NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
452790 |
2wcc   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2wcc
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 612
_Distance_constraint_stats_list.Viol_count 1209
_Distance_constraint_stats_list.Viol_total 2328.487
_Distance_constraint_stats_list.Viol_max 0.478
_Distance_constraint_stats_list.Viol_rms 0.0401
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0095
_Distance_constraint_stats_list.Viol_average_violations_only 0.0963
_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
3 1 MET 0.469 0.110 19 0 "[ . 1 . 2]"
3 2 GLY 0.469 0.110 19 0 "[ . 1 . 2]"
3 3 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
3 4 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
3 5 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
3 6 SER 0.206 0.046 12 0 "[ . 1 . 2]"
3 7 HIS 0.751 0.134 20 0 "[ . 1 . 2]"
3 8 GLU 5.114 0.246 11 0 "[ . 1 . 2]"
3 9 ARG 6.918 0.254 8 0 "[ . 1 . 2]"
3 10 ARG 6.960 0.350 20 0 "[ . 1 . 2]"
3 11 ASP 0.681 0.100 19 0 "[ . 1 . 2]"
3 12 LEU 11.006 0.377 5 0 "[ . 1 . 2]"
3 13 PRO 5.015 0.342 16 0 "[ . 1 . 2]"
3 14 PRO 0.157 0.046 7 0 "[ . 1 . 2]"
3 15 ASN 4.790 0.342 16 0 "[ . 1 . 2]"
3 16 LEU 4.939 0.310 17 0 "[ . 1 . 2]"
3 17 TYR 0.392 0.174 16 0 "[ . 1 . 2]"
3 18 ILE 9.917 0.292 13 0 "[ . 1 . 2]"
3 19 ARG 10.514 0.320 9 0 "[ . 1 . 2]"
3 20 ASN 9.058 0.320 9 0 "[ . 1 . 2]"
3 21 ASN 4.517 0.292 13 0 "[ . 1 . 2]"
3 22 GLY 3.012 0.189 1 0 "[ . 1 . 2]"
3 23 TYR 4.359 0.158 17 0 "[ . 1 . 2]"
3 24 TYR 6.257 0.310 17 0 "[ . 1 . 2]"
3 25 CYS 0.267 0.054 2 0 "[ . 1 . 2]"
3 26 TYR 1.356 0.065 4 0 "[ . 1 . 2]"
3 27 ARG 0.156 0.063 3 0 "[ . 1 . 2]"
3 28 ASP 2.493 0.169 3 0 "[ . 1 . 2]"
3 29 PRO 3.039 0.170 8 0 "[ . 1 . 2]"
3 30 ARG 10.258 0.385 17 0 "[ . 1 . 2]"
3 31 THR 7.185 0.385 17 0 "[ . 1 . 2]"
3 32 GLY 0.088 0.043 11 0 "[ . 1 . 2]"
3 33 LYS 5.590 0.478 15 0 "[ . 1 . 2]"
3 34 GLU 0.176 0.063 3 0 "[ . 1 . 2]"
3 35 PHE 2.194 0.203 10 0 "[ . 1 . 2]"
3 36 GLY 0.705 0.097 17 0 "[ . 1 . 2]"
3 37 LEU 2.666 0.202 1 0 "[ . 1 . 2]"
3 38 GLY 1.302 0.131 8 0 "[ . 1 . 2]"
3 39 ARG 3.445 0.158 17 0 "[ . 1 . 2]"
3 40 ASP 3.915 0.239 12 0 "[ . 1 . 2]"
3 41 ARG 7.246 0.372 11 0 "[ . 1 . 2]"
3 42 ARG 5.005 0.239 12 0 "[ . 1 . 2]"
3 43 ILE 11.918 0.372 11 0 "[ . 1 . 2]"
3 44 ALA 3.509 0.202 1 0 "[ . 1 . 2]"
3 45 ILE 8.156 0.377 5 0 "[ . 1 . 2]"
3 46 THR 2.821 0.139 19 0 "[ . 1 . 2]"
3 47 GLU 2.614 0.169 9 0 "[ . 1 . 2]"
3 48 ALA 1.520 0.072 12 0 "[ . 1 . 2]"
3 49 ILE 3.248 0.143 2 0 "[ . 1 . 2]"
3 50 GLN 6.993 0.241 15 0 "[ . 1 . 2]"
3 51 ALA 5.057 0.241 15 0 "[ . 1 . 2]"
3 52 ASN 3.413 0.162 16 0 "[ . 1 . 2]"
3 53 ILE 2.319 0.110 19 0 "[ . 1 . 2]"
3 54 GLU 2.322 0.110 19 0 "[ . 1 . 2]"
3 55 LEU 5.077 0.169 3 0 "[ . 1 . 2]"
3 56 PHE 1.436 0.101 17 0 "[ . 1 . 2]"
3 57 SER 0.189 0.048 14 0 "[ . 1 . 2]"
3 58 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
3 59 HIS 0.194 0.066 18 0 "[ . 1 . 2]"
3 60 LYS 2.858 0.164 2 0 "[ . 1 . 2]"
3 63 PRO 2.785 0.164 2 0 "[ . 1 . 2]"
3 64 LEU 0.121 0.041 3 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 3 1 MET HA 3 2 GLY H 2.900 . 2.900 2.664 2.217 2.906 0.006 15 0 "[ . 1 . 2]" 1
2 3 1 MET QB 3 2 GLY H 3.500 . 3.500 2.410 1.860 3.610 0.110 19 0 "[ . 1 . 2]" 1
3 3 1 MET QB 3 2 GLY QA 5.000 . 5.000 3.802 3.682 4.061 . 0 0 "[ . 1 . 2]" 1
4 3 1 MET QG 3 2 GLY H 5.200 . 5.200 3.437 2.901 3.998 . 0 0 "[ . 1 . 2]" 1
5 3 2 GLY H 3 3 ARG H 5.400 . 5.400 3.303 2.334 4.682 . 0 0 "[ . 1 . 2]" 1
6 3 2 GLY QA 3 3 ARG H 3.500 . 3.500 2.427 2.117 2.834 . 0 0 "[ . 1 . 2]" 1
7 3 3 ARG H 3 3 ARG QB . . 2.900 2.389 2.168 2.699 . 0 0 "[ . 1 . 2]" 1
8 3 4 ARG H 3 5 ARG H 6.000 . 6.000 2.823 2.651 2.992 . 0 0 "[ . 1 . 2]" 1
9 3 5 ARG H 3 6 SER H 5.400 . 5.400 4.447 4.307 4.513 . 0 0 "[ . 1 . 2]" 1
10 3 5 ARG QB 3 6 SER H 5.200 . 5.200 3.067 2.516 3.724 . 0 0 "[ . 1 . 2]" 1
11 3 6 SER H 3 9 ARG H 6.000 . 6.000 3.862 3.649 4.057 . 0 0 "[ . 1 . 2]" 1
12 3 6 SER H 3 9 ARG HA 5.200 . 5.200 5.156 4.914 5.246 0.046 12 0 "[ . 1 . 2]" 1
13 3 6 SER H 3 9 ARG QD 5.200 . 5.200 4.759 4.366 5.154 . 0 0 "[ . 1 . 2]" 1
14 3 6 SER HA 3 7 HIS H 5.200 . 5.200 2.563 2.259 2.749 . 0 0 "[ . 1 . 2]" 1
15 3 7 HIS HA 3 10 ARG QB 2.700 . 2.700 2.722 2.543 2.834 0.134 20 0 "[ . 1 . 2]" 1
16 3 7 HIS QB 3 8 GLU H 3.500 . 3.500 2.494 2.175 2.819 . 0 0 "[ . 1 . 2]" 1
17 3 7 HIS HD2 3 8 GLU QG 6.000 . 6.000 5.032 2.072 6.016 0.016 4 0 "[ . 1 . 2]" 1
18 3 8 GLU H 3 8 GLU QB 3.500 . 3.500 2.522 2.189 2.576 . 0 0 "[ . 1 . 2]" 1
19 3 8 GLU H 3 8 GLU QG . . 3.500 1.948 1.863 2.401 . 0 0 "[ . 1 . 2]" 1
20 3 8 GLU H 3 9 ARG H 3.700 . 3.700 2.556 2.485 2.667 . 0 0 "[ . 1 . 2]" 1
21 3 8 GLU H 3 10 ARG H 6.000 . 6.000 3.879 3.777 4.037 . 0 0 "[ . 1 . 2]" 1
22 3 8 GLU HA 3 8 GLU QG 3.500 . 3.500 2.792 2.470 3.386 . 0 0 "[ . 1 . 2]" 1
23 3 8 GLU HA 3 9 ARG H 3.500 . 3.500 3.532 3.506 3.548 0.048 15 0 "[ . 1 . 2]" 1
24 3 8 GLU HA 3 10 ARG H 3.500 . 3.500 3.632 3.560 3.683 0.183 14 0 "[ . 1 . 2]" 1
25 3 8 GLU HA 3 11 ASP H 6.000 . 6.000 3.827 3.539 4.127 . 0 0 "[ . 1 . 2]" 1
26 3 8 GLU QB 3 11 ASP H 6.000 . 6.000 4.892 4.653 5.245 . 0 0 "[ . 1 . 2]" 1
27 3 8 GLU QG 3 9 ARG H 3.500 . 3.500 3.108 1.896 3.746 0.246 11 0 "[ . 1 . 2]" 1
28 3 8 GLU QG 3 11 ASP H 6.000 . 6.000 5.700 4.933 6.058 0.058 12 0 "[ . 1 . 2]" 1
29 3 9 ARG H 3 9 ARG HA 2.900 . 2.900 2.872 2.839 2.898 . 0 0 "[ . 1 . 2]" 1
30 3 9 ARG H 3 9 ARG QB 3.500 . 3.500 1.972 1.922 2.023 . 0 0 "[ . 1 . 2]" 1
31 3 9 ARG H 3 9 ARG QD 5.200 . 5.200 4.316 4.247 4.480 . 0 0 "[ . 1 . 2]" 1
32 3 9 ARG H 3 9 ARG QG 3.500 . 3.500 3.621 3.303 3.754 0.254 8 0 "[ . 1 . 2]" 1
33 3 9 ARG H 3 10 ARG H 3.100 . 3.100 2.636 2.535 2.693 . 0 0 "[ . 1 . 2]" 1
34 3 9 ARG H 3 10 ARG HA 5.200 . 5.200 5.172 5.074 5.256 0.056 12 0 "[ . 1 . 2]" 1
35 3 9 ARG H 3 11 ASP H 6.000 . 6.000 4.421 4.336 4.530 . 0 0 "[ . 1 . 2]" 1
36 3 9 ARG H 3 12 LEU HG 5.200 . 5.200 5.191 5.054 5.263 0.063 1 0 "[ . 1 . 2]" 1
37 3 9 ARG HA 3 9 ARG QD 5.000 . 5.000 2.123 1.933 2.320 . 0 0 "[ . 1 . 2]" 1
38 3 9 ARG HA 3 10 ARG H 3.500 . 3.500 3.440 3.399 3.477 . 0 0 "[ . 1 . 2]" 1
39 3 9 ARG HA 3 12 LEU HG 4.700 . 4.700 3.506 3.233 3.730 . 0 0 "[ . 1 . 2]" 1
40 3 9 ARG QB 3 12 LEU HG 5.500 . 5.500 5.292 4.938 5.624 0.124 6 0 "[ . 1 . 2]" 1
41 3 9 ARG QD 3 12 LEU H 5.200 . 5.200 3.575 3.313 4.163 . 0 0 "[ . 1 . 2]" 1
42 3 9 ARG QD 3 12 LEU HG 4.800 . 4.800 4.743 4.244 4.881 0.081 17 0 "[ . 1 . 2]" 1
43 3 10 ARG H 3 10 ARG QB 2.900 . 2.900 1.954 1.915 2.113 . 0 0 "[ . 1 . 2]" 1
44 3 10 ARG H 3 10 ARG QG 3.500 . 3.500 3.604 3.357 3.850 0.350 20 0 "[ . 1 . 2]" 1
45 3 10 ARG H 3 11 ASP H 3.700 . 3.700 2.565 2.401 2.691 . 0 0 "[ . 1 . 2]" 1
46 3 10 ARG HA 3 10 ARG QD 3.300 . 3.300 2.996 2.310 3.431 0.131 12 0 "[ . 1 . 2]" 1
47 3 10 ARG HA 3 11 ASP H 3.500 . 3.500 3.497 3.480 3.516 0.016 17 0 "[ . 1 . 2]" 1
48 3 10 ARG QB 3 11 ASP H . . 2.900 2.909 2.782 3.000 0.100 19 0 "[ . 1 . 2]" 1
49 3 11 ASP H 3 12 LEU H 3.770 . 3.770 2.157 1.933 2.356 . 0 0 "[ . 1 . 2]" 1
50 3 11 ASP H 3 12 LEU QD 5.200 . 5.200 3.791 2.697 4.348 . 0 0 "[ . 1 . 2]" 1
51 3 11 ASP H 3 12 LEU HG 6.000 . 6.000 3.986 3.441 5.076 . 0 0 "[ . 1 . 2]" 1
52 3 11 ASP QB 3 12 LEU H . . 5.500 3.223 2.630 3.820 . 0 0 "[ . 1 . 2]" 1
53 3 11 ASP QB 3 12 LEU QD 5.420 . 5.420 3.494 2.408 4.473 . 0 0 "[ . 1 . 2]" 1
54 3 12 LEU H 3 12 LEU QD 4.020 . 4.020 2.988 1.903 3.480 . 0 0 "[ . 1 . 2]" 1
55 3 12 LEU H 3 12 LEU HG 4.090 . 4.090 2.904 2.366 3.977 . 0 0 "[ . 1 . 2]" 1
56 3 12 LEU HA 3 12 LEU QD 3.140 . 3.140 2.033 1.775 2.426 0.025 20 0 "[ . 1 . 2]" 1
57 3 12 LEU HA 3 12 LEU HG 4.480 . 4.480 2.939 2.610 3.612 . 0 0 "[ . 1 . 2]" 1
58 3 12 LEU HA 3 13 PRO QB 5.460 . 5.460 4.536 4.501 4.557 . 0 0 "[ . 1 . 2]" 1
59 3 12 LEU HA 3 13 PRO QD 3.680 . 3.680 1.987 1.935 2.014 . 0 0 "[ . 1 . 2]" 1
60 3 12 LEU HA 3 16 LEU QD 4.850 . 4.850 4.051 3.549 4.865 0.015 18 0 "[ . 1 . 2]" 1
61 3 12 LEU HA 3 49 ILE MD 5.470 . 5.470 4.442 4.082 4.712 . 0 0 "[ . 1 . 2]" 1
62 3 12 LEU QB 3 13 PRO QD 4.780 . 4.780 2.437 2.171 2.839 . 0 0 "[ . 1 . 2]" 1
63 3 12 LEU QB 3 45 ILE MG 4.450 . 4.450 4.523 4.425 4.594 0.144 9 0 "[ . 1 . 2]" 1
64 3 12 LEU QB 3 49 ILE MD 5.390 . 5.390 5.471 5.356 5.533 0.143 2 0 "[ . 1 . 2]" 1
65 3 12 LEU QD 3 13 PRO QD 3.910 . 3.910 2.031 1.811 2.524 . 0 0 "[ . 1 . 2]" 1
66 3 12 LEU QD 3 17 TYR QB 4.950 . 4.950 3.983 3.497 5.124 0.174 16 0 "[ . 1 . 2]" 1
67 3 12 LEU QD 3 24 TYR QD 4.920 . 4.920 2.042 1.804 2.589 . 0 0 "[ . 1 . 2]" 1
68 3 12 LEU QD 3 24 TYR QE 3.780 . 3.780 2.023 1.740 2.576 0.060 1 0 "[ . 1 . 2]" 1
69 3 12 LEU QD 3 45 ILE MD 3.710 . 3.710 2.031 1.714 2.445 0.086 16 0 "[ . 1 . 2]" 1
70 3 12 LEU HG 3 13 PRO QD 5.000 . 5.000 4.094 3.873 4.385 . 0 0 "[ . 1 . 2]" 1
71 3 12 LEU HG 3 17 TYR HA . . 5.190 4.829 4.154 5.104 . 0 0 "[ . 1 . 2]" 1
72 3 12 LEU HG 3 18 ILE H 5.200 . 5.200 5.226 4.785 5.365 0.165 9 0 "[ . 1 . 2]" 1
73 3 12 LEU HG 3 24 TYR QD 5.090 . 5.090 4.408 3.935 4.811 . 0 0 "[ . 1 . 2]" 1
74 3 12 LEU HG 3 24 TYR QE 3.950 . 3.950 3.166 2.123 3.628 . 0 0 "[ . 1 . 2]" 1
75 3 12 LEU HG 3 45 ILE QG 3.320 . 3.320 3.512 3.391 3.697 0.377 5 0 "[ . 1 . 2]" 1
76 3 13 PRO HA 3 14 PRO QB 5.500 . 5.500 4.713 4.687 4.731 . 0 0 "[ . 1 . 2]" 1
77 3 13 PRO HA 3 14 PRO QD 3.330 . 3.330 2.295 2.261 2.321 . 0 0 "[ . 1 . 2]" 1
78 3 13 PRO HA 3 48 ALA MB 5.480 . 5.480 4.862 4.716 5.135 . 0 0 "[ . 1 . 2]" 1
79 3 13 PRO HA 3 49 ILE MD 5.330 . 5.330 3.770 3.583 4.048 . 0 0 "[ . 1 . 2]" 1
80 3 13 PRO HA 3 49 ILE QG 5.020 . 5.020 4.075 3.768 4.457 . 0 0 "[ . 1 . 2]" 1
81 3 13 PRO QB 3 14 PRO QD 3.920 . 3.920 1.852 1.830 1.879 . 0 0 "[ . 1 . 2]" 1
82 3 13 PRO QB 3 48 ALA MB 5.150 . 5.150 2.716 2.536 2.990 . 0 0 "[ . 1 . 2]" 1
83 3 13 PRO QB 3 49 ILE H 5.430 . 5.430 3.639 3.450 3.842 . 0 0 "[ . 1 . 2]" 1
84 3 13 PRO QB 3 49 ILE HA 5.040 . 5.040 2.957 2.748 3.220 . 0 0 "[ . 1 . 2]" 1
85 3 13 PRO QB 3 49 ILE MD 3.980 . 3.980 1.983 1.865 2.281 . 0 0 "[ . 1 . 2]" 1
86 3 13 PRO QB 3 49 ILE QG 4.040 . 4.040 2.119 1.887 2.493 . 0 0 "[ . 1 . 2]" 1
87 3 13 PRO QB 3 52 ASN QD 4.290 . 4.290 2.004 1.772 3.204 0.028 13 0 "[ . 1 . 2]" 1
88 3 13 PRO QD 3 16 LEU QD 3.650 . 3.650 2.590 1.877 3.509 . 0 0 "[ . 1 . 2]" 1
89 3 13 PRO QD 3 48 ALA MB 5.010 . 5.010 3.233 3.044 3.478 . 0 0 "[ . 1 . 2]" 1
90 3 13 PRO QG 3 15 ASN H 5.500 . 5.500 5.707 5.634 5.842 0.342 16 0 "[ . 1 . 2]" 1
91 3 13 PRO QG 3 16 LEU QD 3.380 . 3.380 2.631 1.920 3.404 0.024 18 0 "[ . 1 . 2]" 1
92 3 13 PRO QG 3 48 ALA MB 3.610 . 3.610 1.775 1.734 1.891 0.066 3 0 "[ . 1 . 2]" 1
93 3 13 PRO QG 3 49 ILE H 4.800 . 4.800 2.880 2.677 3.141 . 0 0 "[ . 1 . 2]" 1
94 3 13 PRO QG 3 49 ILE QG 3.510 . 3.510 3.251 2.881 3.594 0.084 17 0 "[ . 1 . 2]" 1
95 3 14 PRO HA 3 15 ASN H 2.900 . 2.900 2.293 2.246 2.447 . 0 0 "[ . 1 . 2]" 1
96 3 14 PRO HA 3 16 LEU H 3.500 . 3.500 3.417 3.231 3.533 0.033 13 0 "[ . 1 . 2]" 1
97 3 14 PRO QB 3 15 ASN H 4.210 . 4.210 2.997 2.616 3.133 . 0 0 "[ . 1 . 2]" 1
98 3 14 PRO QB 3 15 ASN QD 5.060 . 5.060 2.965 2.632 3.846 . 0 0 "[ . 1 . 2]" 1
99 3 14 PRO QB 3 52 ASN QD 4.790 . 4.790 3.622 3.280 3.777 . 0 0 "[ . 1 . 2]" 1
100 3 14 PRO QD 3 15 ASN QD 5.500 . 5.500 4.885 4.231 5.546 0.046 7 0 "[ . 1 . 2]" 1
101 3 14 PRO QD 3 52 ASN QD 4.860 . 4.860 2.060 1.808 3.189 . 0 0 "[ . 1 . 2]" 1
102 3 15 ASN H 3 15 ASN QD 5.500 . 5.500 4.088 2.319 4.411 . 0 0 "[ . 1 . 2]" 1
103 3 15 ASN H 3 16 LEU H 3.990 . 3.990 2.565 2.500 2.671 . 0 0 "[ . 1 . 2]" 1
104 3 15 ASN H 3 16 LEU QB 5.500 . 5.500 4.570 4.467 4.706 . 0 0 "[ . 1 . 2]" 1
105 3 15 ASN HA 3 26 TYR QD 4.930 . 4.930 4.943 4.826 4.995 0.065 4 0 "[ . 1 . 2]" 1
106 3 15 ASN HA 3 27 ARG H 5.270 . 5.270 3.285 2.737 3.566 . 0 0 "[ . 1 . 2]" 1
107 3 15 ASN QB 3 26 TYR QE 4.050 . 4.050 2.268 2.031 2.491 . 0 0 "[ . 1 . 2]" 1
108 3 15 ASN QB 3 27 ARG H 4.490 . 4.490 3.565 2.786 4.052 . 0 0 "[ . 1 . 2]" 1
109 3 15 ASN QD 3 26 TYR QE 5.350 . 5.350 3.281 2.708 4.975 . 0 0 "[ . 1 . 2]" 1
110 3 15 ASN QD 3 29 PRO QG 4.730 . 4.730 4.269 2.883 4.760 0.030 11 0 "[ . 1 . 2]" 1
111 3 15 ASN QD 3 52 ASN QD 5.500 . 5.500 3.607 2.003 4.933 . 0 0 "[ . 1 . 2]" 1
112 3 15 ASN QD 3 55 LEU QD 4.010 . 4.010 2.232 1.788 3.760 0.012 6 0 "[ . 1 . 2]" 1
113 3 16 LEU H 3 16 LEU QB 3.640 . 3.640 2.646 2.572 2.698 . 0 0 "[ . 1 . 2]" 1
114 3 16 LEU H 3 16 LEU QD 4.070 . 4.070 3.778 3.550 3.949 . 0 0 "[ . 1 . 2]" 1
115 3 16 LEU H 3 16 LEU HG 5.360 . 5.360 4.714 4.224 5.075 . 0 0 "[ . 1 . 2]" 1
116 3 16 LEU H 3 17 TYR H 5.100 . 5.100 4.119 4.005 4.190 . 0 0 "[ . 1 . 2]" 1
117 3 16 LEU H 3 26 TYR HA 5.500 . 5.500 4.779 4.601 4.943 . 0 0 "[ . 1 . 2]" 1
118 3 16 LEU HA 3 16 LEU QD 3.370 . 3.370 2.005 1.817 2.495 . 0 0 "[ . 1 . 2]" 1
119 3 16 LEU HA 3 17 TYR H 3.310 . 3.310 2.200 2.190 2.215 . 0 0 "[ . 1 . 2]" 1
120 3 16 LEU HA 3 26 TYR HA 3.730 . 3.730 2.432 2.037 2.945 . 0 0 "[ . 1 . 2]" 1
121 3 16 LEU HA 3 26 TYR QB 4.800 . 4.800 4.162 3.675 4.631 . 0 0 "[ . 1 . 2]" 1
122 3 16 LEU HA 3 27 ARG H 5.060 . 5.060 3.214 2.841 3.614 . 0 0 "[ . 1 . 2]" 1
123 3 16 LEU HA 3 48 ALA MB 4.470 . 4.470 3.695 3.465 3.951 . 0 0 "[ . 1 . 2]" 1
124 3 16 LEU QB 3 17 TYR H 5.410 . 5.410 3.828 3.748 3.904 . 0 0 "[ . 1 . 2]" 1
125 3 16 LEU QD 3 17 TYR H 3.670 . 3.670 2.106 1.916 2.423 . 0 0 "[ . 1 . 2]" 1
126 3 16 LEU QD 3 24 TYR H 4.490 . 4.490 4.702 4.632 4.800 0.310 17 0 "[ . 1 . 2]" 1
127 3 16 LEU QD 3 24 TYR HA 5.190 . 5.190 3.231 2.994 3.497 . 0 0 "[ . 1 . 2]" 1
128 3 16 LEU QD 3 24 TYR QB 3.780 . 3.780 1.897 1.839 1.986 . 0 0 "[ . 1 . 2]" 1
129 3 16 LEU QD 3 24 TYR QD 3.930 . 3.930 2.351 1.915 3.013 . 0 0 "[ . 1 . 2]" 1
130 3 16 LEU QD 3 24 TYR QE 5.280 . 5.280 3.918 3.299 4.519 . 0 0 "[ . 1 . 2]" 1
131 3 16 LEU QD 3 26 TYR HA 4.290 . 4.290 2.643 1.947 3.589 . 0 0 "[ . 1 . 2]" 1
132 3 16 LEU QD 3 26 TYR QB 5.450 . 5.450 3.010 1.996 3.973 . 0 0 "[ . 1 . 2]" 1
133 3 16 LEU QD 3 44 ALA HA 4.530 . 4.530 3.405 2.909 3.931 . 0 0 "[ . 1 . 2]" 1
134 3 16 LEU QD 3 45 ILE H 4.920 . 4.920 3.353 2.856 4.091 . 0 0 "[ . 1 . 2]" 1
135 3 16 LEU QD 3 45 ILE HA 3.190 . 3.190 2.389 1.777 3.234 0.044 17 0 "[ . 1 . 2]" 1
136 3 16 LEU QD 3 48 ALA MB 3.300 . 3.300 1.793 1.728 1.863 0.072 12 0 "[ . 1 . 2]" 1
137 3 16 LEU MD2 3 25 CYS H 4.760 . 4.760 3.668 2.012 4.623 . 0 0 "[ . 1 . 2]" 1
138 3 16 LEU HG 3 24 TYR QD 4.940 . 4.940 4.108 3.053 4.995 0.055 3 0 "[ . 1 . 2]" 1
139 3 17 TYR H 3 18 ILE H 5.500 . 5.500 4.485 4.479 4.495 . 0 0 "[ . 1 . 2]" 1
140 3 17 TYR H 3 25 CYS H 3.700 . 3.700 2.976 2.603 3.754 0.054 2 0 "[ . 1 . 2]" 1
141 3 17 TYR HA 3 18 ILE H 3.620 . 3.620 2.394 2.371 2.413 . 0 0 "[ . 1 . 2]" 1
142 3 17 TYR HA 3 18 ILE MG 4.920 . 4.920 4.619 4.570 4.669 . 0 0 "[ . 1 . 2]" 1
143 3 17 TYR QB 3 18 ILE H 4.220 . 4.220 2.713 2.653 2.799 . 0 0 "[ . 1 . 2]" 1
144 3 17 TYR QB 3 18 ILE HA 5.280 . 5.280 4.339 4.310 4.370 . 0 0 "[ . 1 . 2]" 1
145 3 17 TYR QB 3 18 ILE MG 5.500 . 5.500 4.381 4.298 4.485 . 0 0 "[ . 1 . 2]" 1
146 3 18 ILE H 3 18 ILE MD 4.770 . 4.770 4.233 4.193 4.279 . 0 0 "[ . 1 . 2]" 1
147 3 18 ILE H 3 18 ILE MG 3.730 . 3.730 2.570 2.517 2.619 . 0 0 "[ . 1 . 2]" 1
148 3 18 ILE HA 3 18 ILE MD 3.790 . 3.790 2.587 2.267 2.703 . 0 0 "[ . 1 . 2]" 1
149 3 18 ILE HA 3 18 ILE MG 3.590 . 3.590 3.107 3.090 3.120 . 0 0 "[ . 1 . 2]" 1
150 3 18 ILE HA 3 24 TYR HA 3.520 . 3.520 2.141 1.996 2.265 . 0 0 "[ . 1 . 2]" 1
151 3 18 ILE HB 3 18 ILE MD 3.580 . 3.580 3.180 3.170 3.211 . 0 0 "[ . 1 . 2]" 1
152 3 18 ILE HB 3 19 ARG H 4.590 . 4.590 4.384 4.347 4.412 . 0 0 "[ . 1 . 2]" 1
153 3 18 ILE HB 3 24 TYR HA 4.970 . 4.970 4.241 4.002 4.467 . 0 0 "[ . 1 . 2]" 1
154 3 18 ILE HB 3 24 TYR QD 4.980 . 4.980 3.456 3.175 3.722 . 0 0 "[ . 1 . 2]" 1
155 3 18 ILE HB 3 24 TYR QE 4.810 . 4.810 2.938 2.299 3.335 . 0 0 "[ . 1 . 2]" 1
156 3 18 ILE MD 3 19 ARG H 5.160 . 5.160 2.050 1.866 2.126 . 0 0 "[ . 1 . 2]" 1
157 3 18 ILE MD 3 19 ARG QB 3.360 . 3.360 3.292 3.179 3.413 0.053 2 0 "[ . 1 . 2]" 1
158 3 18 ILE MD 3 21 ASN H 5.500 . 5.500 4.253 4.159 4.366 . 0 0 "[ . 1 . 2]" 1
159 3 18 ILE MD 3 21 ASN HA 5.100 . 5.100 5.326 5.289 5.392 0.292 13 0 "[ . 1 . 2]" 1
160 3 18 ILE MD 3 22 GLY H 5.110 . 5.110 2.768 2.699 2.834 . 0 0 "[ . 1 . 2]" 1
161 3 18 ILE MD 3 22 GLY QA 3.800 . 3.800 1.798 1.768 1.828 0.032 5 0 "[ . 1 . 2]" 1
162 3 18 ILE MD 3 23 TYR H 4.970 . 4.970 2.432 2.310 2.637 . 0 0 "[ . 1 . 2]" 1
163 3 18 ILE MD 3 24 TYR HA 5.280 . 5.280 3.450 3.085 3.683 . 0 0 "[ . 1 . 2]" 1
164 3 18 ILE MD 3 24 TYR QD 5.000 . 5.000 3.742 3.275 4.006 . 0 0 "[ . 1 . 2]" 1
165 3 18 ILE MD 3 24 TYR QE 4.420 . 4.420 3.637 3.168 4.020 . 0 0 "[ . 1 . 2]" 1
166 3 18 ILE QG 3 18 ILE MG 3.140 . 3.140 2.401 2.322 2.427 . 0 0 "[ . 1 . 2]" 1
167 3 18 ILE QG 3 19 ARG H 4.790 . 4.790 3.356 3.222 3.537 . 0 0 "[ . 1 . 2]" 1
168 3 18 ILE QG 3 22 GLY H 5.000 . 5.000 4.903 4.823 4.976 . 0 0 "[ . 1 . 2]" 1
169 3 18 ILE QG 3 22 GLY QA 4.700 . 4.700 3.515 3.451 3.601 . 0 0 "[ . 1 . 2]" 1
170 3 18 ILE QG 3 24 TYR H 4.910 . 4.910 3.952 3.734 4.195 . 0 0 "[ . 1 . 2]" 1
171 3 18 ILE QG 3 24 TYR HA 4.400 . 4.400 2.702 2.462 3.050 . 0 0 "[ . 1 . 2]" 1
172 3 18 ILE QG 3 24 TYR QD 4.840 . 4.840 2.754 2.593 2.921 . 0 0 "[ . 1 . 2]" 1
173 3 18 ILE QG 3 24 TYR QE 5.320 . 5.320 2.574 2.400 2.737 . 0 0 "[ . 1 . 2]" 1
174 3 18 ILE MG 3 19 ARG H 4.360 . 4.360 3.173 3.090 3.245 . 0 0 "[ . 1 . 2]" 1
175 3 18 ILE MG 3 19 ARG QB 4.550 . 4.550 4.365 4.248 4.459 . 0 0 "[ . 1 . 2]" 1
176 3 18 ILE MG 3 22 GLY H 4.180 . 4.180 4.145 4.066 4.204 0.024 9 0 "[ . 1 . 2]" 1
177 3 18 ILE MG 3 22 GLY QA 3.690 . 3.690 3.828 3.750 3.879 0.189 1 0 "[ . 1 . 2]" 1
178 3 18 ILE MG 3 24 TYR HA 4.790 . 4.790 4.751 4.597 4.858 0.068 12 0 "[ . 1 . 2]" 1
179 3 18 ILE MG 3 24 TYR QD 5.280 . 5.280 4.681 4.513 4.796 . 0 0 "[ . 1 . 2]" 1
180 3 18 ILE MG 3 24 TYR QE 4.150 . 4.150 4.069 3.773 4.207 0.057 15 0 "[ . 1 . 2]" 1
181 3 19 ARG H 3 20 ASN HA 5.100 . 5.100 5.381 5.357 5.420 0.320 9 0 "[ . 1 . 2]" 1
182 3 19 ARG H 3 22 GLY H 5.400 . 5.400 4.257 4.169 4.349 . 0 0 "[ . 1 . 2]" 1
183 3 19 ARG H 3 23 TYR H 3.100 . 3.100 3.167 3.049 3.254 0.154 14 0 "[ . 1 . 2]" 1
184 3 19 ARG HA 3 20 ASN QB 4.630 . 4.630 4.802 4.717 4.863 0.233 11 0 "[ . 1 . 2]" 1
185 3 19 ARG QB 3 20 ASN H 4.060 . 4.060 2.095 2.040 2.273 . 0 0 "[ . 1 . 2]" 1
186 3 19 ARG QB 3 20 ASN QB 5.020 . 5.020 3.934 3.836 4.029 . 0 0 "[ . 1 . 2]" 1
187 3 20 ASN H 3 21 ASN H 4.570 . 4.570 2.410 2.374 2.450 . 0 0 "[ . 1 . 2]" 1
188 3 20 ASN H 3 21 ASN QB 4.940 . 4.940 4.284 3.954 4.538 . 0 0 "[ . 1 . 2]" 1
189 3 21 ASN H 3 22 GLY H 4.220 . 4.220 2.776 2.704 2.835 . 0 0 "[ . 1 . 2]" 1
190 3 21 ASN HA 3 22 GLY H 3.600 . 3.600 3.199 3.170 3.243 . 0 0 "[ . 1 . 2]" 1
191 3 21 ASN QB 3 22 GLY H 5.180 . 5.180 3.568 3.505 3.629 . 0 0 "[ . 1 . 2]" 1
192 3 21 ASN QB 3 22 GLY QA 4.710 . 4.710 4.274 4.245 4.311 . 0 0 "[ . 1 . 2]" 1
193 3 22 GLY H 3 23 TYR H 3.450 . 3.450 2.538 2.499 2.587 . 0 0 "[ . 1 . 2]" 1
194 3 23 TYR H 3 23 TYR QD 5.200 . 5.200 4.044 3.832 4.124 . 0 0 "[ . 1 . 2]" 1
195 3 23 TYR HA 3 23 TYR QD 3.960 . 3.960 2.921 2.811 2.987 . 0 0 "[ . 1 . 2]" 1
196 3 23 TYR HA 3 24 TYR H 3.430 . 3.430 2.248 2.224 2.271 . 0 0 "[ . 1 . 2]" 1
197 3 23 TYR HA 3 39 ARG HA 3.890 . 3.890 2.387 2.109 2.538 . 0 0 "[ . 1 . 2]" 1
198 3 23 TYR HA 3 39 ARG QB 3.730 . 3.730 3.664 3.188 3.812 0.082 1 0 "[ . 1 . 2]" 1
199 3 23 TYR HA 3 39 ARG QG 4.500 . 4.500 3.376 2.632 3.807 . 0 0 "[ . 1 . 2]" 1
200 3 23 TYR QB 3 24 TYR H 5.110 . 5.110 3.654 3.568 3.746 . 0 0 "[ . 1 . 2]" 1
201 3 23 TYR QD 3 24 TYR H 4.810 . 4.810 2.879 2.505 3.215 . 0 0 "[ . 1 . 2]" 1
202 3 23 TYR QD 3 25 CYS H 5.500 . 5.500 5.151 4.401 5.395 . 0 0 "[ . 1 . 2]" 1
203 3 23 TYR QD 3 25 CYS HA 5.030 . 5.030 4.456 4.024 4.627 . 0 0 "[ . 1 . 2]" 1
204 3 23 TYR QD 3 39 ARG H 4.930 . 4.930 5.000 4.853 5.088 0.158 17 0 "[ . 1 . 2]" 1
205 3 23 TYR QD 3 39 ARG QD 5.060 . 5.060 4.530 2.816 5.078 0.018 3 0 "[ . 1 . 2]" 1
206 3 23 TYR QE 3 25 CYS HA 5.500 . 5.500 5.405 4.989 5.548 0.048 10 0 "[ . 1 . 2]" 1
207 3 23 TYR QE 3 36 GLY H 5.190 . 5.190 5.179 4.713 5.287 0.097 17 0 "[ . 1 . 2]" 1
208 3 23 TYR QE 3 36 GLY QA 4.160 . 4.160 2.723 2.219 2.861 . 0 0 "[ . 1 . 2]" 1
209 3 23 TYR QE 3 37 LEU H 4.420 . 4.420 3.181 2.223 3.898 . 0 0 "[ . 1 . 2]" 1
210 3 23 TYR QE 3 38 GLY H 4.660 . 4.660 2.610 1.912 3.737 . 0 0 "[ . 1 . 2]" 1
211 3 23 TYR QE 3 38 GLY QA 4.310 . 4.310 3.050 2.786 3.271 . 0 0 "[ . 1 . 2]" 1
212 3 23 TYR QE 3 39 ARG QD 5.040 . 5.040 3.406 2.226 4.074 . 0 0 "[ . 1 . 2]" 1
213 3 24 TYR H 3 24 TYR QD 3.820 . 3.820 2.327 1.946 3.020 . 0 0 "[ . 1 . 2]" 1
214 3 24 TYR H 3 25 CYS H 5.350 . 5.350 4.578 4.262 4.645 . 0 0 "[ . 1 . 2]" 1
215 3 24 TYR H 3 39 ARG HA 4.970 . 4.970 2.885 2.530 3.196 . 0 0 "[ . 1 . 2]" 1
216 3 24 TYR HA 3 24 TYR QD 4.050 . 4.050 2.819 2.303 3.068 . 0 0 "[ . 1 . 2]" 1
217 3 24 TYR HA 3 44 ALA MB 4.600 . 4.600 4.007 3.863 4.212 . 0 0 "[ . 1 . 2]" 1
218 3 24 TYR QB 3 25 CYS H 4.990 . 4.990 2.926 2.654 3.727 . 0 0 "[ . 1 . 2]" 1
219 3 24 TYR QB 3 37 LEU QB 4.540 . 4.540 2.689 2.156 3.307 . 0 0 "[ . 1 . 2]" 1
220 3 24 TYR QB 3 39 ARG HA 4.890 . 4.890 4.188 3.847 4.478 . 0 0 "[ . 1 . 2]" 1
221 3 24 TYR QB 3 44 ALA MB 3.830 . 3.830 1.745 1.678 1.918 0.122 8 0 "[ . 1 . 2]" 1
222 3 24 TYR QD 3 25 CYS H 5.080 . 5.080 3.845 3.209 4.746 . 0 0 "[ . 1 . 2]" 1
223 3 24 TYR QD 3 37 LEU QD 5.500 . 5.500 4.892 4.210 5.479 . 0 0 "[ . 1 . 2]" 1
224 3 24 TYR QD 3 39 ARG HA 3.910 . 3.910 2.946 2.471 3.323 . 0 0 "[ . 1 . 2]" 1
225 3 24 TYR QD 3 40 ASP H 5.190 . 5.190 4.107 3.443 4.774 . 0 0 "[ . 1 . 2]" 1
226 3 24 TYR QD 3 44 ALA H 5.500 . 5.500 4.592 3.944 4.950 . 0 0 "[ . 1 . 2]" 1
227 3 24 TYR QD 3 44 ALA MB 4.030 . 4.030 2.768 2.222 3.076 . 0 0 "[ . 1 . 2]" 1
228 3 24 TYR QE 3 39 ARG HA 4.710 . 4.710 4.319 3.616 4.735 0.025 20 0 "[ . 1 . 2]" 1
229 3 24 TYR QE 3 41 ARG H 5.450 . 5.450 3.841 3.230 4.649 . 0 0 "[ . 1 . 2]" 1
230 3 24 TYR QE 3 41 ARG QB 4.560 . 4.560 3.086 1.984 4.041 . 0 0 "[ . 1 . 2]" 1
231 3 24 TYR QE 3 44 ALA MB 5.070 . 5.070 3.971 3.464 4.498 . 0 0 "[ . 1 . 2]" 1
232 3 25 CYS H 3 26 TYR H 4.680 . 4.680 4.431 4.319 4.599 . 0 0 "[ . 1 . 2]" 1
233 3 25 CYS H 3 44 ALA MB 5.500 . 5.500 4.317 3.946 4.867 . 0 0 "[ . 1 . 2]" 1
234 3 25 CYS HA 3 26 TYR H 3.430 . 3.430 2.317 2.243 2.389 . 0 0 "[ . 1 . 2]" 1
235 3 25 CYS HA 3 26 TYR HA 5.060 . 5.060 4.461 4.445 4.479 . 0 0 "[ . 1 . 2]" 1
236 3 25 CYS HA 3 26 TYR QB 4.620 . 4.620 4.007 3.978 4.037 . 0 0 "[ . 1 . 2]" 1
237 3 25 CYS HA 3 36 GLY QA 4.270 . 4.270 3.061 2.771 3.388 . 0 0 "[ . 1 . 2]" 1
238 3 25 CYS HA 3 37 LEU H 4.270 . 4.270 2.453 1.930 3.460 . 0 0 "[ . 1 . 2]" 1
239 3 25 CYS HA 3 37 LEU QB 4.970 . 4.970 2.269 1.903 3.214 . 0 0 "[ . 1 . 2]" 1
240 3 25 CYS HA 3 37 LEU QD 4.450 . 4.450 3.144 2.292 4.029 . 0 0 "[ . 1 . 2]" 1
241 3 25 CYS HA 3 38 GLY H 5.500 . 5.500 4.911 4.329 5.520 0.020 6 0 "[ . 1 . 2]" 1
242 3 25 CYS QB 3 26 TYR H 4.040 . 4.040 2.886 2.681 3.137 . 0 0 "[ . 1 . 2]" 1
243 3 25 CYS QB 3 36 GLY QA 4.860 . 4.860 3.698 3.104 4.153 . 0 0 "[ . 1 . 2]" 1
244 3 25 CYS QB 3 37 LEU QD 5.500 . 5.500 4.368 3.648 5.148 . 0 0 "[ . 1 . 2]" 1
245 3 26 TYR H 3 26 TYR QB 3.700 . 3.700 2.236 2.174 2.306 . 0 0 "[ . 1 . 2]" 1
246 3 26 TYR H 3 26 TYR QD 4.810 . 4.810 4.085 3.954 4.204 . 0 0 "[ . 1 . 2]" 1
247 3 26 TYR H 3 27 ARG H 5.500 . 5.500 4.432 4.300 4.559 . 0 0 "[ . 1 . 2]" 1
248 3 26 TYR H 3 35 PHE H 4.640 . 4.640 2.626 2.133 3.001 . 0 0 "[ . 1 . 2]" 1
249 3 26 TYR H 3 37 LEU H 5.400 . 5.400 4.227 3.626 5.358 . 0 0 "[ . 1 . 2]" 1
250 3 26 TYR H 3 37 LEU QD 4.730 . 4.730 2.686 1.942 3.669 . 0 0 "[ . 1 . 2]" 1
251 3 26 TYR H 3 37 LEU HG 4.910 . 4.910 3.738 2.744 4.957 0.047 14 0 "[ . 1 . 2]" 1
252 3 26 TYR HA 3 26 TYR QD 3.920 . 3.920 2.859 2.507 3.159 . 0 0 "[ . 1 . 2]" 1
253 3 26 TYR HA 3 27 ARG H 3.380 . 3.380 2.218 2.212 2.242 . 0 0 "[ . 1 . 2]" 1
254 3 26 TYR HA 3 37 LEU QD 4.850 . 4.850 3.298 2.588 3.876 . 0 0 "[ . 1 . 2]" 1
255 3 26 TYR HA 3 48 ALA MB . . 5.110 3.999 3.739 4.294 . 0 0 "[ . 1 . 2]" 1
256 3 26 TYR QB 3 27 ARG H 4.810 . 4.810 3.890 3.762 3.975 . 0 0 "[ . 1 . 2]" 1
257 3 26 TYR QB 3 35 PHE H 5.300 . 5.300 3.651 3.032 4.249 . 0 0 "[ . 1 . 2]" 1
258 3 26 TYR QB 3 35 PHE QB 5.030 . 5.030 3.188 2.321 3.725 . 0 0 "[ . 1 . 2]" 1
259 3 26 TYR QB 3 37 LEU QD 3.410 . 3.410 1.868 1.742 2.123 0.058 16 0 "[ . 1 . 2]" 1
260 3 26 TYR QB 3 48 ALA MB 5.000 . 5.000 3.708 3.285 4.353 . 0 0 "[ . 1 . 2]" 1
261 3 26 TYR QD 3 27 ARG H 4.380 . 4.380 3.700 3.307 3.879 . 0 0 "[ . 1 . 2]" 1
262 3 26 TYR QD 3 35 PHE H 5.460 . 5.460 4.574 3.898 5.240 . 0 0 "[ . 1 . 2]" 1
263 3 26 TYR QD 3 35 PHE QB 4.710 . 4.710 3.833 2.991 4.722 0.012 20 0 "[ . 1 . 2]" 1
264 3 26 TYR QD 3 37 LEU QD 4.430 . 4.430 3.148 2.623 3.575 . 0 0 "[ . 1 . 2]" 1
265 3 26 TYR QD 3 48 ALA HA 3.420 . 3.420 2.907 2.577 3.240 . 0 0 "[ . 1 . 2]" 1
266 3 26 TYR QD 3 48 ALA MB 3.370 . 3.370 2.441 1.919 3.036 . 0 0 "[ . 1 . 2]" 1
267 3 26 TYR QE 3 28 ASP H 5.000 . 5.000 4.435 3.897 5.013 0.013 12 0 "[ . 1 . 2]" 1
268 3 26 TYR QE 3 28 ASP HA 4.030 . 4.030 2.531 1.948 3.411 . 0 0 "[ . 1 . 2]" 1
269 3 26 TYR QE 3 28 ASP QB 4.100 . 4.100 3.921 3.546 4.131 0.031 6 0 "[ . 1 . 2]" 1
270 3 26 TYR QE 3 29 PRO QD 4.700 . 4.700 3.108 2.446 3.832 . 0 0 "[ . 1 . 2]" 1
271 3 26 TYR QE 3 48 ALA MB 4.890 . 4.890 3.425 2.382 4.000 . 0 0 "[ . 1 . 2]" 1
272 3 26 TYR QE 3 51 ALA H 5.310 . 5.310 5.202 4.648 5.370 0.060 4 0 "[ . 1 . 2]" 1
273 3 26 TYR QE 3 51 ALA MB 3.610 . 3.610 2.699 2.359 3.102 . 0 0 "[ . 1 . 2]" 1
274 3 26 TYR QE 3 52 ASN H 4.680 . 4.680 4.600 4.103 4.734 0.054 10 0 "[ . 1 . 2]" 1
275 3 26 TYR QE 3 55 LEU QD 4.850 . 4.850 3.237 2.611 3.595 . 0 0 "[ . 1 . 2]" 1
276 3 27 ARG HA 3 27 ARG QD 4.310 . 4.310 3.950 2.866 4.205 . 0 0 "[ . 1 . 2]" 1
277 3 27 ARG HA 3 28 ASP H 3.520 . 3.520 2.216 2.194 2.235 . 0 0 "[ . 1 . 2]" 1
278 3 27 ARG HA 3 34 GLU H 5.500 . 5.500 4.838 4.548 5.296 . 0 0 "[ . 1 . 2]" 1
279 3 27 ARG HA 3 34 GLU HA 3.750 . 3.750 2.750 2.269 3.244 . 0 0 "[ . 1 . 2]" 1
280 3 27 ARG HA 3 34 GLU QB 4.920 . 4.920 3.604 1.883 4.960 0.040 8 0 "[ . 1 . 2]" 1
281 3 27 ARG HA 3 34 GLU QG 4.640 . 4.640 3.005 1.820 4.367 . 0 0 "[ . 1 . 2]" 1
282 3 27 ARG HA 3 35 PHE H 4.880 . 4.880 4.440 3.883 4.825 . 0 0 "[ . 1 . 2]" 1
283 3 27 ARG QD 3 34 GLU QG 5.160 . 5.160 4.620 3.552 5.223 0.063 3 0 "[ . 1 . 2]" 1
284 3 28 ASP H 3 28 ASP QB 3.700 . 3.700 2.265 2.082 2.538 . 0 0 "[ . 1 . 2]" 1
285 3 28 ASP H 3 29 PRO HA 5.500 . 5.500 5.480 5.436 5.514 0.014 16 0 "[ . 1 . 2]" 1
286 3 28 ASP H 3 30 ARG H 5.210 . 5.210 5.150 4.962 5.291 0.081 2 0 "[ . 1 . 2]" 1
287 3 28 ASP H 3 31 THR H 5.440 . 5.440 4.791 4.646 5.112 . 0 0 "[ . 1 . 2]" 1
288 3 28 ASP H 3 32 GLY H 5.370 . 5.370 3.715 3.428 4.238 . 0 0 "[ . 1 . 2]" 1
289 3 28 ASP H 3 33 LYS H 3.700 . 3.700 3.699 3.335 3.803 0.103 1 0 "[ . 1 . 2]" 1
290 3 28 ASP H 3 34 GLU HA 4.350 . 4.350 3.558 3.036 4.188 . 0 0 "[ . 1 . 2]" 1
291 3 28 ASP HA 3 29 PRO QD 3.530 . 3.530 1.982 1.954 1.993 . 0 0 "[ . 1 . 2]" 1
292 3 28 ASP HA 3 29 PRO QG 3.990 . 3.990 3.898 3.875 3.909 . 0 0 "[ . 1 . 2]" 1
293 3 28 ASP HA 3 30 ARG H 5.010 . 5.010 3.729 3.618 3.863 . 0 0 "[ . 1 . 2]" 1
294 3 28 ASP HA 3 55 LEU QD 4.640 . 4.640 4.697 4.610 4.809 0.169 3 0 "[ . 1 . 2]" 1
295 3 28 ASP QB 3 29 PRO QD 5.010 . 5.010 2.726 2.575 3.018 . 0 0 "[ . 1 . 2]" 1
296 3 28 ASP QB 3 31 THR H 5.420 . 5.420 2.675 2.276 2.985 . 0 0 "[ . 1 . 2]" 1
297 3 28 ASP QB 3 31 THR MG 4.980 . 4.980 3.659 2.251 4.752 . 0 0 "[ . 1 . 2]" 1
298 3 29 PRO HA 3 30 ARG QD 3.990 . 3.990 4.122 4.055 4.160 0.170 8 0 "[ . 1 . 2]" 1
299 3 29 PRO HA 3 32 GLY H 4.370 . 4.370 4.014 3.806 4.232 . 0 0 "[ . 1 . 2]" 1
300 3 29 PRO HA 3 55 LEU QD 5.500 . 5.500 5.316 4.584 5.558 0.058 20 0 "[ . 1 . 2]" 1
301 3 29 PRO QB 3 30 ARG H 4.690 . 4.690 3.571 3.469 3.684 . 0 0 "[ . 1 . 2]" 1
302 3 29 PRO QB 3 55 LEU QD 5.210 . 5.210 3.534 2.755 3.850 . 0 0 "[ . 1 . 2]" 1
303 3 29 PRO QD 3 30 ARG H 4.420 . 4.420 2.570 2.382 2.738 . 0 0 "[ . 1 . 2]" 1
304 3 29 PRO QD 3 30 ARG QD 4.860 . 4.860 2.581 2.184 3.529 . 0 0 "[ . 1 . 2]" 1
305 3 29 PRO QD 3 30 ARG QG 5.400 . 5.400 4.039 2.583 4.479 . 0 0 "[ . 1 . 2]" 1
306 3 29 PRO QD 3 55 LEU QD 3.680 . 3.680 3.124 3.018 3.337 . 0 0 "[ . 1 . 2]" 1
307 3 29 PRO QG 3 30 ARG H 4.500 . 4.500 3.054 2.850 3.278 . 0 0 "[ . 1 . 2]" 1
308 3 29 PRO QG 3 30 ARG QD 5.280 . 5.280 1.988 1.858 2.318 . 0 0 "[ . 1 . 2]" 1
309 3 29 PRO QG 3 55 LEU QD 3.490 . 3.490 2.315 1.861 2.679 . 0 0 "[ . 1 . 2]" 1
310 3 30 ARG H 3 30 ARG QD 4.470 . 4.470 2.166 1.922 2.608 . 0 0 "[ . 1 . 2]" 1
311 3 30 ARG H 3 30 ARG QG 4.280 . 4.280 3.159 1.943 3.511 . 0 0 "[ . 1 . 2]" 1
312 3 30 ARG H 3 31 THR H 3.370 . 3.370 2.405 2.320 2.563 . 0 0 "[ . 1 . 2]" 1
313 3 30 ARG H 3 31 THR HA 4.720 . 4.720 5.073 5.054 5.105 0.385 17 0 "[ . 1 . 2]" 1
314 3 30 ARG H 3 32 GLY H 4.320 . 4.320 3.570 3.402 3.754 . 0 0 "[ . 1 . 2]" 1
315 3 30 ARG HA 3 30 ARG QD 4.340 . 4.340 2.342 1.876 2.766 . 0 0 "[ . 1 . 2]" 1
316 3 30 ARG HA 3 31 THR MG 5.270 . 5.270 4.070 3.715 4.587 . 0 0 "[ . 1 . 2]" 1
317 3 30 ARG QB 3 31 THR H 4.850 . 4.850 2.612 2.313 2.948 . 0 0 "[ . 1 . 2]" 1
318 3 30 ARG QB 3 31 THR MG 3.780 . 3.780 2.517 2.164 2.914 . 0 0 "[ . 1 . 2]" 1
319 3 30 ARG QD 3 31 THR MG 4.980 . 4.980 4.779 4.309 5.013 0.033 3 0 "[ . 1 . 2]" 1
320 3 30 ARG QD 3 55 LEU QD 4.430 . 4.430 4.218 3.846 4.477 0.047 1 0 "[ . 1 . 2]" 1
321 3 31 THR H 3 31 THR MG 3.730 . 3.730 2.695 1.865 3.184 . 0 0 "[ . 1 . 2]" 1
322 3 31 THR H 3 32 GLY H 3.210 . 3.210 1.974 1.875 2.240 . 0 0 "[ . 1 . 2]" 1
323 3 31 THR H 3 32 GLY QA 4.860 . 4.860 3.953 3.830 4.163 . 0 0 "[ . 1 . 2]" 1
324 3 31 THR H 3 33 LYS H 4.210 . 4.210 3.744 3.034 4.171 . 0 0 "[ . 1 . 2]" 1
325 3 31 THR HA 3 31 THR HB 2.970 . 2.970 2.479 2.255 2.600 . 0 0 "[ . 1 . 2]" 1
326 3 31 THR HA 3 31 THR MG 2.930 . 2.930 2.343 2.106 3.009 0.079 15 0 "[ . 1 . 2]" 1
327 3 31 THR HB 3 33 LYS H 4.500 . 4.500 3.353 2.618 4.219 . 0 0 "[ . 1 . 2]" 1
328 3 31 THR MG 3 32 GLY H 5.490 . 5.490 3.865 2.472 4.267 . 0 0 "[ . 1 . 2]" 1
329 3 31 THR MG 3 33 LYS H 4.880 . 4.880 4.152 2.818 4.648 . 0 0 "[ . 1 . 2]" 1
330 3 32 GLY H 3 33 LYS H 3.490 . 3.490 2.510 2.373 2.609 . 0 0 "[ . 1 . 2]" 1
331 3 32 GLY H 3 33 LYS QG 6.000 . 6.000 5.702 3.793 6.043 0.043 11 0 "[ . 1 . 2]" 1
332 3 33 LYS H 3 33 LYS QB 3.640 . 3.640 2.068 1.948 2.684 . 0 0 "[ . 1 . 2]" 1
333 3 33 LYS H 3 33 LYS QD 3.430 . 3.430 2.757 2.183 3.620 0.190 17 0 "[ . 1 . 2]" 1
334 3 33 LYS H 3 33 LYS QG 4.020 . 4.020 3.563 1.926 3.979 . 0 0 "[ . 1 . 2]" 1
335 3 33 LYS HA 3 33 LYS QD 4.080 . 4.080 2.404 1.765 3.644 0.035 17 0 "[ . 1 . 2]" 1
336 3 33 LYS HA 3 33 LYS QG 3.470 . 3.470 2.350 1.847 3.253 . 0 0 "[ . 1 . 2]" 1
337 3 33 LYS HA 3 34 GLU H 3.080 . 3.080 2.666 2.613 2.730 . 0 0 "[ . 1 . 2]" 1
338 3 33 LYS QB 3 33 LYS QE 2.880 . 2.880 3.068 2.551 3.358 0.478 15 0 "[ . 1 . 2]" 1
339 3 33 LYS QB 3 34 GLU H 4.210 . 4.210 2.506 2.349 2.908 . 0 0 "[ . 1 . 2]" 1
340 3 33 LYS QE 3 33 LYS QG 3.420 . 3.420 2.025 1.890 2.203 . 0 0 "[ . 1 . 2]" 1
341 3 33 LYS QG 3 34 GLU H 4.570 . 4.570 3.031 1.971 4.345 . 0 0 "[ . 1 . 2]" 1
342 3 34 GLU H 3 34 GLU QB 3.920 . 3.920 2.623 2.052 3.306 . 0 0 "[ . 1 . 2]" 1
343 3 34 GLU H 3 34 GLU QG 4.790 . 4.790 2.924 2.056 4.033 . 0 0 "[ . 1 . 2]" 1
344 3 34 GLU H 3 35 PHE H 5.250 . 5.250 4.499 4.359 4.600 . 0 0 "[ . 1 . 2]" 1
345 3 34 GLU HA 3 35 PHE H 3.600 . 3.600 2.440 2.204 2.643 . 0 0 "[ . 1 . 2]" 1
346 3 34 GLU HA 3 35 PHE QD 4.740 . 4.740 3.960 3.176 4.760 0.020 8 0 "[ . 1 . 2]" 1
347 3 34 GLU QB 3 35 PHE H 3.960 . 3.960 2.390 1.926 3.087 . 0 0 "[ . 1 . 2]" 1
348 3 35 PHE H 3 35 PHE QD 4.590 . 4.590 3.679 2.605 4.260 . 0 0 "[ . 1 . 2]" 1
349 3 35 PHE H 3 36 GLY H . . 5.500 4.230 3.926 4.544 . 0 0 "[ . 1 . 2]" 1
350 3 35 PHE HA 3 35 PHE QD 3.900 . 3.900 2.560 1.948 2.988 . 0 0 "[ . 1 . 2]" 1
351 3 35 PHE HA 3 35 PHE QE 4.200 . 4.200 4.303 4.107 4.403 0.203 10 0 "[ . 1 . 2]" 1
352 3 35 PHE HA 3 36 GLY H 3.150 . 3.150 2.290 2.229 2.417 . 0 0 "[ . 1 . 2]" 1
353 3 35 PHE QB 3 36 GLY H 4.210 . 4.210 3.372 2.759 3.831 . 0 0 "[ . 1 . 2]" 1
354 3 35 PHE QB 3 37 LEU QD 4.690 . 4.690 3.765 2.628 4.694 0.004 12 0 "[ . 1 . 2]" 1
355 3 36 GLY H 3 37 LEU H 5.330 . 5.330 4.515 4.368 4.710 . 0 0 "[ . 1 . 2]" 1
356 3 37 LEU H 3 37 LEU QD 4.360 . 4.360 3.454 2.867 3.925 . 0 0 "[ . 1 . 2]" 1
357 3 37 LEU H 3 37 LEU HG 4.660 . 4.660 4.095 3.319 4.647 . 0 0 "[ . 1 . 2]" 1
358 3 37 LEU H 3 38 GLY H 3.790 . 3.790 2.728 2.125 3.105 . 0 0 "[ . 1 . 2]" 1
359 3 37 LEU H 3 44 ALA MB 4.870 . 4.870 4.396 3.872 4.877 0.007 11 0 "[ . 1 . 2]" 1
360 3 37 LEU HA 3 37 LEU QD 2.920 . 2.920 2.002 1.767 2.772 0.033 19 0 "[ . 1 . 2]" 1
361 3 37 LEU HA 3 37 LEU HG 4.240 . 4.240 2.740 1.968 3.522 . 0 0 "[ . 1 . 2]" 1
362 3 37 LEU HA 3 38 GLY QA 4.960 . 4.960 4.179 4.079 4.272 . 0 0 "[ . 1 . 2]" 1
363 3 37 LEU HA 3 44 ALA HA 4.750 . 4.750 4.860 4.777 4.952 0.202 1 0 "[ . 1 . 2]" 1
364 3 37 LEU QB 3 38 GLY H 4.490 . 4.490 3.024 1.888 3.839 . 0 0 "[ . 1 . 2]" 1
365 3 37 LEU QB 3 44 ALA HA 3.660 . 3.660 2.804 2.281 3.386 . 0 0 "[ . 1 . 2]" 1
366 3 37 LEU QB 3 44 ALA MB 3.780 . 3.780 2.178 1.950 2.515 . 0 0 "[ . 1 . 2]" 1
367 3 37 LEU QD 3 44 ALA HA 3.340 . 3.340 2.209 1.867 2.548 . 0 0 "[ . 1 . 2]" 1
368 3 37 LEU QD 3 47 GLU QG 3.800 . 3.800 2.662 1.900 3.848 0.048 14 0 "[ . 1 . 2]" 1
369 3 37 LEU QD 3 48 ALA H 4.090 . 4.090 3.257 2.766 4.093 0.003 18 0 "[ . 1 . 2]" 1
370 3 38 GLY H 3 39 ARG H 4.520 . 4.520 4.363 4.270 4.427 . 0 0 "[ . 1 . 2]" 1
371 3 38 GLY H 3 39 ARG HA 5.070 . 5.070 4.963 4.625 5.201 0.131 8 0 "[ . 1 . 2]" 1
372 3 38 GLY H 3 39 ARG HE 5.200 . 5.200 4.644 3.804 5.210 0.010 9 0 "[ . 1 . 2]" 1
373 3 38 GLY H 3 44 ALA MB 5.430 . 5.430 3.920 2.410 5.088 . 0 0 "[ . 1 . 2]" 1
374 3 38 GLY QA 3 39 ARG H 3.270 . 3.270 2.275 2.231 2.308 . 0 0 "[ . 1 . 2]" 1
375 3 38 GLY QA 3 44 ALA MB 5.400 . 5.400 3.750 3.055 4.484 . 0 0 "[ . 1 . 2]" 1
376 3 39 ARG H 3 39 ARG QB 3.360 . 3.360 2.544 2.334 2.672 . 0 0 "[ . 1 . 2]" 1
377 3 39 ARG H 3 39 ARG QD 3.570 . 3.570 2.514 2.003 3.641 0.071 11 0 "[ . 1 . 2]" 1
378 3 39 ARG H 3 39 ARG QG 4.090 . 4.090 2.253 2.145 2.390 . 0 0 "[ . 1 . 2]" 1
379 3 39 ARG H 3 40 ASP H 3.360 . 3.360 2.475 2.361 2.643 . 0 0 "[ . 1 . 2]" 1
380 3 39 ARG H 3 40 ASP QB 5.500 . 5.500 4.157 4.014 4.418 . 0 0 "[ . 1 . 2]" 1
381 3 39 ARG HA 3 39 ARG QD 4.680 . 4.680 4.042 3.935 4.194 . 0 0 "[ . 1 . 2]" 1
382 3 40 ASP H 3 40 ASP QB 3.420 . 3.420 2.087 2.037 2.186 . 0 0 "[ . 1 . 2]" 1
383 3 40 ASP H 3 43 ILE H 5.500 . 5.500 5.120 4.746 5.415 . 0 0 "[ . 1 . 2]" 1
384 3 40 ASP H 3 43 ILE HB 4.430 . 4.430 3.549 3.077 3.928 . 0 0 "[ . 1 . 2]" 1
385 3 40 ASP H 3 43 ILE QG 4.840 . 4.840 4.358 3.791 4.860 0.020 11 0 "[ . 1 . 2]" 1
386 3 40 ASP HA 3 41 ARG H 3.480 . 3.480 2.211 2.172 2.268 . 0 0 "[ . 1 . 2]" 1
387 3 40 ASP HA 3 42 ARG H 4.320 . 4.320 4.474 4.390 4.559 0.239 12 0 "[ . 1 . 2]" 1
388 3 40 ASP HA 3 43 ILE HB 4.940 . 4.940 4.106 3.931 4.174 . 0 0 "[ . 1 . 2]" 1
389 3 40 ASP HA 3 43 ILE QG 4.400 . 4.400 4.367 4.251 4.455 0.055 4 0 "[ . 1 . 2]" 1
390 3 40 ASP QB 3 43 ILE H 4.300 . 4.300 2.423 2.324 2.587 . 0 0 "[ . 1 . 2]" 1
391 3 40 ASP QB 3 43 ILE HB 3.750 . 3.750 1.773 1.733 1.837 0.067 11 0 "[ . 1 . 2]" 1
392 3 40 ASP QB 3 43 ILE MD 3.700 . 3.700 3.501 3.320 3.643 . 0 0 "[ . 1 . 2]" 1
393 3 40 ASP QB 3 43 ILE QG 4.800 . 4.800 1.986 1.768 2.171 0.032 20 0 "[ . 1 . 2]" 1
394 3 40 ASP QB 3 43 ILE MG 4.090 . 4.090 2.629 2.544 2.694 . 0 0 "[ . 1 . 2]" 1
395 3 41 ARG H 3 42 ARG H 4.000 . 4.000 2.673 2.615 2.922 . 0 0 "[ . 1 . 2]" 1
396 3 41 ARG H 3 43 ILE HB 4.070 . 4.070 4.415 4.377 4.442 0.372 11 0 "[ . 1 . 2]" 1
397 3 41 ARG H 3 45 ILE MD 5.500 . 5.500 4.910 4.437 5.350 . 0 0 "[ . 1 . 2]" 1
398 3 41 ARG QB 3 41 ARG QD 3.280 . 3.280 2.100 1.913 2.398 . 0 0 "[ . 1 . 2]" 1
399 3 41 ARG QB 3 42 ARG H 2.980 . 2.980 2.316 2.104 3.184 0.204 19 0 "[ . 1 . 2]" 1
400 3 41 ARG QB 3 42 ARG HA 4.580 . 4.580 4.141 3.793 4.382 . 0 0 "[ . 1 . 2]" 1
401 3 41 ARG QB 3 45 ILE MD 5.410 . 5.410 3.307 1.898 3.723 . 0 0 "[ . 1 . 2]" 1
402 3 41 ARG QD 3 42 ARG H 4.790 . 4.790 2.978 1.905 4.060 . 0 0 "[ . 1 . 2]" 1
403 3 41 ARG QD 3 42 ARG HA 4.250 . 4.250 3.230 2.216 4.291 0.041 10 0 "[ . 1 . 2]" 1
404 3 41 ARG QD 3 45 ILE MD 4.490 . 4.490 2.360 1.824 3.327 . 0 0 "[ . 1 . 2]" 1
405 3 42 ARG H 3 42 ARG QB 3.150 . 3.150 2.104 1.932 2.461 . 0 0 "[ . 1 . 2]" 1
406 3 42 ARG H 3 42 ARG QG 3.900 . 3.900 3.536 2.112 3.977 0.077 11 0 "[ . 1 . 2]" 1
407 3 42 ARG H 3 43 ILE H 3.310 . 3.310 2.587 2.553 2.623 . 0 0 "[ . 1 . 2]" 1
408 3 42 ARG H 3 43 ILE HA 5.500 . 5.500 5.266 5.231 5.302 . 0 0 "[ . 1 . 2]" 1
409 3 42 ARG H 3 45 ILE MD 5.500 . 5.500 3.947 3.466 4.322 . 0 0 "[ . 1 . 2]" 1
410 3 42 ARG HA 3 42 ARG QG 3.670 . 3.670 2.780 2.338 3.313 . 0 0 "[ . 1 . 2]" 1
411 3 42 ARG HA 3 43 ILE MD 5.140 . 5.140 5.204 5.160 5.242 0.102 20 0 "[ . 1 . 2]" 1
412 3 42 ARG HA 3 45 ILE H 4.590 . 4.590 4.085 3.796 4.277 . 0 0 "[ . 1 . 2]" 1
413 3 42 ARG HA 3 45 ILE HB 4.080 . 4.080 2.839 2.520 3.122 . 0 0 "[ . 1 . 2]" 1
414 3 42 ARG HA 3 45 ILE MD 4.220 . 4.220 2.902 2.336 3.743 . 0 0 "[ . 1 . 2]" 1
415 3 42 ARG QB 3 42 ARG QD 3.050 . 3.050 2.183 1.976 2.390 . 0 0 "[ . 1 . 2]" 1
416 3 42 ARG QD 3 43 ILE MD 4.530 . 4.530 3.858 1.838 4.446 . 0 0 "[ . 1 . 2]" 1
417 3 42 ARG QD 3 43 ILE QG 4.970 . 4.970 4.247 2.248 5.020 0.050 5 0 "[ . 1 . 2]" 1
418 3 42 ARG QG 3 43 ILE HA 4.940 . 4.940 3.354 2.899 4.029 . 0 0 "[ . 1 . 2]" 1
419 3 42 ARG QG 3 43 ILE MD 5.500 . 5.500 2.858 2.325 3.719 . 0 0 "[ . 1 . 2]" 1
420 3 42 ARG QG 3 43 ILE QG 4.190 . 4.190 3.225 2.069 4.232 0.042 11 0 "[ . 1 . 2]" 1
421 3 43 ILE H 3 43 ILE HB 3.210 . 3.210 2.157 2.108 2.209 . 0 0 "[ . 1 . 2]" 1
422 3 43 ILE H 3 43 ILE MD 4.080 . 4.080 3.333 3.235 3.405 . 0 0 "[ . 1 . 2]" 1
423 3 43 ILE H 3 43 ILE QG 3.650 . 3.650 2.315 2.169 2.480 . 0 0 "[ . 1 . 2]" 1
424 3 43 ILE H 3 43 ILE MG 3.900 . 3.900 3.632 3.607 3.649 . 0 0 "[ . 1 . 2]" 1
425 3 43 ILE H 3 44 ALA H 3.550 . 3.550 2.860 2.768 2.900 . 0 0 "[ . 1 . 2]" 1
426 3 43 ILE H 3 45 ILE H 5.500 . 5.500 4.058 3.870 4.254 . 0 0 "[ . 1 . 2]" 1
427 3 43 ILE HA 3 43 ILE MD 3.250 . 3.250 1.874 1.837 1.947 . 0 0 "[ . 1 . 2]" 1
428 3 43 ILE HA 3 43 ILE QG 3.600 . 3.600 2.861 2.844 2.902 . 0 0 "[ . 1 . 2]" 1
429 3 43 ILE HA 3 43 ILE MG 3.170 . 3.170 2.457 2.404 2.503 . 0 0 "[ . 1 . 2]" 1
430 3 43 ILE HA 3 44 ALA HA 4.900 . 4.900 4.842 4.821 4.862 . 0 0 "[ . 1 . 2]" 1
431 3 43 ILE HA 3 46 THR HB 3.450 . 3.450 2.725 2.578 2.862 . 0 0 "[ . 1 . 2]" 1
432 3 43 ILE HA 3 46 THR MG 4.210 . 4.210 3.646 3.589 3.732 . 0 0 "[ . 1 . 2]" 1
433 3 43 ILE HA 3 47 GLU H 4.350 . 4.350 4.096 3.829 4.348 . 0 0 "[ . 1 . 2]" 1
434 3 43 ILE HB 3 43 ILE MD 3.170 . 3.170 3.197 3.189 3.203 0.033 15 0 "[ . 1 . 2]" 1
435 3 43 ILE HB 3 44 ALA H 3.780 . 3.780 2.142 2.084 2.197 . 0 0 "[ . 1 . 2]" 1
436 3 43 ILE MD 3 46 THR HB 4.100 . 4.100 3.781 3.660 3.859 . 0 0 "[ . 1 . 2]" 1
437 3 43 ILE MD 3 46 THR MG 3.660 . 3.660 3.770 3.741 3.799 0.139 19 0 "[ . 1 . 2]" 1
438 3 43 ILE QG 3 43 ILE MG 3.100 . 3.100 2.172 2.121 2.260 . 0 0 "[ . 1 . 2]" 1
439 3 43 ILE MG 3 44 ALA H 3.380 . 3.380 2.578 2.427 2.875 . 0 0 "[ . 1 . 2]" 1
440 3 43 ILE MG 3 46 THR HB 4.590 . 4.590 4.292 4.098 4.482 . 0 0 "[ . 1 . 2]" 1
441 3 43 ILE MG 3 47 GLU H 4.410 . 4.410 4.253 4.043 4.425 0.015 20 0 "[ . 1 . 2]" 1
442 3 43 ILE MG 3 47 GLU QG 3.360 . 3.360 2.941 2.179 3.380 0.020 4 0 "[ . 1 . 2]" 1
443 3 44 ALA H 3 44 ALA MB 3.230 . 3.230 2.050 1.914 2.155 . 0 0 "[ . 1 . 2]" 1
444 3 44 ALA H 3 45 ILE H 3.850 . 3.850 2.867 2.770 2.956 . 0 0 "[ . 1 . 2]" 1
445 3 44 ALA H 3 47 GLU QG 5.500 . 5.500 4.868 4.237 5.267 . 0 0 "[ . 1 . 2]" 1
446 3 44 ALA HA 3 47 GLU H 4.100 . 4.100 3.687 3.557 3.776 . 0 0 "[ . 1 . 2]" 1
447 3 44 ALA MB 3 45 ILE H 3.460 . 3.460 2.395 2.240 2.565 . 0 0 "[ . 1 . 2]" 1
448 3 45 ILE H 3 45 ILE HB 3.510 . 3.510 2.224 2.099 2.304 . 0 0 "[ . 1 . 2]" 1
449 3 45 ILE H 3 45 ILE QG 3.200 . 3.200 2.443 2.142 3.192 . 0 0 "[ . 1 . 2]" 1
450 3 45 ILE H 3 45 ILE MG 3.790 . 3.790 3.656 3.585 3.682 . 0 0 "[ . 1 . 2]" 1
451 3 45 ILE H 3 46 THR H 3.680 . 3.680 2.804 2.744 2.909 . 0 0 "[ . 1 . 2]" 1
452 3 45 ILE H 3 47 GLU H 5.370 . 5.370 4.156 4.018 4.337 . 0 0 "[ . 1 . 2]" 1
453 3 45 ILE HA 3 45 ILE MG 3.500 . 3.500 2.475 2.396 2.593 . 0 0 "[ . 1 . 2]" 1
454 3 45 ILE HA 3 48 ALA H 4.390 . 4.390 3.633 3.464 3.749 . 0 0 "[ . 1 . 2]" 1
455 3 45 ILE HA 3 48 ALA MB 4.000 . 4.000 2.825 2.596 3.073 . 0 0 "[ . 1 . 2]" 1
456 3 45 ILE HB 3 46 THR HB 5.040 . 5.040 4.402 4.133 4.658 . 0 0 "[ . 1 . 2]" 1
457 3 45 ILE QG 3 45 ILE MG 3.030 . 3.030 2.118 1.936 2.305 . 0 0 "[ . 1 . 2]" 1
458 3 45 ILE MG 3 46 THR H 3.910 . 3.910 2.907 2.606 3.158 . 0 0 "[ . 1 . 2]" 1
459 3 45 ILE MG 3 46 THR MG 5.110 . 5.110 4.811 4.669 4.948 . 0 0 "[ . 1 . 2]" 1
460 3 45 ILE MG 3 47 GLU H 4.600 . 4.600 4.719 4.608 4.769 0.169 9 0 "[ . 1 . 2]" 1
461 3 46 THR H 3 46 THR HB 3.300 . 3.300 2.136 2.079 2.246 . 0 0 "[ . 1 . 2]" 1
462 3 46 THR H 3 46 THR MG 3.680 . 3.680 3.616 3.575 3.674 . 0 0 "[ . 1 . 2]" 1
463 3 46 THR H 3 47 GLU H 3.550 . 3.550 2.803 2.739 2.869 . 0 0 "[ . 1 . 2]" 1
464 3 46 THR H 3 48 ALA H 4.530 . 4.530 4.530 4.349 4.592 0.062 10 0 "[ . 1 . 2]" 1
465 3 46 THR H 3 48 ALA MB 5.180 . 5.180 5.000 4.849 5.096 . 0 0 "[ . 1 . 2]" 1
466 3 46 THR HA 3 46 THR MG 3.080 . 3.080 2.616 2.514 2.667 . 0 0 "[ . 1 . 2]" 1
467 3 46 THR HA 3 49 ILE HB 3.520 . 3.520 2.519 2.369 2.854 . 0 0 "[ . 1 . 2]" 1
468 3 46 THR HA 3 49 ILE MD 3.310 . 3.310 2.383 1.986 2.748 . 0 0 "[ . 1 . 2]" 1
469 3 46 THR HB 3 47 GLU H 3.200 . 3.200 2.646 2.529 2.741 . 0 0 "[ . 1 . 2]" 1
470 3 46 THR HB 3 47 GLU HA 4.700 . 4.700 4.667 4.530 4.733 0.033 18 0 "[ . 1 . 2]" 1
471 3 46 THR HB 3 47 GLU QB 4.810 . 4.810 4.441 4.264 4.728 . 0 0 "[ . 1 . 2]" 1
472 3 46 THR HB 3 47 GLU QG 4.870 . 4.870 4.018 3.267 4.817 . 0 0 "[ . 1 . 2]" 1
473 3 46 THR MG 3 47 GLU H 3.500 . 3.500 2.836 2.657 3.112 . 0 0 "[ . 1 . 2]" 1
474 3 46 THR MG 3 47 GLU HA 4.070 . 4.070 3.044 2.933 3.353 . 0 0 "[ . 1 . 2]" 1
475 3 46 THR MG 3 47 GLU QG 3.960 . 3.960 3.054 2.480 3.899 . 0 0 "[ . 1 . 2]" 1
476 3 46 THR MG 3 50 GLN QG 4.130 . 4.130 3.348 2.729 4.140 0.010 7 0 "[ . 1 . 2]" 1
477 3 47 GLU H 3 47 GLU QB 3.340 . 3.340 2.091 1.938 2.415 . 0 0 "[ . 1 . 2]" 1
478 3 47 GLU H 3 47 GLU QG 3.440 . 3.440 2.703 1.997 3.333 . 0 0 "[ . 1 . 2]" 1
479 3 47 GLU HA 3 47 GLU QG 3.720 . 3.720 2.288 1.951 2.635 . 0 0 "[ . 1 . 2]" 1
480 3 47 GLU QB 3 48 ALA H 3.610 . 3.610 2.396 2.208 2.500 . 0 0 "[ . 1 . 2]" 1
481 3 47 GLU QG 3 48 ALA H 5.390 . 5.390 4.184 3.838 4.327 . 0 0 "[ . 1 . 2]" 1
482 3 48 ALA H 3 48 ALA MB 3.130 . 3.130 2.040 1.918 2.145 . 0 0 "[ . 1 . 2]" 1
483 3 48 ALA MB 3 49 ILE H 4.040 . 4.040 2.652 2.459 2.717 . 0 0 "[ . 1 . 2]" 1
484 3 48 ALA MB 3 49 ILE QG 4.810 . 4.810 4.209 3.989 4.389 . 0 0 "[ . 1 . 2]" 1
485 3 48 ALA MB 3 50 GLN H 5.500 . 5.500 4.689 4.585 4.831 . 0 0 "[ . 1 . 2]" 1
486 3 49 ILE H 3 49 ILE HB 3.410 . 3.410 2.011 1.983 2.048 . 0 0 "[ . 1 . 2]" 1
487 3 49 ILE H 3 49 ILE MD 3.910 . 3.910 2.658 2.270 2.830 . 0 0 "[ . 1 . 2]" 1
488 3 49 ILE H 3 49 ILE QG 4.000 . 4.000 3.325 3.176 3.440 . 0 0 "[ . 1 . 2]" 1
489 3 49 ILE H 3 50 GLN H 3.690 . 3.690 2.787 2.720 2.886 . 0 0 "[ . 1 . 2]" 1
490 3 49 ILE HA 3 49 ILE QG 3.450 . 3.450 1.951 1.930 1.992 . 0 0 "[ . 1 . 2]" 1
491 3 49 ILE HA 3 49 ILE MG 3.160 . 3.160 2.741 2.692 2.786 . 0 0 "[ . 1 . 2]" 1
492 3 49 ILE HA 3 52 ASN QB 4.050 . 4.050 2.556 2.241 2.928 . 0 0 "[ . 1 . 2]" 1
493 3 49 ILE HA 3 52 ASN QD 4.070 . 4.070 2.088 1.929 2.789 . 0 0 "[ . 1 . 2]" 1
494 3 49 ILE HB 3 49 ILE MD 3.300 . 3.300 2.015 1.904 2.166 . 0 0 "[ . 1 . 2]" 1
495 3 49 ILE HB 3 50 GLN H 3.750 . 3.750 2.749 2.642 2.833 . 0 0 "[ . 1 . 2]" 1
496 3 49 ILE HB 3 50 GLN HA 4.820 . 4.820 4.894 4.840 4.952 0.132 3 0 "[ . 1 . 2]" 1
497 3 49 ILE HB 3 50 GLN QG 5.140 . 5.140 4.236 3.422 5.016 . 0 0 "[ . 1 . 2]" 1
498 3 49 ILE QG 3 50 GLN H 4.980 . 4.980 4.358 4.275 4.416 . 0 0 "[ . 1 . 2]" 1
499 3 49 ILE QG 3 52 ASN QB 5.190 . 5.190 3.881 3.714 4.163 . 0 0 "[ . 1 . 2]" 1
500 3 49 ILE MG 3 50 GLN H 3.690 . 3.690 2.364 2.147 2.606 . 0 0 "[ . 1 . 2]" 1
501 3 49 ILE MG 3 50 GLN HA 3.860 . 3.860 2.863 2.805 2.966 . 0 0 "[ . 1 . 2]" 1
502 3 49 ILE MG 3 50 GLN QG 3.640 . 3.640 2.601 2.008 3.119 . 0 0 "[ . 1 . 2]" 1
503 3 50 GLN H 3 50 GLN QB 3.210 . 3.210 2.106 1.929 2.462 . 0 0 "[ . 1 . 2]" 1
504 3 50 GLN H 3 50 GLN QG 3.970 . 3.970 2.677 1.929 3.304 . 0 0 "[ . 1 . 2]" 1
505 3 50 GLN H 3 51 ALA H 3.600 . 3.600 2.765 2.691 2.862 . 0 0 "[ . 1 . 2]" 1
506 3 50 GLN H 3 52 ASN H 5.090 . 5.090 4.075 3.889 4.219 . 0 0 "[ . 1 . 2]" 1
507 3 50 GLN HA 3 50 GLN QE 5.500 . 5.500 3.569 2.013 4.604 . 0 0 "[ . 1 . 2]" 1
508 3 50 GLN HA 3 50 GLN QG 2.860 . 2.860 2.325 2.087 2.720 . 0 0 "[ . 1 . 2]" 1
509 3 50 GLN HA 3 51 ALA H 3.320 . 3.320 3.546 3.524 3.561 0.241 15 0 "[ . 1 . 2]" 1
510 3 50 GLN HA 3 52 ASN H 4.330 . 4.330 4.316 4.269 4.339 0.009 20 0 "[ . 1 . 2]" 1
511 3 50 GLN HA 3 52 ASN QB 4.640 . 4.640 4.686 4.656 4.708 0.068 15 0 "[ . 1 . 2]" 1
512 3 50 GLN HA 3 53 ILE H 4.050 . 4.050 3.368 3.326 3.431 . 0 0 "[ . 1 . 2]" 1
513 3 50 GLN HA 3 53 ILE HB 3.700 . 3.700 3.324 3.213 3.547 . 0 0 "[ . 1 . 2]" 1
514 3 50 GLN HA 3 53 ILE MD 3.680 . 3.680 3.637 3.592 3.697 0.017 19 0 "[ . 1 . 2]" 1
515 3 50 GLN HA 3 53 ILE QG 4.730 . 4.730 1.952 1.912 2.052 . 0 0 "[ . 1 . 2]" 1
516 3 50 GLN QB 3 51 ALA H 3.500 . 3.500 2.458 2.289 2.690 . 0 0 "[ . 1 . 2]" 1
517 3 50 GLN QE 3 50 GLN QG 3.000 . 3.000 2.317 2.181 2.707 . 0 0 "[ . 1 . 2]" 1
518 3 51 ALA H 3 51 ALA MB 3.000 . 3.000 2.005 1.917 2.152 . 0 0 "[ . 1 . 2]" 1
519 3 51 ALA H 3 52 ASN H 3.710 . 3.710 2.694 2.668 2.734 . 0 0 "[ . 1 . 2]" 1
520 3 51 ALA H 3 52 ASN HA 5.500 . 5.500 5.358 5.332 5.393 . 0 0 "[ . 1 . 2]" 1
521 3 51 ALA H 3 52 ASN QB 5.500 . 5.500 4.484 4.303 4.622 . 0 0 "[ . 1 . 2]" 1
522 3 51 ALA H 3 53 ILE H 5.040 . 5.040 4.076 4.034 4.175 . 0 0 "[ . 1 . 2]" 1
523 3 51 ALA H 3 54 GLU H 5.500 . 5.500 5.078 5.012 5.122 . 0 0 "[ . 1 . 2]" 1
524 3 51 ALA HA 3 53 ILE QG 5.060 . 5.060 5.028 4.963 5.069 0.009 6 0 "[ . 1 . 2]" 1
525 3 51 ALA HA 3 54 GLU H 3.440 . 3.440 3.440 3.380 3.496 0.056 16 0 "[ . 1 . 2]" 1
526 3 51 ALA HA 3 54 GLU QB 4.990 . 4.990 3.020 2.957 3.126 . 0 0 "[ . 1 . 2]" 1
527 3 51 ALA HA 3 54 GLU QG 3.360 . 3.360 3.050 2.685 3.316 . 0 0 "[ . 1 . 2]" 1
528 3 51 ALA HA 3 55 LEU H 4.270 . 4.270 4.066 3.966 4.255 . 0 0 "[ . 1 . 2]" 1
529 3 51 ALA HA 3 55 LEU HG 4.650 . 4.650 4.553 4.017 4.673 0.023 2 0 "[ . 1 . 2]" 1
530 3 51 ALA MB 3 52 ASN H 3.470 . 3.470 2.568 2.470 2.663 . 0 0 "[ . 1 . 2]" 1
531 3 51 ALA MB 3 52 ASN HA 4.880 . 4.880 3.804 3.738 3.884 . 0 0 "[ . 1 . 2]" 1
532 3 52 ASN H 3 52 ASN QB 3.680 . 3.680 2.246 2.063 2.424 . 0 0 "[ . 1 . 2]" 1
533 3 52 ASN H 3 53 ILE H 3.750 . 3.750 2.677 2.657 2.709 . 0 0 "[ . 1 . 2]" 1
534 3 52 ASN H 3 53 ILE HB 5.020 . 5.020 4.962 4.915 5.036 0.016 10 0 "[ . 1 . 2]" 1
535 3 52 ASN H 3 53 ILE QG 5.500 . 5.500 3.933 3.833 4.013 . 0 0 "[ . 1 . 2]" 1
536 3 52 ASN H 3 54 GLU H 5.260 . 5.260 4.428 4.322 4.524 . 0 0 "[ . 1 . 2]" 1
537 3 52 ASN H 3 55 LEU HG 5.500 . 5.500 5.322 4.667 5.502 0.002 1 0 "[ . 1 . 2]" 1
538 3 52 ASN HA 3 54 GLU H 5.500 . 5.500 4.574 4.444 4.771 . 0 0 "[ . 1 . 2]" 1
539 3 52 ASN HA 3 55 LEU H 4.300 . 4.300 3.299 3.206 3.401 . 0 0 "[ . 1 . 2]" 1
540 3 52 ASN HA 3 55 LEU HA 4.820 . 4.820 4.929 4.863 4.982 0.162 16 0 "[ . 1 . 2]" 1
541 3 52 ASN HA 3 55 LEU QB 3.400 . 3.400 1.974 1.929 2.077 . 0 0 "[ . 1 . 2]" 1
542 3 52 ASN HA 3 55 LEU QD 3.670 . 3.670 2.290 1.904 2.786 . 0 0 "[ . 1 . 2]" 1
543 3 52 ASN HA 3 55 LEU HG 4.110 . 4.110 3.805 3.305 4.052 . 0 0 "[ . 1 . 2]" 1
544 3 52 ASN QB 3 53 ILE H 3.770 . 3.770 2.712 2.640 2.771 . 0 0 "[ . 1 . 2]" 1
545 3 52 ASN QB 3 53 ILE MD 4.700 . 4.700 2.524 2.415 2.598 . 0 0 "[ . 1 . 2]" 1
546 3 52 ASN QB 3 55 LEU QB 4.710 . 4.710 3.809 3.702 3.933 . 0 0 "[ . 1 . 2]" 1
547 3 52 ASN QB 3 55 LEU QD 5.490 . 5.490 3.935 3.536 4.314 . 0 0 "[ . 1 . 2]" 1
548 3 53 ILE H 3 53 ILE HB 3.170 . 3.170 2.549 2.525 2.600 . 0 0 "[ . 1 . 2]" 1
549 3 53 ILE H 3 53 ILE MD 3.900 . 3.900 2.258 2.180 2.296 . 0 0 "[ . 1 . 2]" 1
550 3 53 ILE H 3 53 ILE QG 3.710 . 3.710 2.045 1.946 2.111 . 0 0 "[ . 1 . 2]" 1
551 3 53 ILE H 3 54 GLU H 3.650 . 3.650 2.681 2.630 2.733 . 0 0 "[ . 1 . 2]" 1
552 3 53 ILE HA 3 53 ILE MD 3.130 . 3.130 1.856 1.847 1.869 . 0 0 "[ . 1 . 2]" 1
553 3 53 ILE HA 3 53 ILE QG 3.570 . 3.570 3.150 3.138 3.178 . 0 0 "[ . 1 . 2]" 1
554 3 53 ILE HA 3 53 ILE MG 3.130 . 3.130 2.254 2.166 2.374 . 0 0 "[ . 1 . 2]" 1
555 3 53 ILE HA 3 56 PHE H 4.750 . 4.750 3.608 3.522 3.739 . 0 0 "[ . 1 . 2]" 1
556 3 53 ILE HA 3 56 PHE QB 4.170 . 4.170 3.037 2.636 3.413 . 0 0 "[ . 1 . 2]" 1
557 3 53 ILE HB 3 54 GLU H 3.010 . 3.010 2.260 2.167 2.352 . 0 0 "[ . 1 . 2]" 1
558 3 53 ILE HB 3 54 GLU QG 2.810 . 2.810 2.792 2.710 2.891 0.081 20 0 "[ . 1 . 2]" 1
559 3 53 ILE MD 3 54 GLU H 4.040 . 4.040 4.134 4.108 4.150 0.110 19 0 "[ . 1 . 2]" 1
560 3 53 ILE MD 3 54 GLU QG 5.300 . 5.300 5.069 4.971 5.192 . 0 0 "[ . 1 . 2]" 1
561 3 53 ILE MD 3 56 PHE H 5.500 . 5.500 4.707 4.609 4.838 . 0 0 "[ . 1 . 2]" 1
562 3 53 ILE MD 3 56 PHE QB 4.730 . 4.730 3.911 3.595 4.320 . 0 0 "[ . 1 . 2]" 1
563 3 53 ILE MD 3 56 PHE QD 4.980 . 4.980 3.984 3.161 4.740 . 0 0 "[ . 1 . 2]" 1
564 3 53 ILE QG 3 54 GLU QG 5.050 . 5.050 4.304 4.228 4.381 . 0 0 "[ . 1 . 2]" 1
565 3 53 ILE MG 3 54 GLU H 3.870 . 3.870 3.445 3.361 3.542 . 0 0 "[ . 1 . 2]" 1
566 3 53 ILE MG 3 54 GLU HA 3.910 . 3.910 3.808 3.704 3.913 0.003 7 0 "[ . 1 . 2]" 1
567 3 53 ILE MG 3 54 GLU QG 4.220 . 4.220 3.502 3.303 3.712 . 0 0 "[ . 1 . 2]" 1
568 3 53 ILE MG 3 56 PHE QD 5.500 . 5.500 5.327 4.601 5.555 0.055 10 0 "[ . 1 . 2]" 1
569 3 54 GLU H 3 54 GLU QB 3.450 . 3.450 2.406 2.338 2.481 . 0 0 "[ . 1 . 2]" 1
570 3 54 GLU H 3 54 GLU QG 3.530 . 3.530 1.991 1.915 2.112 . 0 0 "[ . 1 . 2]" 1
571 3 54 GLU H 3 55 LEU H 3.080 . 3.080 2.632 2.595 2.670 . 0 0 "[ . 1 . 2]" 1
572 3 54 GLU H 3 56 PHE QB 5.500 . 5.500 5.167 4.751 5.516 0.016 7 0 "[ . 1 . 2]" 1
573 3 54 GLU HA 3 54 GLU QG 3.560 . 3.560 2.617 2.358 2.962 . 0 0 "[ . 1 . 2]" 1
574 3 54 GLU HA 3 55 LEU H 3.570 . 3.570 3.559 3.528 3.575 0.005 1 0 "[ . 1 . 2]" 1
575 3 54 GLU QB 3 55 LEU H 4.210 . 4.210 2.439 2.330 2.600 . 0 0 "[ . 1 . 2]" 1
576 3 54 GLU QB 3 55 LEU HG 4.950 . 4.950 3.603 3.260 4.078 . 0 0 "[ . 1 . 2]" 1
577 3 54 GLU QG 3 55 LEU H 4.190 . 4.190 3.847 3.725 3.963 . 0 0 "[ . 1 . 2]" 1
578 3 55 LEU H 3 55 LEU QB 3.160 . 3.160 2.078 1.959 2.250 . 0 0 "[ . 1 . 2]" 1
579 3 55 LEU H 3 55 LEU QD 3.610 . 3.610 3.250 3.050 3.411 . 0 0 "[ . 1 . 2]" 1
580 3 55 LEU H 3 55 LEU HG 3.540 . 3.540 2.685 2.252 3.080 . 0 0 "[ . 1 . 2]" 1
581 3 55 LEU H 3 56 PHE QB 5.500 . 5.500 4.578 4.395 4.818 . 0 0 "[ . 1 . 2]" 1
582 3 55 LEU HA 3 55 LEU QD 3.200 . 3.200 2.076 1.873 2.250 . 0 0 "[ . 1 . 2]" 1
583 3 55 LEU HA 3 55 LEU HG 3.190 . 3.190 2.578 2.415 2.961 . 0 0 "[ . 1 . 2]" 1
584 3 55 LEU HA 3 56 PHE HA 4.600 . 4.600 4.662 4.634 4.701 0.101 17 0 "[ . 1 . 2]" 1
585 3 55 LEU QB 3 55 LEU QD 2.890 . 2.890 1.889 1.835 1.935 . 0 0 "[ . 1 . 2]" 1
586 3 55 LEU QB 3 56 PHE H 3.300 . 3.300 2.736 2.483 2.942 . 0 0 "[ . 1 . 2]" 1
587 3 55 LEU QB 3 56 PHE QB 4.790 . 4.790 4.018 3.869 4.119 . 0 0 "[ . 1 . 2]" 1
588 3 55 LEU QB 3 57 SER H 5.500 . 5.500 4.463 4.292 4.740 . 0 0 "[ . 1 . 2]" 1
589 3 56 PHE H 3 56 PHE QB 3.150 . 3.150 2.182 2.070 2.363 . 0 0 "[ . 1 . 2]" 1
590 3 56 PHE H 3 56 PHE QD 4.790 . 4.790 3.073 2.081 3.544 . 0 0 "[ . 1 . 2]" 1
591 3 56 PHE HA 3 56 PHE QD 3.250 . 3.250 2.243 1.940 3.028 . 0 0 "[ . 1 . 2]" 1
592 3 56 PHE HA 3 58 GLY H 3.880 . 3.880 3.449 3.306 3.849 . 0 0 "[ . 1 . 2]" 1
593 3 56 PHE QB 3 57 SER H 4.930 . 4.930 3.394 2.458 3.458 . 0 0 "[ . 1 . 2]" 1
594 3 56 PHE QB 3 57 SER HA 5.070 . 5.070 4.228 3.977 4.280 . 0 0 "[ . 1 . 2]" 1
595 3 57 SER H 3 57 SER QB 3.360 . 3.360 2.192 2.029 2.428 . 0 0 "[ . 1 . 2]" 1
596 3 57 SER HA 3 57 SER QB 2.430 . 2.430 2.402 2.197 2.478 0.048 14 0 "[ . 1 . 2]" 1
597 3 58 GLY QA 3 59 HIS HA 4.860 . 4.860 4.027 3.998 4.129 . 0 0 "[ . 1 . 2]" 1
598 3 59 HIS HA 3 59 HIS QB 2.660 . 2.660 2.471 2.202 2.550 . 0 0 "[ . 1 . 2]" 1
599 3 59 HIS QB 3 60 LYS HA 4.430 . 4.430 4.342 3.833 4.496 0.066 18 0 "[ . 1 . 2]" 1
600 3 60 LYS HA 3 60 LYS QG 3.850 . 3.850 2.436 2.071 3.368 . 0 0 "[ . 1 . 2]" 1
601 3 60 LYS HA 3 63 PRO QD 2.790 . 2.790 2.923 2.884 2.954 0.164 2 0 "[ . 1 . 2]" 1
602 3 60 LYS QB 3 63 PRO QD 4.250 . 4.250 2.968 2.147 3.915 . 0 0 "[ . 1 . 2]" 1
603 3 60 LYS QB 3 63 PRO QG 3.660 . 3.660 2.741 1.903 3.544 . 0 0 "[ . 1 . 2]" 1
604 3 60 LYS QD 3 63 PRO QD 4.870 . 4.870 3.891 2.083 4.868 . 0 0 "[ . 1 . 2]" 1
605 3 60 LYS QG 3 63 PRO QD 4.440 . 4.440 3.436 1.913 4.172 . 0 0 "[ . 1 . 2]" 1
606 3 63 PRO HA 3 64 LEU H 2.630 . 2.630 2.324 2.213 2.656 0.026 19 0 "[ . 1 . 2]" 1
607 3 63 PRO HA 3 64 LEU HG 4.370 . 4.370 3.980 3.581 4.378 0.008 15 0 "[ . 1 . 2]" 1
608 3 63 PRO QB 3 64 LEU H 4.160 . 4.160 3.034 2.177 3.600 . 0 0 "[ . 1 . 2]" 1
609 3 63 PRO QD 3 64 LEU H 5.500 . 5.500 4.954 4.835 5.025 . 0 0 "[ . 1 . 2]" 1
610 3 63 PRO QG 3 64 LEU H 4.710 . 4.710 4.488 3.839 4.751 0.041 3 0 "[ . 1 . 2]" 1
611 3 64 LEU H 3 64 LEU QB 3.290 . 3.290 2.475 2.053 3.220 . 0 0 "[ . 1 . 2]" 1
612 3 64 LEU HA 3 64 LEU QD 3.850 . 3.850 2.659 1.893 3.439 . 0 0 "[ . 1 . 2]" 1
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