]" 1
876 1 52 ASN HD22 1 59 TRP HE1 . . 4.430 3.720 3.055 4.430 0.000 18 0 "[ . 1 . 2]" 1
877 1 52 ASN HD22 1 59 TRP HZ2 . . 4.540 4.166 3.561 4.540 . 0 0 "[ . 1 . 2]" 1
878 1 52 ASN HD22 1 75 ILE MD . . 4.380 4.211 3.317 4.386 0.006 12 0 "[ . 1 . 2]" 1
879 1 53 LYS H 1 53 LYS QB . . 3.380 2.598 2.462 2.688 . 0 0 "[ . 1 . 2]" 1
880 1 53 LYS H 1 53 LYS HD2 . . 3.590 2.673 1.966 3.192 . 0 0 "[ . 1 . 2]" 1
881 1 53 LYS H 1 53 LYS QG . . 3.090 2.360 2.046 2.861 . 0 0 "[ . 1 . 2]" 1
882 1 53 LYS H 1 54 ASN H . . 3.510 2.470 2.194 2.696 . 0 0 "[ . 1 . 2]" 1
883 1 53 LYS H 1 54 ASN HA . . 5.180 4.902 4.706 5.121 . 0 0 "[ . 1 . 2]" 1
884 1 53 LYS HA 1 53 LYS HD2 . . 4.880 4.489 3.801 4.652 . 0 0 "[ . 1 . 2]" 1
885 1 53 LYS HA 1 53 LYS QG . . 3.450 2.490 2.349 2.602 . 0 0 "[ . 1 . 2]" 1
886 1 53 LYS QB 1 53 LYS QE . . 4.060 2.823 2.463 3.565 . 0 0 "[ . 1 . 2]" 1
887 1 53 LYS QB 1 54 ASN H . . 3.470 2.998 2.479 3.339 . 0 0 "[ . 1 . 2]" 1
888 1 53 LYS QB 1 54 ASN HA . . 4.590 3.935 3.769 4.019 . 0 0 "[ . 1 . 2]" 1
889 1 53 LYS HD2 1 54 ASN H . . 5.070 4.871 4.141 5.073 0.003 13 0 "[ . 1 . 2]" 1
890 1 53 LYS HD3 1 54 ASN H . . 4.510 3.590 3.076 3.963 . 0 0 "[ . 1 . 2]" 1
891 1 53 LYS HD3 1 54 ASN QB . . 5.390 5.025 4.821 5.401 0.011 13 0 "[ . 1 . 2]" 1
892 1 53 LYS QG 1 54 ASN H . . 5.340 4.248 4.078 4.401 . 0 0 "[ . 1 . 2]" 1
893 1 54 ASN H 1 54 ASN QB . . 3.130 2.159 2.053 2.391 . 0 0 "[ . 1 . 2]" 1
894 1 54 ASN H 1 55 LYS H . . 3.450 3.036 2.802 3.213 . 0 0 "[ . 1 . 2]" 1
895 1 54 ASN QB 1 55 LYS H . . 3.640 2.159 1.935 2.710 . 0 0 "[ . 1 . 2]" 1
896 1 54 ASN QB 1 55 LYS QD . . 5.190 4.108 3.615 4.659 . 0 0 "[ . 1 . 2]" 1
897 1 55 LYS H 1 55 LYS HB2 . . 3.630 2.264 2.036 2.533 . 0 0 "[ . 1 . 2]" 1
898 1 55 LYS H 1 55 LYS HB3 . . 3.630 3.267 2.745 3.547 . 0 0 "[ . 1 . 2]" 1
899 1 55 LYS H 1 55 LYS QD . . 3.730 3.550 2.996 3.731 0.001 13 0 "[ . 1 . 2]" 1
900 1 55 LYS H 1 55 LYS QG . . 4.040 2.976 1.944 4.035 . 0 0 "[ . 1 . 2]" 1
901 1 55 LYS H 1 56 GLY H . . 4.090 3.328 3.200 3.439 . 0 0 "[ . 1 . 2]" 1
902 1 55 LYS H 1 75 ILE MG . . 4.410 3.883 3.256 4.329 . 0 0 "[ . 1 . 2]" 1
903 1 55 LYS HA 1 55 LYS QD . . 2.740 2.133 1.986 2.663 . 0 0 "[ . 1 . 2]" 1
904 1 55 LYS HA 1 55 LYS QE . . 3.620 2.608 2.016 3.482 . 0 0 "[ . 1 . 2]" 1
905 1 55 LYS HA 1 55 LYS QG . . 3.640 2.656 2.291 2.864 . 0 0 "[ . 1 . 2]" 1
906 1 55 LYS QB 1 55 LYS QD . . 3.080 2.635 2.114 2.942 . 0 0 "[ . 1 . 2]" 1
907 1 55 LYS QB 1 55 LYS QE . . 3.600 2.593 1.888 3.591 . 0 0 "[ . 1 . 2]" 1
908 1 55 LYS QB 1 56 GLY H . . 4.140 2.048 1.936 2.212 . 0 0 "[ . 1 . 2]" 1
909 1 55 LYS HB2 1 56 GLY H . . 4.740 2.677 1.993 3.479 . 0 0 "[ . 1 . 2]" 1
910 1 55 LYS HB3 1 56 GLY H . . 4.740 2.394 1.947 2.916 . 0 0 "[ . 1 . 2]" 1
911 1 55 LYS QD 1 74 TYR HA . . 4.710 3.810 3.218 4.284 . 0 0 "[ . 1 . 2]" 1
912 1 55 LYS QD 1 74 TYR QD . . 4.120 3.045 1.988 4.077 . 0 0 "[ . 1 . 2]" 1
913 1 55 LYS QD 1 75 ILE QG . . 4.600 3.266 1.965 4.471 . 0 0 "[ . 1 . 2]" 1
914 1 55 LYS QD 1 75 ILE MG . . 4.920 4.155 3.250 4.916 . 0 0 "[ . 1 . 2]" 1
915 1 55 LYS QE 1 57 ILE QG . . 4.440 2.906 1.769 3.766 . 0 0 "[ . 1 . 2]" 1
916 1 55 LYS QE 1 57 ILE MG . . 3.690 2.797 2.144 3.505 . 0 0 "[ . 1 . 2]" 1
917 1 55 LYS HE2 1 55 LYS QG . . 3.900 2.774 2.159 3.479 . 0 0 "[ . 1 . 2]" 1
918 1 55 LYS HE2 1 57 ILE MG . . 4.290 3.241 2.354 4.261 . 0 0 "[ . 1 . 2]" 1
919 1 55 LYS HE2 1 74 TYR QD . . 4.950 4.084 3.165 4.952 0.002 7 0 "[ . 1 . 2]" 1
920 1 55 LYS HE3 1 55 LYS QG . . 3.900 2.895 1.977 3.595 . 0 0 "[ . 1 . 2]" 1
921 1 55 LYS HE3 1 57 ILE MG . . 4.290 3.351 2.191 4.285 . 0 0 "[ . 1 . 2]" 1
922 1 55 LYS HE3 1 74 TYR QD . . 4.950 4.518 3.001 4.951 0.001 19 0 "[ . 1 . 2]" 1
923 1 55 LYS QG 1 56 GLY H . . 5.070 3.784 3.169 4.119 . 0 0 "[ . 1 . 2]" 1
924 1 55 LYS QG 1 74 TYR QE . . 3.450 2.944 1.925 3.453 0.003 17 0 "[ . 1 . 2]" 1
925 1 56 GLY H 1 57 ILE H . . 4.370 2.832 2.391 3.274 . 0 0 "[ . 1 . 2]" 1
926 1 57 ILE H 1 57 ILE MD . . 4.320 2.676 2.016 3.455 . 0 0 "[ . 1 . 2]" 1
927 1 57 ILE H 1 57 ILE HG12 . . 3.880 3.695 3.429 3.883 0.003 16 0 "[ . 1 . 2]" 1
928 1 57 ILE H 1 57 ILE QG . . 3.260 2.120 1.938 2.409 . 0 0 "[ . 1 . 2]" 1
929 1 57 ILE H 1 57 ILE HG13 . . 3.880 2.134 1.947 2.433 . 0 0 "[ . 1 . 2]" 1
930 1 57 ILE H 1 57 ILE MG . . 3.950 3.236 2.359 3.630 . 0 0 "[ . 1 . 2]" 1
931 1 57 ILE HA 1 57 ILE MD . . 4.670 3.549 3.429 3.725 . 0 0 "[ . 1 . 2]" 1
932 1 57 ILE HA 1 57 ILE MG . . 3.270 2.150 1.989 2.425 . 0 0 "[ . 1 . 2]" 1
933 1 57 ILE HA 1 58 ILE H . . 3.080 2.519 2.266 2.700 . 0 0 "[ . 1 . 2]" 1
934 1 57 ILE HA 1 58 ILE HB . . 4.940 4.712 4.419 4.942 0.002 7 0 "[ . 1 . 2]" 1
935 1 57 ILE HB 1 57 ILE MD . . 3.430 2.194 2.061 2.287 . 0 0 "[ . 1 . 2]" 1
936 1 57 ILE HB 1 58 ILE H . . 3.210 2.424 2.030 3.127 . 0 0 "[ . 1 . 2]" 1
937 1 57 ILE HB 1 63 THR MG . . 3.620 2.686 2.259 3.120 . 0 0 "[ . 1 . 2]" 1
938 1 57 ILE MD 1 57 ILE MG . . 3.790 3.220 3.120 3.269 . 0 0 "[ . 1 . 2]" 1
939 1 57 ILE MD 1 58 ILE H . . 4.080 3.153 2.200 4.082 0.002 11 0 "[ . 1 . 2]" 1
940 1 57 ILE MD 1 58 ILE HA . . 4.810 3.582 2.973 4.359 . 0 0 "[ . 1 . 2]" 1
941 1 57 ILE MD 1 59 TRP H . . 4.500 3.186 2.548 3.982 . 0 0 "[ . 1 . 2]" 1
942 1 57 ILE MD 1 59 TRP HA . . 3.960 2.971 2.418 3.535 . 0 0 "[ . 1 . 2]" 1
943 1 57 ILE MD 1 59 TRP QB . . 4.840 4.055 3.697 4.520 . 0 0 "[ . 1 . 2]" 1
944 1 57 ILE MD 1 59 TRP HE3 . . 4.660 3.097 2.606 3.616 . 0 0 "[ . 1 . 2]" 1
945 1 57 ILE MD 1 59 TRP HH2 . . 4.390 3.395 2.861 4.351 . 0 0 "[ . 1 . 2]" 1
946 1 57 ILE MD 1 59 TRP HZ2 . . 4.500 3.517 2.842 4.404 . 0 0 "[ . 1 . 2]" 1
947 1 57 ILE MD 1 59 TRP HZ3 . . 4.690 3.152 2.593 3.618 . 0 0 "[ . 1 . 2]" 1
948 1 57 ILE MD 1 63 THR HB . . 3.410 2.489 1.910 3.051 . 0 0 "[ . 1 . 2]" 1
949 1 57 ILE MD 1 63 THR HG1 . . 4.280 3.902 3.026 4.278 . 0 0 "[ . 1 . 2]" 1
950 1 57 ILE MD 1 63 THR MG . . 3.620 2.550 1.703 3.550 . 0 0 "[ . 1 . 2]" 1
951 1 57 ILE MD 1 74 TYR QE . . 3.380 2.662 1.968 3.350 . 0 0 "[ . 1 . 2]" 1
952 1 57 ILE QG 1 58 ILE H . . 4.910 4.237 3.779 4.745 . 0 0 "[ . 1 . 2]" 1
953 1 57 ILE QG 1 63 THR HB . . 4.530 4.095 3.319 4.524 . 0 0 "[ . 1 . 2]" 1
954 1 57 ILE QG 1 74 TYR QE . . 3.420 2.258 1.955 3.238 . 0 0 "[ . 1 . 2]" 1
955 1 57 ILE HG12 1 74 TYR QE . . 4.110 2.309 1.997 3.419 . 0 0 "[ . 1 . 2]" 1
956 1 57 ILE HG13 1 74 TYR QE . . 4.110 3.297 2.727 4.008 . 0 0 "[ . 1 . 2]" 1
957 1 57 ILE MG 1 58 ILE H . . 3.800 3.444 3.203 3.806 0.006 20 0 "[ . 1 . 2]" 1
958 1 57 ILE MG 1 63 THR HA . . 5.500 5.489 5.418 5.507 0.007 11 0 "[ . 1 . 2]" 1
959 1 57 ILE MG 1 63 THR MG . . 4.030 3.567 3.129 3.957 . 0 0 "[ . 1 . 2]" 1
960 1 57 ILE MG 1 74 TYR QE . . 4.240 3.822 3.175 4.239 . 0 0 "[ . 1 . 2]" 1
961 1 58 ILE H 1 58 ILE HB . . 3.270 2.440 2.191 2.650 . 0 0 "[ . 1 . 2]" 1
962 1 58 ILE H 1 58 ILE MD . . 4.680 3.715 2.940 4.210 . 0 0 "[ . 1 . 2]" 1
963 1 58 ILE H 1 58 ILE HG12 . . 4.070 2.775 2.216 3.805 . 0 0 "[ . 1 . 2]" 1
964 1 58 ILE H 1 58 ILE QG . . 3.530 2.529 1.949 2.906 . 0 0 "[ . 1 . 2]" 1
965 1 58 ILE H 1 58 ILE HG13 . . 4.070 3.462 2.006 4.051 . 0 0 "[ . 1 . 2]" 1
966 1 58 ILE H 1 59 TRP H . . 4.920 4.261 4.017 4.497 . 0 0 "[ . 1 . 2]" 1
967 1 58 ILE H 1 63 THR MG . . 4.300 3.149 2.733 3.660 . 0 0 "[ . 1 . 2]" 1
968 1 58 ILE HA 1 58 ILE MD . . 3.740 2.501 1.934 3.684 . 0 0 "[ . 1 . 2]" 1
969 1 58 ILE HA 1 58 ILE QG . . 3.690 2.698 2.125 3.157 . 0 0 "[ . 1 . 2]" 1
970 1 58 ILE HA 1 58 ILE MG . . 3.360 2.434 2.284 2.657 . 0 0 "[ . 1 . 2]" 1
971 1 58 ILE HA 1 59 TRP H . . 2.980 2.204 2.176 2.251 . 0 0 "[ . 1 . 2]" 1
972 1 58 ILE HB 1 58 ILE MD . . 3.460 3.016 2.509 3.203 . 0 0 "[ . 1 . 2]" 1
973 1 58 ILE MD 1 58 ILE MG . . 2.400 1.939 1.822 2.186 . 0 0 "[ . 1 . 2]" 1
974 1 58 ILE MG 1 59 TRP H . . 3.560 3.168 2.738 3.447 . 0 0 "[ . 1 . 2]" 1
975 1 58 ILE MG 1 59 TRP HA . . 4.550 4.404 4.074 4.551 0.001 6 0 "[ . 1 . 2]" 1
976 1 59 TRP H 1 59 TRP HB2 . . 3.960 2.429 2.274 2.613 . 0 0 "[ . 1 . 2]" 1
977 1 59 TRP H 1 59 TRP QB . . 3.270 2.388 2.247 2.549 . 0 0 "[ . 1 . 2]" 1
978 1 59 TRP H 1 59 TRP HB3 . . 3.960 3.540 3.513 3.553 . 0 0 "[ . 1 . 2]" 1
979 1 59 TRP H 1 59 TRP HD1 . . 4.030 3.269 2.950 3.471 . 0 0 "[ . 1 . 2]" 1
980 1 59 TRP H 1 60 GLY H . . 4.860 4.651 4.554 4.671 . 0 0 "[ . 1 . 2]" 1
981 1 59 TRP H 1 63 THR MG . . 4.640 4.400 4.018 4.639 . 0 0 "[ . 1 . 2]" 1
982 1 59 TRP HA 1 59 TRP HE3 . . 3.750 2.086 1.994 2.386 . 0 0 "[ . 1 . 2]" 1
983 1 59 TRP HA 1 60 GLY H . . 3.170 2.393 2.222 2.542 . 0 0 "[ . 1 . 2]" 1
984 1 59 TRP HA 1 63 THR H . . 5.040 4.741 4.437 5.040 0.000 15 0 "[ . 1 . 2]" 1
985 1 59 TRP HA 1 63 THR MG . . 4.370 3.211 2.733 3.492 . 0 0 "[ . 1 . 2]" 1
986 1 59 TRP QB 1 59 TRP HD1 . . 3.230 2.547 2.543 2.564 . 0 0 "[ . 1 . 2]" 1
987 1 59 TRP QB 1 60 GLY H . . 3.960 2.694 2.338 3.245 . 0 0 "[ . 1 . 2]" 1
988 1 59 TRP QB 1 64 LEU QD . . 4.300 2.752 2.081 3.055 . 0 0 "[ . 1 . 2]" 1
989 1 59 TRP HB2 1 60 GLY H . . 4.580 3.908 3.557 4.328 . 0 0 "[ . 1 . 2]" 1
990 1 59 TRP HB3 1 60 GLY H . . 4.580 2.748 2.370 3.353 . 0 0 "[ . 1 . 2]" 1
991 1 59 TRP HE3 1 60 GLY H . . 4.360 3.013 2.550 3.436 . 0 0 "[ . 1 . 2]" 1
992 1 59 TRP HE3 1 63 THR HB . . 4.840 2.433 2.022 2.970 . 0 0 "[ . 1 . 2]" 1
993 1 59 TRP HE3 1 64 LEU H . . 4.420 3.949 3.435 4.420 . 0 0 "[ . 1 . 2]" 1
994 1 59 TRP HE3 1 64 LEU HA . . 4.250 3.521 3.148 3.959 . 0 0 "[ . 1 . 2]" 1
995 1 59 TRP HE3 1 64 LEU QD . . 3.950 2.396 1.949 2.836 . 0 0 "[ . 1 . 2]" 1
996 1 59 TRP HE3 1 64 LEU HG . . 3.850 3.046 2.491 3.850 . 0 0 "[ . 1 . 2]" 1
997 1 59 TRP HH2 1 67 TYR HB2 . . 3.650 3.196 2.448 3.649 . 0 0 "[ . 1 . 2]" 1
998 1 59 TRP HH2 1 67 TYR HB3 . . 4.950 4.311 3.596 4.831 . 0 0 "[ . 1 . 2]" 1
999 1 59 TRP HH2 1 74 TYR QD . . 3.780 2.988 2.124 3.745 . 0 0 "[ . 1 . 2]" 1
1000 1 59 TRP HH2 1 74 TYR QE . . 4.240 2.983 2.146 3.638 . 0 0 "[ . 1 . 2]" 1
1001 1 59 TRP HH2 1 75 ILE MD . . 3.450 2.274 1.793 3.039 . 0 0 "[ . 1 . 2]" 1
1002 1 59 TRP HH2 1 75 ILE QG . . 4.450 3.093 2.707 3.457 . 0 0 "[ . 1 . 2]" 1
1003 1 59 TRP HZ2 1 75 ILE MD . . 4.160 2.425 1.934 3.058 . 0 0 "[ . 1 . 2]" 1
1004 1 59 TRP HZ3 1 63 THR HB . . 4.890 3.189 2.625 3.710 . 0 0 "[ . 1 . 2]" 1
1005 1 59 TRP HZ3 1 64 LEU HA . . 3.760 3.318 2.720 3.754 . 0 0 "[ . 1 . 2]" 1
1006 1 59 TRP HZ3 1 64 LEU QD . . 4.170 3.183 2.359 3.869 . 0 0 "[ . 1 . 2]" 1
1007 1 59 TRP HZ3 1 64 LEU HG . . 5.170 4.578 4.050 5.110 . 0 0 "[ . 1 . 2]" 1
1008 1 59 TRP HZ3 1 67 TYR H . . 4.580 3.983 3.380 4.498 . 0 0 "[ . 1 . 2]" 1
1009 1 59 TRP HZ3 1 67 TYR HA . . 4.850 4.552 4.377 4.818 . 0 0 "[ . 1 . 2]" 1
1010 1 59 TRP HZ3 1 67 TYR HB2 . . 3.680 2.123 2.000 2.402 . 0 0 "[ . 1 . 2]" 1
1011 1 59 TRP HZ3 1 67 TYR HB3 . . 3.830 2.913 2.287 3.583 . 0 0 "[ . 1 . 2]" 1
1012 1 60 GLY H 1 63 THR H . . 4.390 4.034 3.408 4.388 . 0 0 "[ . 1 . 2]" 1
1013 1 60 GLY H 1 63 THR HG1 . . 3.320 2.148 1.949 2.791 . 0 0 "[ . 1 . 2]" 1
1014 1 60 GLY H 1 63 THR MG . . 4.460 3.947 3.647 4.339 . 0 0 "[ . 1 . 2]" 1
1015 1 60 GLY H 1 64 LEU QD . . 4.880 2.793 1.844 3.509 . 0 0 "[ . 1 . 2]" 1
1016 1 60 GLY H 1 64 LEU HG . . 4.720 2.566 1.950 4.632 . 0 0 "[ . 1 . 2]" 1
1017 1 60 GLY QA 1 62 ASP H . . 4.770 3.543 3.060 4.475 . 0 0 "[ . 1 . 2]" 1
1018 1 60 GLY QA 1 63 THR H . . 5.340 4.003 3.385 4.294 . 0 0 "[ . 1 . 2]" 1
1019 1 60 GLY QA 1 64 LEU QD . . 5.160 3.423 2.857 4.046 . 0 0 "[ . 1 . 2]" 1
1020 1 61 GLU H 1 61 GLU HG2 . . 5.030 3.939 2.148 4.564 . 0 0 "[ . 1 . 2]" 1
1021 1 61 GLU H 1 61 GLU QG . . 4.200 2.909 1.912 3.957 . 0 0 "[ . 1 . 2]" 1
1022 1 61 GLU H 1 61 GLU HG3 . . 5.030 3.058 2.143 4.351 . 0 0 "[ . 1 . 2]" 1
1023 1 61 GLU H 1 62 ASP H . . 4.500 2.347 2.231 2.953 . 0 0 "[ . 1 . 2]" 1
1024 1 61 GLU HA 1 61 GLU HG2 . . 3.900 3.020 2.375 3.722 . 0 0 "[ . 1 . 2]" 1
1025 1 61 GLU HA 1 61 GLU QG . . 3.360 2.374 2.202 3.235 . 0 0 "[ . 1 . 2]" 1
1026 1 61 GLU HA 1 61 GLU HG3 . . 3.900 2.579 2.242 3.586 . 0 0 "[ . 1 . 2]" 1
1027 1 61 GLU HA 1 64 LEU H . . 4.210 3.947 3.456 4.200 . 0 0 "[ . 1 . 2]" 1
1028 1 61 GLU HA 1 64 LEU HB2 . . 4.690 3.007 2.113 3.485 . 0 0 "[ . 1 . 2]" 1
1029 1 61 GLU HA 1 64 LEU QD . . 4.310 3.294 2.477 3.709 . 0 0 "[ . 1 . 2]" 1
1030 1 61 GLU HA 1 95 ILE MD . . 4.200 3.157 1.897 3.607 . 0 0 "[ . 1 . 2]" 1
1031 1 61 GLU HA 1 95 ILE MG . . 3.200 2.938 1.977 3.199 . 0 0 "[ . 1 . 2]" 1
1032 1 61 GLU QB 1 62 ASP H . . 3.400 2.773 2.035 3.424 0.024 11 0 "[ . 1 . 2]" 1
1033 1 61 GLU QB 1 95 ILE MG . . 3.950 3.754 1.764 3.953 0.003 16 0 "[ . 1 . 2]" 1
1034 1 61 GLU QG 1 62 ASP H . . 4.780 4.229 2.212 4.593 . 0 0 "[ . 1 . 2]" 1
1035 1 61 GLU HG2 1 62 ASP H . . 5.450 5.085 3.841 5.448 . 0 0 "[ . 1 . 2]" 1
1036 1 61 GLU HG2 1 95 ILE MG . . 3.970 3.321 2.316 3.971 0.001 7 0 "[ . 1 . 2]" 1
1037 1 61 GLU HG3 1 62 ASP H . . 5.450 4.587 2.226 5.200 . 0 0 "[ . 1 . 2]" 1
1038 1 61 GLU HG3 1 95 ILE MG . . 3.970 3.479 2.139 3.972 0.002 6 0 "[ . 1 . 2]" 1
1039 1 62 ASP H 1 62 ASP HB2 . . 3.550 2.268 2.156 2.841 . 0 0 "[ . 1 . 2]" 1
1040 1 62 ASP H 1 62 ASP QB . . 3.060 2.239 2.135 2.732 . 0 0 "[ . 1 . 2]" 1
1041 1 62 ASP H 1 62 ASP HB3 . . 3.550 3.495 3.442 3.547 . 0 0 "[ . 1 . 2]" 1
1042 1 62 ASP HA 1 65 MET H . . 4.560 3.346 2.834 3.724 . 0 0 "[ . 1 . 2]" 1
1043 1 62 ASP HA 1 65 MET HB2 . . 4.160 2.638 2.004 3.403 . 0 0 "[ . 1 . 2]" 1
1044 1 62 ASP HA 1 65 MET QB . . 3.650 2.432 1.995 2.781 . 0 0 "[ . 1 . 2]" 1
1045 1 62 ASP HA 1 65 MET HB3 . . 4.160 3.467 2.434 4.171 0.011 11 0 "[ . 1 . 2]" 1
1046 1 62 ASP HB2 1 63 THR H . . 3.790 2.207 1.959 2.520 . 0 0 "[ . 1 . 2]" 1
1047 1 62 ASP HB2 1 63 THR HA . . 4.770 4.310 3.649 4.485 . 0 0 "[ . 1 . 2]" 1
1048 1 62 ASP HB2 1 63 THR MG . . 4.520 3.373 2.950 3.600 . 0 0 "[ . 1 . 2]" 1
1049 1 62 ASP HB3 1 63 THR H . . 3.790 2.926 2.587 3.500 . 0 0 "[ . 1 . 2]" 1
1050 1 62 ASP HB3 1 63 THR HA . . 4.770 3.949 3.772 4.693 . 0 0 "[ . 1 . 2]" 1
1051 1 62 ASP HB3 1 63 THR MG . . 4.520 3.842 3.385 4.445 . 0 0 "[ . 1 . 2]" 1
1052 1 63 THR H 1 63 THR HB . . 4.020 3.495 3.457 3.510 . 0 0 "[ . 1 . 2]" 1
1053 1 63 THR H 1 63 THR HG1 . . 3.990 2.857 2.391 3.295 . 0 0 "[ . 1 . 2]" 1
1054 1 63 THR H 1 63 THR MG . . 3.310 2.202 1.919 2.381 . 0 0 "[ . 1 . 2]" 1
1055 1 63 THR H 1 64 LEU H . . 3.400 2.925 2.640 3.094 . 0 0 "[ . 1 . 2]" 1
1056 1 63 THR H 1 64 LEU HB2 . . 5.230 4.935 4.660 5.126 . 0 0 "[ . 1 . 2]" 1
1057 1 63 THR HA 1 63 THR MG . . 3.110 2.272 2.189 2.380 . 0 0 "[ . 1 . 2]" 1
1058 1 63 THR HA 1 65 MET H . . 5.500 5.086 4.317 5.409 . 0 0 "[ . 1 . 2]" 1
1059 1 63 THR HA 1 66 GLU H . . 4.200 3.793 3.585 3.957 . 0 0 "[ . 1 . 2]" 1
1060 1 63 THR HA 1 66 GLU HB2 . . 4.060 3.726 3.248 4.056 . 0 0 "[ . 1 . 2]" 1
1061 1 63 THR HA 1 66 GLU HB3 . . 4.060 3.243 2.827 3.685 . 0 0 "[ . 1 . 2]" 1
1062 1 63 THR HA 1 74 TYR QE . . 4.490 3.498 2.479 4.338 . 0 0 "[ . 1 . 2]" 1
1063 1 63 THR HB 1 64 LEU H . . 4.220 3.780 3.298 4.181 . 0 0 "[ . 1 . 2]" 1
1064 1 63 THR HB 1 74 TYR QE . . 4.640 4.114 3.681 4.634 . 0 0 "[ . 1 . 2]" 1
1065 1 63 THR HG1 1 63 THR MG . . 3.090 2.351 1.960 3.004 . 0 0 "[ . 1 . 2]" 1
1066 1 63 THR MG 1 64 LEU H . . 4.260 4.122 3.951 4.277 0.017 11 0 "[ . 1 . 2]" 1
1067 1 63 THR MG 1 74 TYR QE . . 4.410 4.136 3.646 4.410 . 0 0 "[ . 1 . 2]" 1
1068 1 64 LEU H 1 64 LEU HB2 . . 3.260 2.207 2.071 2.366 . 0 0 "[ . 1 . 2]" 1
1069 1 64 LEU H 1 64 LEU HB3 . . 3.610 3.481 3.378 3.590 . 0 0 "[ . 1 . 2]" 1
1070 1 64 LEU H 1 64 LEU MD1 . . 4.450 3.603 2.009 4.037 . 0 0 "[ . 1 . 2]" 1
1071 1 64 LEU H 1 64 LEU MD2 . . 4.450 3.797 3.465 4.192 . 0 0 "[ . 1 . 2]" 1
1072 1 64 LEU H 1 64 LEU HG . . 4.040 3.035 2.590 4.039 . 0 0 "[ . 1 . 2]" 1
1073 1 64 LEU H 1 65 MET H . . 3.500 2.601 2.081 2.924 . 0 0 "[ . 1 . 2]" 1
1074 1 64 LEU H 1 66 GLU H . . 4.840 3.669 3.533 3.828 . 0 0 "[ . 1 . 2]" 1
1075 1 64 LEU HA 1 64 LEU QD . . 3.080 2.084 1.895 2.771 . 0 0 "[ . 1 . 2]" 1
1076 1 64 LEU HA 1 64 LEU HG . . 3.920 2.837 2.213 3.083 . 0 0 "[ . 1 . 2]" 1
1077 1 64 LEU HA 1 66 GLU H . . 4.420 3.766 3.537 3.956 . 0 0 "[ . 1 . 2]" 1
1078 1 64 LEU HA 1 67 TYR H . . 3.950 2.988 2.799 3.252 . 0 0 "[ . 1 . 2]" 1
1079 1 64 LEU HA 1 67 TYR HB2 . . 4.160 3.331 2.806 4.011 . 0 0 "[ . 1 . 2]" 1
1080 1 64 LEU HA 1 67 TYR HB3 . . 3.720 2.163 1.999 2.519 . 0 0 "[ . 1 . 2]" 1
1081 1 64 LEU HA 1 68 LEU H . . 4.010 3.128 2.764 3.740 . 0 0 "[ . 1 . 2]" 1
1082 1 64 LEU HB2 1 65 MET H . . 3.360 2.538 2.296 2.946 . 0 0 "[ . 1 . 2]" 1
1083 1 64 LEU HB2 1 95 ILE MD . . 4.190 2.708 2.079 3.332 . 0 0 "[ . 1 . 2]" 1
1084 1 64 LEU HB2 1 95 ILE HG12 . . 4.400 4.224 3.312 4.400 . 0 0 "[ . 1 . 2]" 1
1085 1 64 LEU HB3 1 64 LEU QD . . 3.110 2.142 2.071 2.253 . 0 0 "[ . 1 . 2]" 1
1086 1 64 LEU HB3 1 65 MET H . . 4.220 3.120 2.774 3.826 . 0 0 "[ . 1 . 2]" 1
1087 1 64 LEU HB3 1 65 MET HA . . 4.410 4.061 3.857 4.409 . 0 0 "[ . 1 . 2]" 1
1088 1 64 LEU HB3 1 95 ILE HG12 . . 3.910 3.395 2.992 3.800 . 0 0 "[ . 1 . 2]" 1
1089 1 64 LEU QD 1 67 TYR HB2 . . 4.500 3.960 3.414 4.500 0.000 17 0 "[ . 1 . 2]" 1
1090 1 64 LEU QD 1 67 TYR HB3 . . 4.120 3.086 2.653 4.121 0.001 20 0 "[ . 1 . 2]" 1
1091 1 64 LEU QD 1 68 LEU H . . 4.860 3.726 2.998 4.720 . 0 0 "[ . 1 . 2]" 1
1092 1 64 LEU QD 1 95 ILE HA . . 5.440 4.078 3.341 4.614 . 0 0 "[ . 1 . 2]" 1
1093 1 64 LEU QD 1 95 ILE HG12 . . 4.060 2.904 2.093 3.608 . 0 0 "[ . 1 . 2]" 1
1094 1 64 LEU QD 1 95 ILE MG . . 3.750 2.595 1.800 3.470 . 0 0 "[ . 1 . 2]" 1
1095 1 64 LEU QD 1 98 LEU MD1 . . 3.770 2.996 2.527 3.399 . 0 0 "[ . 1 . 2]" 1
1096 1 64 LEU MD1 1 98 LEU MD1 . . 4.430 3.346 2.783 4.432 0.002 17 0 "[ . 1 . 2]" 1
1097 1 64 LEU MD2 1 98 LEU MD1 . . 4.430 4.017 2.542 4.434 0.004 16 0 "[ . 1 . 2]" 1
1098 1 64 LEU HG 1 65 MET H . . 5.100 4.645 4.406 4.916 . 0 0 "[ . 1 . 2]" 1
1099 1 65 MET H 1 65 MET HB2 . . 3.570 2.229 2.083 2.389 . 0 0 "[ . 1 . 2]" 1
1100 1 65 MET H 1 65 MET QB . . 3.110 2.182 2.048 2.351 . 0 0 "[ . 1 . 2]" 1
1101 1 65 MET H 1 65 MET HB3 . . 3.570 3.214 2.603 3.529 . 0 0 "[ . 1 . 2]" 1
1102 1 65 MET H 1 65 MET ME . . 4.820 4.515 3.673 4.820 . 0 0 "[ . 1 . 2]" 1
1103 1 65 MET H 1 65 MET HG2 . . 4.710 3.680 2.263 4.599 . 0 0 "[ . 1 . 2]" 1
1104 1 65 MET H 1 65 MET QG . . 4.020 3.048 2.241 3.910 . 0 0 "[ . 1 . 2]" 1
1105 1 65 MET H 1 65 MET HG3 . . 4.710 3.366 2.454 4.275 . 0 0 "[ . 1 . 2]" 1
1106 1 65 MET H 1 66 GLU H . . 3.610 2.870 2.589 2.992 . 0 0 "[ . 1 . 2]" 1
1107 1 65 MET H 1 95 ILE MD . . 3.810 3.023 2.743 3.223 . 0 0 "[ . 1 . 2]" 1
1108 1 65 MET H 1 95 ILE HG12 . . 5.500 5.369 4.887 5.509 0.009 11 0 "[ . 1 . 2]" 1
1109 1 65 MET HA 1 65 MET ME . . 3.760 3.269 1.865 3.759 . 0 0 "[ . 1 . 2]" 1
1110 1 65 MET HA 1 65 MET HG2 . . 4.200 2.645 2.118 3.372 . 0 0 "[ . 1 . 2]" 1
1111 1 65 MET HA 1 65 MET QG . . 3.610 2.236 2.085 2.760 . 0 0 "[ . 1 . 2]" 1
1112 1 65 MET HA 1 65 MET HG3 . . 4.200 2.887 2.184 3.686 . 0 0 "[ . 1 . 2]" 1
1113 1 65 MET HA 1 68 LEU H . . 4.380 4.182 3.685 4.382 0.002 2 0 "[ . 1 . 2]" 1
1114 1 65 MET HA 1 91 ARG HD2 . . 4.710 3.369 1.992 4.718 0.008 2 0 "[ . 1 . 2]" 1
1115 1 65 MET HA 1 91 ARG QD . . 3.910 3.213 1.968 3.793 . 0 0 "[ . 1 . 2]" 1
1116 1 65 MET HA 1 91 ARG HD3 . . 4.710 4.512 3.059 4.712 0.002 10 0 "[ . 1 . 2]" 1
1117 1 65 MET HA 1 95 ILE MD . . 3.200 2.944 2.445 3.204 0.004 2 0 "[ . 1 . 2]" 1
1118 1 65 MET QB 1 65 MET ME . . 2.820 2.677 1.991 2.823 0.003 11 0 "[ . 1 . 2]" 1
1119 1 65 MET QB 1 95 ILE MD . . 4.120 3.528 2.899 4.040 . 0 0 "[ . 1 . 2]" 1
1120 1 65 MET HB2 1 66 GLU H . . 4.100 3.457 2.975 4.099 . 0 0 "[ . 1 . 2]" 1
1121 1 65 MET HB3 1 66 GLU H . . 4.100 3.445 2.754 4.113 0.013 2 0 "[ . 1 . 2]" 1
1122 1 65 MET ME 1 65 MET QG . . 3.240 2.157 1.998 2.372 . 0 0 "[ . 1 . 2]" 1
1123 1 65 MET ME 1 88 LYS HA . . 4.070 3.445 2.621 4.068 . 0 0 "[ . 1 . 2]" 1
1124 1 65 MET ME 1 88 LYS HG2 . . 3.070 2.443 1.931 3.061 . 0 0 "[ . 1 . 2]" 1
1125 1 65 MET ME 1 88 LYS HG3 . . 3.070 2.540 1.899 3.068 . 0 0 "[ . 1 . 2]" 1
1126 1 65 MET ME 1 91 ARG HE . . 4.440 3.004 1.907 4.445 0.005 2 0 "[ . 1 . 2]" 1
1127 1 65 MET ME 1 92 ALA H . . 3.620 3.436 2.650 3.630 0.010 2 0 "[ . 1 . 2]" 1
1128 1 65 MET ME 1 92 ALA MB . . 3.230 2.612 2.000 3.230 . 0 0 "[ . 1 . 2]" 1
1129 1 65 MET ME 1 95 ILE MD . . 3.630 3.078 2.011 3.630 . 16 0 "[ . 1 . 2]" 1
1130 1 65 MET QG 1 95 ILE MD . . 3.740 2.718 1.702 3.740 . 0 0 "[ . 1 . 2]" 1
1131 1 66 GLU H 1 66 GLU HB2 . . 3.510 2.483 2.304 2.685 . 0 0 "[ . 1 . 2]" 1
1132 1 66 GLU H 1 66 GLU HB3 . . 3.510 2.706 2.494 2.827 . 0 0 "[ . 1 . 2]" 1
1133 1 66 GLU H 1 66 GLU HG2 . . 4.880 4.634 4.357 4.808 . 0 0 "[ . 1 . 2]" 1
1134 1 66 GLU H 1 66 GLU QG . . 4.130 4.056 3.956 4.129 . 0 0 "[ . 1 . 2]" 1
1135 1 66 GLU H 1 66 GLU HG3 . . 4.880 4.486 4.359 4.656 . 0 0 "[ . 1 . 2]" 1
1136 1 66 GLU H 1 67 TYR H . . 3.430 2.282 1.947 2.515 . 0 0 "[ . 1 . 2]" 1
1137 1 66 GLU HA 1 66 GLU QB . . 2.640 2.470 2.399 2.504 . 0 0 "[ . 1 . 2]" 1
1138 1 66 GLU HA 1 66 GLU HG2 . . 3.720 3.440 2.659 3.714 . 0 0 "[ . 1 . 2]" 1
1139 1 66 GLU HA 1 66 GLU QG . . 3.110 2.504 2.130 2.833 . 0 0 "[ . 1 . 2]" 1
1140 1 66 GLU HA 1 66 GLU HG3 . . 3.720 2.621 2.180 3.669 . 0 0 "[ . 1 . 2]" 1
1141 1 66 GLU QB 1 67 TYR H . . 3.390 2.702 2.375 3.190 . 0 0 "[ . 1 . 2]" 1
1142 1 66 GLU QB 1 74 TYR QD . . 3.950 3.473 2.652 3.950 . 16 0 "[ . 1 . 2]" 1
1143 1 66 GLU QB 1 74 TYR QE . . 3.790 2.321 1.986 3.255 . 0 0 "[ . 1 . 2]" 1
1144 1 66 GLU HB2 1 67 TYR H . . 3.980 3.773 3.553 3.977 . 0 0 "[ . 1 . 2]" 1
1145 1 66 GLU HB2 1 74 TYR QE . . 4.420 3.831 3.301 4.420 0.000 8 0 "[ . 1 . 2]" 1
1146 1 66 GLU HB3 1 67 TYR H . . 3.980 2.777 2.407 3.358 . 0 0 "[ . 1 . 2]" 1
1147 1 66 GLU HB3 1 74 TYR QE . . 4.420 2.347 1.999 3.354 . 0 0 "[ . 1 . 2]" 1
1148 1 66 GLU QG 1 67 TYR H . . 4.650 4.116 3.625 4.481 . 0 0 "[ . 1 . 2]" 1
1149 1 66 GLU QG 1 74 TYR QD . . 3.420 3.051 2.009 3.420 0.000 16 0 "[ . 1 . 2]" 1
1150 1 66 GLU QG 1 74 TYR QE . . 3.850 2.940 2.196 3.518 . 0 0 "[ . 1 . 2]" 1
1151 1 66 GLU HG2 1 74 TYR QE . . 4.580 3.184 2.214 4.486 . 0 0 "[ . 1 . 2]" 1
1152 1 66 GLU HG3 1 74 TYR QE . . 4.580 3.780 2.765 4.582 0.002 11 0 "[ . 1 . 2]" 1
1153 1 67 TYR H 1 67 TYR HB2 . . 3.430 2.515 2.171 2.812 . 0 0 "[ . 1 . 2]" 1
1154 1 67 TYR H 1 67 TYR HB3 . . 3.420 2.197 2.060 2.481 . 0 0 "[ . 1 . 2]" 1
1155 1 67 TYR H 1 68 LEU H . . 2.900 2.726 2.394 2.901 0.001 19 0 "[ . 1 . 2]" 1
1156 1 67 TYR H 1 68 LEU QD . . 5.240 4.441 3.365 5.097 . 0 0 "[ . 1 . 2]" 1
1157 1 67 TYR H 1 74 TYR QE . . 4.790 3.818 3.073 4.664 . 0 0 "[ . 1 . 2]" 1
1158 1 67 TYR HA 1 69 GLU H . . 4.620 4.404 4.050 4.621 0.001 12 0 "[ . 1 . 2]" 1
1159 1 67 TYR HA 1 70 ASN H . . 4.700 3.436 3.252 3.656 . 0 0 "[ . 1 . 2]" 1
1160 1 67 TYR HA 1 74 TYR H . . 4.620 4.385 4.027 4.622 0.002 17 0 "[ . 1 . 2]" 1
1161 1 67 TYR HA 1 74 TYR HB2 . . 3.830 2.597 2.271 2.780 . 0 0 "[ . 1 . 2]" 1
1162 1 67 TYR HA 1 74 TYR HB3 . . 3.580 3.299 2.746 3.588 0.008 11 0 "[ . 1 . 2]" 1
1163 1 67 TYR HA 1 74 TYR QD . . 3.560 2.544 2.019 3.499 . 0 0 "[ . 1 . 2]" 1
1164 1 67 TYR HB2 1 68 LEU H . . 3.850 3.678 3.508 3.853 0.003 16 0 "[ . 1 . 2]" 1
1165 1 67 TYR HB2 1 74 TYR QD . . 4.550 3.327 2.882 3.615 . 0 0 "[ . 1 . 2]" 1
1166 1 67 TYR HB2 1 74 TYR QE . . 3.990 3.329 2.957 3.562 . 0 0 "[ . 1 . 2]" 1
1167 1 67 TYR HB3 1 68 LEU H . . 3.610 2.179 2.004 2.449 . 0 0 "[ . 1 . 2]" 1
1168 1 67 TYR HB3 1 74 TYR QD . . 4.750 4.587 4.323 4.751 0.001 10 0 "[ . 1 . 2]" 1
1169 1 67 TYR HB3 1 74 TYR QE . . 4.840 4.639 4.170 4.843 0.003 19 0 "[ . 1 . 2]" 1
1170 1 68 LEU H 1 68 LEU HB2 . . 3.680 2.418 2.190 2.748 . 0 0 "[ . 1 . 2]" 1
1171 1 68 LEU H 1 68 LEU QB . . 3.120 2.375 2.168 2.656 . 0 0 "[ . 1 . 2]" 1
1172 1 68 LEU H 1 68 LEU HB3 . . 3.680 3.521 3.468 3.548 . 0 0 "[ . 1 . 2]" 1
1173 1 68 LEU H 1 68 LEU MD1 . . 4.230 3.675 3.353 4.070 . 0 0 "[ . 1 . 2]" 1
1174 1 68 LEU H 1 68 LEU QD . . 3.500 2.605 1.889 3.219 . 0 0 "[ . 1 . 2]" 1
1175 1 68 LEU H 1 68 LEU MD2 . . 4.230 2.804 1.893 3.968 . 0 0 "[ . 1 . 2]" 1
1176 1 68 LEU H 1 68 LEU HG . . 3.830 2.586 1.965 3.628 . 0 0 "[ . 1 . 2]" 1
1177 1 68 LEU H 1 69 GLU H . . 3.620 2.963 2.727 3.075 . 0 0 "[ . 1 . 2]" 1
1178 1 68 LEU H 1 70 ASN H . . 5.030 4.476 3.992 4.971 . 0 0 "[ . 1 . 2]" 1
1179 1 68 LEU HA 1 68 LEU QD . . 3.090 2.037 1.880 2.416 . 0 0 "[ . 1 . 2]" 1
1180 1 68 LEU HA 1 68 LEU HG . . 4.210 3.205 2.533 3.717 . 0 0 "[ . 1 . 2]" 1
1181 1 68 LEU HA 1 71 PRO QG . . 4.130 3.349 2.770 4.005 . 0 0 "[ . 1 . 2]" 1
1182 1 68 LEU HA 1 80 MET ME . . 4.000 3.626 3.175 3.991 . 0 0 "[ . 1 . 2]" 1
1183 1 68 LEU QB 1 68 LEU QD . . 2.810 1.939 1.800 2.004 . 0 0 "[ . 1 . 2]" 1
1184 1 68 LEU QD 1 69 GLU H . . 4.700 4.042 3.886 4.230 . 0 0 "[ . 1 . 2]" 1
1185 1 68 LEU QD 1 80 MET ME . . 3.730 2.940 2.184 3.402 . 0 0 "[ . 1 . 2]" 1
1186 1 68 LEU QD 1 82 PHE QD . . 4.850 3.793 2.946 4.831 . 0 0 "[ . 1 . 2]" 1
1187 1 68 LEU QD 1 94 LEU QD . . 3.710 2.677 2.161 3.211 . 0 0 "[ . 1 . 2]" 1
1188 1 69 GLU H 1 69 GLU HB2 . . 3.470 2.747 2.228 3.480 0.010 15 0 "[ . 1 . 2]" 1
1189 1 69 GLU H 1 69 GLU HB3 . . 3.470 2.397 2.170 2.814 . 0 0 "[ . 1 . 2]" 1
1190 1 69 GLU H 1 69 GLU HG2 . . 4.650 4.025 2.666 4.629 . 0 0 "[ . 1 . 2]" 1
1191 1 69 GLU H 1 69 GLU QG . . 4.090 3.629 2.617 4.038 . 0 0 "[ . 1 . 2]" 1
1192 1 69 GLU H 1 69 GLU HG3 . . 4.650 4.269 3.807 4.483 . 0 0 "[ . 1 . 2]" 1
1193 1 69 GLU H 1 70 ASN H . . 3.320 2.956 2.725 3.205 . 0 0 "[ . 1 . 2]" 1
1194 1 69 GLU H 1 91 ARG HD2 . . 4.480 3.550 2.642 4.483 0.003 4 0 "[ . 1 . 2]" 1
1195 1 69 GLU H 1 91 ARG HD3 . . 4.480 3.795 2.933 4.481 0.001 14 0 "[ . 1 . 2]" 1
1196 1 69 GLU HA 1 69 GLU HG2 . . 3.790 3.521 3.196 3.795 0.005 9 0 "[ . 1 . 2]" 1
1197 1 69 GLU HA 1 69 GLU QG . . 3.220 2.690 2.224 3.294 0.074 4 0 "[ . 1 . 2]" 1
1198 1 69 GLU HA 1 69 GLU HG3 . . 3.790 2.824 2.270 3.628 . 0 0 "[ . 1 . 2]" 1
1199 1 69 GLU HA 1 85 ILE H . . 3.690 2.904 2.030 3.690 . 0 0 "[ . 1 . 2]" 1
1200 1 69 GLU HA 1 91 ARG HD2 . . 4.410 3.979 2.731 4.411 0.001 16 0 "[ . 1 . 2]" 1
1201 1 69 GLU HA 1 91 ARG QD . . 3.580 3.034 2.173 3.581 0.001 20 0 "[ . 1 . 2]" 1
1202 1 69 GLU HA 1 91 ARG HD3 . . 4.410 3.257 2.186 3.998 . 0 0 "[ . 1 . 2]" 1
1203 1 69 GLU HA 1 91 ARG HE . . 4.930 4.549 1.950 4.930 0.000 9 0 "[ . 1 . 2]" 1
1204 1 69 GLU QB 1 69 GLU QG . . 2.270 2.122 2.054 2.135 . 0 0 "[ . 1 . 2]" 1
1205 1 69 GLU QB 1 70 ASN H . . 3.580 2.741 2.116 3.416 . 0 0 "[ . 1 . 2]" 1
1206 1 69 GLU HB2 1 70 ASN H . . 4.250 3.928 3.542 4.177 . 0 0 "[ . 1 . 2]" 1
1207 1 69 GLU HB3 1 70 ASN H . . 4.250 2.840 2.130 3.710 . 0 0 "[ . 1 . 2]" 1
1208 1 69 GLU QG 1 70 ASN H . . 4.110 2.968 1.893 3.794 . 0 0 "[ . 1 . 2]" 1
1209 1 69 GLU QG 1 70 ASN QB . . 4.030 2.775 2.020 3.385 . 0 0 "[ . 1 . 2]" 1
1210 1 69 GLU QG 1 70 ASN QD . . 4.720 3.685 2.160 4.727 0.007 17 0 "[ . 1 . 2]" 1
1211 1 69 GLU HG2 1 70 ASN H . . 4.800 3.123 1.949 4.197 . 0 0 "[ . 1 . 2]" 1
1212 1 69 GLU HG2 1 70 ASN QB . . 4.580 3.135 2.106 4.581 0.001 9 0 "[ . 1 . 2]" 1
1213 1 69 GLU HG3 1 70 ASN H . . 4.800 3.843 2.503 4.668 . 0 0 "[ . 1 . 2]" 1
1214 1 69 GLU HG3 1 70 ASN QB . . 4.580 3.759 2.048 4.581 0.001 16 0 "[ . 1 . 2]" 1
1215 1 70 ASN H 1 70 ASN QB . . 3.540 2.846 2.567 3.409 . 0 0 "[ . 1 . 2]" 1
1216 1 70 ASN H 1 71 PRO HD2 . . 4.640 4.362 4.133 4.593 . 0 0 "[ . 1 . 2]" 1
1217 1 70 ASN H 1 71 PRO QD . . 3.770 3.178 2.888 3.479 . 0 0 "[ . 1 . 2]" 1
1218 1 70 ASN H 1 71 PRO HD3 . . 4.640 3.266 2.948 3.603 . 0 0 "[ . 1 . 2]" 1
1219 1 70 ASN HA 1 71 PRO HD2 . . 3.520 2.254 2.240 2.298 . 0 0 "[ . 1 . 2]" 1
1220 1 70 ASN HA 1 71 PRO QD . . 3.080 2.036 1.980 2.115 . 0 0 "[ . 1 . 2]" 1
1221 1 70 ASN HA 1 71 PRO HD3 . . 3.520 2.322 2.207 2.471 . 0 0 "[ . 1 . 2]" 1
1222 1 70 ASN HA 1 72 LYS H . . 5.190 3.473 3.118 4.103 . 0 0 "[ . 1 . 2]" 1
1223 1 70 ASN QB 1 72 LYS H . . 5.030 3.850 3.023 5.018 . 0 0 "[ . 1 . 2]" 1
1224 1 70 ASN QB 1 73 LYS H . . 4.160 2.757 2.192 3.658 . 0 0 "[ . 1 . 2]" 1
1225 1 70 ASN QB 1 73 LYS HB2 . . 3.850 2.210 1.884 2.667 . 0 0 "[ . 1 . 2]" 1
1226 1 70 ASN QB 1 73 LYS HB3 . . 3.850 3.615 2.699 3.850 . 0 0 "[ . 1 . 2]" 1
1227 1 70 ASN QB 1 73 LYS QD . . 4.600 3.774 2.286 4.602 0.002 19 0 "[ . 1 . 2]" 1
1228 1 70 ASN QD 1 73 LYS QB . . 3.680 3.124 1.971 3.680 . 6 0 "[ . 1 . 2]" 1
1229 1 70 ASN HD21 1 73 LYS QD . . 5.500 3.683 1.992 5.305 . 0 0 "[ . 1 . 2]" 1
1230 1 70 ASN HD22 1 73 LYS QD . . 5.500 4.205 2.308 5.500 0.000 19 0 "[ . 1 . 2]" 1
1231 1 71 PRO HA 1 74 TYR H . . 4.240 3.658 3.134 4.207 . 0 0 "[ . 1 . 2]" 1
1232 1 71 PRO HA 1 80 MET ME . . 4.590 4.255 3.832 4.520 . 0 0 "[ . 1 . 2]" 1
1233 1 71 PRO QB 1 72 LYS H . . 3.750 3.363 2.794 3.750 0.000 20 0 "[ . 1 . 2]" 1
1234 1 71 PRO QB 1 80 MET ME . . 3.110 2.109 1.772 2.383 . 0 0 "[ . 1 . 2]" 1
1235 1 71 PRO HB2 1 72 LYS H . . 4.620 3.513 2.855 3.979 . 0 0 "[ . 1 . 2]" 1
1236 1 71 PRO HB3 1 72 LYS H . . 4.620 4.336 3.968 4.587 . 0 0 "[ . 1 . 2]" 1
1237 1 71 PRO QD 1 72 LYS H . . 4.100 2.367 2.244 2.596 . 0 0 "[ . 1 . 2]" 1
1238 1 71 PRO QD 1 73 LYS H . . 4.700 4.193 3.817 4.641 . 0 0 "[ . 1 . 2]" 1
1239 1 71 PRO QD 1 82 PHE HB3 . . 4.970 3.676 3.426 3.953 . 0 0 "[ . 1 . 2]" 1
1240 1 71 PRO QG 1 80 MET ME . . 2.990 2.169 1.771 2.590 . 0 0 "[ . 1 . 2]" 1
1241 1 71 PRO QG 1 82 PHE QD . . 3.590 2.418 1.919 3.283 . 0 0 "[ . 1 . 2]" 1
1242 1 71 PRO QG 1 82 PHE QE . . 4.940 4.357 3.654 4.932 . 0 0 "[ . 1 . 2]" 1
1243 1 71 PRO QG 1 84 GLY QA . . 4.430 3.375 2.983 3.785 . 0 0 "[ . 1 . 2]" 1
1244 1 71 PRO HG2 1 80 MET ME . . 3.460 2.789 2.219 3.266 . 0 0 "[ . 1 . 2]" 1
1245 1 71 PRO HG2 1 82 PHE QD . . 4.160 3.416 2.447 3.840 . 0 0 "[ . 1 . 2]" 1
1246 1 71 PRO HG3 1 80 MET ME . . 3.460 2.271 1.862 2.720 . 0 0 "[ . 1 . 2]" 1
1247 1 71 PRO HG3 1 82 PHE QD . . 4.160 2.495 2.005 3.565 . 0 0 "[ . 1 . 2]" 1
1248 1 72 LYS H 1 72 LYS HB2 . . 3.730 3.304 2.093 3.647 . 0 0 "[ . 1 . 2]" 1
1249 1 72 LYS H 1 72 LYS QB . . 3.210 2.286 2.049 2.608 . 0 0 "[ . 1 . 2]" 1
1250 1 72 LYS H 1 72 LYS HB3 . . 3.730 2.370 2.129 2.914 . 0 0 "[ . 1 . 2]" 1
1251 1 72 LYS H 1 72 LYS QD . . 4.750 3.965 1.901 4.756 0.006 12 0 "[ . 1 . 2]" 1
1252 1 72 LYS H 1 72 LYS QE . . 4.590 4.381 3.855 4.594 0.004 9 0 "[ . 1 . 2]" 1
1253 1 72 LYS H 1 72 LYS HG2 . . 4.280 2.975 1.952 4.270 . 0 0 "[ . 1 . 2]" 1
1254 1 72 LYS H 1 72 LYS QG . . 3.750 2.815 1.940 3.752 0.002 17 0 "[ . 1 . 2]" 1
1255 1 72 LYS H 1 72 LYS HG3 . . 4.280 3.804 2.927 4.309 0.029 17 0 "[ . 1 . 2]" 1
1256 1 72 LYS H 1 73 LYS H . . 3.440 2.603 2.089 2.975 . 0 0 "[ . 1 . 2]" 1
1257 1 72 LYS HA 1 72 LYS QD . . 4.380 4.109 3.578 4.380 0.000 8 0 "[ . 1 . 2]" 1
1258 1 72 LYS HA 1 75 ILE H . . 4.350 4.037 3.729 4.353 0.003 4 0 "[ . 1 . 2]" 1
1259 1 72 LYS HA 1 76 PRO HA . . 4.860 4.252 3.491 4.860 0.000 13 0 "[ . 1 . 2]" 1
1260 1 72 LYS HA 1 78 THR MG . . 3.470 2.579 1.935 3.420 . 0 0 "[ . 1 . 2]" 1
1261 1 72 LYS QB 1 72 LYS QD . . 2.400 2.182 2.057 2.351 . 0 0 "[ . 1 . 2]" 1
1262 1 72 LYS HB2 1 73 LYS H . . 4.260 4.032 3.379 4.261 0.001 15 0 "[ . 1 . 2]" 1
1263 1 72 LYS HB3 1 73 LYS H . . 4.260 3.540 2.262 4.260 . 0 0 "[ . 1 . 2]" 1
1264 1 72 LYS QE 1 72 LYS QG . . 3.430 2.406 2.108 2.760 . 0 0 "[ . 1 . 2]" 1
1265 1 72 LYS QG 1 73 LYS H . . 4.310 2.481 1.783 4.080 . 0 0 "[ . 1 . 2]" 1
1266 1 72 LYS QG 1 73 LYS HA . . 4.700 3.396 2.843 4.700 . 0 0 "[ . 1 . 2]" 1
1267 1 73 LYS H 1 73 LYS HB2 . . 3.720 2.311 2.042 2.582 . 0 0 "[ . 1 . 2]" 1
1268 1 73 LYS H 1 73 LYS QB . . 2.900 2.279 2.012 2.531 . 0 0 "[ . 1 . 2]" 1
1269 1 73 LYS H 1 73 LYS HB3 . . 3.720 3.502 3.033 3.640 . 0 0 "[ . 1 . 2]" 1
1270 1 73 LYS H 1 73 LYS QD . . 4.310 3.807 2.223 4.323 0.013 19 0 "[ . 1 . 2]" 1
1271 1 73 LYS H 1 73 LYS HG2 . . 4.350 3.205 2.186 4.241 . 0 0 "[ . 1 . 2]" 1
1272 1 73 LYS H 1 73 LYS QG . . 3.710 2.779 2.169 3.714 0.004 6 0 "[ . 1 . 2]" 1
1273 1 73 LYS H 1 73 LYS HG3 . . 4.350 3.319 2.344 4.362 0.012 19 0 "[ . 1 . 2]" 1
1274 1 73 LYS H 1 74 TYR H . . 3.200 2.701 2.134 3.163 . 0 0 "[ . 1 . 2]" 1
1275 1 73 LYS H 1 75 ILE H . . 4.800 4.030 3.682 4.471 . 0 0 "[ . 1 . 2]" 1
1276 1 73 LYS HA 1 73 LYS QD . . 3.680 2.939 2.008 3.681 0.001 10 0 "[ . 1 . 2]" 1
1277 1 73 LYS HA 1 73 LYS HG2 . . 3.770 2.659 2.058 3.568 . 0 0 "[ . 1 . 2]" 1
1278 1 73 LYS HA 1 73 LYS QG . . 3.290 2.371 2.027 3.043 . 0 0 "[ . 1 . 2]" 1
1279 1 73 LYS HA 1 73 LYS HG3 . . 3.770 3.227 2.139 3.767 . 0 0 "[ . 1 . 2]" 1
1280 1 73 LYS QB 1 73 LYS QG . . 2.400 2.073 2.022 2.117 . 0 0 "[ . 1 . 2]" 1
1281 1 73 LYS HB2 1 74 TYR H . . 3.620 2.493 2.177 3.245 . 0 0 "[ . 1 . 2]" 1
1282 1 73 LYS HB3 1 74 TYR H . . 3.620 3.140 2.159 3.620 . 0 0 "[ . 1 . 2]" 1
1283 1 74 TYR H 1 74 TYR HB2 . . 3.640 2.010 1.951 2.166 . 0 0 "[ . 1 . 2]" 1
1284 1 74 TYR H 1 74 TYR HB3 . . 3.380 2.797 2.484 2.924 . 0 0 "[ . 1 . 2]" 1
1285 1 74 TYR H 1 75 ILE H . . 3.370 3.030 2.667 3.174 . 0 0 "[ . 1 . 2]" 1
1286 1 74 TYR HA 1 74 TYR QD . . 3.270 3.006 2.607 3.180 . 0 0 "[ . 1 . 2]" 1
1287 1 74 TYR HB2 1 75 ILE H . . 3.710 3.457 3.282 3.709 . 0 0 "[ . 1 . 2]" 1
1288 1 74 TYR HB2 1 75 ILE QG . . 4.570 3.863 3.715 4.070 . 0 0 "[ . 1 . 2]" 1
1289 1 74 TYR HB3 1 75 ILE H . . 3.940 2.276 2.065 2.605 . 0 0 "[ . 1 . 2]" 1
1290 1 74 TYR HB3 1 75 ILE HB . . 4.520 3.988 3.710 4.264 . 0 0 "[ . 1 . 2]" 1
1291 1 74 TYR QD 1 75 ILE H . . 3.900 3.742 3.499 3.900 0.000 1 0 "[ . 1 . 2]" 1
1292 1 74 TYR QD 1 75 ILE HA . . 4.500 3.952 3.408 4.493 . 0 0 "[ . 1 . 2]" 1
1293 1 74 TYR QD 1 75 ILE MD . . 3.470 2.859 2.212 3.413 . 0 0 "[ . 1 . 2]" 1
1294 1 74 TYR QD 1 75 ILE HG12 . . 3.510 2.097 1.999 2.525 . 0 0 "[ . 1 . 2]" 1
1295 1 74 TYR QD 1 75 ILE QG . . 2.890 1.911 1.784 2.037 . 0 0 "[ . 1 . 2]" 1
1296 1 74 TYR QD 1 75 ILE HG13 . . 3.510 2.431 1.999 3.490 . 0 0 "[ . 1 . 2]" 1
1297 1 74 TYR QE 1 75 ILE MD . . 4.940 3.752 3.095 4.248 . 0 0 "[ . 1 . 2]" 1
1298 1 74 TYR QE 1 75 ILE QG . . 4.770 3.709 3.362 4.150 . 0 0 "[ . 1 . 2]" 1
1299 1 75 ILE H 1 75 ILE HB . . 3.640 2.696 2.597 2.819 . 0 0 "[ . 1 . 2]" 1
1300 1 75 ILE H 1 75 ILE MD . . 4.700 4.013 3.811 4.288 . 0 0 "[ . 1 . 2]" 1
1301 1 75 ILE H 1 75 ILE QG . . 3.670 2.517 2.279 2.852 . 0 0 "[ . 1 . 2]" 1
1302 1 75 ILE H 1 75 ILE MG . . 4.660 3.863 3.824 3.916 . 0 0 "[ . 1 . 2]" 1
1303 1 75 ILE HA 1 75 ILE MD . . 4.360 3.482 2.265 3.900 . 0 0 "[ . 1 . 2]" 1
1304 1 75 ILE HA 1 75 ILE QG . . 3.730 2.564 2.331 2.821 . 0 0 "[ . 1 . 2]" 1
1305 1 75 ILE HA 1 75 ILE MG . . 3.160 2.315 2.212 2.428 . 0 0 "[ . 1 . 2]" 1
1306 1 75 ILE HA 1 76 PRO HD2 . . 3.680 2.200 2.184 2.284 . 0 0 "[ . 1 . 2]" 1
1307 1 75 ILE HA 1 76 PRO HD3 . . 3.680 2.315 2.252 2.531 . 0 0 "[ . 1 . 2]" 1
1308 1 75 ILE HB 1 75 ILE MD . . 3.170 2.571 2.290 3.176 0.006 10 0 "[ . 1 . 2]" 1
1309 1 75 ILE HB 1 75 ILE QG . . 2.590 2.279 2.155 2.369 . 0 0 "[ . 1 . 2]" 1
1310 1 75 ILE HB 1 78 THR H . . 4.330 3.947 3.696 4.296 . 0 0 "[ . 1 . 2]" 1
1311 1 75 ILE HB 1 78 THR HB . . 3.990 2.497 2.020 3.232 . 0 0 "[ . 1 . 2]" 1
1312 1 75 ILE HB 1 78 THR MG . . 3.900 2.338 1.987 2.942 . 0 0 "[ . 1 . 2]" 1
1313 1 75 ILE MD 1 75 ILE MG . . 3.110 1.899 1.808 2.104 . 0 0 "[ . 1 . 2]" 1
1314 1 75 ILE QG 1 75 ILE MG . . 3.210 2.452 2.298 2.538 . 0 0 "[ . 1 . 2]" 1
1315 1 75 ILE QG 1 76 PRO QD . . 5.180 3.894 3.731 4.111 . 0 0 "[ . 1 . 2]" 1
1316 1 75 ILE MG 1 76 PRO QD . . 4.780 3.190 3.016 3.486 . 0 0 "[ . 1 . 2]" 1
1317 1 75 ILE MG 1 78 THR H . . 4.060 3.143 2.293 3.480 . 0 0 "[ . 1 . 2]" 1
1318 1 75 ILE MG 1 78 THR HA . . 4.330 3.497 3.052 3.883 . 0 0 "[ . 1 . 2]" 1
1319 1 75 ILE MG 1 78 THR HB . . 4.000 1.965 1.841 2.316 . 0 0 "[ . 1 . 2]" 1
1320 1 76 PRO HA 1 77 GLY H . . 3.470 2.174 2.148 2.196 . 0 0 "[ . 1 . 2]" 1
1321 1 76 PRO HA 1 78 THR H . . 4.440 3.487 3.336 3.810 . 0 0 "[ . 1 . 2]" 1
1322 1 77 GLY H 1 78 THR H . . 4.080 2.032 1.898 2.586 . 0 0 "[ . 1 . 2]" 1
1323 1 77 GLY HA3 1 78 THR H . . 3.450 3.309 2.947 3.447 . 0 0 "[ . 1 . 2]" 1
1324 1 78 THR H 1 78 THR HB . . 3.230 2.504 2.153 2.623 . 0 0 "[ . 1 . 2]" 1
1325 1 78 THR H 1 78 THR MG . . 3.200 2.057 1.905 2.641 . 0 0 "[ . 1 . 2]" 1
1326 1 78 THR HA 1 78 THR HG1 . . 3.650 3.396 2.004 3.653 0.003 5 0 "[ . 1 . 2]" 1
1327 1 78 THR HA 1 79 LYS H . . 3.310 2.363 2.163 2.570 . 0 0 "[ . 1 . 2]" 1
1328 1 78 THR HA 1 80 MET H . . 4.440 3.854 3.469 4.339 . 0 0 "[ . 1 . 2]" 1
1329 1 78 THR HB 1 79 LYS H . . 5.040 4.000 3.710 4.512 . 0 0 "[ . 1 . 2]" 1
1330 1 78 THR HG1 1 79 LYS H . . 3.720 3.270 2.668 3.721 0.001 2 0 "[ . 1 . 2]" 1
1331 1 78 THR HG1 1 80 MET H . . 3.810 2.507 1.946 3.281 . 0 0 "[ . 1 . 2]" 1
1332 1 78 THR MG 1 80 MET H . . 3.600 2.856 2.028 3.600 . 0 0 "[ . 1 . 2]" 1
1333 1 78 THR MG 1 80 MET HA . . 5.220 4.635 3.914 4.970 . 0 0 "[ . 1 . 2]" 1
1334 1 78 THR MG 1 80 MET HB2 . . 4.690 3.845 3.206 4.292 . 0 0 "[ . 1 . 2]" 1
1335 1 78 THR MG 1 80 MET QB . . 3.960 2.547 1.964 2.846 . 0 0 "[ . 1 . 2]" 1
1336 1 78 THR MG 1 80 MET HB3 . . 4.690 2.592 1.975 2.978 . 0 0 "[ . 1 . 2]" 1
1337 1 79 LYS H 1 79 LYS QB . . 3.610 2.741 2.424 3.045 . 0 0 "[ . 1 . 2]" 1
1338 1 79 LYS H 1 79 LYS QE . . 4.670 3.664 2.642 4.670 0.000 5 0 "[ . 1 . 2]" 1
1339 1 79 LYS H 1 79 LYS HG2 . . 3.880 2.199 1.951 3.040 . 0 0 "[ . 1 . 2]" 1
1340 1 79 LYS H 1 79 LYS QG . . 3.290 2.037 1.853 2.418 . 0 0 "[ . 1 . 2]" 1
1341 1 79 LYS H 1 79 LYS HG3 . . 3.880 2.986 1.948 3.871 . 0 0 "[ . 1 . 2]" 1
1342 1 79 LYS H 1 80 MET H . . 3.680 2.220 1.900 2.577 . 0 0 "[ . 1 . 2]" 1
1343 1 79 LYS H 1 80 MET QB . . 5.190 3.862 3.593 4.198 . 0 0 "[ . 1 . 2]" 1
1344 1 79 LYS HA 1 79 LYS QD . . 4.730 4.087 3.002 4.556 . 0 0 "[ . 1 . 2]" 1
1345 1 79 LYS HA 1 81 ILE MD . . 4.320 3.629 3.067 4.289 . 0 0 "[ . 1 . 2]" 1
1346 1 79 LYS QB 1 79 LYS QD . . 2.760 2.180 1.998 2.513 . 0 0 "[ . 1 . 2]" 1
1347 1 79 LYS QB 1 80 MET H . . 4.630 3.688 2.737 4.083 . 0 0 "[ . 1 . 2]" 1
1348 1 79 LYS QD 1 79 LYS QG . . 2.370 2.081 1.996 2.135 . 0 0 "[ . 1 . 2]" 1
1349 1 79 LYS HG2 1 80 MET H . . 4.650 3.412 2.149 4.652 0.002 4 0 "[ . 1 . 2]" 1
1350 1 79 LYS HG3 1 80 MET H . . 4.650 3.706 2.677 4.485 . 0 0 "[ . 1 . 2]" 1
1351 1 80 MET H 1 80 MET HB2 . . 3.840 2.497 2.094 2.790 . 0 0 "[ . 1 . 2]" 1
1352 1 80 MET H 1 80 MET QB . . 3.340 2.147 2.051 2.176 . 0 0 "[ . 1 . 2]" 1
1353 1 80 MET H 1 80 MET HB3 . . 3.840 2.431 2.245 2.937 . 0 0 "[ . 1 . 2]" 1
1354 1 80 MET H 1 81 ILE H . . 5.500 4.343 4.112 4.583 . 0 0 "[ . 1 . 2]" 1
1355 1 80 MET HA 1 80 MET QG . . 3.600 2.468 2.179 2.586 . 0 0 "[ . 1 . 2]" 1
1356 1 80 MET HA 1 81 ILE H . . 3.170 2.250 2.203 2.340 . 0 0 "[ . 1 . 2]" 1
1357 1 80 MET HB2 1 81 ILE H . . 5.370 4.519 4.332 4.642 . 0 0 "[ . 1 . 2]" 1
1358 1 80 MET HB3 1 81 ILE H . . 5.370 4.493 4.029 4.616 . 0 0 "[ . 1 . 2]" 1
1359 1 80 MET ME 1 80 MET HG2 . . 3.570 2.134 1.969 2.302 . 0 0 "[ . 1 . 2]" 1
1360 1 80 MET ME 1 80 MET QG . . 3.020 2.079 1.944 2.186 . 0 0 "[ . 1 . 2]" 1
1361 1 80 MET ME 1 80 MET HG3 . . 3.570 2.926 2.725 3.165 . 0 0 "[ . 1 . 2]" 1
1362 1 80 MET ME 1 82 PHE H . . 5.030 4.177 3.508 4.780 . 0 0 "[ . 1 . 2]" 1
1363 1 80 MET ME 1 82 PHE HB2 . . 3.350 2.467 1.991 2.970 . 0 0 "[ . 1 . 2]" 1
1364 1 80 MET ME 1 82 PHE HB3 . . 3.140 2.464 1.975 2.879 . 0 0 "[ . 1 . 2]" 1
1365 1 80 MET ME 1 82 PHE QD . . 3.450 2.814 2.143 3.374 . 0 0 "[ . 1 . 2]" 1
1366 1 80 MET ME 1 82 PHE QE . . 4.590 4.110 3.544 4.552 . 0 0 "[ . 1 . 2]" 1
1367 1 80 MET QG 1 81 ILE H . . 4.210 3.306 2.826 3.695 . 0 0 "[ . 1 . 2]" 1
1368 1 80 MET QG 1 82 PHE H . . 4.880 3.329 2.687 3.774 . 0 0 "[ . 1 . 2]" 1
1369 1 80 MET QG 1 82 PHE HB3 . . 4.080 2.967 2.479 3.332 . 0 0 "[ . 1 . 2]" 1
1370 1 80 MET HG2 1 81 ILE H . . 4.930 3.960 3.286 4.430 . 0 0 "[ . 1 . 2]" 1
1371 1 80 MET HG2 1 82 PHE HB2 . . 4.620 2.460 2.080 2.790 . 0 0 "[ . 1 . 2]" 1
1372 1 80 MET HG2 1 82 PHE HB3 . . 4.670 3.023 2.504 3.413 . 0 0 "[ . 1 . 2]" 1
1373 1 80 MET HG3 1 81 ILE H . . 4.930 3.554 3.081 4.067 . 0 0 "[ . 1 . 2]" 1
1374 1 80 MET HG3 1 82 PHE HB2 . . 4.620 3.143 2.694 3.614 . 0 0 "[ . 1 . 2]" 1
1375 1 80 MET HG3 1 82 PHE HB3 . . 4.670 4.340 3.813 4.660 . 0 0 "[ . 1 . 2]" 1
1376 1 81 ILE H 1 81 ILE HB . . 3.560 2.377 2.169 2.549 . 0 0 "[ . 1 . 2]" 1
1377 1 81 ILE H 1 81 ILE MD . . 4.110 3.326 2.697 3.809 . 0 0 "[ . 1 . 2]" 1
1378 1 81 ILE H 1 81 ILE HG12 . . 4.120 2.492 2.023 2.822 . 0 0 "[ . 1 . 2]" 1
1379 1 81 ILE H 1 81 ILE QG . . 3.520 2.459 2.011 2.770 . 0 0 "[ . 1 . 2]" 1
1380 1 81 ILE H 1 81 ILE HG13 . . 4.120 3.827 3.542 4.113 . 0 0 "[ . 1 . 2]" 1
1381 1 81 ILE H 1 81 ILE MG . . 4.180 3.708 3.584 3.801 . 0 0 "[ . 1 . 2]" 1
1382 1 81 ILE H 1 82 PHE H . . 4.410 4.078 3.427 4.365 . 0 0 "[ . 1 . 2]" 1
1383 1 81 ILE HA 1 81 ILE MD . . 3.470 1.975 1.884 2.105 . 0 0 "[ . 1 . 2]" 1
1384 1 81 ILE HA 1 81 ILE MG . . 3.250 2.408 2.206 2.585 . 0 0 "[ . 1 . 2]" 1
1385 1 81 ILE HA 1 82 PHE H . . 2.920 2.300 2.186 2.521 . 0 0 "[ . 1 . 2]" 1
1386 1 81 ILE HB 1 82 PHE H . . 4.660 4.558 4.462 4.625 . 0 0 "[ . 1 . 2]" 1
1387 1 81 ILE MD 1 81 ILE MG . . 2.400 2.122 1.972 2.372 . 0 0 "[ . 1 . 2]" 1
1388 1 81 ILE MD 1 82 PHE H . . 3.990 3.728 3.321 3.979 . 0 0 "[ . 1 . 2]" 1
1389 1 81 ILE QG 1 81 ILE MG . . 3.270 2.238 2.106 2.367 . 0 0 "[ . 1 . 2]" 1
1390 1 81 ILE QG 1 82 PHE H . . 5.110 4.864 4.649 5.006 . 0 0 "[ . 1 . 2]" 1
1391 1 81 ILE MG 1 82 PHE H . . 3.840 3.435 3.115 3.839 . 0 0 "[ . 1 . 2]" 1
1392 1 82 PHE H 1 82 PHE HB2 . . 3.940 2.908 2.580 3.184 . 0 0 "[ . 1 . 2]" 1
1393 1 82 PHE H 1 82 PHE HB3 . . 3.920 2.759 2.264 3.164 . 0 0 "[ . 1 . 2]" 1
1394 1 82 PHE H 1 83 VAL H . . 4.480 4.198 3.805 4.483 0.003 2 0 "[ . 1 . 2]" 1
1395 1 82 PHE HA 1 82 PHE QD . . 3.810 2.441 2.005 3.144 . 0 0 "[ . 1 . 2]" 1
1396 1 82 PHE HA 1 83 VAL HA . . 4.860 4.371 4.324 4.478 . 0 0 "[ . 1 . 2]" 1
1397 1 82 PHE HA 1 83 VAL QG . . 4.030 3.559 3.159 4.003 . 0 0 "[ . 1 . 2]" 1
1398 1 82 PHE QD 1 84 GLY QA . . 3.820 2.312 1.989 2.859 . 0 0 "[ . 1 . 2]" 1
1399 1 82 PHE QD 1 85 ILE MD . . 4.770 4.535 3.725 4.772 0.002 2 0 "[ . 1 . 2]" 1
1400 1 82 PHE QE 1 83 VAL QG . . 4.540 4.212 2.741 4.542 0.002 11 0 "[ . 1 . 2]" 1
1401 1 82 PHE QE 1 84 GLY H . . 4.010 3.522 2.818 3.999 . 0 0 "[ . 1 . 2]" 1
1402 1 82 PHE QE 1 84 GLY HA2 . . 4.540 2.651 2.097 3.105 . 0 0 "[ . 1 . 2]" 1
1403 1 82 PHE QE 1 84 GLY QA . . 3.800 2.625 2.084 3.053 . 0 0 "[ . 1 . 2]" 1
1404 1 82 PHE QE 1 84 GLY HA3 . . 4.540 4.262 3.625 4.539 . 0 0 "[ . 1 . 2]" 1
1405 1 82 PHE QE 1 85 ILE H . . 4.890 3.558 2.161 4.506 . 0 0 "[ . 1 . 2]" 1
1406 1 82 PHE QE 1 85 ILE MD . . 4.090 2.592 1.882 2.889 . 0 0 "[ . 1 . 2]" 1
1407 1 82 PHE QE 1 85 ILE HG12 . . 4.510 3.969 3.388 4.507 . 0 0 "[ . 1 . 2]" 1
1408 1 82 PHE QE 1 85 ILE QG . . 3.680 2.535 2.008 3.588 . 0 0 "[ . 1 . 2]" 1
1409 1 82 PHE QE 1 85 ILE HG13 . . 4.510 2.575 2.020 3.769 . 0 0 "[ . 1 . 2]" 1
1410 1 82 PHE HZ 1 85 ILE MD . . 3.950 2.444 2.025 3.602 . 0 0 "[ . 1 . 2]" 1
1411 1 82 PHE HZ 1 85 ILE HG12 . . 4.190 3.629 2.930 4.194 0.004 2 0 "[ . 1 . 2]" 1
1412 1 82 PHE HZ 1 85 ILE QG . . 3.490 2.744 1.974 3.454 . 0 0 "[ . 1 . 2]" 1
1413 1 82 PHE HZ 1 85 ILE HG13 . . 4.190 2.854 2.007 3.691 . 0 0 "[ . 1 . 2]" 1
1414 1 83 VAL H 1 83 VAL HB . . 4.130 2.776 2.191 3.543 . 0 0 "[ . 1 . 2]" 1
1415 1 83 VAL H 1 83 VAL MG1 . . 4.010 2.614 1.873 3.812 . 0 0 "[ . 1 . 2]" 1
1416 1 83 VAL H 1 83 VAL MG2 . . 4.010 2.753 1.884 3.785 . 0 0 "[ . 1 . 2]" 1
1417 1 83 VAL H 1 84 GLY H . . 3.660 2.688 2.098 3.689 0.029 2 0 "[ . 1 . 2]" 1
1418 1 83 VAL HA 1 83 VAL MG1 . . 3.410 2.674 2.092 3.219 . 0 0 "[ . 1 . 2]" 1
1419 1 83 VAL HA 1 83 VAL QG . . 2.980 2.177 2.001 2.356 . 0 0 "[ . 1 . 2]" 1
1420 1 83 VAL HA 1 83 VAL MG2 . . 3.410 2.573 2.070 3.216 . 0 0 "[ . 1 . 2]" 1
1421 1 83 VAL HA 1 84 GLY QA . . 4.530 4.246 4.043 4.296 . 0 0 "[ . 1 . 2]" 1
1422 1 83 VAL QG 1 84 GLY H . . 3.830 2.545 1.787 3.598 . 0 0 "[ . 1 . 2]" 1
1423 1 83 VAL QG 1 84 GLY QA . . 5.280 3.561 3.115 4.199 . 0 0 "[ . 1 . 2]" 1
1424 1 84 GLY QA 1 85 ILE HB . . 4.690 4.240 4.065 4.430 . 0 0 "[ . 1 . 2]" 1
1425 1 84 GLY HA2 1 85 ILE H . . 3.460 2.565 2.215 2.959 . 0 0 "[ . 1 . 2]" 1
1426 1 84 GLY HA3 1 85 ILE H . . 3.460 2.710 2.334 3.412 . 0 0 "[ . 1 . 2]" 1
1427 1 85 ILE H 1 85 ILE HB . . 3.630 2.538 2.186 2.836 . 0 0 "[ . 1 . 2]" 1
1428 1 85 ILE H 1 85 ILE MD . . 4.650 3.560 1.918 4.255 . 0 0 "[ . 1 . 2]" 1
1429 1 85 ILE H 1 85 ILE HG12 . . 4.490 4.188 3.749 4.475 . 0 0 "[ . 1 . 2]" 1
1430 1 85 ILE H 1 85 ILE QG . . 3.730 2.942 2.309 3.318 . 0 0 "[ . 1 . 2]" 1
1431 1 85 ILE H 1 85 ILE HG13 . . 4.490 3.010 2.331 3.420 . 0 0 "[ . 1 . 2]" 1
1432 1 85 ILE H 1 85 ILE MG . . 4.190 3.760 3.552 3.901 . 0 0 "[ . 1 . 2]" 1
1433 1 85 ILE HA 1 85 ILE MD . . 3.900 3.789 3.400 3.880 . 0 0 "[ . 1 . 2]" 1
1434 1 85 ILE HA 1 85 ILE HG12 . . 4.060 2.752 2.536 3.533 . 0 0 "[ . 1 . 2]" 1
1435 1 85 ILE HA 1 85 ILE QG . . 3.540 2.378 2.259 2.455 . 0 0 "[ . 1 . 2]" 1
1436 1 85 ILE HA 1 85 ILE HG13 . . 4.060 2.671 2.424 3.036 . 0 0 "[ . 1 . 2]" 1
1437 1 85 ILE HA 1 85 ILE MG . . 3.400 2.480 2.346 2.652 . 0 0 "[ . 1 . 2]" 1
1438 1 85 ILE HB 1 85 ILE MD . . 2.790 2.210 2.079 2.405 . 0 0 "[ . 1 . 2]" 1
1439 1 85 ILE HB 1 91 ARG QD . . 4.420 2.396 1.973 3.106 . 0 0 "[ . 1 . 2]" 1
1440 1 85 ILE MD 1 91 ARG HA . . 4.050 2.856 2.130 4.015 . 0 0 "[ . 1 . 2]" 1
1441 1 85 ILE MD 1 94 LEU HB3 . . 4.070 3.575 3.035 4.070 0.000 5 0 "[ . 1 . 2]" 1
1442 1 85 ILE MD 1 94 LEU QD . . 3.520 2.377 1.763 3.162 . 0 0 "[ . 1 . 2]" 1
1443 1 85 ILE QG 1 85 ILE MG . . 3.020 2.249 2.024 2.338 . 0 0 "[ . 1 . 2]" 1
1444 1 85 ILE QG 1 86 LYS H . . 5.310 4.049 3.501 4.322 . 0 0 "[ . 1 . 2]" 1
1445 1 85 ILE HG12 1 85 ILE MG . . 3.590 2.303 2.089 2.399 . 0 0 "[ . 1 . 2]" 1
1446 1 85 ILE HG13 1 85 ILE MG . . 3.590 3.161 2.713 3.238 . 0 0 "[ . 1 . 2]" 1
1447 1 85 ILE MG 1 87 LYS H . . 3.560 2.697 2.096 3.304 . 0 0 "[ . 1 . 2]" 1
1448 1 85 ILE MG 1 90 GLU H . . 4.720 3.791 3.308 4.426 . 0 0 "[ . 1 . 2]" 1
1449 1 85 ILE MG 1 90 GLU HB2 . . 3.280 2.641 1.911 3.286 0.006 2 0 "[ . 1 . 2]" 1
1450 1 85 ILE MG 1 90 GLU HB3 . . 3.280 2.222 1.790 2.920 . 0 0 "[ . 1 . 2]" 1
1451 1 85 ILE MG 1 90 GLU QG . . 4.040 3.212 1.697 4.041 0.001 4 0 "[ . 1 . 2]" 1
1452 1 85 ILE MG 1 91 ARG H . . 3.920 2.600 1.729 3.377 . 0 0 "[ . 1 . 2]" 1
1453 1 85 ILE MG 1 91 ARG HA . . 3.640 3.366 2.823 3.653 0.013 10 0 "[ . 1 . 2]" 1
1454 1 85 ILE MG 1 91 ARG HD2 . . 4.530 4.023 2.947 4.533 0.003 11 0 "[ . 1 . 2]" 1
1455 1 85 ILE MG 1 91 ARG QD . . 3.860 3.028 2.429 3.475 . 0 0 "[ . 1 . 2]" 1
1456 1 85 ILE MG 1 91 ARG HD3 . . 4.530 3.200 2.476 4.534 0.004 2 0 "[ . 1 . 2]" 1
1457 1 85 ILE MG 1 91 ARG QG . . 3.260 2.203 1.702 3.256 . 0 0 "[ . 1 . 2]" 1
1458 1 85 ILE MG 1 92 ALA H . . 5.280 4.778 3.815 5.275 . 0 0 "[ . 1 . 2]" 1
1459 1 86 LYS H 1 87 LYS QD . . 5.500 4.309 3.068 5.488 . 0 0 "[ . 1 . 2]" 1
1460 1 86 LYS HA 1 86 LYS QD . . 4.410 3.529 2.002 4.388 . 0 0 "[ . 1 . 2]" 1
1461 1 86 LYS HA 1 86 LYS HG2 . . 3.980 3.103 2.146 3.826 . 0 0 "[ . 1 . 2]" 1
1462 1 86 LYS HA 1 86 LYS QG . . 3.440 2.569 2.126 3.323 . 0 0 "[ . 1 . 2]" 1
1463 1 86 LYS HA 1 86 LYS HG3 . . 3.980 3.095 2.253 3.946 . 0 0 "[ . 1 . 2]" 1
1464 1 86 LYS QB 1 86 LYS QD . . 3.390 2.186 2.050 2.431 . 0 0 "[ . 1 . 2]" 1
1465 1 86 LYS QB 1 87 LYS H . . 3.260 2.642 1.990 3.267 0.007 14 0 "[ . 1 . 2]" 1
1466 1 86 LYS QD 1 86 LYS QG . . 2.480 2.106 2.056 2.134 . 0 0 "[ . 1 . 2]" 1
1467 1 86 LYS QD 1 87 LYS H . . 3.860 3.605 2.539 3.865 0.005 20 0 "[ . 1 . 2]" 1
1468 1 86 LYS QE 1 86 LYS QG . . 2.980 2.263 2.103 2.558 . 0 0 "[ . 1 . 2]" 1
1469 1 86 LYS HE2 1 86 LYS HG2 . . 4.000 3.196 2.427 3.901 . 0 0 "[ . 1 . 2]" 1
1470 1 86 LYS HE2 1 86 LYS HG3 . . 4.000 3.456 2.172 3.982 . 0 0 "[ . 1 . 2]" 1
1471 1 86 LYS HE3 1 86 LYS HG2 . . 4.000 2.807 2.167 4.000 . 0 0 "[ . 1 . 2]" 1
1472 1 86 LYS HE3 1 86 LYS HG3 . . 4.000 3.182 2.278 3.887 . 0 0 "[ . 1 . 2]" 1
1473 1 86 LYS QG 1 87 LYS H . . 4.740 3.709 1.779 4.491 . 0 0 "[ . 1 . 2]" 1
1474 1 87 LYS H 1 87 LYS HB2 . . 3.640 2.328 2.172 2.644 . 0 0 "[ . 1 . 2]" 1
1475 1 87 LYS H 1 87 LYS HB3 . . 3.640 3.509 3.461 3.546 . 0 0 "[ . 1 . 2]" 1
1476 1 87 LYS H 1 87 LYS QD . . 3.450 2.618 1.940 3.452 0.002 2 0 "[ . 1 . 2]" 1
1477 1 87 LYS H 1 87 LYS QE . . 4.950 4.066 2.444 4.770 . 0 0 "[ . 1 . 2]" 1
1478 1 87 LYS H 1 87 LYS HG2 . . 4.100 3.453 1.949 4.098 . 0 0 "[ . 1 . 2]" 1
1479 1 87 LYS H 1 87 LYS QG . . 3.400 2.729 1.936 3.351 . 0 0 "[ . 1 . 2]" 1
1480 1 87 LYS H 1 87 LYS HG3 . . 4.100 3.193 2.041 3.827 . 0 0 "[ . 1 . 2]" 1
1481 1 87 LYS H 1 90 GLU H . . 5.420 5.013 4.740 5.271 . 0 0 "[ . 1 . 2]" 1
1482 1 87 LYS HA 1 87 LYS HG2 . . 4.130 3.166 2.600 3.500 . 0 0 "[ . 1 . 2]" 1
1483 1 87 LYS HA 1 87 LYS QG . . 3.580 2.392 2.048 3.101 . 0 0 "[ . 1 . 2]" 1
1484 1 87 LYS HA 1 87 LYS HG3 . . 4.130 2.665 2.065 3.755 . 0 0 "[ . 1 . 2]" 1
1485 1 87 LYS QB 1 87 LYS QD . . 2.690 2.269 2.065 2.634 . 0 0 "[ . 1 . 2]" 1
1486 1 87 LYS QB 1 90 GLU H . . 3.670 2.562 2.110 2.927 . 0 0 "[ . 1 . 2]" 1
1487 1 87 LYS QB 1 90 GLU QG . . 3.990 2.809 2.020 3.802 . 0 0 "[ . 1 . 2]" 1
1488 1 87 LYS HB2 1 90 GLU H . . 4.390 3.343 2.924 3.579 . 0 0 "[ . 1 . 2]" 1
1489 1 87 LYS HB3 1 90 GLU H . . 4.390 2.716 2.136 3.266 . 0 0 "[ . 1 . 2]" 1
1490 1 87 LYS QD 1 90 GLU H . . 5.400 5.063 4.218 5.402 0.002 14 0 "[ . 1 . 2]" 1
1491 1 87 LYS QE 1 87 LYS QG . . 3.410 2.303 2.058 2.900 . 0 0 "[ . 1 . 2]" 1
1492 1 87 LYS QG 1 90 GLU H . . 5.240 4.530 4.009 5.069 . 0 0 "[ . 1 . 2]" 1
1493 1 88 LYS HA 1 88 LYS HG2 . . 3.880 2.817 2.433 3.635 . 0 0 "[ . 1 . 2]" 1
1494 1 88 LYS HA 1 88 LYS HG3 . . 3.880 2.919 2.373 3.629 . 0 0 "[ . 1 . 2]" 1
1495 1 88 LYS HA 1 90 GLU H . . 4.830 3.907 3.423 4.676 . 0 0 "[ . 1 . 2]" 1
1496 1 88 LYS HA 1 91 ARG H . . 4.710 3.458 2.803 4.026 . 0 0 "[ . 1 . 2]" 1
1497 1 88 LYS HA 1 91 ARG QB . . 4.500 3.349 1.986 4.546 0.046 10 0 "[ . 1 . 2]" 1
1498 1 88 LYS HA 1 91 ARG HE . . 5.050 4.190 2.607 5.055 0.005 4 0 "[ . 1 . 2]" 1
1499 1 88 LYS HA 1 92 ALA MB . . 4.690 4.275 2.711 4.692 0.002 4 0 "[ . 1 . 2]" 1
1500 1 88 LYS QB 1 88 LYS QE . . 3.920 2.967 2.053 3.776 . 0 0 "[ . 1 . 2]" 1
1501 1 88 LYS QB 1 89 GLU H . . 3.380 2.709 2.348 2.929 . 0 0 "[ . 1 . 2]" 1
1502 1 88 LYS HB2 1 89 GLU H . . 4.160 3.941 2.455 4.162 0.002 14 0 "[ . 1 . 2]" 1
1503 1 88 LYS HB3 1 89 GLU H . . 4.160 2.810 2.373 3.528 . 0 0 "[ . 1 . 2]" 1
1504 1 88 LYS QD 1 89 GLU H . . 4.620 3.918 2.627 4.619 . 0 0 "[ . 1 . 2]" 1
1505 1 88 LYS QE 1 88 LYS QG . . 3.050 2.347 2.072 2.708 . 0 0 "[ . 1 . 2]" 1
1506 1 88 LYS HG2 1 89 GLU H . . 5.010 4.081 3.689 4.931 . 0 0 "[ . 1 . 2]" 1
1507 1 88 LYS HG3 1 89 GLU H . . 5.010 4.939 4.726 5.010 . 0 0 "[ . 1 . 2]" 1
1508 1 89 GLU H 1 89 GLU QB . . 3.240 2.412 2.077 2.631 . 0 0 "[ . 1 . 2]" 1
1509 1 89 GLU H 1 89 GLU HG2 . . 4.220 2.816 1.951 4.254 0.034 10 0 "[ . 1 . 2]" 1
1510 1 89 GLU H 1 89 GLU QG . . 3.640 2.238 1.901 3.669 0.029 10 0 "[ . 1 . 2]" 1
1511 1 89 GLU H 1 89 GLU HG3 . . 4.220 2.873 1.982 4.009 . 0 0 "[ . 1 . 2]" 1
1512 1 89 GLU H 1 90 GLU H . . 3.690 2.733 2.424 2.955 . 0 0 "[ . 1 . 2]" 1
1513 1 89 GLU HA 1 89 GLU HG2 . . 3.920 3.037 2.283 3.863 . 0 0 "[ . 1 . 2]" 1
1514 1 89 GLU HA 1 89 GLU QG . . 3.430 2.764 2.196 3.333 . 0 0 "[ . 1 . 2]" 1
1515 1 89 GLU HA 1 89 GLU HG3 . . 3.920 3.339 2.581 3.918 . 0 0 "[ . 1 . 2]" 1
1516 1 89 GLU QB 1 90 GLU H . . 3.910 3.196 2.552 3.700 . 0 0 "[ . 1 . 2]" 1
1517 1 89 GLU QG 1 90 GLU H . . 4.360 3.507 1.783 4.427 0.067 10 0 "[ . 1 . 2]" 1
1518 1 90 GLU H 1 90 GLU QB . . 3.080 2.151 2.095 2.227 . 0 0 "[ . 1 . 2]" 1
1519 1 90 GLU H 1 90 GLU QG . . 3.800 3.393 2.736 3.853 0.053 16 0 "[ . 1 . 2]" 1
1520 1 90 GLU H 1 91 ARG H . . 3.320 2.709 2.342 3.094 . 0 0 "[ . 1 . 2]" 1
1521 1 90 GLU H 1 92 ALA H . . 4.640 3.741 3.400 4.079 . 0 0 "[ . 1 . 2]" 1
1522 1 90 GLU HA 1 90 GLU QG . . 3.080 2.460 2.068 3.112 0.032 14 0 "[ . 1 . 2]" 1
1523 1 90 GLU HB2 1 91 ARG H . . 3.750 3.001 2.280 3.775 0.025 16 0 "[ . 1 . 2]" 1
1524 1 90 GLU HB3 1 91 ARG H . . 3.750 2.895 1.950 3.749 . 0 0 "[ . 1 . 2]" 1
1525 1 90 GLU QG 1 91 ARG H . . 4.680 4.078 2.556 4.642 . 0 0 "[ . 1 . 2]" 1
1526 1 91 ARG H 1 91 ARG HB2 . . 3.810 2.728 2.089 3.566 . 0 0 "[ . 1 . 2]" 1
1527 1 91 ARG H 1 91 ARG QB . . 3.280 2.370 2.058 2.663 . 0 0 "[ . 1 . 2]" 1
1528 1 91 ARG H 1 91 ARG HB3 . . 3.810 3.194 2.302 3.576 . 0 0 "[ . 1 . 2]" 1
1529 1 91 ARG H 1 91 ARG HG2 . . 4.450 2.958 1.946 4.411 . 0 0 "[ . 1 . 2]" 1
1530 1 91 ARG H 1 91 ARG QG . . 3.610 2.386 1.911 3.593 . 0 0 "[ . 1 . 2]" 1
1531 1 91 ARG H 1 91 ARG HG3 . . 4.450 2.833 1.968 4.070 . 0 0 "[ . 1 . 2]" 1
1532 1 91 ARG H 1 92 ALA H . . 3.480 2.643 2.325 2.980 . 0 0 "[ . 1 . 2]" 1
1533 1 91 ARG HA 1 91 ARG QG . . 3.570 2.619 2.142 3.335 . 0 0 "[ . 1 . 2]" 1
1534 1 91 ARG HA 1 94 LEU H . . 4.290 3.215 2.776 3.861 . 0 0 "[ . 1 . 2]" 1
1535 1 91 ARG HA 1 94 LEU HB2 . . 3.540 3.096 2.178 3.540 . 0 0 "[ . 1 . 2]" 1
1536 1 91 ARG HA 1 94 LEU HB3 . . 3.920 2.605 2.019 3.188 . 0 0 "[ . 1 . 2]" 1
1537 1 91 ARG HA 1 94 LEU QD . . 4.640 3.518 2.849 4.136 . 0 0 "[ . 1 . 2]" 1
1538 1 91 ARG HA 1 95 ILE H . . 5.150 3.997 3.250 4.980 . 0 0 "[ . 1 . 2]" 1
1539 1 91 ARG QB 1 91 ARG QD . . 3.270 2.364 2.079 2.946 . 0 0 "[ . 1 . 2]" 1
1540 1 91 ARG QB 1 92 ALA H . . 3.640 3.054 2.399 3.593 . 0 0 "[ . 1 . 2]" 1
1541 1 91 ARG HB2 1 92 ALA H . . 4.230 3.272 2.477 4.083 . 0 0 "[ . 1 . 2]" 1
1542 1 91 ARG HB3 1 92 ALA H . . 4.230 3.846 2.841 4.234 0.004 11 0 "[ . 1 . 2]" 1
1543 1 92 ALA H 1 92 ALA MB . . 3.150 2.104 1.952 2.238 . 0 0 "[ . 1 . 2]" 1
1544 1 92 ALA H 1 93 ASP H . . 3.530 2.580 2.140 2.918 . 0 0 "[ . 1 . 2]" 1
1545 1 92 ALA HA 1 95 ILE H . . 4.130 3.816 3.398 4.099 . 0 0 "[ . 1 . 2]" 1
1546 1 92 ALA HA 1 95 ILE HB . . 3.730 3.176 2.433 3.730 0.000 20 0 "[ . 1 . 2]" 1
1547 1 92 ALA HA 1 95 ILE MD . . 3.960 3.022 2.094 3.570 . 0 0 "[ . 1 . 2]" 1
1548 1 92 ALA MB 1 93 ASP H . . 3.490 2.849 2.317 3.178 . 0 0 "[ . 1 . 2]" 1
1549 1 93 ASP H 1 93 ASP QB . . 3.260 2.386 2.155 2.949 . 0 0 "[ . 1 . 2]" 1
1550 1 93 ASP H 1 94 LEU HB2 . . 4.750 4.479 4.133 4.750 . 0 0 "[ . 1 . 2]" 1
1551 1 93 ASP H 1 94 LEU HB3 . . 5.210 4.638 4.235 5.222 0.012 16 0 "[ . 1 . 2]" 1
1552 1 93 ASP H 1 95 ILE HB . . 5.500 4.990 4.605 5.453 . 0 0 "[ . 1 . 2]" 1
1553 1 93 ASP HA 1 95 ILE H . . 4.450 4.021 3.495 4.451 0.001 7 0 "[ . 1 . 2]" 1
1554 1 93 ASP HA 1 96 ALA H . . 4.190 3.101 2.895 3.395 . 0 0 "[ . 1 . 2]" 1
1555 1 93 ASP HA 1 96 ALA MB . . 3.850 2.292 1.979 2.805 . 0 0 "[ . 1 . 2]" 1
1556 1 93 ASP QB 1 94 LEU H . . 3.550 2.451 2.027 3.029 . 0 0 "[ . 1 . 2]" 1
1557 1 94 LEU H 1 94 LEU HB2 . . 3.360 2.265 2.043 2.399 . 0 0 "[ . 1 . 2]" 1
1558 1 94 LEU H 1 94 LEU HB3 . . 3.310 2.637 2.470 2.998 . 0 0 "[ . 1 . 2]" 1
1559 1 94 LEU H 1 94 LEU MD1 . . 4.290 4.051 3.737 4.289 . 0 0 "[ . 1 . 2]" 1
1560 1 94 LEU H 1 94 LEU MD2 . . 4.290 4.048 3.690 4.192 . 0 0 "[ . 1 . 2]" 1
1561 1 94 LEU H 1 95 ILE H . . 3.650 2.763 2.484 3.002 . 0 0 "[ . 1 . 2]" 1
1562 1 94 LEU HA 1 94 LEU MD1 . . 3.920 2.792 1.919 3.823 . 0 0 "[ . 1 . 2]" 1
1563 1 94 LEU HA 1 94 LEU QD . . 3.040 2.080 1.869 2.701 . 0 0 "[ . 1 . 2]" 1
1564 1 94 LEU HA 1 94 LEU MD2 . . 3.920 2.924 1.880 3.899 . 0 0 "[ . 1 . 2]" 1
1565 1 94 LEU HA 1 94 LEU HG . . 3.690 3.161 2.446 3.726 0.036 17 0 "[ . 1 . 2]" 1
1566 1 94 LEU HA 1 97 TYR HB2 . . 5.070 4.034 3.672 4.503 . 0 0 "[ . 1 . 2]" 1
1567 1 94 LEU HB2 1 95 ILE H . . 4.180 3.948 3.534 4.180 . 0 0 "[ . 1 . 2]" 1
1568 1 94 LEU HB3 1 95 ILE H . . 3.830 2.924 2.572 3.380 . 0 0 "[ . 1 . 2]" 1
1569 1 94 LEU HB3 1 98 LEU MD1 . . 5.500 4.469 3.579 5.019 . 0 0 "[ . 1 . 2]" 1
1570 1 94 LEU QD 1 95 ILE H . . 4.290 3.852 3.290 4.258 . 0 0 "[ . 1 . 2]" 1
1571 1 94 LEU QD 1 97 TYR H . . 4.980 4.516 4.281 4.901 . 0 0 "[ . 1 . 2]" 1
1572 1 94 LEU QD 1 97 TYR HB3 . . 4.300 3.258 2.956 3.563 . 0 0 "[ . 1 . 2]" 1
1573 1 94 LEU QD 1 97 TYR HD2 . . 3.620 2.678 2.404 2.962 . 0 0 "[ . 1 . 2]" 1
1574 1 94 LEU QD 1 97 TYR HE2 . . 4.260 3.969 3.636 4.262 0.002 18 0 "[ . 1 . 2]" 1
1575 1 94 LEU QD 1 98 LEU MD2 . . 3.920 3.420 2.799 3.917 . 0 0 "[ . 1 . 2]" 1
1576 1 94 LEU QD 1 98 LEU HG . . 3.850 3.243 2.607 3.827 . 0 0 "[ . 1 . 2]" 1
1577 1 94 LEU MD1 1 95 ILE H . . 5.020 4.397 3.699 5.021 0.001 11 0 "[ . 1 . 2]" 1
1578 1 94 LEU MD2 1 95 ILE H . . 5.020 4.429 3.373 4.990 . 0 0 "[ . 1 . 2]" 1
1579 1 95 ILE H 1 95 ILE HB . . 3.010 2.338 2.246 2.500 . 0 0 "[ . 1 . 2]" 1
1580 1 95 ILE H 1 95 ILE MD . . 3.850 3.601 3.491 3.848 . 0 0 "[ . 1 . 2]" 1
1581 1 95 ILE H 1 95 ILE HG12 . . 3.660 3.586 3.414 3.660 . 0 0 "[ . 1 . 2]" 1
1582 1 95 ILE H 1 95 ILE HG13 . . 3.040 2.338 2.113 2.581 . 0 0 "[ . 1 . 2]" 1
1583 1 95 ILE H 1 95 ILE MG . . 4.000 3.698 3.656 3.780 . 0 0 "[ . 1 . 2]" 1
1584 1 95 ILE H 1 96 ALA H . . 3.440 2.485 2.167 2.784 . 0 0 "[ . 1 . 2]" 1
1585 1 95 ILE HA 1 95 ILE MD . . 4.290 3.808 3.735 3.857 . 0 0 "[ . 1 . 2]" 1
1586 1 95 ILE HA 1 95 ILE HG12 . . 3.400 2.498 2.379 2.601 . 0 0 "[ . 1 . 2]" 1
1587 1 95 ILE HA 1 95 ILE HG13 . . 3.760 2.918 2.738 3.043 . 0 0 "[ . 1 . 2]" 1
1588 1 95 ILE HA 1 95 ILE MG . . 3.620 2.485 2.338 2.569 . 0 0 "[ . 1 . 2]" 1
1589 1 95 ILE HA 1 98 LEU HB2 . . 3.720 2.915 2.576 3.169 . 0 0 "[ . 1 . 2]" 1
1590 1 95 ILE HA 1 98 LEU HB3 . . 4.630 4.439 4.088 4.625 . 0 0 "[ . 1 . 2]" 1
1591 1 95 ILE HA 1 98 LEU MD1 . . 4.410 2.238 1.958 2.553 . 0 0 "[ . 1 . 2]" 1
1592 1 95 ILE HA 1 98 LEU MD2 . . 4.820 4.478 4.307 4.630 . 0 0 "[ . 1 . 2]" 1
1593 1 95 ILE HA 1 99 LYS H . . 4.530 4.406 4.093 4.531 0.001 9 0 "[ . 1 . 2]" 1
1594 1 95 ILE HB 1 95 ILE MD . . 2.830 2.281 2.223 2.440 . 0 0 "[ . 1 . 2]" 1
1595 1 95 ILE HB 1 95 ILE HG13 . . 2.490 2.481 2.412 2.512 0.022 11 0 "[ . 1 . 2]" 1
1596 1 95 ILE HB 1 96 ALA H . . 3.660 2.719 2.457 3.062 . 0 0 "[ . 1 . 2]" 1
1597 1 95 ILE MD 1 95 ILE MG . . 2.880 2.054 1.880 2.186 . 0 0 "[ . 1 . 2]" 1
1598 1 95 ILE HG12 1 96 ALA H . . 5.250 5.083 4.971 5.215 . 0 0 "[ . 1 . 2]" 1
1599 1 95 ILE HG13 1 95 ILE MG . . 3.370 3.234 3.224 3.241 . 0 0 "[ . 1 . 2]" 1
1600 1 95 ILE HG13 1 96 ALA H . . 4.560 4.373 4.126 4.551 . 0 0 "[ . 1 . 2]" 1
1601 1 95 ILE MG 1 96 ALA H . . 4.210 3.405 3.027 3.679 . 0 0 "[ . 1 . 2]" 1
1602 1 96 ALA H 1 96 ALA MB . . 3.150 2.083 1.998 2.177 . 0 0 "[ . 1 . 2]" 1
1603 1 96 ALA HA 1 99 LYS H . . 4.010 3.271 3.166 3.461 . 0 0 "[ . 1 . 2]" 1
1604 1 96 ALA HA 1 99 LYS HB2 . . 4.440 2.451 2.202 2.627 . 0 0 "[ . 1 . 2]" 1
1605 1 96 ALA HA 1 99 LYS HB3 . . 4.740 3.979 3.676 4.106 . 0 0 "[ . 1 . 2]" 1
1606 1 96 ALA HA 1 99 LYS QD . . 4.540 2.689 2.403 3.192 . 0 0 "[ . 1 . 2]" 1
1607 1 96 ALA MB 1 97 TYR H . . 3.610 2.353 1.951 2.734 . 0 0 "[ . 1 . 2]" 1
1608 1 96 ALA MB 1 97 TYR HB3 . . 5.150 4.203 3.936 4.417 . 0 0 "[ . 1 . 2]" 1
1609 1 97 TYR H 1 97 TYR HB2 . . 3.370 2.576 2.466 2.668 . 0 0 "[ . 1 . 2]" 1
1610 1 97 TYR H 1 97 TYR HB3 . . 3.390 2.139 2.018 2.256 . 0 0 "[ . 1 . 2]" 1
1611 1 97 TYR H 1 97 TYR HD2 . . 4.950 4.351 4.175 4.536 . 0 0 "[ . 1 . 2]" 1
1612 1 97 TYR H 1 98 LEU H . . 3.410 2.935 2.662 3.086 . 0 0 "[ . 1 . 2]" 1
1613 1 97 TYR H 1 98 LEU HG . . 4.650 4.579 4.288 4.651 0.001 11 0 "[ . 1 . 2]" 1
1614 1 97 TYR H 1 100 LYS H . . 5.140 4.896 4.744 5.135 . 0 0 "[ . 1 . 2]" 1
1615 1 97 TYR HA 1 97 TYR HD1 . . 3.350 2.779 2.609 2.835 . 0 0 "[ . 1 . 2]" 1
1616 1 97 TYR HA 1 97 TYR HD2 . . 4.670 4.645 4.618 4.673 0.003 20 0 "[ . 1 . 2]" 1
1617 1 97 TYR HA 1 100 LYS H . . 4.620 3.425 3.342 3.653 . 0 0 "[ . 1 . 2]" 1
1618 1 97 TYR HA 1 100 LYS QB . . 4.130 2.694 2.362 3.343 . 0 0 "[ . 1 . 2]" 1
1619 1 97 TYR HA 1 101 ALA H . . 4.630 4.419 4.116 4.537 . 0 0 "[ . 1 . 2]" 1
1620 1 97 TYR HB2 1 97 TYR HD1 . . 3.670 2.679 2.647 2.747 . 0 0 "[ . 1 . 2]" 1
1621 1 97 TYR HB2 1 97 TYR HE1 . . 5.500 4.892 4.874 4.930 . 0 0 "[ . 1 . 2]" 1
1622 1 97 TYR HB2 1 98 LEU H . . 4.050 3.951 3.832 4.051 0.001 7 0 "[ . 1 . 2]" 1
1623 1 97 TYR HB3 1 97 TYR HD2 . . 3.540 2.324 2.313 2.331 . 0 0 "[ . 1 . 2]" 1
1624 1 97 TYR HB3 1 98 LEU H . . 3.740 2.562 2.380 2.710 . 0 0 "[ . 1 . 2]" 1
1625 1 97 TYR HB3 1 98 LEU HG . . 4.180 3.392 3.170 3.487 . 0 0 "[ . 1 . 2]" 1
1626 1 97 TYR HD1 1 98 LEU H . . 5.330 5.046 4.977 5.145 . 0 0 "[ . 1 . 2]" 1
1627 1 97 TYR HD1 1 98 LEU HA . . 5.270 5.243 5.158 5.272 0.002 7 0 "[ . 1 . 2]" 1
1628 1 97 TYR HD1 1 98 LEU MD2 . . 5.500 5.484 5.409 5.502 0.002 17 0 "[ . 1 . 2]" 1
1629 1 97 TYR HD1 1 100 LYS QB . . 4.480 3.928 3.634 4.164 . 0 0 "[ . 1 . 2]" 1
1630 1 97 TYR HD1 1 101 ALA MB . . 4.350 3.664 3.379 4.031 . 0 0 "[ . 1 . 2]" 1
1631 1 97 TYR HD2 1 98 LEU H . . 3.890 3.086 2.863 3.350 . 0 0 "[ . 1 . 2]" 1
1632 1 97 TYR HD2 1 98 LEU MD1 . . 3.860 3.838 3.738 3.863 0.003 16 0 "[ . 1 . 2]" 1
1633 1 97 TYR HD2 1 98 LEU MD2 . . 3.830 2.506 2.282 2.808 . 0 0 "[ . 1 . 2]" 1
1634 1 97 TYR HD2 1 98 LEU HG . . 3.680 2.421 2.289 2.512 . 0 0 "[ . 1 . 2]" 1
1635 1 97 TYR HD2 1 101 ALA MB . . 4.320 4.015 3.808 4.316 . 0 0 "[ . 1 . 2]" 1
1636 1 97 TYR HE1 1 101 ALA MB . . 3.750 3.127 2.776 3.493 . 0 0 "[ . 1 . 2]" 1
1637 1 97 TYR HE2 1 98 LEU HA . . 4.900 4.365 4.155 4.592 . 0 0 "[ . 1 . 2]" 1
1638 1 97 TYR HE2 1 98 LEU MD1 . . 4.950 4.820 4.722 4.952 0.002 7 0 "[ . 1 . 2]" 1
1639 1 97 TYR HE2 1 98 LEU MD2 . . 3.920 2.439 2.269 2.625 . 0 0 "[ . 1 . 2]" 1
1640 1 97 TYR HE2 1 101 ALA MB . . 3.970 3.647 3.420 3.975 0.005 7 0 "[ . 1 . 2]" 1
1641 1 98 LEU H 1 98 LEU HB2 . . 3.260 2.456 2.376 2.525 . 0 0 "[ . 1 . 2]" 1
1642 1 98 LEU H 1 98 LEU HB3 . . 3.810 3.534 3.526 3.547 . 0 0 "[ . 1 . 2]" 1
1643 1 98 LEU H 1 98 LEU MD1 . . 4.150 3.424 3.321 3.498 . 0 0 "[ . 1 . 2]" 1
1644 1 98 LEU H 1 98 LEU MD2 . . 4.010 3.431 3.314 3.570 . 0 0 "[ . 1 . 2]" 1
1645 1 98 LEU H 1 98 LEU HG . . 3.220 2.148 2.016 2.334 . 0 0 "[ . 1 . 2]" 1
1646 1 98 LEU H 1 99 LYS H . . 2.830 2.701 2.567 2.835 0.005 16 0 "[ . 1 . 2]" 1
1647 1 98 LEU H 1 100 LYS H . . 4.600 3.815 3.617 3.948 . 0 0 "[ . 1 . 2]" 1
1648 1 98 LEU HA 1 98 LEU MD2 . . 3.020 2.062 1.973 2.267 . 0 0 "[ . 1 . 2]" 1
1649 1 98 LEU HA 1 98 LEU HG . . 3.890 2.987 2.939 3.036 . 0 0 "[ . 1 . 2]" 1
1650 1 98 LEU HA 1 100 LYS H . . 5.490 3.549 3.497 3.674 . 0 0 "[ . 1 . 2]" 1
1651 1 98 LEU HA 1 101 ALA H . . 4.300 2.780 2.658 3.123 . 0 0 "[ . 1 . 2]" 1
1652 1 98 LEU HA 1 101 ALA MB . . 3.740 2.085 1.947 2.335 . 0 0 "[ . 1 . 2]" 1
1653 1 98 LEU HA 1 102 THR H . . 4.600 2.774 2.578 3.072 . 0 0 "[ . 1 . 2]" 1
1654 1 98 LEU HA 1 102 THR MG . . 3.850 2.772 2.414 3.336 . 0 0 "[ . 1 . 2]" 1
1655 1 98 LEU HB2 1 98 LEU MD2 . . 3.540 3.202 3.189 3.209 . 0 0 "[ . 1 . 2]" 1
1656 1 98 LEU HB2 1 99 LYS H . . 3.790 2.711 2.462 2.870 . 0 0 "[ . 1 . 2]" 1
1657 1 98 LEU HB2 1 101 ALA MB . . 4.960 4.695 4.564 4.938 . 0 0 "[ . 1 . 2]" 1
1658 1 98 LEU HB3 1 98 LEU MD2 . . 3.420 2.330 2.219 2.387 . 0 0 "[ . 1 . 2]" 1
1659 1 98 LEU HB3 1 99 LYS H . . 4.010 3.753 3.531 3.903 . 0 0 "[ . 1 . 2]" 1
1660 1 98 LEU MD1 1 99 LYS H . . 4.790 4.447 4.181 4.590 . 0 0 "[ . 1 . 2]" 1
1661 1 98 LEU MD2 1 102 THR MG . . 3.750 2.949 2.486 3.568 . 0 0 "[ . 1 . 2]" 1
1662 1 98 LEU HG 1 99 LYS H . . 4.490 4.379 4.228 4.493 0.003 17 0 "[ . 1 . 2]" 1
1663 1 98 LEU HG 1 102 THR MG . . 5.010 4.574 4.242 5.011 0.001 7 0 "[ . 1 . 2]" 1
1664 1 99 LYS H 1 99 LYS HB2 . . 3.380 2.123 2.095 2.158 . 0 0 "[ . 1 . 2]" 1
1665 1 99 LYS H 1 99 LYS HB3 . . 3.550 3.427 3.403 3.453 . 0 0 "[ . 1 . 2]" 1
1666 1 99 LYS H 1 99 LYS HD2 . . 3.240 2.777 2.465 2.899 . 0 0 "[ . 1 . 2]" 1
1667 1 99 LYS H 1 99 LYS HD3 . . 3.240 2.635 2.216 2.786 . 0 0 "[ . 1 . 2]" 1
1668 1 99 LYS H 1 99 LYS HG2 . . 4.760 4.163 3.905 4.238 . 0 0 "[ . 1 . 2]" 1
1669 1 99 LYS H 1 99 LYS QG . . 4.150 3.450 3.400 3.511 . 0 0 "[ . 1 . 2]" 1
1670 1 99 LYS H 1 99 LYS HG3 . . 4.760 3.686 3.609 3.862 . 0 0 "[ . 1 . 2]" 1
1671 1 99 LYS H 1 100 LYS H . . 3.430 2.636 2.588 2.744 . 0 0 "[ . 1 . 2]" 1
1672 1 99 LYS HA 1 99 LYS HD2 . . 3.850 3.051 2.376 3.194 . 0 0 "[ . 1 . 2]" 1
1673 1 99 LYS HA 1 99 LYS QD . . 3.270 2.925 2.333 3.040 . 0 0 "[ . 1 . 2]" 1
1674 1 99 LYS HA 1 99 LYS HD3 . . 3.850 3.776 3.398 3.851 0.001 8 0 "[ . 1 . 2]" 1
1675 1 99 LYS HA 1 99 LYS HG2 . . 4.020 3.412 3.370 3.546 . 0 0 "[ . 1 . 2]" 1
1676 1 99 LYS HA 1 99 LYS QG . . 3.370 2.074 2.027 2.307 . 0 0 "[ . 1 . 2]" 1
1677 1 99 LYS HA 1 99 LYS HG3 . . 4.020 2.092 2.043 2.337 . 0 0 "[ . 1 . 2]" 1
1678 1 99 LYS HA 1 102 THR H . . 4.980 4.720 4.455 4.903 . 0 0 "[ . 1 . 2]" 1
1679 1 99 LYS HB2 1 99 LYS HD2 . . 3.240 3.104 2.986 3.237 . 0 0 "[ . 1 . 2]" 1
1680 1 99 LYS HB2 1 99 LYS QD . . 2.740 2.132 2.073 2.381 . 0 0 "[ . 1 . 2]" 1
1681 1 99 LYS HB2 1 99 LYS HD3 . . 3.240 2.173 2.105 2.450 . 0 0 "[ . 1 . 2]" 1
1682 1 99 LYS HB2 1 100 LYS H . . 3.750 3.502 3.350 3.565 . 0 0 "[ . 1 . 2]" 1
1683 1 99 LYS HB3 1 100 LYS H . . 4.530 3.943 3.815 4.010 . 0 0 "[ . 1 . 2]" 1
1684 1 99 LYS QD 1 100 LYS H . . 5.050 4.542 4.305 4.630 . 0 0 "[ . 1 . 2]" 1
1685 1 99 LYS QE 1 99 LYS HG2 . . 3.900 2.474 2.106 2.958 . 0 0 "[ . 1 . 2]" 1
1686 1 99 LYS QE 1 99 LYS HG3 . . 3.900 2.886 2.615 3.302 . 0 0 "[ . 1 . 2]" 1
1687 1 100 LYS H 1 100 LYS QB . . 3.110 2.454 2.283 2.683 . 0 0 "[ . 1 . 2]" 1
1688 1 100 LYS H 1 100 LYS HG2 . . 4.820 3.801 2.490 4.814 . 0 0 "[ . 1 . 2]" 1
1689 1 100 LYS H 1 100 LYS QG . . 4.050 3.380 2.460 4.043 . 0 0 "[ . 1 . 2]" 1
1690 1 100 LYS H 1 100 LYS HG3 . . 4.820 4.147 3.793 4.744 . 0 0 "[ . 1 . 2]" 1
1691 1 100 LYS H 1 101 ALA H . . 3.310 1.976 1.898 2.366 . 0 0 "[ . 1 . 2]" 1
1692 1 100 LYS HA 1 100 LYS HD2 . . 2.990 2.587 2.098 2.991 0.001 15 0 "[ . 1 . 2]" 1
1693 1 100 LYS HA 1 100 LYS HD3 . . 2.990 2.382 2.049 2.725 . 0 0 "[ . 1 . 2]" 1
1694 1 100 LYS HA 1 100 LYS HG2 . . 4.110 3.347 2.392 3.784 . 0 0 "[ . 1 . 2]" 1
1695 1 100 LYS HA 1 100 LYS QG . . 3.250 2.926 2.358 3.092 . 0 0 "[ . 1 . 2]" 1
1696 1 100 LYS HA 1 100 LYS HG3 . . 4.110 3.462 3.028 3.844 . 0 0 "[ . 1 . 2]" 1
1697 1 100 LYS QB 1 100 LYS QD . . 2.340 2.292 2.128 2.347 0.007 15 0 "[ . 1 . 2]" 1
1698 1 100 LYS QB 1 101 ALA H . . 3.470 3.271 2.295 3.465 . 0 0 "[ . 1 . 2]" 1
1699 1 100 LYS QB 1 101 ALA HA . . 4.740 4.336 3.827 4.610 . 0 0 "[ . 1 . 2]" 1
1700 1 100 LYS QB 1 101 ALA MB . . 4.350 3.974 3.723 4.129 . 0 0 "[ . 1 . 2]" 1
1701 1 100 LYS QG 1 101 ALA H . . 4.290 4.197 4.007 4.298 0.008 15 0 "[ . 1 . 2]" 1
1702 1 101 ALA H 1 101 ALA MB . . 3.080 2.170 1.957 2.261 . 0 0 "[ . 1 . 2]" 1
1703 1 101 ALA H 1 102 THR H . . 3.650 2.726 2.643 3.059 . 0 0 "[ . 1 . 2]" 1
1704 1 101 ALA H 1 102 THR HA . . 5.480 5.101 5.000 5.498 0.018 15 0 "[ . 1 . 2]" 1
1705 1 101 ALA H 1 102 THR MG . . 4.470 3.489 3.365 4.463 . 0 0 "[ . 1 . 2]" 1
1706 1 101 ALA HA 1 102 THR MG . . 5.500 4.930 4.819 5.288 . 0 0 "[ . 1 . 2]" 1
1707 1 101 ALA HA 1 103 ASN H . . 4.710 4.064 3.770 4.657 . 0 0 "[ . 1 . 2]" 1
1708 1 101 ALA HA 1 104 GLU H . . 4.790 3.734 3.141 4.244 . 0 0 "[ . 1 . 2]" 1
1709 1 101 ALA HA 1 104 GLU QB . . 4.380 3.278 2.390 4.326 . 0 0 "[ . 1 . 2]" 1
1710 1 101 ALA HA 1 104 GLU QG . . 4.020 3.520 2.370 4.023 0.003 5 0 "[ . 1 . 2]" 1
1711 1 101 ALA MB 1 102 THR H . . 3.870 2.007 1.918 2.459 . 0 0 "[ . 1 . 2]" 1
1712 1 101 ALA MB 1 102 THR HA . . 4.170 3.705 3.631 3.827 . 0 0 "[ . 1 . 2]" 1
1713 1 101 ALA MB 1 102 THR MG . . 4.190 3.189 2.954 3.774 . 0 0 "[ . 1 . 2]" 1
1714 1 101 ALA MB 1 103 ASN H . . 4.610 3.879 3.767 4.304 . 0 0 "[ . 1 . 2]" 1
1715 1 102 THR H 1 102 THR MG . . 3.440 1.954 1.882 2.279 . 0 0 "[ . 1 . 2]" 1
1716 1 102 THR H 1 103 ASN H . . 3.490 2.723 2.596 3.311 . 0 0 "[ . 1 . 2]" 1
1717 1 102 THR HA 1 102 THR MG . . 3.460 3.233 3.222 3.238 . 0 0 "[ . 1 . 2]" 1
1718 1 102 THR HA 1 103 ASN QB . . 5.340 5.098 4.654 5.327 . 0 0 "[ . 1 . 2]" 1
1719 1 102 THR HB 1 103 ASN H . . 5.500 4.354 4.149 4.704 . 0 0 "[ . 1 . 2]" 1
1720 1 102 THR MG 1 103 ASN H . . 4.200 2.470 1.932 3.817 . 0 0 "[ . 1 . 2]" 1
1721 1 102 THR MG 1 103 ASN HA . . 4.020 3.722 3.400 3.994 . 0 0 "[ . 1 . 2]" 1
1722 1 103 ASN H 1 103 ASN HB2 . . 3.860 2.585 2.335 2.847 . 0 0 "[ . 1 . 2]" 1
1723 1 103 ASN H 1 103 ASN QB . . 3.310 2.282 2.167 2.588 . 0 0 "[ . 1 . 2]" 1
1724 1 103 ASN H 1 103 ASN HB3 . . 3.860 2.654 2.269 3.553 . 0 0 "[ . 1 . 2]" 1
1725 1 103 ASN H 1 104 GLU H . . 3.470 2.500 1.908 3.178 . 0 0 "[ . 1 . 2]" 1
1726 1 103 ASN QB 1 104 GLU H . . 4.320 2.958 1.934 3.964 . 0 0 "[ . 1 . 2]" 1
1727 1 104 GLU H 1 104 GLU HB2 . . 3.930 2.871 2.133 3.929 . 0 0 "[ . 1 . 2]" 1
1728 1 104 GLU H 1 104 GLU HB3 . . 3.930 2.907 2.192 3.581 . 0 0 "[ . 1 . 2]" 1
1729 1 104 GLU H 1 104 GLU QG . . 3.910 2.748 1.949 3.907 . 0 0 "[ . 1 . 2]" 1
1730 1 104 GLU HA 1 104 GLU QG . . 3.860 2.795 2.050 3.439 . 0 0 "[ . 1 . 2]" 1
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save_