NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
574393 |
2m3a   |
18951 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m3a
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 1243
_Distance_constraint_stats_list.Viol_count 216
_Distance_constraint_stats_list.Viol_total 33.322
_Distance_constraint_stats_list.Viol_max 0.260
_Distance_constraint_stats_list.Viol_rms 0.0053
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0154
_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 3 LEU 0.000 0.000 . 0 "[ . 1]"
1 5 SER 0.000 0.000 . 0 "[ . 1]"
1 6 VAL 0.000 0.000 . 0 "[ . 1]"
1 7 ALA 0.000 0.000 . 0 "[ . 1]"
1 8 LYS 0.100 0.100 5 0 "[ . 1]"
1 9 LYS 0.100 0.100 5 0 "[ . 1]"
1 10 ILE 0.247 0.079 2 0 "[ . 1]"
1 11 THR 0.000 0.000 . 0 "[ . 1]"
1 12 TRP 0.003 0.002 9 0 "[ . 1]"
1 13 ARG 0.000 0.000 . 0 "[ . 1]"
1 14 LYS 0.001 0.001 7 0 "[ . 1]"
1 15 GLN 0.155 0.052 4 0 "[ . 1]"
1 16 ASP 0.155 0.052 4 0 "[ . 1]"
1 17 LEU 0.003 0.001 9 0 "[ . 1]"
1 18 ASP 0.003 0.003 2 0 "[ . 1]"
1 19 ARG 0.000 0.000 . 0 "[ . 1]"
1 20 LEU 0.011 0.002 2 0 "[ . 1]"
1 21 LYS 0.005 0.003 2 0 "[ . 1]"
1 22 ARG 0.000 0.000 2 0 "[ . 1]"
1 23 VAL 0.044 0.019 7 0 "[ . 1]"
1 24 ILE 0.031 0.005 4 0 "[ . 1]"
1 25 ALA 0.000 0.000 . 0 "[ . 1]"
1 26 LEU 0.000 0.000 . 0 "[ . 1]"
1 27 LYS 0.032 0.019 7 0 "[ . 1]"
1 28 LYS 0.000 0.000 . 0 "[ . 1]"
1 29 PRO 0.101 0.100 7 0 "[ . 1]"
1 30 SER 0.009 0.002 9 0 "[ . 1]"
1 31 ALA 0.132 0.100 7 0 "[ . 1]"
1 32 SER 0.009 0.002 9 0 "[ . 1]"
1 33 ASP 0.004 0.003 3 0 "[ . 1]"
1 34 ALA 0.022 0.005 6 0 "[ . 1]"
1 35 ASP 0.008 0.006 7 0 "[ . 1]"
1 36 TRP 0.066 0.012 7 0 "[ . 1]"
1 37 THR 0.416 0.181 6 0 "[ . 1]"
1 38 GLU 0.361 0.181 6 0 "[ . 1]"
1 39 VAL 0.086 0.015 4 0 "[ . 1]"
1 40 LEU 0.680 0.163 2 0 "[ . 1]"
1 41 ARG 0.004 0.004 8 0 "[ . 1]"
1 42 LEU 0.051 0.014 7 0 "[ . 1]"
1 43 LEU 0.774 0.260 8 0 "[ . 1]"
1 44 ALA 0.057 0.024 6 0 "[ . 1]"
1 45 LYS 0.671 0.260 8 0 "[ . 1]"
1 46 GLU 0.312 0.108 5 0 "[ . 1]"
1 47 GLY 0.115 0.108 5 0 "[ . 1]"
1 48 VAL 0.198 0.040 5 0 "[ . 1]"
1 49 VAL 0.002 0.002 9 0 "[ . 1]"
1 50 GLU 0.002 0.002 9 0 "[ . 1]"
1 51 PRO 0.075 0.018 6 0 "[ . 1]"
1 52 GLU 0.000 0.000 . 0 "[ . 1]"
1 53 VAL 0.002 0.002 9 0 "[ . 1]"
1 54 VAL 0.373 0.050 6 0 "[ . 1]"
1 55 ARG 0.000 0.000 . 0 "[ . 1]"
1 56 GLN 0.012 0.008 4 0 "[ . 1]"
1 57 ILE 0.038 0.014 7 0 "[ . 1]"
1 58 ALA 0.112 0.015 4 0 "[ . 1]"
1 59 ILE 0.003 0.003 4 0 "[ . 1]"
1 60 THR 0.082 0.018 2 0 "[ . 1]"
1 61 ARG 0.075 0.018 2 0 "[ . 1]"
1 62 LEU 0.040 0.008 7 0 "[ . 1]"
1 63 LYS 0.000 0.000 . 0 "[ . 1]"
1 64 TRP 0.219 0.017 3 0 "[ . 1]"
1 65 VAL 0.004 0.002 9 0 "[ . 1]"
1 66 GLU 0.008 0.002 10 0 "[ . 1]"
1 67 PRO 0.093 0.017 3 0 "[ . 1]"
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 3 LEU H 1 3 LEU QD . . 4.917 3.303 2.105 4.092 . 0 0 "[ . 1]" 1
2 1 5 SER HA 1 6 VAL H . . 3.828 2.587 2.143 3.466 . 0 0 "[ . 1]" 1
3 1 5 SER QB 1 6 VAL H . . 5.478 3.290 2.374 3.920 . 0 0 "[ . 1]" 1
4 1 6 VAL HA 1 7 ALA H . . 3.333 2.366 2.194 2.626 . 0 0 "[ . 1]" 1
5 1 6 VAL HA 1 7 ALA MB . . 5.797 4.065 3.794 4.281 . 0 0 "[ . 1]" 1
6 1 6 VAL HB 1 7 ALA H . . 5.027 3.402 1.949 4.461 . 0 0 "[ . 1]" 1
7 1 6 VAL QG 1 7 ALA H . . 4.807 2.876 2.084 3.541 . 0 0 "[ . 1]" 1
8 1 6 VAL MG1 1 7 ALA H . . 5.698 3.320 2.218 3.753 . 0 0 "[ . 1]" 1
9 1 6 VAL MG2 1 7 ALA H . . 5.698 3.596 2.096 4.342 . 0 0 "[ . 1]" 1
10 1 7 ALA H 1 7 ALA MB . . 3.597 2.439 2.076 2.855 . 0 0 "[ . 1]" 1
11 1 7 ALA HA 1 8 LYS H . . 3.146 2.450 2.142 2.983 . 0 0 "[ . 1]" 1
12 1 7 ALA MB 1 8 LYS H . . 4.213 3.217 2.073 3.706 . 0 0 "[ . 1]" 1
13 1 8 LYS H 1 8 LYS QB . . 3.520 2.699 2.044 3.401 . 0 0 "[ . 1]" 1
14 1 8 LYS H 1 8 LYS QG . . 4.642 3.244 2.460 3.906 . 0 0 "[ . 1]" 1
15 1 8 LYS HA 1 9 LYS H . . 3.454 2.542 2.147 3.554 0.100 5 0 "[ . 1]" 1
16 1 8 LYS QB 1 9 LYS H . . 3.850 2.584 1.987 3.706 . 0 0 "[ . 1]" 1
17 1 8 LYS QG 1 9 LYS H . . 5.269 3.635 2.530 4.092 . 0 0 "[ . 1]" 1
18 1 9 LYS HA 1 10 ILE H . . 3.245 2.819 2.201 2.983 . 0 0 "[ . 1]" 1
19 1 10 ILE H 1 10 ILE HB . . 3.256 2.743 2.552 3.038 . 0 0 "[ . 1]" 1
20 1 10 ILE H 1 10 ILE MD . . 4.620 3.681 2.713 4.570 . 0 0 "[ . 1]" 1
21 1 10 ILE H 1 10 ILE HG12 . . 5.016 3.785 2.116 4.763 . 0 0 "[ . 1]" 1
22 1 10 ILE H 1 10 ILE QG . . 4.081 2.986 2.102 4.091 0.010 5 0 "[ . 1]" 1
23 1 10 ILE H 1 10 ILE HG13 . . 5.016 3.492 2.644 4.456 . 0 0 "[ . 1]" 1
24 1 10 ILE H 1 10 ILE MG . . 4.444 3.694 2.103 3.928 . 0 0 "[ . 1]" 1
25 1 10 ILE HA 1 10 ILE MD . . 3.729 3.161 2.038 3.808 0.079 2 0 "[ . 1]" 1
26 1 10 ILE HA 1 10 ILE QG . . 3.839 2.544 2.349 2.960 . 0 0 "[ . 1]" 1
27 1 10 ILE HA 1 10 ILE MG . . 3.498 2.422 2.290 3.201 . 0 0 "[ . 1]" 1
28 1 10 ILE HA 1 11 THR H . . 3.146 2.157 2.138 2.182 . 0 0 "[ . 1]" 1
29 1 10 ILE HB 1 11 THR H . . 4.961 4.238 4.063 4.413 . 0 0 "[ . 1]" 1
30 1 10 ILE HB 1 12 TRP HD1 . . 5.181 4.379 3.972 4.947 . 0 0 "[ . 1]" 1
31 1 10 ILE HB 1 12 TRP HE1 . . 4.554 3.493 2.959 4.165 . 0 0 "[ . 1]" 1
32 1 10 ILE HB 1 57 ILE MD . . 5.863 5.837 5.637 5.866 0.003 5 0 "[ . 1]" 1
33 1 10 ILE MD 1 10 ILE MG . . 3.630 2.342 1.901 2.996 . 0 0 "[ . 1]" 1
34 1 10 ILE MD 1 11 THR H . . 5.412 4.574 3.535 5.384 . 0 0 "[ . 1]" 1
35 1 10 ILE MD 1 12 TRP HE1 . . 5.852 4.391 3.499 5.549 . 0 0 "[ . 1]" 1
36 1 10 ILE MD 1 12 TRP HZ2 . . 5.973 4.194 3.239 5.461 . 0 0 "[ . 1]" 1
37 1 10 ILE MD 1 47 GLY QA . . 4.631 4.570 4.324 4.634 0.003 9 0 "[ . 1]" 1
38 1 10 ILE MD 1 48 VAL HB . . 6.050 4.987 4.417 5.732 . 0 0 "[ . 1]" 1
39 1 10 ILE QG 1 10 ILE MG . . 3.289 2.180 1.925 2.353 . 0 0 "[ . 1]" 1
40 1 10 ILE QG 1 11 THR H . . 5.874 4.153 2.165 4.709 . 0 0 "[ . 1]" 1
41 1 10 ILE QG 1 12 TRP HE1 . . 5.632 4.696 2.540 5.420 . 0 0 "[ . 1]" 1
42 1 10 ILE QG 1 48 VAL HA . . 5.874 3.774 2.783 4.420 . 0 0 "[ . 1]" 1
43 1 10 ILE QG 1 48 VAL MG2 . . 5.533 4.518 3.251 5.207 . 0 0 "[ . 1]" 1
44 1 10 ILE MG 1 11 THR H . . 3.938 2.832 2.435 3.808 . 0 0 "[ . 1]" 1
45 1 10 ILE MG 1 11 THR HA . . 5.170 3.972 3.616 4.204 . 0 0 "[ . 1]" 1
46 1 10 ILE MG 1 12 TRP HA . . 5.830 3.736 3.443 4.764 . 0 0 "[ . 1]" 1
47 1 10 ILE MG 1 12 TRP HD1 . . 4.301 3.644 2.081 4.218 . 0 0 "[ . 1]" 1
48 1 10 ILE MG 1 12 TRP HE1 . . 3.949 3.216 2.101 3.708 . 0 0 "[ . 1]" 1
49 1 10 ILE MG 1 12 TRP HZ2 . . 4.477 3.640 2.825 4.243 . 0 0 "[ . 1]" 1
50 1 11 THR H 1 11 THR HB . . 4.312 2.656 2.511 2.782 . 0 0 "[ . 1]" 1
51 1 11 THR H 1 11 THR MG . . 4.642 3.814 3.757 3.888 . 0 0 "[ . 1]" 1
52 1 11 THR HA 1 11 THR MG . . 3.454 2.275 2.092 2.370 . 0 0 "[ . 1]" 1
53 1 11 THR HA 1 12 TRP HD1 . . 5.137 4.365 3.377 4.972 . 0 0 "[ . 1]" 1
54 1 11 THR HA 1 13 ARG QG . . 5.159 4.825 4.542 5.076 . 0 0 "[ . 1]" 1
55 1 11 THR HB 1 12 TRP H . . 5.742 4.358 4.234 4.446 . 0 0 "[ . 1]" 1
56 1 11 THR HB 1 13 ARG H . . 6.050 5.038 4.807 5.283 . 0 0 "[ . 1]" 1
57 1 11 THR HB 1 13 ARG QG . . 4.994 3.539 3.181 4.066 . 0 0 "[ . 1]" 1
58 1 11 THR MG 1 12 TRP H . . 4.620 3.197 2.891 3.459 . 0 0 "[ . 1]" 1
59 1 11 THR MG 1 12 TRP HD1 . . 6.050 5.487 4.590 6.044 . 0 0 "[ . 1]" 1
60 1 11 THR MG 1 13 ARG H . . 5.027 4.203 3.734 4.709 . 0 0 "[ . 1]" 1
61 1 11 THR MG 1 13 ARG HA . . 5.126 4.040 3.686 4.312 . 0 0 "[ . 1]" 1
62 1 11 THR MG 1 13 ARG QG . . 3.982 2.510 2.152 3.177 . 0 0 "[ . 1]" 1
63 1 12 TRP H 1 12 TRP HD1 . . 5.962 2.796 2.000 3.566 . 0 0 "[ . 1]" 1
64 1 12 TRP HA 1 12 TRP HE3 . . 4.026 2.869 2.477 3.587 . 0 0 "[ . 1]" 1
65 1 12 TRP HA 1 13 ARG H . . 3.003 2.164 2.148 2.178 . 0 0 "[ . 1]" 1
66 1 12 TRP HA 1 13 ARG QG . . 4.697 4.040 3.741 4.357 . 0 0 "[ . 1]" 1
67 1 12 TRP HA 1 16 ASP QB . . 4.598 3.117 2.788 3.504 . 0 0 "[ . 1]" 1
68 1 12 TRP HB2 1 12 TRP HD1 . . 3.619 2.618 2.554 2.794 . 0 0 "[ . 1]" 1
69 1 12 TRP HB2 1 13 ARG H . . 5.049 4.451 4.331 4.533 . 0 0 "[ . 1]" 1
70 1 12 TRP HB2 1 17 LEU MD1 . . 5.489 4.491 2.809 5.392 . 0 0 "[ . 1]" 1
71 1 12 TRP HB2 1 17 LEU QD . . 4.114 3.407 2.780 4.100 . 0 0 "[ . 1]" 1
72 1 12 TRP HB2 1 17 LEU MD2 . . 5.489 3.906 3.323 5.021 . 0 0 "[ . 1]" 1
73 1 12 TRP HB2 1 17 LEU HG . . 6.050 5.142 4.232 5.724 . 0 0 "[ . 1]" 1
74 1 12 TRP HB2 1 57 ILE MD . . 5.324 5.000 4.366 5.324 . 0 0 "[ . 1]" 1
75 1 12 TRP HB2 1 57 ILE MG . . 5.478 3.678 3.223 4.107 . 0 0 "[ . 1]" 1
76 1 12 TRP HB2 1 61 ARG QB . . 6.050 4.849 4.219 5.339 . 0 0 "[ . 1]" 1
77 1 12 TRP HB3 1 12 TRP HE3 . . 4.158 2.700 2.448 2.870 . 0 0 "[ . 1]" 1
78 1 12 TRP HB3 1 13 ARG H . . 6.050 3.750 3.644 3.829 . 0 0 "[ . 1]" 1
79 1 12 TRP HB3 1 17 LEU QD . . 4.147 2.264 1.913 2.961 . 0 0 "[ . 1]" 1
80 1 12 TRP HB3 1 17 LEU HG . . 5.500 3.677 2.600 4.400 . 0 0 "[ . 1]" 1
81 1 12 TRP HB3 1 61 ARG QB . . 6.050 4.197 3.850 4.418 . 0 0 "[ . 1]" 1
82 1 12 TRP HD1 1 53 VAL QG . . 6.050 5.339 4.810 5.931 . 0 0 "[ . 1]" 1
83 1 12 TRP HD1 1 57 ILE HB . . 6.050 5.540 5.128 5.986 . 0 0 "[ . 1]" 1
84 1 12 TRP HD1 1 57 ILE MD . . 3.982 3.518 3.155 3.837 . 0 0 "[ . 1]" 1
85 1 12 TRP HD1 1 57 ILE HG13 . . 4.763 4.277 3.923 4.760 . 0 0 "[ . 1]" 1
86 1 12 TRP HD1 1 57 ILE MG . . 4.950 2.957 2.684 3.242 . 0 0 "[ . 1]" 1
87 1 12 TRP HD1 1 61 ARG QG . . 5.588 4.379 3.945 4.724 . 0 0 "[ . 1]" 1
88 1 12 TRP HE1 1 48 VAL MG1 . . 6.050 4.754 4.187 5.131 . 0 0 "[ . 1]" 1
89 1 12 TRP HE1 1 49 VAL QG . . 4.796 3.857 3.362 4.307 . 0 0 "[ . 1]" 1
90 1 12 TRP HE1 1 53 VAL QG . . 4.400 3.791 3.207 4.392 . 0 0 "[ . 1]" 1
91 1 12 TRP HE1 1 57 ILE HB . . 5.731 4.388 3.823 4.827 . 0 0 "[ . 1]" 1
92 1 12 TRP HE1 1 57 ILE MD . . 4.136 3.478 3.107 3.777 . 0 0 "[ . 1]" 1
93 1 12 TRP HE1 1 57 ILE HG12 . . 5.302 4.602 4.301 4.844 . 0 0 "[ . 1]" 1
94 1 12 TRP HE1 1 57 ILE HG13 . . 4.444 2.873 2.606 3.098 . 0 0 "[ . 1]" 1
95 1 12 TRP HE3 1 13 ARG H . . 5.115 4.041 3.427 4.873 . 0 0 "[ . 1]" 1
96 1 12 TRP HE3 1 16 ASP HA . . 5.841 5.337 4.920 5.841 . 0 0 "[ . 1]" 1
97 1 12 TRP HE3 1 16 ASP HB2 . . 4.290 3.843 3.018 4.290 0.000 1 0 "[ . 1]" 1
98 1 12 TRP HE3 1 16 ASP QB . . 3.619 2.771 2.440 3.281 . 0 0 "[ . 1]" 1
99 1 12 TRP HE3 1 16 ASP HB3 . . 4.290 2.864 2.574 3.477 . 0 0 "[ . 1]" 1
100 1 12 TRP HE3 1 17 LEU HA . . 4.675 3.829 3.530 4.041 . 0 0 "[ . 1]" 1
101 1 12 TRP HE3 1 17 LEU QD . . 3.630 2.560 1.913 3.516 . 0 0 "[ . 1]" 1
102 1 12 TRP HE3 1 17 LEU HG . . 5.093 4.063 2.706 4.867 . 0 0 "[ . 1]" 1
103 1 12 TRP HE3 1 57 ILE MG . . 5.368 4.319 3.558 4.752 . 0 0 "[ . 1]" 1
104 1 12 TRP HH2 1 20 LEU MD1 . . 6.050 3.645 1.956 4.798 . 0 0 "[ . 1]" 1
105 1 12 TRP HH2 1 20 LEU QD . . 4.444 3.138 1.953 4.030 . 0 0 "[ . 1]" 1
106 1 12 TRP HH2 1 20 LEU MD2 . . 6.050 3.694 2.873 4.332 . 0 0 "[ . 1]" 1
107 1 12 TRP HH2 1 43 LEU QD . . 4.191 2.768 1.967 3.882 . 0 0 "[ . 1]" 1
108 1 12 TRP HH2 1 43 LEU HG . . 6.050 4.773 3.079 5.965 . 0 0 "[ . 1]" 1
109 1 12 TRP HH2 1 48 VAL MG1 . . 3.586 2.416 2.025 2.987 . 0 0 "[ . 1]" 1
110 1 12 TRP HH2 1 48 VAL MG2 . . 4.103 2.955 2.483 3.505 . 0 0 "[ . 1]" 1
111 1 12 TRP HH2 1 49 VAL H . . 5.808 5.438 5.085 5.810 0.002 9 0 "[ . 1]" 1
112 1 12 TRP HH2 1 54 VAL MG1 . . 4.521 3.158 2.690 3.816 . 0 0 "[ . 1]" 1
113 1 12 TRP HH2 1 54 VAL MG2 . . 4.675 2.926 2.344 3.258 . 0 0 "[ . 1]" 1
114 1 12 TRP HH2 1 57 ILE MG . . 6.050 4.907 4.387 5.283 . 0 0 "[ . 1]" 1
115 1 12 TRP HZ2 1 48 VAL MG1 . . 3.641 2.671 2.280 3.003 . 0 0 "[ . 1]" 1
116 1 12 TRP HZ2 1 48 VAL MG2 . . 4.741 4.011 3.761 4.590 . 0 0 "[ . 1]" 1
117 1 12 TRP HZ2 1 49 VAL QG . . 4.378 3.355 2.881 3.796 . 0 0 "[ . 1]" 1
118 1 12 TRP HZ2 1 53 VAL QG . . 4.972 4.398 3.781 4.846 . 0 0 "[ . 1]" 1
119 1 12 TRP HZ2 1 54 VAL HA . . 4.653 3.753 3.352 4.283 . 0 0 "[ . 1]" 1
120 1 12 TRP HZ2 1 54 VAL MG2 . . 3.597 2.521 2.013 3.152 . 0 0 "[ . 1]" 1
121 1 12 TRP HZ2 1 57 ILE HG12 . . 6.050 5.471 4.950 5.828 . 0 0 "[ . 1]" 1
122 1 12 TRP HZ2 1 57 ILE MG . . 5.049 3.899 3.403 4.149 . 0 0 "[ . 1]" 1
123 1 12 TRP HZ3 1 16 ASP QB . . 4.631 3.652 2.857 4.323 . 0 0 "[ . 1]" 1
124 1 12 TRP HZ3 1 17 LEU HA . . 5.324 4.163 3.483 5.150 . 0 0 "[ . 1]" 1
125 1 12 TRP HZ3 1 17 LEU QD . . 4.587 3.669 3.033 4.588 0.001 9 0 "[ . 1]" 1
126 1 12 TRP HZ3 1 20 LEU HB2 . . 4.928 3.373 2.812 3.895 . 0 0 "[ . 1]" 1
127 1 12 TRP HZ3 1 20 LEU QD . . 4.026 2.786 2.070 3.823 . 0 0 "[ . 1]" 1
128 1 12 TRP HZ3 1 43 LEU MD1 . . 4.356 2.589 1.928 3.551 . 0 0 "[ . 1]" 1
129 1 12 TRP HZ3 1 43 LEU QD . . 3.487 2.485 1.917 3.196 . 0 0 "[ . 1]" 1
130 1 12 TRP HZ3 1 43 LEU MD2 . . 4.356 3.518 2.516 4.353 . 0 0 "[ . 1]" 1
131 1 12 TRP HZ3 1 43 LEU HG . . 6.050 4.242 2.328 5.491 . 0 0 "[ . 1]" 1
132 1 12 TRP HZ3 1 57 ILE MG . . 6.017 5.035 4.299 5.512 . 0 0 "[ . 1]" 1
133 1 13 ARG H 1 13 ARG HB2 . . 3.124 2.466 2.308 2.597 . 0 0 "[ . 1]" 1
134 1 13 ARG H 1 13 ARG HB3 . . 4.246 3.643 3.573 3.708 . 0 0 "[ . 1]" 1
135 1 13 ARG H 1 16 ASP H . . 4.257 3.618 3.394 3.870 . 0 0 "[ . 1]" 1
136 1 13 ARG H 1 16 ASP HB2 . . 4.279 2.298 1.953 2.670 . 0 0 "[ . 1]" 1
137 1 13 ARG H 1 16 ASP QB . . 3.498 2.221 1.938 2.628 . 0 0 "[ . 1]" 1
138 1 13 ARG H 1 16 ASP HB3 . . 4.279 3.249 2.211 3.919 . 0 0 "[ . 1]" 1
139 1 13 ARG H 1 17 LEU H . . 5.632 4.232 3.877 4.588 . 0 0 "[ . 1]" 1
140 1 13 ARG H 1 17 LEU QD . . 5.577 3.855 3.264 4.783 . 0 0 "[ . 1]" 1
141 1 13 ARG HA 1 13 ARG HD2 . . 5.379 4.500 3.107 4.936 . 0 0 "[ . 1]" 1
142 1 13 ARG HA 1 13 ARG HD3 . . 5.379 4.435 4.051 4.757 . 0 0 "[ . 1]" 1
143 1 13 ARG HA 1 13 ARG QG . . 3.872 2.428 2.353 2.548 . 0 0 "[ . 1]" 1
144 1 13 ARG HB2 1 15 GLN QG . . 5.236 4.503 2.644 5.195 . 0 0 "[ . 1]" 1
145 1 13 ARG HB2 1 16 ASP H . . 3.817 2.668 2.404 3.148 . 0 0 "[ . 1]" 1
146 1 13 ARG HB3 1 16 ASP H . . 5.060 3.642 3.112 4.296 . 0 0 "[ . 1]" 1
147 1 14 LYS HA 1 16 ASP H . . 5.137 4.497 4.125 4.907 . 0 0 "[ . 1]" 1
148 1 14 LYS HA 1 17 LEU QB . . 3.828 2.874 2.181 3.451 . 0 0 "[ . 1]" 1
149 1 14 LYS HA 1 17 LEU QD . . 4.070 3.203 2.568 3.839 . 0 0 "[ . 1]" 1
150 1 14 LYS HA 1 18 ASP H . . 4.994 4.440 3.877 4.995 0.001 7 0 "[ . 1]" 1
151 1 14 LYS QB 1 15 GLN H . . 4.268 3.024 2.206 3.529 . 0 0 "[ . 1]" 1
152 1 14 LYS QE 1 15 GLN HA . . 6.050 5.129 3.778 5.673 . 0 0 "[ . 1]" 1
153 1 14 LYS HG2 1 15 GLN HA . . 6.050 4.500 3.808 5.842 . 0 0 "[ . 1]" 1
154 1 14 LYS HG3 1 15 GLN HA . . 6.050 4.368 3.456 5.482 . 0 0 "[ . 1]" 1
155 1 15 GLN H 1 15 GLN QB . . 3.674 2.390 2.119 2.654 . 0 0 "[ . 1]" 1
156 1 15 GLN H 1 15 GLN QG . . 4.477 3.246 2.111 4.032 . 0 0 "[ . 1]" 1
157 1 15 GLN H 1 16 ASP H . . 4.048 2.590 2.456 2.854 . 0 0 "[ . 1]" 1
158 1 15 GLN HA 1 15 GLN QE . . 4.939 4.007 2.589 4.932 . 0 0 "[ . 1]" 1
159 1 15 GLN HA 1 15 GLN QG . . 3.927 2.618 2.346 3.338 . 0 0 "[ . 1]" 1
160 1 15 GLN HA 1 16 ASP H . . 3.916 3.527 3.474 3.569 . 0 0 "[ . 1]" 1
161 1 15 GLN HA 1 18 ASP H . . 4.323 3.471 3.050 3.808 . 0 0 "[ . 1]" 1
162 1 15 GLN HA 1 18 ASP HB2 . . 4.026 2.871 2.275 3.563 . 0 0 "[ . 1]" 1
163 1 15 GLN HA 1 18 ASP HB3 . . 4.026 3.514 2.810 4.022 . 0 0 "[ . 1]" 1
164 1 15 GLN QB 1 15 GLN QE . . 3.641 3.125 2.100 3.579 . 0 0 "[ . 1]" 1
165 1 15 GLN QB 1 16 ASP H . . 4.015 2.645 2.150 3.534 . 0 0 "[ . 1]" 1
166 1 15 GLN QB 1 18 ASP HB2 . . 6.050 4.697 3.856 5.515 . 0 0 "[ . 1]" 1
167 1 15 GLN QB 1 18 ASP HB3 . . 6.050 4.890 3.790 5.696 . 0 0 "[ . 1]" 1
168 1 15 GLN QG 1 16 ASP H . . 4.246 3.500 2.108 3.831 . 0 0 "[ . 1]" 1
169 1 15 GLN QG 1 16 ASP HA . . 5.478 4.322 3.525 5.530 0.052 4 0 "[ . 1]" 1
170 1 16 ASP H 1 16 ASP HB2 . . 4.114 2.229 2.106 2.397 . 0 0 "[ . 1]" 1
171 1 16 ASP H 1 16 ASP QB . . 3.399 2.193 2.087 2.363 . 0 0 "[ . 1]" 1
172 1 16 ASP H 1 16 ASP HB3 . . 4.114 3.360 2.772 3.579 . 0 0 "[ . 1]" 1
173 1 16 ASP H 1 17 LEU H . . 3.355 2.680 2.401 2.946 . 0 0 "[ . 1]" 1
174 1 16 ASP H 1 18 ASP H . . 4.631 4.091 3.875 4.478 . 0 0 "[ . 1]" 1
175 1 16 ASP HA 1 19 ARG H . . 4.609 3.738 3.504 4.095 . 0 0 "[ . 1]" 1
176 1 16 ASP HA 1 19 ARG QB . . 4.125 3.434 2.922 4.001 . 0 0 "[ . 1]" 1
177 1 16 ASP HA 1 43 LEU QD . . 5.049 4.153 3.613 4.790 . 0 0 "[ . 1]" 1
178 1 16 ASP QB 1 17 LEU H . . 3.993 2.667 2.233 2.929 . 0 0 "[ . 1]" 1
179 1 16 ASP QB 1 43 LEU QD . . 4.950 3.736 2.874 4.466 . 0 0 "[ . 1]" 1
180 1 16 ASP HB2 1 17 LEU H . . 4.752 3.028 2.549 3.579 . 0 0 "[ . 1]" 1
181 1 16 ASP HB3 1 17 LEU H . . 4.752 3.185 2.256 3.593 . 0 0 "[ . 1]" 1
182 1 17 LEU H 1 17 LEU QB . . 3.707 2.168 2.065 2.365 . 0 0 "[ . 1]" 1
183 1 17 LEU H 1 17 LEU MD1 . . 4.994 3.583 2.316 4.073 . 0 0 "[ . 1]" 1
184 1 17 LEU H 1 17 LEU QD . . 4.059 2.725 2.266 3.284 . 0 0 "[ . 1]" 1
185 1 17 LEU H 1 17 LEU MD2 . . 4.994 3.199 2.280 4.026 . 0 0 "[ . 1]" 1
186 1 17 LEU H 1 17 LEU HG . . 4.741 3.552 2.581 4.247 . 0 0 "[ . 1]" 1
187 1 17 LEU H 1 18 ASP H . . 3.234 2.600 2.368 2.753 . 0 0 "[ . 1]" 1
188 1 17 LEU HA 1 17 LEU QD . . 3.256 2.081 1.866 2.400 . 0 0 "[ . 1]" 1
189 1 17 LEU HA 1 17 LEU HG . . 4.444 3.163 2.515 3.686 . 0 0 "[ . 1]" 1
190 1 17 LEU HA 1 20 LEU H . . 4.202 3.271 3.088 3.540 . 0 0 "[ . 1]" 1
191 1 17 LEU HA 1 20 LEU HB2 . . 4.202 3.419 2.572 4.203 0.001 3 0 "[ . 1]" 1
192 1 17 LEU HA 1 20 LEU HB3 . . 3.872 2.724 2.251 3.670 . 0 0 "[ . 1]" 1
193 1 17 LEU HA 1 20 LEU MD1 . . 6.050 4.823 3.017 5.555 . 0 0 "[ . 1]" 1
194 1 17 LEU HA 1 20 LEU QD . . 4.609 3.278 2.918 3.816 . 0 0 "[ . 1]" 1
195 1 17 LEU HA 1 20 LEU MD2 . . 6.050 3.518 2.960 4.969 . 0 0 "[ . 1]" 1
196 1 17 LEU HA 1 21 LYS H . . 4.532 4.071 3.655 4.472 . 0 0 "[ . 1]" 1
197 1 17 LEU HA 1 62 LEU MD1 . . 5.181 4.047 3.654 4.478 . 0 0 "[ . 1]" 1
198 1 17 LEU HA 1 62 LEU MD2 . . 5.566 4.817 2.582 5.511 . 0 0 "[ . 1]" 1
199 1 17 LEU QB 1 18 ASP H . . 3.377 2.755 2.502 2.939 . 0 0 "[ . 1]" 1
200 1 17 LEU QB 1 18 ASP HA . . 5.401 3.836 3.711 3.923 . 0 0 "[ . 1]" 1
201 1 17 LEU QB 1 18 ASP QB . . 5.236 4.124 3.903 4.270 . 0 0 "[ . 1]" 1
202 1 17 LEU QB 1 62 LEU MD2 . . 4.532 3.435 2.820 3.794 . 0 0 "[ . 1]" 1
203 1 17 LEU HB2 1 18 ASP H . . 4.323 2.929 2.580 3.197 . 0 0 "[ . 1]" 1
204 1 17 LEU HB3 1 18 ASP H . . 4.323 3.402 2.922 3.857 . 0 0 "[ . 1]" 1
205 1 17 LEU QD 1 18 ASP H . . 5.720 4.023 3.911 4.176 . 0 0 "[ . 1]" 1
206 1 17 LEU QD 1 20 LEU HB3 . . 4.840 3.067 2.438 4.191 . 0 0 "[ . 1]" 1
207 1 17 LEU QD 1 57 ILE MG . . 3.817 3.066 2.787 3.317 . 0 0 "[ . 1]" 1
208 1 17 LEU QD 1 61 ARG H . . 5.896 4.358 4.059 4.754 . 0 0 "[ . 1]" 1
209 1 17 LEU QD 1 61 ARG QB . . 3.520 1.973 1.677 2.492 . 0 0 "[ . 1]" 1
210 1 17 LEU QD 1 61 ARG QD . . 4.422 2.909 1.904 3.645 . 0 0 "[ . 1]" 1
211 1 17 LEU QD 1 61 ARG QG . . 3.960 2.788 2.516 3.141 . 0 0 "[ . 1]" 1
212 1 17 LEU QD 1 62 LEU H . . 5.225 3.454 3.182 4.332 . 0 0 "[ . 1]" 1
213 1 17 LEU QD 1 62 LEU HG . . 4.565 2.405 1.952 4.214 . 0 0 "[ . 1]" 1
214 1 17 LEU MD1 1 61 ARG QB . . 4.191 2.195 1.889 2.651 . 0 0 "[ . 1]" 1
215 1 17 LEU MD1 1 61 ARG HD2 . . 6.974 3.559 2.345 4.835 . 0 0 "[ . 1]" 1
216 1 17 LEU MD1 1 61 ARG HD3 . . 6.974 4.668 3.865 5.755 . 0 0 "[ . 1]" 1
217 1 17 LEU MD2 1 61 ARG QB . . 4.191 2.413 1.831 3.101 . 0 0 "[ . 1]" 1
218 1 17 LEU MD2 1 61 ARG HD2 . . 6.974 3.554 1.977 4.358 . 0 0 "[ . 1]" 1
219 1 17 LEU MD2 1 61 ARG HD3 . . 6.974 4.672 3.275 5.301 . 0 0 "[ . 1]" 1
220 1 17 LEU HG 1 62 LEU HG . . 5.104 4.279 3.236 5.105 0.001 3 0 "[ . 1]" 1
221 1 18 ASP H 1 18 ASP HB2 . . 3.564 2.224 2.109 2.406 . 0 0 "[ . 1]" 1
222 1 18 ASP H 1 18 ASP QB . . 2.937 2.147 2.076 2.237 . 0 0 "[ . 1]" 1
223 1 18 ASP H 1 18 ASP HB3 . . 3.564 2.906 2.658 3.098 . 0 0 "[ . 1]" 1
224 1 18 ASP H 1 19 ARG H . . 3.729 2.766 2.683 2.840 . 0 0 "[ . 1]" 1
225 1 18 ASP H 1 62 LEU MD2 . . 6.050 5.499 4.593 5.994 . 0 0 "[ . 1]" 1
226 1 18 ASP HA 1 21 LYS H . . 4.565 3.809 3.362 4.025 . 0 0 "[ . 1]" 1
227 1 18 ASP HA 1 21 LYS QB . . 3.586 3.105 2.415 3.589 0.003 2 0 "[ . 1]" 1
228 1 18 ASP HA 1 21 LYS QD . . 4.928 3.802 2.385 4.498 . 0 0 "[ . 1]" 1
229 1 18 ASP HA 1 21 LYS QG . . 5.874 4.644 2.006 5.297 . 0 0 "[ . 1]" 1
230 1 18 ASP HA 1 22 ARG H . . 5.841 4.697 4.121 5.174 . 0 0 "[ . 1]" 1
231 1 18 ASP HA 1 62 LEU MD2 . . 6.050 4.369 3.950 4.888 . 0 0 "[ . 1]" 1
232 1 18 ASP QB 1 19 ARG H . . 3.454 2.662 2.355 2.927 . 0 0 "[ . 1]" 1
233 1 18 ASP HB2 1 19 ARG H . . 4.422 3.661 3.392 3.889 . 0 0 "[ . 1]" 1
234 1 18 ASP HB3 1 19 ARG H . . 4.422 2.742 2.402 3.082 . 0 0 "[ . 1]" 1
235 1 19 ARG H 1 19 ARG QB . . 3.036 2.220 2.099 2.284 . 0 0 "[ . 1]" 1
236 1 19 ARG H 1 19 ARG QD . . 5.071 4.404 3.952 4.728 . 0 0 "[ . 1]" 1
237 1 19 ARG H 1 19 ARG HG2 . . 5.104 4.540 4.371 4.653 . 0 0 "[ . 1]" 1
238 1 19 ARG H 1 19 ARG HG3 . . 5.104 4.333 4.027 4.539 . 0 0 "[ . 1]" 1
239 1 19 ARG H 1 20 LEU H . . 3.608 2.581 2.441 2.698 . 0 0 "[ . 1]" 1
240 1 19 ARG H 1 43 LEU QD . . 5.269 4.712 4.194 5.052 . 0 0 "[ . 1]" 1
241 1 19 ARG HA 1 19 ARG QD . . 4.664 3.679 2.006 4.256 . 0 0 "[ . 1]" 1
242 1 19 ARG HA 1 22 ARG QB . . 5.654 2.929 2.525 4.372 . 0 0 "[ . 1]" 1
243 1 19 ARG HA 1 23 VAL MG2 . . 4.851 4.344 4.136 4.830 . 0 0 "[ . 1]" 1
244 1 19 ARG QB 1 20 LEU H . . 3.861 2.461 2.278 2.594 . 0 0 "[ . 1]" 1
245 1 19 ARG QB 1 43 LEU QD . . 3.817 3.120 2.383 3.649 . 0 0 "[ . 1]" 1
246 1 19 ARG QD 1 23 VAL MG2 . . 5.269 4.416 3.575 5.252 . 0 0 "[ . 1]" 1
247 1 19 ARG QD 1 43 LEU HA . . 5.511 4.502 3.518 5.262 . 0 0 "[ . 1]" 1
248 1 19 ARG QD 1 43 LEU QD . . 4.774 3.441 2.114 4.442 . 0 0 "[ . 1]" 1
249 1 19 ARG QG 1 23 VAL MG2 . . 4.114 3.264 2.812 3.825 . 0 0 "[ . 1]" 1
250 1 19 ARG QG 1 43 LEU QD . . 5.302 3.505 2.864 4.596 . 0 0 "[ . 1]" 1
251 1 19 ARG HG2 1 23 VAL MG2 . . 4.972 3.591 2.911 4.969 . 0 0 "[ . 1]" 1
252 1 19 ARG HG3 1 23 VAL MG2 . . 4.972 4.130 3.516 4.929 . 0 0 "[ . 1]" 1
253 1 20 LEU H 1 20 LEU HB2 . . 3.861 2.513 2.053 2.822 . 0 0 "[ . 1]" 1
254 1 20 LEU H 1 20 LEU HB3 . . 4.169 2.534 2.299 3.162 . 0 0 "[ . 1]" 1
255 1 20 LEU H 1 20 LEU HG . . 5.093 4.375 3.830 4.509 . 0 0 "[ . 1]" 1
256 1 20 LEU H 1 43 LEU MD1 . . 5.148 3.864 3.116 5.144 . 0 0 "[ . 1]" 1
257 1 20 LEU H 1 43 LEU QD . . 3.553 3.240 2.594 3.554 0.001 4 0 "[ . 1]" 1
258 1 20 LEU H 1 43 LEU MD2 . . 5.148 4.241 2.621 5.150 0.002 2 0 "[ . 1]" 1
259 1 20 LEU H 1 43 LEU HG . . 6.050 4.688 4.050 5.457 . 0 0 "[ . 1]" 1
260 1 20 LEU HA 1 20 LEU QD . . 3.509 2.160 1.968 2.636 . 0 0 "[ . 1]" 1
261 1 20 LEU HA 1 23 VAL H . . 4.257 3.467 3.238 3.737 . 0 0 "[ . 1]" 1
262 1 20 LEU HA 1 23 VAL HB . . 3.751 3.218 2.957 3.753 0.002 7 0 "[ . 1]" 1
263 1 20 LEU HA 1 23 VAL MG2 . . 3.982 2.539 2.006 3.510 . 0 0 "[ . 1]" 1
264 1 20 LEU HA 1 24 ILE H . . 5.170 4.369 4.217 4.496 . 0 0 "[ . 1]" 1
265 1 20 LEU HA 1 39 VAL MG1 . . 6.006 3.932 3.643 4.186 . 0 0 "[ . 1]" 1
266 1 20 LEU HA 1 43 LEU HB2 . . 5.159 4.529 4.115 4.947 . 0 0 "[ . 1]" 1
267 1 20 LEU HA 1 43 LEU QD . . 3.564 2.824 1.924 3.338 . 0 0 "[ . 1]" 1
268 1 20 LEU HB2 1 21 LYS H . . 4.312 3.888 3.298 4.173 . 0 0 "[ . 1]" 1
269 1 20 LEU HB2 1 43 LEU QD . . 3.740 2.186 1.890 2.903 . 0 0 "[ . 1]" 1
270 1 20 LEU HB3 1 21 LYS H . . 3.740 2.688 2.239 3.001 . 0 0 "[ . 1]" 1
271 1 20 LEU HB3 1 24 ILE MD . . 4.587 3.905 2.772 4.536 . 0 0 "[ . 1]" 1
272 1 20 LEU HB3 1 43 LEU QD . . 5.214 3.552 3.225 4.010 . 0 0 "[ . 1]" 1
273 1 20 LEU HB3 1 62 LEU MD1 . . 4.169 2.808 1.940 3.439 . 0 0 "[ . 1]" 1
274 1 20 LEU QD 1 21 LYS H . . 4.444 3.879 3.657 4.105 . 0 0 "[ . 1]" 1
275 1 20 LEU QD 1 21 LYS HA . . 5.170 4.132 3.903 4.400 . 0 0 "[ . 1]" 1
276 1 20 LEU QD 1 24 ILE H . . 5.115 3.950 3.499 4.492 . 0 0 "[ . 1]" 1
277 1 20 LEU QD 1 36 TRP HE3 . . 5.181 3.698 3.277 4.129 . 0 0 "[ . 1]" 1
278 1 20 LEU QD 1 36 TRP HH2 . . 4.477 3.317 2.893 4.124 . 0 0 "[ . 1]" 1
279 1 20 LEU QD 1 36 TRP HZ3 . . 3.509 2.232 1.911 2.936 . 0 0 "[ . 1]" 1
280 1 20 LEU QD 1 54 VAL HA . . 5.533 4.306 3.817 4.927 . 0 0 "[ . 1]" 1
281 1 20 LEU QD 1 54 VAL HB . . 5.984 4.389 3.987 4.871 . 0 0 "[ . 1]" 1
282 1 20 LEU QD 1 57 ILE MG . . 3.982 3.837 3.233 3.983 0.001 3 0 "[ . 1]" 1
283 1 20 LEU QD 1 58 ALA H . . 5.115 4.130 3.695 4.505 . 0 0 "[ . 1]" 1
284 1 20 LEU QD 1 58 ALA HA . . 4.983 3.182 2.545 3.580 . 0 0 "[ . 1]" 1
285 1 20 LEU MD1 1 21 LYS H . . 5.236 4.540 4.346 4.862 . 0 0 "[ . 1]" 1
286 1 20 LEU MD1 1 36 TRP HZ3 . . 4.961 2.509 1.974 3.466 . 0 0 "[ . 1]" 1
287 1 20 LEU MD1 1 54 VAL MG1 . . 3.652 2.593 2.129 3.200 . 0 0 "[ . 1]" 1
288 1 20 LEU MD2 1 21 LYS H . . 5.236 4.226 3.918 4.583 . 0 0 "[ . 1]" 1
289 1 20 LEU MD2 1 36 TRP HZ3 . . 4.961 3.036 1.920 3.591 . 0 0 "[ . 1]" 1
290 1 20 LEU MD2 1 54 VAL MG1 . . 3.652 2.452 1.944 2.829 . 0 0 "[ . 1]" 1
291 1 20 LEU HG 1 23 VAL HB . . 5.126 4.346 3.689 4.780 . 0 0 "[ . 1]" 1
292 1 20 LEU HG 1 24 ILE MD . . 4.213 2.408 1.954 4.215 0.002 5 0 "[ . 1]" 1
293 1 21 LYS H 1 21 LYS HB2 . . 3.608 2.490 2.232 3.578 . 0 0 "[ . 1]" 1
294 1 21 LYS H 1 21 LYS QB . . 3.102 2.232 2.157 2.377 . 0 0 "[ . 1]" 1
295 1 21 LYS H 1 21 LYS HB3 . . 3.608 2.670 2.413 2.858 . 0 0 "[ . 1]" 1
296 1 21 LYS H 1 22 ARG H . . 3.586 2.708 2.503 2.840 . 0 0 "[ . 1]" 1
297 1 21 LYS H 1 62 LEU MD1 . . 3.883 2.797 2.464 3.211 . 0 0 "[ . 1]" 1
298 1 21 LYS H 1 62 LEU MD2 . . 5.522 3.886 3.148 4.592 . 0 0 "[ . 1]" 1
299 1 21 LYS HA 1 21 LYS QG . . 3.850 2.449 2.173 3.338 . 0 0 "[ . 1]" 1
300 1 21 LYS HA 1 24 ILE H . . 4.642 3.352 3.132 3.782 . 0 0 "[ . 1]" 1
301 1 21 LYS HA 1 24 ILE HB . . 3.971 2.882 2.255 3.400 . 0 0 "[ . 1]" 1
302 1 21 LYS HA 1 24 ILE MD . . 3.817 2.622 2.140 3.191 . 0 0 "[ . 1]" 1
303 1 21 LYS HA 1 24 ILE HG13 . . 5.225 3.356 2.758 3.618 . 0 0 "[ . 1]" 1
304 1 21 LYS HA 1 25 ALA H . . 5.291 4.355 4.049 4.826 . 0 0 "[ . 1]" 1
305 1 21 LYS HA 1 62 LEU MD1 . . 3.883 2.171 1.974 2.498 . 0 0 "[ . 1]" 1
306 1 21 LYS HA 1 62 LEU MD2 . . 5.621 3.337 2.803 3.861 . 0 0 "[ . 1]" 1
307 1 21 LYS QB 1 62 LEU MD1 . . 4.983 2.386 1.902 3.019 . 0 0 "[ . 1]" 1
308 1 21 LYS QB 1 62 LEU MD2 . . 3.817 2.155 1.866 2.990 . 0 0 "[ . 1]" 1
309 1 21 LYS QD 1 62 LEU MD1 . . 4.455 3.946 3.232 4.457 0.002 8 0 "[ . 1]" 1
310 1 21 LYS QD 1 62 LEU MD2 . . 3.663 2.702 1.994 3.530 . 0 0 "[ . 1]" 1
311 1 21 LYS QE 1 62 LEU HB3 . . 5.841 5.029 4.128 5.840 . 0 0 "[ . 1]" 1
312 1 21 LYS QE 1 62 LEU MD2 . . 4.345 2.762 1.883 4.344 . 0 0 "[ . 1]" 1
313 1 21 LYS QG 1 62 LEU MD2 . . 4.411 2.307 1.845 3.617 . 0 0 "[ . 1]" 1
314 1 22 ARG H 1 22 ARG QB . . 2.981 2.131 2.040 2.491 . 0 0 "[ . 1]" 1
315 1 22 ARG H 1 22 ARG QD . . 5.148 3.888 2.135 4.745 . 0 0 "[ . 1]" 1
316 1 22 ARG H 1 22 ARG HG2 . . 4.499 4.126 2.689 4.482 . 0 0 "[ . 1]" 1
317 1 22 ARG H 1 22 ARG QG . . 3.905 3.487 2.329 3.905 0.000 2 0 "[ . 1]" 1
318 1 22 ARG H 1 22 ARG HG3 . . 4.499 3.791 2.551 4.299 . 0 0 "[ . 1]" 1
319 1 22 ARG H 1 23 VAL H . . 3.498 2.633 2.376 2.737 . 0 0 "[ . 1]" 1
320 1 22 ARG H 1 23 VAL MG2 . . 4.433 3.847 3.626 4.160 . 0 0 "[ . 1]" 1
321 1 22 ARG HA 1 22 ARG QD . . 4.884 3.565 2.542 4.178 . 0 0 "[ . 1]" 1
322 1 22 ARG HA 1 22 ARG QG . . 3.509 2.324 2.155 3.350 . 0 0 "[ . 1]" 1
323 1 22 ARG HA 1 24 ILE H . . 4.884 4.682 4.470 4.865 . 0 0 "[ . 1]" 1
324 1 22 ARG HA 1 25 ALA MB . . 3.630 2.987 2.695 3.427 . 0 0 "[ . 1]" 1
325 1 22 ARG QB 1 23 VAL H . . 4.378 2.980 2.661 3.586 . 0 0 "[ . 1]" 1
326 1 22 ARG QB 1 23 VAL MG2 . . 5.236 3.189 2.748 3.898 . 0 0 "[ . 1]" 1
327 1 23 VAL H 1 23 VAL HB . . 3.641 2.610 2.542 2.637 . 0 0 "[ . 1]" 1
328 1 23 VAL H 1 23 VAL MG1 . . 4.488 3.787 3.768 3.795 . 0 0 "[ . 1]" 1
329 1 23 VAL H 1 23 VAL MG2 . . 3.036 2.131 2.046 2.298 . 0 0 "[ . 1]" 1
330 1 23 VAL H 1 24 ILE H . . 3.883 2.483 2.363 2.664 . 0 0 "[ . 1]" 1
331 1 23 VAL H 1 24 ILE HG12 . . 6.050 5.645 5.356 5.835 . 0 0 "[ . 1]" 1
332 1 23 VAL H 1 25 ALA MB . . 5.434 4.676 4.499 4.916 . 0 0 "[ . 1]" 1
333 1 23 VAL H 1 39 VAL MG1 . . 6.050 4.335 3.910 4.612 . 0 0 "[ . 1]" 1
334 1 23 VAL HA 1 23 VAL MG1 . . 3.575 2.305 2.231 2.380 . 0 0 "[ . 1]" 1
335 1 23 VAL HA 1 23 VAL MG2 . . 3.355 2.434 2.382 2.476 . 0 0 "[ . 1]" 1
336 1 23 VAL HA 1 25 ALA MB . . 5.698 4.785 4.661 4.963 . 0 0 "[ . 1]" 1
337 1 23 VAL HA 1 26 LEU H . . 4.004 3.264 3.054 3.359 . 0 0 "[ . 1]" 1
338 1 23 VAL HA 1 26 LEU QB . . 3.806 2.742 2.396 3.089 . 0 0 "[ . 1]" 1
339 1 23 VAL HA 1 26 LEU MD1 . . 5.302 4.127 2.928 5.299 . 0 0 "[ . 1]" 1
340 1 23 VAL HA 1 26 LEU QD . . 4.543 3.543 2.910 4.000 . 0 0 "[ . 1]" 1
341 1 23 VAL HA 1 26 LEU MD2 . . 5.302 4.313 3.668 5.029 . 0 0 "[ . 1]" 1
342 1 23 VAL HA 1 27 LYS H . . 5.060 3.787 3.655 4.149 . 0 0 "[ . 1]" 1
343 1 23 VAL HA 1 27 LYS QB . . 5.808 4.704 4.282 5.121 . 0 0 "[ . 1]" 1
344 1 23 VAL HB 1 24 ILE H . . 3.762 2.506 2.374 2.724 . 0 0 "[ . 1]" 1
345 1 23 VAL HB 1 25 ALA H . . 5.742 4.769 4.671 4.928 . 0 0 "[ . 1]" 1
346 1 23 VAL HB 1 42 LEU QD . . 5.984 4.537 3.822 5.372 . 0 0 "[ . 1]" 1
347 1 23 VAL MG1 1 24 ILE H . . 4.939 3.541 3.446 3.705 . 0 0 "[ . 1]" 1
348 1 23 VAL MG1 1 25 ALA H . . 5.467 4.782 4.676 4.940 . 0 0 "[ . 1]" 1
349 1 23 VAL MG1 1 27 LYS H . . 4.620 3.444 3.267 3.774 . 0 0 "[ . 1]" 1
350 1 23 VAL MG1 1 27 LYS HB2 . . 4.543 2.996 2.573 3.332 . 0 0 "[ . 1]" 1
351 1 23 VAL MG1 1 27 LYS QB . . 3.630 2.929 2.541 3.239 . 0 0 "[ . 1]" 1
352 1 23 VAL MG1 1 27 LYS HB3 . . 4.543 4.175 3.744 4.562 0.019 7 0 "[ . 1]" 1
353 1 23 VAL MG1 1 27 LYS QE . . 5.874 3.553 2.462 4.470 . 0 0 "[ . 1]" 1
354 1 23 VAL MG1 1 39 VAL H . . 5.852 4.196 3.989 4.512 . 0 0 "[ . 1]" 1
355 1 23 VAL MG1 1 39 VAL HA . . 3.509 1.962 1.881 2.273 . 0 0 "[ . 1]" 1
356 1 23 VAL MG1 1 39 VAL MG1 . . 3.190 1.888 1.758 2.012 . 0 0 "[ . 1]" 1
357 1 23 VAL MG1 1 39 VAL MG2 . . 3.652 2.388 1.935 3.170 . 0 0 "[ . 1]" 1
358 1 23 VAL MG1 1 42 LEU H . . 5.005 3.994 3.561 4.408 . 0 0 "[ . 1]" 1
359 1 23 VAL MG1 1 42 LEU HB2 . . 4.015 3.065 2.606 3.416 . 0 0 "[ . 1]" 1
360 1 23 VAL MG1 1 42 LEU HB3 . . 4.950 4.149 3.782 4.604 . 0 0 "[ . 1]" 1
361 1 23 VAL MG1 1 43 LEU H . . 4.873 4.454 4.117 4.787 . 0 0 "[ . 1]" 1
362 1 23 VAL MG2 1 24 ILE H . . 4.433 3.661 3.602 3.795 . 0 0 "[ . 1]" 1
363 1 23 VAL MG2 1 39 VAL HA . . 5.533 4.109 3.943 4.539 . 0 0 "[ . 1]" 1
364 1 23 VAL MG2 1 42 LEU HB2 . . 4.125 3.047 2.516 3.549 . 0 0 "[ . 1]" 1
365 1 23 VAL MG2 1 42 LEU HB3 . . 4.455 3.354 2.738 4.232 . 0 0 "[ . 1]" 1
366 1 23 VAL MG2 1 43 LEU HA . . 5.093 4.967 4.536 5.095 0.002 1 0 "[ . 1]" 1
367 1 23 VAL MG2 1 43 LEU HB2 . . 4.147 4.085 3.744 4.153 0.006 4 0 "[ . 1]" 1
368 1 24 ILE H 1 24 ILE HB . . 3.630 2.564 2.539 2.589 . 0 0 "[ . 1]" 1
369 1 24 ILE H 1 24 ILE MD . . 4.070 3.459 3.238 3.612 . 0 0 "[ . 1]" 1
370 1 24 ILE H 1 24 ILE HG12 . . 4.191 3.375 3.231 3.542 . 0 0 "[ . 1]" 1
371 1 24 ILE H 1 24 ILE HG13 . . 4.070 2.041 1.976 2.092 . 0 0 "[ . 1]" 1
372 1 24 ILE H 1 24 ILE MG . . 4.312 3.765 3.764 3.765 . 0 0 "[ . 1]" 1
373 1 24 ILE H 1 25 ALA H . . 3.509 2.667 2.594 2.737 . 0 0 "[ . 1]" 1
374 1 24 ILE H 1 25 ALA MB . . 4.697 4.308 4.219 4.398 . 0 0 "[ . 1]" 1
375 1 24 ILE H 1 26 LEU H . . 5.071 4.105 4.023 4.214 . 0 0 "[ . 1]" 1
376 1 24 ILE H 1 39 VAL MG2 . . 6.050 4.417 4.000 5.099 . 0 0 "[ . 1]" 1
377 1 24 ILE HA 1 24 ILE HG12 . . 4.015 2.596 2.508 2.711 . 0 0 "[ . 1]" 1
378 1 24 ILE HA 1 24 ILE HG13 . . 4.059 2.948 2.808 3.059 . 0 0 "[ . 1]" 1
379 1 24 ILE HA 1 24 ILE MG . . 3.652 2.387 2.327 2.396 . 0 0 "[ . 1]" 1
380 1 24 ILE HA 1 26 LEU H . . 5.566 4.123 4.028 4.187 . 0 0 "[ . 1]" 1
381 1 24 ILE HA 1 27 LYS H . . 4.752 3.787 3.541 3.967 . 0 0 "[ . 1]" 1
382 1 24 ILE HA 1 27 LYS QB . . 4.994 3.302 3.010 3.977 . 0 0 "[ . 1]" 1
383 1 24 ILE HA 1 28 LYS H . . 4.609 2.925 2.817 3.203 . 0 0 "[ . 1]" 1
384 1 24 ILE HA 1 28 LYS HA . . 5.181 3.882 3.701 4.128 . 0 0 "[ . 1]" 1
385 1 24 ILE HA 1 29 PRO HD2 . . 4.708 3.208 2.938 3.700 . 0 0 "[ . 1]" 1
386 1 24 ILE HA 1 29 PRO QD . . 4.081 2.701 2.460 3.339 . 0 0 "[ . 1]" 1
387 1 24 ILE HA 1 29 PRO HD3 . . 4.708 2.916 2.639 3.802 . 0 0 "[ . 1]" 1
388 1 24 ILE HA 1 39 VAL MG2 . . 4.961 2.860 2.394 3.285 . 0 0 "[ . 1]" 1
389 1 24 ILE HB 1 24 ILE MD . . 3.740 2.333 2.232 2.419 . 0 0 "[ . 1]" 1
390 1 24 ILE HB 1 25 ALA H . . 3.553 2.944 2.795 2.993 . 0 0 "[ . 1]" 1
391 1 24 ILE MD 1 25 ALA H . . 5.511 4.752 4.627 4.876 . 0 0 "[ . 1]" 1
392 1 24 ILE MD 1 36 TRP HH2 . . 3.476 2.149 1.973 2.372 . 0 0 "[ . 1]" 1
393 1 24 ILE MD 1 36 TRP HZ2 . . 5.005 3.818 3.420 4.091 . 0 0 "[ . 1]" 1
394 1 24 ILE MD 1 36 TRP HZ3 . . 4.026 3.053 2.020 3.657 . 0 0 "[ . 1]" 1
395 1 24 ILE MD 1 58 ALA H . . 6.050 5.369 5.069 5.653 . 0 0 "[ . 1]" 1
396 1 24 ILE MD 1 58 ALA MB . . 3.454 2.527 2.255 2.747 . 0 0 "[ . 1]" 1
397 1 24 ILE MD 1 62 LEU HB2 . . 4.862 3.575 3.255 3.779 . 0 0 "[ . 1]" 1
398 1 24 ILE MD 1 64 TRP H . . 6.050 5.320 4.946 5.702 . 0 0 "[ . 1]" 1
399 1 24 ILE MD 1 64 TRP HB2 . . 5.027 3.581 3.158 4.084 . 0 0 "[ . 1]" 1
400 1 24 ILE MD 1 64 TRP HB3 . . 5.951 4.653 4.126 5.193 . 0 0 "[ . 1]" 1
401 1 24 ILE MD 1 64 TRP HD1 . . 4.422 4.113 3.822 4.424 0.002 7 0 "[ . 1]" 1
402 1 24 ILE HG12 1 25 ALA H . . 5.973 5.111 5.049 5.197 . 0 0 "[ . 1]" 1
403 1 24 ILE HG12 1 29 PRO QD . . 5.115 3.707 3.455 4.389 . 0 0 "[ . 1]" 1
404 1 24 ILE HG12 1 36 TRP HZ2 . . 5.852 4.664 4.370 5.070 . 0 0 "[ . 1]" 1
405 1 24 ILE HG12 1 36 TRP HZ3 . . 5.016 3.292 2.635 3.629 . 0 0 "[ . 1]" 1
406 1 24 ILE HG13 1 25 ALA H . . 5.214 4.303 4.247 4.320 . 0 0 "[ . 1]" 1
407 1 24 ILE HG13 1 36 TRP HH2 . . 5.082 4.217 3.972 4.458 . 0 0 "[ . 1]" 1
408 1 24 ILE HG13 1 36 TRP HZ3 . . 5.170 3.950 3.690 4.338 . 0 0 "[ . 1]" 1
409 1 24 ILE MG 1 25 ALA H . . 4.246 3.688 3.588 3.713 . 0 0 "[ . 1]" 1
410 1 24 ILE MG 1 25 ALA HA . . 4.565 3.575 3.506 3.702 . 0 0 "[ . 1]" 1
411 1 24 ILE MG 1 28 LYS H . . 5.324 3.654 3.533 3.744 . 0 0 "[ . 1]" 1
412 1 24 ILE MG 1 28 LYS HA . . 4.169 3.064 2.893 3.293 . 0 0 "[ . 1]" 1
413 1 24 ILE MG 1 29 PRO HD2 . . 4.389 2.162 1.972 2.775 . 0 0 "[ . 1]" 1
414 1 24 ILE MG 1 29 PRO QD . . 4.520 2.124 1.945 2.716 . 0 0 "[ . 1]" 1
415 1 24 ILE MG 1 29 PRO HD3 . . 4.389 3.141 2.980 3.865 . 0 0 "[ . 1]" 1
416 1 24 ILE MG 1 29 PRO QG . . 4.301 2.894 2.670 3.880 . 0 0 "[ . 1]" 1
417 1 24 ILE MG 1 36 TRP HH2 . . 4.279 3.804 2.463 4.238 . 0 0 "[ . 1]" 1
418 1 24 ILE MG 1 36 TRP HZ2 . . 5.720 4.316 3.269 4.628 . 0 0 "[ . 1]" 1
419 1 24 ILE MG 1 36 TRP HZ3 . . 5.599 4.827 3.726 5.261 . 0 0 "[ . 1]" 1
420 1 24 ILE MG 1 64 TRP HB2 . . 6.050 4.288 4.143 4.437 . 0 0 "[ . 1]" 1
421 1 24 ILE MG 1 64 TRP HD1 . . 3.289 3.292 3.290 3.294 0.005 4 0 "[ . 1]" 1
422 1 24 ILE MG 1 64 TRP HE1 . . 3.795 3.199 3.039 3.416 . 0 0 "[ . 1]" 1
423 1 25 ALA H 1 25 ALA MB . . 2.860 2.161 2.064 2.275 . 0 0 "[ . 1]" 1
424 1 25 ALA H 1 26 LEU H . . 3.575 2.401 2.321 2.476 . 0 0 "[ . 1]" 1
425 1 25 ALA H 1 28 LYS H . . 5.687 4.497 4.414 4.641 . 0 0 "[ . 1]" 1
426 1 25 ALA HA 1 27 LYS H . . 5.841 4.994 4.407 5.214 . 0 0 "[ . 1]" 1
427 1 25 ALA HA 1 28 LYS H . . 4.752 4.244 3.972 4.344 . 0 0 "[ . 1]" 1
428 1 25 ALA MB 1 26 LEU H . . 3.344 2.889 2.809 2.958 . 0 0 "[ . 1]" 1
429 1 26 LEU H 1 26 LEU QB . . 3.025 2.175 2.109 2.299 . 0 0 "[ . 1]" 1
430 1 26 LEU H 1 26 LEU MD1 . . 5.489 3.768 2.811 4.251 . 0 0 "[ . 1]" 1
431 1 26 LEU H 1 26 LEU QD . . 4.642 3.417 2.724 3.751 . 0 0 "[ . 1]" 1
432 1 26 LEU H 1 26 LEU MD2 . . 5.489 4.194 2.757 4.496 . 0 0 "[ . 1]" 1
433 1 26 LEU H 1 26 LEU HG . . 5.060 4.240 3.337 4.511 . 0 0 "[ . 1]" 1
434 1 26 LEU H 1 27 LYS H . . 3.410 2.492 2.292 2.720 . 0 0 "[ . 1]" 1
435 1 26 LEU H 1 28 LYS H . . 5.258 3.776 3.723 3.940 . 0 0 "[ . 1]" 1
436 1 26 LEU HA 1 26 LEU MD1 . . 4.543 2.925 2.175 3.792 . 0 0 "[ . 1]" 1
437 1 26 LEU HA 1 26 LEU QD . . 3.828 2.530 1.980 2.871 . 0 0 "[ . 1]" 1
438 1 26 LEU HA 1 26 LEU MD2 . . 4.543 3.240 2.279 3.867 . 0 0 "[ . 1]" 1
439 1 26 LEU QB 1 27 LYS H . . 3.432 2.380 2.166 2.842 . 0 0 "[ . 1]" 1
440 1 26 LEU QD 1 27 LYS H . . 5.192 3.763 3.308 4.002 . 0 0 "[ . 1]" 1
441 1 26 LEU QD 1 27 LYS QE . . 5.225 3.609 2.880 4.849 . 0 0 "[ . 1]" 1
442 1 26 LEU MD1 1 27 LYS H . . 6.050 4.529 4.289 4.736 . 0 0 "[ . 1]" 1
443 1 26 LEU MD2 1 27 LYS H . . 6.050 4.071 3.381 4.489 . 0 0 "[ . 1]" 1
444 1 27 LYS H 1 27 LYS HB2 . . 3.883 2.336 2.112 2.601 . 0 0 "[ . 1]" 1
445 1 27 LYS H 1 27 LYS QB . . 3.212 2.297 2.093 2.544 . 0 0 "[ . 1]" 1
446 1 27 LYS H 1 27 LYS HB3 . . 3.883 3.459 2.979 3.625 . 0 0 "[ . 1]" 1
447 1 27 LYS H 1 27 LYS QD . . 5.698 3.161 2.198 3.863 . 0 0 "[ . 1]" 1
448 1 27 LYS H 1 27 LYS QE . . 4.873 4.110 2.802 4.830 . 0 0 "[ . 1]" 1
449 1 27 LYS H 1 27 LYS HG2 . . 5.555 3.289 2.033 4.676 . 0 0 "[ . 1]" 1
450 1 27 LYS H 1 27 LYS QG . . 4.620 2.995 2.021 4.113 . 0 0 "[ . 1]" 1
451 1 27 LYS H 1 27 LYS HG3 . . 5.555 3.912 3.450 4.562 . 0 0 "[ . 1]" 1
452 1 27 LYS H 1 28 LYS H . . 3.795 2.567 2.320 2.728 . 0 0 "[ . 1]" 1
453 1 27 LYS H 1 28 LYS HA . . 5.027 4.806 4.540 4.976 . 0 0 "[ . 1]" 1
454 1 27 LYS H 1 28 LYS QG . . 5.874 4.341 3.802 4.685 . 0 0 "[ . 1]" 1
455 1 27 LYS H 1 39 VAL MG2 . . 5.511 3.859 3.541 4.399 . 0 0 "[ . 1]" 1
456 1 27 LYS H 1 42 LEU QD . . 5.984 5.645 5.091 5.992 0.008 9 0 "[ . 1]" 1
457 1 27 LYS HA 1 27 LYS QD . . 3.399 2.373 2.007 3.400 0.001 7 0 "[ . 1]" 1
458 1 27 LYS HA 1 27 LYS HE2 . . 5.192 4.004 2.505 5.116 . 0 0 "[ . 1]" 1
459 1 27 LYS HA 1 27 LYS QE . . 4.554 3.416 2.432 4.311 . 0 0 "[ . 1]" 1
460 1 27 LYS HA 1 27 LYS HE3 . . 5.192 3.940 2.486 4.954 . 0 0 "[ . 1]" 1
461 1 27 LYS HA 1 39 VAL MG2 . . 5.665 4.448 4.222 4.685 . 0 0 "[ . 1]" 1
462 1 27 LYS QB 1 39 VAL H . . 5.874 4.219 3.875 4.663 . 0 0 "[ . 1]" 1
463 1 27 LYS HB2 1 28 LYS H . . 5.082 2.716 2.462 3.361 . 0 0 "[ . 1]" 1
464 1 27 LYS HB2 1 39 VAL MG2 . . 4.202 2.184 1.940 2.655 . 0 0 "[ . 1]" 1
465 1 27 LYS HB3 1 28 LYS H . . 5.082 3.252 2.577 3.664 . 0 0 "[ . 1]" 1
466 1 27 LYS HB3 1 39 VAL MG2 . . 4.202 2.538 2.074 2.923 . 0 0 "[ . 1]" 1
467 1 27 LYS QE 1 39 VAL MG2 . . 5.368 3.966 2.733 4.898 . 0 0 "[ . 1]" 1
468 1 27 LYS QE 1 42 LEU QD . . 4.565 3.554 2.535 4.569 0.004 7 0 "[ . 1]" 1
469 1 27 LYS QG 1 28 LYS H . . 5.489 4.160 3.816 4.458 . 0 0 "[ . 1]" 1
470 1 27 LYS QG 1 39 VAL H . . 5.874 3.592 3.023 4.997 . 0 0 "[ . 1]" 1
471 1 27 LYS QG 1 39 VAL MG2 . . 3.916 2.326 2.046 3.314 . 0 0 "[ . 1]" 1
472 1 28 LYS H 1 28 LYS HA . . 3.014 2.276 2.275 2.281 . 0 0 "[ . 1]" 1
473 1 28 LYS H 1 28 LYS QB . . 3.773 3.188 3.057 3.298 . 0 0 "[ . 1]" 1
474 1 28 LYS H 1 28 LYS QG . . 3.663 2.959 2.585 3.139 . 0 0 "[ . 1]" 1
475 1 28 LYS H 1 29 PRO HD2 . . 5.192 3.115 3.062 3.204 . 0 0 "[ . 1]" 1
476 1 28 LYS H 1 29 PRO QD . . 4.455 2.500 2.467 2.594 . 0 0 "[ . 1]" 1
477 1 28 LYS H 1 29 PRO HD3 . . 6.192 2.634 2.590 2.740 . 0 0 "[ . 1]" 1
478 1 28 LYS HA 1 29 PRO HD2 . . 5.213 2.078 2.063 2.113 . 0 0 "[ . 1]" 1
479 1 28 LYS HA 1 29 PRO QD . . 5.641 2.036 2.021 2.070 . 0 0 "[ . 1]" 1
480 1 28 LYS HA 1 29 PRO HD3 . . 5.213 2.914 2.893 2.962 . 0 0 "[ . 1]" 1
481 1 28 LYS HA 1 29 PRO QG . . 6.621 3.917 3.906 3.942 . 0 0 "[ . 1]" 1
482 1 28 LYS HA 1 64 TRP HE1 . . 5.610 5.154 4.437 5.594 . 0 0 "[ . 1]" 1
483 1 29 PRO HA 1 30 SER H . . 3.102 2.428 2.258 2.466 . 0 0 "[ . 1]" 1
484 1 29 PRO HA 1 35 ASP HB2 . . 5.280 4.039 3.460 4.605 . 0 0 "[ . 1]" 1
485 1 29 PRO HA 1 35 ASP HB3 . . 4.015 2.774 2.114 3.395 . 0 0 "[ . 1]" 1
486 1 29 PRO HA 1 39 VAL MG2 . . 6.050 4.479 3.976 5.121 . 0 0 "[ . 1]" 1
487 1 29 PRO HB2 1 30 SER H . . 4.235 2.550 2.454 3.010 . 0 0 "[ . 1]" 1
488 1 29 PRO HB2 1 30 SER HA . . 6.050 4.278 4.197 4.493 . 0 0 "[ . 1]" 1
489 1 29 PRO HB2 1 31 ALA H . . 3.322 2.693 2.420 3.422 0.100 7 0 "[ . 1]" 1
490 1 29 PRO HB2 1 32 SER H . . 4.268 3.706 3.467 3.833 . 0 0 "[ . 1]" 1
491 1 29 PRO HB2 1 35 ASP HB2 . . 5.368 3.444 2.612 4.252 . 0 0 "[ . 1]" 1
492 1 29 PRO HB2 1 35 ASP HB3 . . 4.994 2.821 2.385 3.025 . 0 0 "[ . 1]" 1
493 1 29 PRO HB2 1 36 TRP HD1 . . 4.400 4.101 3.093 4.400 0.000 2 0 "[ . 1]" 1
494 1 29 PRO HB2 1 36 TRP HE1 . . 4.477 3.977 3.522 4.460 . 0 0 "[ . 1]" 1
495 1 29 PRO HB2 1 36 TRP HZ2 . . 6.050 5.251 4.824 6.007 . 0 0 "[ . 1]" 1
496 1 29 PRO HB2 1 64 TRP HZ2 . . 4.884 3.996 3.682 4.500 . 0 0 "[ . 1]" 1
497 1 29 PRO HB3 1 30 SER H . . 4.521 3.424 3.375 3.671 . 0 0 "[ . 1]" 1
498 1 29 PRO HB3 1 35 ASP HA . . 5.247 4.434 4.084 4.749 . 0 0 "[ . 1]" 1
499 1 29 PRO HB3 1 35 ASP HB2 . . 5.005 3.551 2.682 4.338 . 0 0 "[ . 1]" 1
500 1 29 PRO HB3 1 35 ASP HB3 . . 4.796 2.233 1.996 2.637 . 0 0 "[ . 1]" 1
501 1 29 PRO HB3 1 36 TRP H . . 4.620 4.202 3.961 4.364 . 0 0 "[ . 1]" 1
502 1 29 PRO HB3 1 36 TRP HD1 . . 5.302 4.829 4.031 5.154 . 0 0 "[ . 1]" 1
503 1 29 PRO HB3 1 36 TRP HE1 . . 6.017 5.164 4.724 5.642 . 0 0 "[ . 1]" 1
504 1 29 PRO HB3 1 39 VAL MG2 . . 5.258 3.049 2.495 3.811 . 0 0 "[ . 1]" 1
505 1 29 PRO QD 1 39 VAL MG2 . . 3.927 2.450 2.139 2.728 . 0 0 "[ . 1]" 1
506 1 29 PRO QG 1 36 TRP HE1 . . 5.555 3.821 2.378 4.205 . 0 0 "[ . 1]" 1
507 1 29 PRO QG 1 36 TRP HH2 . . 5.654 4.369 4.019 5.059 . 0 0 "[ . 1]" 1
508 1 29 PRO QG 1 36 TRP HZ2 . . 4.367 3.733 3.378 4.199 . 0 0 "[ . 1]" 1
509 1 29 PRO QG 1 64 TRP HE1 . . 4.620 4.048 3.777 4.597 . 0 0 "[ . 1]" 1
510 1 29 PRO QG 1 64 TRP HZ2 . . 4.169 2.897 2.517 3.331 . 0 0 "[ . 1]" 1
511 1 29 PRO HG2 1 36 TRP HZ2 . . 5.082 4.094 3.685 4.586 . 0 0 "[ . 1]" 1
512 1 29 PRO HG3 1 36 TRP HZ2 . . 5.082 4.344 3.923 4.869 . 0 0 "[ . 1]" 1
513 1 30 SER H 1 30 SER QB . . 3.729 2.606 2.255 2.861 . 0 0 "[ . 1]" 1
514 1 30 SER H 1 35 ASP HB2 . . 4.114 3.188 2.529 3.920 . 0 0 "[ . 1]" 1
515 1 30 SER H 1 35 ASP HB3 . . 4.015 2.979 2.397 3.763 . 0 0 "[ . 1]" 1
516 1 30 SER H 1 67 PRO HG3 . . 6.028 5.853 5.281 6.030 0.002 9 0 "[ . 1]" 1
517 1 30 SER HA 1 31 ALA MB . . 6.050 3.798 3.706 4.069 . 0 0 "[ . 1]" 1
518 1 30 SER HA 1 64 TRP HH2 . . 5.830 4.653 4.225 5.520 . 0 0 "[ . 1]" 1
519 1 30 SER HA 1 64 TRP HZ2 . . 4.873 3.835 3.531 4.412 . 0 0 "[ . 1]" 1
520 1 30 SER HA 1 67 PRO HD2 . . 5.104 4.197 3.376 4.944 . 0 0 "[ . 1]" 1
521 1 30 SER HA 1 67 PRO HD3 . . 4.169 3.419 2.885 3.948 . 0 0 "[ . 1]" 1
522 1 30 SER HA 1 67 PRO HG3 . . 4.653 3.067 2.514 3.312 . 0 0 "[ . 1]" 1
523 1 30 SER QB 1 32 SER H . . 5.214 5.195 5.120 5.216 0.002 9 0 "[ . 1]" 1
524 1 31 ALA H 1 31 ALA MB . . 3.322 2.869 2.802 2.914 . 0 0 "[ . 1]" 1
525 1 31 ALA H 1 32 SER H . . 3.795 3.178 3.036 3.270 . 0 0 "[ . 1]" 1
526 1 31 ALA H 1 35 ASP HB3 . . 4.917 4.666 4.218 4.923 0.006 7 0 "[ . 1]" 1
527 1 31 ALA H 1 36 TRP HE1 . . 5.093 3.953 3.413 4.967 . 0 0 "[ . 1]" 1
528 1 31 ALA H 1 64 TRP HH2 . . 4.994 2.628 1.951 4.401 . 0 0 "[ . 1]" 1
529 1 31 ALA H 1 64 TRP HZ2 . . 5.225 3.192 2.784 5.227 0.002 7 0 "[ . 1]" 1
530 1 31 ALA H 1 67 PRO HD2 . . 5.511 4.791 4.395 5.174 . 0 0 "[ . 1]" 1
531 1 31 ALA H 1 67 PRO HG3 . . 5.709 5.134 4.782 5.511 . 0 0 "[ . 1]" 1
532 1 31 ALA HA 1 32 SER H . . 3.905 2.353 2.274 2.419 . 0 0 "[ . 1]" 1
533 1 31 ALA HA 1 36 TRP H . . 6.050 5.926 5.338 6.062 0.012 7 0 "[ . 1]" 1
534 1 31 ALA HA 1 36 TRP HD1 . . 4.092 3.620 3.289 3.880 . 0 0 "[ . 1]" 1
535 1 31 ALA HA 1 36 TRP HE1 . . 3.465 2.797 2.551 3.420 . 0 0 "[ . 1]" 1
536 1 31 ALA HA 1 55 ARG HD2 . . 4.697 3.023 2.261 4.368 . 0 0 "[ . 1]" 1
537 1 31 ALA HA 1 55 ARG HD3 . . 4.697 3.973 3.166 4.486 . 0 0 "[ . 1]" 1
538 1 31 ALA HA 1 64 TRP HH2 . . 3.575 2.043 1.998 2.383 . 0 0 "[ . 1]" 1
539 1 31 ALA HA 1 64 TRP HZ2 . . 4.565 4.110 3.497 4.351 . 0 0 "[ . 1]" 1
540 1 31 ALA HA 1 64 TRP HZ3 . . 4.675 3.508 3.097 4.017 . 0 0 "[ . 1]" 1
541 1 31 ALA MB 1 32 SER H . . 4.345 3.658 3.605 3.691 . 0 0 "[ . 1]" 1
542 1 31 ALA MB 1 32 SER HA . . 4.972 4.239 4.173 4.293 . 0 0 "[ . 1]" 1
543 1 31 ALA MB 1 36 TRP HE1 . . 4.774 4.155 3.985 4.681 . 0 0 "[ . 1]" 1
544 1 31 ALA MB 1 55 ARG QD . . 4.356 3.217 2.703 3.838 . 0 0 "[ . 1]" 1
545 1 31 ALA MB 1 64 TRP HH2 . . 3.432 2.590 2.150 2.869 . 0 0 "[ . 1]" 1
546 1 31 ALA MB 1 64 TRP HZ2 . . 4.730 3.859 3.051 4.571 . 0 0 "[ . 1]" 1
547 1 31 ALA MB 1 66 GLU HA . . 5.302 3.173 2.786 3.913 . 0 0 "[ . 1]" 1
548 1 31 ALA MB 1 66 GLU HG2 . . 5.225 4.356 2.006 5.016 . 0 0 "[ . 1]" 1
549 1 31 ALA MB 1 66 GLU HG3 . . 5.225 4.213 2.197 5.227 0.002 10 0 "[ . 1]" 1
550 1 31 ALA MB 1 67 PRO HD3 . . 5.302 3.318 2.586 4.256 . 0 0 "[ . 1]" 1
551 1 32 SER H 1 32 SER QB . . 3.168 2.878 2.739 2.969 . 0 0 "[ . 1]" 1
552 1 32 SER H 1 34 ALA MB . . 6.050 5.802 5.559 6.052 0.002 7 0 "[ . 1]" 1
553 1 32 SER H 1 35 ASP HB2 . . 4.741 3.334 2.583 3.843 . 0 0 "[ . 1]" 1
554 1 32 SER H 1 35 ASP HB3 . . 5.841 4.353 3.789 5.147 . 0 0 "[ . 1]" 1
555 1 32 SER H 1 36 TRP HD1 . . 5.104 2.262 1.998 2.437 . 0 0 "[ . 1]" 1
556 1 32 SER H 1 36 TRP HE1 . . 5.225 3.360 3.012 3.841 . 0 0 "[ . 1]" 1
557 1 32 SER H 1 55 ARG QD . . 5.874 3.313 2.633 4.325 . 0 0 "[ . 1]" 1
558 1 32 SER H 1 64 TRP HH2 . . 5.467 3.985 3.767 4.213 . 0 0 "[ . 1]" 1
559 1 32 SER HA 1 32 SER QB . . 2.772 2.415 2.212 2.540 . 0 0 "[ . 1]" 1
560 1 32 SER HA 1 33 ASP H . . 2.937 2.185 2.147 2.285 . 0 0 "[ . 1]" 1
561 1 32 SER HA 1 34 ALA H . . 4.400 3.941 3.740 4.309 . 0 0 "[ . 1]" 1
562 1 32 SER QB 1 33 ASP H . . 4.279 3.384 3.134 3.710 . 0 0 "[ . 1]" 1
563 1 32 SER QB 1 34 ALA H . . 4.400 3.037 2.384 3.805 . 0 0 "[ . 1]" 1
564 1 32 SER QB 1 34 ALA MB . . 5.467 3.157 2.501 3.781 . 0 0 "[ . 1]" 1
565 1 33 ASP H 1 33 ASP QB . . 3.366 2.420 2.099 2.631 . 0 0 "[ . 1]" 1
566 1 33 ASP H 1 34 ALA H . . 4.191 2.741 2.546 2.833 . 0 0 "[ . 1]" 1
567 1 33 ASP H 1 34 ALA MB . . 5.599 4.398 4.200 4.498 . 0 0 "[ . 1]" 1
568 1 33 ASP H 1 51 PRO HB2 . . 6.050 5.611 5.164 6.053 0.003 3 0 "[ . 1]" 1
569 1 33 ASP H 1 51 PRO HG2 . . 6.039 5.696 5.147 6.040 0.001 5 0 "[ . 1]" 1
570 1 33 ASP HA 1 36 TRP H . . 4.488 3.537 3.157 3.939 . 0 0 "[ . 1]" 1
571 1 33 ASP HA 1 36 TRP HB2 . . 4.774 2.612 2.108 3.227 . 0 0 "[ . 1]" 1
572 1 33 ASP HA 1 36 TRP HB3 . . 5.159 4.083 3.546 4.745 . 0 0 "[ . 1]" 1
573 1 33 ASP HA 1 36 TRP HD1 . . 4.510 3.557 3.108 4.169 . 0 0 "[ . 1]" 1
574 1 33 ASP HA 1 51 PRO HB2 . . 4.587 2.924 2.640 3.359 . 0 0 "[ . 1]" 1
575 1 33 ASP HA 1 51 PRO HG2 . . 4.147 3.355 2.989 3.750 . 0 0 "[ . 1]" 1
576 1 33 ASP QB 1 34 ALA H . . 4.015 3.191 2.463 3.546 . 0 0 "[ . 1]" 1
577 1 33 ASP QB 1 51 PRO HB2 . . 5.324 3.912 3.216 4.718 . 0 0 "[ . 1]" 1
578 1 33 ASP QB 1 51 PRO HG2 . . 4.631 2.848 2.240 3.766 . 0 0 "[ . 1]" 1
579 1 33 ASP QB 1 51 PRO HG3 . . 5.038 3.764 3.007 4.575 . 0 0 "[ . 1]" 1
580 1 34 ALA H 1 34 ALA MB . . 3.421 2.211 2.141 2.245 . 0 0 "[ . 1]" 1
581 1 34 ALA H 1 35 ASP H . . 4.092 2.618 2.375 2.814 . 0 0 "[ . 1]" 1
582 1 34 ALA H 1 51 PRO HB2 . . 6.050 6.020 5.931 6.055 0.005 6 0 "[ . 1]" 1
583 1 34 ALA H 1 51 PRO HG2 . . 6.050 5.904 5.735 6.051 0.001 10 0 "[ . 1]" 1
584 1 34 ALA HA 1 36 TRP H . . 5.456 4.575 4.300 4.911 . 0 0 "[ . 1]" 1
585 1 34 ALA HA 1 37 THR HB . . 3.993 3.589 3.165 3.993 0.000 10 0 "[ . 1]" 1
586 1 34 ALA HA 1 37 THR MG . . 4.928 3.865 2.486 4.403 . 0 0 "[ . 1]" 1
587 1 34 ALA MB 1 35 ASP H . . 3.454 2.587 2.210 2.909 . 0 0 "[ . 1]" 1
588 1 34 ALA MB 1 35 ASP HA . . 5.082 3.847 3.742 3.967 . 0 0 "[ . 1]" 1
589 1 34 ALA MB 1 36 TRP H . . 5.390 4.560 4.270 4.871 . 0 0 "[ . 1]" 1
590 1 34 ALA MB 1 37 THR H . . 5.192 4.609 4.434 4.878 . 0 0 "[ . 1]" 1
591 1 34 ALA MB 1 37 THR HB . . 4.950 4.558 4.209 4.930 . 0 0 "[ . 1]" 1
592 1 35 ASP H 1 35 ASP HB2 . . 3.366 2.247 2.075 2.563 . 0 0 "[ . 1]" 1
593 1 35 ASP H 1 35 ASP HB3 . . 3.971 3.469 3.233 3.658 . 0 0 "[ . 1]" 1
594 1 35 ASP HA 1 38 GLU H . . 4.664 3.896 3.762 4.136 . 0 0 "[ . 1]" 1
595 1 35 ASP HA 1 38 GLU QB . . 5.126 4.036 3.765 4.440 . 0 0 "[ . 1]" 1
596 1 35 ASP HB2 1 36 TRP H . . 3.817 2.849 2.434 3.272 . 0 0 "[ . 1]" 1
597 1 35 ASP HB2 1 36 TRP HD1 . . 5.225 4.148 3.162 4.897 . 0 0 "[ . 1]" 1
598 1 35 ASP HB3 1 36 TRP H . . 4.103 3.298 2.848 3.709 . 0 0 "[ . 1]" 1
599 1 36 TRP H 1 36 TRP HB2 . . 3.234 2.212 2.158 2.285 . 0 0 "[ . 1]" 1
600 1 36 TRP H 1 36 TRP HB3 . . 3.938 3.509 3.469 3.554 . 0 0 "[ . 1]" 1
601 1 36 TRP H 1 36 TRP HD1 . . 3.982 3.022 2.763 3.247 . 0 0 "[ . 1]" 1
602 1 36 TRP H 1 36 TRP HE3 . . 5.984 5.333 5.236 5.570 . 0 0 "[ . 1]" 1
603 1 36 TRP H 1 37 THR H . . 3.520 2.594 2.490 2.702 . 0 0 "[ . 1]" 1
604 1 36 TRP H 1 39 VAL MG2 . . 5.621 4.775 4.088 5.556 . 0 0 "[ . 1]" 1
605 1 36 TRP H 1 51 PRO HB3 . . 5.489 5.041 4.626 5.355 . 0 0 "[ . 1]" 1
606 1 36 TRP HA 1 36 TRP HD1 . . 4.950 4.033 3.660 4.163 . 0 0 "[ . 1]" 1
607 1 36 TRP HA 1 36 TRP HE1 . . 6.006 5.231 5.048 5.345 . 0 0 "[ . 1]" 1
608 1 36 TRP HA 1 36 TRP HE3 . . 4.103 3.048 2.834 3.633 . 0 0 "[ . 1]" 1
609 1 36 TRP HA 1 39 VAL H . . 3.993 3.178 3.033 3.328 . 0 0 "[ . 1]" 1
610 1 36 TRP HA 1 39 VAL HB . . 3.465 2.746 2.406 3.335 . 0 0 "[ . 1]" 1
611 1 36 TRP HA 1 39 VAL MG1 . . 4.785 4.159 3.815 4.747 . 0 0 "[ . 1]" 1
612 1 36 TRP HA 1 39 VAL MG2 . . 3.927 2.686 2.100 3.380 . 0 0 "[ . 1]" 1
613 1 36 TRP HA 1 40 LEU H . . 4.851 3.883 3.590 4.456 . 0 0 "[ . 1]" 1
614 1 36 TRP HA 1 54 VAL MG1 . . 5.885 5.478 5.170 5.666 . 0 0 "[ . 1]" 1
615 1 36 TRP HB2 1 36 TRP HD1 . . 3.685 2.612 2.576 2.734 . 0 0 "[ . 1]" 1
616 1 36 TRP HB2 1 36 TRP HE1 . . 5.313 4.772 4.760 4.813 . 0 0 "[ . 1]" 1
617 1 36 TRP HB2 1 37 THR H . . 4.554 3.195 3.114 3.264 . 0 0 "[ . 1]" 1
618 1 36 TRP HB2 1 51 PRO HA . . 4.994 4.639 4.314 4.998 0.004 7 0 "[ . 1]" 1
619 1 36 TRP HB2 1 51 PRO HB2 . . 4.994 2.416 2.124 2.999 . 0 0 "[ . 1]" 1
620 1 36 TRP HB2 1 51 PRO HB3 . . 4.576 3.294 2.722 4.028 . 0 0 "[ . 1]" 1
621 1 36 TRP HB2 1 54 VAL MG1 . . 6.050 5.663 5.376 5.934 . 0 0 "[ . 1]" 1
622 1 36 TRP HB2 1 55 ARG H . . 6.050 5.698 5.494 5.872 . 0 0 "[ . 1]" 1
623 1 36 TRP HB3 1 36 TRP HE3 . . 3.916 2.687 2.494 2.769 . 0 0 "[ . 1]" 1
624 1 36 TRP HB3 1 37 THR H . . 4.994 3.715 3.581 3.920 . 0 0 "[ . 1]" 1
625 1 36 TRP HB3 1 51 PRO HA . . 4.631 3.546 3.216 4.026 . 0 0 "[ . 1]" 1
626 1 36 TRP HB3 1 51 PRO HB2 . . 4.906 2.377 2.122 2.977 . 0 0 "[ . 1]" 1
627 1 36 TRP HB3 1 51 PRO HB3 . . 4.895 2.416 2.109 3.349 . 0 0 "[ . 1]" 1
628 1 36 TRP HB3 1 54 VAL H . . 6.017 6.020 6.006 6.027 0.010 9 0 "[ . 1]" 1
629 1 36 TRP HB3 1 54 VAL MG1 . . 4.851 4.370 4.074 4.662 . 0 0 "[ . 1]" 1
630 1 36 TRP HB3 1 54 VAL MG2 . . 5.962 4.897 4.590 5.053 . 0 0 "[ . 1]" 1
631 1 36 TRP HB3 1 55 ARG H . . 5.434 5.157 4.907 5.434 . 0 0 "[ . 1]" 1
632 1 36 TRP HD1 1 55 ARG HB2 . . 5.082 3.590 3.006 4.421 . 0 0 "[ . 1]" 1
633 1 36 TRP HD1 1 55 ARG QD . . 3.773 2.876 2.126 3.574 . 0 0 "[ . 1]" 1
634 1 36 TRP HD1 1 64 TRP HH2 . . 6.050 4.564 4.298 5.069 . 0 0 "[ . 1]" 1
635 1 36 TRP HD1 1 64 TRP HZ3 . . 6.050 5.072 4.612 5.646 . 0 0 "[ . 1]" 1
636 1 36 TRP HE1 1 55 ARG HA . . 5.412 3.547 2.890 5.076 . 0 0 "[ . 1]" 1
637 1 36 TRP HE1 1 55 ARG HD2 . . 5.104 3.174 1.956 3.820 . 0 0 "[ . 1]" 1
638 1 36 TRP HE1 1 55 ARG QD . . 4.202 2.826 1.935 3.498 . 0 0 "[ . 1]" 1
639 1 36 TRP HE1 1 55 ARG HD3 . . 5.104 3.393 2.670 4.057 . 0 0 "[ . 1]" 1
640 1 36 TRP HE1 1 55 ARG QG . . 5.137 2.629 2.010 4.087 . 0 0 "[ . 1]" 1
641 1 36 TRP HE1 1 59 ILE MD . . 6.050 5.202 4.586 5.719 . 0 0 "[ . 1]" 1
642 1 36 TRP HE1 1 64 TRP HH2 . . 4.587 2.617 2.444 2.801 . 0 0 "[ . 1]" 1
643 1 36 TRP HE1 1 64 TRP HZ3 . . 4.444 2.758 2.167 3.647 . 0 0 "[ . 1]" 1
644 1 36 TRP HE3 1 39 VAL HB . . 3.960 2.570 2.220 3.088 . 0 0 "[ . 1]" 1
645 1 36 TRP HE3 1 39 VAL MG1 . . 3.674 2.950 2.605 3.398 . 0 0 "[ . 1]" 1
646 1 36 TRP HE3 1 39 VAL MG2 . . 4.400 3.737 3.483 4.049 . 0 0 "[ . 1]" 1
647 1 36 TRP HE3 1 40 LEU H . . 5.082 3.752 3.382 4.564 . 0 0 "[ . 1]" 1
648 1 36 TRP HE3 1 40 LEU HA . . 5.841 4.670 4.349 5.465 . 0 0 "[ . 1]" 1
649 1 36 TRP HE3 1 40 LEU HB2 . . 6.050 4.504 3.375 5.441 . 0 0 "[ . 1]" 1
650 1 36 TRP HE3 1 51 PRO HA . . 5.775 4.632 4.334 4.814 . 0 0 "[ . 1]" 1
651 1 36 TRP HE3 1 54 VAL HB . . 4.499 3.772 3.533 4.082 . 0 0 "[ . 1]" 1
652 1 36 TRP HE3 1 54 VAL MG1 . . 3.388 2.904 2.571 3.165 . 0 0 "[ . 1]" 1
653 1 36 TRP HE3 1 55 ARG H . . 5.819 5.506 5.025 5.759 . 0 0 "[ . 1]" 1
654 1 36 TRP HE3 1 55 ARG HA . . 6.050 4.878 4.329 5.243 . 0 0 "[ . 1]" 1
655 1 36 TRP HH2 1 39 VAL MG1 . . 5.214 4.179 3.765 4.747 . 0 0 "[ . 1]" 1
656 1 36 TRP HH2 1 55 ARG HA . . 5.137 4.113 3.924 4.318 . 0 0 "[ . 1]" 1
657 1 36 TRP HH2 1 58 ALA H . . 5.511 4.762 4.379 5.313 . 0 0 "[ . 1]" 1
658 1 36 TRP HH2 1 58 ALA MB . . 3.157 2.160 2.018 2.384 . 0 0 "[ . 1]" 1
659 1 36 TRP HZ2 1 55 ARG QG . . 5.148 3.637 3.013 4.233 . 0 0 "[ . 1]" 1
660 1 36 TRP HZ2 1 58 ALA MB . . 4.587 3.077 2.718 3.721 . 0 0 "[ . 1]" 1
661 1 36 TRP HZ2 1 59 ILE MD . . 5.709 4.882 4.434 5.317 . 0 0 "[ . 1]" 1
662 1 36 TRP HZ2 1 64 TRP HH2 . . 6.050 3.837 3.468 4.237 . 0 0 "[ . 1]" 1
663 1 36 TRP HZ2 1 64 TRP HZ2 . . 4.785 4.351 3.649 4.786 0.001 1 0 "[ . 1]" 1
664 1 36 TRP HZ2 1 64 TRP HZ3 . . 5.390 3.167 2.746 4.161 . 0 0 "[ . 1]" 1
665 1 36 TRP HZ3 1 39 VAL HB . . 5.214 3.790 3.294 4.500 . 0 0 "[ . 1]" 1
666 1 36 TRP HZ3 1 39 VAL MG1 . . 3.498 2.509 1.976 3.323 . 0 0 "[ . 1]" 1
667 1 36 TRP HZ3 1 39 VAL MG2 . . 5.181 4.256 3.874 4.974 . 0 0 "[ . 1]" 1
668 1 36 TRP HZ3 1 54 VAL HB . . 5.566 4.533 4.040 4.806 . 0 0 "[ . 1]" 1
669 1 36 TRP HZ3 1 54 VAL MG1 . . 3.487 2.483 2.209 2.718 . 0 0 "[ . 1]" 1
670 1 36 TRP HZ3 1 54 VAL MG2 . . 5.148 4.942 4.481 5.150 0.002 3 0 "[ . 1]" 1
671 1 36 TRP HZ3 1 55 ARG HA . . 5.269 4.841 4.239 5.166 . 0 0 "[ . 1]" 1
672 1 36 TRP HZ3 1 58 ALA H . . 6.017 5.654 5.196 6.001 . 0 0 "[ . 1]" 1
673 1 36 TRP HZ3 1 58 ALA MB . . 3.993 3.312 2.809 3.603 . 0 0 "[ . 1]" 1
674 1 37 THR H 1 37 THR HB . . 3.333 2.645 2.394 2.904 . 0 0 "[ . 1]" 1
675 1 37 THR H 1 37 THR MG . . 4.191 3.462 2.274 3.766 . 0 0 "[ . 1]" 1
676 1 37 THR H 1 38 GLU H . . 3.597 2.757 2.662 2.928 . 0 0 "[ . 1]" 1
677 1 37 THR H 1 39 VAL H . . 5.588 4.301 3.997 4.747 . 0 0 "[ . 1]" 1
678 1 37 THR H 1 39 VAL MG2 . . 6.050 5.035 4.524 5.604 . 0 0 "[ . 1]" 1
679 1 37 THR H 1 40 LEU MD2 . . 5.830 4.065 3.487 4.917 . 0 0 "[ . 1]" 1
680 1 37 THR H 1 51 PRO HB2 . . 4.939 4.300 3.641 4.871 . 0 0 "[ . 1]" 1
681 1 37 THR H 1 51 PRO HB3 . . 4.488 4.116 3.454 4.502 0.014 9 0 "[ . 1]" 1
682 1 37 THR H 1 51 PRO HG3 . . 5.368 4.015 3.141 4.462 . 0 0 "[ . 1]" 1
683 1 37 THR HA 1 37 THR MG . . 3.487 2.440 2.146 3.199 . 0 0 "[ . 1]" 1
684 1 37 THR HA 1 40 LEU H . . 4.961 3.795 3.481 4.116 . 0 0 "[ . 1]" 1
685 1 37 THR HA 1 40 LEU HB2 . . 6.050 4.959 4.153 5.458 . 0 0 "[ . 1]" 1
686 1 37 THR HA 1 40 LEU HB3 . . 4.466 3.641 2.516 4.310 . 0 0 "[ . 1]" 1
687 1 37 THR HA 1 40 LEU MD2 . . 4.169 2.152 1.893 2.984 . 0 0 "[ . 1]" 1
688 1 37 THR HA 1 40 LEU HG . . 4.653 3.288 2.893 4.448 . 0 0 "[ . 1]" 1
689 1 37 THR HA 1 51 PRO HG3 . . 4.884 3.130 2.395 3.572 . 0 0 "[ . 1]" 1
690 1 37 THR HB 1 38 GLU H . . 3.718 2.953 2.283 3.899 0.181 6 0 "[ . 1]" 1
691 1 37 THR HB 1 39 VAL H . . 5.698 5.262 4.822 5.698 0.000 6 0 "[ . 1]" 1
692 1 37 THR MG 1 38 GLU H . . 4.301 3.365 1.987 3.962 . 0 0 "[ . 1]" 1
693 1 37 THR MG 1 38 GLU HA . . 5.005 3.658 3.193 4.123 . 0 0 "[ . 1]" 1
694 1 37 THR MG 1 39 VAL H . . 6.050 5.118 4.089 5.772 . 0 0 "[ . 1]" 1
695 1 37 THR MG 1 40 LEU MD2 . . 4.730 3.464 2.957 4.320 . 0 0 "[ . 1]" 1
696 1 37 THR MG 1 40 LEU HG . . 5.126 4.238 3.529 5.138 0.012 6 0 "[ . 1]" 1
697 1 37 THR MG 1 41 ARG H . . 5.214 4.675 4.159 5.145 . 0 0 "[ . 1]" 1
698 1 37 THR MG 1 41 ARG QB . . 5.599 4.053 3.505 4.749 . 0 0 "[ . 1]" 1
699 1 37 THR MG 1 41 ARG QD . . 4.807 3.789 2.454 4.683 . 0 0 "[ . 1]" 1
700 1 37 THR MG 1 51 PRO HB2 . . 6.050 5.722 5.090 6.068 0.018 6 0 "[ . 1]" 1
701 1 37 THR MG 1 51 PRO HB3 . . 5.918 4.961 4.441 5.649 . 0 0 "[ . 1]" 1
702 1 37 THR MG 1 51 PRO HG3 . . 5.390 4.051 3.291 5.067 . 0 0 "[ . 1]" 1
703 1 38 GLU H 1 38 GLU HB2 . . 3.927 2.292 2.085 2.467 . 0 0 "[ . 1]" 1
704 1 38 GLU H 1 38 GLU HB3 . . 3.927 3.414 2.821 3.610 . 0 0 "[ . 1]" 1
705 1 38 GLU H 1 38 GLU QG . . 4.477 3.000 2.265 4.043 . 0 0 "[ . 1]" 1
706 1 38 GLU H 1 39 VAL H . . 4.290 2.544 2.370 2.708 . 0 0 "[ . 1]" 1
707 1 38 GLU H 1 39 VAL MG2 . . 5.170 3.951 3.760 4.229 . 0 0 "[ . 1]" 1
708 1 38 GLU H 1 40 LEU MD2 . . 5.775 4.914 4.348 5.778 0.003 2 0 "[ . 1]" 1
709 1 38 GLU H 1 41 ARG QG . . 5.874 5.475 4.699 5.878 0.004 8 0 "[ . 1]" 1
710 1 38 GLU HA 1 41 ARG H . . 4.048 3.412 3.214 3.647 . 0 0 "[ . 1]" 1
711 1 38 GLU HA 1 41 ARG QB . . 4.631 2.289 1.984 2.571 . 0 0 "[ . 1]" 1
712 1 38 GLU HA 1 41 ARG QD . . 4.851 3.095 1.988 4.348 . 0 0 "[ . 1]" 1
713 1 38 GLU HA 1 41 ARG HG2 . . 6.028 4.397 3.427 5.135 . 0 0 "[ . 1]" 1
714 1 38 GLU HA 1 41 ARG HG3 . . 6.028 3.919 3.131 4.803 . 0 0 "[ . 1]" 1
715 1 38 GLU QB 1 39 VAL H . . 3.685 2.585 2.144 2.944 . 0 0 "[ . 1]" 1
716 1 38 GLU HB2 1 39 VAL H . . 4.642 2.897 2.395 3.378 . 0 0 "[ . 1]" 1
717 1 38 GLU HB3 1 39 VAL H . . 4.642 3.233 2.169 3.946 . 0 0 "[ . 1]" 1
718 1 38 GLU QG 1 41 ARG QD . . 5.368 4.018 2.839 5.339 . 0 0 "[ . 1]" 1
719 1 39 VAL H 1 39 VAL HB . . 3.267 2.568 2.495 2.677 . 0 0 "[ . 1]" 1
720 1 39 VAL H 1 39 VAL MG1 . . 4.224 3.767 3.757 3.781 . 0 0 "[ . 1]" 1
721 1 39 VAL H 1 39 VAL MG2 . . 3.344 2.130 1.953 2.336 . 0 0 "[ . 1]" 1
722 1 39 VAL H 1 40 LEU H . . 3.520 2.655 2.360 2.867 . 0 0 "[ . 1]" 1
723 1 39 VAL HA 1 39 VAL MG1 . . 3.707 2.348 2.311 2.389 . 0 0 "[ . 1]" 1
724 1 39 VAL HA 1 39 VAL MG2 . . 3.663 2.389 2.317 2.433 . 0 0 "[ . 1]" 1
725 1 39 VAL HA 1 42 LEU H . . 4.620 4.143 3.885 4.424 . 0 0 "[ . 1]" 1
726 1 39 VAL HA 1 42 LEU HB2 . . 4.477 4.240 3.780 4.459 . 0 0 "[ . 1]" 1
727 1 39 VAL HA 1 42 LEU HB3 . . 6.050 5.853 5.388 6.064 0.014 7 0 "[ . 1]" 1
728 1 39 VAL HA 1 42 LEU MD1 . . 5.225 3.901 2.339 4.766 . 0 0 "[ . 1]" 1
729 1 39 VAL HA 1 42 LEU QD . . 4.235 3.668 2.335 4.238 0.003 3 0 "[ . 1]" 1
730 1 39 VAL HA 1 42 LEU MD2 . . 5.225 4.827 4.379 5.227 0.002 7 0 "[ . 1]" 1
731 1 39 VAL HA 1 43 LEU H . . 5.720 5.267 4.758 5.710 . 0 0 "[ . 1]" 1
732 1 39 VAL HA 1 43 LEU HB2 . . 6.050 5.807 4.962 6.065 0.015 4 0 "[ . 1]" 1
733 1 39 VAL HB 1 40 LEU H . . 3.212 2.602 2.329 2.714 . 0 0 "[ . 1]" 1
734 1 39 VAL MG1 1 40 LEU H . . 4.224 3.529 3.371 3.701 . 0 0 "[ . 1]" 1
735 1 39 VAL MG1 1 40 LEU HA . . 4.620 3.639 3.542 3.784 . 0 0 "[ . 1]" 1
736 1 39 VAL MG1 1 43 LEU H . . 5.412 4.732 4.222 5.373 . 0 0 "[ . 1]" 1
737 1 39 VAL MG2 1 40 LEU H . . 4.400 3.802 3.644 3.862 . 0 0 "[ . 1]" 1
738 1 40 LEU H 1 40 LEU HB2 . . 3.971 3.388 2.820 3.555 . 0 0 "[ . 1]" 1
739 1 40 LEU H 1 40 LEU HB3 . . 3.256 2.243 2.196 2.285 . 0 0 "[ . 1]" 1
740 1 40 LEU H 1 40 LEU MD2 . . 3.927 3.461 3.221 4.090 0.163 2 0 "[ . 1]" 1
741 1 40 LEU H 1 40 LEU HG . . 4.851 3.230 2.878 4.268 . 0 0 "[ . 1]" 1
742 1 40 LEU H 1 41 ARG H . . 4.114 2.445 2.396 2.508 . 0 0 "[ . 1]" 1
743 1 40 LEU H 1 42 LEU H . . 5.522 4.558 4.261 4.851 . 0 0 "[ . 1]" 1
744 1 40 LEU H 1 54 VAL MG1 . . 6.050 5.052 4.684 5.300 . 0 0 "[ . 1]" 1
745 1 40 LEU H 1 54 VAL MG2 . . 5.973 5.527 5.075 5.885 . 0 0 "[ . 1]" 1
746 1 40 LEU HA 1 40 LEU MD1 . . 4.455 3.091 2.254 3.340 . 0 0 "[ . 1]" 1
747 1 40 LEU HA 1 43 LEU H . . 4.180 3.238 2.943 3.457 . 0 0 "[ . 1]" 1
748 1 40 LEU HA 1 43 LEU HB2 . . 5.500 2.880 2.453 3.569 . 0 0 "[ . 1]" 1
749 1 40 LEU HA 1 43 LEU HB3 . . 4.169 3.319 2.595 3.598 . 0 0 "[ . 1]" 1
750 1 40 LEU HA 1 44 ALA H . . 4.554 4.197 3.858 4.564 0.010 7 0 "[ . 1]" 1
751 1 40 LEU HA 1 44 ALA MB . . 5.500 4.791 4.182 5.342 . 0 0 "[ . 1]" 1
752 1 40 LEU HA 1 48 VAL MG2 . . 4.983 4.538 4.082 4.936 . 0 0 "[ . 1]" 1
753 1 40 LEU HA 1 54 VAL MG1 . . 5.379 4.160 3.931 4.450 . 0 0 "[ . 1]" 1
754 1 40 LEU HA 1 54 VAL MG2 . . 5.390 4.417 3.978 4.735 . 0 0 "[ . 1]" 1
755 1 40 LEU HB2 1 41 ARG H . . 5.049 4.313 4.275 4.339 . 0 0 "[ . 1]" 1
756 1 40 LEU HB2 1 44 ALA HA . . 6.050 5.478 5.154 6.054 0.004 2 0 "[ . 1]" 1
757 1 40 LEU HB2 1 54 VAL H . . 6.050 6.082 6.063 6.100 0.050 6 0 "[ . 1]" 1
758 1 40 LEU HB2 1 54 VAL MG1 . . 5.104 3.755 3.394 4.133 . 0 0 "[ . 1]" 1
759 1 40 LEU HB2 1 54 VAL MG2 . . 5.401 3.149 2.860 3.548 . 0 0 "[ . 1]" 1
760 1 40 LEU HB3 1 40 LEU MD2 . . 3.597 2.120 2.030 2.187 . 0 0 "[ . 1]" 1
761 1 40 LEU HB3 1 41 ARG H . . 4.664 3.690 3.169 3.866 . 0 0 "[ . 1]" 1
762 1 40 LEU HB3 1 54 VAL MG2 . . 4.917 3.896 3.249 4.803 . 0 0 "[ . 1]" 1
763 1 40 LEU MD1 1 41 ARG H . . 5.819 3.849 3.626 4.567 . 0 0 "[ . 1]" 1
764 1 40 LEU MD1 1 41 ARG HA . . 5.445 3.261 2.841 4.625 . 0 0 "[ . 1]" 1
765 1 40 LEU MD1 1 44 ALA H . . 5.511 3.538 3.293 3.997 . 0 0 "[ . 1]" 1
766 1 40 LEU MD1 1 50 GLU H . . 5.698 5.264 4.700 5.624 . 0 0 "[ . 1]" 1
767 1 40 LEU MD1 1 50 GLU HA . . 4.917 3.823 3.460 4.333 . 0 0 "[ . 1]" 1
768 1 40 LEU MD2 1 41 ARG H . . 6.050 4.141 4.021 4.581 . 0 0 "[ . 1]" 1
769 1 40 LEU MD2 1 50 GLU H . . 6.050 5.133 4.547 5.720 . 0 0 "[ . 1]" 1
770 1 40 LEU MD2 1 50 GLU HA . . 5.137 3.103 2.638 3.529 . 0 0 "[ . 1]" 1
771 1 40 LEU MD2 1 51 PRO HA . . 3.586 2.647 1.980 3.100 . 0 0 "[ . 1]" 1
772 1 40 LEU MD2 1 51 PRO HB2 . . 5.093 3.321 3.258 3.493 . 0 0 "[ . 1]" 1
773 1 40 LEU MD2 1 51 PRO HD2 . . 4.774 3.329 3.239 3.416 . 0 0 "[ . 1]" 1
774 1 40 LEU MD2 1 51 PRO QD . . 4.048 1.927 1.878 2.023 . 0 0 "[ . 1]" 1
775 1 40 LEU MD2 1 51 PRO HD3 . . 4.774 1.940 1.889 2.039 . 0 0 "[ . 1]" 1
776 1 40 LEU MD2 1 51 PRO HG2 . . 5.104 3.637 3.519 3.809 . 0 0 "[ . 1]" 1
777 1 40 LEU MD2 1 52 GLU H . . 5.830 4.477 4.154 4.698 . 0 0 "[ . 1]" 1
778 1 40 LEU MD2 1 53 VAL H . . 6.050 5.516 4.984 5.990 . 0 0 "[ . 1]" 1
779 1 40 LEU MD2 1 54 VAL H . . 6.050 5.077 4.376 5.622 . 0 0 "[ . 1]" 1
780 1 40 LEU MD2 1 54 VAL HB . . 6.050 4.163 3.248 4.715 . 0 0 "[ . 1]" 1
781 1 40 LEU MD2 1 54 VAL MG2 . . 5.302 3.318 2.684 4.020 . 0 0 "[ . 1]" 1
782 1 40 LEU HG 1 41 ARG HA . . 6.050 3.300 3.177 3.553 . 0 0 "[ . 1]" 1
783 1 40 LEU HG 1 54 VAL MG2 . . 6.050 5.222 4.770 5.680 . 0 0 "[ . 1]" 1
784 1 41 ARG H 1 41 ARG QB . . 3.707 2.093 2.049 2.225 . 0 0 "[ . 1]" 1
785 1 41 ARG H 1 41 ARG QG . . 4.378 3.496 2.682 4.062 . 0 0 "[ . 1]" 1
786 1 41 ARG H 1 42 LEU H . . 3.883 2.805 2.617 2.995 . 0 0 "[ . 1]" 1
787 1 41 ARG HA 1 41 ARG QD . . 5.071 3.589 1.984 4.271 . 0 0 "[ . 1]" 1
788 1 41 ARG QB 1 42 LEU H . . 3.949 2.650 2.191 3.499 . 0 0 "[ . 1]" 1
789 1 41 ARG QB 1 42 LEU QD . . 5.467 2.910 2.128 3.560 . 0 0 "[ . 1]" 1
790 1 42 LEU H 1 42 LEU HB2 . . 3.157 2.231 2.068 2.693 . 0 0 "[ . 1]" 1
791 1 42 LEU H 1 42 LEU HB3 . . 4.191 3.467 3.358 3.625 . 0 0 "[ . 1]" 1
792 1 42 LEU H 1 42 LEU MD1 . . 4.367 2.589 2.124 3.647 . 0 0 "[ . 1]" 1
793 1 42 LEU H 1 42 LEU MD2 . . 4.367 3.960 3.449 4.224 . 0 0 "[ . 1]" 1
794 1 42 LEU H 1 42 LEU HG . . 4.554 3.742 2.267 4.330 . 0 0 "[ . 1]" 1
795 1 42 LEU H 1 43 LEU H . . 3.608 2.596 2.362 2.700 . 0 0 "[ . 1]" 1
796 1 42 LEU HA 1 42 LEU QD . . 3.091 2.490 2.141 3.031 . 0 0 "[ . 1]" 1
797 1 42 LEU HA 1 42 LEU HG . . 4.037 2.523 2.303 3.135 . 0 0 "[ . 1]" 1
798 1 42 LEU HA 1 44 ALA MB . . 5.203 4.316 4.122 4.499 . 0 0 "[ . 1]" 1
799 1 42 LEU HB2 1 43 LEU H . . 3.927 2.848 2.236 3.280 . 0 0 "[ . 1]" 1
800 1 42 LEU HB3 1 43 LEU H . . 4.763 3.310 2.696 3.988 . 0 0 "[ . 1]" 1
801 1 42 LEU QD 1 43 LEU HA . . 5.984 5.108 4.942 5.250 . 0 0 "[ . 1]" 1
802 1 42 LEU HG 1 43 LEU H . . 5.830 4.898 4.118 5.259 . 0 0 "[ . 1]" 1
803 1 43 LEU H 1 43 LEU HB2 . . 3.454 2.134 2.049 2.254 . 0 0 "[ . 1]" 1
804 1 43 LEU H 1 43 LEU HB3 . . 3.949 3.103 2.986 3.248 . 0 0 "[ . 1]" 1
805 1 43 LEU H 1 44 ALA H . . 3.718 2.471 2.259 2.605 . 0 0 "[ . 1]" 1
806 1 43 LEU H 1 44 ALA HA . . 5.676 4.951 4.744 5.132 . 0 0 "[ . 1]" 1
807 1 43 LEU H 1 44 ALA MB . . 5.137 4.118 3.927 4.247 . 0 0 "[ . 1]" 1
808 1 43 LEU H 1 45 LYS H . . 5.566 4.415 4.265 4.610 . 0 0 "[ . 1]" 1
809 1 43 LEU H 1 48 VAL MG2 . . 5.412 4.635 4.440 5.280 . 0 0 "[ . 1]" 1
810 1 43 LEU HA 1 43 LEU MD1 . . 4.664 3.231 1.949 3.791 . 0 0 "[ . 1]" 1
811 1 43 LEU HA 1 43 LEU QD . . 3.905 2.078 1.853 2.222 . 0 0 "[ . 1]" 1
812 1 43 LEU HA 1 43 LEU MD2 . . 4.664 2.237 2.121 2.481 . 0 0 "[ . 1]" 1
813 1 43 LEU HA 1 43 LEU HG . . 4.466 2.906 2.479 3.654 . 0 0 "[ . 1]" 1
814 1 43 LEU HB2 1 44 ALA H . . 5.137 3.727 3.579 3.830 . 0 0 "[ . 1]" 1
815 1 43 LEU HB3 1 44 ALA H . . 3.960 3.435 3.388 3.556 . 0 0 "[ . 1]" 1
816 1 43 LEU HB3 1 45 LYS H . . 5.533 4.844 4.702 4.947 . 0 0 "[ . 1]" 1
817 1 43 LEU HB3 1 48 VAL MG2 . . 3.872 2.079 1.893 3.181 . 0 0 "[ . 1]" 1
818 1 43 LEU QD 1 44 ALA H . . 5.423 4.106 4.000 4.211 . 0 0 "[ . 1]" 1
819 1 43 LEU QD 1 45 LYS H . . 4.532 4.085 3.635 4.285 . 0 0 "[ . 1]" 1
820 1 43 LEU QD 1 45 LYS HA . . 5.984 5.749 5.492 5.969 . 0 0 "[ . 1]" 1
821 1 43 LEU QD 1 46 GLU H . . 4.411 3.333 3.069 4.456 0.045 9 0 "[ . 1]" 1
822 1 43 LEU QD 1 48 VAL MG2 . . 3.652 1.940 1.758 2.274 . 0 0 "[ . 1]" 1
823 1 43 LEU HG 1 45 LYS H . . 6.050 6.069 5.933 6.310 0.260 8 0 "[ . 1]" 1
824 1 43 LEU HG 1 48 VAL MG2 . . 4.752 3.724 2.862 4.129 . 0 0 "[ . 1]" 1
825 1 44 ALA H 1 44 ALA MB . . 3.465 2.170 2.094 2.230 . 0 0 "[ . 1]" 1
826 1 44 ALA H 1 45 LYS H . . 3.971 2.752 2.666 2.910 . 0 0 "[ . 1]" 1
827 1 44 ALA H 1 48 VAL MG1 . . 5.500 5.297 4.915 5.524 0.024 6 0 "[ . 1]" 1
828 1 44 ALA HA 1 45 LYS H . . 3.828 3.397 2.971 3.476 . 0 0 "[ . 1]" 1
829 1 44 ALA HA 1 48 VAL MG2 . . 4.466 2.995 2.068 3.522 . 0 0 "[ . 1]" 1
830 1 44 ALA MB 1 45 LYS H . . 4.290 3.006 2.854 3.601 . 0 0 "[ . 1]" 1
831 1 45 LYS H 1 45 LYS HB2 . . 3.949 2.620 2.075 3.589 . 0 0 "[ . 1]" 1
832 1 45 LYS H 1 45 LYS QB . . 3.443 2.252 2.048 2.544 . 0 0 "[ . 1]" 1
833 1 45 LYS H 1 45 LYS HB3 . . 3.949 3.110 2.405 3.588 . 0 0 "[ . 1]" 1
834 1 45 LYS H 1 45 LYS QD . . 4.917 3.936 2.980 4.648 . 0 0 "[ . 1]" 1
835 1 45 LYS H 1 45 LYS QE . . 4.367 3.957 3.364 4.335 . 0 0 "[ . 1]" 1
836 1 45 LYS H 1 45 LYS HG2 . . 5.599 3.465 2.275 4.600 . 0 0 "[ . 1]" 1
837 1 45 LYS H 1 45 LYS QG . . 4.642 2.850 2.193 3.922 . 0 0 "[ . 1]" 1
838 1 45 LYS H 1 45 LYS HG3 . . 5.599 3.320 2.575 4.252 . 0 0 "[ . 1]" 1
839 1 45 LYS H 1 48 VAL HB . . 6.050 5.598 5.178 5.862 . 0 0 "[ . 1]" 1
840 1 45 LYS H 1 48 VAL MG2 . . 5.478 4.389 3.571 4.707 . 0 0 "[ . 1]" 1
841 1 45 LYS HA 1 45 LYS HE2 . . 5.742 4.751 2.523 5.357 . 0 0 "[ . 1]" 1
842 1 45 LYS HA 1 45 LYS QE . . 5.016 4.225 2.505 4.699 . 0 0 "[ . 1]" 1
843 1 45 LYS HA 1 45 LYS HE3 . . 5.742 4.904 4.250 5.499 . 0 0 "[ . 1]" 1
844 1 45 LYS HA 1 46 GLU QG . . 5.786 5.168 4.672 5.792 0.006 2 0 "[ . 1]" 1
845 1 45 LYS QB 1 45 LYS QE . . 4.543 2.470 2.014 3.295 . 0 0 "[ . 1]" 1
846 1 45 LYS QB 1 46 GLU H . . 4.510 3.184 2.952 3.626 . 0 0 "[ . 1]" 1
847 1 45 LYS QB 1 48 VAL MG2 . . 5.874 5.252 4.573 5.884 0.010 6 0 "[ . 1]" 1
848 1 45 LYS HB2 1 46 GLU H . . 5.203 3.535 3.044 4.067 . 0 0 "[ . 1]" 1
849 1 45 LYS HB3 1 46 GLU H . . 5.203 3.707 3.168 4.114 . 0 0 "[ . 1]" 1
850 1 45 LYS QG 1 46 GLU H . . 5.115 3.824 2.236 4.601 . 0 0 "[ . 1]" 1
851 1 45 LYS HG2 1 46 GLU H . . 6.050 4.440 2.272 5.381 . 0 0 "[ . 1]" 1
852 1 45 LYS HG3 1 46 GLU H . . 6.050 4.291 2.392 5.276 . 0 0 "[ . 1]" 1
853 1 46 GLU H 1 46 GLU HB2 . . 4.180 2.665 2.233 3.752 . 0 0 "[ . 1]" 1
854 1 46 GLU H 1 46 GLU HB3 . . 4.180 3.393 2.622 3.696 . 0 0 "[ . 1]" 1
855 1 46 GLU H 1 46 GLU QG . . 4.653 2.912 2.273 3.810 . 0 0 "[ . 1]" 1
856 1 46 GLU HA 1 46 GLU QG . . 3.861 2.653 2.087 3.405 . 0 0 "[ . 1]" 1
857 1 46 GLU HA 1 47 GLY H . . 3.190 3.012 2.925 3.298 0.108 5 0 "[ . 1]" 1
858 1 46 GLU HA 1 48 VAL H . . 4.961 4.976 4.966 5.001 0.040 5 0 "[ . 1]" 1
859 1 46 GLU QB 1 47 GLY H . . 4.829 3.774 3.689 4.018 . 0 0 "[ . 1]" 1
860 1 46 GLU QG 1 47 GLY H . . 5.159 4.311 2.799 4.682 . 0 0 "[ . 1]" 1
861 1 47 GLY H 1 48 VAL H . . 3.586 2.831 2.301 2.922 . 0 0 "[ . 1]" 1
862 1 47 GLY H 1 48 VAL HB . . 6.050 5.156 4.489 5.291 . 0 0 "[ . 1]" 1
863 1 47 GLY H 1 48 VAL MG2 . . 5.907 3.897 3.726 4.145 . 0 0 "[ . 1]" 1
864 1 47 GLY QA 1 48 VAL H . . 3.421 2.651 2.630 2.784 . 0 0 "[ . 1]" 1
865 1 48 VAL H 1 48 VAL HB . . 3.179 2.483 2.416 2.535 . 0 0 "[ . 1]" 1
866 1 48 VAL H 1 48 VAL MG1 . . 4.477 3.762 3.743 3.771 . 0 0 "[ . 1]" 1
867 1 48 VAL H 1 48 VAL MG2 . . 3.487 2.250 2.057 2.487 . 0 0 "[ . 1]" 1
868 1 48 VAL H 1 49 VAL H . . 5.225 4.611 4.596 4.627 . 0 0 "[ . 1]" 1
869 1 48 VAL HA 1 48 VAL MG1 . . 3.432 2.363 2.315 2.414 . 0 0 "[ . 1]" 1
870 1 48 VAL HA 1 48 VAL MG2 . . 3.465 2.352 2.186 2.417 . 0 0 "[ . 1]" 1
871 1 48 VAL HA 1 49 VAL H . . 3.146 2.229 2.213 2.236 . 0 0 "[ . 1]" 1
872 1 48 VAL HA 1 49 VAL MG1 . . 5.082 3.813 3.695 3.945 . 0 0 "[ . 1]" 1
873 1 48 VAL HA 1 49 VAL QG . . 4.367 3.409 3.355 3.474 . 0 0 "[ . 1]" 1
874 1 48 VAL HA 1 49 VAL MG2 . . 5.082 3.845 3.764 3.897 . 0 0 "[ . 1]" 1
875 1 48 VAL HA 1 54 VAL MG2 . . 6.050 4.868 4.471 5.230 . 0 0 "[ . 1]" 1
876 1 48 VAL HB 1 49 VAL H . . 5.236 3.970 3.932 4.067 . 0 0 "[ . 1]" 1
877 1 48 VAL MG1 1 49 VAL H . . 4.554 2.129 1.974 2.236 . 0 0 "[ . 1]" 1
878 1 48 VAL MG1 1 49 VAL HA . . 5.489 3.963 3.881 4.028 . 0 0 "[ . 1]" 1
879 1 48 VAL MG1 1 49 VAL HB . . 5.500 4.577 4.505 4.705 . 0 0 "[ . 1]" 1
880 1 48 VAL MG1 1 54 VAL HA . . 6.028 4.648 4.476 4.867 . 0 0 "[ . 1]" 1
881 1 48 VAL MG2 1 49 VAL H . . 4.675 3.845 3.780 3.891 . 0 0 "[ . 1]" 1
882 1 49 VAL H 1 49 VAL MG1 . . 3.971 2.432 2.284 2.637 . 0 0 "[ . 1]" 1
883 1 49 VAL H 1 49 VAL QG . . 3.135 1.949 1.862 2.013 . 0 0 "[ . 1]" 1
884 1 49 VAL H 1 49 VAL MG2 . . 3.971 2.060 1.940 2.170 . 0 0 "[ . 1]" 1
885 1 49 VAL HA 1 49 VAL QG . . 2.926 2.231 2.125 2.297 . 0 0 "[ . 1]" 1
886 1 49 VAL QG 1 50 GLU H . . 3.487 3.035 2.982 3.065 . 0 0 "[ . 1]" 1
887 1 49 VAL QG 1 50 GLU HA . . 5.522 4.379 4.297 4.427 . 0 0 "[ . 1]" 1
888 1 49 VAL QG 1 50 GLU QG . . 4.147 3.197 3.090 3.335 . 0 0 "[ . 1]" 1
889 1 49 VAL QG 1 52 GLU H . . 5.984 5.300 5.046 5.646 . 0 0 "[ . 1]" 1
890 1 49 VAL QG 1 53 VAL H . . 5.731 3.846 3.696 4.130 . 0 0 "[ . 1]" 1
891 1 49 VAL QG 1 53 VAL HB . . 4.785 2.300 2.151 2.488 . 0 0 "[ . 1]" 1
892 1 49 VAL MG1 1 50 GLU H . . 4.092 3.501 3.455 3.586 . 0 0 "[ . 1]" 1
893 1 49 VAL MG1 1 50 GLU HG2 . . 5.709 4.406 4.234 4.492 . 0 0 "[ . 1]" 1
894 1 49 VAL MG1 1 50 GLU HG3 . . 5.709 5.300 4.584 5.701 . 0 0 "[ . 1]" 1
895 1 49 VAL MG2 1 50 GLU H . . 4.092 3.332 3.188 3.420 . 0 0 "[ . 1]" 1
896 1 49 VAL MG2 1 50 GLU HG2 . . 5.709 3.704 3.314 4.329 . 0 0 "[ . 1]" 1
897 1 49 VAL MG2 1 50 GLU HG3 . . 5.709 4.295 3.369 5.011 . 0 0 "[ . 1]" 1
898 1 50 GLU H 1 50 GLU HB2 . . 4.213 3.581 3.579 3.582 . 0 0 "[ . 1]" 1
899 1 50 GLU H 1 50 GLU HB3 . . 3.795 2.741 2.727 2.751 . 0 0 "[ . 1]" 1
900 1 50 GLU H 1 50 GLU HG2 . . 4.422 2.219 1.958 2.356 . 0 0 "[ . 1]" 1
901 1 50 GLU H 1 50 GLU QG . . 3.696 2.168 1.922 2.327 . 0 0 "[ . 1]" 1
902 1 50 GLU H 1 50 GLU HG3 . . 4.422 3.215 2.491 3.612 . 0 0 "[ . 1]" 1
903 1 50 GLU H 1 51 PRO QD . . 5.247 4.322 4.319 4.327 . 0 0 "[ . 1]" 1
904 1 50 GLU H 1 52 GLU H . . 6.050 5.261 5.014 5.580 . 0 0 "[ . 1]" 1
905 1 50 GLU H 1 53 VAL H . . 6.039 5.057 4.933 5.211 . 0 0 "[ . 1]" 1
906 1 50 GLU H 1 53 VAL HB . . 5.709 4.998 4.412 5.533 . 0 0 "[ . 1]" 1
907 1 50 GLU H 1 53 VAL QG . . 4.213 4.028 3.777 4.148 . 0 0 "[ . 1]" 1
908 1 50 GLU HA 1 50 GLU HG2 . . 4.224 3.645 3.565 3.796 . 0 0 "[ . 1]" 1
909 1 50 GLU HA 1 50 GLU HG3 . . 4.224 3.994 3.631 4.217 . 0 0 "[ . 1]" 1
910 1 50 GLU HA 1 51 PRO HD2 . . 3.465 2.476 2.461 2.486 . 0 0 "[ . 1]" 1
911 1 50 GLU HA 1 51 PRO HD3 . . 3.465 2.330 2.323 2.336 . 0 0 "[ . 1]" 1
912 1 50 GLU HA 1 51 PRO HG3 . . 5.434 4.518 4.508 4.525 . 0 0 "[ . 1]" 1
913 1 50 GLU HA 1 52 GLU H . . 5.137 4.101 3.983 4.265 . 0 0 "[ . 1]" 1
914 1 50 GLU HB2 1 51 PRO QD . . 3.795 1.933 1.921 1.952 . 0 0 "[ . 1]" 1
915 1 50 GLU HB2 1 52 GLU H . . 4.730 2.428 2.330 2.625 . 0 0 "[ . 1]" 1
916 1 50 GLU HB2 1 53 VAL H . . 4.895 4.008 3.696 4.259 . 0 0 "[ . 1]" 1
917 1 50 GLU HB2 1 53 VAL QG . . 4.587 4.324 4.033 4.589 0.002 9 0 "[ . 1]" 1
918 1 50 GLU HB3 1 53 VAL QG . . 5.280 4.843 4.456 5.143 . 0 0 "[ . 1]" 1
919 1 50 GLU QG 1 52 GLU H . . 5.049 3.272 3.045 3.497 . 0 0 "[ . 1]" 1
920 1 50 GLU QG 1 53 VAL H . . 3.619 2.965 2.724 3.242 . 0 0 "[ . 1]" 1
921 1 50 GLU QG 1 53 VAL QG . . 3.586 2.277 2.009 2.586 . 0 0 "[ . 1]" 1
922 1 51 PRO HA 1 54 VAL H . . 4.400 3.125 3.002 3.322 . 0 0 "[ . 1]" 1
923 1 51 PRO HA 1 54 VAL HB . . 5.005 2.388 2.286 2.585 . 0 0 "[ . 1]" 1
924 1 51 PRO HA 1 54 VAL MG1 . . 5.687 3.858 3.725 4.017 . 0 0 "[ . 1]" 1
925 1 51 PRO HA 1 54 VAL MG2 . . 3.883 2.472 2.054 2.851 . 0 0 "[ . 1]" 1
926 1 51 PRO HA 1 55 ARG H . . 5.104 3.951 3.673 4.163 . 0 0 "[ . 1]" 1
927 1 51 PRO HB2 1 52 GLU HA . . 5.709 4.156 4.048 4.233 . 0 0 "[ . 1]" 1
928 1 51 PRO HB2 1 54 VAL MG2 . . 6.050 4.800 4.465 5.171 . 0 0 "[ . 1]" 1
929 1 51 PRO HB3 1 52 GLU H . . 4.950 4.247 4.107 4.354 . 0 0 "[ . 1]" 1
930 1 51 PRO QD 1 52 GLU H . . 3.971 2.642 2.602 2.710 . 0 0 "[ . 1]" 1
931 1 51 PRO QD 1 53 VAL QG . . 5.885 5.212 5.035 5.368 . 0 0 "[ . 1]" 1
932 1 51 PRO HG3 1 52 GLU H . . 4.763 4.065 3.828 4.267 . 0 0 "[ . 1]" 1
933 1 52 GLU H 1 52 GLU HB2 . . 3.817 2.189 2.067 2.388 . 0 0 "[ . 1]" 1
934 1 52 GLU H 1 52 GLU QB . . 3.025 2.133 2.046 2.230 . 0 0 "[ . 1]" 1
935 1 52 GLU H 1 52 GLU HB3 . . 3.817 3.091 2.673 3.511 . 0 0 "[ . 1]" 1
936 1 52 GLU H 1 52 GLU HG2 . . 5.236 4.202 2.846 4.651 . 0 0 "[ . 1]" 1
937 1 52 GLU H 1 52 GLU HG3 . . 5.236 3.935 3.026 4.481 . 0 0 "[ . 1]" 1
938 1 52 GLU H 1 53 VAL H . . 3.949 2.758 2.686 2.786 . 0 0 "[ . 1]" 1
939 1 52 GLU H 1 53 VAL HA . . 5.830 5.367 5.313 5.388 . 0 0 "[ . 1]" 1
940 1 52 GLU H 1 53 VAL QG . . 4.642 4.156 4.012 4.300 . 0 0 "[ . 1]" 1
941 1 52 GLU H 1 54 VAL H . . 5.742 4.323 4.216 4.448 . 0 0 "[ . 1]" 1
942 1 52 GLU H 1 55 ARG H . . 6.050 4.948 4.778 5.102 . 0 0 "[ . 1]" 1
943 1 52 GLU HA 1 53 VAL H . . 3.850 3.506 3.487 3.517 . 0 0 "[ . 1]" 1
944 1 52 GLU HA 1 55 ARG H . . 4.609 4.075 4.020 4.120 . 0 0 "[ . 1]" 1
945 1 52 GLU HA 1 55 ARG HB2 . . 4.664 3.887 3.645 4.347 . 0 0 "[ . 1]" 1
946 1 52 GLU HA 1 55 ARG HB3 . . 4.235 3.646 3.331 3.912 . 0 0 "[ . 1]" 1
947 1 52 GLU QB 1 53 VAL H . . 3.773 2.767 2.658 2.813 . 0 0 "[ . 1]" 1
948 1 52 GLU QB 1 53 VAL QG . . 4.928 2.913 2.806 3.031 . 0 0 "[ . 1]" 1
949 1 52 GLU HB2 1 53 VAL H . . 4.730 3.484 2.963 3.934 . 0 0 "[ . 1]" 1
950 1 52 GLU HB3 1 53 VAL H . . 4.730 2.983 2.719 3.406 . 0 0 "[ . 1]" 1
951 1 52 GLU QG 1 53 VAL H . . 4.554 4.339 4.049 4.514 . 0 0 "[ . 1]" 1
952 1 52 GLU HG2 1 53 VAL H . . 5.324 4.760 4.476 5.003 . 0 0 "[ . 1]" 1
953 1 52 GLU HG2 1 53 VAL QG . . 5.731 4.671 3.941 5.374 . 0 0 "[ . 1]" 1
954 1 52 GLU HG3 1 53 VAL H . . 5.324 5.037 4.487 5.319 . 0 0 "[ . 1]" 1
955 1 52 GLU HG3 1 53 VAL QG . . 5.731 5.083 4.451 5.404 . 0 0 "[ . 1]" 1
956 1 53 VAL H 1 53 VAL HB . . 3.377 2.553 2.500 2.612 . 0 0 "[ . 1]" 1
957 1 53 VAL H 1 53 VAL QG . . 3.366 2.349 2.168 2.484 . 0 0 "[ . 1]" 1
958 1 53 VAL H 1 55 ARG H . . 5.588 3.786 3.706 3.911 . 0 0 "[ . 1]" 1
959 1 53 VAL H 1 56 GLN H . . 6.050 5.196 4.966 5.429 . 0 0 "[ . 1]" 1
960 1 53 VAL HA 1 53 VAL QG . . 3.047 2.066 2.042 2.123 . 0 0 "[ . 1]" 1
961 1 53 VAL HA 1 56 GLN H . . 4.290 3.518 3.315 3.715 . 0 0 "[ . 1]" 1
962 1 53 VAL HA 1 56 GLN QB . . 3.905 3.415 3.055 3.684 . 0 0 "[ . 1]" 1
963 1 53 VAL HA 1 56 GLN QG . . 5.797 5.077 4.674 5.388 . 0 0 "[ . 1]" 1
964 1 53 VAL HA 1 57 ILE H . . 5.104 4.235 3.789 4.750 . 0 0 "[ . 1]" 1
965 1 53 VAL HB 1 54 VAL H . . 3.817 2.467 2.341 2.608 . 0 0 "[ . 1]" 1
966 1 53 VAL HB 1 54 VAL MG2 . . 4.939 3.204 3.088 3.353 . 0 0 "[ . 1]" 1
967 1 53 VAL HB 1 55 ARG H . . 6.050 4.775 4.697 4.887 . 0 0 "[ . 1]" 1
968 1 53 VAL QG 1 54 VAL H . . 5.148 3.178 3.127 3.230 . 0 0 "[ . 1]" 1
969 1 53 VAL QG 1 54 VAL HA . . 4.741 3.547 3.364 3.635 . 0 0 "[ . 1]" 1
970 1 53 VAL QG 1 56 GLN QB . . 5.324 3.494 3.272 3.719 . 0 0 "[ . 1]" 1
971 1 53 VAL QG 1 57 ILE H . . 4.510 3.573 3.290 4.144 . 0 0 "[ . 1]" 1
972 1 53 VAL QG 1 57 ILE MD . . 4.609 2.707 2.493 3.114 . 0 0 "[ . 1]" 1
973 1 54 VAL H 1 54 VAL HB . . 3.740 2.628 2.600 2.683 . 0 0 "[ . 1]" 1
974 1 54 VAL H 1 54 VAL MG2 . . 3.212 2.027 1.926 2.143 . 0 0 "[ . 1]" 1
975 1 54 VAL H 1 55 ARG H . . 3.344 2.761 2.689 2.781 . 0 0 "[ . 1]" 1
976 1 54 VAL H 1 55 ARG HA . . 6.050 5.323 5.266 5.360 . 0 0 "[ . 1]" 1
977 1 54 VAL H 1 55 ARG HB2 . . 5.874 5.155 4.990 5.298 . 0 0 "[ . 1]" 1
978 1 54 VAL H 1 55 ARG HB3 . . 5.577 4.971 4.888 5.135 . 0 0 "[ . 1]" 1
979 1 54 VAL H 1 56 GLN H . . 5.533 4.595 4.368 4.931 . 0 0 "[ . 1]" 1
980 1 54 VAL H 1 57 ILE H . . 5.709 4.807 4.704 4.973 . 0 0 "[ . 1]" 1
981 1 54 VAL H 1 57 ILE MD . . 6.050 5.746 5.333 6.064 0.014 7 0 "[ . 1]" 1
982 1 54 VAL H 1 57 ILE HG12 . . 5.478 4.617 4.235 4.953 . 0 0 "[ . 1]" 1
983 1 54 VAL HA 1 54 VAL MG2 . . 3.729 2.387 2.324 2.434 . 0 0 "[ . 1]" 1
984 1 54 VAL HA 1 57 ILE H . . 4.092 3.420 3.017 3.770 . 0 0 "[ . 1]" 1
985 1 54 VAL HA 1 57 ILE HB . . 3.740 2.362 2.109 2.723 . 0 0 "[ . 1]" 1
986 1 54 VAL HA 1 57 ILE MD . . 5.412 4.579 3.977 5.039 . 0 0 "[ . 1]" 1
987 1 54 VAL HA 1 57 ILE HG12 . . 4.598 3.379 2.584 3.911 . 0 0 "[ . 1]" 1
988 1 54 VAL HA 1 57 ILE HG13 . . 5.115 3.334 2.593 3.956 . 0 0 "[ . 1]" 1
989 1 54 VAL HA 1 57 ILE MG . . 4.598 3.755 3.580 4.022 . 0 0 "[ . 1]" 1
990 1 54 VAL HA 1 58 ALA H . . 4.609 3.591 3.334 3.929 . 0 0 "[ . 1]" 1
991 1 54 VAL HB 1 55 ARG H . . 3.707 2.899 2.867 3.040 . 0 0 "[ . 1]" 1
992 1 54 VAL MG1 1 55 ARG H . . 4.290 3.716 3.640 3.814 . 0 0 "[ . 1]" 1
993 1 54 VAL MG1 1 55 ARG HA . . 5.313 3.684 3.548 3.741 . 0 0 "[ . 1]" 1
994 1 54 VAL MG1 1 55 ARG HB2 . . 6.050 4.910 4.653 5.006 . 0 0 "[ . 1]" 1
995 1 54 VAL MG1 1 57 ILE MD . . 6.050 5.524 4.938 6.011 . 0 0 "[ . 1]" 1
996 1 54 VAL MG1 1 57 ILE MG . . 5.390 3.999 3.534 4.499 . 0 0 "[ . 1]" 1
997 1 54 VAL MG2 1 55 ARG H . . 4.279 3.901 3.862 3.936 . 0 0 "[ . 1]" 1
998 1 54 VAL MG2 1 57 ILE MG . . 5.808 4.548 4.216 5.012 . 0 0 "[ . 1]" 1
999 1 55 ARG H 1 55 ARG HB2 . . 3.377 2.593 2.424 2.708 . 0 0 "[ . 1]" 1
1000 1 55 ARG H 1 55 ARG HB3 . . 3.190 2.465 2.373 2.625 . 0 0 "[ . 1]" 1
1001 1 55 ARG HA 1 58 ALA H . . 4.708 3.950 3.472 4.175 . 0 0 "[ . 1]" 1
1002 1 55 ARG HA 1 58 ALA MB . . 3.960 3.107 2.545 3.491 . 0 0 "[ . 1]" 1
1003 1 55 ARG HA 1 59 ILE MD . . 5.225 4.130 3.588 4.554 . 0 0 "[ . 1]" 1
1004 1 55 ARG HB2 1 56 GLN H . . 4.631 3.848 3.570 3.973 . 0 0 "[ . 1]" 1
1005 1 55 ARG HB2 1 64 TRP HZ3 . . 5.313 4.568 4.285 5.033 . 0 0 "[ . 1]" 1
1006 1 55 ARG HB3 1 56 GLN H . . 3.630 2.492 2.105 2.677 . 0 0 "[ . 1]" 1
1007 1 55 ARG QD 1 59 ILE MD . . 5.258 4.215 3.425 4.812 . 0 0 "[ . 1]" 1
1008 1 55 ARG QD 1 64 TRP HH2 . . 5.698 3.717 3.349 4.322 . 0 0 "[ . 1]" 1
1009 1 55 ARG QD 1 64 TRP HZ3 . . 4.004 3.100 2.466 3.599 . 0 0 "[ . 1]" 1
1010 1 55 ARG QG 1 56 GLN H . . 4.642 3.377 2.886 3.742 . 0 0 "[ . 1]" 1
1011 1 55 ARG QG 1 56 GLN HA . . 5.544 3.541 3.212 3.771 . 0 0 "[ . 1]" 1
1012 1 55 ARG QG 1 59 ILE MD . . 4.378 2.611 1.892 3.048 . 0 0 "[ . 1]" 1
1013 1 55 ARG QG 1 64 TRP HZ3 . . 4.851 2.184 1.975 2.785 . 0 0 "[ . 1]" 1
1014 1 56 GLN H 1 56 GLN QB . . 3.025 2.229 2.040 2.299 . 0 0 "[ . 1]" 1
1015 1 56 GLN H 1 56 GLN QG . . 4.576 3.920 3.406 4.064 . 0 0 "[ . 1]" 1
1016 1 56 GLN H 1 57 ILE H . . 4.048 2.500 2.329 2.791 . 0 0 "[ . 1]" 1
1017 1 56 GLN H 1 57 ILE HB . . 5.445 4.713 4.571 5.053 . 0 0 "[ . 1]" 1
1018 1 56 GLN H 1 59 ILE MD . . 5.412 3.931 3.337 4.286 . 0 0 "[ . 1]" 1
1019 1 56 GLN HA 1 56 GLN QE . . 4.598 2.821 2.278 3.289 . 0 0 "[ . 1]" 1
1020 1 56 GLN HA 1 59 ILE H . . 4.070 3.528 3.411 3.694 . 0 0 "[ . 1]" 1
1021 1 56 GLN HA 1 59 ILE HB . . 3.630 3.016 2.767 3.335 . 0 0 "[ . 1]" 1
1022 1 56 GLN HA 1 59 ILE MD . . 3.773 1.971 1.884 2.124 . 0 0 "[ . 1]" 1
1023 1 56 GLN HA 1 59 ILE HG12 . . 5.324 4.350 4.221 4.509 . 0 0 "[ . 1]" 1
1024 1 56 GLN HA 1 59 ILE MG . . 4.741 4.215 4.023 4.449 . 0 0 "[ . 1]" 1
1025 1 56 GLN HA 1 60 THR H . . 4.928 4.532 4.307 4.796 . 0 0 "[ . 1]" 1
1026 1 56 GLN HA 1 60 THR MG . . 5.929 4.464 3.874 5.104 . 0 0 "[ . 1]" 1
1027 1 56 GLN QB 1 57 ILE H . . 3.850 2.647 2.407 2.903 . 0 0 "[ . 1]" 1
1028 1 56 GLN QB 1 60 THR MG . . 5.588 4.290 3.612 4.716 . 0 0 "[ . 1]" 1
1029 1 56 GLN QE 1 59 ILE H . . 5.544 4.091 3.815 4.334 . 0 0 "[ . 1]" 1
1030 1 56 GLN QE 1 59 ILE MD . . 4.180 2.586 2.134 3.538 . 0 0 "[ . 1]" 1
1031 1 56 GLN QE 1 59 ILE HG12 . . 5.533 4.721 4.238 5.536 0.003 4 0 "[ . 1]" 1
1032 1 56 GLN QE 1 59 ILE MG . . 4.961 2.859 2.264 3.427 . 0 0 "[ . 1]" 1
1033 1 56 GLN QE 1 60 THR H . . 5.324 3.365 2.955 3.757 . 0 0 "[ . 1]" 1
1034 1 56 GLN QE 1 60 THR HA . . 5.874 4.618 3.892 5.041 . 0 0 "[ . 1]" 1
1035 1 56 GLN QE 1 60 THR HB . . 5.874 3.827 2.346 5.159 . 0 0 "[ . 1]" 1
1036 1 56 GLN QE 1 60 THR MG . . 4.818 2.481 1.958 3.647 . 0 0 "[ . 1]" 1
1037 1 56 GLN QE 1 61 ARG H . . 5.874 5.554 5.080 5.875 0.001 2 0 "[ . 1]" 1
1038 1 56 GLN HE21 1 59 ILE MD . . 4.763 3.078 2.401 4.296 . 0 0 "[ . 1]" 1
1039 1 56 GLN HE22 1 59 ILE MD . . 4.763 3.008 2.247 3.984 . 0 0 "[ . 1]" 1
1040 1 56 GLN QG 1 57 ILE H . . 5.203 3.936 3.355 4.562 . 0 0 "[ . 1]" 1
1041 1 56 GLN QG 1 59 ILE MD . . 4.873 3.541 2.580 4.064 . 0 0 "[ . 1]" 1
1042 1 56 GLN QG 1 59 ILE MG . . 5.577 4.775 4.367 5.253 . 0 0 "[ . 1]" 1
1043 1 56 GLN QG 1 60 THR H . . 5.775 4.668 3.998 5.564 . 0 0 "[ . 1]" 1
1044 1 56 GLN QG 1 60 THR MG . . 4.499 3.401 2.412 4.507 0.008 4 0 "[ . 1]" 1
1045 1 57 ILE H 1 57 ILE HB . . 3.410 2.544 2.492 2.583 . 0 0 "[ . 1]" 1
1046 1 57 ILE H 1 57 ILE MD . . 4.554 3.289 3.191 3.452 . 0 0 "[ . 1]" 1
1047 1 57 ILE H 1 57 ILE HG12 . . 3.718 2.096 2.014 2.258 . 0 0 "[ . 1]" 1
1048 1 57 ILE H 1 57 ILE HG13 . . 4.345 3.559 3.514 3.658 . 0 0 "[ . 1]" 1
1049 1 57 ILE H 1 57 ILE MG . . 4.565 3.764 3.763 3.767 . 0 0 "[ . 1]" 1
1050 1 57 ILE H 1 58 ALA H . . 3.498 2.723 2.579 2.799 . 0 0 "[ . 1]" 1
1051 1 57 ILE H 1 58 ALA MB . . 5.335 4.309 4.159 4.422 . 0 0 "[ . 1]" 1
1052 1 57 ILE H 1 59 ILE H . . 6.050 3.917 3.694 4.054 . 0 0 "[ . 1]" 1
1053 1 57 ILE HA 1 57 ILE MD . . 3.355 1.996 1.973 2.047 . 0 0 "[ . 1]" 1
1054 1 57 ILE HA 1 57 ILE HG12 . . 4.235 3.004 2.985 3.016 . 0 0 "[ . 1]" 1
1055 1 57 ILE HA 1 60 THR H . . 4.719 3.351 3.287 3.452 . 0 0 "[ . 1]" 1
1056 1 57 ILE HA 1 60 THR HB . . 5.335 4.842 4.399 5.182 . 0 0 "[ . 1]" 1
1057 1 57 ILE HA 1 61 ARG H . . 4.884 4.300 4.237 4.330 . 0 0 "[ . 1]" 1
1058 1 57 ILE HA 1 61 ARG QB . . 5.060 4.375 4.323 4.413 . 0 0 "[ . 1]" 1
1059 1 57 ILE HA 1 61 ARG QG . . 4.103 3.164 3.069 3.252 . 0 0 "[ . 1]" 1
1060 1 57 ILE HB 1 58 ALA H . . 3.971 2.536 2.387 2.658 . 0 0 "[ . 1]" 1
1061 1 57 ILE MD 1 57 ILE MG . . 3.872 2.036 1.984 2.076 . 0 0 "[ . 1]" 1
1062 1 57 ILE MD 1 58 ALA H . . 5.225 4.647 4.612 4.667 . 0 0 "[ . 1]" 1
1063 1 57 ILE MD 1 61 ARG QB . . 6.050 4.890 4.837 4.952 . 0 0 "[ . 1]" 1
1064 1 57 ILE MD 1 61 ARG HD2 . . 6.006 5.669 5.431 5.780 . 0 0 "[ . 1]" 1
1065 1 57 ILE MD 1 61 ARG QD . . 5.291 4.675 4.172 5.032 . 0 0 "[ . 1]" 1
1066 1 57 ILE MD 1 61 ARG HD3 . . 6.006 5.000 4.334 5.597 . 0 0 "[ . 1]" 1
1067 1 57 ILE MD 1 61 ARG QG . . 5.214 3.395 3.316 3.549 . 0 0 "[ . 1]" 1
1068 1 57 ILE HG12 1 58 ALA H . . 5.324 4.200 4.163 4.227 . 0 0 "[ . 1]" 1
1069 1 57 ILE HG13 1 58 ALA H . . 5.654 4.857 4.746 4.946 . 0 0 "[ . 1]" 1
1070 1 57 ILE MG 1 58 ALA H . . 4.015 3.368 3.221 3.491 . 0 0 "[ . 1]" 1
1071 1 57 ILE MG 1 58 ALA HA . . 4.807 3.413 3.333 3.497 . 0 0 "[ . 1]" 1
1072 1 57 ILE MG 1 61 ARG H . . 5.258 4.149 4.038 4.261 . 0 0 "[ . 1]" 1
1073 1 57 ILE MG 1 61 ARG QB . . 4.048 2.802 2.729 2.862 . 0 0 "[ . 1]" 1
1074 1 57 ILE MG 1 61 ARG HD2 . . 5.346 4.113 4.058 4.343 . 0 0 "[ . 1]" 1
1075 1 57 ILE MG 1 61 ARG QD . . 4.697 3.560 3.381 3.727 . 0 0 "[ . 1]" 1
1076 1 57 ILE MG 1 61 ARG HD3 . . 5.346 3.935 3.526 4.327 . 0 0 "[ . 1]" 1
1077 1 57 ILE MG 1 61 ARG QG . . 4.752 1.873 1.795 1.956 . 0 0 "[ . 1]" 1
1078 1 57 ILE MG 1 62 LEU H . . 5.709 4.696 4.652 4.754 . 0 0 "[ . 1]" 1
1079 1 57 ILE MG 1 62 LEU MD1 . . 5.588 5.504 4.900 5.593 0.005 7 0 "[ . 1]" 1
1080 1 58 ALA H 1 58 ALA MB . . 2.981 2.120 2.066 2.186 . 0 0 "[ . 1]" 1
1081 1 58 ALA H 1 59 ILE H . . 3.773 2.642 2.616 2.655 . 0 0 "[ . 1]" 1
1082 1 58 ALA H 1 59 ILE MD . . 5.797 4.765 4.457 4.912 . 0 0 "[ . 1]" 1
1083 1 58 ALA H 1 59 ILE HG13 . . 4.510 4.113 4.020 4.226 . 0 0 "[ . 1]" 1
1084 1 58 ALA H 1 60 THR H . . 5.214 4.439 4.346 4.494 . 0 0 "[ . 1]" 1
1085 1 58 ALA H 1 61 ARG H . . 6.050 4.820 4.793 4.830 . 0 0 "[ . 1]" 1
1086 1 58 ALA H 1 62 LEU H . . 5.720 5.029 4.982 5.106 . 0 0 "[ . 1]" 1
1087 1 58 ALA H 1 64 TRP HB2 . . 6.050 5.908 5.815 6.055 0.005 7 0 "[ . 1]" 1
1088 1 58 ALA HA 1 61 ARG H . . 5.203 3.531 3.505 3.565 . 0 0 "[ . 1]" 1
1089 1 58 ALA HA 1 61 ARG QB . . 4.125 2.620 2.566 2.715 . 0 0 "[ . 1]" 1
1090 1 58 ALA HA 1 62 LEU H . . 3.971 2.676 2.611 2.774 . 0 0 "[ . 1]" 1
1091 1 58 ALA HA 1 62 LEU HB2 . . 3.674 2.703 2.551 3.572 . 0 0 "[ . 1]" 1
1092 1 58 ALA HA 1 62 LEU HB3 . . 5.049 4.306 4.188 4.791 . 0 0 "[ . 1]" 1
1093 1 58 ALA HA 1 62 LEU MD1 . . 3.674 3.504 2.922 3.621 . 0 0 "[ . 1]" 1
1094 1 58 ALA HA 1 62 LEU HG . . 4.312 4.081 2.031 4.320 0.008 7 0 "[ . 1]" 1
1095 1 58 ALA HA 1 63 LYS H . . 5.324 5.050 4.951 5.154 . 0 0 "[ . 1]" 1
1096 1 58 ALA HA 1 64 TRP H . . 5.324 4.824 4.775 4.903 . 0 0 "[ . 1]" 1
1097 1 58 ALA HA 1 64 TRP HB2 . . 5.412 4.667 4.577 4.818 . 0 0 "[ . 1]" 1
1098 1 58 ALA MB 1 59 ILE H . . 3.432 3.028 2.985 3.051 . 0 0 "[ . 1]" 1
1099 1 58 ALA MB 1 59 ILE HA . . 6.050 3.923 3.891 3.953 . 0 0 "[ . 1]" 1
1100 1 58 ALA MB 1 59 ILE HG13 . . 5.533 3.368 3.273 3.435 . 0 0 "[ . 1]" 1
1101 1 58 ALA MB 1 62 LEU HB2 . . 4.356 2.928 2.852 3.268 . 0 0 "[ . 1]" 1
1102 1 58 ALA MB 1 62 LEU MD1 . . 3.850 2.814 2.295 2.999 . 0 0 "[ . 1]" 1
1103 1 58 ALA MB 1 64 TRP H . . 4.158 4.121 4.083 4.159 0.001 7 0 "[ . 1]" 1
1104 1 58 ALA MB 1 64 TRP HB2 . . 3.861 2.868 2.790 2.982 . 0 0 "[ . 1]" 1
1105 1 58 ALA MB 1 64 TRP HB3 . . 3.982 3.161 3.032 3.373 . 0 0 "[ . 1]" 1
1106 1 58 ALA MB 1 64 TRP HD1 . . 5.049 5.047 4.947 5.064 0.015 4 0 "[ . 1]" 1
1107 1 59 ILE H 1 59 ILE HB . . 3.355 2.498 2.485 2.524 . 0 0 "[ . 1]" 1
1108 1 59 ILE H 1 59 ILE MD . . 3.927 3.433 3.227 3.542 . 0 0 "[ . 1]" 1
1109 1 59 ILE H 1 59 ILE HG13 . . 3.454 2.343 2.263 2.427 . 0 0 "[ . 1]" 1
1110 1 59 ILE H 1 59 ILE MG . . 4.312 3.776 3.772 3.782 . 0 0 "[ . 1]" 1
1111 1 59 ILE H 1 60 THR H . . 3.960 2.435 2.391 2.473 . 0 0 "[ . 1]" 1
1112 1 59 ILE H 1 60 THR MG . . 5.357 3.794 3.568 3.953 . 0 0 "[ . 1]" 1
1113 1 59 ILE H 1 62 LEU H . . 5.126 4.202 4.180 4.248 . 0 0 "[ . 1]" 1
1114 1 59 ILE H 1 64 TRP HB3 . . 5.566 3.849 3.736 4.106 . 0 0 "[ . 1]" 1
1115 1 59 ILE HA 1 59 ILE MD . . 4.576 3.877 3.870 3.884 . 0 0 "[ . 1]" 1
1116 1 59 ILE HA 1 59 ILE HG12 . . 3.784 2.708 2.634 2.846 . 0 0 "[ . 1]" 1
1117 1 59 ILE HA 1 59 ILE MG . . 3.410 2.325 2.305 2.346 . 0 0 "[ . 1]" 1
1118 1 59 ILE HA 1 62 LEU H . . 4.774 4.005 3.978 4.036 . 0 0 "[ . 1]" 1
1119 1 59 ILE HA 1 64 TRP H . . 3.014 2.037 1.963 2.183 . 0 0 "[ . 1]" 1
1120 1 59 ILE HA 1 64 TRP HB2 . . 5.401 3.253 3.172 3.397 . 0 0 "[ . 1]" 1
1121 1 59 ILE HA 1 64 TRP HB3 . . 4.180 2.214 2.155 2.309 . 0 0 "[ . 1]" 1
1122 1 59 ILE HA 1 64 TRP HE3 . . 4.620 3.863 3.785 3.951 . 0 0 "[ . 1]" 1
1123 1 59 ILE HB 1 59 ILE MD . . 3.597 2.191 2.096 2.239 . 0 0 "[ . 1]" 1
1124 1 59 ILE HB 1 60 THR H . . 3.586 2.534 2.496 2.599 . 0 0 "[ . 1]" 1
1125 1 59 ILE HB 1 60 THR MG . . 4.796 3.358 2.761 4.091 . 0 0 "[ . 1]" 1
1126 1 59 ILE HB 1 64 TRP HE3 . . 5.379 4.611 4.528 4.708 . 0 0 "[ . 1]" 1
1127 1 59 ILE MD 1 64 TRP HE3 . . 4.312 2.833 2.695 2.913 . 0 0 "[ . 1]" 1
1128 1 59 ILE MD 1 64 TRP HZ3 . . 4.037 3.163 3.051 3.234 . 0 0 "[ . 1]" 1
1129 1 59 ILE HG12 1 59 ILE MG . . 3.410 2.199 2.112 2.260 . 0 0 "[ . 1]" 1
1130 1 59 ILE HG12 1 64 TRP HB3 . . 5.269 2.580 2.402 2.869 . 0 0 "[ . 1]" 1
1131 1 59 ILE HG12 1 64 TRP HE3 . . 3.872 2.249 1.999 2.414 . 0 0 "[ . 1]" 1
1132 1 59 ILE HG12 1 64 TRP HZ3 . . 4.609 4.081 3.755 4.270 . 0 0 "[ . 1]" 1
1133 1 59 ILE HG13 1 60 THR H . . 5.269 4.224 4.152 4.295 . 0 0 "[ . 1]" 1
1134 1 59 ILE HG13 1 64 TRP HE3 . . 4.059 2.156 1.997 2.394 . 0 0 "[ . 1]" 1
1135 1 59 ILE HG13 1 64 TRP HZ3 . . 4.587 3.971 3.846 4.221 . 0 0 "[ . 1]" 1
1136 1 59 ILE MG 1 60 THR H . . 4.125 3.437 3.365 3.488 . 0 0 "[ . 1]" 1
1137 1 59 ILE MG 1 60 THR HA . . 4.378 3.614 3.526 3.668 . 0 0 "[ . 1]" 1
1138 1 59 ILE MG 1 63 LYS H . . 5.599 4.610 4.559 4.660 . 0 0 "[ . 1]" 1
1139 1 59 ILE MG 1 64 TRP H . . 4.961 3.580 3.534 3.692 . 0 0 "[ . 1]" 1
1140 1 59 ILE MG 1 64 TRP HB2 . . 6.050 4.830 4.738 4.932 . 0 0 "[ . 1]" 1
1141 1 59 ILE MG 1 64 TRP HB3 . . 5.280 3.632 3.543 3.739 . 0 0 "[ . 1]" 1
1142 1 59 ILE MG 1 64 TRP HE3 . . 4.730 4.116 3.794 4.271 . 0 0 "[ . 1]" 1
1143 1 60 THR H 1 60 THR HB . . 3.971 3.219 2.675 3.665 . 0 0 "[ . 1]" 1
1144 1 60 THR H 1 60 THR MG . . 3.498 2.123 2.006 2.303 . 0 0 "[ . 1]" 1
1145 1 60 THR H 1 61 ARG H . . 3.839 2.431 2.410 2.438 . 0 0 "[ . 1]" 1
1146 1 60 THR H 1 61 ARG QG . . 4.653 3.846 3.791 3.914 . 0 0 "[ . 1]" 1
1147 1 60 THR H 1 62 LEU H . . 5.258 4.246 4.208 4.259 . 0 0 "[ . 1]" 1
1148 1 60 THR HA 1 60 THR MG . . 3.256 2.823 2.413 3.202 . 0 0 "[ . 1]" 1
1149 1 60 THR HA 1 61 ARG H . . 3.883 3.290 3.283 3.307 . 0 0 "[ . 1]" 1
1150 1 60 THR HA 1 61 ARG QD . . 5.874 5.115 4.930 5.418 . 0 0 "[ . 1]" 1
1151 1 60 THR HB 1 61 ARG H . . 4.840 4.366 4.312 4.399 . 0 0 "[ . 1]" 1
1152 1 60 THR HB 1 61 ARG QD . . 5.874 4.943 4.197 5.581 . 0 0 "[ . 1]" 1
1153 1 60 THR HB 1 61 ARG QG . . 5.071 4.561 4.263 4.782 . 0 0 "[ . 1]" 1
1154 1 60 THR MG 1 61 ARG H . . 5.060 3.370 2.640 4.027 . 0 0 "[ . 1]" 1
1155 1 60 THR MG 1 61 ARG QB . . 5.357 4.477 3.536 5.375 0.018 2 0 "[ . 1]" 1
1156 1 61 ARG H 1 61 ARG QB . . 3.465 2.515 2.494 2.538 . 0 0 "[ . 1]" 1
1157 1 61 ARG H 1 61 ARG HD2 . . 5.786 4.725 4.123 5.106 . 0 0 "[ . 1]" 1
1158 1 61 ARG H 1 61 ARG QD . . 4.917 3.962 3.858 4.136 . 0 0 "[ . 1]" 1
1159 1 61 ARG H 1 61 ARG HD3 . . 5.786 4.311 4.139 5.006 . 0 0 "[ . 1]" 1
1160 1 61 ARG H 1 61 ARG QG . . 3.564 2.882 2.829 2.926 . 0 0 "[ . 1]" 1
1161 1 61 ARG H 1 62 LEU H . . 3.388 2.156 2.153 2.160 . 0 0 "[ . 1]" 1
1162 1 61 ARG H 1 62 LEU HB2 . . 5.951 4.292 4.235 4.722 . 0 0 "[ . 1]" 1
1163 1 61 ARG H 1 62 LEU MD2 . . 6.050 5.815 4.395 6.004 . 0 0 "[ . 1]" 1
1164 1 61 ARG H 1 63 LYS H . . 4.950 3.000 2.959 3.020 . 0 0 "[ . 1]" 1
1165 1 61 ARG H 1 64 TRP H . . 6.050 4.220 4.163 4.328 . 0 0 "[ . 1]" 1
1166 1 61 ARG HA 1 61 ARG HD2 . . 4.059 2.533 2.000 3.056 . 0 0 "[ . 1]" 1
1167 1 61 ARG HA 1 61 ARG QD . . 3.542 2.145 1.990 2.232 . 0 0 "[ . 1]" 1
1168 1 61 ARG HA 1 61 ARG HD3 . . 4.059 2.534 2.117 3.622 . 0 0 "[ . 1]" 1
1169 1 61 ARG HA 1 61 ARG QG . . 3.872 2.882 2.788 2.935 . 0 0 "[ . 1]" 1
1170 1 61 ARG QB 1 62 LEU H . . 3.729 2.362 2.350 2.376 . 0 0 "[ . 1]" 1
1171 1 61 ARG QB 1 62 LEU HG . . 5.643 3.825 2.753 4.023 . 0 0 "[ . 1]" 1
1172 1 61 ARG QD 1 62 LEU H . . 5.698 4.778 4.708 4.894 . 0 0 "[ . 1]" 1
1173 1 61 ARG QG 1 62 LEU H . . 5.808 3.983 3.943 4.018 . 0 0 "[ . 1]" 1
1174 1 62 LEU H 1 62 LEU HB2 . . 3.938 2.250 2.185 2.743 . 0 0 "[ . 1]" 1
1175 1 62 LEU H 1 62 LEU MD1 . . 4.862 4.074 3.828 4.134 . 0 0 "[ . 1]" 1
1176 1 62 LEU H 1 62 LEU MD2 . . 4.488 4.099 2.910 4.269 . 0 0 "[ . 1]" 1
1177 1 62 LEU H 1 62 LEU HG . . 3.982 3.597 2.286 3.779 . 0 0 "[ . 1]" 1
1178 1 62 LEU H 1 63 LYS H . . 3.630 2.507 2.472 2.522 . 0 0 "[ . 1]" 1
1179 1 62 LEU H 1 63 LYS HA . . 5.192 4.581 4.571 4.596 . 0 0 "[ . 1]" 1
1180 1 62 LEU H 1 64 TRP H . . 4.521 3.431 3.378 3.509 . 0 0 "[ . 1]" 1
1181 1 62 LEU HA 1 62 LEU MD2 . . 3.311 2.060 1.967 2.283 . 0 0 "[ . 1]" 1
1182 1 62 LEU HA 1 62 LEU HG . . 4.466 2.704 2.596 3.475 . 0 0 "[ . 1]" 1
1183 1 62 LEU HB2 1 63 LYS H . . 4.906 3.956 3.835 3.992 . 0 0 "[ . 1]" 1
1184 1 62 LEU HB2 1 64 TRP H . . 4.609 3.666 3.020 3.760 . 0 0 "[ . 1]" 1
1185 1 62 LEU HB2 1 64 TRP HB2 . . 5.137 3.485 2.684 3.664 . 0 0 "[ . 1]" 1
1186 1 62 LEU HB3 1 64 TRP HB2 . . 6.050 3.091 2.901 4.178 . 0 0 "[ . 1]" 1
1187 1 62 LEU MD1 1 64 TRP HB2 . . 6.028 3.974 3.850 4.042 . 0 0 "[ . 1]" 1
1188 1 62 LEU MD2 1 63 LYS H . . 6.028 4.533 4.385 4.625 . 0 0 "[ . 1]" 1
1189 1 63 LYS H 1 63 LYS HA . . 3.014 2.280 2.279 2.281 . 0 0 "[ . 1]" 1
1190 1 63 LYS H 1 63 LYS QD . . 5.005 4.477 3.575 4.834 . 0 0 "[ . 1]" 1
1191 1 63 LYS H 1 63 LYS QE . . 6.050 4.822 3.478 5.571 . 0 0 "[ . 1]" 1
1192 1 63 LYS H 1 63 LYS QG . . 4.103 2.926 2.730 3.929 . 0 0 "[ . 1]" 1
1193 1 63 LYS H 1 64 TRP H . . 3.432 2.771 2.768 2.774 . 0 0 "[ . 1]" 1
1194 1 63 LYS H 1 64 TRP HB2 . . 6.050 4.907 4.888 4.943 . 0 0 "[ . 1]" 1
1195 1 63 LYS H 1 64 TRP HB3 . . 6.039 5.232 5.201 5.255 . 0 0 "[ . 1]" 1
1196 1 63 LYS HA 1 63 LYS QD . . 4.576 3.581 2.381 3.996 . 0 0 "[ . 1]" 1
1197 1 63 LYS QB 1 64 TRP H . . 4.455 3.774 3.768 3.783 . 0 0 "[ . 1]" 1
1198 1 63 LYS QB 1 65 VAL H . . 6.050 5.892 5.732 6.039 . 0 0 "[ . 1]" 1
1199 1 63 LYS QB 1 65 VAL QG . . 4.873 3.945 3.767 4.264 . 0 0 "[ . 1]" 1
1200 1 64 TRP H 1 64 TRP HB2 . . 3.322 2.451 2.430 2.489 . 0 0 "[ . 1]" 1
1201 1 64 TRP H 1 64 TRP HB3 . . 3.355 2.624 2.597 2.644 . 0 0 "[ . 1]" 1
1202 1 64 TRP H 1 65 VAL H . . 5.082 4.634 4.630 4.639 . 0 0 "[ . 1]" 1
1203 1 64 TRP HA 1 64 TRP HD1 . . 3.696 2.476 2.397 2.698 . 0 0 "[ . 1]" 1
1204 1 64 TRP HA 1 64 TRP HE1 . . 6.050 4.752 4.715 4.839 . 0 0 "[ . 1]" 1
1205 1 64 TRP HA 1 65 VAL H . . 3.036 2.318 2.264 2.360 . 0 0 "[ . 1]" 1
1206 1 64 TRP HA 1 65 VAL QG . . 4.983 3.177 3.064 3.393 . 0 0 "[ . 1]" 1
1207 1 64 TRP HB2 1 64 TRP HD1 . . 3.718 2.996 2.870 3.046 . 0 0 "[ . 1]" 1
1208 1 64 TRP HB2 1 65 VAL H . . 5.148 3.981 3.923 4.051 . 0 0 "[ . 1]" 1
1209 1 64 TRP HB3 1 64 TRP HE3 . . 4.389 2.406 2.399 2.413 . 0 0 "[ . 1]" 1
1210 1 64 TRP HB3 1 64 TRP HZ3 . . 5.610 4.827 4.822 4.833 . 0 0 "[ . 1]" 1
1211 1 64 TRP HB3 1 65 VAL H . . 5.423 3.670 3.579 3.821 . 0 0 "[ . 1]" 1
1212 1 64 TRP HD1 1 65 VAL H . . 5.049 2.886 2.716 3.205 . 0 0 "[ . 1]" 1
1213 1 64 TRP HE1 1 67 PRO HD3 . . 5.060 5.069 5.063 5.077 0.017 3 0 "[ . 1]" 1
1214 1 64 TRP HE3 1 65 VAL HA . . 5.104 4.666 4.144 4.830 . 0 0 "[ . 1]" 1
1215 1 64 TRP HH2 1 66 GLU H . . 6.050 5.421 4.712 5.675 . 0 0 "[ . 1]" 1
1216 1 64 TRP HH2 1 66 GLU HA . . 4.290 3.906 3.431 4.195 . 0 0 "[ . 1]" 1
1217 1 64 TRP HH2 1 66 GLU HB2 . . 5.357 5.116 4.358 5.359 0.002 4 0 "[ . 1]" 1
1218 1 64 TRP HH2 1 66 GLU QB . . 4.565 3.998 3.069 4.567 0.002 3 0 "[ . 1]" 1
1219 1 64 TRP HH2 1 66 GLU HB3 . . 5.357 4.195 3.136 4.969 . 0 0 "[ . 1]" 1
1220 1 64 TRP HH2 1 67 PRO HD2 . . 5.665 4.639 4.199 4.920 . 0 0 "[ . 1]" 1
1221 1 64 TRP HH2 1 67 PRO HD3 . . 5.720 4.502 4.285 4.861 . 0 0 "[ . 1]" 1
1222 1 64 TRP HZ2 1 66 GLU HA . . 3.960 3.700 3.364 3.893 . 0 0 "[ . 1]" 1
1223 1 64 TRP HZ2 1 67 PRO HD2 . . 4.840 4.712 4.396 4.823 . 0 0 "[ . 1]" 1
1224 1 64 TRP HZ2 1 67 PRO HD3 . . 3.971 3.656 3.528 3.882 . 0 0 "[ . 1]" 1
1225 1 64 TRP HZ3 1 65 VAL HA . . 6.050 5.845 5.182 6.052 0.002 9 0 "[ . 1]" 1
1226 1 64 TRP HZ3 1 66 GLU H . . 5.786 4.924 4.108 5.205 . 0 0 "[ . 1]" 1
1227 1 64 TRP HZ3 1 66 GLU HA . . 5.291 4.755 4.405 5.039 . 0 0 "[ . 1]" 1
1228 1 64 TRP HZ3 1 66 GLU QB . . 5.357 4.204 3.411 4.866 . 0 0 "[ . 1]" 1
1229 1 65 VAL H 1 65 VAL HB . . 4.356 3.777 2.908 3.905 . 0 0 "[ . 1]" 1
1230 1 65 VAL H 1 65 VAL MG1 . . 4.378 3.379 3.225 3.944 . 0 0 "[ . 1]" 1
1231 1 65 VAL H 1 65 VAL QG . . 3.410 2.273 2.078 2.969 . 0 0 "[ . 1]" 1
1232 1 65 VAL H 1 65 VAL MG2 . . 4.378 2.312 2.104 3.070 . 0 0 "[ . 1]" 1
1233 1 65 VAL H 1 66 GLU H . . 5.214 4.066 4.022 4.124 . 0 0 "[ . 1]" 1
1234 1 65 VAL HA 1 66 GLU H . . 2.794 2.142 2.140 2.143 . 0 0 "[ . 1]" 1
1235 1 65 VAL HB 1 66 GLU H . . 4.862 3.533 3.394 4.306 . 0 0 "[ . 1]" 1
1236 1 65 VAL QG 1 66 GLU H . . 4.037 3.480 2.770 3.582 . 0 0 "[ . 1]" 1
1237 1 65 VAL MG1 1 66 GLU H . . 4.664 3.761 2.817 3.912 . 0 0 "[ . 1]" 1
1238 1 65 VAL MG2 1 66 GLU H . . 4.664 4.154 4.085 4.184 . 0 0 "[ . 1]" 1
1239 1 66 GLU H 1 66 GLU QB . . 3.124 2.565 2.248 2.639 . 0 0 "[ . 1]" 1
1240 1 66 GLU H 1 66 GLU HG2 . . 4.741 2.549 2.231 4.162 . 0 0 "[ . 1]" 1
1241 1 66 GLU H 1 66 GLU HG3 . . 4.741 3.233 2.230 3.923 . 0 0 "[ . 1]" 1
1242 1 66 GLU HA 1 67 PRO HD3 . . 3.520 2.317 2.295 2.341 . 0 0 "[ . 1]" 1
1243 1 66 GLU QG 1 67 PRO HD2 . . 4.598 3.726 2.642 4.084 . 0 0 "[ . 1]" 1
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