NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
428213 |
2i4k   |
7302 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2i4k
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 617
_Distance_constraint_stats_list.Viol_count 436
_Distance_constraint_stats_list.Viol_total 1166.281
_Distance_constraint_stats_list.Viol_max 1.528
_Distance_constraint_stats_list.Viol_rms 0.1066
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0189
_Distance_constraint_stats_list.Viol_average_violations_only 0.2675
_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 2 PHE 0.000 0.000 . 0 "[ . 1]"
1 3 ASP 0.000 0.000 . 0 "[ . 1]"
1 4 LEU 7.395 0.662 4 1 "[ +. 1]"
1 5 THR 0.739 0.212 6 0 "[ . 1]"
1 6 VAL 5.874 0.256 7 0 "[ . 1]"
1 7 GLY 0.000 0.000 . 0 "[ . 1]"
1 8 ILE 1.873 0.232 10 0 "[ . 1]"
1 9 THR 11.882 1.001 6 10 [*****+*-**]
1 10 ASP 4.287 0.850 6 3 "[ .+*- 1]"
1 11 PRO 0.835 0.163 7 0 "[ . 1]"
1 12 GLU 1.208 0.222 3 0 "[ . 1]"
1 13 LYS 0.170 0.132 6 0 "[ . 1]"
1 14 ILE 2.829 0.222 3 0 "[ . 1]"
1 15 GLY 0.157 0.075 1 0 "[ . 1]"
1 16 ASP 0.604 0.604 2 1 "[ + . 1]"
1 19 ASN 0.000 0.000 . 0 "[ . 1]"
1 20 ALA 0.735 0.604 2 1 "[ + . 1]"
1 21 TYR 1.093 0.211 10 0 "[ . 1]"
1 22 VAL 1.020 0.272 6 0 "[ . 1]"
1 23 ALA 1.656 0.272 6 0 "[ . 1]"
1 24 TYR 1.837 0.232 10 0 "[ . 1]"
1 25 LYS 12.760 1.001 6 9 "[****-+ ***]"
1 26 VAL 0.655 0.281 10 0 "[ . 1]"
1 27 THR 0.003 0.003 10 0 "[ . 1]"
1 28 THR 3.314 0.279 3 0 "[ . 1]"
1 29 GLN 0.719 0.212 6 0 "[ . 1]"
1 30 THR 1.849 0.662 4 1 "[ +. 1]"
1 31 SER 11.623 1.528 5 10 [****+****-]
1 32 LEU 0.000 0.000 . 0 "[ . 1]"
1 33 PRO 0.000 0.000 . 0 "[ . 1]"
1 34 LEU 0.000 0.000 . 0 "[ . 1]"
1 35 PHE 0.121 0.045 5 0 "[ . 1]"
1 36 ARG 0.197 0.089 7 0 "[ . 1]"
1 37 SER 11.699 1.528 5 10 [****+****-]
1 39 GLN 0.000 0.000 . 0 "[ . 1]"
1 40 PHE 4.147 0.525 10 3 "[ . - *+]"
1 41 ALA 4.576 0.525 10 3 "[ . - *+]"
1 42 VAL 2.205 0.423 7 0 "[ . 1]"
1 43 LYS 4.274 0.492 1 0 "[ . 1]"
1 44 ARG 0.071 0.039 6 0 "[ . 1]"
1 45 ARG 0.000 0.000 . 0 "[ . 1]"
1 48 ASP 0.000 0.000 . 0 "[ . 1]"
1 49 PHE 0.000 0.000 . 0 "[ . 1]"
1 50 LEU 0.245 0.134 1 0 "[ . 1]"
1 51 GLY 0.055 0.034 3 0 "[ . 1]"
1 52 LEU 3.300 0.325 3 0 "[ . 1]"
1 53 TYR 0.569 0.088 6 0 "[ . 1]"
1 54 GLU 0.000 0.000 . 0 "[ . 1]"
1 55 LYS 0.000 0.000 . 0 "[ . 1]"
1 56 LEU 0.061 0.061 3 0 "[ . 1]"
1 57 SER 0.000 0.000 . 0 "[ . 1]"
1 58 GLU 0.000 0.000 . 0 "[ . 1]"
1 59 LYS 0.000 0.000 . 0 "[ . 1]"
1 60 HIS 0.000 0.000 . 0 "[ . 1]"
1 65 PHE 0.000 0.000 . 0 "[ . 1]"
1 71 PRO 6.334 0.703 3 9 "[**+ **-***]"
1 76 ILE 0.019 0.019 1 0 "[ . 1]"
1 91 ALA 0.000 0.000 . 0 "[ . 1]"
1 92 GLU 0.000 0.000 . 0 "[ . 1]"
1 93 PHE 0.000 0.000 . 0 "[ . 1]"
1 94 LEU 6.513 1.085 4 7 "[ **+** * -]"
1 95 GLU 0.000 0.000 . 0 "[ . 1]"
1 96 LYS 0.000 0.000 . 0 "[ . 1]"
1 97 ARG 0.000 0.000 . 0 "[ . 1]"
1 98 ARG 0.000 0.000 . 0 "[ . 1]"
1 99 ALA 0.000 0.000 . 0 "[ . 1]"
1 100 ALA 1.298 0.219 10 0 "[ . 1]"
1 101 LEU 0.036 0.036 8 0 "[ . 1]"
1 102 GLU 5.175 0.497 5 0 "[ . 1]"
1 103 ARG 1.864 0.365 9 0 "[ . 1]"
1 104 TYR 0.259 0.148 8 0 "[ . 1]"
1 105 LEU 4.460 0.243 10 0 "[ . 1]"
1 106 GLN 7.180 0.497 5 0 "[ . 1]"
1 107 ARG 0.000 0.000 . 0 "[ . 1]"
1 108 ILE 6.491 0.578 1 1 "[+ . 1]"
1 109 VAL 5.604 0.276 1 0 "[ . 1]"
1 110 ASN 0.000 0.000 . 0 "[ . 1]"
1 111 HIS 5.686 0.726 4 8 "[* *+*-***1]"
1 113 THR 6.351 0.782 9 8 "[** *-* *+*]"
1 114 MET 18.585 0.782 9 10 [******-*+*]
1 115 LEU 1.531 0.203 9 0 "[ . 1]"
1 116 GLN 0.264 0.140 3 0 "[ . 1]"
1 117 ASP 0.231 0.097 8 0 "[ . 1]"
1 118 PRO 0.000 0.000 . 0 "[ . 1]"
1 119 ASP 0.000 0.000 . 0 "[ . 1]"
1 120 VAL 5.711 0.325 3 0 "[ . 1]"
1 121 ARG 0.753 0.475 10 0 "[ . 1]"
1 122 GLU 0.769 0.475 10 0 "[ . 1]"
1 123 PHE 2.858 0.281 7 0 "[ . 1]"
1 124 LEU 0.079 0.024 10 0 "[ . 1]"
1 125 GLU 0.465 0.219 8 0 "[ . 1]"
1 126 LYS 0.096 0.034 9 0 "[ . 1]"
1 127 GLU 12.168 1.445 6 10 [**-**+****]
1 128 GLU 12.130 1.445 6 10 [**-**+****]
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 2 PHE QD 1 4 LEU QD 5.000 . 5.000 3.048 2.255 3.317 . 0 0 "[ . 1]" 1
2 1 2 PHE QD 1 32 LEU QD 5.000 . 5.000 3.063 2.178 3.327 . 0 0 "[ . 1]" 1
3 1 3 ASP HA 1 32 LEU QD 5.000 . 5.000 3.713 3.663 3.738 . 0 0 "[ . 1]" 1
4 1 3 ASP QB 1 31 SER H 5.000 . 5.000 3.624 2.903 4.318 . 0 0 "[ . 1]" 1
5 1 4 LEU HA 1 4 LEU HG 3.500 . 3.500 2.605 2.177 3.656 0.156 3 0 "[ . 1]" 1
6 1 4 LEU HA 1 5 THR H 3.500 . 3.500 2.166 2.141 2.244 . 0 0 "[ . 1]" 1
7 1 4 LEU HA 1 29 GLN H 5.000 . 5.000 3.868 3.475 4.247 . 0 0 "[ . 1]" 1
8 1 4 LEU QB 1 5 THR H 5.000 . 5.000 3.807 3.568 3.942 . 0 0 "[ . 1]" 1
9 1 4 LEU QD 1 5 THR H 5.000 . 5.000 3.117 2.537 3.632 . 0 0 "[ . 1]" 1
10 1 4 LEU QD 1 6 VAL HB 5.000 . 5.000 3.477 2.875 3.738 . 0 0 "[ . 1]" 1
11 1 4 LEU QD 1 28 THR MG 3.500 . 3.500 1.679 1.521 1.785 0.279 3 0 "[ . 1]" 1
12 1 4 LEU QD 1 30 THR HB 3.500 . 3.500 2.596 1.813 3.115 . 0 0 "[ . 1]" 1
13 1 4 LEU QD 1 30 THR MG 3.500 . 3.500 2.329 1.836 2.698 . 0 0 "[ . 1]" 1
14 1 4 LEU QD 1 36 ARG QG 3.500 . 3.500 3.201 2.764 3.328 . 0 0 "[ . 1]" 1
15 1 4 LEU QD 1 105 LEU QD 3.500 . 3.500 2.763 2.709 2.784 . 0 0 "[ . 1]" 1
16 1 4 LEU QD 1 109 VAL HA 3.500 . 3.500 3.368 3.092 3.768 0.268 4 0 "[ . 1]" 1
17 1 4 LEU QD 1 109 VAL HB 3.500 . 3.500 1.785 1.680 1.931 0.120 8 0 "[ . 1]" 1
18 1 4 LEU QD 1 109 VAL QG 3.500 . 3.500 1.634 1.593 1.738 0.207 10 0 "[ . 1]" 1
19 1 4 LEU HG 1 5 THR H 5.000 . 5.000 3.474 2.185 5.015 0.015 4 0 "[ . 1]" 1
20 1 4 LEU HG 1 28 THR MG 5.000 . 5.000 2.252 1.819 3.269 . 0 0 "[ . 1]" 1
21 1 4 LEU HG 1 30 THR MG 3.500 . 3.500 3.321 2.413 4.162 0.662 4 1 "[ +. 1]" 1
22 1 4 LEU HG 1 109 VAL QG 3.500 . 3.500 3.532 2.732 3.776 0.276 1 0 "[ . 1]" 1
23 1 5 THR H 1 28 THR HA 5.000 . 5.000 4.315 3.771 4.587 . 0 0 "[ . 1]" 1
24 1 5 THR H 1 28 THR MG 5.000 . 5.000 3.518 2.904 4.062 . 0 0 "[ . 1]" 1
25 1 5 THR H 1 29 GLN H 5.000 . 5.000 2.674 2.229 3.157 . 0 0 "[ . 1]" 1
26 1 5 THR H 1 29 GLN QB 5.000 . 5.000 3.924 2.837 4.464 . 0 0 "[ . 1]" 1
27 1 5 THR H 1 30 THR HA 5.000 . 5.000 4.093 3.613 4.555 . 0 0 "[ . 1]" 1
28 1 5 THR H 1 30 THR HB 5.000 . 5.000 4.025 3.787 4.570 . 0 0 "[ . 1]" 1
29 1 5 THR HA 1 5 THR MG 3.500 . 3.500 2.624 2.320 3.227 . 0 0 "[ . 1]" 1
30 1 5 THR HA 1 6 VAL H 3.500 . 3.500 2.167 2.132 2.211 . 0 0 "[ . 1]" 1
31 1 5 THR HB 1 6 VAL H 5.000 . 5.000 4.373 4.252 4.451 . 0 0 "[ . 1]" 1
32 1 5 THR HB 1 29 GLN H 5.000 . 5.000 4.435 3.971 5.017 0.017 7 0 "[ . 1]" 1
33 1 5 THR HB 1 29 GLN QB 5.000 . 5.000 4.244 2.504 4.472 . 0 0 "[ . 1]" 1
34 1 5 THR MG 1 6 VAL H 5.000 . 5.000 3.375 2.652 4.065 . 0 0 "[ . 1]" 1
35 1 5 THR MG 1 6 VAL HA 5.000 . 5.000 3.939 3.679 4.165 . 0 0 "[ . 1]" 1
36 1 5 THR MG 1 29 GLN QG 3.500 . 3.500 3.465 3.096 3.712 0.212 6 0 "[ . 1]" 1
37 1 6 VAL H 1 7 GLY H 5.000 . 5.000 4.382 4.118 4.545 . 0 0 "[ . 1]" 1
38 1 6 VAL HA 1 7 GLY H 3.500 . 3.500 2.231 2.130 2.435 . 0 0 "[ . 1]" 1
39 1 6 VAL HA 1 28 THR HA 3.500 . 3.500 2.338 2.137 2.797 . 0 0 "[ . 1]" 1
40 1 6 VAL HA 1 28 THR MG 5.000 . 5.000 4.078 3.565 4.180 . 0 0 "[ . 1]" 1
41 1 6 VAL HA 1 29 GLN H 5.000 . 5.000 3.653 3.009 4.067 . 0 0 "[ . 1]" 1
42 1 6 VAL HB 1 7 GLY H 5.000 . 5.000 3.557 2.919 4.046 . 0 0 "[ . 1]" 1
43 1 6 VAL HB 1 26 VAL HA 5.000 . 5.000 4.619 4.219 5.064 0.064 5 0 "[ . 1]" 1
44 1 6 VAL HB 1 105 LEU QD 3.500 . 3.500 3.516 3.137 3.722 0.222 1 0 "[ . 1]" 1
45 1 6 VAL QG 1 7 GLY H 5.000 . 5.000 2.405 1.979 2.931 . 0 0 "[ . 1]" 1
46 1 6 VAL QG 1 8 ILE HA 5.000 . 5.000 3.761 3.719 3.797 . 0 0 "[ . 1]" 1
47 1 6 VAL QG 1 28 THR HB 3.500 . 3.500 3.711 3.532 3.756 0.256 7 0 "[ . 1]" 1
48 1 6 VAL QG 1 28 THR MG 3.500 . 3.500 2.269 1.814 2.973 . 0 0 "[ . 1]" 1
49 1 6 VAL QG 1 29 GLN H 5.000 . 5.000 3.548 2.852 3.783 . 0 0 "[ . 1]" 1
50 1 6 VAL QG 1 105 LEU QD 3.500 . 3.500 1.787 1.578 2.289 0.222 3 0 "[ . 1]" 1
51 1 6 VAL QG 1 106 GLN HA 3.500 . 3.500 3.692 3.502 3.745 0.245 3 0 "[ . 1]" 1
52 1 6 VAL QG 1 106 GLN QG 5.000 . 5.000 3.036 2.573 3.287 . 0 0 "[ . 1]" 1
53 1 7 GLY H 1 27 THR H 5.000 . 5.000 3.084 2.750 3.349 . 0 0 "[ . 1]" 1
54 1 7 GLY H 1 27 THR HB 5.000 . 5.000 2.940 2.641 3.225 . 0 0 "[ . 1]" 1
55 1 7 GLY H 1 27 THR MG 5.000 . 5.000 4.139 3.860 4.179 . 0 0 "[ . 1]" 1
56 1 7 GLY QA 1 8 ILE H 5.000 . 5.000 2.133 2.112 2.157 . 0 0 "[ . 1]" 1
57 1 8 ILE H 1 8 ILE QG 5.000 . 5.000 2.910 2.440 3.340 . 0 0 "[ . 1]" 1
58 1 8 ILE H 1 102 GLU QG 5.000 . 5.000 3.103 2.215 3.883 . 0 0 "[ . 1]" 1
59 1 8 ILE HA 1 8 ILE MG 3.500 . 3.500 2.499 2.352 2.583 . 0 0 "[ . 1]" 1
60 1 8 ILE HA 1 9 THR H 5.000 . 5.000 2.164 2.108 2.240 . 0 0 "[ . 1]" 1
61 1 8 ILE HB 1 8 ILE MD 3.500 . 3.500 2.176 2.025 2.399 . 0 0 "[ . 1]" 1
62 1 8 ILE MD 1 101 LEU QB 5.000 . 5.000 1.975 1.764 2.380 0.036 8 0 "[ . 1]" 1
63 1 8 ILE MD 1 101 LEU QD 5.000 . 5.000 2.468 1.840 3.006 . 0 0 "[ . 1]" 1
64 1 8 ILE MD 1 102 GLU H 5.000 . 5.000 2.313 1.927 2.893 . 0 0 "[ . 1]" 1
65 1 8 ILE MD 1 102 GLU HA 3.500 . 3.500 1.929 1.807 2.095 . 0 0 "[ . 1]" 1
66 1 8 ILE MD 1 105 LEU H 5.000 . 5.000 4.205 4.176 4.249 . 0 0 "[ . 1]" 1
67 1 8 ILE QG 1 9 THR H 5.000 . 5.000 4.054 3.881 4.258 . 0 0 "[ . 1]" 1
68 1 8 ILE MG 1 9 THR H 5.000 . 5.000 2.779 2.710 2.899 . 0 0 "[ . 1]" 1
69 1 8 ILE MG 1 24 TYR QB 3.500 . 3.500 3.676 3.420 3.732 0.232 10 0 "[ . 1]" 1
70 1 8 ILE MG 1 24 TYR QD 3.500 . 3.500 2.384 1.901 2.860 . 0 0 "[ . 1]" 1
71 1 8 ILE MG 1 24 TYR QE 5.000 . 5.000 2.954 1.954 3.717 . 0 0 "[ . 1]" 1
72 1 8 ILE MG 1 25 LYS H 5.000 . 5.000 3.757 3.027 4.180 . 0 0 "[ . 1]" 1
73 1 8 ILE MG 1 99 ALA H 5.000 . 5.000 4.194 4.162 4.219 . 0 0 "[ . 1]" 1
74 1 9 THR H 1 25 LYS H 5.000 . 5.000 3.913 3.684 4.160 . 0 0 "[ . 1]" 1
75 1 9 THR H 1 26 VAL HA 5.000 . 5.000 4.606 4.118 4.984 . 0 0 "[ . 1]" 1
76 1 9 THR HA 1 9 THR MG 3.500 . 3.500 2.339 2.101 3.205 . 0 0 "[ . 1]" 1
77 1 9 THR HA 1 10 ASP H 5.000 . 5.000 2.191 2.089 2.360 . 0 0 "[ . 1]" 1
78 1 9 THR HB 1 10 ASP H 3.500 . 3.500 3.816 3.073 4.350 0.850 6 3 "[ .+*- 1]" 1
79 1 9 THR HB 1 25 LYS QB 3.500 . 3.500 4.317 3.461 4.501 1.001 6 9 "[****-+ ***]" 1
80 1 9 THR MG 1 10 ASP H 5.000 . 5.000 2.738 2.252 3.783 . 0 0 "[ . 1]" 1
81 1 10 ASP H 1 11 PRO QD 5.000 . 5.000 2.776 1.950 3.772 . 0 0 "[ . 1]" 1
82 1 10 ASP H 1 11 PRO QG 5.000 . 5.000 4.321 3.986 4.610 . 0 0 "[ . 1]" 1
83 1 10 ASP HA 1 11 PRO QD 5.000 . 5.000 2.753 1.637 3.501 0.163 7 0 "[ . 1]" 1
84 1 10 ASP QB 1 11 PRO QG 5.000 . 5.000 4.048 4.003 4.095 . 0 0 "[ . 1]" 1
85 1 11 PRO HA 1 12 GLU H 3.500 . 3.500 2.212 2.119 2.319 . 0 0 "[ . 1]" 1
86 1 11 PRO HA 1 22 VAL QG 3.500 . 3.500 2.364 2.096 2.765 . 0 0 "[ . 1]" 1
87 1 11 PRO HA 1 23 ALA H 5.000 . 5.000 3.813 3.025 4.597 . 0 0 "[ . 1]" 1
88 1 11 PRO HA 1 25 LYS H 5.000 . 5.000 4.135 3.602 4.725 . 0 0 "[ . 1]" 1
89 1 11 PRO QB 1 22 VAL QG 5.000 . 5.000 1.902 1.706 2.181 0.094 6 0 "[ . 1]" 1
90 1 11 PRO QG 1 22 VAL QG 5.000 . 5.000 3.330 3.304 3.364 . 0 0 "[ . 1]" 1
91 1 12 GLU H 1 12 GLU QG 5.000 . 5.000 2.042 1.945 2.206 . 0 0 "[ . 1]" 1
92 1 12 GLU H 1 13 LYS H 5.000 . 5.000 4.493 4.407 4.607 . 0 0 "[ . 1]" 1
93 1 12 GLU H 1 22 VAL QG 5.000 . 5.000 2.468 1.902 3.046 . 0 0 "[ . 1]" 1
94 1 12 GLU H 1 23 ALA H 5.000 . 5.000 3.267 2.831 3.872 . 0 0 "[ . 1]" 1
95 1 12 GLU H 1 23 ALA MB 5.000 . 5.000 3.602 3.194 4.102 . 0 0 "[ . 1]" 1
96 1 12 GLU QB 1 13 LYS H 5.000 . 5.000 2.603 2.189 3.081 . 0 0 "[ . 1]" 1
97 1 12 GLU QB 1 14 ILE MD 3.500 . 3.500 3.566 3.114 3.722 0.222 3 0 "[ . 1]" 1
98 1 12 GLU QG 1 13 LYS H 5.000 . 5.000 3.945 3.324 4.333 . 0 0 "[ . 1]" 1
99 1 12 GLU QG 1 14 ILE MD 5.000 . 5.000 2.280 1.798 3.264 0.002 2 0 "[ . 1]" 1
100 1 12 GLU QG 1 23 ALA MB 5.000 . 5.000 3.205 1.899 3.739 . 0 0 "[ . 1]" 1
101 1 13 LYS H 1 13 LYS QD 5.000 . 5.000 4.203 3.782 4.464 . 0 0 "[ . 1]" 1
102 1 13 LYS H 1 13 LYS QG 5.000 . 5.000 4.009 3.953 4.058 . 0 0 "[ . 1]" 1
103 1 13 LYS HA 1 13 LYS QG 3.500 . 3.500 2.644 2.231 2.944 . 0 0 "[ . 1]" 1
104 1 13 LYS HA 1 14 ILE H 3.500 . 3.500 2.168 2.099 2.244 . 0 0 "[ . 1]" 1
105 1 13 LYS HA 1 14 ILE MD 5.000 . 5.000 3.498 2.703 4.081 . 0 0 "[ . 1]" 1
106 1 13 LYS HA 1 21 TYR H 5.000 . 5.000 4.779 4.436 5.022 0.022 6 0 "[ . 1]" 1
107 1 13 LYS HA 1 22 VAL QG 3.500 . 3.500 2.357 1.907 2.951 . 0 0 "[ . 1]" 1
108 1 13 LYS HA 1 23 ALA H 5.000 . 5.000 4.222 3.249 5.001 0.001 2 0 "[ . 1]" 1
109 1 13 LYS QB 1 13 LYS QD 3.500 . 3.500 2.126 1.947 2.375 . 0 0 "[ . 1]" 1
110 1 13 LYS QB 1 14 ILE H 5.000 . 5.000 3.755 3.468 3.961 . 0 0 "[ . 1]" 1
111 1 13 LYS QB 1 22 VAL QG 5.000 . 5.000 3.228 2.695 3.364 . 0 0 "[ . 1]" 1
112 1 13 LYS QD 1 20 ALA MB 3.500 . 3.500 2.271 1.848 3.632 0.132 6 0 "[ . 1]" 1
113 1 13 LYS QD 1 21 TYR H 5.000 . 5.000 3.790 2.856 4.461 . 0 0 "[ . 1]" 1
114 1 13 LYS QD 1 22 VAL QG 3.500 . 3.500 2.798 2.175 3.221 . 0 0 "[ . 1]" 1
115 1 13 LYS QE 1 13 LYS QG 3.500 . 3.500 2.166 1.945 2.720 . 0 0 "[ . 1]" 1
116 1 13 LYS QE 1 20 ALA MB 3.500 . 3.500 2.453 1.899 3.451 . 0 0 "[ . 1]" 1
117 1 13 LYS QG 1 14 ILE H 5.000 . 5.000 2.863 2.073 3.624 . 0 0 "[ . 1]" 1
118 1 13 LYS QG 1 21 TYR H 5.000 . 5.000 3.832 3.287 4.470 . 0 0 "[ . 1]" 1
119 1 14 ILE H 1 14 ILE MD 5.000 . 5.000 2.663 2.114 3.685 . 0 0 "[ . 1]" 1
120 1 14 ILE H 1 14 ILE QG 5.000 . 5.000 2.910 1.949 3.883 . 0 0 "[ . 1]" 1
121 1 14 ILE H 1 20 ALA MB 5.000 . 5.000 3.712 2.934 4.185 . 0 0 "[ . 1]" 1
122 1 14 ILE H 1 21 TYR H 5.000 . 5.000 3.474 3.082 3.985 . 0 0 "[ . 1]" 1
123 1 14 ILE H 1 22 VAL HA 5.000 . 5.000 2.463 1.799 3.248 0.001 9 0 "[ . 1]" 1
124 1 14 ILE H 1 22 VAL QG 5.000 . 5.000 3.458 2.974 3.707 . 0 0 "[ . 1]" 1
125 1 14 ILE H 1 23 ALA H 5.000 . 5.000 3.979 3.264 4.976 . 0 0 "[ . 1]" 1
126 1 14 ILE HA 1 14 ILE MD 3.500 . 3.500 2.420 1.840 3.156 . 0 0 "[ . 1]" 1
127 1 14 ILE HA 1 14 ILE MG 3.500 . 3.500 2.397 2.101 2.901 . 0 0 "[ . 1]" 1
128 1 14 ILE HA 1 15 GLY H 3.500 . 3.500 2.802 2.153 3.575 0.075 1 0 "[ . 1]" 1
129 1 14 ILE HB 1 14 ILE MD 3.500 . 3.500 2.743 2.043 3.215 . 0 0 "[ . 1]" 1
130 1 14 ILE HB 1 15 GLY H 5.000 . 5.000 3.176 2.056 4.279 . 0 0 "[ . 1]" 1
131 1 14 ILE HB 1 21 TYR H 5.000 . 5.000 3.405 2.753 4.223 . 0 0 "[ . 1]" 1
132 1 14 ILE HB 1 21 TYR QE 5.000 . 5.000 2.701 1.969 3.122 . 0 0 "[ . 1]" 1
133 1 14 ILE MD 1 14 ILE MG 3.500 . 3.500 2.700 1.941 3.238 . 0 0 "[ . 1]" 1
134 1 14 ILE MD 1 15 GLY H 5.000 . 5.000 4.022 3.839 4.274 . 0 0 "[ . 1]" 1
135 1 14 ILE MD 1 21 TYR QD 5.000 . 5.000 3.697 3.468 3.776 . 0 0 "[ . 1]" 1
136 1 14 ILE MD 1 21 TYR QE 5.000 . 5.000 3.609 2.916 3.724 . 0 0 "[ . 1]" 1
137 1 14 ILE MD 1 23 ALA H 5.000 . 5.000 2.012 1.811 2.612 . 0 0 "[ . 1]" 1
138 1 14 ILE MD 1 23 ALA MB 3.500 . 3.500 1.806 1.665 2.034 0.135 7 0 "[ . 1]" 1
139 1 14 ILE QG 1 15 GLY H 5.000 . 5.000 4.076 2.864 4.490 . 0 0 "[ . 1]" 1
140 1 14 ILE QG 1 23 ALA MB 3.500 . 3.500 2.345 1.822 3.036 . 0 0 "[ . 1]" 1
141 1 14 ILE MG 1 15 GLY H 5.000 . 5.000 2.346 1.871 3.819 . 0 0 "[ . 1]" 1
142 1 14 ILE MG 1 15 GLY QA 5.000 . 5.000 3.072 2.651 3.721 . 0 0 "[ . 1]" 1
143 1 14 ILE MG 1 21 TYR H 5.000 . 5.000 4.074 3.184 4.211 . 0 0 "[ . 1]" 1
144 1 14 ILE MG 1 21 TYR QD 3.500 . 3.500 3.563 3.122 3.711 0.211 10 0 "[ . 1]" 1
145 1 14 ILE MG 1 21 TYR QE 5.000 . 5.000 2.252 1.994 2.530 . 0 0 "[ . 1]" 1
146 1 14 ILE MG 1 23 ALA MB 5.000 . 5.000 3.499 3.480 3.531 . 0 0 "[ . 1]" 1
147 1 15 GLY QA 1 16 ASP H 5.000 . 5.000 2.294 2.110 2.497 . 0 0 "[ . 1]" 1
148 1 15 GLY QA 1 20 ALA MB 5.000 . 5.000 2.981 1.893 3.642 . 0 0 "[ . 1]" 1
149 1 16 ASP HA 1 20 ALA MB 3.500 . 3.500 2.477 1.948 4.104 0.604 2 1 "[ + . 1]" 1
150 1 16 ASP QB 1 20 ALA MB 5.000 . 5.000 3.689 3.536 3.734 . 0 0 "[ . 1]" 1
151 1 19 ASN HA 1 20 ALA H 5.000 . 5.000 2.455 2.221 2.785 . 0 0 "[ . 1]" 1
152 1 20 ALA H 1 20 ALA MB 3.500 . 3.500 2.288 2.110 2.532 . 0 0 "[ . 1]" 1
153 1 20 ALA HA 1 21 TYR H 3.500 . 3.500 2.304 2.185 2.372 . 0 0 "[ . 1]" 1
154 1 20 ALA MB 1 21 TYR H 3.500 . 3.500 2.568 2.407 2.795 . 0 0 "[ . 1]" 1
155 1 21 TYR H 1 21 TYR QD 5.000 . 5.000 3.184 2.957 3.328 . 0 0 "[ . 1]" 1
156 1 21 TYR H 1 21 TYR QE 5.000 . 5.000 4.352 4.234 4.468 . 0 0 "[ . 1]" 1
157 1 21 TYR HA 1 22 VAL H 5.000 . 5.000 2.422 2.311 2.577 . 0 0 "[ . 1]" 1
158 1 21 TYR HA 1 22 VAL HB 5.000 . 5.000 4.806 4.634 5.014 0.014 10 0 "[ . 1]" 1
159 1 21 TYR HA 1 22 VAL QG 5.000 . 5.000 3.568 3.473 3.713 . 0 0 "[ . 1]" 1
160 1 21 TYR QB 1 22 VAL H 5.000 . 5.000 2.457 2.088 2.715 . 0 0 "[ . 1]" 1
161 1 21 TYR QD 1 22 VAL H 5.000 . 5.000 3.237 2.746 3.531 . 0 0 "[ . 1]" 1
162 1 21 TYR QD 1 23 ALA MB 5.000 . 5.000 3.749 3.726 3.777 . 0 0 "[ . 1]" 1
163 1 21 TYR QE 1 23 ALA MB 3.500 . 3.500 3.234 2.874 3.454 . 0 0 "[ . 1]" 1
164 1 22 VAL H 1 23 ALA H 5.000 . 5.000 4.470 4.416 4.506 . 0 0 "[ . 1]" 1
165 1 22 VAL HA 1 23 ALA MB 5.000 . 5.000 3.796 3.763 3.825 . 0 0 "[ . 1]" 1
166 1 22 VAL QG 1 23 ALA H 5.000 . 5.000 1.761 1.528 2.026 0.272 6 0 "[ . 1]" 1
167 1 22 VAL QG 1 23 ALA MB 5.000 . 5.000 3.207 3.188 3.220 . 0 0 "[ . 1]" 1
168 1 22 VAL QG 1 24 TYR QD 5.000 . 5.000 3.301 3.211 3.323 . 0 0 "[ . 1]" 1
169 1 22 VAL QG 1 24 TYR QE 5.000 . 5.000 3.132 2.834 3.311 . 0 0 "[ . 1]" 1
170 1 22 VAL QG 1 94 LEU QD 5.000 . 5.000 2.681 2.426 2.762 . 0 0 "[ . 1]" 1
171 1 23 ALA HA 1 24 TYR H 3.500 . 3.500 2.493 2.177 2.652 . 0 0 "[ . 1]" 1
172 1 23 ALA MB 1 24 TYR H 5.000 . 5.000 2.356 1.986 3.321 . 0 0 "[ . 1]" 1
173 1 23 ALA MB 1 43 LYS HA 5.000 . 5.000 3.435 2.829 3.998 . 0 0 "[ . 1]" 1
174 1 23 ALA MB 1 43 LYS QB 3.500 . 3.500 2.698 1.867 3.731 0.231 9 0 "[ . 1]" 1
175 1 23 ALA MB 1 43 LYS QE 5.000 . 5.000 3.628 2.943 3.769 . 0 0 "[ . 1]" 1
176 1 23 ALA MB 1 44 ARG H 5.000 . 5.000 3.466 2.956 4.092 . 0 0 "[ . 1]" 1
177 1 23 ALA MB 1 45 ARG HA 5.000 . 5.000 4.127 3.931 4.190 . 0 0 "[ . 1]" 1
178 1 24 TYR H 1 24 TYR QD 5.000 . 5.000 3.238 2.545 3.711 . 0 0 "[ . 1]" 1
179 1 24 TYR H 1 44 ARG H 5.000 . 5.000 2.141 1.922 2.516 . 0 0 "[ . 1]" 1
180 1 24 TYR H 1 45 ARG HA 5.000 . 5.000 4.244 3.495 4.777 . 0 0 "[ . 1]" 1
181 1 24 TYR HA 1 25 LYS H 5.000 . 5.000 2.155 2.123 2.188 . 0 0 "[ . 1]" 1
182 1 24 TYR QB 1 25 LYS H 5.000 . 5.000 3.528 3.216 3.711 . 0 0 "[ . 1]" 1
183 1 24 TYR QB 1 26 VAL H 5.000 . 5.000 3.994 3.862 4.137 . 0 0 "[ . 1]" 1
184 1 24 TYR QB 1 26 VAL QG 3.500 . 3.500 2.510 2.318 2.793 . 0 0 "[ . 1]" 1
185 1 24 TYR QB 1 44 ARG H 5.000 . 5.000 2.789 2.477 3.184 . 0 0 "[ . 1]" 1
186 1 24 TYR QB 1 101 LEU QD 5.000 . 5.000 3.324 3.308 3.338 . 0 0 "[ . 1]" 1
187 1 24 TYR QD 1 26 VAL QG 3.500 . 3.500 3.328 3.318 3.341 . 0 0 "[ . 1]" 1
188 1 24 TYR QD 1 44 ARG H 5.000 . 5.000 4.475 4.445 4.490 . 0 0 "[ . 1]" 1
189 1 24 TYR QE 1 101 LEU QD 5.000 . 5.000 2.294 1.811 2.756 . 0 0 "[ . 1]" 1
190 1 25 LYS H 1 25 LYS QD 5.000 . 5.000 4.354 4.028 4.468 . 0 0 "[ . 1]" 1
191 1 25 LYS H 1 25 LYS QG 5.000 . 5.000 3.950 3.598 4.078 . 0 0 "[ . 1]" 1
192 1 25 LYS HA 1 26 VAL H 3.500 . 3.500 2.236 2.218 2.261 . 0 0 "[ . 1]" 1
193 1 25 LYS HA 1 44 ARG H 5.000 . 5.000 4.744 4.435 5.039 0.039 6 0 "[ . 1]" 1
194 1 25 LYS QD 1 41 ALA MB 3.500 . 3.500 2.764 1.801 3.716 0.216 10 0 "[ . 1]" 1
195 1 25 LYS QE 1 41 ALA MB 3.500 . 3.500 2.431 1.836 3.304 . 0 0 "[ . 1]" 1
196 1 25 LYS QE 1 43 LYS QG 3.500 . 3.500 3.874 3.416 3.992 0.492 1 0 "[ . 1]" 1
197 1 25 LYS QG 1 26 VAL H 5.000 . 5.000 3.864 3.492 4.431 . 0 0 "[ . 1]" 1
198 1 26 VAL H 1 42 VAL H 5.000 . 5.000 2.919 2.629 3.299 . 0 0 "[ . 1]" 1
199 1 26 VAL H 1 42 VAL QG 5.000 . 5.000 3.563 3.122 3.727 . 0 0 "[ . 1]" 1
200 1 26 VAL H 1 43 LYS HA 5.000 . 5.000 3.800 3.286 4.393 . 0 0 "[ . 1]" 1
201 1 26 VAL H 1 44 ARG H 5.000 . 5.000 4.718 4.203 4.985 . 0 0 "[ . 1]" 1
202 1 26 VAL HA 1 27 THR H 3.500 . 3.500 2.236 2.199 2.296 . 0 0 "[ . 1]" 1
203 1 26 VAL HA 1 42 VAL H 5.000 . 5.000 4.629 4.306 5.021 0.021 8 0 "[ . 1]" 1
204 1 26 VAL HB 1 42 VAL QG 3.500 . 3.500 2.979 1.913 3.781 0.281 10 0 "[ . 1]" 1
205 1 26 VAL QG 1 27 THR H 5.000 . 5.000 3.311 3.043 3.709 . 0 0 "[ . 1]" 1
206 1 26 VAL QG 1 28 THR H 5.000 . 5.000 3.120 2.645 3.776 . 0 0 "[ . 1]" 1
207 1 26 VAL QG 1 42 VAL H 5.000 . 5.000 3.510 2.618 3.736 . 0 0 "[ . 1]" 1
208 1 26 VAL QG 1 105 LEU QD 3.500 . 3.500 2.532 2.211 2.764 . 0 0 "[ . 1]" 1
209 1 27 THR HA 1 27 THR MG 3.500 . 3.500 2.372 2.131 2.505 . 0 0 "[ . 1]" 1
210 1 27 THR HA 1 28 THR H 5.000 . 5.000 2.378 2.285 2.453 . 0 0 "[ . 1]" 1
211 1 27 THR HA 1 41 ALA HA 3.500 . 3.500 1.986 1.797 2.831 0.003 10 0 "[ . 1]" 1
212 1 27 THR HA 1 41 ALA MB 3.500 . 3.500 2.449 1.930 2.924 . 0 0 "[ . 1]" 1
213 1 27 THR HA 1 42 VAL H 5.000 . 5.000 3.627 3.296 4.525 . 0 0 "[ . 1]" 1
214 1 27 THR HB 1 41 ALA MB 5.000 . 5.000 4.016 3.481 4.200 . 0 0 "[ . 1]" 1
215 1 27 THR MG 1 28 THR H 5.000 . 5.000 3.740 3.556 3.921 . 0 0 "[ . 1]" 1
216 1 27 THR MG 1 40 PHE H 5.000 . 5.000 4.014 3.521 4.208 . 0 0 "[ . 1]" 1
217 1 27 THR MG 1 40 PHE HA 5.000 . 5.000 3.770 3.100 4.179 . 0 0 "[ . 1]" 1
218 1 27 THR MG 1 41 ALA MB 3.500 . 3.500 2.742 2.125 3.208 . 0 0 "[ . 1]" 1
219 1 28 THR H 1 40 PHE H 5.000 . 5.000 4.319 3.715 4.768 . 0 0 "[ . 1]" 1
220 1 28 THR HA 1 28 THR MG 3.500 . 3.500 2.367 2.108 2.498 . 0 0 "[ . 1]" 1
221 1 28 THR HA 1 29 GLN H 3.500 . 3.500 2.225 2.150 2.269 . 0 0 "[ . 1]" 1
222 1 28 THR MG 1 29 GLN H 5.000 . 5.000 2.238 1.959 2.895 . 0 0 "[ . 1]" 1
223 1 28 THR MG 1 29 GLN HA 5.000 . 5.000 3.670 3.347 4.165 . 0 0 "[ . 1]" 1
224 1 28 THR MG 1 30 THR H 5.000 . 5.000 4.019 3.446 4.185 . 0 0 "[ . 1]" 1
225 1 28 THR MG 1 30 THR MG 3.500 . 3.500 2.732 2.339 2.999 . 0 0 "[ . 1]" 1
226 1 28 THR MG 1 124 LEU QD 5.000 . 5.000 2.780 1.958 3.097 . 0 0 "[ . 1]" 1
227 1 29 GLN H 1 29 GLN QG 5.000 . 5.000 2.580 1.991 4.163 . 0 0 "[ . 1]" 1
228 1 29 GLN H 1 30 THR MG 5.000 . 5.000 4.193 4.172 4.216 . 0 0 "[ . 1]" 1
229 1 29 GLN HA 1 30 THR H 3.500 . 3.500 2.126 2.072 2.175 . 0 0 "[ . 1]" 1
230 1 29 GLN HA 1 40 PHE H 5.000 . 5.000 3.470 3.336 3.770 . 0 0 "[ . 1]" 1
231 1 29 GLN QB 1 30 THR H 5.000 . 5.000 3.350 3.141 3.596 . 0 0 "[ . 1]" 1
232 1 29 GLN QB 1 31 SER H 5.000 . 5.000 4.503 4.483 4.557 . 0 0 "[ . 1]" 1
233 1 29 GLN QB 1 40 PHE H 5.000 . 5.000 4.250 3.713 4.496 . 0 0 "[ . 1]" 1
234 1 29 GLN QG 1 30 THR H 5.000 . 5.000 4.251 2.851 4.486 . 0 0 "[ . 1]" 1
235 1 30 THR H 1 31 SER H 5.000 . 5.000 3.787 3.638 3.929 . 0 0 "[ . 1]" 1
236 1 30 THR H 1 39 GLN HA 5.000 . 5.000 3.589 3.135 4.793 . 0 0 "[ . 1]" 1
237 1 30 THR H 1 40 PHE H 5.000 . 5.000 4.972 4.622 5.047 0.047 7 0 "[ . 1]" 1
238 1 30 THR HA 1 30 THR MG 3.500 . 3.500 3.186 3.166 3.197 . 0 0 "[ . 1]" 1
239 1 30 THR HA 1 31 SER H 5.000 . 5.000 2.144 2.112 2.159 . 0 0 "[ . 1]" 1
240 1 30 THR HA 1 32 LEU H 5.000 . 5.000 3.658 3.274 4.270 . 0 0 "[ . 1]" 1
241 1 30 THR MG 1 31 SER H 5.000 . 5.000 4.239 4.213 4.258 . 0 0 "[ . 1]" 1
242 1 30 THR MG 1 32 LEU H 5.000 . 5.000 3.937 3.571 4.179 . 0 0 "[ . 1]" 1
243 1 30 THR MG 1 35 PHE QB 5.000 . 5.000 3.646 3.177 3.757 . 0 0 "[ . 1]" 1
244 1 30 THR MG 1 36 ARG QG 3.500 . 3.500 2.046 1.711 3.171 0.089 7 0 "[ . 1]" 1
245 1 31 SER H 1 32 LEU H 5.000 . 5.000 2.956 2.563 3.588 . 0 0 "[ . 1]" 1
246 1 31 SER H 1 32 LEU QB 5.000 . 5.000 4.451 4.372 4.534 . 0 0 "[ . 1]" 1
247 1 31 SER H 1 32 LEU QD 5.000 . 5.000 3.301 2.662 3.714 . 0 0 "[ . 1]" 1
248 1 31 SER HA 1 32 LEU H 5.000 . 5.000 3.077 2.540 3.456 . 0 0 "[ . 1]" 1
249 1 31 SER HA 1 37 SER H 3.500 . 3.500 4.662 4.192 5.028 1.528 5 10 [****+****-] 1
250 1 31 SER QB 1 32 LEU H 5.000 . 5.000 3.452 2.890 4.002 . 0 0 "[ . 1]" 1
251 1 31 SER QB 1 32 LEU QD 5.000 . 5.000 3.246 2.932 3.319 . 0 0 "[ . 1]" 1
252 1 32 LEU H 1 32 LEU QD 5.000 . 5.000 2.464 1.824 3.228 . 0 0 "[ . 1]" 1
253 1 32 LEU QB 1 33 PRO QD 5.000 . 5.000 2.573 1.864 3.857 . 0 0 "[ . 1]" 1
254 1 32 LEU QB 1 34 LEU QD 5.000 . 5.000 2.369 1.826 3.156 . 0 0 "[ . 1]" 1
255 1 32 LEU QD 1 33 PRO QD 5.000 . 5.000 2.775 1.889 3.309 . 0 0 "[ . 1]" 1
256 1 32 LEU QD 1 34 LEU QD 5.000 . 5.000 2.545 1.843 2.771 . 0 0 "[ . 1]" 1
257 1 33 PRO HA 1 34 LEU H 5.000 . 5.000 2.852 2.380 3.528 . 0 0 "[ . 1]" 1
258 1 34 LEU H 1 34 LEU QD 5.000 . 5.000 2.982 1.918 3.538 . 0 0 "[ . 1]" 1
259 1 34 LEU H 1 34 LEU HG 5.000 . 5.000 3.478 2.323 4.490 . 0 0 "[ . 1]" 1
260 1 34 LEU H 1 35 PHE H 5.000 . 5.000 2.524 2.262 3.567 . 0 0 "[ . 1]" 1
261 1 34 LEU HA 1 35 PHE H 5.000 . 5.000 3.485 2.940 3.578 . 0 0 "[ . 1]" 1
262 1 34 LEU QB 1 35 PHE H 5.000 . 5.000 2.638 2.101 3.758 . 0 0 "[ . 1]" 1
263 1 34 LEU QD 1 35 PHE H 5.000 . 5.000 3.552 3.087 3.800 . 0 0 "[ . 1]" 1
264 1 34 LEU HG 1 35 PHE H 5.000 . 5.000 4.057 2.187 4.720 . 0 0 "[ . 1]" 1
265 1 35 PHE H 1 35 PHE QD 5.000 . 5.000 3.988 3.244 4.459 . 0 0 "[ . 1]" 1
266 1 35 PHE H 1 36 ARG QG 5.000 . 5.000 4.101 3.699 4.474 . 0 0 "[ . 1]" 1
267 1 35 PHE HA 1 36 ARG H 5.000 . 5.000 2.778 2.196 3.563 . 0 0 "[ . 1]" 1
268 1 35 PHE HA 1 37 SER H 5.000 . 5.000 4.561 3.397 5.031 0.031 8 0 "[ . 1]" 1
269 1 35 PHE QB 1 36 ARG H 5.000 . 5.000 2.459 1.755 3.910 0.045 5 0 "[ . 1]" 1
270 1 36 ARG H 1 36 ARG QG 5.000 . 5.000 2.817 1.907 3.841 . 0 0 "[ . 1]" 1
271 1 36 ARG HA 1 36 ARG QD 5.000 . 5.000 2.241 1.965 3.182 . 0 0 "[ . 1]" 1
272 1 36 ARG HA 1 37 SER H 5.000 . 5.000 3.552 3.453 3.572 . 0 0 "[ . 1]" 1
273 1 36 ARG QB 1 36 ARG QD 3.500 . 3.500 2.391 2.037 2.991 . 0 0 "[ . 1]" 1
274 1 36 ARG QB 1 37 SER H 5.000 . 5.000 2.107 1.809 2.934 . 0 0 "[ . 1]" 1
275 1 36 ARG QG 1 37 SER H 5.000 . 5.000 3.641 3.394 4.148 . 0 0 "[ . 1]" 1
276 1 37 SER HA 1 39 GLN H 5.000 . 5.000 4.224 3.466 4.943 . 0 0 "[ . 1]" 1
277 1 37 SER QB 1 39 GLN H 5.000 . 5.000 4.239 3.989 4.502 . 0 0 "[ . 1]" 1
278 1 39 GLN H 1 39 GLN QG 5.000 . 5.000 3.038 2.605 4.209 . 0 0 "[ . 1]" 1
279 1 39 GLN H 1 40 PHE H 5.000 . 5.000 4.277 3.697 4.574 . 0 0 "[ . 1]" 1
280 1 39 GLN HA 1 39 GLN QG 3.500 . 3.500 2.816 2.429 3.347 . 0 0 "[ . 1]" 1
281 1 39 GLN HA 1 40 PHE H 3.500 . 3.500 2.351 2.142 2.603 . 0 0 "[ . 1]" 1
282 1 39 GLN QB 1 40 PHE H 5.000 . 5.000 2.681 2.007 3.884 . 0 0 "[ . 1]" 1
283 1 39 GLN QG 1 40 PHE H 5.000 . 5.000 3.852 3.025 4.421 . 0 0 "[ . 1]" 1
284 1 40 PHE H 1 40 PHE QD 5.000 . 5.000 3.405 2.146 4.045 . 0 0 "[ . 1]" 1
285 1 40 PHE H 1 41 ALA H 5.000 . 5.000 4.292 3.853 4.371 . 0 0 "[ . 1]" 1
286 1 40 PHE HA 1 41 ALA H 3.500 . 3.500 2.798 2.665 3.408 . 0 0 "[ . 1]" 1
287 1 40 PHE HA 1 41 ALA MB 3.500 . 3.500 3.866 3.627 4.025 0.525 10 3 "[ . - *+]" 1
288 1 40 PHE QB 1 41 ALA H 5.000 . 5.000 1.819 1.658 1.953 0.142 4 0 "[ . 1]" 1
289 1 40 PHE QB 1 41 ALA MB 5.000 . 5.000 3.748 3.389 3.924 . 0 0 "[ . 1]" 1
290 1 40 PHE QD 1 41 ALA H 5.000 . 5.000 2.795 2.249 3.273 . 0 0 "[ . 1]" 1
291 1 40 PHE QD 1 42 VAL QG 5.000 . 5.000 3.130 2.422 3.329 . 0 0 "[ . 1]" 1
292 1 41 ALA H 1 42 VAL H 5.000 . 5.000 4.394 4.042 4.537 . 0 0 "[ . 1]" 1
293 1 41 ALA HA 1 42 VAL H 5.000 . 5.000 2.319 2.163 2.485 . 0 0 "[ . 1]" 1
294 1 41 ALA HA 1 42 VAL QG 5.000 . 5.000 3.383 3.069 3.720 . 0 0 "[ . 1]" 1
295 1 41 ALA MB 1 42 VAL H 5.000 . 5.000 2.728 2.353 3.259 . 0 0 "[ . 1]" 1
296 1 41 ALA MB 1 42 VAL HA 5.000 . 5.000 3.907 3.683 4.149 . 0 0 "[ . 1]" 1
297 1 41 ALA MB 1 43 LYS QE 5.000 . 5.000 3.717 3.668 3.753 . 0 0 "[ . 1]" 1
298 1 42 VAL H 1 42 VAL HB 3.500 . 3.500 3.189 2.503 3.923 0.423 7 0 "[ . 1]" 1
299 1 42 VAL HA 1 43 LYS H 3.500 . 3.500 2.243 2.149 2.427 . 0 0 "[ . 1]" 1
300 1 42 VAL HB 1 43 LYS H 5.000 . 5.000 3.702 2.379 4.255 . 0 0 "[ . 1]" 1
301 1 42 VAL QG 1 43 LYS H 5.000 . 5.000 2.466 2.089 3.124 . 0 0 "[ . 1]" 1
302 1 42 VAL QG 1 44 ARG H 5.000 . 5.000 3.732 3.718 3.744 . 0 0 "[ . 1]" 1
303 1 42 VAL QG 1 44 ARG HE 5.000 . 5.000 3.163 1.907 3.748 . 0 0 "[ . 1]" 1
304 1 42 VAL QG 1 125 GLU HA 3.500 . 3.500 2.815 2.023 3.719 0.219 8 0 "[ . 1]" 1
305 1 42 VAL QG 1 126 LYS H 5.000 . 5.000 3.497 2.289 3.737 . 0 0 "[ . 1]" 1
306 1 42 VAL QG 1 127 GLU HA 5.000 . 5.000 3.224 1.841 3.710 . 0 0 "[ . 1]" 1
307 1 42 VAL QG 1 127 GLU QG 5.000 . 5.000 2.424 1.762 3.154 0.038 4 0 "[ . 1]" 1
308 1 43 LYS H 1 43 LYS QD 5.000 . 5.000 3.629 2.541 4.460 . 0 0 "[ . 1]" 1
309 1 43 LYS H 1 43 LYS QG 5.000 . 5.000 3.160 1.962 4.213 . 0 0 "[ . 1]" 1
310 1 43 LYS H 1 44 ARG H 5.000 . 5.000 4.313 4.214 4.408 . 0 0 "[ . 1]" 1
311 1 43 LYS HA 1 43 LYS QD 5.000 . 5.000 3.206 1.975 4.505 . 0 0 "[ . 1]" 1
312 1 43 LYS HA 1 44 ARG H 5.000 . 5.000 2.133 2.099 2.151 . 0 0 "[ . 1]" 1
313 1 43 LYS QB 1 44 ARG H 5.000 . 5.000 3.418 3.236 3.665 . 0 0 "[ . 1]" 1
314 1 43 LYS QE 1 43 LYS QG 3.500 . 3.500 2.243 1.989 2.591 . 0 0 "[ . 1]" 1
315 1 43 LYS QG 1 44 ARG H 5.000 . 5.000 3.990 3.354 4.533 . 0 0 "[ . 1]" 1
316 1 44 ARG HA 1 45 ARG H 5.000 . 5.000 2.253 2.145 2.372 . 0 0 "[ . 1]" 1
317 1 44 ARG QB 1 45 ARG H 5.000 . 5.000 3.024 2.577 3.511 . 0 0 "[ . 1]" 1
318 1 45 ARG H 1 45 ARG QD 5.000 . 5.000 3.605 1.886 4.469 . 0 0 "[ . 1]" 1
319 1 45 ARG H 1 45 ARG QG 5.000 . 5.000 2.709 1.918 3.973 . 0 0 "[ . 1]" 1
320 1 45 ARG H 1 48 ASP H 5.000 . 5.000 4.054 3.785 4.328 . 0 0 "[ . 1]" 1
321 1 45 ARG H 1 48 ASP QB 5.000 . 5.000 3.059 2.287 3.577 . 0 0 "[ . 1]" 1
322 1 45 ARG QB 1 48 ASP H 5.000 . 5.000 3.378 2.168 4.073 . 0 0 "[ . 1]" 1
323 1 45 ARG QD 1 48 ASP H 5.000 . 5.000 3.502 2.399 4.038 . 0 0 "[ . 1]" 1
324 1 45 ARG QG 1 48 ASP H 5.000 . 5.000 2.640 1.952 4.280 . 0 0 "[ . 1]" 1
325 1 48 ASP H 1 49 PHE H 5.000 . 5.000 2.712 2.511 2.911 . 0 0 "[ . 1]" 1
326 1 48 ASP HA 1 51 GLY H 5.000 . 5.000 3.771 3.417 4.158 . 0 0 "[ . 1]" 1
327 1 49 PHE H 1 49 PHE QD 5.000 . 5.000 3.957 3.484 4.183 . 0 0 "[ . 1]" 1
328 1 49 PHE H 1 50 LEU H 5.000 . 5.000 2.609 2.477 2.712 . 0 0 "[ . 1]" 1
329 1 49 PHE QB 1 50 LEU H 5.000 . 5.000 2.841 2.665 2.924 . 0 0 "[ . 1]" 1
330 1 49 PHE QB 1 101 LEU QD 5.000 . 5.000 2.671 2.235 3.307 . 0 0 "[ . 1]" 1
331 1 49 PHE QD 1 50 LEU H 5.000 . 5.000 4.366 4.081 4.548 . 0 0 "[ . 1]" 1
332 1 49 PHE QD 1 101 LEU QD 5.000 . 5.000 2.453 1.995 2.694 . 0 0 "[ . 1]" 1
333 1 49 PHE QE 1 101 LEU QD 3.500 . 3.500 2.387 1.988 3.124 . 0 0 "[ . 1]" 1
334 1 49 PHE QE 1 105 LEU QD 3.500 . 3.500 2.688 2.028 3.276 . 0 0 "[ . 1]" 1
335 1 50 LEU H 1 50 LEU QD 5.000 . 5.000 3.391 2.588 3.711 . 0 0 "[ . 1]" 1
336 1 50 LEU H 1 50 LEU HG 5.000 . 5.000 4.318 3.848 4.491 . 0 0 "[ . 1]" 1
337 1 50 LEU H 1 51 GLY H 5.000 . 5.000 2.730 2.600 2.773 . 0 0 "[ . 1]" 1
338 1 50 LEU H 1 52 LEU H 5.000 . 5.000 4.561 4.289 4.919 . 0 0 "[ . 1]" 1
339 1 50 LEU HA 1 50 LEU HG 3.500 . 3.500 2.756 2.096 3.634 0.134 1 0 "[ . 1]" 1
340 1 50 LEU HA 1 53 TYR H 5.000 . 5.000 3.366 3.232 3.559 . 0 0 "[ . 1]" 1
341 1 50 LEU QB 1 51 GLY H 5.000 . 5.000 2.800 2.749 2.890 . 0 0 "[ . 1]" 1
342 1 50 LEU QD 1 53 TYR QD 3.500 . 3.500 2.563 1.811 3.089 . 0 0 "[ . 1]" 1
343 1 50 LEU QD 1 53 TYR QE 5.000 . 5.000 3.166 2.062 3.311 . 0 0 "[ . 1]" 1
344 1 51 GLY H 1 52 LEU H 5.000 . 5.000 2.928 2.791 3.083 . 0 0 "[ . 1]" 1
345 1 51 GLY H 1 52 LEU HG 5.000 . 5.000 4.940 4.800 5.034 0.034 3 0 "[ . 1]" 1
346 1 51 GLY QA 1 52 LEU HA 5.000 . 5.000 4.014 3.982 4.033 . 0 0 "[ . 1]" 1
347 1 51 GLY QA 1 52 LEU QD 5.000 . 5.000 3.159 2.651 3.326 . 0 0 "[ . 1]" 1
348 1 51 GLY QA 1 54 GLU H 5.000 . 5.000 3.890 3.723 4.024 . 0 0 "[ . 1]" 1
349 1 52 LEU H 1 52 LEU QD 5.000 . 5.000 2.604 2.051 2.882 . 0 0 "[ . 1]" 1
350 1 52 LEU H 1 53 TYR H 5.000 . 5.000 2.443 2.367 2.486 . 0 0 "[ . 1]" 1
351 1 52 LEU H 1 53 TYR HA 5.000 . 5.000 5.057 5.003 5.088 0.088 6 0 "[ . 1]" 1
352 1 52 LEU H 1 54 GLU H 5.000 . 5.000 3.879 3.625 4.452 . 0 0 "[ . 1]" 1
353 1 52 LEU HA 1 55 LYS QB 3.500 . 3.500 2.456 2.273 2.598 . 0 0 "[ . 1]" 1
354 1 52 LEU HA 1 56 LEU H 5.000 . 5.000 3.464 3.182 3.774 . 0 0 "[ . 1]" 1
355 1 52 LEU QB 1 53 TYR H 5.000 . 5.000 2.227 2.083 2.633 . 0 0 "[ . 1]" 1
356 1 52 LEU QD 1 53 TYR H 5.000 . 5.000 3.829 3.796 3.843 . 0 0 "[ . 1]" 1
357 1 52 LEU QD 1 55 LYS QB 5.000 . 5.000 3.322 3.310 3.333 . 0 0 "[ . 1]" 1
358 1 52 LEU QD 1 56 LEU QD 3.500 . 3.500 2.731 2.551 2.763 . 0 0 "[ . 1]" 1
359 1 52 LEU QD 1 104 TYR QE 5.000 . 5.000 2.987 2.172 3.315 . 0 0 "[ . 1]" 1
360 1 52 LEU QD 1 105 LEU QD 5.000 . 5.000 2.764 2.756 2.776 . 0 0 "[ . 1]" 1
361 1 52 LEU QD 1 108 ILE HB 5.000 . 5.000 3.729 3.694 3.746 . 0 0 "[ . 1]" 1
362 1 52 LEU QD 1 108 ILE MD 3.500 . 3.500 2.248 1.810 2.823 . 0 0 "[ . 1]" 1
363 1 52 LEU QD 1 108 ILE MG 3.500 . 3.500 2.871 2.553 3.096 . 0 0 "[ . 1]" 1
364 1 52 LEU QD 1 119 ASP QB 5.000 . 5.000 3.328 3.316 3.348 . 0 0 "[ . 1]" 1
365 1 52 LEU QD 1 120 VAL H 5.000 . 5.000 3.420 3.321 3.565 . 0 0 "[ . 1]" 1
366 1 52 LEU QD 1 120 VAL HA 5.000 . 5.000 1.860 1.732 2.107 0.068 10 0 "[ . 1]" 1
367 1 52 LEU QD 1 120 VAL HB 5.000 . 5.000 3.152 1.876 3.713 . 0 0 "[ . 1]" 1
368 1 52 LEU QD 1 120 VAL QG 5.000 . 5.000 1.568 1.475 1.701 0.325 3 0 "[ . 1]" 1
369 1 52 LEU QD 1 123 PHE H 5.000 . 5.000 3.564 3.176 3.759 . 0 0 "[ . 1]" 1
370 1 52 LEU QD 1 123 PHE QB 5.000 . 5.000 1.885 1.674 2.074 0.126 10 0 "[ . 1]" 1
371 1 52 LEU QD 1 123 PHE QD 3.500 . 3.500 1.944 1.781 2.080 0.019 4 0 "[ . 1]" 1
372 1 52 LEU QD 1 124 LEU H 5.000 . 5.000 3.399 2.742 3.725 . 0 0 "[ . 1]" 1
373 1 52 LEU HG 1 53 TYR H 5.000 . 5.000 4.062 3.951 4.179 . 0 0 "[ . 1]" 1
374 1 53 TYR H 1 53 TYR QD 5.000 . 5.000 4.074 3.428 4.195 . 0 0 "[ . 1]" 1
375 1 53 TYR H 1 54 GLU H 5.000 . 5.000 2.829 2.764 2.877 . 0 0 "[ . 1]" 1
376 1 53 TYR HA 1 53 TYR QD 3.500 . 3.500 3.015 2.247 3.463 . 0 0 "[ . 1]" 1
377 1 53 TYR QB 1 54 GLU H 5.000 . 5.000 2.671 2.280 3.125 . 0 0 "[ . 1]" 1
378 1 53 TYR QB 1 101 LEU QD 5.000 . 5.000 3.265 3.041 3.320 . 0 0 "[ . 1]" 1
379 1 53 TYR QD 1 54 GLU H 5.000 . 5.000 2.961 2.342 3.595 . 0 0 "[ . 1]" 1
380 1 53 TYR QD 1 54 GLU QG 5.000 . 5.000 3.926 3.657 3.983 . 0 0 "[ . 1]" 1
381 1 54 GLU H 1 54 GLU QG 5.000 . 5.000 3.011 1.955 3.976 . 0 0 "[ . 1]" 1
382 1 54 GLU H 1 55 LYS H 5.000 . 5.000 2.519 2.476 2.590 . 0 0 "[ . 1]" 1
383 1 54 GLU H 1 55 LYS QB 5.000 . 5.000 4.315 4.247 4.466 . 0 0 "[ . 1]" 1
384 1 54 GLU HA 1 55 LYS H 5.000 . 5.000 3.540 3.511 3.562 . 0 0 "[ . 1]" 1
385 1 54 GLU HA 1 57 SER H 5.000 . 5.000 3.673 3.472 3.954 . 0 0 "[ . 1]" 1
386 1 54 GLU QB 1 55 LYS H 5.000 . 5.000 2.948 2.324 3.511 . 0 0 "[ . 1]" 1
387 1 54 GLU QG 1 55 LYS H 5.000 . 5.000 3.002 1.889 4.150 . 0 0 "[ . 1]" 1
388 1 54 GLU QG 1 55 LYS HA 5.000 . 5.000 4.165 3.787 4.460 . 0 0 "[ . 1]" 1
389 1 55 LYS H 1 55 LYS QG 5.000 . 5.000 3.298 2.381 3.994 . 0 0 "[ . 1]" 1
390 1 55 LYS H 1 56 LEU H 5.000 . 5.000 2.707 2.562 2.828 . 0 0 "[ . 1]" 1
391 1 55 LYS HA 1 56 LEU H 5.000 . 5.000 3.545 3.512 3.562 . 0 0 "[ . 1]" 1
392 1 55 LYS QB 1 56 LEU H 5.000 . 5.000 2.531 2.400 2.697 . 0 0 "[ . 1]" 1
393 1 56 LEU H 1 56 LEU QD 5.000 . 5.000 2.238 1.899 3.146 . 0 0 "[ . 1]" 1
394 1 56 LEU H 1 56 LEU HG 5.000 . 5.000 3.607 2.181 4.214 . 0 0 "[ . 1]" 1
395 1 56 LEU HA 1 56 LEU QD 3.500 . 3.500 2.234 1.834 2.715 . 0 0 "[ . 1]" 1
396 1 56 LEU HA 1 57 SER H 5.000 . 5.000 3.526 3.464 3.558 . 0 0 "[ . 1]" 1
397 1 56 LEU HA 1 59 LYS H 5.000 . 5.000 3.756 3.315 4.225 . 0 0 "[ . 1]" 1
398 1 56 LEU QB 1 57 SER H 5.000 . 5.000 2.692 2.532 2.977 . 0 0 "[ . 1]" 1
399 1 56 LEU QD 1 108 ILE MD 3.500 . 3.500 2.561 1.739 3.092 0.061 3 0 "[ . 1]" 1
400 1 56 LEU QD 1 120 VAL QG 3.500 . 3.500 2.520 2.220 2.757 . 0 0 "[ . 1]" 1
401 1 57 SER H 1 58 GLU H 5.000 . 5.000 2.570 2.425 2.725 . 0 0 "[ . 1]" 1
402 1 57 SER QB 1 58 GLU H 5.000 . 5.000 2.770 2.506 3.404 . 0 0 "[ . 1]" 1
403 1 58 GLU H 1 58 GLU QB 3.500 . 3.500 2.230 2.080 2.579 . 0 0 "[ . 1]" 1
404 1 58 GLU H 1 58 GLU QG 5.000 . 5.000 3.639 1.976 4.041 . 0 0 "[ . 1]" 1
405 1 58 GLU HA 1 58 GLU QG 3.500 . 3.500 2.562 2.264 3.334 . 0 0 "[ . 1]" 1
406 1 58 GLU QB 1 59 LYS H 5.000 . 5.000 2.787 2.517 3.284 . 0 0 "[ . 1]" 1
407 1 59 LYS H 1 59 LYS QG 5.000 . 5.000 3.665 2.725 4.074 . 0 0 "[ . 1]" 1
408 1 59 LYS H 1 60 HIS H 5.000 . 5.000 2.640 2.355 2.813 . 0 0 "[ . 1]" 1
409 1 65 PHE QD 1 114 MET ME 5.000 . 5.000 3.589 3.126 3.729 . 0 0 "[ . 1]" 1
410 1 65 PHE QE 1 114 MET ME 5.000 . 5.000 3.054 2.268 3.730 . 0 0 "[ . 1]" 1
411 1 71 PRO HA 1 114 MET ME 3.500 . 3.500 4.133 3.858 4.203 0.703 3 9 "[**+ **-***]" 1
412 1 76 ILE MD 1 100 ALA MB 3.500 . 3.500 2.740 1.781 3.370 0.019 1 0 "[ . 1]" 1
413 1 76 ILE QG 1 100 ALA MB 5.000 . 5.000 3.177 2.106 3.720 . 0 0 "[ . 1]" 1
414 1 91 ALA HA 1 94 LEU H 5.000 . 5.000 3.878 3.466 4.421 . 0 0 "[ . 1]" 1
415 1 91 ALA MB 1 92 GLU QB 5.000 . 5.000 3.683 3.581 3.727 . 0 0 "[ . 1]" 1
416 1 92 GLU HA 1 92 GLU QG 3.500 . 3.500 2.644 2.059 3.366 . 0 0 "[ . 1]" 1
417 1 92 GLU HA 1 95 GLU H 5.000 . 5.000 3.452 3.150 3.715 . 0 0 "[ . 1]" 1
418 1 92 GLU QB 1 93 PHE H 5.000 . 5.000 3.005 2.577 3.605 . 0 0 "[ . 1]" 1
419 1 92 GLU QG 1 93 PHE H 5.000 . 5.000 3.606 2.008 4.456 . 0 0 "[ . 1]" 1
420 1 93 PHE H 1 93 PHE QD 5.000 . 5.000 3.742 2.422 4.181 . 0 0 "[ . 1]" 1
421 1 93 PHE H 1 94 LEU H 5.000 . 5.000 2.756 2.549 2.949 . 0 0 "[ . 1]" 1
422 1 93 PHE HA 1 93 PHE QD 3.500 . 3.500 2.641 2.093 3.146 . 0 0 "[ . 1]" 1
423 1 93 PHE QB 1 94 LEU H 5.000 . 5.000 2.571 2.301 2.790 . 0 0 "[ . 1]" 1
424 1 94 LEU H 1 94 LEU QD 5.000 . 5.000 3.410 2.858 3.713 . 0 0 "[ . 1]" 1
425 1 94 LEU H 1 94 LEU HG 3.500 . 3.500 4.042 2.694 4.585 1.085 4 7 "[ **+** * -]" 1
426 1 94 LEU H 1 95 GLU H 5.000 . 5.000 2.710 2.615 2.805 . 0 0 "[ . 1]" 1
427 1 94 LEU HA 1 94 LEU QD 3.500 . 3.500 2.282 1.877 3.092 . 0 0 "[ . 1]" 1
428 1 94 LEU HA 1 95 GLU H 5.000 . 5.000 3.504 3.484 3.562 . 0 0 "[ . 1]" 1
429 1 94 LEU HA 1 97 ARG H 5.000 . 5.000 3.620 3.144 4.130 . 0 0 "[ . 1]" 1
430 1 95 GLU H 1 95 GLU QG 5.000 . 5.000 3.273 1.948 4.040 . 0 0 "[ . 1]" 1
431 1 95 GLU H 1 96 LYS H 5.000 . 5.000 2.629 2.442 2.753 . 0 0 "[ . 1]" 1
432 1 95 GLU HA 1 98 ARG H 5.000 . 5.000 3.550 3.221 3.852 . 0 0 "[ . 1]" 1
433 1 96 LYS H 1 96 LYS QG 5.000 . 5.000 3.791 3.232 4.009 . 0 0 "[ . 1]" 1
434 1 97 ARG H 1 98 ARG H 5.000 . 5.000 2.630 2.552 2.679 . 0 0 "[ . 1]" 1
435 1 97 ARG HA 1 100 ALA H 5.000 . 5.000 3.768 3.368 4.103 . 0 0 "[ . 1]" 1
436 1 97 ARG HA 1 101 LEU H 5.000 . 5.000 4.302 3.840 4.819 . 0 0 "[ . 1]" 1
437 1 98 ARG H 1 99 ALA H 5.000 . 5.000 2.657 2.568 2.725 . 0 0 "[ . 1]" 1
438 1 98 ARG H 1 99 ALA MB 5.000 . 5.000 4.180 4.141 4.208 . 0 0 "[ . 1]" 1
439 1 98 ARG HA 1 101 LEU H 5.000 . 5.000 3.569 3.336 3.771 . 0 0 "[ . 1]" 1
440 1 99 ALA H 1 100 ALA H 5.000 . 5.000 2.836 2.702 2.974 . 0 0 "[ . 1]" 1
441 1 99 ALA HA 1 102 GLU H 5.000 . 5.000 3.647 3.545 3.820 . 0 0 "[ . 1]" 1
442 1 99 ALA HA 1 102 GLU QB 5.000 . 5.000 3.501 3.276 3.652 . 0 0 "[ . 1]" 1
443 1 99 ALA MB 1 100 ALA H 3.500 . 3.500 2.467 2.408 2.611 . 0 0 "[ . 1]" 1
444 1 100 ALA H 1 100 ALA MB 3.500 . 3.500 2.192 2.113 2.243 . 0 0 "[ . 1]" 1
445 1 100 ALA H 1 101 LEU H 5.000 . 5.000 2.706 2.624 2.788 . 0 0 "[ . 1]" 1
446 1 100 ALA HA 1 103 ARG H 5.000 . 5.000 3.221 3.078 3.424 . 0 0 "[ . 1]" 1
447 1 100 ALA HA 1 104 TYR H 5.000 . 5.000 3.941 3.676 4.190 . 0 0 "[ . 1]" 1
448 1 100 ALA MB 1 101 LEU H 3.500 . 3.500 2.809 2.757 2.864 . 0 0 "[ . 1]" 1
449 1 100 ALA MB 1 103 ARG QG 3.500 . 3.500 3.542 3.049 3.719 0.219 10 0 "[ . 1]" 1
450 1 100 ALA MB 1 104 TYR H 5.000 . 5.000 4.200 4.182 4.222 . 0 0 "[ . 1]" 1
451 1 101 LEU H 1 101 LEU QD 5.000 . 5.000 3.223 2.602 3.698 . 0 0 "[ . 1]" 1
452 1 101 LEU H 1 101 LEU HG 5.000 . 5.000 3.978 2.623 4.497 . 0 0 "[ . 1]" 1
453 1 101 LEU H 1 102 GLU H 5.000 . 5.000 2.712 2.647 2.799 . 0 0 "[ . 1]" 1
454 1 101 LEU HA 1 103 ARG H 5.000 . 5.000 4.578 4.386 4.922 . 0 0 "[ . 1]" 1
455 1 101 LEU HA 1 104 TYR H 5.000 . 5.000 3.732 3.328 3.964 . 0 0 "[ . 1]" 1
456 1 101 LEU HA 1 104 TYR QB 5.000 . 5.000 3.255 2.225 4.015 . 0 0 "[ . 1]" 1
457 1 101 LEU QD 1 104 TYR QD 5.000 . 5.000 2.810 2.252 3.300 . 0 0 "[ . 1]" 1
458 1 102 GLU H 1 103 ARG H 5.000 . 5.000 2.550 2.481 2.702 . 0 0 "[ . 1]" 1
459 1 102 GLU QB 1 103 ARG H 5.000 . 5.000 2.546 2.295 2.683 . 0 0 "[ . 1]" 1
460 1 102 GLU QB 1 103 ARG QG 3.500 . 3.500 3.419 3.018 3.865 0.365 9 0 "[ . 1]" 1
461 1 102 GLU QG 1 105 LEU QD 3.500 . 3.500 3.332 3.319 3.347 . 0 0 "[ . 1]" 1
462 1 102 GLU QG 1 106 GLN QB 3.500 . 3.500 3.959 3.777 3.997 0.497 5 0 "[ . 1]" 1
463 1 103 ARG H 1 103 ARG QB 3.500 . 3.500 2.599 2.507 2.704 . 0 0 "[ . 1]" 1
464 1 103 ARG H 1 103 ARG QG 5.000 . 5.000 1.995 1.859 2.264 . 0 0 "[ . 1]" 1
465 1 103 ARG H 1 104 TYR H 5.000 . 5.000 2.749 2.598 2.819 . 0 0 "[ . 1]" 1
466 1 103 ARG H 1 105 LEU H 5.000 . 5.000 3.939 3.773 4.166 . 0 0 "[ . 1]" 1
467 1 103 ARG HA 1 103 ARG QG 3.500 . 3.500 2.877 2.387 3.335 . 0 0 "[ . 1]" 1
468 1 103 ARG HA 1 105 LEU H 5.000 . 5.000 4.344 4.069 4.767 . 0 0 "[ . 1]" 1
469 1 103 ARG HA 1 106 GLN H 5.000 . 5.000 3.550 3.135 3.998 . 0 0 "[ . 1]" 1
470 1 103 ARG QB 1 104 TYR H 5.000 . 5.000 2.584 2.379 3.275 . 0 0 "[ . 1]" 1
471 1 104 TYR H 1 104 TYR QD 5.000 . 5.000 3.404 2.543 4.159 . 0 0 "[ . 1]" 1
472 1 104 TYR H 1 105 LEU H 5.000 . 5.000 2.548 2.478 2.630 . 0 0 "[ . 1]" 1
473 1 104 TYR HA 1 104 TYR QD 3.500 . 3.500 3.335 3.047 3.648 0.148 8 0 "[ . 1]" 1
474 1 104 TYR HA 1 105 LEU H 5.000 . 5.000 3.513 3.485 3.540 . 0 0 "[ . 1]" 1
475 1 104 TYR QB 1 105 LEU H 5.000 . 5.000 3.145 2.745 3.426 . 0 0 "[ . 1]" 1
476 1 104 TYR QD 1 105 LEU H 5.000 . 5.000 3.127 2.548 3.472 . 0 0 "[ . 1]" 1
477 1 104 TYR QE 1 108 ILE MD 5.000 . 5.000 2.343 1.863 2.785 . 0 0 "[ . 1]" 1
478 1 105 LEU H 1 105 LEU QD 5.000 . 5.000 3.675 3.649 3.711 . 0 0 "[ . 1]" 1
479 1 105 LEU H 1 106 GLN H 5.000 . 5.000 2.571 2.378 2.850 . 0 0 "[ . 1]" 1
480 1 105 LEU HA 1 108 ILE H 5.000 . 5.000 3.439 3.147 3.602 . 0 0 "[ . 1]" 1
481 1 105 LEU HA 1 108 ILE MD 3.500 . 3.500 1.954 1.691 2.545 0.109 10 0 "[ . 1]" 1
482 1 105 LEU QB 1 106 GLN H 5.000 . 5.000 2.596 2.363 2.817 . 0 0 "[ . 1]" 1
483 1 105 LEU QB 1 109 VAL QG 3.500 . 3.500 3.335 3.310 3.368 . 0 0 "[ . 1]" 1
484 1 105 LEU QD 1 106 GLN H 5.000 . 5.000 3.410 3.224 3.710 . 0 0 "[ . 1]" 1
485 1 105 LEU QD 1 106 GLN HA 3.500 . 3.500 3.257 2.849 3.715 0.215 6 0 "[ . 1]" 1
486 1 105 LEU QD 1 108 ILE HB 3.500 . 3.500 3.637 3.344 3.743 0.243 10 0 "[ . 1]" 1
487 1 105 LEU QD 1 108 ILE MD 5.000 . 5.000 2.370 1.839 3.108 . 0 0 "[ . 1]" 1
488 1 105 LEU HG 1 108 ILE MD 5.000 . 5.000 4.027 3.550 4.258 . 0 0 "[ . 1]" 1
489 1 105 LEU HG 1 109 VAL QG 3.500 . 3.500 3.088 1.816 3.724 0.224 2 0 "[ . 1]" 1
490 1 106 GLN H 1 106 GLN QG 5.000 . 5.000 2.713 2.360 2.950 . 0 0 "[ . 1]" 1
491 1 106 GLN H 1 107 ARG H 5.000 . 5.000 2.766 2.710 2.832 . 0 0 "[ . 1]" 1
492 1 106 GLN HA 1 109 VAL H 5.000 . 5.000 3.573 3.369 3.771 . 0 0 "[ . 1]" 1
493 1 106 GLN HA 1 109 VAL QG 3.500 . 3.500 1.761 1.715 1.806 0.085 5 0 "[ . 1]" 1
494 1 106 GLN HA 1 110 ASN H 5.000 . 5.000 3.706 3.606 3.841 . 0 0 "[ . 1]" 1
495 1 106 GLN QB 1 109 VAL QG 3.500 . 3.500 3.317 3.232 3.360 . 0 0 "[ . 1]" 1
496 1 106 GLN QB 1 110 ASN H 5.000 . 5.000 4.507 4.480 4.524 . 0 0 "[ . 1]" 1
497 1 106 GLN QG 1 109 VAL QG 3.500 . 3.500 2.972 2.785 3.307 . 0 0 "[ . 1]" 1
498 1 107 ARG H 1 107 ARG QB 3.500 . 3.500 2.568 2.215 2.786 . 0 0 "[ . 1]" 1
499 1 107 ARG H 1 107 ARG QD 5.000 . 5.000 3.764 3.306 4.055 . 0 0 "[ . 1]" 1
500 1 107 ARG H 1 107 ARG QG 5.000 . 5.000 2.269 1.844 4.066 . 0 0 "[ . 1]" 1
501 1 107 ARG H 1 108 ILE H 5.000 . 5.000 2.694 2.529 2.857 . 0 0 "[ . 1]" 1
502 1 107 ARG H 1 109 VAL H 5.000 . 5.000 4.097 3.851 4.299 . 0 0 "[ . 1]" 1
503 1 107 ARG HA 1 107 ARG QG 3.500 . 3.500 3.024 2.553 3.345 . 0 0 "[ . 1]" 1
504 1 107 ARG HA 1 108 ILE H 5.000 . 5.000 3.558 3.520 3.588 . 0 0 "[ . 1]" 1
505 1 107 ARG HA 1 110 ASN H 5.000 . 5.000 3.526 3.345 3.680 . 0 0 "[ . 1]" 1
506 1 107 ARG HA 1 110 ASN QB 5.000 . 5.000 2.341 2.136 2.552 . 0 0 "[ . 1]" 1
507 1 107 ARG QB 1 107 ARG QD 3.500 . 3.500 2.264 2.014 2.511 . 0 0 "[ . 1]" 1
508 1 107 ARG QB 1 110 ASN QB 5.000 . 5.000 3.974 3.781 4.032 . 0 0 "[ . 1]" 1
509 1 108 ILE H 1 108 ILE MD 3.500 . 3.500 2.703 1.786 3.433 0.014 10 0 "[ . 1]" 1
510 1 108 ILE H 1 108 ILE QG 5.000 . 5.000 2.005 1.598 2.593 0.202 9 0 "[ . 1]" 1
511 1 108 ILE H 1 109 VAL H 5.000 . 5.000 2.620 2.513 2.708 . 0 0 "[ . 1]" 1
512 1 108 ILE HA 1 108 ILE MD 3.500 . 3.500 3.810 3.425 4.078 0.578 1 1 "[+ . 1]" 1
513 1 108 ILE HA 1 108 ILE MG 3.500 . 3.500 2.238 1.964 2.472 . 0 0 "[ . 1]" 1
514 1 108 ILE HA 1 109 VAL H 5.000 . 5.000 3.545 3.492 3.568 . 0 0 "[ . 1]" 1
515 1 108 ILE HB 1 108 ILE MD 3.500 . 3.500 2.640 2.020 3.184 . 0 0 "[ . 1]" 1
516 1 108 ILE HB 1 109 VAL H 5.000 . 5.000 3.121 2.493 3.671 . 0 0 "[ . 1]" 1
517 1 108 ILE HB 1 109 VAL HA 5.000 . 5.000 4.172 3.909 4.362 . 0 0 "[ . 1]" 1
518 1 108 ILE HB 1 115 LEU QD 5.000 . 5.000 2.439 1.705 3.690 0.095 2 0 "[ . 1]" 1
519 1 108 ILE MD 1 108 ILE MG 3.500 . 3.500 2.057 1.709 2.888 0.091 2 0 "[ . 1]" 1
520 1 108 ILE MD 1 114 MET ME 3.500 . 3.500 3.499 3.471 3.541 0.041 10 0 "[ . 1]" 1
521 1 108 ILE MD 1 120 VAL QG 5.000 . 5.000 2.733 2.107 3.116 . 0 0 "[ . 1]" 1
522 1 108 ILE QG 1 115 LEU QD 3.500 . 3.500 3.170 2.777 3.337 . 0 0 "[ . 1]" 1
523 1 108 ILE MG 1 109 VAL H 5.000 . 5.000 3.915 3.349 4.174 . 0 0 "[ . 1]" 1
524 1 108 ILE MG 1 114 MET ME 3.500 . 3.500 2.323 1.736 3.482 0.064 1 0 "[ . 1]" 1
525 1 108 ILE MG 1 120 VAL QG 3.500 . 3.500 1.957 1.639 2.431 0.161 10 0 "[ . 1]" 1
526 1 109 VAL H 1 109 VAL QG 3.500 . 3.500 1.932 1.824 2.021 . 0 0 "[ . 1]" 1
527 1 109 VAL H 1 110 ASN H 5.000 . 5.000 2.519 2.339 2.591 . 0 0 "[ . 1]" 1
528 1 109 VAL QG 1 110 ASN H 5.000 . 5.000 2.097 1.962 2.345 . 0 0 "[ . 1]" 1
529 1 110 ASN H 1 111 HIS H 5.000 . 5.000 3.060 2.767 3.383 . 0 0 "[ . 1]" 1
530 1 111 HIS H 1 114 MET ME 3.500 . 3.500 4.052 3.336 4.226 0.726 4 8 "[* *+*-***1]" 1
531 1 111 HIS H 1 115 LEU QD 5.000 . 5.000 3.752 3.713 3.776 . 0 0 "[ . 1]" 1
532 1 113 THR HA 1 113 THR MG 3.500 . 3.500 2.266 2.067 2.471 . 0 0 "[ . 1]" 1
533 1 113 THR HB 1 114 MET HA 3.500 . 3.500 4.135 3.942 4.282 0.782 9 8 "[** *-* *+*]" 1
534 1 114 MET QB 1 115 LEU QD 5.000 . 5.000 2.856 2.252 3.367 . 0 0 "[ . 1]" 1
535 1 114 MET ME 1 115 LEU H 5.000 . 5.000 4.187 4.076 4.307 . 0 0 "[ . 1]" 1
536 1 115 LEU H 1 115 LEU QD 5.000 . 5.000 1.833 1.638 1.975 0.162 2 0 "[ . 1]" 1
537 1 115 LEU H 1 115 LEU HG 5.000 . 5.000 3.085 1.982 3.901 . 0 0 "[ . 1]" 1
538 1 115 LEU H 1 116 GLN H 5.000 . 5.000 2.786 2.384 3.065 . 0 0 "[ . 1]" 1
539 1 115 LEU HA 1 115 LEU QD 3.500 . 3.500 2.587 1.883 3.285 . 0 0 "[ . 1]" 1
540 1 115 LEU HA 1 115 LEU HG 3.500 . 3.500 3.206 2.463 3.703 0.203 9 0 "[ . 1]" 1
541 1 115 LEU HA 1 116 GLN H 5.000 . 5.000 3.563 3.554 3.573 . 0 0 "[ . 1]" 1
542 1 115 LEU QB 1 116 GLN H 5.000 . 5.000 2.457 2.249 3.147 . 0 0 "[ . 1]" 1
543 1 115 LEU QD 1 116 GLN H 3.500 . 3.500 3.265 2.924 3.640 0.140 3 0 "[ . 1]" 1
544 1 115 LEU HG 1 116 GLN H 5.000 . 5.000 4.171 1.794 5.017 0.017 6 0 "[ . 1]" 1
545 1 116 GLN H 1 116 GLN QG 5.000 . 5.000 3.771 3.079 4.376 . 0 0 "[ . 1]" 1
546 1 116 GLN H 1 117 ASP H 5.000 . 5.000 3.630 2.671 4.092 . 0 0 "[ . 1]" 1
547 1 116 GLN H 1 121 ARG QB 5.000 . 5.000 4.452 4.225 4.497 . 0 0 "[ . 1]" 1
548 1 116 GLN HA 1 116 GLN QG 3.500 . 3.500 2.462 2.048 3.315 . 0 0 "[ . 1]" 1
549 1 116 GLN QB 1 117 ASP H 5.000 . 5.000 2.455 1.909 4.041 . 0 0 "[ . 1]" 1
550 1 117 ASP H 1 120 VAL QG 5.000 . 5.000 3.257 2.694 3.720 . 0 0 "[ . 1]" 1
551 1 117 ASP QB 1 120 VAL QG 3.500 . 3.500 1.831 1.703 2.029 0.097 8 0 "[ . 1]" 1
552 1 118 PRO HA 1 121 ARG H 5.000 . 5.000 3.745 3.437 4.007 . 0 0 "[ . 1]" 1
553 1 118 PRO QB 1 119 ASP H 5.000 . 5.000 2.879 2.517 3.074 . 0 0 "[ . 1]" 1
554 1 118 PRO QG 1 119 ASP H 5.000 . 5.000 3.949 3.800 4.016 . 0 0 "[ . 1]" 1
555 1 119 ASP H 1 120 VAL H 5.000 . 5.000 2.588 2.509 2.717 . 0 0 "[ . 1]" 1
556 1 119 ASP H 1 120 VAL QG 5.000 . 5.000 3.708 3.568 3.753 . 0 0 "[ . 1]" 1
557 1 119 ASP H 1 121 ARG H 5.000 . 5.000 3.866 3.735 4.017 . 0 0 "[ . 1]" 1
558 1 119 ASP HA 1 122 GLU H 5.000 . 5.000 3.456 3.364 3.570 . 0 0 "[ . 1]" 1
559 1 119 ASP QB 1 120 VAL H 5.000 . 5.000 2.375 2.267 2.471 . 0 0 "[ . 1]" 1
560 1 119 ASP QB 1 120 VAL QG 5.000 . 5.000 2.989 2.739 3.341 . 0 0 "[ . 1]" 1
561 1 119 ASP QB 1 122 GLU H 5.000 . 5.000 4.569 4.541 4.599 . 0 0 "[ . 1]" 1
562 1 120 VAL H 1 121 ARG H 5.000 . 5.000 2.626 2.448 2.710 . 0 0 "[ . 1]" 1
563 1 120 VAL HA 1 123 PHE H 5.000 . 5.000 2.911 2.770 3.056 . 0 0 "[ . 1]" 1
564 1 120 VAL HB 1 121 ARG H 5.000 . 5.000 2.878 2.422 4.008 . 0 0 "[ . 1]" 1
565 1 120 VAL QG 1 121 ARG H 5.000 . 5.000 2.985 1.888 3.343 . 0 0 "[ . 1]" 1
566 1 120 VAL QG 1 123 PHE H 3.500 . 3.500 3.765 3.747 3.781 0.281 7 0 "[ . 1]" 1
567 1 120 VAL QG 1 123 PHE QD 3.500 . 3.500 3.229 2.866 3.366 . 0 0 "[ . 1]" 1
568 1 121 ARG H 1 121 ARG QD 5.000 . 5.000 4.237 4.050 4.421 . 0 0 "[ . 1]" 1
569 1 121 ARG H 1 121 ARG QG 5.000 . 5.000 3.866 2.679 4.022 . 0 0 "[ . 1]" 1
570 1 121 ARG H 1 122 GLU H 5.000 . 5.000 2.635 2.547 2.701 . 0 0 "[ . 1]" 1
571 1 121 ARG H 1 123 PHE H 5.000 . 5.000 3.874 3.756 3.990 . 0 0 "[ . 1]" 1
572 1 121 ARG HA 1 121 ARG QD 5.000 . 5.000 2.915 1.972 4.158 . 0 0 "[ . 1]" 1
573 1 121 ARG HA 1 122 GLU H 5.000 . 5.000 3.495 3.484 3.501 . 0 0 "[ . 1]" 1
574 1 121 ARG HA 1 124 LEU H 5.000 . 5.000 4.852 4.380 5.024 0.024 10 0 "[ . 1]" 1
575 1 121 ARG HA 1 124 LEU QD 5.000 . 5.000 3.124 2.520 3.713 . 0 0 "[ . 1]" 1
576 1 121 ARG QB 1 122 GLU H 5.000 . 5.000 2.918 2.804 3.592 . 0 0 "[ . 1]" 1
577 1 121 ARG QB 1 122 GLU QG 3.500 . 3.500 3.081 2.609 3.975 0.475 10 0 "[ . 1]" 1
578 1 121 ARG QG 1 122 GLU H 5.000 . 5.000 3.719 2.118 4.295 . 0 0 "[ . 1]" 1
579 1 121 ARG QG 1 122 GLU QG 5.000 . 5.000 2.987 1.907 3.700 . 0 0 "[ . 1]" 1
580 1 122 GLU H 1 122 GLU QG 5.000 . 5.000 2.683 2.002 3.424 . 0 0 "[ . 1]" 1
581 1 122 GLU H 1 123 PHE H 5.000 . 5.000 2.262 2.088 2.388 . 0 0 "[ . 1]" 1
582 1 122 GLU HA 1 122 GLU QG 3.500 . 3.500 2.632 2.255 3.273 . 0 0 "[ . 1]" 1
583 1 122 GLU HA 1 125 GLU H 5.000 . 5.000 3.551 3.265 4.030 . 0 0 "[ . 1]" 1
584 1 122 GLU HA 1 126 LYS H 5.000 . 5.000 4.833 4.095 5.034 0.034 9 0 "[ . 1]" 1
585 1 122 GLU QB 1 123 PHE H 5.000 . 5.000 3.587 3.136 3.909 . 0 0 "[ . 1]" 1
586 1 123 PHE H 1 123 PHE QD 5.000 . 5.000 3.817 3.067 4.155 . 0 0 "[ . 1]" 1
587 1 123 PHE H 1 124 LEU H 5.000 . 5.000 2.458 2.338 2.721 . 0 0 "[ . 1]" 1
588 1 123 PHE H 1 124 LEU HG 5.000 . 5.000 4.332 3.456 4.996 . 0 0 "[ . 1]" 1
589 1 123 PHE HA 1 123 PHE QD 3.500 . 3.500 2.509 1.890 3.002 . 0 0 "[ . 1]" 1
590 1 123 PHE QB 1 124 LEU H 5.000 . 5.000 2.664 2.475 2.948 . 0 0 "[ . 1]" 1
591 1 123 PHE QD 1 124 LEU H 5.000 . 5.000 4.173 2.721 4.521 . 0 0 "[ . 1]" 1
592 1 124 LEU H 1 124 LEU QD 5.000 . 5.000 2.397 1.881 2.978 . 0 0 "[ . 1]" 1
593 1 124 LEU H 1 124 LEU HG 5.000 . 5.000 2.589 1.930 3.318 . 0 0 "[ . 1]" 1
594 1 124 LEU H 1 125 GLU H 5.000 . 5.000 2.684 2.471 2.803 . 0 0 "[ . 1]" 1
595 1 124 LEU H 1 126 LYS H 5.000 . 5.000 4.326 3.935 5.008 0.008 6 0 "[ . 1]" 1
596 1 124 LEU QB 1 125 GLU H 5.000 . 5.000 3.537 2.966 3.743 . 0 0 "[ . 1]" 1
597 1 124 LEU QD 1 125 GLU H 5.000 . 5.000 2.972 1.854 3.710 . 0 0 "[ . 1]" 1
598 1 125 GLU H 1 125 GLU QB 3.500 . 3.500 2.701 2.401 3.103 . 0 0 "[ . 1]" 1
599 1 125 GLU H 1 125 GLU QG 5.000 . 5.000 3.342 1.993 4.306 . 0 0 "[ . 1]" 1
600 1 125 GLU H 1 126 LYS H 5.000 . 5.000 2.471 2.104 2.776 . 0 0 "[ . 1]" 1
601 1 125 GLU HA 1 126 LYS H 5.000 . 5.000 3.059 2.515 3.555 . 0 0 "[ . 1]" 1
602 1 125 GLU QB 1 126 LYS H 5.000 . 5.000 3.682 2.140 4.043 . 0 0 "[ . 1]" 1
603 1 125 GLU QG 1 126 LYS H 5.000 . 5.000 3.860 2.652 4.458 . 0 0 "[ . 1]" 1
604 1 126 LYS H 1 126 LYS QB 3.500 . 3.500 2.233 2.150 2.316 . 0 0 "[ . 1]" 1
605 1 126 LYS H 1 126 LYS QG 5.000 . 5.000 3.918 3.741 4.016 . 0 0 "[ . 1]" 1
606 1 126 LYS HA 1 127 GLU H 5.000 . 5.000 2.254 2.138 2.400 . 0 0 "[ . 1]" 1
607 1 126 LYS HA 1 127 GLU QG 5.000 . 5.000 4.060 3.550 4.456 . 0 0 "[ . 1]" 1
608 1 126 LYS QB 1 127 GLU H 5.000 . 5.000 3.493 2.993 3.951 . 0 0 "[ . 1]" 1
609 1 126 LYS QG 1 127 GLU H 5.000 . 5.000 2.548 1.962 3.336 . 0 0 "[ . 1]" 1
610 1 126 LYS QG 1 128 GLU H 5.000 . 5.000 3.504 1.980 4.458 . 0 0 "[ . 1]" 1
611 1 127 GLU H 1 127 GLU QG 5.000 . 5.000 3.142 2.280 3.856 . 0 0 "[ . 1]" 1
612 1 127 GLU H 1 128 GLU H 5.000 . 5.000 3.021 2.177 4.210 . 0 0 "[ . 1]" 1
613 1 127 GLU H 1 128 GLU HA 3.500 . 3.500 4.695 4.143 4.945 1.445 6 10 [**-**+****] 1
614 1 127 GLU HA 1 128 GLU H 3.500 . 3.500 2.973 2.137 3.566 0.066 6 0 "[ . 1]" 1
615 1 127 GLU QB 1 128 GLU H 5.000 . 5.000 2.945 1.930 3.914 . 0 0 "[ . 1]" 1
616 1 127 GLU QG 1 128 GLU H 5.000 . 5.000 4.203 3.814 4.466 . 0 0 "[ . 1]" 1
617 1 128 GLU H 1 128 GLU QG 5.000 . 5.000 3.515 2.201 4.437 . 0 0 "[ . 1]" 1
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