NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
646525 |
6mie   |
30517 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6mie
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 401
_Distance_constraint_stats_list.Viol_count 196
_Distance_constraint_stats_list.Viol_total 459.334
_Distance_constraint_stats_list.Viol_max 0.997
_Distance_constraint_stats_list.Viol_rms 0.0605
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0115
_Distance_constraint_stats_list.Viol_average_violations_only 0.2344
_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 31 LYS 6.545 0.553 5 1 "[ + 1]"
1 32 CYS 0.000 0.000 . 0 "[ . 1]"
1 34 VAL 0.000 0.000 . 0 "[ . 1]"
1 35 TYR 0.000 0.000 . 0 "[ . 1]"
1 36 HIS 0.000 0.000 . 0 "[ . 1]"
1 37 PHE 0.000 0.000 . 0 "[ . 1]"
1 38 ALA 3.735 0.502 3 1 "[ + . 1]"
1 39 VAL 0.089 0.089 5 0 "[ . 1]"
1 40 PHE 0.000 0.000 . 0 "[ . 1]"
1 41 LEU 0.000 0.000 . 0 "[ . 1]"
1 42 ILE 1.278 0.464 5 0 "[ . 1]"
1 44 LEU 3.358 0.553 5 1 "[ + 1]"
1 45 VAL 1.090 0.261 8 0 "[ . 1]"
1 47 LEU 0.000 0.000 . 0 "[ . 1]"
1 48 ILE 0.266 0.147 6 0 "[ . 1]"
1 49 PHE 0.000 0.000 . 0 "[ . 1]"
1 50 SER 0.000 0.000 . 0 "[ . 1]"
1 51 VAL 0.000 0.000 . 0 "[ . 1]"
1 52 LEU 0.937 0.289 5 0 "[ . 1]"
1 53 SER 0.000 0.000 . 0 "[ . 1]"
1 54 THR 4.125 0.997 9 2 "[ . +-]"
1 55 ILE 0.039 0.039 1 0 "[ . 1]"
1 56 GLU 0.000 0.000 . 0 "[ . 1]"
1 57 GLN 1.545 0.384 4 0 "[ . 1]"
1 58 TYR 1.421 0.357 2 0 "[ . 1]"
1 59 ALA 0.000 0.000 . 0 "[ . 1]"
1 60 ALA 0.000 0.000 . 0 "[ . 1]"
1 62 ALA 0.000 0.000 . 0 "[ . 1]"
1 63 THR 0.000 0.000 . 0 "[ . 1]"
1 64 GLY 0.000 0.000 . 0 "[ . 1]"
1 65 THR 7.372 0.635 3 3 "[- + . * 1]"
1 66 LEU 0.000 0.000 . 0 "[ . 1]"
1 68 TRP 0.000 0.000 . 0 "[ . 1]"
1 72 VAL 0.000 0.000 . 0 "[ . 1]"
1 73 LEU 0.000 0.000 . 0 "[ . 1]"
1 75 VAL 1.952 0.345 4 0 "[ . 1]"
1 78 GLY 0.000 0.000 . 0 "[ . 1]"
1 79 THR 3.745 0.569 5 1 "[ + 1]"
1 80 GLU 0.000 0.000 . 0 "[ . 1]"
1 81 TYR 0.000 0.000 . 0 "[ . 1]"
1 82 VAL 0.000 0.000 . 0 "[ . 1]"
1 84 ARG 0.000 0.000 . 0 "[ . 1]"
1 85 LEU 0.024 0.024 7 0 "[ . 1]"
1 86 TRP 0.000 0.000 . 0 "[ . 1]"
1 87 SER 4.240 0.494 8 0 "[ . 1]"
1 88 ALA 0.000 0.000 . 0 "[ . 1]"
1 89 GLY 0.000 0.000 . 0 "[ . 1]"
1 90 CYS 5.108 0.569 5 1 "[ + 1]"
1 91 ARG 0.000 0.000 . 0 "[ . 1]"
1 92 SER 0.000 0.000 . 0 "[ . 1]"
1 93 LYS 0.000 0.000 . 0 "[ . 1]"
1 94 TYR 0.000 0.000 . 0 "[ . 1]"
1 95 VAL 0.000 0.000 . 0 "[ . 1]"
1 96 GLY 0.000 0.000 . 0 "[ . 1]"
1 97 LEU 0.000 0.000 . 0 "[ . 1]"
1 98 TRP 0.000 0.000 . 0 "[ . 1]"
1 99 GLY 0.000 0.000 . 0 "[ . 1]"
1 100 ARG 0.000 0.000 . 0 "[ . 1]"
1 101 LEU 0.000 0.000 . 0 "[ . 1]"
1 102 ARG 0.340 0.172 3 0 "[ . 1]"
1 104 ALA 0.015 0.015 5 0 "[ . 1]"
1 105 ARG 0.066 0.066 4 0 "[ . 1]"
1 106 LYS 0.000 0.000 . 0 "[ . 1]"
1 109 SER 0.000 0.000 . 0 "[ . 1]"
1 110 ILE 0.000 0.000 . 0 "[ . 1]"
1 111 ILE 0.000 0.000 . 0 "[ . 1]"
1 112 ASP 2.381 0.371 3 0 "[ . 1]"
1 113 LEU 0.000 0.000 . 0 "[ . 1]"
1 115 VAL 0.000 0.000 . 0 "[ . 1]"
1 116 VAL 1.081 0.239 8 0 "[ . 1]"
1 117 VAL 3.514 0.494 8 0 "[ . 1]"
1 118 ALA 0.000 0.000 . 0 "[ . 1]"
1 119 SER 0.185 0.127 3 0 "[ . 1]"
1 120 MET 0.000 0.000 . 0 "[ . 1]"
1 123 LEU 0.000 0.000 . 0 "[ . 1]"
1 124 CYS 12.448 0.997 9 2 "[ . +-]"
1 125 VAL 1.670 0.421 2 0 "[ . 1]"
1 126 GLY 0.021 0.011 7 0 "[ . 1]"
1 127 SER 3.752 0.635 3 3 "[- + . * 1]"
1 128 LYS 0.000 0.000 . 0 "[ . 1]"
1 129 GLY 0.000 0.000 . 0 "[ . 1]"
1 130 GLN 0.000 0.000 . 0 "[ . 1]"
1 131 VAL 0.000 0.000 . 0 "[ . 1]"
1 132 PHE 0.000 0.000 . 0 "[ . 1]"
1 134 THR 4.401 0.384 4 0 "[ . 1]"
1 135 SER 0.000 0.000 . 0 "[ . 1]"
1 136 ALA 0.000 0.000 . 0 "[ . 1]"
1 137 ILE 0.000 0.000 . 0 "[ . 1]"
1 138 ARG 0.000 0.000 . 0 "[ . 1]"
1 139 GLY 1.950 0.335 5 0 "[ . 1]"
1 140 ILE 0.000 0.000 . 0 "[ . 1]"
1 141 ARG 0.000 0.000 . 0 "[ . 1]"
1 142 PHE 5.501 0.452 3 0 "[ . 1]"
1 143 LEU 0.000 0.000 . 0 "[ . 1]"
1 144 GLN 0.000 0.000 . 0 "[ . 1]"
1 146 LEU 0.000 0.000 . 0 "[ . 1]"
1 147 ARG 0.390 0.166 3 0 "[ . 1]"
1 148 MET 7.281 0.502 3 1 "[ + . 1]"
1 149 LEU 0.000 0.000 . 0 "[ . 1]"
1 150 HIS 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 31 LYS CB 1 34 VAL H 12.000 . 18.000 5.570 5.352 5.756 . 0 0 "[ . 1]" 1
2 1 31 LYS CB 1 38 ALA H 12.000 . 18.000 9.876 9.643 10.270 . 0 0 "[ . 1]" 1
3 1 31 LYS CB 1 39 VAL H 12.000 . 18.000 10.558 10.219 10.926 . 0 0 "[ . 1]" 1
4 1 31 LYS CB 1 41 LEU H 17.090 11.090 23.090 14.383 14.103 14.797 . 0 0 "[ . 1]" 1
5 1 31 LYS CB 1 44 LEU H 25.000 19.000 125.000 18.664 18.447 18.787 0.553 5 1 "[ + 1]" 1
6 1 31 LYS CB 1 45 VAL H 25.000 19.000 125.000 19.935 19.593 20.234 . 0 0 "[ . 1]" 1
7 1 31 LYS CB 1 47 LEU H 25.000 19.000 125.000 22.500 22.136 22.838 . 0 0 "[ . 1]" 1
8 1 31 LYS CB 1 49 PHE H 25.000 19.000 125.000 25.304 25.025 25.580 . 0 0 "[ . 1]" 1
9 1 31 LYS CB 1 50 SER H 25.000 19.000 125.000 26.354 25.935 26.592 . 0 0 "[ . 1]" 1
10 1 31 LYS CB 1 51 VAL H 25.000 19.000 125.000 28.826 28.359 29.206 . 0 0 "[ . 1]" 1
11 1 31 LYS CB 1 55 ILE H 25.000 19.000 125.000 34.476 34.073 35.032 . 0 0 "[ . 1]" 1
12 1 31 LYS CB 1 56 GLU H 25.000 19.000 125.000 34.741 34.248 35.447 . 0 0 "[ . 1]" 1
13 1 31 LYS CB 1 57 GLN H 25.000 19.000 125.000 34.923 34.264 35.878 . 0 0 "[ . 1]" 1
14 1 31 LYS CB 1 59 ALA H 25.000 19.000 125.000 38.618 38.112 39.061 . 0 0 "[ . 1]" 1
15 1 31 LYS CB 1 60 ALA H 25.000 19.000 125.000 38.052 37.469 38.970 . 0 0 "[ . 1]" 1
16 1 31 LYS CB 1 62 ALA H 25.000 19.000 125.000 42.102 41.450 43.547 . 0 0 "[ . 1]" 1
17 1 31 LYS CB 1 63 THR H 25.000 19.000 125.000 41.922 41.352 43.063 . 0 0 "[ . 1]" 1
18 1 31 LYS CB 1 64 GLY H 25.000 19.000 125.000 41.602 40.593 42.502 . 0 0 "[ . 1]" 1
19 1 31 LYS CB 1 72 VAL H 25.000 19.000 125.000 26.163 25.800 26.433 . 0 0 "[ . 1]" 1
20 1 31 LYS CB 1 73 LEU H 25.000 19.000 125.000 23.739 23.453 24.014 . 0 0 "[ . 1]" 1
21 1 31 LYS CB 1 78 GLY H 25.000 19.000 125.000 20.220 19.612 21.574 . 0 0 "[ . 1]" 1
22 1 31 LYS CB 1 80 GLU H 19.420 13.420 25.420 16.440 16.027 17.660 . 0 0 "[ . 1]" 1
23 1 31 LYS CB 1 81 TYR H 12.000 . 18.000 16.529 15.883 17.946 . 0 0 "[ . 1]" 1
24 1 31 LYS CB 1 87 SER H 18.710 12.710 24.710 13.127 12.496 13.859 0.214 10 0 "[ . 1]" 1
25 1 31 LYS CB 1 91 ARG H 18.410 12.410 24.410 17.391 15.794 18.475 . 0 0 "[ . 1]" 1
26 1 31 LYS CB 1 93 LYS H 20.070 14.070 26.070 20.684 19.660 21.967 . 0 0 "[ . 1]" 1
27 1 31 LYS CB 1 96 GLY H 19.070 13.070 25.070 20.483 19.605 21.227 . 0 0 "[ . 1]" 1
28 1 31 LYS CB 1 97 LEU H 17.330 11.330 23.330 19.914 19.151 20.829 . 0 0 "[ . 1]" 1
29 1 31 LYS CB 1 100 ARG H 19.610 13.610 25.610 19.389 18.683 20.010 . 0 0 "[ . 1]" 1
30 1 31 LYS CB 1 101 LEU H 18.680 12.680 24.680 20.174 19.682 20.619 . 0 0 "[ . 1]" 1
31 1 31 LYS CB 1 102 ARG H 16.210 10.210 22.210 21.950 21.105 22.382 0.172 3 0 "[ . 1]" 1
32 1 31 LYS CB 1 104 ALA H 16.210 10.210 22.210 20.959 19.811 22.225 0.015 5 0 "[ . 1]" 1
33 1 31 LYS CB 1 105 ARG H 16.320 10.320 22.320 21.460 20.247 22.386 0.066 4 0 "[ . 1]" 1
34 1 31 LYS CB 1 110 ILE H 25.000 19.000 125.000 22.314 21.565 23.245 . 0 0 "[ . 1]" 1
35 1 31 LYS CB 1 111 ILE H 25.000 19.000 125.000 23.225 22.548 24.114 . 0 0 "[ . 1]" 1
36 1 31 LYS CB 1 113 LEU H 25.000 19.000 125.000 21.768 21.131 22.929 . 0 0 "[ . 1]" 1
37 1 31 LYS CB 1 115 VAL H 25.000 19.000 125.000 24.087 23.536 25.066 . 0 0 "[ . 1]" 1
38 1 31 LYS CB 1 116 VAL H 25.000 19.000 125.000 22.839 22.250 23.963 . 0 0 "[ . 1]" 1
39 1 31 LYS CB 1 117 VAL H 25.000 19.000 125.000 25.027 24.321 26.207 . 0 0 "[ . 1]" 1
40 1 31 LYS CB 1 118 ALA H 25.000 19.000 125.000 26.985 26.402 28.011 . 0 0 "[ . 1]" 1
41 1 31 LYS CB 1 119 SER H 25.000 19.000 125.000 26.008 25.558 27.030 . 0 0 "[ . 1]" 1
42 1 31 LYS CB 1 120 MET H 25.000 19.000 125.000 26.309 25.777 27.295 . 0 0 "[ . 1]" 1
43 1 31 LYS CB 1 123 LEU H 25.000 19.000 125.000 29.749 29.258 30.674 . 0 0 "[ . 1]" 1
44 1 31 LYS CB 1 127 SER H 25.000 19.000 125.000 35.941 33.637 37.560 . 0 0 "[ . 1]" 1
45 1 31 LYS CB 1 128 LYS H 25.000 19.000 125.000 36.623 35.198 37.685 . 0 0 "[ . 1]" 1
46 1 31 LYS CB 1 137 ILE H 25.000 19.000 125.000 29.213 28.771 30.052 . 0 0 "[ . 1]" 1
47 1 31 LYS CB 1 138 ARG H 25.000 19.000 125.000 29.430 29.120 29.823 . 0 0 "[ . 1]" 1
48 1 31 LYS CB 1 140 ILE H 20.950 14.950 26.950 25.764 25.552 26.206 . 0 0 "[ . 1]" 1
49 1 31 LYS CB 1 142 PHE H 18.560 12.560 24.560 24.803 24.637 25.012 0.452 3 0 "[ . 1]" 1
50 1 31 LYS CB 1 144 GLN H 20.560 14.560 26.560 20.884 20.511 21.192 . 0 0 "[ . 1]" 1
51 1 31 LYS CB 1 143 LEU H 21.210 15.210 27.210 22.883 22.415 23.354 . 0 0 "[ . 1]" 1
52 1 31 LYS CB 1 147 ARG H 18.710 12.710 24.710 17.977 17.268 18.966 . 0 0 "[ . 1]" 1
53 1 31 LYS H 1 54 THR CB 25.000 19.000 125.000 34.983 34.440 35.969 . 0 0 "[ . 1]" 1
54 1 32 CYS H 1 54 THR CB 25.000 19.000 125.000 33.472 32.389 34.578 . 0 0 "[ . 1]" 1
55 1 34 VAL H 1 54 THR CB 25.000 19.000 125.000 31.389 30.702 32.201 . 0 0 "[ . 1]" 1
56 1 35 TYR H 1 54 THR CB 25.000 19.000 125.000 29.380 28.749 30.179 . 0 0 "[ . 1]" 1
57 1 36 HIS H 1 54 THR CB 25.000 19.000 125.000 28.003 27.219 28.928 . 0 0 "[ . 1]" 1
58 1 37 PHE H 1 54 THR CB 25.000 19.000 125.000 27.017 26.338 27.914 . 0 0 "[ . 1]" 1
59 1 38 ALA H 1 54 THR CB 25.000 19.000 125.000 25.383 24.827 26.255 . 0 0 "[ . 1]" 1
60 1 39 VAL H 1 54 THR CB 25.000 19.000 125.000 23.378 22.755 24.245 . 0 0 "[ . 1]" 1
61 1 40 PHE H 1 54 THR CB 25.000 19.000 125.000 22.329 21.874 23.260 . 0 0 "[ . 1]" 1
62 1 41 LEU H 1 54 THR CB 21.040 15.040 27.040 21.352 20.890 22.242 . 0 0 "[ . 1]" 1
63 1 53 SER H 1 54 THR CB 12.000 . 18.000 5.413 5.180 5.603 . 0 0 "[ . 1]" 1
64 1 54 THR CB 1 56 GLU H 12.000 . 18.000 5.304 4.872 5.650 . 0 0 "[ . 1]" 1
65 1 54 THR CB 1 57 GLN H 12.000 . 18.000 5.071 4.582 5.510 . 0 0 "[ . 1]" 1
66 1 54 THR CB 1 58 TYR H 12.000 . 18.000 6.162 4.854 7.077 . 0 0 "[ . 1]" 1
67 1 54 THR CB 1 60 ALA H 12.000 . 18.000 9.369 8.501 10.086 . 0 0 "[ . 1]" 1
68 1 54 THR CB 1 62 ALA H 12.000 . 18.000 13.269 12.348 14.075 . 0 0 "[ . 1]" 1
69 1 54 THR CB 1 63 THR H 12.000 . 18.000 13.979 12.975 14.832 . 0 0 "[ . 1]" 1
70 1 54 THR CB 1 73 LEU H 12.000 . 18.000 13.982 13.410 14.653 . 0 0 "[ . 1]" 1
71 1 54 THR CB 1 88 ALA H 25.000 19.000 125.000 33.466 32.786 34.087 . 0 0 "[ . 1]" 1
72 1 54 THR CB 1 80 GLU H 21.290 15.290 27.290 21.770 21.065 22.697 . 0 0 "[ . 1]" 1
73 1 54 THR CB 1 86 TRP H 25.000 19.000 125.000 30.519 29.826 31.419 . 0 0 "[ . 1]" 1
74 1 54 THR CB 1 89 GLY H 25.000 19.000 125.000 35.703 34.694 36.515 . 0 0 "[ . 1]" 1
75 1 54 THR CB 1 90 CYS H 25.000 19.000 125.000 37.425 36.461 38.496 . 0 0 "[ . 1]" 1
76 1 54 THR CB 1 91 ARG H 25.000 19.000 125.000 40.011 39.302 40.768 . 0 0 "[ . 1]" 1
77 1 54 THR CB 1 92 SER H 25.000 19.000 125.000 40.207 38.802 41.363 . 0 0 "[ . 1]" 1
78 1 54 THR CB 1 93 LYS H 25.000 19.000 125.000 39.345 37.759 41.370 . 0 0 "[ . 1]" 1
79 1 54 THR CB 1 94 TYR H 25.000 19.000 125.000 38.778 37.631 40.247 . 0 0 "[ . 1]" 1
80 1 54 THR CB 1 117 VAL H 17.240 11.240 23.240 21.120 19.796 22.231 . 0 0 "[ . 1]" 1
81 1 54 THR CB 1 118 ALA H 17.040 11.040 23.040 19.523 18.248 20.758 . 0 0 "[ . 1]" 1
82 1 54 THR CB 1 119 SER H 16.260 10.260 22.260 17.487 16.151 18.634 . 0 0 "[ . 1]" 1
83 1 54 THR CB 1 124 CYS H 12.000 . 18.000 18.410 18.028 18.997 0.997 9 2 "[ . +-]" 1
84 1 54 THR CB 1 126 GLY H 12.000 . 18.000 17.491 16.821 18.011 0.011 7 0 "[ . 1]" 1
85 1 54 THR CB 1 127 SER H 12.000 . 18.000 15.986 15.519 16.922 . 0 0 "[ . 1]" 1
86 1 54 THR CB 1 129 GLY H 12.000 . 18.000 14.092 11.394 15.274 . 0 0 "[ . 1]" 1
87 1 54 THR CB 1 130 GLN H 12.000 . 18.000 12.181 8.774 13.309 . 0 0 "[ . 1]" 1
88 1 54 THR CB 1 131 VAL H 12.000 . 18.000 12.397 11.170 13.439 . 0 0 "[ . 1]" 1
89 1 54 THR CB 1 134 THR H 12.000 . 18.000 8.744 7.794 9.637 . 0 0 "[ . 1]" 1
90 1 54 THR CB 1 135 SER H 12.000 . 18.000 10.784 9.725 11.810 . 0 0 "[ . 1]" 1
91 1 54 THR CB 1 136 ALA H 12.000 . 18.000 10.670 9.314 12.321 . 0 0 "[ . 1]" 1
92 1 54 THR CB 1 137 ILE H 12.000 . 18.000 8.061 6.878 9.616 . 0 0 "[ . 1]" 1
93 1 54 THR CB 1 138 ARG H 12.000 . 18.000 8.380 7.760 9.382 . 0 0 "[ . 1]" 1
94 1 54 THR CB 1 139 GLY H 12.000 . 18.000 10.941 10.056 12.021 . 0 0 "[ . 1]" 1
95 1 54 THR CB 1 140 ILE H 12.000 . 18.000 11.918 10.931 13.302 . 0 0 "[ . 1]" 1
96 1 54 THR CB 1 142 PHE H 12.000 . 18.000 11.823 10.885 12.966 . 0 0 "[ . 1]" 1
97 1 54 THR CB 1 144 GLN H 12.000 . 18.000 14.666 13.943 15.942 . 0 0 "[ . 1]" 1
98 1 54 THR CB 1 147 ARG H 16.150 10.150 22.150 19.042 18.236 20.243 . 0 0 "[ . 1]" 1
99 1 54 THR CB 1 148 MET H 16.510 10.510 22.510 19.893 19.149 21.016 . 0 0 "[ . 1]" 1
100 1 54 THR CB 1 150 HIS H 25.000 19.000 125.000 23.520 22.615 24.680 . 0 0 "[ . 1]" 1
101 1 31 LYS H 1 65 THR CB 25.000 19.000 125.000 37.837 37.575 38.481 . 0 0 "[ . 1]" 1
102 1 32 CYS H 1 65 THR CB 25.000 19.000 125.000 37.063 36.573 37.779 . 0 0 "[ . 1]" 1
103 1 34 VAL H 1 65 THR CB 25.000 19.000 125.000 34.192 33.863 34.812 . 0 0 "[ . 1]" 1
104 1 35 TYR H 1 65 THR CB 25.000 19.000 125.000 32.403 32.105 33.101 . 0 0 "[ . 1]" 1
105 1 36 HIS H 1 65 THR CB 25.000 19.000 125.000 31.898 31.450 32.571 . 0 0 "[ . 1]" 1
106 1 37 PHE H 1 65 THR CB 25.000 19.000 125.000 30.814 30.367 31.535 . 0 0 "[ . 1]" 1
107 1 38 ALA H 1 65 THR CB 25.000 19.000 125.000 28.451 27.990 29.119 . 0 0 "[ . 1]" 1
108 1 39 VAL H 1 65 THR CB 25.000 19.000 125.000 27.255 26.728 27.762 . 0 0 "[ . 1]" 1
109 1 41 LEU H 1 65 THR CB 20.550 14.550 26.550 25.313 24.779 26.083 . 0 0 "[ . 1]" 1
110 1 45 VAL H 1 65 THR CB 15.930 9.930 21.930 19.694 18.971 20.339 . 0 0 "[ . 1]" 1
111 1 49 PHE H 1 65 THR CB 12.000 . 18.000 14.719 13.892 15.553 . 0 0 "[ . 1]" 1
112 1 50 SER H 1 65 THR CB 12.000 . 18.000 13.932 13.127 14.836 . 0 0 "[ . 1]" 1
113 1 53 SER H 1 65 THR CB 12.000 . 18.000 9.882 8.927 10.901 . 0 0 "[ . 1]" 1
114 1 65 THR CB 1 72 VAL H 12.000 . 18.000 11.292 10.624 11.753 . 0 0 "[ . 1]" 1
115 1 65 THR CB 1 73 LEU H 12.000 . 18.000 12.964 12.610 13.248 . 0 0 "[ . 1]" 1
116 1 65 THR CB 1 79 THR H 25.000 19.000 125.000 21.105 20.462 21.724 . 0 0 "[ . 1]" 1
117 1 65 THR CB 1 88 ALA H 25.000 19.000 125.000 35.161 34.446 35.793 . 0 0 "[ . 1]" 1
118 1 65 THR CB 1 89 GLY H 25.000 19.000 125.000 36.832 35.740 38.526 . 0 0 "[ . 1]" 1
119 1 65 THR CB 1 92 SER H 25.000 19.000 125.000 40.900 39.653 42.024 . 0 0 "[ . 1]" 1
120 1 65 THR CB 1 90 CYS H 25.000 19.000 125.000 38.306 36.936 38.889 . 0 0 "[ . 1]" 1
121 1 65 THR CB 1 96 GLY H 25.000 19.000 125.000 40.311 39.756 41.252 . 0 0 "[ . 1]" 1
122 1 65 THR CB 1 99 GLY H 25.000 19.000 125.000 39.221 38.110 40.399 . 0 0 "[ . 1]" 1
123 1 65 THR CB 1 101 LEU H 25.000 19.000 125.000 35.891 35.178 36.704 . 0 0 "[ . 1]" 1
124 1 65 THR CB 1 110 ILE H 25.000 19.000 125.000 32.690 32.048 33.180 . 0 0 "[ . 1]" 1
125 1 65 THR CB 1 118 ALA H 19.460 13.460 25.460 23.260 22.095 24.062 . 0 0 "[ . 1]" 1
126 1 65 THR CB 1 119 SER H 18.440 12.440 24.440 20.728 19.519 21.466 . 0 0 "[ . 1]" 1
127 1 65 THR CB 1 123 LEU H 17.050 11.050 23.050 16.579 15.761 17.104 . 0 0 "[ . 1]" 1
128 1 65 THR CB 1 124 CYS H 18.240 12.240 24.240 17.595 16.514 18.186 . 0 0 "[ . 1]" 1
129 1 65 THR CB 1 125 VAL H 12.000 . 18.000 18.123 17.563 18.421 0.421 2 0 "[ . 1]" 1
130 1 65 THR CB 1 126 GLY H 16.390 10.390 22.390 15.694 14.992 16.020 . 0 0 "[ . 1]" 1
131 1 65 THR CB 1 127 SER H 18.860 12.860 24.860 12.485 12.225 12.817 0.635 3 3 "[- + . * 1]" 1
132 1 65 THR CB 1 129 GLY H 17.510 11.510 23.510 13.987 11.712 15.497 . 0 0 "[ . 1]" 1
133 1 65 THR CB 1 136 ALA H 12.000 . 18.000 14.920 14.444 15.459 . 0 0 "[ . 1]" 1
134 1 65 THR CB 1 137 ILE H 16.310 10.310 22.310 13.790 13.325 14.288 . 0 0 "[ . 1]" 1
135 1 65 THR CB 1 138 ARG H 16.570 10.570 22.570 16.125 15.524 16.963 . 0 0 "[ . 1]" 1
136 1 65 THR CB 1 139 GLY H 12.000 . 18.000 18.195 18.008 18.335 0.335 5 0 "[ . 1]" 1
137 1 65 THR CB 1 143 LEU H 17.320 11.320 23.320 21.767 21.230 22.296 . 0 0 "[ . 1]" 1
138 1 65 THR CB 1 144 GLN H 19.240 13.240 25.240 21.710 21.047 22.025 . 0 0 "[ . 1]" 1
139 1 31 LYS H 1 87 SER CB 12.000 . 18.000 13.127 12.349 13.713 . 0 0 "[ . 1]" 1
140 1 32 CYS H 1 87 SER CB 12.000 . 18.000 13.846 13.099 14.612 . 0 0 "[ . 1]" 1
141 1 34 VAL H 1 87 SER CB 12.000 . 18.000 15.308 14.251 15.940 . 0 0 "[ . 1]" 1
142 1 35 TYR H 1 87 SER CB 16.180 10.180 22.180 13.667 12.618 14.263 . 0 0 "[ . 1]" 1
143 1 37 PHE H 1 87 SER CB 17.970 11.970 23.970 17.245 16.443 18.074 . 0 0 "[ . 1]" 1
144 1 38 ALA H 1 87 SER CB 12.000 . 18.000 16.567 15.824 17.089 . 0 0 "[ . 1]" 1
145 1 39 VAL H 1 87 SER CB 12.000 . 18.000 15.901 15.050 16.756 . 0 0 "[ . 1]" 1
146 1 40 PHE H 1 87 SER CB 17.850 11.850 23.850 18.626 17.535 19.552 . 0 0 "[ . 1]" 1
147 1 41 LEU H 1 87 SER CB 16.670 10.670 22.670 20.065 19.044 20.569 . 0 0 "[ . 1]" 1
148 1 42 ILE H 1 87 SER CB 19.250 13.250 25.250 19.177 18.019 19.801 . 0 0 "[ . 1]" 1
149 1 45 VAL H 1 87 SER CB 22.680 16.680 28.680 23.538 22.202 24.085 . 0 0 "[ . 1]" 1
150 1 50 SER H 1 87 SER CB 25.000 19.000 125.000 27.680 26.838 28.212 . 0 0 "[ . 1]" 1
151 1 51 VAL H 1 87 SER CB 25.000 19.000 125.000 30.481 29.797 31.035 . 0 0 "[ . 1]" 1
152 1 53 SER H 1 87 SER CB 25.000 19.000 125.000 30.910 30.133 31.659 . 0 0 "[ . 1]" 1
153 1 54 THR H 1 87 SER CB 25.000 19.000 125.000 32.139 31.329 32.833 . 0 0 "[ . 1]" 1
154 1 55 ILE H 1 87 SER CB 25.000 19.000 125.000 34.500 33.568 35.489 . 0 0 "[ . 1]" 1
155 1 57 GLN H 1 87 SER CB 25.000 19.000 125.000 33.796 32.872 34.974 . 0 0 "[ . 1]" 1
156 1 62 ALA H 1 87 SER CB 25.000 19.000 125.000 39.639 38.050 41.371 . 0 0 "[ . 1]" 1
157 1 63 THR H 1 87 SER CB 25.000 19.000 125.000 39.647 38.649 40.684 . 0 0 "[ . 1]" 1
158 1 64 GLY H 1 87 SER CB 25.000 19.000 125.000 39.737 38.532 40.366 . 0 0 "[ . 1]" 1
159 1 68 TRP H 1 87 SER CB 25.000 19.000 125.000 29.795 28.609 30.550 . 0 0 "[ . 1]" 1
160 1 80 GLU H 1 87 SER CB 16.020 10.020 22.020 11.921 11.481 12.731 . 0 0 "[ . 1]" 1
161 1 81 TYR H 1 87 SER CB 12.000 . 18.000 11.187 10.889 11.737 . 0 0 "[ . 1]" 1
162 1 86 TRP H 1 87 SER CB 12.000 . 18.000 5.409 5.093 5.638 . 0 0 "[ . 1]" 1
163 1 87 SER CB 1 88 ALA H 12.000 . 18.000 3.557 3.162 3.902 . 0 0 "[ . 1]" 1
164 1 87 SER CB 1 89 GLY H 12.000 . 18.000 4.790 4.522 5.389 . 0 0 "[ . 1]" 1
165 1 87 SER CB 1 90 CYS H 12.000 . 18.000 5.364 4.528 5.926 . 0 0 "[ . 1]" 1
166 1 87 SER CB 1 92 SER H 12.000 . 18.000 9.104 7.869 9.840 . 0 0 "[ . 1]" 1
167 1 87 SER CB 1 93 LYS H 12.000 . 18.000 10.212 9.167 11.598 . 0 0 "[ . 1]" 1
168 1 87 SER CB 1 94 TYR H 12.000 . 18.000 11.628 11.171 11.849 . 0 0 "[ . 1]" 1
169 1 87 SER CB 1 95 VAL H 12.000 . 18.000 12.126 11.672 12.455 . 0 0 "[ . 1]" 1
170 1 87 SER CB 1 96 GLY H 12.000 . 18.000 10.219 9.522 10.873 . 0 0 "[ . 1]" 1
171 1 87 SER CB 1 97 LEU H 12.000 . 18.000 9.239 8.817 9.824 . 0 0 "[ . 1]" 1
172 1 87 SER CB 1 99 GLY H 12.000 . 18.000 11.895 11.139 12.574 . 0 0 "[ . 1]" 1
173 1 87 SER CB 1 100 ARG H 12.000 . 18.000 10.097 9.836 10.619 . 0 0 "[ . 1]" 1
174 1 87 SER CB 1 102 ARG H 16.260 10.260 22.260 13.337 12.911 13.831 . 0 0 "[ . 1]" 1
175 1 87 SER CB 1 104 ALA H 16.870 10.870 22.870 14.147 12.591 15.980 . 0 0 "[ . 1]" 1
176 1 87 SER CB 1 105 ARG H 18.270 12.270 24.270 16.188 14.796 17.272 . 0 0 "[ . 1]" 1
177 1 87 SER CB 1 109 SER H 12.000 . 18.000 17.148 16.176 17.789 . 0 0 "[ . 1]" 1
178 1 87 SER CB 1 113 LEU H 21.220 15.220 27.220 16.423 15.858 16.710 . 0 0 "[ . 1]" 1
179 1 87 SER CB 1 117 VAL H 25.000 19.000 125.000 18.649 18.506 18.764 0.494 8 0 "[ . 1]" 1
180 1 87 SER CB 1 118 ALA H 25.000 19.000 125.000 21.048 20.741 21.327 . 0 0 "[ . 1]" 1
181 1 87 SER CB 1 119 SER H 22.360 16.360 28.360 20.583 19.822 21.389 . 0 0 "[ . 1]" 1
182 1 87 SER CB 1 120 MET H 25.000 19.000 125.000 20.033 19.788 20.436 . 0 0 "[ . 1]" 1
183 1 87 SER CB 1 124 CYS H 25.000 19.000 125.000 25.059 24.641 25.458 . 0 0 "[ . 1]" 1
184 1 87 SER CB 1 129 GLY H 25.000 19.000 125.000 34.821 32.291 36.367 . 0 0 "[ . 1]" 1
185 1 87 SER CB 1 134 THR H 25.000 19.000 125.000 30.946 30.299 31.971 . 0 0 "[ . 1]" 1
186 1 87 SER CB 1 135 SER H 25.000 19.000 125.000 28.635 27.973 29.643 . 0 0 "[ . 1]" 1
187 1 87 SER CB 1 137 ILE H 25.000 19.000 125.000 26.866 26.012 27.580 . 0 0 "[ . 1]" 1
188 1 87 SER CB 1 138 ARG H 25.000 19.000 125.000 27.511 26.830 28.078 . 0 0 "[ . 1]" 1
189 1 87 SER CB 1 139 GLY H 25.000 19.000 125.000 25.613 24.790 26.332 . 0 0 "[ . 1]" 1
190 1 87 SER CB 1 141 ARG H 19.000 13.000 25.000 23.342 22.424 24.259 . 0 0 "[ . 1]" 1
191 1 87 SER CB 1 142 PHE H 25.000 19.000 125.000 23.821 22.962 24.607 . 0 0 "[ . 1]" 1
192 1 87 SER CB 1 143 LEU H 25.000 19.000 125.000 21.517 20.944 22.065 . 0 0 "[ . 1]" 1
193 1 87 SER CB 1 144 GLN H 25.000 19.000 125.000 20.607 19.875 21.306 . 0 0 "[ . 1]" 1
194 1 87 SER CB 1 146 LEU H 25.000 19.000 125.000 21.075 20.541 21.706 . 0 0 "[ . 1]" 1
195 1 87 SER CB 1 147 ARG H 25.000 19.000 125.000 19.226 18.834 19.789 0.166 3 0 "[ . 1]" 1
196 1 87 SER CB 1 149 LEU H 25.000 19.000 125.000 20.274 19.552 21.433 . 0 0 "[ . 1]" 1
197 1 87 SER CB 1 150 HIS H 18.710 12.710 24.710 18.754 17.708 20.374 . 0 0 "[ . 1]" 1
198 1 34 VAL H 1 90 CYS CB 18.150 12.150 24.150 19.191 18.350 20.666 . 0 0 "[ . 1]" 1
199 1 37 PHE H 1 90 CYS CB 18.980 12.980 24.980 22.244 21.427 23.532 . 0 0 "[ . 1]" 1
200 1 38 ALA H 1 90 CYS CB 17.240 11.240 23.240 21.610 20.941 22.508 . 0 0 "[ . 1]" 1
201 1 39 VAL H 1 90 CYS CB 16.150 10.150 22.150 21.551 20.891 22.239 0.089 5 0 "[ . 1]" 1
202 1 42 ILE H 1 90 CYS CB 18.740 12.740 24.740 24.818 24.508 25.204 0.464 5 0 "[ . 1]" 1
203 1 47 LEU H 1 90 CYS CB 25.000 19.000 125.000 30.998 30.266 31.263 . 0 0 "[ . 1]" 1
204 1 48 ILE H 1 90 CYS CB 25.000 19.000 125.000 33.182 32.684 33.425 . 0 0 "[ . 1]" 1
205 1 50 SER H 1 90 CYS CB 25.000 19.000 125.000 33.576 33.217 33.913 . 0 0 "[ . 1]" 1
206 1 51 VAL H 1 90 CYS CB 25.000 19.000 125.000 36.425 35.918 36.863 . 0 0 "[ . 1]" 1
207 1 52 LEU H 1 90 CYS CB 25.000 19.000 125.000 37.427 37.070 37.634 . 0 0 "[ . 1]" 1
208 1 53 SER H 1 90 CYS CB 25.000 19.000 125.000 36.556 36.144 37.166 . 0 0 "[ . 1]" 1
209 1 54 THR H 1 90 CYS CB 25.000 19.000 125.000 37.894 37.466 38.581 . 0 0 "[ . 1]" 1
210 1 55 ILE H 1 90 CYS CB 25.000 19.000 125.000 40.168 39.821 40.830 . 0 0 "[ . 1]" 1
211 1 57 GLN H 1 90 CYS CB 25.000 19.000 125.000 39.205 38.625 40.291 . 0 0 "[ . 1]" 1
212 1 62 ALA H 1 90 CYS CB 25.000 19.000 125.000 44.403 42.943 46.156 . 0 0 "[ . 1]" 1
213 1 60 ALA H 1 90 CYS CB 25.000 19.000 125.000 41.127 40.253 41.913 . 0 0 "[ . 1]" 1
214 1 63 THR H 1 90 CYS CB 25.000 19.000 125.000 44.287 43.295 45.336 . 0 0 "[ . 1]" 1
215 1 64 GLY H 1 90 CYS CB 25.000 19.000 125.000 44.085 42.087 45.274 . 0 0 "[ . 1]" 1
216 1 68 TRP H 1 90 CYS CB 25.000 19.000 125.000 34.358 33.596 34.853 . 0 0 "[ . 1]" 1
217 1 72 VAL H 1 90 CYS CB 25.000 19.000 125.000 28.174 27.497 28.797 . 0 0 "[ . 1]" 1
218 1 73 LEU H 1 90 CYS CB 25.000 19.000 125.000 26.854 26.437 27.242 . 0 0 "[ . 1]" 1
219 1 78 GLY H 1 90 CYS CB 25.000 19.000 125.000 21.033 20.506 21.399 . 0 0 "[ . 1]" 1
220 1 79 THR H 1 90 CYS CB 25.000 19.000 125.000 18.741 18.431 18.937 0.569 5 1 "[ + 1]" 1
221 1 80 GLU H 1 90 CYS CB 16.220 10.220 22.220 17.233 17.054 17.686 . 0 0 "[ . 1]" 1
222 1 81 TYR H 1 90 CYS CB 19.490 13.490 25.490 16.856 16.431 17.413 . 0 0 "[ . 1]" 1
223 1 82 VAL H 1 90 CYS CB 20.150 14.150 26.150 15.193 14.848 15.573 . 0 0 "[ . 1]" 1
224 1 84 ARG H 1 90 CYS CB 12.000 . 18.000 12.085 11.533 12.821 . 0 0 "[ . 1]" 1
225 1 86 TRP H 1 90 CYS CB 12.000 . 18.000 9.281 8.883 9.765 . 0 0 "[ . 1]" 1
226 1 88 ALA H 1 90 CYS CB 12.000 . 18.000 7.044 6.269 8.159 . 0 0 "[ . 1]" 1
227 1 89 GLY H 1 90 CYS CB 12.000 . 18.000 5.082 4.715 5.572 . 0 0 "[ . 1]" 1
228 1 90 CYS CB 1 91 ARG H 12.000 . 18.000 3.208 2.796 3.466 . 0 0 "[ . 1]" 1
229 1 90 CYS CB 1 92 SER H 12.000 . 18.000 5.190 4.736 5.513 . 0 0 "[ . 1]" 1
230 1 90 CYS CB 1 94 TYR H 12.000 . 18.000 9.743 9.191 10.037 . 0 0 "[ . 1]" 1
231 1 90 CYS CB 1 95 VAL H 12.000 . 18.000 10.363 9.705 10.865 . 0 0 "[ . 1]" 1
232 1 90 CYS CB 1 96 GLY H 12.000 . 18.000 9.095 7.989 10.357 . 0 0 "[ . 1]" 1
233 1 90 CYS CB 1 99 GLY H 12.000 . 18.000 13.012 11.499 14.367 . 0 0 "[ . 1]" 1
234 1 90 CYS CB 1 102 ARG H 12.000 . 18.000 16.296 14.869 17.762 . 0 0 "[ . 1]" 1
235 1 90 CYS CB 1 104 ALA H 16.400 10.400 22.400 18.288 16.644 20.782 . 0 0 "[ . 1]" 1
236 1 90 CYS CB 1 105 ARG H 17.620 11.620 23.620 20.739 18.824 23.081 . 0 0 "[ . 1]" 1
237 1 90 CYS CB 1 110 ILE H 25.000 19.000 125.000 23.568 21.947 24.962 . 0 0 "[ . 1]" 1
238 1 90 CYS CB 1 111 ILE H 25.000 19.000 125.000 25.109 23.588 26.540 . 0 0 "[ . 1]" 1
239 1 90 CYS CB 1 113 LEU H 25.000 19.000 125.000 21.960 20.497 23.380 . 0 0 "[ . 1]" 1
240 1 90 CYS CB 1 115 VAL H 25.000 19.000 125.000 24.867 23.668 26.168 . 0 0 "[ . 1]" 1
241 1 90 CYS CB 1 117 VAL H 25.000 19.000 125.000 23.724 22.875 24.827 . 0 0 "[ . 1]" 1
242 1 90 CYS CB 1 118 ALA H 25.000 19.000 125.000 26.181 25.353 27.318 . 0 0 "[ . 1]" 1
243 1 90 CYS CB 1 119 SER H 22.340 16.340 28.340 25.843 25.058 26.958 . 0 0 "[ . 1]" 1
244 1 90 CYS CB 1 120 MET H 23.410 17.410 29.410 24.828 24.485 25.606 . 0 0 "[ . 1]" 1
245 1 90 CYS CB 1 123 LEU H 25.000 19.000 125.000 28.732 28.047 29.383 . 0 0 "[ . 1]" 1
246 1 90 CYS CB 1 126 GLY H 25.000 19.000 125.000 33.155 32.045 33.758 . 0 0 "[ . 1]" 1
247 1 90 CYS CB 1 127 SER H 25.000 19.000 125.000 35.077 32.391 36.549 . 0 0 "[ . 1]" 1
248 1 90 CYS CB 1 129 GLY H 25.000 19.000 125.000 39.644 36.430 40.975 . 0 0 "[ . 1]" 1
249 1 90 CYS CB 1 130 GLN H 25.000 19.000 125.000 40.603 39.183 41.863 . 0 0 "[ . 1]" 1
250 1 90 CYS CB 1 131 VAL H 25.000 19.000 125.000 38.476 36.510 39.773 . 0 0 "[ . 1]" 1
251 1 90 CYS CB 1 134 THR H 25.000 19.000 125.000 36.510 35.770 37.826 . 0 0 "[ . 1]" 1
252 1 90 CYS CB 1 135 SER H 25.000 19.000 125.000 34.202 33.747 35.523 . 0 0 "[ . 1]" 1
253 1 90 CYS CB 1 137 ILE H 25.000 19.000 125.000 32.625 31.901 33.951 . 0 0 "[ . 1]" 1
254 1 90 CYS CB 1 138 ARG H 25.000 19.000 125.000 33.498 32.823 34.441 . 0 0 "[ . 1]" 1
255 1 90 CYS CB 1 139 GLY H 25.000 19.000 125.000 31.624 31.104 32.336 . 0 0 "[ . 1]" 1
256 1 90 CYS CB 1 143 LEU H 25.000 19.000 125.000 27.832 26.817 28.557 . 0 0 "[ . 1]" 1
257 1 90 CYS CB 1 142 PHE H 25.000 19.000 125.000 30.101 29.210 31.005 . 0 0 "[ . 1]" 1
258 1 90 CYS CB 1 146 LEU H 25.000 19.000 125.000 27.570 25.968 29.007 . 0 0 "[ . 1]" 1
259 1 90 CYS CB 1 147 ARG H 25.000 19.000 125.000 25.721 24.197 26.836 . 0 0 "[ . 1]" 1
260 1 90 CYS CB 1 148 MET H 25.000 19.000 125.000 26.513 25.114 28.333 . 0 0 "[ . 1]" 1
261 1 90 CYS CB 1 149 LEU H 25.000 19.000 125.000 26.628 24.585 28.357 . 0 0 "[ . 1]" 1
262 1 32 CYS H 1 124 CYS CB 25.000 19.000 125.000 34.449 33.291 35.392 . 0 0 "[ . 1]" 1
263 1 34 VAL H 1 124 CYS CB 25.000 19.000 125.000 33.601 32.883 35.001 . 0 0 "[ . 1]" 1
264 1 45 VAL H 1 124 CYS CB 19.820 13.820 25.820 25.907 25.641 26.081 0.261 8 0 "[ . 1]" 1
265 1 55 ILE H 1 124 CYS CB 17.850 11.850 23.850 22.350 21.557 23.185 . 0 0 "[ . 1]" 1
266 1 57 GLN H 1 124 CYS CB 15.910 9.910 21.910 19.308 18.750 20.115 . 0 0 "[ . 1]" 1
267 1 60 ALA H 1 124 CYS CB 16.110 10.110 22.110 19.005 17.842 19.432 . 0 0 "[ . 1]" 1
268 1 63 THR H 1 124 CYS CB 18.360 12.360 24.360 21.179 19.745 22.601 . 0 0 "[ . 1]" 1
269 1 66 LEU H 1 124 CYS CB 16.960 10.960 22.960 21.042 20.265 21.641 . 0 0 "[ . 1]" 1
270 1 75 VAL H 1 124 CYS CB 18.810 12.810 24.810 12.666 12.465 13.318 0.345 4 0 "[ . 1]" 1
271 1 79 THR H 1 124 CYS CB 20.170 14.170 26.170 14.065 13.955 14.177 0.215 8 0 "[ . 1]" 1
272 1 80 GLU H 1 124 CYS CB 21.070 15.070 27.070 16.434 16.184 16.800 . 0 0 "[ . 1]" 1
273 1 84 ARG H 1 124 CYS CB 21.880 15.880 27.880 19.792 19.311 20.361 . 0 0 "[ . 1]" 1
274 1 85 LEU H 1 124 CYS CB 25.000 19.000 125.000 19.550 18.976 20.107 0.024 7 0 "[ . 1]" 1
275 1 87 SER H 1 124 CYS CB 21.120 15.120 27.120 23.170 22.556 23.795 . 0 0 "[ . 1]" 1
276 1 86 TRP H 1 124 CYS CB 21.570 15.570 27.570 20.544 19.916 21.196 . 0 0 "[ . 1]" 1
277 1 88 ALA H 1 124 CYS CB 25.000 19.000 125.000 24.051 23.243 24.562 . 0 0 "[ . 1]" 1
278 1 89 GLY H 1 124 CYS CB 25.000 19.000 125.000 25.435 24.571 26.862 . 0 0 "[ . 1]" 1
279 1 90 CYS H 1 124 CYS CB 21.480 15.480 27.480 27.482 27.160 27.781 0.301 5 0 "[ . 1]" 1
280 1 98 TRP H 1 124 CYS CB 25.000 19.000 125.000 22.722 22.071 23.900 . 0 0 "[ . 1]" 1
281 1 99 GLY H 1 124 CYS CB 25.000 19.000 125.000 24.464 23.477 25.632 . 0 0 "[ . 1]" 1
282 1 101 LEU H 1 124 CYS CB 25.000 19.000 125.000 21.783 20.974 22.893 . 0 0 "[ . 1]" 1
283 1 104 ALA H 1 124 CYS CB 25.000 19.000 125.000 23.142 21.726 25.161 . 0 0 "[ . 1]" 1
284 1 105 ARG H 1 124 CYS CB 25.000 19.000 125.000 24.542 23.137 26.632 . 0 0 "[ . 1]" 1
285 1 106 LYS H 1 124 CYS CB 25.000 19.000 125.000 25.451 24.157 26.638 . 0 0 "[ . 1]" 1
286 1 112 ASP H 1 124 CYS CB 18.190 12.190 24.190 19.009 18.626 19.295 . 0 0 "[ . 1]" 1
287 1 113 LEU H 1 124 CYS CB 17.640 11.640 23.640 17.495 16.980 17.954 . 0 0 "[ . 1]" 1
288 1 115 VAL H 1 124 CYS CB 19.840 13.840 25.840 14.732 14.312 15.002 . 0 0 "[ . 1]" 1
289 1 117 VAL H 1 124 CYS CB 16.200 10.200 22.200 11.219 10.763 11.541 . 0 0 "[ . 1]" 1
290 1 119 SER H 1 124 CYS CB 12.000 . 18.000 9.435 9.219 9.657 . 0 0 "[ . 1]" 1
291 1 120 MET H 1 124 CYS CB 12.000 . 18.000 7.317 6.914 7.566 . 0 0 "[ . 1]" 1
292 1 124 CYS CB 1 125 VAL H 12.000 . 18.000 3.090 2.906 3.274 . 0 0 "[ . 1]" 1
293 1 124 CYS CB 1 126 GLY H 12.000 . 18.000 4.990 4.659 5.314 . 0 0 "[ . 1]" 1
294 1 124 CYS CB 1 129 GLY H 12.000 . 18.000 12.568 9.899 13.246 . 0 0 "[ . 1]" 1
295 1 124 CYS CB 1 130 GLN H 12.000 . 18.000 14.605 13.045 15.597 . 0 0 "[ . 1]" 1
296 1 124 CYS CB 1 131 VAL H 12.000 . 18.000 12.732 11.502 13.741 . 0 0 "[ . 1]" 1
297 1 124 CYS CB 1 134 THR H 12.000 . 18.000 14.042 13.195 14.851 . 0 0 "[ . 1]" 1
298 1 124 CYS CB 1 135 SER H 12.000 . 18.000 12.491 11.759 13.091 . 0 0 "[ . 1]" 1
299 1 124 CYS CB 1 136 ALA H 12.000 . 18.000 11.397 10.308 12.043 . 0 0 "[ . 1]" 1
300 1 124 CYS CB 1 137 ILE H 12.000 . 18.000 14.086 12.839 14.977 . 0 0 "[ . 1]" 1
301 1 124 CYS CB 1 138 ARG H 12.000 . 18.000 15.989 15.033 16.523 . 0 0 "[ . 1]" 1
302 1 124 CYS CB 1 139 GLY H 12.000 . 18.000 15.350 14.792 15.954 . 0 0 "[ . 1]" 1
303 1 124 CYS CB 1 142 PHE H 12.000 . 18.000 18.307 18.131 18.448 0.448 8 0 "[ . 1]" 1
304 1 124 CYS CB 1 147 ARG H 25.000 19.000 125.000 23.737 23.263 24.091 . 0 0 "[ . 1]" 1
305 1 124 CYS CB 1 148 MET H 25.000 19.000 125.000 26.142 25.752 26.383 . 0 0 "[ . 1]" 1
306 1 31 LYS H 1 124 CYS CB 25.000 19.000 125.000 34.897 34.348 36.180 . 0 0 "[ . 1]" 1
307 1 31 LYS H 1 134 THR CB 25.000 19.000 125.000 35.969 35.704 36.380 . 0 0 "[ . 1]" 1
308 1 32 CYS H 1 134 THR CB 25.000 19.000 125.000 34.456 34.137 34.872 . 0 0 "[ . 1]" 1
309 1 36 HIS H 1 134 THR CB 25.000 19.000 125.000 29.680 29.322 29.957 . 0 0 "[ . 1]" 1
310 1 41 LEU H 1 134 THR CB 20.270 14.270 26.270 24.930 23.945 25.489 . 0 0 "[ . 1]" 1
311 1 44 LEU H 1 134 THR CB 19.710 13.710 25.710 20.823 19.593 21.456 . 0 0 "[ . 1]" 1
312 1 45 VAL H 1 134 THR CB 19.240 13.240 25.240 20.496 19.310 21.154 . 0 0 "[ . 1]" 1
313 1 48 ILE H 1 134 THR CB 12.000 . 18.000 17.527 16.451 18.147 0.147 6 0 "[ . 1]" 1
314 1 50 SER H 1 134 THR CB 12.000 . 18.000 14.041 12.751 14.932 . 0 0 "[ . 1]" 1
315 1 51 VAL H 1 134 THR CB 16.320 10.320 22.320 14.211 13.264 14.848 . 0 0 "[ . 1]" 1
316 1 52 LEU H 1 134 THR CB 12.000 . 18.000 15.018 14.080 15.944 . 0 0 "[ . 1]" 1
317 1 53 SER H 1 134 THR CB 12.000 . 18.000 13.360 12.511 14.516 . 0 0 "[ . 1]" 1
318 1 54 THR H 1 134 THR CB 16.210 10.210 22.210 11.193 10.274 12.191 . 0 0 "[ . 1]" 1
319 1 55 ILE H 1 134 THR CB 17.420 11.420 23.420 12.201 11.381 13.242 0.039 1 0 "[ . 1]" 1
320 1 57 GLN H 1 134 THR CB 16.980 10.980 22.980 11.088 10.596 11.994 0.384 4 0 "[ . 1]" 1
321 1 58 TYR H 1 134 THR CB 17.510 11.510 23.510 11.480 11.153 11.965 0.357 2 0 "[ . 1]" 1
322 1 60 ALA H 1 134 THR CB 16.210 10.210 22.210 13.410 12.599 14.342 . 0 0 "[ . 1]" 1
323 1 62 ALA H 1 134 THR CB 12.000 . 18.000 16.137 15.219 17.890 . 0 0 "[ . 1]" 1
324 1 63 THR H 1 134 THR CB 18.650 12.650 24.650 17.582 16.740 19.135 . 0 0 "[ . 1]" 1
325 1 73 LEU H 1 134 THR CB 12.000 . 18.000 16.157 15.187 17.379 . 0 0 "[ . 1]" 1
326 1 78 GLY H 1 134 THR CB 15.990 9.990 21.990 16.752 15.973 17.614 . 0 0 "[ . 1]" 1
327 1 79 THR H 1 134 THR CB 25.000 19.000 125.000 19.580 18.964 20.428 0.036 10 0 "[ . 1]" 1
328 1 80 GLU H 1 134 THR CB 25.000 19.000 125.000 20.688 19.943 21.512 . 0 0 "[ . 1]" 1
329 1 81 TYR H 1 134 THR CB 21.960 15.960 27.960 20.218 19.681 20.996 . 0 0 "[ . 1]" 1
330 1 84 ARG H 1 134 THR CB 25.000 19.000 125.000 24.950 24.481 25.748 . 0 0 "[ . 1]" 1
331 1 86 TRP H 1 134 THR CB 25.000 19.000 125.000 27.885 27.342 28.713 . 0 0 "[ . 1]" 1
332 1 87 SER H 1 134 THR CB 25.000 19.000 125.000 29.646 29.212 30.369 . 0 0 "[ . 1]" 1
333 1 88 ALA H 1 134 THR CB 25.000 19.000 125.000 30.658 30.009 31.428 . 0 0 "[ . 1]" 1
334 1 89 GLY H 1 134 THR CB 25.000 19.000 125.000 32.950 32.188 33.972 . 0 0 "[ . 1]" 1
335 1 90 CYS H 1 134 THR CB 25.000 19.000 125.000 35.027 34.162 36.586 . 0 0 "[ . 1]" 1
336 1 91 ARG H 1 134 THR CB 25.000 19.000 125.000 37.356 36.492 38.485 . 0 0 "[ . 1]" 1
337 1 95 VAL H 1 134 THR CB 25.000 19.000 125.000 35.333 34.264 36.095 . 0 0 "[ . 1]" 1
338 1 96 GLY H 1 134 THR CB 25.000 19.000 125.000 34.848 33.748 36.067 . 0 0 "[ . 1]" 1
339 1 97 LEU H 1 134 THR CB 25.000 19.000 125.000 32.152 31.159 33.185 . 0 0 "[ . 1]" 1
340 1 99 GLY H 1 134 THR CB 25.000 19.000 125.000 32.006 30.535 33.158 . 0 0 "[ . 1]" 1
341 1 101 LEU H 1 134 THR CB 25.000 19.000 125.000 28.163 27.232 29.047 . 0 0 "[ . 1]" 1
342 1 105 ARG H 1 134 THR CB 25.000 19.000 125.000 26.101 24.255 28.481 . 0 0 "[ . 1]" 1
343 1 104 ALA H 1 134 THR CB 25.000 19.000 125.000 26.625 25.201 28.405 . 0 0 "[ . 1]" 1
344 1 110 ILE H 1 134 THR CB 25.000 19.000 125.000 21.053 20.559 21.644 . 0 0 "[ . 1]" 1
345 1 111 ILE H 1 134 THR CB 18.160 12.160 24.160 18.525 17.924 19.192 . 0 0 "[ . 1]" 1
346 1 112 ASP H 1 134 THR CB 17.810 11.810 23.810 17.912 17.331 18.200 . 0 0 "[ . 1]" 1
347 1 113 LEU H 1 134 THR CB 16.660 10.660 22.660 18.554 18.015 18.857 . 0 0 "[ . 1]" 1
348 1 116 VAL H 1 134 THR CB 21.320 15.320 27.320 15.229 15.081 15.491 0.239 8 0 "[ . 1]" 1
349 1 117 VAL H 1 134 THR CB 20.110 14.110 26.110 15.142 14.831 15.695 . 0 0 "[ . 1]" 1
350 1 118 ALA H 1 134 THR CB 17.470 11.470 23.470 12.925 12.565 13.501 . 0 0 "[ . 1]" 1
351 1 119 SER H 1 134 THR CB 16.400 10.400 22.400 11.890 11.445 12.306 . 0 0 "[ . 1]" 1
352 1 120 MET H 1 134 THR CB 16.940 10.940 22.940 13.736 13.335 14.033 . 0 0 "[ . 1]" 1
353 1 126 GLY H 1 134 THR CB 12.000 . 18.000 12.675 11.953 14.338 . 0 0 "[ . 1]" 1
354 1 127 SER H 1 134 THR CB 12.000 . 18.000 12.978 12.262 13.423 . 0 0 "[ . 1]" 1
355 1 129 GLY H 1 134 THR CB 12.000 . 18.000 9.501 7.623 10.583 . 0 0 "[ . 1]" 1
356 1 130 GLN H 1 134 THR CB 12.000 . 18.000 7.613 7.044 8.121 . 0 0 "[ . 1]" 1
357 1 131 VAL H 1 134 THR CB 12.000 . 18.000 6.163 5.711 6.357 . 0 0 "[ . 1]" 1
358 1 132 PHE H 1 134 THR CB 12.000 . 18.000 6.648 6.405 6.805 . 0 0 "[ . 1]" 1
359 1 134 THR CB 1 136 ALA H 12.000 . 18.000 5.546 5.220 5.743 . 0 0 "[ . 1]" 1
360 1 134 THR CB 1 137 ILE H 12.000 . 18.000 5.546 5.314 5.928 . 0 0 "[ . 1]" 1
361 1 134 THR CB 1 138 ARG H 12.000 . 18.000 4.669 4.424 5.020 . 0 0 "[ . 1]" 1
362 1 134 THR CB 1 139 GLY H 12.000 . 18.000 6.138 5.436 7.220 . 0 0 "[ . 1]" 1
363 1 134 THR CB 1 142 PHE H 12.000 . 18.000 9.771 9.451 10.349 . 0 0 "[ . 1]" 1
364 1 134 THR CB 1 144 GLN H 18.710 12.710 24.710 13.625 13.269 14.245 . 0 0 "[ . 1]" 1
365 1 134 THR CB 1 147 ARG H 16.440 10.440 22.440 18.166 17.454 18.525 . 0 0 "[ . 1]" 1
366 1 134 THR CB 1 148 MET H 18.880 12.880 24.880 20.030 19.149 20.576 . 0 0 "[ . 1]" 1
367 1 134 THR CB 1 149 LEU H 19.660 13.660 25.660 21.600 20.758 22.141 . 0 0 "[ . 1]" 1
368 1 134 THR CB 1 150 HIS H 18.210 12.210 24.210 22.440 21.691 23.192 . 0 0 "[ . 1]" 1
369 1 31 LYS H 1 148 MET CB 25.000 19.000 125.000 20.141 19.248 20.917 . 0 0 "[ . 1]" 1
370 1 38 ALA H 1 148 MET CB 20.420 14.420 26.420 14.046 13.918 14.145 0.502 3 1 "[ + . 1]" 1
371 1 49 PHE H 1 148 MET CB 20.350 14.350 26.350 15.814 15.090 16.983 . 0 0 "[ . 1]" 1
372 1 52 LEU H 1 148 MET CB 25.000 19.000 125.000 19.220 18.711 20.542 0.289 5 0 "[ . 1]" 1
373 1 53 SER H 1 148 MET CB 17.750 11.750 23.750 19.862 19.163 20.845 . 0 0 "[ . 1]" 1
374 1 54 THR H 1 148 MET CB 25.000 19.000 125.000 20.385 19.711 21.593 . 0 0 "[ . 1]" 1
375 1 79 THR H 1 148 MET CB 25.000 19.000 125.000 19.678 18.957 20.136 0.043 5 0 "[ . 1]" 1
376 1 80 GLU H 1 148 MET CB 21.570 15.570 27.570 17.902 17.205 18.334 . 0 0 "[ . 1]" 1
377 1 86 TRP H 1 148 MET CB 25.000 19.000 125.000 23.007 22.436 23.983 . 0 0 "[ . 1]" 1
378 1 87 SER H 1 148 MET CB 25.000 19.000 125.000 22.664 22.119 23.413 . 0 0 "[ . 1]" 1
379 1 88 ALA H 1 148 MET CB 25.000 19.000 125.000 23.530 22.738 24.731 . 0 0 "[ . 1]" 1
380 1 89 GLY H 1 148 MET CB 25.000 19.000 125.000 26.077 25.399 26.815 . 0 0 "[ . 1]" 1
381 1 90 CYS H 1 148 MET CB 25.000 19.000 125.000 27.380 26.052 28.707 . 0 0 "[ . 1]" 1
382 1 97 LEU H 1 148 MET CB 25.000 19.000 125.000 27.652 26.794 28.784 . 0 0 "[ . 1]" 1
383 1 99 GLY H 1 148 MET CB 25.000 19.000 125.000 27.455 26.206 28.998 . 0 0 "[ . 1]" 1
384 1 104 ALA H 1 148 MET CB 20.750 14.750 26.750 21.128 19.921 22.508 . 0 0 "[ . 1]" 1
385 1 112 ASP H 1 148 MET CB 20.370 14.370 26.370 14.137 13.999 14.419 0.371 3 0 "[ . 1]" 1
386 1 113 LEU H 1 148 MET CB 18.050 12.050 24.050 16.504 16.202 17.050 . 0 0 "[ . 1]" 1
387 1 117 VAL H 1 148 MET CB 25.000 19.000 125.000 19.792 19.309 20.152 . 0 0 "[ . 1]" 1
388 1 119 SER H 1 148 MET CB 25.000 19.000 125.000 19.388 18.873 19.735 0.127 3 0 "[ . 1]" 1
389 1 123 LEU H 1 148 MET CB 25.000 19.000 125.000 23.880 23.093 24.535 . 0 0 "[ . 1]" 1
390 1 124 CYS H 1 148 MET CB 25.000 19.000 125.000 26.282 25.600 26.672 . 0 0 "[ . 1]" 1
391 1 134 THR H 1 148 MET CB 21.220 15.220 27.220 22.319 21.235 23.134 . 0 0 "[ . 1]" 1
392 1 135 SER H 1 148 MET CB 20.690 14.690 26.690 20.990 19.863 21.862 . 0 0 "[ . 1]" 1
393 1 136 ALA H 1 148 MET CB 18.330 12.330 24.330 19.940 18.766 21.018 . 0 0 "[ . 1]" 1
394 1 137 ILE H 1 148 MET CB 17.910 11.910 23.910 18.322 16.869 19.520 . 0 0 "[ . 1]" 1
395 1 138 ARG H 1 148 MET CB 17.410 11.410 23.410 16.883 15.770 17.768 . 0 0 "[ . 1]" 1
396 1 139 GLY H 1 148 MET CB 17.440 11.440 23.440 15.764 14.138 16.735 . 0 0 "[ . 1]" 1
397 1 141 ARG H 1 148 MET CB 17.190 11.190 23.190 13.168 12.106 13.863 . 0 0 "[ . 1]" 1
398 1 142 PHE H 1 148 MET CB 12.000 . 18.000 11.677 10.595 12.339 . 0 0 "[ . 1]" 1
399 1 143 LEU H 1 148 MET CB 12.000 . 18.000 10.719 9.708 11.420 . 0 0 "[ . 1]" 1
400 1 146 LEU H 1 148 MET CB 12.000 . 18.000 5.721 4.924 6.145 . 0 0 "[ . 1]" 1
401 1 147 ARG H 1 148 MET CB 12.000 . 18.000 4.947 4.515 5.464 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 827
_Distance_constraint_stats_list.Viol_count 1473
_Distance_constraint_stats_list.Viol_total 2616.882
_Distance_constraint_stats_list.Viol_max 1.881
_Distance_constraint_stats_list.Viol_rms 0.1143
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0316
_Distance_constraint_stats_list.Viol_average_violations_only 0.1777
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 10 VAL 4.855 0.357 9 0 "[ . 1]"
1 11 LEU 14.709 1.565 4 5 "[ +* ** -]"
1 12 ALA 10.492 1.089 8 4 "[ * *+ -]"
1 13 ARG 10.090 1.089 8 2 "[ - . + 1]"
1 14 THR 8.925 1.302 8 3 "[ * -+ 1]"
1 15 HIS 10.676 1.565 4 3 "[ +. - *]"
1 16 VAL 7.484 0.510 9 1 "[ . +1]"
1 17 GLN 6.855 0.510 9 2 "[ - . +1]"
1 18 GLY 1.618 0.419 3 0 "[ . 1]"
1 19 ARG 3.942 0.425 2 0 "[ . 1]"
1 20 VAL 3.837 0.334 8 0 "[ . 1]"
1 21 TYR 1.503 0.141 9 0 "[ . 1]"
1 22 ASN 1.507 0.154 4 0 "[ . 1]"
1 23 PHE 3.865 0.348 8 0 "[ . 1]"
1 24 LEU 13.651 1.365 9 9 "[*** **-*+*]"
1 25 GLU 11.089 1.365 9 9 "[*** **-*+*]"
1 26 ARG 2.341 0.348 8 0 "[ . 1]"
1 27 PRO 0.000 0.000 . 0 "[ . 1]"
1 28 THR 8.868 1.352 4 10 [***+-*****]
1 29 GLY 0.000 0.000 . 0 "[ . 1]"
1 30 TRP 9.493 1.352 4 10 [***+-*****]
1 31 LYS 0.240 0.149 2 0 "[ . 1]"
1 32 CYS 1.660 0.199 1 0 "[ . 1]"
1 33 PHE 1.071 0.154 8 0 "[ . 1]"
1 34 VAL 1.722 0.199 1 0 "[ . 1]"
1 35 TYR 0.147 0.092 1 0 "[ . 1]"
1 36 HIS 0.615 0.148 2 0 "[ . 1]"
1 37 PHE 0.952 0.178 9 0 "[ . 1]"
1 38 ALA 2.124 0.191 8 0 "[ . 1]"
1 39 VAL 3.287 0.757 3 1 "[ + . 1]"
1 40 PHE 0.470 0.263 9 0 "[ . 1]"
1 41 LEU 0.857 0.263 9 0 "[ . 1]"
1 42 ILE 3.412 0.231 4 0 "[ . 1]"
1 43 VAL 2.270 0.287 9 0 "[ . 1]"
1 44 LEU 1.651 0.287 9 0 "[ . 1]"
1 45 VAL 1.327 0.282 4 0 "[ . 1]"
1 46 CYS 1.317 0.282 4 0 "[ . 1]"
1 47 LEU 0.624 0.116 9 0 "[ . 1]"
1 48 ILE 0.000 0.000 . 0 "[ . 1]"
1 49 PHE 0.153 0.075 8 0 "[ . 1]"
1 50 SER 0.000 0.000 . 0 "[ . 1]"
1 51 VAL 0.000 0.000 . 0 "[ . 1]"
1 52 LEU 0.000 0.000 . 0 "[ . 1]"
1 53 SER 0.000 0.000 . 0 "[ . 1]"
1 54 THR 2.071 0.452 5 0 "[ . 1]"
1 55 ILE 4.883 0.774 10 1 "[ . +]"
1 56 GLU 1.886 0.774 10 1 "[ . +]"
1 57 GLN 1.941 0.284 8 0 "[ . 1]"
1 58 TYR 0.015 0.015 8 0 "[ . 1]"
1 59 ALA 1.678 0.224 2 0 "[ . 1]"
1 60 ALA 1.716 0.284 8 0 "[ . 1]"
1 61 LEU 1.668 0.168 5 0 "[ . 1]"
1 62 ALA 5.474 0.701 6 5 "[* **.+- 1]"
1 63 THR 0.776 0.167 1 0 "[ . 1]"
1 64 GLY 5.342 0.701 6 5 "[* **.+- 1]"
1 68 TRP 0.010 0.010 1 0 "[ . 1]"
1 71 ILE 0.010 0.010 1 0 "[ . 1]"
1 72 VAL 0.000 0.000 . 0 "[ . 1]"
1 73 LEU 1.447 0.231 4 0 "[ . 1]"
1 74 VAL 0.000 0.000 . 0 "[ . 1]"
1 78 GLY 0.000 0.000 . 0 "[ . 1]"
1 79 THR 0.000 0.000 . 0 "[ . 1]"
1 80 GLU 0.240 0.070 2 0 "[ . 1]"
1 81 TYR 1.725 0.289 4 0 "[ . 1]"
1 83 VAL 0.000 0.000 . 0 "[ . 1]"
1 84 ARG 0.000 0.000 . 0 "[ . 1]"
1 85 LEU 0.214 0.106 9 0 "[ . 1]"
1 86 TRP 0.026 0.026 2 0 "[ . 1]"
1 87 SER 2.845 0.334 8 0 "[ . 1]"
1 88 ALA 3.764 1.299 7 1 "[ . + 1]"
1 89 GLY 4.825 0.413 7 0 "[ . 1]"
1 90 CYS 0.383 0.305 7 0 "[ . 1]"
1 91 ARG 4.965 0.413 7 0 "[ . 1]"
1 92 SER 1.304 0.295 6 0 "[ . 1]"
1 93 LYS 2.948 0.319 3 0 "[ . 1]"
1 94 TYR 2.761 0.319 3 0 "[ . 1]"
1 95 VAL 6.286 1.299 7 1 "[ . + 1]"
1 96 GLY 0.080 0.065 7 0 "[ . 1]"
1 97 LEU 1.982 0.531 5 2 "[ + -1]"
1 98 TRP 1.550 0.239 4 0 "[ . 1]"
1 99 GLY 3.752 0.747 9 1 "[ . +1]"
1 100 ARG 7.154 0.747 9 2 "[ * +1]"
1 101 LEU 4.320 0.292 1 0 "[ . 1]"
1 102 ARG 1.629 0.278 1 0 "[ . 1]"
1 103 PHE 2.260 0.276 6 0 "[ . 1]"
1 104 ALA 6.175 0.427 7 0 "[ . 1]"
1 105 ARG 3.352 0.427 7 0 "[ . 1]"
1 106 LYS 0.000 0.000 . 0 "[ . 1]"
1 108 ILE 0.051 0.051 2 0 "[ . 1]"
1 109 SER 3.044 0.393 10 0 "[ . 1]"
1 110 ILE 0.000 0.000 . 0 "[ . 1]"
1 111 ILE 0.051 0.051 2 0 "[ . 1]"
1 113 LEU 3.044 0.393 10 0 "[ . 1]"
1 114 ILE 0.000 0.000 . 0 "[ . 1]"
1 115 VAL 0.000 0.000 . 0 "[ . 1]"
1 116 VAL 0.106 0.106 6 0 "[ . 1]"
1 117 VAL 4.081 0.289 4 0 "[ . 1]"
1 118 ALA 5.500 0.356 4 0 "[ . 1]"
1 119 SER 1.613 0.116 8 0 "[ . 1]"
1 120 MET 3.011 0.348 1 0 "[ . 1]"
1 121 VAL 2.760 0.348 1 0 "[ . 1]"
1 122 VAL 1.626 0.233 2 0 "[ . 1]"
1 123 LEU 0.614 0.281 4 0 "[ . 1]"
1 124 CYS 0.000 0.000 . 0 "[ . 1]"
1 125 VAL 0.622 0.139 8 0 "[ . 1]"
1 126 GLY 0.000 0.000 . 0 "[ . 1]"
1 127 SER 0.511 0.139 10 0 "[ . 1]"
1 128 LYS 17.754 1.431 8 5 "[ - * *+*1]"
1 129 GLY 5.016 1.481 5 1 "[ + 1]"
1 130 GLN 10.033 1.481 5 5 "[ - + ***1]"
1 131 VAL 13.711 1.431 8 4 "[ * +-*]"
1 132 PHE 4.274 0.295 5 0 "[ . 1]"
1 133 ALA 0.589 0.211 4 0 "[ . 1]"
1 134 THR 11.551 0.813 5 3 "[ + -*]"
1 135 SER 2.015 0.207 3 0 "[ . 1]"
1 136 ALA 4.620 0.813 5 1 "[ + 1]"
1 137 ILE 16.299 1.133 1 10 [+******-**]
1 138 ARG 10.941 1.133 1 10 [+******-**]
1 139 GLY 1.835 0.239 2 0 "[ . 1]"
1 140 ILE 5.912 0.451 6 0 "[ . 1]"
1 141 ARG 8.071 0.652 3 2 "[ + . -]"
1 142 PHE 3.529 0.331 4 0 "[ . 1]"
1 143 LEU 0.896 0.211 6 0 "[ . 1]"
1 144 GLN 9.578 0.991 3 2 "[ + . -]"
1 145 ILE 9.945 0.599 3 3 "[ + . - *]"
1 146 LEU 9.762 0.599 3 3 "[ + . - *]"
1 147 ARG 7.239 0.991 3 1 "[ + . 1]"
1 148 MET 16.515 1.881 10 5 "[ -*.** +]"
1 149 LEU 7.946 0.429 5 0 "[ . 1]"
1 150 HIS 4.531 0.373 8 0 "[ . 1]"
1 151 VAL 6.813 0.677 10 2 "[- . +]"
1 152 ASP 15.081 1.881 10 6 "[* -*.** +]"
1 153 ARG 9.140 0.594 5 1 "[ + 1]"
1 154 GLN 9.483 1.629 6 2 "[ -+ 1]"
1 155 GLY 2.018 0.252 4 0 "[ . 1]"
1 156 GLY 1.520 0.341 8 0 "[ . 1]"
1 157 THR 10.445 1.629 6 1 "[ .+ 1]"
1 158 TRP 5.686 0.386 8 0 "[ . 1]"
1 159 ARG 0.838 0.257 4 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 20 VAL QG 1 87 SER H 4.200 . 5.500 5.658 5.525 5.834 0.334 8 0 "[ . 1]" 2
2 1 24 LEU QD 1 84 ARG H 4.200 . 5.500 4.318 3.909 4.855 . 0 0 "[ . 1]" 2
3 1 24 LEU HG 1 87 SER H 4.200 . 5.500 5.511 5.295 5.716 0.216 8 0 "[ . 1]" 2
4 1 39 VAL QG 1 148 MET H 3.500 . 4.500 4.814 4.643 5.257 0.757 3 1 "[ + . 1]" 2
5 1 151 VAL QG 1 157 THR H 4.200 . 5.500 4.808 3.988 5.735 0.235 8 0 "[ . 1]" 2
6 1 24 LEU QD 1 84 ARG HA 3.500 . 4.500 3.122 2.487 4.103 . 0 0 "[ . 1]" 2
7 1 151 VAL QG 1 158 TRP HA 4.200 . 5.500 5.341 4.343 5.829 0.329 9 0 "[ . 1]" 2
8 1 24 LEU QB 1 83 VAL QG 4.200 . 5.500 3.922 3.650 4.300 . 0 0 "[ . 1]" 2
9 1 24 LEU QD 1 83 VAL QG 4.200 . 5.500 1.975 1.899 2.117 . 0 0 "[ . 1]" 2
10 1 42 ILE MD 1 73 LEU QD 2.800 . 3.500 3.645 3.591 3.731 0.231 4 0 "[ . 1]" 2
11 1 42 ILE MG 1 73 LEU QD 2.800 . 3.500 2.692 2.057 3.475 . 0 0 "[ . 1]" 2
12 1 78 GLY QA 1 116 VAL QG 4.200 . 5.500 2.440 2.192 2.726 . 0 0 "[ . 1]" 2
13 1 81 TYR QD 1 117 VAL QG 4.200 . 5.500 5.649 5.543 5.789 0.289 4 0 "[ . 1]" 2
14 1 88 ALA MB 1 95 VAL QG 4.200 . 5.500 5.163 4.502 5.489 . 0 0 "[ . 1]" 2
15 1 88 ALA MB 1 95 VAL HB 4.200 . 5.500 5.791 5.275 6.799 1.299 7 1 "[ . + 1]" 2
16 1 88 ALA MB 1 96 GLY QA 4.200 . 5.500 2.341 2.156 2.731 . 0 0 "[ . 1]" 2
17 1 111 ILE MD 1 146 LEU QD 4.200 . 5.500 2.826 2.136 4.294 . 0 0 "[ . 1]" 2
18 1 104 ALA MB 1 113 LEU QD 4.200 . 5.500 3.013 1.969 5.451 . 0 0 "[ . 1]" 2
19 1 121 VAL QG 1 132 PHE QB 4.200 . 5.500 5.540 4.742 5.752 0.252 5 0 "[ . 1]" 2
20 1 125 VAL QG 1 132 PHE QD 4.200 . 5.500 5.090 4.265 5.566 0.066 4 0 "[ . 1]" 2
21 1 122 VAL QG 1 136 ALA HA 2.800 . 3.500 3.290 2.772 3.721 0.221 5 0 "[ . 1]" 2
22 1 118 ALA MB 1 140 ILE HB 4.200 . 5.500 5.623 5.533 5.856 0.356 4 0 "[ . 1]" 2
23 1 118 ALA MB 1 140 ILE QG 4.200 . 5.500 4.700 3.318 5.206 . 0 0 "[ . 1]" 2
24 1 115 VAL QG 1 143 LEU QB 4.200 . 5.500 2.136 1.900 2.326 . 0 0 "[ . 1]" 2
25 1 115 VAL QG 1 143 LEU HG 4.200 . 5.500 4.015 3.748 4.227 . 0 0 "[ . 1]" 2
26 1 111 ILE MG 1 146 LEU QD 2.400 . 2.900 2.439 2.184 2.711 . 0 0 "[ . 1]" 2
27 1 43 VAL QG 1 147 ARG QB 4.200 . 5.500 4.213 2.384 4.843 . 0 0 "[ . 1]" 2
28 1 47 LEU QD 1 145 ILE MD 2.800 . 3.500 3.142 2.068 3.616 0.116 9 0 "[ . 1]" 2
29 1 39 VAL QG 1 151 VAL QG 4.200 . 5.500 3.325 1.988 4.379 . 0 0 "[ . 1]" 2
30 1 10 VAL HA 1 11 LEU HA 4.200 . 5.500 3.899 2.175 4.874 . 0 0 "[ . 1]" 2
31 1 11 LEU HG 1 15 HIS HA 4.200 . 5.500 5.967 5.152 7.065 1.565 4 3 "[ +. - *]" 2
32 1 11 LEU HG 1 12 ALA HA 2.800 . 3.500 3.838 2.919 4.579 1.079 5 4 "[ + ** -]" 2
33 1 11 LEU HA 1 12 ALA MB 4.200 . 5.500 3.734 2.134 5.056 . 0 0 "[ . 1]" 2
34 1 12 ALA MB 1 13 ARG HA 4.200 . 5.500 4.238 3.693 4.684 . 0 0 "[ . 1]" 2
35 1 12 ALA MB 1 15 HIS HA 4.200 . 5.500 4.730 3.465 5.679 0.179 2 0 "[ . 1]" 2
36 1 10 VAL HA 1 13 ARG QB 3.500 . 4.500 4.309 2.759 4.695 0.195 8 0 "[ . 1]" 2
37 1 10 VAL HB 1 13 ARG QD 4.200 . 5.500 5.184 4.243 5.803 0.303 1 0 "[ . 1]" 2
38 1 10 VAL HA 1 13 ARG QG 3.500 . 4.500 4.396 2.840 4.809 0.309 8 0 "[ . 1]" 2
39 1 14 THR HA 1 17 GLN QG 3.500 . 4.500 3.704 2.327 4.641 0.141 5 0 "[ . 1]" 2
40 1 11 LEU HA 1 14 THR MG 3.500 . 4.500 4.452 2.756 5.802 1.302 8 3 "[ * -+ 1]" 2
41 1 14 THR MG 1 15 HIS HA 4.200 . 5.500 3.948 3.342 5.454 . 0 0 "[ . 1]" 2
42 1 15 HIS HA 1 16 VAL HA 3.500 . 4.500 4.664 4.437 4.854 0.354 2 0 "[ . 1]" 2
43 1 16 VAL HB 1 17 GLN QG 3.500 . 4.500 4.683 4.486 5.010 0.510 9 1 "[ . +1]" 2
44 1 12 ALA HA 1 16 VAL QG 4.200 . 5.500 4.330 3.502 5.219 . 0 0 "[ . 1]" 2
45 1 13 ARG HA 1 16 VAL QG 3.500 . 4.500 2.251 1.875 3.341 . 0 0 "[ . 1]" 2
46 1 13 ARG QB 1 16 VAL QG 4.200 . 5.500 3.712 3.010 4.914 . 0 0 "[ . 1]" 2
47 1 15 HIS HA 1 16 VAL QG 4.200 . 5.500 4.557 4.179 5.022 . 0 0 "[ . 1]" 2
48 1 16 VAL QG 1 17 GLN QB 4.200 . 5.500 3.627 3.400 3.870 . 0 0 "[ . 1]" 2
49 1 16 VAL QG 1 17 GLN QG 4.200 . 5.500 2.326 2.018 2.653 . 0 0 "[ . 1]" 2
50 1 16 VAL QG 1 19 ARG HA 4.200 . 5.500 5.551 5.144 5.925 0.425 2 0 "[ . 1]" 2
51 1 19 ARG HA 1 22 ASN QB 3.500 . 4.500 2.788 2.415 3.330 . 0 0 "[ . 1]" 2
52 1 17 GLN QB 1 20 VAL QG 4.200 . 5.500 4.134 3.770 4.515 . 0 0 "[ . 1]" 2
53 1 20 VAL QG 1 21 TYR QB 4.200 . 5.500 4.031 3.495 4.340 . 0 0 "[ . 1]" 2
54 1 21 TYR HA 1 22 ASN HA 4.200 . 5.500 4.768 4.607 4.861 . 0 0 "[ . 1]" 2
55 1 22 ASN HA 1 25 GLU QG 3.500 . 4.500 3.807 2.557 4.654 0.154 4 0 "[ . 1]" 2
56 1 24 LEU QB 1 25 GLU QG 4.200 . 5.500 5.002 2.548 6.091 0.591 1 3 "[+ * - 1]" 2
57 1 21 TYR HA 1 24 LEU QD 3.500 . 4.500 2.688 2.281 3.313 . 0 0 "[ . 1]" 2
58 1 24 LEU QD 1 25 GLU HA 3.500 . 4.500 3.994 2.783 4.764 0.264 9 0 "[ . 1]" 2
59 1 21 TYR HA 1 24 LEU HG 3.500 . 4.500 2.341 2.066 2.672 . 0 0 "[ . 1]" 2
60 1 24 LEU HG 1 25 GLU HA 3.500 . 4.500 5.007 4.061 5.865 1.365 9 6 "[ ** .- *+*]" 2
61 1 24 LEU HA 1 25 GLU HA 3.500 . 4.500 4.587 4.526 4.666 0.166 5 0 "[ . 1]" 2
62 1 22 ASN HA 1 25 GLU QB 3.500 . 4.500 2.555 2.035 3.174 . 0 0 "[ . 1]" 2
63 1 89 GLY QA 1 90 CYS HA 3.500 . 4.500 4.295 4.164 4.520 0.020 1 0 "[ . 1]" 2
64 1 93 LYS HA 1 94 TYR HA 4.200 . 5.500 4.519 4.319 4.629 . 0 0 "[ . 1]" 2
65 1 93 LYS QD 1 94 TYR HA 4.200 . 5.500 5.391 4.000 5.819 0.319 3 0 "[ . 1]" 2
66 1 93 LYS HA 1 94 TYR QB 4.200 . 5.500 5.438 5.344 5.519 0.019 9 0 "[ . 1]" 2
67 1 94 TYR HA 1 97 LEU QD 4.200 . 5.500 2.467 2.095 3.018 . 0 0 "[ . 1]" 2
68 1 96 GLY QA 1 97 LEU QD 4.200 . 5.500 5.051 4.350 5.218 . 0 0 "[ . 1]" 2
69 1 97 LEU QD 1 98 TRP QB 4.200 . 5.500 3.029 2.453 4.721 . 0 0 "[ . 1]" 2
70 1 97 LEU QD 1 98 TRP HA 4.200 . 5.500 3.011 2.507 5.076 . 0 0 "[ . 1]" 2
71 1 97 LEU HA 1 100 ARG QD 3.500 . 4.500 4.265 2.733 5.031 0.531 5 2 "[ + -1]" 2
72 1 101 LEU QB 1 102 ARG QB 3.500 . 4.500 4.327 3.768 4.543 0.043 9 0 "[ . 1]" 2
73 1 100 ARG HA 1 101 LEU QD 4.200 . 5.500 5.621 5.336 5.792 0.292 1 0 "[ . 1]" 2
74 1 103 PHE HA 1 104 ALA HA 3.500 . 4.500 4.691 4.530 4.776 0.276 6 0 "[ . 1]" 2
75 1 103 PHE QD 1 104 ALA MB 4.200 . 5.500 4.824 3.170 5.521 0.021 9 0 "[ . 1]" 2
76 1 103 PHE HA 1 104 ALA MB 4.200 . 5.500 4.725 4.027 5.046 . 0 0 "[ . 1]" 2
77 1 121 VAL HA 1 124 CYS QB 3.500 . 4.500 2.361 2.223 2.588 . 0 0 "[ . 1]" 2
78 1 123 LEU QD 1 124 CYS HA 4.200 . 5.500 3.850 2.958 4.848 . 0 0 "[ . 1]" 2
79 1 123 LEU QD 1 124 CYS QB 4.200 . 5.500 4.281 3.796 4.835 . 0 0 "[ . 1]" 2
80 1 124 CYS QB 1 125 VAL QG 4.200 . 5.500 3.579 3.210 4.184 . 0 0 "[ . 1]" 2
81 1 125 VAL HA 1 126 GLY QA 4.200 . 5.500 4.287 4.163 4.352 . 0 0 "[ . 1]" 2
82 1 128 LYS HA 1 130 GLN QB 3.500 . 4.500 5.076 4.549 5.879 1.379 8 4 "[ - . *+*1]" 2
83 1 127 SER QB 1 128 LYS QD 4.200 . 5.500 4.771 3.637 5.576 0.076 1 0 "[ . 1]" 2
84 1 128 LYS HA 1 129 GLY QA 3.500 . 4.500 3.140 2.140 4.355 . 0 0 "[ . 1]" 2
85 1 130 GLN QB 1 131 VAL HA 4.200 . 5.500 4.396 3.542 5.130 . 0 0 "[ . 1]" 2
86 1 131 VAL HA 1 134 THR HB 2.800 . 3.500 3.797 3.002 4.201 0.701 5 3 "[ + -*]" 2
87 1 128 LYS QB 1 131 VAL QG 4.200 . 5.500 5.544 5.487 5.609 0.109 7 0 "[ . 1]" 2
88 1 130 GLN HA 1 131 VAL QG 4.200 . 5.500 4.377 3.689 4.603 . 0 0 "[ . 1]" 2
89 1 131 VAL QG 1 132 PHE HA 4.200 . 5.500 3.829 3.468 4.286 . 0 0 "[ . 1]" 2
90 1 128 LYS HA 1 131 VAL QG 4.200 . 5.500 5.203 4.741 5.588 0.088 8 0 "[ . 1]" 2
91 1 132 PHE QD 1 133 ALA HA 4.200 . 5.500 3.523 3.164 3.921 . 0 0 "[ . 1]" 2
92 1 132 PHE QD 1 136 ALA MB 4.200 . 5.500 3.594 2.934 4.490 . 0 0 "[ . 1]" 2
93 1 130 GLN HA 1 133 ALA MB 3.500 . 4.500 2.617 2.405 3.046 . 0 0 "[ . 1]" 2
94 1 131 VAL HA 1 134 THR MG 3.500 . 4.500 2.189 1.911 2.613 . 0 0 "[ . 1]" 2
95 1 134 THR MG 1 135 SER HA 4.200 . 5.500 3.525 3.159 5.503 0.003 5 0 "[ . 1]" 2
96 1 135 SER HA 1 138 ARG QB 3.500 . 4.500 3.963 3.192 4.494 . 0 0 "[ . 1]" 2
97 1 136 ALA HA 1 137 ILE HA 4.200 . 5.500 4.870 4.847 4.906 . 0 0 "[ . 1]" 2
98 1 134 THR HA 1 137 ILE HB 4.200 . 5.500 2.741 2.537 3.109 . 0 0 "[ . 1]" 2
99 1 137 ILE MD 1 138 ARG QG 3.500 . 4.500 3.503 2.947 4.689 0.189 6 0 "[ . 1]" 2
100 1 134 THR HA 1 137 ILE MG 4.200 . 5.500 3.875 3.663 4.173 . 0 0 "[ . 1]" 2
101 1 134 THR HB 1 137 ILE MG 4.200 . 5.500 5.750 5.562 5.831 0.331 8 0 "[ . 1]" 2
102 1 137 ILE MG 1 138 ARG HA 3.500 . 4.500 2.633 2.378 3.090 . 0 0 "[ . 1]" 2
103 1 137 ILE MG 1 138 ARG QG 2.800 . 3.500 2.153 2.034 2.428 . 0 0 "[ . 1]" 2
104 1 135 SER HA 1 138 ARG QG 4.200 . 5.500 5.210 4.562 5.596 0.096 3 0 "[ . 1]" 2
105 1 136 ALA HA 1 140 ILE QG 3.500 . 4.500 4.011 2.579 4.578 0.078 8 0 "[ . 1]" 2
106 1 141 ARG HA 1 144 GLN QB 3.500 . 4.500 2.682 2.096 3.022 . 0 0 "[ . 1]" 2
107 1 141 ARG QB 1 144 GLN QB 3.500 . 4.500 4.269 3.722 4.644 0.144 4 0 "[ . 1]" 2
108 1 141 ARG QB 1 144 GLN QG 4.200 . 5.500 4.798 4.049 5.582 0.082 9 0 "[ . 1]" 2
109 1 141 ARG QD 1 144 GLN QB 4.200 . 5.500 3.988 3.360 4.835 . 0 0 "[ . 1]" 2
110 1 137 ILE MG 1 141 ARG H 4.200 . 5.500 4.533 4.284 4.699 . 0 0 "[ . 1]" 2
111 1 139 GLY QA 1 142 PHE QB 4.200 . 5.500 2.528 2.154 2.901 . 0 0 "[ . 1]" 2
112 1 142 PHE QB 1 145 ILE QG 3.500 . 4.500 3.987 3.723 4.195 . 0 0 "[ . 1]" 2
113 1 142 PHE QD 1 145 ILE MD 3.500 . 4.500 3.213 2.157 4.171 . 0 0 "[ . 1]" 2
114 1 140 ILE HA 1 143 LEU QB 4.200 . 5.500 2.777 2.263 3.001 . 0 0 "[ . 1]" 2
115 1 144 GLN QB 1 145 ILE QG 3.500 . 4.500 4.109 3.878 4.385 . 0 0 "[ . 1]" 2
116 1 144 GLN QG 1 145 ILE QG 4.200 . 5.500 5.468 4.985 5.846 0.346 5 0 "[ . 1]" 2
117 1 145 ILE HA 1 148 MET QB 3.500 . 4.500 3.511 2.307 4.468 . 0 0 "[ . 1]" 2
118 1 145 ILE HA 1 148 MET QG 3.500 . 4.500 2.978 2.037 4.021 . 0 0 "[ . 1]" 2
119 1 142 PHE HA 1 145 ILE HB 4.200 . 5.500 4.954 4.586 5.336 . 0 0 "[ . 1]" 2
120 1 142 PHE HA 1 145 ILE MD 3.500 . 4.500 2.470 2.225 3.025 . 0 0 "[ . 1]" 2
121 1 142 PHE HA 1 145 ILE QG 3.500 . 4.500 2.299 2.040 2.478 . 0 0 "[ . 1]" 2
122 1 145 ILE QG 1 146 LEU HA 3.500 . 4.500 4.331 3.770 4.726 0.226 1 0 "[ . 1]" 2
123 1 146 LEU QB 1 147 ARG HA 3.500 . 4.500 4.117 3.769 4.556 0.056 8 0 "[ . 1]" 2
124 1 143 LEU HA 1 146 LEU QB 2.800 . 3.500 2.782 2.059 3.446 . 0 0 "[ . 1]" 2
125 1 143 LEU HA 1 146 LEU HG 3.500 . 4.500 3.465 2.209 4.606 0.106 7 0 "[ . 1]" 2
126 1 147 ARG HA 1 150 HIS QB 3.500 . 4.500 2.476 2.082 3.924 . 0 0 "[ . 1]" 2
127 1 144 GLN QG 1 147 ARG QB 4.200 . 5.500 4.699 3.358 5.539 0.039 1 0 "[ . 1]" 2
128 1 144 GLN QB 1 147 ARG QD 4.200 . 5.500 3.797 3.380 4.490 . 0 0 "[ . 1]" 2
129 1 144 GLN QG 1 147 ARG QD 4.200 . 5.500 3.611 2.861 4.155 . 0 0 "[ . 1]" 2
130 1 146 LEU HG 1 147 ARG QD 4.200 . 5.500 5.569 4.836 5.709 0.209 1 0 "[ . 1]" 2
131 1 144 GLN QG 1 147 ARG QG 3.500 . 4.500 4.769 4.522 5.491 0.991 3 1 "[ + . 1]" 2
132 1 146 LEU QB 1 147 ARG QG 3.500 . 4.500 3.294 2.778 4.564 0.064 7 0 "[ . 1]" 2
133 1 148 MET QG 1 149 LEU QD 4.200 . 5.500 3.874 2.190 4.863 . 0 0 "[ . 1]" 2
134 1 151 VAL QG 1 152 ASP HA 3.500 . 4.500 3.872 2.786 4.303 . 0 0 "[ . 1]" 2
135 1 151 VAL QG 1 154 GLN HA 4.200 . 5.500 5.369 4.192 5.779 0.279 9 0 "[ . 1]" 2
136 1 151 VAL QG 1 154 GLN QB 4.200 . 5.500 5.443 4.690 5.617 0.117 1 0 "[ . 1]" 2
137 1 153 ARG QB 1 154 GLN QG 4.200 . 5.500 4.387 3.342 5.051 . 0 0 "[ . 1]" 2
138 1 153 ARG QD 1 154 GLN QG 4.200 . 5.500 5.022 3.899 5.828 0.328 3 0 "[ . 1]" 2
139 1 153 ARG QG 1 154 GLN QG 4.200 . 5.500 3.811 2.346 5.218 . 0 0 "[ . 1]" 2
140 1 157 THR MG 1 158 TRP HA 4.200 . 5.500 5.310 3.641 5.864 0.364 6 0 "[ . 1]" 2
141 1 157 THR HA 1 158 TRP QB 3.500 . 4.500 4.476 4.247 4.593 0.093 10 0 "[ . 1]" 2
142 1 32 CYS HA 1 33 PHE HA 4.200 . 5.500 4.846 4.797 4.905 . 0 0 "[ . 1]" 2
143 1 31 LYS HA 1 34 VAL HB 4.200 . 5.500 4.566 3.117 5.649 0.149 2 0 "[ . 1]" 2
144 1 31 LYS HA 1 34 VAL QG 4.200 . 5.500 3.427 2.226 4.536 . 0 0 "[ . 1]" 2
145 1 32 CYS HA 1 35 TYR QD 4.200 . 5.500 4.892 3.675 5.592 0.092 1 0 "[ . 1]" 2
146 1 34 VAL HA 1 37 PHE QB 4.200 . 5.500 3.303 2.785 3.736 . 0 0 "[ . 1]" 2
147 1 35 TYR HA 1 38 ALA MB 4.200 . 5.500 2.545 2.221 2.872 . 0 0 "[ . 1]" 2
148 1 39 VAL QG 1 40 PHE HA 4.200 . 5.500 3.320 3.051 3.693 . 0 0 "[ . 1]" 2
149 1 38 ALA HA 1 41 LEU QD 4.200 . 5.500 3.167 2.415 4.312 . 0 0 "[ . 1]" 2
150 1 38 ALA HA 1 41 LEU HG 3.500 . 4.500 4.130 3.414 4.660 0.160 2 0 "[ . 1]" 2
151 1 43 VAL HA 1 46 CYS QB 4.200 . 5.500 2.429 2.068 3.072 . 0 0 "[ . 1]" 2
152 1 40 PHE HA 1 43 VAL QG 4.200 . 5.500 2.769 2.246 3.869 . 0 0 "[ . 1]" 2
153 1 43 VAL QG 1 46 CYS QB 4.200 . 5.500 3.407 2.908 4.091 . 0 0 "[ . 1]" 2
154 1 44 LEU HA 1 47 LEU QB 4.200 . 5.500 3.201 2.631 3.689 . 0 0 "[ . 1]" 2
155 1 45 VAL QG 1 46 CYS HA 4.200 . 5.500 3.361 3.060 3.676 . 0 0 "[ . 1]" 2
156 1 59 ALA HA 1 62 ALA MB 2.800 . 3.500 3.235 2.579 3.556 0.056 6 0 "[ . 1]" 2
157 1 83 VAL HA 1 86 TRP QB 4.200 . 5.500 2.321 2.121 2.514 . 0 0 "[ . 1]" 2
158 1 83 VAL QG 1 84 ARG HA 4.200 . 5.500 3.583 3.498 3.743 . 0 0 "[ . 1]" 2
159 1 116 VAL HA 1 119 SER HA 4.200 . 5.500 5.153 4.947 5.606 0.106 6 0 "[ . 1]" 2
160 1 116 VAL QG 1 120 MET QG 4.200 . 5.500 3.658 2.674 5.225 . 0 0 "[ . 1]" 2
161 1 117 VAL HB 1 118 ALA HA 3.500 . 4.500 4.639 4.554 4.731 0.231 4 0 "[ . 1]" 2
162 1 118 ALA HA 1 119 SER HA 4.200 . 5.500 4.864 4.793 4.935 . 0 0 "[ . 1]" 2
163 1 120 MET QG 1 121 VAL HA 4.200 . 5.500 4.816 3.484 5.848 0.348 1 0 "[ . 1]" 2
164 1 118 ALA HA 1 121 VAL QG 4.200 . 5.500 3.056 2.136 3.448 . 0 0 "[ . 1]" 2
165 1 118 ALA HA 1 122 VAL QG 4.200 . 5.500 3.326 2.939 3.906 . 0 0 "[ . 1]" 2
166 1 120 MET HA 1 123 LEU QB 4.200 . 5.500 3.361 2.241 4.249 . 0 0 "[ . 1]" 2
167 1 120 MET HA 1 123 LEU QD 4.200 . 5.500 2.776 2.237 3.454 . 0 0 "[ . 1]" 2
168 1 120 MET HA 1 123 LEU HG 3.500 . 4.500 3.342 2.238 4.494 . 0 0 "[ . 1]" 2
169 1 10 VAL HB 1 11 LEU QD 4.200 . 5.500 4.966 2.602 5.527 0.027 4 0 "[ . 1]" 2
170 1 10 VAL HB 1 14 THR MG 4.200 . 5.500 5.017 4.327 5.556 0.056 9 0 "[ . 1]" 2
171 1 10 VAL QG 1 14 THR MG 4.200 . 5.500 4.312 3.167 5.202 . 0 0 "[ . 1]" 2
172 1 10 VAL QG 1 11 LEU HA 4.200 . 5.500 3.986 2.765 4.638 . 0 0 "[ . 1]" 2
173 1 10 VAL QG 1 11 LEU QB 4.200 . 5.500 4.471 3.468 4.846 . 0 0 "[ . 1]" 2
174 1 11 LEU QB 1 12 ALA MB 4.200 . 5.500 3.829 3.255 5.116 . 0 0 "[ . 1]" 2
175 1 10 VAL QG 1 11 LEU QD 4.200 . 5.500 4.534 2.738 4.944 . 0 0 "[ . 1]" 2
176 1 11 LEU QD 1 12 ALA MB 4.200 . 5.500 3.096 2.095 4.851 . 0 0 "[ . 1]" 2
177 1 11 LEU QD 1 14 THR MG 4.200 . 5.500 3.853 2.229 5.051 . 0 0 "[ . 1]" 2
178 1 10 VAL QG 1 12 ALA MB 4.200 . 5.500 4.293 2.178 5.303 . 0 0 "[ . 1]" 2
179 1 12 ALA MB 1 14 THR MG 4.200 . 5.500 3.653 1.969 5.521 0.021 3 0 "[ . 1]" 2
180 1 10 VAL QG 1 13 ARG QB 4.200 . 5.500 2.503 2.023 3.392 . 0 0 "[ . 1]" 2
181 1 12 ALA MB 1 13 ARG QB 4.200 . 5.500 4.612 3.705 5.309 . 0 0 "[ . 1]" 2
182 1 13 ARG QB 1 14 THR MG 4.200 . 5.500 4.263 3.260 5.273 . 0 0 "[ . 1]" 2
183 1 10 VAL QG 1 13 ARG QD 4.200 . 5.500 3.648 2.928 4.303 . 0 0 "[ . 1]" 2
184 1 12 ALA MB 1 13 ARG QD 4.200 . 5.500 5.612 4.446 6.589 1.089 8 1 "[ . + 1]" 2
185 1 13 ARG QD 1 14 THR MG 4.200 . 5.500 4.874 3.532 5.817 0.317 6 0 "[ . 1]" 2
186 1 12 ALA MB 1 13 ARG QG 4.200 . 5.500 4.770 3.773 5.767 0.267 8 0 "[ . 1]" 2
187 1 13 ARG QG 1 14 THR MG 4.200 . 5.500 4.725 3.610 5.647 0.147 4 0 "[ . 1]" 2
188 1 12 ALA MB 1 15 HIS QB 4.200 . 5.500 2.661 1.854 3.868 . 0 0 "[ . 1]" 2
189 1 14 THR MG 1 15 HIS QB 4.200 . 5.500 3.720 2.902 5.126 . 0 0 "[ . 1]" 2
190 1 12 ALA MB 1 16 VAL HA 4.200 . 5.500 5.127 3.983 5.734 0.234 9 0 "[ . 1]" 2
191 1 12 ALA MB 1 16 VAL QG 4.200 . 5.500 3.364 2.555 4.396 . 0 0 "[ . 1]" 2
192 1 17 GLN QG 1 20 VAL QG 4.200 . 5.500 4.342 3.565 5.091 . 0 0 "[ . 1]" 2
193 1 19 ARG HA 1 20 VAL QG 4.200 . 5.500 4.999 4.860 5.087 . 0 0 "[ . 1]" 2
194 1 19 ARG QB 1 20 VAL QG 4.200 . 5.500 3.853 3.371 4.592 . 0 0 "[ . 1]" 2
195 1 19 ARG QG 1 20 VAL QG 4.200 . 5.500 4.321 2.843 5.511 0.011 9 0 "[ . 1]" 2
196 1 20 VAL QG 1 21 TYR HA 4.200 . 5.500 3.061 2.722 3.335 . 0 0 "[ . 1]" 2
197 1 20 VAL QG 1 23 PHE QB 4.200 . 5.500 3.696 3.544 3.829 . 0 0 "[ . 1]" 2
198 1 20 VAL QG 1 23 PHE QD 4.200 . 5.500 4.019 3.471 4.438 . 0 0 "[ . 1]" 2
199 1 23 PHE QD 1 24 LEU QD 4.200 . 5.500 3.280 2.133 4.643 . 0 0 "[ . 1]" 2
200 1 20 VAL QG 1 24 LEU HA 4.200 . 5.500 5.436 5.260 5.693 0.193 8 0 "[ . 1]" 2
201 1 20 VAL QG 1 24 LEU QB 4.200 . 5.500 4.095 3.330 5.100 . 0 0 "[ . 1]" 2
202 1 20 VAL QG 1 24 LEU QD 4.200 . 4.500 2.356 2.025 3.193 . 0 0 "[ . 1]" 2
203 1 20 VAL QG 1 24 LEU HG 4.200 . 5.500 3.518 2.897 4.226 . 0 0 "[ . 1]" 2
204 1 28 THR MG 1 31 LYS QB 4.200 . 5.500 3.192 2.202 4.070 . 0 0 "[ . 1]" 2
205 1 91 ARG QB 1 95 VAL QG 4.200 . 5.500 5.351 4.001 5.682 0.182 2 0 "[ . 1]" 2
206 1 93 LYS QB 1 95 VAL QG 4.200 . 5.500 5.478 4.985 5.682 0.182 1 0 "[ . 1]" 2
207 1 94 TYR HA 1 95 VAL QG 4.200 . 5.500 4.814 4.715 4.945 . 0 0 "[ . 1]" 2
208 1 94 TYR QB 1 97 LEU QD 4.200 . 5.500 3.545 2.978 4.084 . 0 0 "[ . 1]" 2
209 1 94 TYR QD 1 95 VAL QG 4.200 . 5.500 4.736 3.964 5.304 . 0 0 "[ . 1]" 2
210 1 98 TRP HA 1 101 LEU QD 4.200 . 5.500 3.161 2.561 3.640 . 0 0 "[ . 1]" 2
211 1 98 TRP QB 1 101 LEU QD 4.200 . 5.500 4.415 3.752 4.983 . 0 0 "[ . 1]" 2
212 1 98 TRP HE3 1 101 LEU QD 4.200 . 5.500 2.602 2.156 3.033 . 0 0 "[ . 1]" 2
213 1 100 ARG QD 1 101 LEU QD 4.200 . 5.500 5.221 4.655 5.635 0.135 1 0 "[ . 1]" 2
214 1 101 LEU HA 1 104 ALA MB 4.200 . 5.500 3.002 2.098 4.099 . 0 0 "[ . 1]" 2
215 1 101 LEU QD 1 102 ARG QB 4.200 . 5.500 5.051 4.046 5.535 0.035 9 0 "[ . 1]" 2
216 1 103 PHE QB 1 104 ALA MB 4.200 . 5.500 4.196 3.637 4.804 . 0 0 "[ . 1]" 2
217 1 101 LEU QD 1 104 ALA HA 4.200 . 5.500 5.443 5.065 5.712 0.212 10 0 "[ . 1]" 2
218 1 101 LEU QD 1 104 ALA MB 4.200 . 5.500 3.112 2.561 3.966 . 0 0 "[ . 1]" 2
219 1 104 ALA MB 1 105 ARG QB 4.200 . 5.500 4.734 3.993 5.160 . 0 0 "[ . 1]" 2
220 1 104 ALA MB 1 105 ARG HD2 4.200 . 5.500 5.724 5.490 5.927 0.427 7 0 "[ . 1]" 2
221 1 104 ALA MB 1 105 ARG QG 4.200 . 5.500 4.596 3.594 5.499 . 0 0 "[ . 1]" 2
222 1 121 VAL HA 1 125 VAL QG 4.200 . 5.500 3.948 2.802 4.812 . 0 0 "[ . 1]" 2
223 1 125 VAL QG 1 126 GLY QA 4.200 . 5.500 3.502 2.998 3.824 . 0 0 "[ . 1]" 2
224 1 125 VAL QG 1 128 LYS QB 4.200 . 5.500 5.345 5.044 5.491 . 0 0 "[ . 1]" 2
225 1 129 GLY QA 1 133 ALA MB 4.200 . 5.500 5.289 4.485 5.711 0.211 4 0 "[ . 1]" 2
226 1 130 GLN QB 1 133 ALA MB 4.200 . 5.500 3.792 2.787 4.598 . 0 0 "[ . 1]" 2
227 1 130 GLN QB 1 134 THR MG 4.200 . 5.500 4.709 3.830 5.537 0.037 1 0 "[ . 1]" 2
228 1 130 GLN QG 1 134 THR MG 4.200 . 5.500 3.803 2.601 5.525 0.025 2 0 "[ . 1]" 2
229 1 131 VAL HB 1 134 THR MG 4.200 . 5.500 4.298 3.237 5.020 . 0 0 "[ . 1]" 2
230 1 131 VAL QG 1 134 THR MG 4.200 . 5.500 3.035 2.776 3.491 . 0 0 "[ . 1]" 2
231 1 132 PHE QB 1 133 ALA MB 4.200 . 5.500 4.245 4.109 4.415 . 0 0 "[ . 1]" 2
232 1 131 VAL QG 1 132 PHE QD 4.200 . 5.500 5.069 4.195 5.463 . 0 0 "[ . 1]" 2
233 1 132 PHE QD 1 133 ALA MB 4.200 . 5.500 2.953 2.504 3.550 . 0 0 "[ . 1]" 2
234 1 133 ALA MB 1 134 THR MG 4.200 . 5.500 4.106 2.707 4.667 . 0 0 "[ . 1]" 2
235 1 134 THR HA 1 137 ILE MD 3.500 . 4.500 3.088 2.082 4.553 0.053 6 0 "[ . 1]" 2
236 1 131 VAL QG 1 134 THR HB 4.200 . 5.500 4.718 4.054 5.226 . 0 0 "[ . 1]" 2
237 1 136 ALA MB 1 137 ILE MD 4.200 . 5.500 4.130 2.262 4.529 . 0 0 "[ . 1]" 2
238 1 136 ALA MB 1 137 ILE HB 4.200 . 5.500 4.420 4.311 4.541 . 0 0 "[ . 1]" 2
239 1 133 ALA MB 1 137 ILE MD 4.200 . 5.500 2.890 2.192 3.585 . 0 0 "[ . 1]" 2
240 1 134 THR MG 1 137 ILE MD 4.200 . 5.500 5.025 4.336 5.547 0.047 6 0 "[ . 1]" 2
241 1 134 THR MG 1 137 ILE QG 4.200 . 5.500 5.778 5.546 5.962 0.462 2 0 "[ . 1]" 2
242 1 136 ALA MB 1 137 ILE QG 4.200 . 5.500 3.215 2.892 4.133 . 0 0 "[ . 1]" 2
243 1 133 ALA MB 1 137 ILE MG 4.200 . 5.500 5.088 4.563 5.535 0.035 5 0 "[ . 1]" 2
244 1 136 ALA MB 1 137 ILE MG 4.200 . 5.500 5.031 4.945 5.152 . 0 0 "[ . 1]" 2
245 1 137 ILE MD 1 138 ARG HA 3.500 . 4.500 5.358 5.002 5.633 1.133 1 10 [+******-**] 2
246 1 134 THR MG 1 138 ARG QD 4.200 . 5.500 4.165 2.922 5.223 . 0 0 "[ . 1]" 2
247 1 134 THR MG 1 138 ARG QG 4.200 . 5.500 4.420 3.843 4.676 . 0 0 "[ . 1]" 2
248 1 140 ILE HB 1 143 LEU QD 4.200 . 5.500 5.411 4.843 5.533 0.033 9 0 "[ . 1]" 2
249 1 140 ILE MD 1 143 LEU QD 3.500 . 4.500 3.187 2.256 4.547 0.047 4 0 "[ . 1]" 2
250 1 140 ILE MG 1 141 ARG HA 4.200 . 5.500 3.577 3.131 4.326 . 0 0 "[ . 1]" 2
251 1 140 ILE MD 1 141 ARG QB 4.200 . 5.500 5.430 4.761 5.765 0.265 9 0 "[ . 1]" 2
252 1 137 ILE MG 1 141 ARG QD 4.200 . 5.500 4.319 2.976 5.550 0.050 1 0 "[ . 1]" 2
253 1 140 ILE MG 1 141 ARG QD 4.200 . 5.500 4.272 3.235 4.947 . 0 0 "[ . 1]" 2
254 1 142 PHE QB 1 143 LEU QD 4.200 . 5.500 4.878 4.056 5.458 . 0 0 "[ . 1]" 2
255 1 142 PHE QB 1 145 ILE MD 4.200 . 5.500 3.863 3.332 4.291 . 0 0 "[ . 1]" 2
256 1 142 PHE QD 1 143 LEU QD 4.200 . 5.500 5.054 4.368 5.629 0.129 3 0 "[ . 1]" 2
257 1 143 LEU QD 1 146 LEU QD 4.200 . 5.500 2.247 2.042 2.620 . 0 0 "[ . 1]" 2
258 1 144 GLN HA 1 146 LEU QD 4.200 . 5.500 5.446 5.148 5.667 0.167 3 0 "[ . 1]" 2
259 1 144 GLN QB 1 145 ILE MD 4.200 . 5.500 4.292 2.921 5.361 . 0 0 "[ . 1]" 2
260 1 145 ILE HB 1 146 LEU QD 4.200 . 5.500 4.569 3.371 5.653 0.153 6 0 "[ . 1]" 2
261 1 145 ILE HB 1 149 LEU QD 4.200 . 5.500 4.900 3.739 5.689 0.189 8 0 "[ . 1]" 2
262 1 146 LEU HA 1 149 LEU QD 4.200 . 5.500 2.794 2.313 3.671 . 0 0 "[ . 1]" 2
263 1 145 ILE QG 1 146 LEU QB 4.200 . 5.500 4.172 3.263 4.863 . 0 0 "[ . 1]" 2
264 1 143 LEU QD 1 146 LEU QB 4.200 . 5.500 2.855 2.353 3.681 . 0 0 "[ . 1]" 2
265 1 145 ILE MD 1 146 LEU QB 4.200 . 5.500 5.384 4.557 5.871 0.371 4 0 "[ . 1]" 2
266 1 148 MET QB 1 149 LEU QD 4.200 . 5.500 2.910 2.229 3.324 . 0 0 "[ . 1]" 2
267 1 145 ILE MD 1 148 MET QG 4.200 . 5.500 5.348 4.960 5.553 0.053 9 0 "[ . 1]" 2
268 1 145 ILE QG 1 148 MET QG 4.200 . 5.500 5.334 4.654 5.629 0.129 4 0 "[ . 1]" 2
269 1 150 HIS HA 1 151 VAL QG 4.200 . 5.500 4.498 3.492 5.009 . 0 0 "[ . 1]" 2
270 1 149 LEU QD 1 150 HIS HD2 4.200 . 5.500 5.350 4.851 5.626 0.126 10 0 "[ . 1]" 2
271 1 151 VAL QG 1 153 ARG QG 4.200 . 5.500 3.528 2.077 4.235 . 0 0 "[ . 1]" 2
272 1 140 ILE MD 1 141 ARG HE 4.200 . 5.500 5.273 4.462 5.655 0.155 10 0 "[ . 1]" 2
273 1 30 TRP HE3 1 34 VAL QG 4.200 . 5.500 2.948 2.047 4.568 . 0 0 "[ . 1]" 2
274 1 31 LYS QG 1 34 VAL QG 4.200 . 5.500 4.475 3.352 5.554 0.054 8 0 "[ . 1]" 2
275 1 33 PHE QB 1 34 VAL QG 4.200 . 5.500 3.137 2.521 3.993 . 0 0 "[ . 1]" 2
276 1 33 PHE QD 1 34 VAL QG 4.200 . 5.500 2.702 2.086 3.437 . 0 0 "[ . 1]" 2
277 1 34 VAL HB 1 38 ALA MB 4.200 . 5.500 5.194 4.232 5.648 0.148 5 0 "[ . 1]" 2
278 1 34 VAL QG 1 38 ALA MB 4.200 . 5.500 3.357 2.902 4.072 . 0 0 "[ . 1]" 2
279 1 34 VAL QG 1 35 TYR HA 4.200 . 5.500 3.231 2.844 3.545 . 0 0 "[ . 1]" 2
280 1 34 VAL QG 1 35 TYR QD 4.200 . 5.500 4.041 2.305 4.998 . 0 0 "[ . 1]" 2
281 1 35 TYR QD 1 38 ALA MB 4.200 . 5.500 3.794 2.445 4.531 . 0 0 "[ . 1]" 2
282 1 36 HIS HA 1 39 VAL QG 4.200 . 5.500 2.439 2.017 2.958 . 0 0 "[ . 1]" 2
283 1 36 HIS HD2 1 39 VAL QG 4.200 . 5.500 3.323 2.258 4.189 . 0 0 "[ . 1]" 2
284 1 34 VAL QG 1 37 PHE QB 4.200 . 5.500 4.087 3.467 4.636 . 0 0 "[ . 1]" 2
285 1 37 PHE QD 1 38 ALA MB 4.200 . 5.500 5.193 4.340 5.678 0.178 9 0 "[ . 1]" 2
286 1 37 PHE QD 1 41 LEU QD 4.200 . 5.500 3.666 2.227 5.538 0.038 2 0 "[ . 1]" 2
287 1 38 ALA MB 1 39 VAL QG 4.200 . 5.500 3.443 3.159 4.213 . 0 0 "[ . 1]" 2
288 1 38 ALA MB 1 42 ILE MD 4.200 . 5.500 2.957 2.791 3.298 . 0 0 "[ . 1]" 2
289 1 39 VAL HA 1 42 ILE MD 4.200 . 5.500 3.543 2.596 4.874 . 0 0 "[ . 1]" 2
290 1 39 VAL HB 1 43 VAL QG 4.200 . 5.500 4.752 3.814 5.648 0.148 2 0 "[ . 1]" 2
291 1 40 PHE HA 1 41 LEU QD 4.200 . 5.500 5.407 5.124 5.763 0.263 9 0 "[ . 1]" 2
292 1 38 ALA MB 1 41 LEU QD 4.200 . 5.500 4.150 3.501 5.002 . 0 0 "[ . 1]" 2
293 1 42 ILE MD 1 43 VAL QG 4.200 . 5.500 5.426 4.986 5.625 0.125 8 0 "[ . 1]" 2
294 1 41 LEU QD 1 42 ILE QG 4.200 . 5.500 4.553 3.758 5.574 0.074 3 0 "[ . 1]" 2
295 1 38 ALA MB 1 42 ILE MG 4.200 . 5.500 5.202 4.967 5.504 0.004 3 0 "[ . 1]" 2
296 1 42 ILE MG 1 43 VAL QG 3.500 . 4.500 3.708 3.173 3.979 . 0 0 "[ . 1]" 2
297 1 43 VAL QG 1 44 LEU QD 4.200 . 5.500 3.863 2.888 4.513 . 0 0 "[ . 1]" 2
298 1 44 LEU HA 1 47 LEU QD 4.200 . 5.500 3.585 2.994 4.365 . 0 0 "[ . 1]" 2
299 1 44 LEU QB 1 47 LEU QD 4.200 . 5.500 4.893 4.284 5.447 . 0 0 "[ . 1]" 2
300 1 44 LEU QD 1 45 VAL QG 4.200 . 5.500 3.587 2.367 4.398 . 0 0 "[ . 1]" 2
301 1 44 LEU QD 1 47 LEU QD 4.200 . 5.500 4.220 3.488 5.524 0.024 9 0 "[ . 1]" 2
302 1 44 LEU QD 1 48 ILE MD 4.200 . 5.500 2.472 2.049 4.369 . 0 0 "[ . 1]" 2
303 1 47 LEU QD 1 51 VAL QG 4.200 . 5.500 4.408 4.033 4.698 . 0 0 "[ . 1]" 2
304 1 44 LEU QD 1 48 ILE QG 4.200 . 5.500 2.984 2.461 3.915 . 0 0 "[ . 1]" 2
305 1 45 VAL QG 1 49 PHE QB 4.200 . 5.500 3.450 2.913 4.018 . 0 0 "[ . 1]" 2
306 1 55 ILE MD 1 59 ALA MB 4.200 . 5.500 5.420 4.234 5.724 0.224 2 0 "[ . 1]" 2
307 1 54 THR MG 1 55 ILE MG 4.200 . 5.500 4.212 2.332 5.259 . 0 0 "[ . 1]" 2
308 1 55 ILE MG 1 59 ALA MB 4.200 . 5.500 4.234 3.417 5.670 0.170 4 0 "[ . 1]" 2
309 1 57 GLN HA 1 61 LEU QD 4.200 . 5.500 5.136 4.059 5.655 0.155 5 0 "[ . 1]" 2
310 1 57 GLN QB 1 59 ALA MB 4.200 . 5.500 5.545 5.410 5.672 0.172 1 0 "[ . 1]" 2
311 1 55 ILE MD 1 58 TYR QD 4.200 . 5.500 3.639 2.334 5.515 0.015 8 0 "[ . 1]" 2
312 1 55 ILE MG 1 58 TYR QD 4.200 . 5.500 4.240 2.332 5.301 . 0 0 "[ . 1]" 2
313 1 59 ALA MB 1 63 THR MG 4.200 . 5.500 2.921 2.133 4.535 . 0 0 "[ . 1]" 2
314 1 60 ALA MB 1 61 LEU QD 4.200 . 5.500 3.796 2.484 4.671 . 0 0 "[ . 1]" 2
315 1 61 LEU QD 1 62 ALA MB 4.200 . 5.500 3.912 2.310 4.549 . 0 0 "[ . 1]" 2
316 1 60 ALA MB 1 61 LEU HG 4.200 . 5.500 4.375 3.786 5.668 0.168 5 0 "[ . 1]" 2
317 1 61 LEU QD 1 63 THR MG 4.200 . 5.500 5.574 5.491 5.667 0.167 1 0 "[ . 1]" 2
318 1 62 ALA MB 1 63 THR MG 4.200 . 5.500 2.317 1.964 4.059 . 0 0 "[ . 1]" 2
319 1 62 ALA MB 1 64 GLY QA 4.200 . 5.500 6.012 5.849 6.201 0.701 6 5 "[* **.+- 1]" 2
320 1 72 VAL QG 1 73 LEU QD 4.200 . 5.500 3.690 3.459 3.916 . 0 0 "[ . 1]" 2
321 1 81 TYR QD 1 85 LEU QD 4.200 . 5.500 3.053 2.794 3.253 . 0 0 "[ . 1]" 2
322 1 83 VAL QG 1 84 ARG QB 4.200 . 5.500 4.444 4.096 4.630 . 0 0 "[ . 1]" 2
323 1 85 LEU QB 1 88 ALA MB 4.200 . 5.500 3.892 3.720 4.145 . 0 0 "[ . 1]" 2
324 1 85 LEU QD 1 88 ALA MB 4.200 . 5.500 3.668 3.388 4.006 . 0 0 "[ . 1]" 2
325 1 88 ALA MB 1 89 GLY QA 4.200 . 5.500 3.671 3.477 3.940 . 0 0 "[ . 1]" 2
326 1 108 ILE MG 1 111 ILE MG 4.200 . 5.500 4.294 3.622 5.551 0.051 2 0 "[ . 1]" 2
327 1 113 LEU QD 1 116 VAL QG 4.200 . 5.500 2.882 2.471 3.666 . 0 0 "[ . 1]" 2
328 1 115 VAL HA 1 118 ALA MB 4.200 . 5.500 2.291 1.987 2.650 . 0 0 "[ . 1]" 2
329 1 117 VAL QG 1 118 ALA MB 4.200 . 5.500 4.040 3.389 4.352 . 0 0 "[ . 1]" 2
330 1 115 VAL QG 1 118 ALA MB 4.200 . 5.500 3.026 2.445 3.454 . 0 0 "[ . 1]" 2
331 1 118 ALA MB 1 121 VAL QG 4.200 . 5.500 3.985 3.500 4.331 . 0 0 "[ . 1]" 2
332 1 118 ALA MB 1 122 VAL QG 4.200 . 5.500 3.002 2.834 3.243 . 0 0 "[ . 1]" 2
333 1 117 VAL QG 1 120 MET QB 4.200 . 5.500 3.617 2.980 4.579 . 0 0 "[ . 1]" 2
334 1 118 ALA MB 1 121 VAL HB 4.200 . 5.500 4.181 3.770 5.557 0.057 6 0 "[ . 1]" 2
335 1 118 ALA MB 1 122 VAL HB 4.200 . 5.500 5.444 4.541 5.733 0.233 2 0 "[ . 1]" 2
336 1 121 VAL QG 1 124 CYS QB 4.200 . 5.500 3.420 3.163 3.607 . 0 0 "[ . 1]" 2
337 1 10 VAL HA 1 11 LEU H 2.800 . 3.500 2.713 2.073 3.637 0.137 1 0 "[ . 1]" 2
338 1 10 VAL HA 1 13 ARG H 3.500 . 4.500 4.068 2.976 4.643 0.143 7 0 "[ . 1]" 2
339 1 10 VAL HB 1 11 LEU H 2.800 . 3.500 3.606 3.034 3.857 0.357 9 0 "[ . 1]" 2
340 1 10 VAL QG 1 12 ALA H 4.200 . 5.500 3.778 2.640 5.191 . 0 0 "[ . 1]" 2
341 1 11 LEU QB 1 12 ALA H 3.500 . 4.500 3.554 2.207 4.280 . 0 0 "[ . 1]" 2
342 1 11 LEU HG 1 12 ALA H 3.500 . 4.500 3.309 1.796 4.433 0.004 6 0 "[ . 1]" 2
343 1 12 ALA MB 1 13 ARG H 3.500 . 4.500 3.144 1.864 3.784 . 0 0 "[ . 1]" 2
344 1 12 ALA MB 1 14 THR H 4.200 . 5.500 3.838 2.037 4.683 . 0 0 "[ . 1]" 2
345 1 12 ALA H 1 13 ARG H 2.800 . 3.500 3.318 2.972 3.737 0.237 9 0 "[ . 1]" 2
346 1 12 ALA H 1 14 THR H 3.500 . 4.500 4.578 3.853 5.552 1.052 8 1 "[ . + 1]" 2
347 1 13 ARG QB 1 14 THR H 2.800 . 3.500 3.107 2.516 3.646 0.146 5 0 "[ . 1]" 2
348 1 13 ARG QD 1 17 GLN H 4.200 . 5.500 5.504 4.201 6.001 0.501 3 1 "[ + . 1]" 2
349 1 13 ARG QG 1 14 THR H 3.500 . 4.500 3.645 2.280 4.667 0.167 7 0 "[ . 1]" 2
350 1 13 ARG H 1 14 THR H 2.400 . 2.900 2.756 2.472 3.347 0.447 1 0 "[ . 1]" 2
351 1 14 THR HA 1 17 GLN H 3.500 . 4.500 3.909 3.044 4.698 0.198 7 0 "[ . 1]" 2
352 1 14 THR HB 1 15 HIS H 3.500 . 4.500 4.144 3.671 4.399 . 0 0 "[ . 1]" 2
353 1 14 THR MG 1 15 HIS H 4.200 . 5.500 2.539 1.725 4.014 0.075 7 0 "[ . 1]" 2
354 1 14 THR H 1 15 HIS H 2.800 . 3.500 2.602 2.005 3.387 . 0 0 "[ . 1]" 2
355 1 14 THR H 1 15 HIS HA 4.200 . 5.500 5.184 4.671 5.598 0.098 7 0 "[ . 1]" 2
356 1 15 HIS HA 1 16 VAL H 2.800 . 3.500 3.409 2.361 3.598 0.098 9 0 "[ . 1]" 2
357 1 15 HIS HA 1 17 GLN H 3.500 . 4.500 4.403 3.587 4.914 0.414 3 0 "[ . 1]" 2
358 1 15 HIS HA 1 18 GLY H 4.200 . 5.500 3.337 2.808 3.975 . 0 0 "[ . 1]" 2
359 1 15 HIS QB 1 16 VAL H 3.500 . 4.500 2.862 2.355 3.876 . 0 0 "[ . 1]" 2
360 1 15 HIS H 1 16 VAL H 2.800 . 3.500 2.673 2.248 3.551 0.051 1 0 "[ . 1]" 2
361 1 15 HIS H 1 18 GLY H 4.200 . 5.500 4.606 4.195 5.165 . 0 0 "[ . 1]" 2
362 1 15 HIS H 1 16 VAL HB 4.200 . 5.500 5.275 4.561 5.937 0.437 3 0 "[ . 1]" 2
363 1 14 THR H 1 16 VAL QG 4.200 . 5.500 4.094 3.151 4.569 . 0 0 "[ . 1]" 2
364 1 15 HIS H 1 16 VAL QG 4.200 . 5.500 3.766 3.074 4.559 . 0 0 "[ . 1]" 2
365 1 16 VAL QG 1 17 GLN H 3.500 . 4.500 2.146 1.696 3.050 0.104 7 0 "[ . 1]" 2
366 1 16 VAL H 1 17 GLN H 2.400 . 2.900 2.626 1.910 2.845 . 0 0 "[ . 1]" 2
367 1 17 GLN HA 1 18 GLY H 2.800 . 3.500 3.559 3.490 3.626 0.126 1 0 "[ . 1]" 2
368 1 17 GLN HA 1 20 VAL H 2.800 . 3.500 3.216 2.925 3.549 0.049 10 0 "[ . 1]" 2
369 1 17 GLN QB 1 18 GLY H 3.500 . 3.500 2.626 2.298 2.927 . 0 0 "[ . 1]" 2
370 1 16 VAL H 1 17 GLN QG 4.200 . 5.500 4.236 3.840 4.656 . 0 0 "[ . 1]" 2
371 1 17 GLN QG 1 18 GLY H 3.500 . 4.500 4.081 3.874 4.350 . 0 0 "[ . 1]" 2
372 1 17 GLN H 1 18 GLY H 2.800 . 3.500 2.619 1.948 2.912 . 0 0 "[ . 1]" 2
373 1 18 GLY QA 1 19 ARG H 3.500 . 4.500 2.753 2.682 2.848 . 0 0 "[ . 1]" 2
374 1 18 GLY H 1 19 ARG H 2.800 . 3.500 2.693 2.226 2.877 . 0 0 "[ . 1]" 2
375 1 18 GLY H 1 19 ARG HA 4.200 . 5.500 5.316 4.916 5.500 0.000 1 0 "[ . 1]" 2
376 1 16 VAL H 1 19 ARG QB 4.200 . 5.500 4.774 3.143 5.621 0.121 2 0 "[ . 1]" 2
377 1 19 ARG QB 1 20 VAL H 3.500 . 4.500 2.888 2.481 3.611 . 0 0 "[ . 1]" 2
378 1 18 GLY H 1 19 ARG QG 4.200 . 5.500 5.072 4.393 5.919 0.419 3 0 "[ . 1]" 2
379 1 19 ARG QG 1 20 VAL H 3.500 . 4.500 3.616 2.505 4.320 . 0 0 "[ . 1]" 2
380 1 20 VAL HA 1 21 TYR H 2.800 . 3.500 3.544 3.511 3.573 0.073 5 0 "[ . 1]" 2
381 1 20 VAL HA 1 23 PHE H 3.500 . 4.500 3.608 3.376 3.772 . 0 0 "[ . 1]" 2
382 1 20 VAL HA 1 24 LEU H 4.200 . 5.500 4.185 3.871 4.750 . 0 0 "[ . 1]" 2
383 1 19 ARG H 1 20 VAL HB 3.500 . 4.500 4.641 4.401 4.781 0.281 6 0 "[ . 1]" 2
384 1 21 TYR HA 1 22 ASN H 2.800 . 3.500 3.578 3.365 3.641 0.141 9 0 "[ . 1]" 2
385 1 21 TYR HA 1 23 PHE H 3.500 . 4.500 4.045 3.585 4.329 . 0 0 "[ . 1]" 2
386 1 20 VAL H 1 21 TYR QB 4.200 . 5.500 4.730 4.489 4.882 . 0 0 "[ . 1]" 2
387 1 21 TYR QB 1 22 ASN H 2.800 . 3.500 2.621 2.222 3.429 . 0 0 "[ . 1]" 2
388 1 21 TYR QB 1 23 PHE H 4.200 . 5.500 4.641 4.484 5.069 . 0 0 "[ . 1]" 2
389 1 21 TYR QB 1 25 GLU H 4.200 . 5.500 4.975 4.488 5.598 0.098 1 0 "[ . 1]" 2
390 1 21 TYR H 1 22 ASN H 2.800 . 3.500 3.043 2.935 3.161 . 0 0 "[ . 1]" 2
391 1 22 ASN HA 1 25 GLU H 3.500 . 4.500 3.358 2.937 3.839 . 0 0 "[ . 1]" 2
392 1 22 ASN QB 1 23 PHE H 3.500 . 4.500 3.019 2.655 3.134 . 0 0 "[ . 1]" 2
393 1 22 ASN QB 1 25 GLU H 4.200 . 5.500 4.925 4.650 5.168 . 0 0 "[ . 1]" 2
394 1 22 ASN H 1 23 PHE H 2.800 . 3.500 2.819 2.010 3.089 . 0 0 "[ . 1]" 2
395 1 22 ASN H 1 24 LEU H 3.500 . 4.500 4.458 3.825 4.628 0.128 4 0 "[ . 1]" 2
396 1 23 PHE HA 1 24 LEU H 3.500 . 4.500 3.589 3.570 3.628 . 0 0 "[ . 1]" 2
397 1 20 VAL H 1 23 PHE QB 4.200 . 5.500 4.752 4.550 5.034 . 0 0 "[ . 1]" 2
398 1 22 ASN H 1 23 PHE QB 4.200 . 5.500 4.556 3.772 4.877 . 0 0 "[ . 1]" 2
399 1 23 PHE QB 1 24 LEU H 3.500 . 4.500 2.706 2.478 3.189 . 0 0 "[ . 1]" 2
400 1 23 PHE QB 1 25 GLU H 4.200 . 5.500 4.696 4.452 4.911 . 0 0 "[ . 1]" 2
401 1 23 PHE H 1 26 ARG H 3.500 . 4.500 4.699 4.575 4.848 0.348 8 0 "[ . 1]" 2
402 1 23 PHE H 1 24 LEU HA 4.200 . 5.500 5.166 5.085 5.341 . 0 0 "[ . 1]" 2
403 1 23 PHE H 1 24 LEU QB 3.500 . 4.500 4.643 4.525 4.758 0.258 2 0 "[ . 1]" 2
404 1 24 LEU QB 1 25 GLU H 3.500 . 4.500 2.925 2.347 3.757 . 0 0 "[ . 1]" 2
405 1 24 LEU QD 1 25 GLU H 4.200 . 5.500 3.646 3.248 3.995 . 0 0 "[ . 1]" 2
406 1 23 PHE H 1 24 LEU HG 3.500 . 4.500 4.276 3.741 4.658 0.158 1 0 "[ . 1]" 2
407 1 24 LEU HG 1 25 GLU H 3.500 . 4.500 3.306 2.647 4.071 . 0 0 "[ . 1]" 2
408 1 24 LEU H 1 25 GLU H 2.800 . 3.500 2.632 2.579 2.701 . 0 0 "[ . 1]" 2
409 1 24 LEU H 1 25 GLU HA 4.200 . 5.500 5.169 5.039 5.324 . 0 0 "[ . 1]" 2
410 1 25 GLU HA 1 26 ARG H 2.800 . 3.500 3.529 3.447 3.567 0.067 7 0 "[ . 1]" 2
411 1 24 LEU H 1 25 GLU QB 3.500 . 4.500 4.320 4.032 4.674 0.174 8 0 "[ . 1]" 2
412 1 25 GLU QB 1 26 ARG H 3.500 . 4.500 2.750 2.483 3.331 . 0 0 "[ . 1]" 2
413 1 25 GLU QG 1 26 ARG H 4.200 . 5.500 3.948 3.587 4.275 . 0 0 "[ . 1]" 2
414 1 23 PHE H 1 25 GLU H 3.500 . 4.500 3.738 3.467 3.907 . 0 0 "[ . 1]" 2
415 1 25 GLU H 1 26 ARG H 2.400 . 2.900 2.575 2.220 2.789 . 0 0 "[ . 1]" 2
416 1 27 PRO QG 1 28 THR H 4.200 . 5.500 4.648 4.371 4.811 . 0 0 "[ . 1]" 2
417 1 28 THR HA 1 29 GLY H 3.500 . 4.500 2.407 2.213 2.579 . 0 0 "[ . 1]" 2
418 1 28 THR MG 1 29 GLY H 4.200 . 5.500 3.773 3.433 4.082 . 0 0 "[ . 1]" 2
419 1 28 THR H 1 29 GLY QA 4.200 . 5.500 4.636 4.433 4.771 . 0 0 "[ . 1]" 2
420 1 28 THR H 1 29 GLY H 3.500 . 4.500 4.301 4.185 4.403 . 0 0 "[ . 1]" 2
421 1 28 THR H 1 30 TRP HA 4.200 . 5.500 6.383 6.020 6.852 1.352 4 10 [***+-*****] 2
422 1 29 GLY H 1 30 TRP H . . 3.500 2.851 2.718 3.136 . 0 0 "[ . 1]" 2
423 1 28 THR H 1 31 LYS QB 4.200 . 5.500 2.222 1.763 2.847 0.037 3 0 "[ . 1]" 2
424 1 89 GLY QA 1 90 CYS H 2.800 . 3.500 2.756 2.096 3.020 . 0 0 "[ . 1]" 2
425 1 89 GLY H 1 90 CYS H 2.800 . 2.900 2.603 2.111 3.205 0.305 7 0 "[ . 1]" 2
426 1 89 GLY H 1 91 ARG H 3.500 . 4.500 4.763 4.557 4.913 0.413 7 0 "[ . 1]" 2
427 1 90 CYS QB 1 92 SER H 4.200 . 5.500 4.751 4.161 5.416 . 0 0 "[ . 1]" 2
428 1 91 ARG QB 1 92 SER H 4.200 . 5.500 2.948 2.267 4.018 . 0 0 "[ . 1]" 2
429 1 91 ARG QD 1 92 SER H 4.200 . 5.500 3.169 2.843 3.812 . 0 0 "[ . 1]" 2
430 1 91 ARG QD 1 95 VAL H 4.200 . 5.500 5.633 5.109 5.887 0.387 4 0 "[ . 1]" 2
431 1 92 SER HA 1 93 LYS H 4.200 . 5.500 2.690 2.194 3.330 . 0 0 "[ . 1]" 2
432 1 92 SER HA 1 94 TYR H 3.500 . 4.500 3.917 3.565 4.623 0.123 9 0 "[ . 1]" 2
433 1 92 SER H 1 93 LYS H 3.500 . 4.500 3.339 2.286 4.124 . 0 0 "[ . 1]" 2
434 1 93 LYS HA 1 94 TYR H 3.500 . 4.500 3.472 3.204 3.560 . 0 0 "[ . 1]" 2
435 1 89 GLY H 1 93 LYS QB 4.200 . 5.500 5.464 4.258 5.773 0.273 1 0 "[ . 1]" 2
436 1 93 LYS QB 1 94 TYR H 4.200 . 5.500 3.429 2.471 3.875 . 0 0 "[ . 1]" 2
437 1 93 LYS QD 1 94 TYR H 3.500 . 4.500 3.794 2.280 4.531 0.031 10 0 "[ . 1]" 2
438 1 93 LYS QG 1 94 TYR H 4.200 . 5.500 2.993 1.950 4.342 . 0 0 "[ . 1]" 2
439 1 93 LYS H 1 94 TYR H 3.500 . 4.500 3.062 2.854 3.785 . 0 0 "[ . 1]" 2
440 1 94 TYR HA 1 95 VAL H 3.500 . 4.500 3.571 3.497 3.633 . 0 0 "[ . 1]" 2
441 1 94 TYR HA 1 97 LEU H 3.500 . 4.500 3.712 3.201 4.081 . 0 0 "[ . 1]" 2
442 1 93 LYS H 1 94 TYR QB 4.200 . 5.500 5.271 5.108 5.771 0.271 4 0 "[ . 1]" 2
443 1 94 TYR QB 1 95 VAL H 3.500 . 4.500 2.846 2.575 3.035 . 0 0 "[ . 1]" 2
444 1 94 TYR QD 1 95 VAL H 4.200 . 5.500 4.470 3.976 4.824 . 0 0 "[ . 1]" 2
445 1 92 SER H 1 94 TYR H 4.200 . 5.500 5.512 4.929 5.795 0.295 6 0 "[ . 1]" 2
446 1 94 TYR H 1 95 VAL HB 4.200 . 5.500 4.553 3.969 5.252 . 0 0 "[ . 1]" 2
447 1 95 VAL HB 1 96 GLY H 3.500 . 4.500 2.257 1.785 3.668 0.015 9 0 "[ . 1]" 2
448 1 92 SER H 1 95 VAL QG 4.200 . 5.500 4.719 4.077 5.250 . 0 0 "[ . 1]" 2
449 1 95 VAL QG 1 96 GLY H 3.500 . 4.500 2.728 1.735 3.019 0.065 7 0 "[ . 1]" 2
450 1 94 TYR H 1 95 VAL H 2.800 . 3.500 2.125 1.944 2.353 . 0 0 "[ . 1]" 2
451 1 95 VAL H 1 96 GLY H 3.500 . 4.500 3.031 2.626 3.325 . 0 0 "[ . 1]" 2
452 1 95 VAL H 1 97 LEU H 4.200 . 5.500 3.959 3.595 4.313 . 0 0 "[ . 1]" 2
453 1 96 GLY QA 1 97 LEU H 2.800 . 3.500 2.800 2.505 2.954 . 0 0 "[ . 1]" 2
454 1 94 TYR H 1 96 GLY H 4.200 . 5.500 4.374 3.954 5.120 . 0 0 "[ . 1]" 2
455 1 96 GLY H 1 97 LEU H 2.800 . 3.500 2.835 2.497 3.228 . 0 0 "[ . 1]" 2
456 1 97 LEU HA 1 98 TRP H 3.500 . 4.500 3.594 3.524 3.651 . 0 0 "[ . 1]" 2
457 1 97 LEU QB 1 98 TRP H 3.500 . 4.500 2.668 2.423 3.023 . 0 0 "[ . 1]" 2
458 1 97 LEU QD 1 98 TRP H 4.200 . 5.500 2.918 2.538 4.026 . 0 0 "[ . 1]" 2
459 1 97 LEU HG 1 98 TRP H 3.500 . 4.500 4.269 3.892 4.542 0.042 1 0 "[ . 1]" 2
460 1 97 LEU H 1 98 TRP H 2.800 . 3.500 2.809 2.698 2.926 . 0 0 "[ . 1]" 2
461 1 98 TRP HA 1 99 GLY H 3.500 . 4.500 3.564 3.528 3.590 . 0 0 "[ . 1]" 2
462 1 98 TRP HA 1 100 ARG H 3.500 . 4.500 4.411 4.069 4.682 0.182 3 0 "[ . 1]" 2
463 1 98 TRP HA 1 101 LEU H 4.200 . 5.500 3.358 3.083 3.715 . 0 0 "[ . 1]" 2
464 1 97 LEU H 1 98 TRP QB 4.200 . 5.500 4.591 4.369 4.768 . 0 0 "[ . 1]" 2
465 1 98 TRP QB 1 99 GLY H 3.500 . 4.500 2.708 2.504 3.434 . 0 0 "[ . 1]" 2
466 1 98 TRP HD1 1 99 GLY H 4.200 . 5.500 4.349 3.579 5.098 . 0 0 "[ . 1]" 2
467 1 98 TRP HE3 1 99 GLY H 4.200 . 5.500 5.552 5.137 5.739 0.239 4 0 "[ . 1]" 2
468 1 98 TRP H 1 99 GLY H 2.800 . 3.500 2.675 2.339 2.767 . 0 0 "[ . 1]" 2
469 1 99 GLY QA 1 100 ARG H 2.800 . 3.500 2.666 2.548 2.825 . 0 0 "[ . 1]" 2
470 1 97 LEU H 1 99 GLY H 4.200 . 5.500 4.252 3.873 4.772 . 0 0 "[ . 1]" 2
471 1 99 GLY H 1 100 ARG H 2.800 . 3.500 2.714 2.149 3.192 . 0 0 "[ . 1]" 2
472 1 99 GLY H 1 101 LEU H 3.500 . 4.500 4.142 3.489 4.365 . 0 0 "[ . 1]" 2
473 1 99 GLY H 1 100 ARG HA 4.200 . 5.500 5.400 4.871 5.706 0.206 1 0 "[ . 1]" 2
474 1 100 ARG HA 1 101 LEU H 3.500 . 4.500 3.527 3.360 3.613 . 0 0 "[ . 1]" 2
475 1 99 GLY H 1 100 ARG QB 4.200 . 5.500 4.538 3.813 5.407 . 0 0 "[ . 1]" 2
476 1 100 ARG QB 1 101 LEU H 3.500 . 4.500 3.102 2.585 3.810 . 0 0 "[ . 1]" 2
477 1 99 GLY H 1 100 ARG QG 4.200 . 5.500 5.548 4.742 6.247 0.747 9 1 "[ . +1]" 2
478 1 100 ARG H 1 101 LEU HA 4.200 . 5.500 5.304 4.970 5.510 0.010 10 0 "[ . 1]" 2
479 1 101 LEU HA 1 102 ARG H 2.800 . 3.500 3.515 3.278 3.600 0.100 7 0 "[ . 1]" 2
480 1 100 ARG H 1 101 LEU QD 4.200 . 5.500 5.356 4.815 5.601 0.101 3 0 "[ . 1]" 2
481 1 101 LEU QD 1 102 ARG H 3.500 . 4.500 4.052 3.243 4.474 . 0 0 "[ . 1]" 2
482 1 101 LEU H 1 102 ARG QD 4.200 . 5.500 5.597 5.416 5.778 0.278 1 0 "[ . 1]" 2
483 1 101 LEU H 1 102 ARG H 2.400 . 2.900 2.616 2.258 2.856 . 0 0 "[ . 1]" 2
484 1 103 PHE HA 1 104 ALA H 2.800 . 3.500 3.169 2.296 3.538 0.038 8 0 "[ . 1]" 2
485 1 103 PHE HA 1 105 ARG H 4.200 . 5.500 3.966 2.997 5.106 . 0 0 "[ . 1]" 2
486 1 103 PHE QB 1 104 ALA H 3.500 . 4.500 3.372 2.605 3.991 . 0 0 "[ . 1]" 2
487 1 100 ARG H 1 103 PHE QB 4.200 . 5.500 4.771 4.496 5.607 0.107 5 0 "[ . 1]" 2
488 1 103 PHE QD 1 104 ALA H 4.200 . 5.500 4.413 3.398 4.944 . 0 0 "[ . 1]" 2
489 1 103 PHE H 1 104 ALA H 2.800 . 3.500 2.927 2.483 3.615 0.115 10 0 "[ . 1]" 2
490 1 104 ALA MB 1 105 ARG H 3.500 . 4.500 3.673 3.577 3.747 . 0 0 "[ . 1]" 2
491 1 104 ALA H 1 105 ARG H 2.800 . 3.500 3.481 3.013 3.884 0.384 4 0 "[ . 1]" 2
492 1 104 ALA H 1 105 ARG QB 4.200 . 5.500 4.495 2.911 5.585 0.085 3 0 "[ . 1]" 2
493 1 104 ALA H 1 105 ARG QG 4.200 . 5.500 4.310 2.407 5.642 0.142 4 0 "[ . 1]" 2
494 1 105 ARG H 1 106 LYS H 2.800 . 3.500 2.442 1.989 2.776 . 0 0 "[ . 1]" 2
495 1 121 VAL HA 1 124 CYS H 3.500 . 4.500 3.543 3.273 3.766 . 0 0 "[ . 1]" 2
496 1 121 VAL HA 1 125 VAL H 3.500 . 4.500 3.856 2.831 4.129 . 0 0 "[ . 1]" 2
497 1 123 LEU QB 1 124 CYS H 4.200 . 5.500 3.038 2.309 3.785 . 0 0 "[ . 1]" 2
498 1 123 LEU QD 1 124 CYS H 4.200 . 5.500 3.635 3.078 4.184 . 0 0 "[ . 1]" 2
499 1 123 LEU HG 1 124 CYS H 4.200 . 5.500 3.799 2.724 5.001 . 0 0 "[ . 1]" 2
500 1 123 LEU H 1 124 CYS H 3.500 . 4.500 2.564 2.484 2.710 . 0 0 "[ . 1]" 2
501 1 124 CYS QB 1 125 VAL H 3.500 . 4.500 2.620 2.366 2.867 . 0 0 "[ . 1]" 2
502 1 124 CYS H 1 125 VAL H 2.800 . 3.500 2.734 2.532 3.091 . 0 0 "[ . 1]" 2
503 1 124 CYS H 1 125 VAL HB 4.200 . 5.500 4.691 4.371 5.372 . 0 0 "[ . 1]" 2
504 1 125 VAL HB 1 126 GLY H 3.500 . 4.500 3.186 2.671 4.281 . 0 0 "[ . 1]" 2
505 1 124 CYS H 1 125 VAL QG 4.200 . 5.500 4.254 4.120 4.375 . 0 0 "[ . 1]" 2
506 1 125 VAL QG 1 126 GLY H 4.200 . 5.500 3.151 2.596 3.599 . 0 0 "[ . 1]" 2
507 1 125 VAL QG 1 127 SER H 4.200 . 5.500 5.074 4.351 5.576 0.076 3 0 "[ . 1]" 2
508 1 125 VAL QG 1 129 GLY H 4.200 . 5.500 5.302 3.697 5.639 0.139 8 0 "[ . 1]" 2
509 1 125 VAL H 1 126 GLY H 2.800 . 3.500 2.863 2.678 3.024 . 0 0 "[ . 1]" 2
510 1 128 LYS HA 1 129 GLY H 2.800 . 3.500 3.015 2.043 3.630 0.130 4 0 "[ . 1]" 2
511 1 128 LYS HA 1 130 GLN H 4.200 . 5.500 4.238 3.590 5.163 . 0 0 "[ . 1]" 2
512 1 128 LYS HA 1 131 VAL H 3.500 . 4.500 4.496 4.050 4.805 0.305 5 0 "[ . 1]" 2
513 1 128 LYS QB 1 129 GLY H 3.500 . 4.500 2.707 1.827 3.546 . 0 0 "[ . 1]" 2
514 1 128 LYS QB 1 130 GLN H 4.200 . 5.500 4.825 4.521 5.384 . 0 0 "[ . 1]" 2
515 1 128 LYS QB 1 131 VAL H 4.200 . 5.500 5.602 4.970 5.972 0.472 3 0 "[ . 1]" 2
516 1 127 SER H 1 128 LYS QG 4.200 . 5.500 4.921 3.501 5.639 0.139 10 0 "[ . 1]" 2
517 1 128 LYS QG 1 129 GLY H 4.200 . 5.500 3.931 2.924 5.279 . 0 0 "[ . 1]" 2
518 1 128 LYS QG 1 131 VAL H 4.200 . 5.500 6.076 5.588 6.931 1.431 8 3 "[ * +-1]" 2
519 1 128 LYS H 1 129 GLY QA 4.200 . 5.500 4.425 3.426 4.716 . 0 0 "[ . 1]" 2
520 1 129 GLY QA 1 130 GLN H 2.800 . 3.500 2.300 2.014 3.444 . 0 0 "[ . 1]" 2
521 1 129 GLY H 1 130 GLN H 2.400 . 2.900 3.187 2.630 4.381 1.481 5 1 "[ + 1]" 2
522 1 129 GLY H 1 130 GLN HA 4.200 . 5.500 4.818 4.241 5.401 . 0 0 "[ . 1]" 2
523 1 130 GLN HA 1 131 VAL H 2.800 . 3.500 3.302 2.465 3.663 0.163 2 0 "[ . 1]" 2
524 1 130 GLN HA 1 132 PHE H 4.200 . 5.500 4.902 4.196 5.711 0.211 2 0 "[ . 1]" 2
525 1 129 GLY H 1 130 GLN QB 4.200 . 5.500 4.672 3.888 5.496 . 0 0 "[ . 1]" 2
526 1 130 GLN QB 1 131 VAL H 3.500 . 4.500 3.425 2.791 4.053 . 0 0 "[ . 1]" 2
527 1 130 GLN QG 1 131 VAL H 4.200 . 5.500 3.996 3.130 4.753 . 0 0 "[ . 1]" 2
528 1 130 GLN H 1 131 VAL H 2.800 . 3.500 2.808 2.019 3.817 0.317 2 0 "[ . 1]" 2
529 1 131 VAL HA 1 134 THR H 3.500 . 4.500 3.358 2.603 3.701 . 0 0 "[ . 1]" 2
530 1 131 VAL HB 1 132 PHE H 3.500 . 4.500 2.934 2.355 3.726 . 0 0 "[ . 1]" 2
531 1 130 GLN H 1 131 VAL QG 4.200 . 5.500 3.462 2.792 5.173 . 0 0 "[ . 1]" 2
532 1 131 VAL QG 1 132 PHE H 3.500 . 4.500 2.650 1.963 3.193 . 0 0 "[ . 1]" 2
533 1 129 GLY H 1 131 VAL H 4.200 . 5.500 3.654 2.049 4.727 . 0 0 "[ . 1]" 2
534 1 128 LYS H 1 132 PHE HA 4.200 . 5.500 5.661 5.234 5.795 0.295 5 0 "[ . 1]" 2
535 1 131 VAL H 1 132 PHE HA 4.200 . 5.500 5.162 4.475 5.373 . 0 0 "[ . 1]" 2
536 1 132 PHE HA 1 133 ALA H 3.500 . 4.500 3.526 3.486 3.602 . 0 0 "[ . 1]" 2
537 1 132 PHE HA 1 136 ALA H 4.200 . 5.500 3.728 3.051 4.266 . 0 0 "[ . 1]" 2
538 1 131 VAL H 1 132 PHE QB 3.500 . 4.500 4.183 3.498 4.565 0.065 4 0 "[ . 1]" 2
539 1 132 PHE QB 1 133 ALA H 2.800 . 3.500 2.969 2.799 3.297 . 0 0 "[ . 1]" 2
540 1 132 PHE QB 1 134 THR H 4.200 . 5.500 5.366 4.985 5.564 0.064 4 0 "[ . 1]" 2
541 1 129 GLY H 1 132 PHE QD 4.200 . 5.500 5.262 4.229 5.648 0.148 3 0 "[ . 1]" 2
542 1 131 VAL H 1 132 PHE QD 4.200 . 5.500 4.910 2.875 5.587 0.087 2 0 "[ . 1]" 2
543 1 132 PHE QD 1 133 ALA H 4.200 . 5.500 2.604 2.378 3.136 . 0 0 "[ . 1]" 2
544 1 132 PHE H 1 133 ALA H 2.800 . 3.500 3.048 2.984 3.133 . 0 0 "[ . 1]" 2
545 1 130 GLN H 1 133 ALA MB 4.200 . 5.500 4.768 2.771 5.319 . 0 0 "[ . 1]" 2
546 1 132 PHE H 1 133 ALA MB 4.200 . 5.500 4.697 4.597 4.792 . 0 0 "[ . 1]" 2
547 1 133 ALA MB 1 134 THR H 3.500 . 4.500 2.376 2.179 2.511 . 0 0 "[ . 1]" 2
548 1 133 ALA MB 1 135 SER H 4.200 . 5.500 4.669 4.563 5.027 . 0 0 "[ . 1]" 2
549 1 133 ALA MB 1 136 ALA H 4.200 . 5.500 4.987 4.730 5.258 . 0 0 "[ . 1]" 2
550 1 131 VAL H 1 134 THR MG 4.200 . 5.500 4.460 4.039 4.944 . 0 0 "[ . 1]" 2
551 1 133 ALA H 1 134 THR MG 4.200 . 5.500 4.318 3.763 4.908 . 0 0 "[ . 1]" 2
552 1 134 THR MG 1 135 SER H 3.500 . 4.500 2.335 2.031 3.793 . 0 0 "[ . 1]" 2
553 1 134 THR MG 1 136 ALA H 3.500 . 4.500 4.634 4.415 5.313 0.813 5 1 "[ + 1]" 2
554 1 134 THR H 1 135 SER H 2.400 . 2.900 3.012 2.955 3.107 0.207 3 0 "[ . 1]" 2
555 1 135 SER HA 1 136 ALA H 2.800 . 3.500 3.560 3.519 3.582 0.082 4 0 "[ . 1]" 2
556 1 135 SER HA 1 137 ILE H 4.200 . 5.500 4.847 4.460 5.278 . 0 0 "[ . 1]" 2
557 1 135 SER QB 1 136 ALA H 2.800 . 3.500 2.331 2.107 2.624 . 0 0 "[ . 1]" 2
558 1 135 SER H 1 136 ALA H 2.400 . 2.900 2.840 2.655 2.945 0.045 9 0 "[ . 1]" 2
559 1 136 ALA HA 1 137 ILE H 2.800 . 3.500 3.595 3.548 3.631 0.131 8 0 "[ . 1]" 2
560 1 135 SER H 1 136 ALA MB 4.200 . 5.500 4.435 4.242 4.799 . 0 0 "[ . 1]" 2
561 1 136 ALA MB 1 137 ILE H 3.500 . 4.500 2.350 2.180 2.478 . 0 0 "[ . 1]" 2
562 1 136 ALA MB 1 138 ARG H 4.200 . 5.500 4.840 4.678 5.032 . 0 0 "[ . 1]" 2
563 1 136 ALA H 1 137 ILE H 2.800 . 3.500 3.062 2.987 3.206 . 0 0 "[ . 1]" 2
564 1 137 ILE HA 1 138 ARG H 2.800 . 3.500 3.553 3.497 3.606 0.106 5 0 "[ . 1]" 2
565 1 137 ILE MG 1 138 ARG H 3.500 . 4.500 2.761 2.650 2.855 . 0 0 "[ . 1]" 2
566 1 138 ARG HA 1 139 GLY H 2.800 . 3.500 3.406 2.833 3.671 0.171 3 0 "[ . 1]" 2
567 1 138 ARG HA 1 142 PHE H 4.200 . 5.500 3.731 3.359 4.097 . 0 0 "[ . 1]" 2
568 1 138 ARG QB 1 139 GLY H 2.800 . 3.500 3.039 2.618 3.589 0.089 4 0 "[ . 1]" 2
569 1 138 ARG QD 1 139 GLY H 4.200 . 5.500 5.245 4.620 5.739 0.239 2 0 "[ . 1]" 2
570 1 138 ARG QG 1 139 GLY H 4.200 . 5.500 4.197 3.924 4.384 . 0 0 "[ . 1]" 2
571 1 138 ARG H 1 139 GLY H 2.800 . 3.500 2.770 2.649 2.950 . 0 0 "[ . 1]" 2
572 1 138 ARG H 1 139 GLY QA 4.200 . 5.500 4.556 4.371 4.692 . 0 0 "[ . 1]" 2
573 1 139 GLY QA 1 140 ILE H 3.500 . 4.500 2.598 2.417 2.728 . 0 0 "[ . 1]" 2
574 1 139 GLY QA 1 142 PHE H 4.200 . 5.500 3.707 3.309 4.076 . 0 0 "[ . 1]" 2
575 1 140 ILE HA 1 141 ARG H 2.800 . 3.500 3.531 3.320 3.612 0.112 6 0 "[ . 1]" 2
576 1 140 ILE HA 1 142 PHE H 3.500 . 4.500 4.268 3.993 4.552 0.052 10 0 "[ . 1]" 2
577 1 136 ALA H 1 140 ILE HB 4.200 . 5.500 5.415 4.782 5.951 0.451 6 0 "[ . 1]" 2
578 1 140 ILE MD 1 141 ARG H 3.500 . 4.500 4.506 4.246 4.847 0.347 8 0 "[ . 1]" 2
579 1 139 GLY H 1 140 ILE MG 4.200 . 5.500 5.262 4.689 5.701 0.201 9 0 "[ . 1]" 2
580 1 139 GLY H 1 140 ILE H 2.800 . 3.500 2.772 2.244 3.192 . 0 0 "[ . 1]" 2
581 1 140 ILE H 1 141 ARG H 2.800 . 3.500 2.786 2.570 2.926 . 0 0 "[ . 1]" 2
582 1 141 ARG HA 1 144 GLN H 3.500 . 4.500 3.053 2.387 3.358 . 0 0 "[ . 1]" 2
583 1 141 ARG QB 1 142 PHE H 3.500 . 4.500 2.695 2.452 3.005 . 0 0 "[ . 1]" 2
584 1 141 ARG QB 1 144 GLN H 3.500 . 4.500 4.596 4.329 4.692 0.192 6 0 "[ . 1]" 2
585 1 141 ARG QD 1 144 GLN H 4.200 . 5.500 5.447 4.997 6.152 0.652 3 2 "[ + . -]" 2
586 1 141 ARG QG 1 142 PHE H 4.200 . 5.500 4.251 3.904 4.567 . 0 0 "[ . 1]" 2
587 1 142 PHE HA 1 143 LEU H 3.500 . 4.500 3.567 3.520 3.595 . 0 0 "[ . 1]" 2
588 1 142 PHE QB 1 143 LEU H 3.500 . 4.500 2.756 2.422 2.922 . 0 0 "[ . 1]" 2
589 1 140 ILE H 1 142 PHE QD 4.200 . 5.500 5.539 5.355 5.746 0.246 2 0 "[ . 1]" 2
590 1 141 ARG H 1 142 PHE QD 4.200 . 5.500 5.438 4.373 5.743 0.243 9 0 "[ . 1]" 2
591 1 142 PHE QD 1 143 LEU H 4.200 . 5.500 3.772 2.970 4.654 . 0 0 "[ . 1]" 2
592 1 142 PHE QD 1 145 ILE H 4.200 . 5.500 5.480 5.149 5.618 0.118 10 0 "[ . 1]" 2
593 1 143 LEU HG 1 144 GLN H 3.500 . 4.500 4.123 3.500 4.711 0.211 6 0 "[ . 1]" 2
594 1 143 LEU H 1 144 GLN H 2.800 . 3.500 2.814 2.701 3.067 . 0 0 "[ . 1]" 2
595 1 144 GLN HA 1 145 ILE H 2.800 . 3.500 3.591 3.485 3.652 0.152 2 0 "[ . 1]" 2
596 1 141 ARG H 1 144 GLN QB 4.200 . 5.500 5.252 4.589 5.607 0.107 1 0 "[ . 1]" 2
597 1 144 GLN QB 1 145 ILE H 2.800 . 3.500 2.684 2.499 2.866 . 0 0 "[ . 1]" 2
598 1 144 GLN QG 1 145 ILE H 3.500 . 4.500 4.246 3.765 4.657 0.157 7 0 "[ . 1]" 2
599 1 144 GLN H 1 145 ILE H 2.800 . 3.500 2.758 2.590 2.964 . 0 0 "[ . 1]" 2
600 1 145 ILE HB 1 146 LEU H 2.800 . 3.500 3.789 3.374 4.099 0.599 3 3 "[ + . - *]" 2
601 1 142 PHE H 1 145 ILE QG 3.500 . 4.500 4.523 4.196 4.831 0.331 4 0 "[ . 1]" 2
602 1 142 PHE H 1 145 ILE H 4.200 . 5.500 5.132 4.902 5.484 . 0 0 "[ . 1]" 2
603 1 146 LEU HA 1 147 ARG H 3.500 . 4.500 3.481 3.429 3.555 . 0 0 "[ . 1]" 2
604 1 146 LEU QB 1 147 ARG H 3.500 . 4.500 2.820 2.518 3.025 . 0 0 "[ . 1]" 2
605 1 147 ARG HA 1 148 MET H 2.800 . 3.500 3.519 3.435 3.571 0.071 1 0 "[ . 1]" 2
606 1 147 ARG HA 1 149 LEU H 3.500 . 4.500 3.258 2.965 3.661 . 0 0 "[ . 1]" 2
607 1 147 ARG QB 1 148 MET H 3.500 . 4.500 2.912 2.460 3.255 . 0 0 "[ . 1]" 2
608 1 146 LEU H 1 147 ARG QD 3.500 . 4.500 4.662 4.308 4.888 0.388 3 0 "[ . 1]" 2
609 1 147 ARG H 1 148 MET HA 4.200 . 5.500 5.371 5.082 5.605 0.105 6 0 "[ . 1]" 2
610 1 148 MET HA 1 152 ASP H 4.200 . 5.500 6.316 5.764 7.381 1.881 10 5 "[ -*.** +]" 2
611 1 147 ARG H 1 148 MET QB 4.200 . 5.500 4.339 3.691 5.067 . 0 0 "[ . 1]" 2
612 1 147 ARG H 1 148 MET QG 4.200 . 5.500 4.836 3.947 5.826 0.326 3 0 "[ . 1]" 2
613 1 148 MET QG 1 149 LEU H 4.200 . 5.500 4.259 3.757 4.743 . 0 0 "[ . 1]" 2
614 1 148 MET H 1 149 LEU H 2.400 . 2.900 3.135 2.910 3.329 0.429 5 0 "[ . 1]" 2
615 1 148 MET H 1 150 HIS H 3.500 . 4.500 4.348 4.034 4.669 0.169 2 0 "[ . 1]" 2
616 1 149 LEU HA 1 150 HIS H 2.800 . 3.500 3.452 3.346 3.568 0.068 2 0 "[ . 1]" 2
617 1 149 LEU HA 1 151 VAL H 3.500 . 4.500 3.585 3.072 4.408 . 0 0 "[ . 1]" 2
618 1 149 LEU QB 1 150 HIS H 3.500 . 4.500 3.051 2.635 3.629 . 0 0 "[ . 1]" 2
619 1 149 LEU QB 1 151 VAL H 4.200 . 5.500 4.582 4.227 4.852 . 0 0 "[ . 1]" 2
620 1 149 LEU QD 1 150 HIS H 3.500 . 4.500 3.994 2.265 4.360 . 0 0 "[ . 1]" 2
621 1 148 MET H 1 149 LEU HG 3.500 . 4.500 4.525 3.980 4.777 0.277 5 0 "[ . 1]" 2
622 1 149 LEU HG 1 150 HIS H 3.500 . 4.500 4.126 3.062 4.451 . 0 0 "[ . 1]" 2
623 1 149 LEU HG 1 151 VAL H 4.200 . 5.500 5.467 4.980 5.687 0.187 6 0 "[ . 1]" 2
624 1 146 LEU H 1 149 LEU H 4.200 . 5.500 5.485 5.073 5.663 0.163 4 0 "[ . 1]" 2
625 1 149 LEU H 1 150 HIS H 2.800 . 3.500 1.999 1.794 2.116 0.006 10 0 "[ . 1]" 2
626 1 149 LEU H 1 151 VAL H 3.500 . 4.500 3.318 2.864 3.533 . 0 0 "[ . 1]" 2
627 1 149 LEU H 1 150 HIS HA 3.500 . 4.500 4.762 4.572 4.873 0.373 8 0 "[ . 1]" 2
628 1 150 HIS HA 1 151 VAL H 2.800 . 3.500 3.412 3.102 3.572 0.072 6 0 "[ . 1]" 2
629 1 149 LEU H 1 150 HIS QB 4.200 . 5.500 4.025 3.486 4.496 . 0 0 "[ . 1]" 2
630 1 150 HIS QB 1 151 VAL H 3.500 . 3.500 3.219 2.470 3.704 0.204 1 0 "[ . 1]" 2
631 1 150 HIS QB 1 152 ASP H 4.200 . 5.500 4.461 3.028 5.726 0.226 10 0 "[ . 1]" 2
632 1 149 LEU H 1 150 HIS HD2 4.200 . 5.500 5.144 4.606 5.690 0.190 10 0 "[ . 1]" 2
633 1 150 HIS HD2 1 151 VAL H 4.200 . 5.500 5.020 4.082 5.475 . 0 0 "[ . 1]" 2
634 1 151 VAL HA 1 152 ASP H 2.800 . 3.500 2.169 1.785 2.601 0.015 10 0 "[ . 1]" 2
635 1 151 VAL HB 1 152 ASP H 3.500 . 4.500 4.222 3.792 4.541 0.041 5 0 "[ . 1]" 2
636 1 151 VAL QG 1 152 ASP H 2.800 . 3.500 3.272 2.477 3.651 0.151 4 0 "[ . 1]" 2
637 1 151 VAL H 1 152 ASP H 2.800 . 3.500 3.437 2.674 4.177 0.677 10 2 "[- . +]" 2
638 1 151 VAL H 1 153 ARG H 4.200 . 5.500 5.365 4.813 5.948 0.448 10 0 "[ . 1]" 2
639 1 152 ASP HA 1 153 ARG H 2.800 . 3.500 2.651 2.022 3.325 . 0 0 "[ . 1]" 2
640 1 152 ASP HA 1 154 GLN H 4.200 . 5.500 3.712 2.806 4.439 . 0 0 "[ . 1]" 2
641 1 151 VAL H 1 152 ASP QB 4.200 . 5.500 5.116 4.365 5.547 0.047 1 0 "[ . 1]" 2
642 1 152 ASP QB 1 153 ARG H 2.800 . 3.500 3.796 3.259 3.932 0.432 7 0 "[ . 1]" 2
643 1 152 ASP QB 1 154 GLN H 4.200 . 5.500 4.394 3.173 5.591 0.091 5 0 "[ . 1]" 2
644 1 153 ARG QB 1 154 GLN H 3.500 . 3.500 3.323 2.232 4.094 0.594 5 1 "[ + 1]" 2
645 1 153 ARG QD 1 154 GLN H 4.200 . 5.500 5.017 4.394 5.683 0.183 1 0 "[ . 1]" 2
646 1 153 ARG QG 1 154 GLN H 3.500 . 4.500 4.182 3.035 4.704 0.204 2 0 "[ . 1]" 2
647 1 153 ARG QG 1 155 GLY H 4.200 . 5.500 5.298 4.099 5.746 0.246 7 0 "[ . 1]" 2
648 1 152 ASP H 1 153 ARG H 2.800 . 3.500 3.177 2.481 3.873 0.373 8 0 "[ . 1]" 2
649 1 153 ARG H 1 154 GLN H 2.400 . 2.900 2.893 2.501 3.282 0.382 5 0 "[ . 1]" 2
650 1 154 GLN HA 1 155 GLY H 2.400 . 2.900 2.698 2.101 2.937 0.037 2 0 "[ . 1]" 2
651 1 154 GLN QB 1 155 GLY H 3.500 . 4.500 3.824 2.815 4.091 . 0 0 "[ . 1]" 2
652 1 153 ARG H 1 154 GLN QG 4.200 . 5.500 4.918 4.234 5.598 0.098 4 0 "[ . 1]" 2
653 1 154 GLN QG 1 155 GLY H 4.200 . 5.500 4.429 3.792 4.942 . 0 0 "[ . 1]" 2
654 1 154 GLN H 1 156 GLY H 3.500 . 4.500 3.956 2.712 4.755 0.255 2 0 "[ . 1]" 2
655 1 155 GLY H 1 157 THR H 3.500 . 4.500 4.273 3.546 4.752 0.252 4 0 "[ . 1]" 2
656 1 156 GLY QA 1 157 THR H 2.400 . 2.900 2.395 2.180 2.700 . 0 0 "[ . 1]" 2
657 1 155 GLY H 1 156 GLY H 2.400 . 2.900 2.327 1.717 3.031 0.131 2 0 "[ . 1]" 2
658 1 156 GLY H 1 157 THR HA 4.200 . 5.500 4.474 4.132 4.852 . 0 0 "[ . 1]" 2
659 1 157 THR HA 1 158 TRP H 2.400 . 2.900 2.142 2.010 2.583 . 0 0 "[ . 1]" 2
660 1 154 GLN H 1 157 THR HB 4.200 . 5.500 5.785 4.788 7.129 1.629 6 1 "[ .+ 1]" 2
661 1 157 THR HB 1 158 TRP H 2.800 . 3.500 3.314 2.047 3.886 0.386 8 0 "[ . 1]" 2
662 1 157 THR MG 1 158 TRP H 4.200 . 5.500 3.678 2.023 4.156 . 0 0 "[ . 1]" 2
663 1 156 GLY H 1 157 THR H 2.400 . 2.900 2.743 2.106 3.241 0.341 8 0 "[ . 1]" 2
664 1 157 THR H 1 158 TRP H 3.500 . 4.500 4.486 4.253 4.626 0.126 5 0 "[ . 1]" 2
665 1 158 TRP HA 1 159 ARG H 2.800 . 3.500 2.924 2.688 3.150 . 0 0 "[ . 1]" 2
666 1 157 THR H 1 158 TRP QB 4.200 . 5.500 5.616 5.460 5.791 0.291 3 0 "[ . 1]" 2
667 1 158 TRP QB 1 159 ARG H 3.500 . 4.500 3.843 3.715 3.951 . 0 0 "[ . 1]" 2
668 1 158 TRP H 1 159 ARG H 2.400 . 2.900 2.884 2.439 3.116 0.216 4 0 "[ . 1]" 2
669 1 158 TRP H 1 159 ARG QB 4.200 . 5.500 4.945 4.582 5.434 . 0 0 "[ . 1]" 2
670 1 157 THR H 1 159 ARG H 4.200 . 5.500 4.953 4.238 5.757 0.257 4 0 "[ . 1]" 2
671 1 137 ILE QG 1 141 ARG HE 4.200 . 5.500 5.464 5.018 5.706 0.206 6 0 "[ . 1]" 2
672 1 141 ARG HE 1 144 GLN QB 4.200 . 5.500 5.043 4.589 5.695 0.195 1 0 "[ . 1]" 2
673 1 30 TRP H 1 31 LYS H 3.500 . 4.500 2.782 1.993 3.003 . 0 0 "[ . 1]" 2
674 1 31 LYS HA 1 32 CYS H 3.500 . 4.500 3.596 3.569 3.634 . 0 0 "[ . 1]" 2
675 1 31 LYS HA 1 35 TYR H 4.200 . 5.500 3.675 3.484 4.084 . 0 0 "[ . 1]" 2
676 1 31 LYS QB 1 32 CYS H 3.500 . 4.500 2.455 2.190 2.719 . 0 0 "[ . 1]" 2
677 1 31 LYS QB 1 35 TYR H 4.200 . 5.500 5.167 5.040 5.425 . 0 0 "[ . 1]" 2
678 1 31 LYS QG 1 32 CYS H 4.200 . 5.500 3.744 3.160 4.188 . 0 0 "[ . 1]" 2
679 1 31 LYS H 1 32 CYS H 3.500 . 4.500 2.810 2.591 2.985 . 0 0 "[ . 1]" 2
680 1 33 PHE HA 1 34 VAL H 4.200 . 5.500 3.620 3.591 3.644 . 0 0 "[ . 1]" 2
681 1 30 TRP H 1 33 PHE QB 3.500 . 4.500 4.546 4.384 4.654 0.154 8 0 "[ . 1]" 2
682 1 32 CYS H 1 33 PHE QB 3.500 . 4.500 4.471 4.290 4.626 0.126 2 0 "[ . 1]" 2
683 1 33 PHE QB 1 34 VAL H 3.500 . 4.500 2.430 2.307 2.536 . 0 0 "[ . 1]" 2
684 1 33 PHE QD 1 34 VAL H 4.200 . 5.500 3.333 2.728 3.903 . 0 0 "[ . 1]" 2
685 1 32 CYS H 1 33 PHE H 2.800 . 3.500 2.865 2.560 2.989 . 0 0 "[ . 1]" 2
686 1 33 PHE H 1 34 VAL H 3.500 . 4.500 2.934 2.788 3.078 . 0 0 "[ . 1]" 2
687 1 33 PHE H 1 34 VAL HA 4.200 . 5.500 5.482 5.413 5.534 0.034 6 0 "[ . 1]" 2
688 1 34 VAL HA 1 36 HIS H 4.200 . 5.500 4.777 4.053 5.101 . 0 0 "[ . 1]" 2
689 1 34 VAL HA 1 38 ALA H 4.200 . 5.500 4.087 3.913 4.316 . 0 0 "[ . 1]" 2
690 1 34 VAL HB 1 35 TYR H 3.500 . 4.500 3.365 2.582 4.088 . 0 0 "[ . 1]" 2
691 1 34 VAL QG 1 35 TYR H 4.200 . 5.500 2.800 2.175 3.440 . 0 0 "[ . 1]" 2
692 1 34 VAL QG 1 38 ALA H 4.200 . 5.500 4.052 3.657 4.697 . 0 0 "[ . 1]" 2
693 1 32 CYS H 1 34 VAL H 3.500 . 4.500 4.619 4.524 4.699 0.199 1 0 "[ . 1]" 2
694 1 34 VAL H 1 35 TYR H 3.500 . 4.500 2.648 2.522 2.782 . 0 0 "[ . 1]" 2
695 1 34 VAL H 1 36 HIS H 4.200 . 5.500 4.494 4.221 4.683 . 0 0 "[ . 1]" 2
696 1 35 TYR HA 1 36 HIS H 3.500 . 4.500 3.622 3.581 3.644 . 0 0 "[ . 1]" 2
697 1 35 TYR HA 1 38 ALA H 3.500 . 4.500 3.510 2.845 3.853 . 0 0 "[ . 1]" 2
698 1 35 TYR HA 1 39 VAL H 3.500 . 4.500 4.147 3.915 4.409 . 0 0 "[ . 1]" 2
699 1 35 TYR QB 1 36 HIS H 2.800 . 3.500 2.691 2.423 2.923 . 0 0 "[ . 1]" 2
700 1 35 TYR QD 1 36 HIS H 4.200 . 5.500 3.938 3.014 4.684 . 0 0 "[ . 1]" 2
701 1 35 TYR H 1 36 HIS H 3.500 . 4.500 2.787 2.688 2.886 . 0 0 "[ . 1]" 2
702 1 35 TYR H 1 38 ALA H 4.200 . 5.500 4.801 4.562 5.078 . 0 0 "[ . 1]" 2
703 1 36 HIS HA 1 39 VAL H 3.500 . 4.500 3.108 2.710 3.415 . 0 0 "[ . 1]" 2
704 1 36 HIS H 1 37 PHE H 3.500 . 4.500 2.688 2.628 2.759 . 0 0 "[ . 1]" 2
705 1 36 HIS H 1 37 PHE QB 3.500 . 4.500 4.541 4.357 4.648 0.148 2 0 "[ . 1]" 2
706 1 37 PHE QB 1 38 ALA H 3.500 . 4.500 2.691 2.390 2.961 . 0 0 "[ . 1]" 2
707 1 37 PHE QD 1 38 ALA H 4.200 . 5.500 4.348 3.716 4.644 . 0 0 "[ . 1]" 2
708 1 37 PHE H 1 38 ALA H 3.500 . 4.500 2.844 2.672 2.999 . 0 0 "[ . 1]" 2
709 1 38 ALA HA 1 39 VAL H 3.500 . 4.500 3.677 3.652 3.709 . 0 0 "[ . 1]" 2
710 1 38 ALA HA 1 41 LEU H 3.500 . 4.500 3.541 3.346 3.760 . 0 0 "[ . 1]" 2
711 1 38 ALA HA 1 42 ILE H 3.500 . 4.500 3.804 3.662 4.065 . 0 0 "[ . 1]" 2
712 1 37 PHE H 1 38 ALA MB 4.200 . 5.500 4.373 4.173 4.505 . 0 0 "[ . 1]" 2
713 1 38 ALA MB 1 39 VAL H 3.500 . 4.500 2.643 2.570 2.692 . 0 0 "[ . 1]" 2
714 1 36 HIS H 1 38 ALA H 4.200 . 5.500 4.302 4.058 4.481 . 0 0 "[ . 1]" 2
715 1 38 ALA H 1 39 VAL H 3.500 . 4.500 3.128 2.944 3.278 . 0 0 "[ . 1]" 2
716 1 39 VAL HA 1 41 LEU H 4.200 . 5.500 4.559 4.324 4.718 . 0 0 "[ . 1]" 2
717 1 40 PHE HA 1 44 LEU H 4.200 . 5.500 4.112 4.021 4.267 . 0 0 "[ . 1]" 2
718 1 40 PHE H 1 41 LEU H 2.800 . 3.500 2.779 2.570 2.958 . 0 0 "[ . 1]" 2
719 1 41 LEU H 1 42 ILE H 2.800 . 3.500 2.806 2.709 2.914 . 0 0 "[ . 1]" 2
720 1 38 ALA H 1 42 ILE MD 4.200 . 5.500 5.638 5.584 5.691 0.191 8 0 "[ . 1]" 2
721 1 42 ILE QG 1 46 CYS H 4.200 . 5.500 5.331 5.061 5.510 0.010 10 0 "[ . 1]" 2
722 1 43 VAL HA 1 44 LEU H 3.500 . 4.500 3.545 3.506 3.611 . 0 0 "[ . 1]" 2
723 1 43 VAL HA 1 47 LEU H 4.200 . 5.500 3.863 3.526 4.120 . 0 0 "[ . 1]" 2
724 1 43 VAL HB 1 44 LEU H 2.800 . 3.500 3.462 2.581 3.787 0.287 9 0 "[ . 1]" 2
725 1 43 VAL H 1 44 LEU H 2.800 . 3.500 2.780 2.738 2.845 . 0 0 "[ . 1]" 2
726 1 44 LEU HA 1 45 VAL H 3.500 . 4.500 3.621 3.596 3.657 . 0 0 "[ . 1]" 2
727 1 44 LEU QB 1 45 VAL H 3.500 . 4.500 2.535 2.342 2.686 . 0 0 "[ . 1]" 2
728 1 45 VAL HA 1 46 CYS H 2.800 . 3.500 3.567 3.525 3.588 0.088 7 0 "[ . 1]" 2
729 1 45 VAL HA 1 49 PHE H 3.500 . 4.500 3.725 3.520 3.866 . 0 0 "[ . 1]" 2
730 1 45 VAL HB 1 46 CYS H 2.800 . 3.500 2.990 2.475 3.782 0.282 4 0 "[ . 1]" 2
731 1 45 VAL QG 1 46 CYS H 3.500 . 4.500 2.836 2.186 3.228 . 0 0 "[ . 1]" 2
732 1 44 LEU H 1 45 VAL H 3.500 . 4.500 2.904 2.731 3.140 . 0 0 "[ . 1]" 2
733 1 45 VAL H 1 46 CYS H 2.800 . 3.500 2.723 2.517 2.842 . 0 0 "[ . 1]" 2
734 1 45 VAL H 1 46 CYS HA 4.200 . 5.500 5.359 5.207 5.437 . 0 0 "[ . 1]" 2
735 1 45 VAL H 1 46 CYS QB 4.200 . 5.500 4.580 3.986 4.822 . 0 0 "[ . 1]" 2
736 1 46 CYS QB 1 47 LEU H 4.200 . 5.500 2.689 2.363 2.903 . 0 0 "[ . 1]" 2
737 1 46 CYS H 1 47 LEU H 2.800 . 3.500 2.918 2.764 3.128 . 0 0 "[ . 1]" 2
738 1 47 LEU HA 1 49 PHE H 3.500 . 4.500 4.459 4.319 4.575 0.075 8 0 "[ . 1]" 2
739 1 45 VAL H 1 47 LEU H 3.500 . 4.500 4.343 4.165 4.521 0.021 5 0 "[ . 1]" 2
740 1 48 ILE H 1 49 PHE H 4.200 . 5.500 2.723 2.516 2.937 . 0 0 "[ . 1]" 2
741 1 49 PHE QB 1 50 SER H 3.500 . 4.500 2.825 2.528 3.018 . 0 0 "[ . 1]" 2
742 1 49 PHE H 1 50 SER H 3.500 . 4.500 2.813 2.691 2.931 . 0 0 "[ . 1]" 2
743 1 51 VAL H 1 52 LEU H 2.800 . 3.500 2.739 2.628 2.906 . 0 0 "[ . 1]" 2
744 1 52 LEU H 1 53 SER H 2.800 . 3.500 2.564 2.321 2.918 . 0 0 "[ . 1]" 2
745 1 53 SER H 1 54 THR H 3.500 . 4.500 2.850 2.631 3.099 . 0 0 "[ . 1]" 2
746 1 54 THR HB 1 55 ILE H 3.500 . 4.500 4.174 3.726 4.372 . 0 0 "[ . 1]" 2
747 1 54 THR H 1 55 ILE H 3.500 . 4.500 2.593 2.107 2.813 . 0 0 "[ . 1]" 2
748 1 54 THR H 1 55 ILE MD 4.200 . 5.500 5.461 4.637 5.952 0.452 5 0 "[ . 1]" 2
749 1 55 ILE HG12 1 56 GLU H 3.500 . 4.500 4.470 3.237 5.274 0.774 10 1 "[ . +]" 2
750 1 54 THR H 1 55 ILE MG 4.200 . 5.500 5.242 3.485 5.747 0.247 3 0 "[ . 1]" 2
751 1 55 ILE MG 1 56 GLU H 4.200 . 5.500 3.285 2.321 4.304 . 0 0 "[ . 1]" 2
752 1 56 GLU HA 1 60 ALA H 3.500 . 4.500 4.018 3.792 4.499 . 0 0 "[ . 1]" 2
753 1 55 ILE H 1 56 GLU H 2.800 . 3.500 2.461 2.051 2.949 . 0 0 "[ . 1]" 2
754 1 56 GLU H 1 57 GLN H 3.500 . 4.500 2.719 2.545 2.891 . 0 0 "[ . 1]" 2
755 1 57 GLN H 1 60 ALA H 3.500 . 4.500 4.591 4.348 4.784 0.284 8 0 "[ . 1]" 2
756 1 58 TYR H 1 59 ALA MB 4.200 . 5.500 4.082 3.765 4.380 . 0 0 "[ . 1]" 2
757 1 59 ALA H 1 60 ALA HA 4.200 . 5.500 5.241 4.857 5.411 . 0 0 "[ . 1]" 2
758 1 60 ALA MB 1 61 LEU H 3.500 . 4.500 3.040 2.694 3.266 . 0 0 "[ . 1]" 2
759 1 60 ALA H 1 61 LEU H 2.400 . 2.900 2.940 2.817 3.003 0.103 7 0 "[ . 1]" 2
760 1 61 LEU QD 1 62 ALA H 4.200 . 5.500 3.937 2.539 4.420 . 0 0 "[ . 1]" 2
761 1 61 LEU H 1 62 ALA H 3.500 . 4.500 2.599 2.359 2.810 . 0 0 "[ . 1]" 2
762 1 61 LEU H 1 62 ALA HA 4.200 . 5.500 5.308 5.086 5.501 0.001 2 0 "[ . 1]" 2
763 1 62 ALA MB 1 63 THR H 4.200 . 5.500 2.410 2.222 2.560 . 0 0 "[ . 1]" 2
764 1 62 ALA MB 1 64 GLY H 4.200 . 5.500 5.344 5.001 5.576 0.076 4 0 "[ . 1]" 2
765 1 62 ALA H 1 63 THR H 3.500 . 4.500 2.126 1.833 2.557 . 0 0 "[ . 1]" 2
766 1 63 THR HA 1 64 GLY H 2.400 . 2.900 2.559 2.244 2.782 . 0 0 "[ . 1]" 2
767 1 63 THR MG 1 64 GLY H 4.200 . 5.500 3.107 2.530 3.854 . 0 0 "[ . 1]" 2
768 1 63 THR H 1 64 GLY H 3.500 . 4.500 4.392 4.279 4.532 0.032 6 0 "[ . 1]" 2
769 1 68 TRP HA 1 71 ILE H 2.800 . 3.500 3.357 3.234 3.510 0.010 1 0 "[ . 1]" 2
770 1 71 ILE H 1 72 VAL H 2.800 . 3.500 2.940 2.450 3.221 . 0 0 "[ . 1]" 2
771 1 73 LEU H 1 74 VAL H 3.500 . 4.500 2.725 2.616 2.805 . 0 0 "[ . 1]" 2
772 1 78 GLY QA 1 79 THR H 3.500 . 4.500 2.708 2.603 2.765 . 0 0 "[ . 1]" 2
773 1 79 THR H 1 80 GLU H 3.500 . 4.500 2.721 2.540 2.905 . 0 0 "[ . 1]" 2
774 1 80 GLU QB 1 81 TYR H 2.800 . 3.500 2.619 2.271 2.871 . 0 0 "[ . 1]" 2
775 1 80 GLU H 1 81 TYR H 2.400 . 2.900 2.909 2.842 2.970 0.070 2 0 "[ . 1]" 2
776 1 83 VAL HA 1 84 ARG H 3.500 . 4.500 3.581 3.546 3.613 . 0 0 "[ . 1]" 2
777 1 83 VAL HA 1 85 LEU H 3.500 . 4.500 4.196 4.009 4.418 . 0 0 "[ . 1]" 2
778 1 83 VAL HA 1 86 TRP H 3.500 . 4.500 3.090 2.932 3.225 . 0 0 "[ . 1]" 2
779 1 83 VAL HA 1 87 SER H 3.500 . 4.500 3.931 3.628 4.497 . 0 0 "[ . 1]" 2
780 1 83 VAL HB 1 84 ARG H 2.800 . 3.500 2.954 2.837 3.086 . 0 0 "[ . 1]" 2
781 1 83 VAL QG 1 84 ARG H 4.200 . 5.500 3.174 2.992 3.307 . 0 0 "[ . 1]" 2
782 1 83 VAL H 1 84 ARG H 2.800 . 3.500 2.809 2.734 2.869 . 0 0 "[ . 1]" 2
783 1 85 LEU HA 1 86 TRP H 3.500 . 4.500 3.539 3.456 3.625 . 0 0 "[ . 1]" 2
784 1 85 LEU HA 1 88 ALA H 2.800 . 3.500 3.369 3.105 3.606 0.106 9 0 "[ . 1]" 2
785 1 85 LEU QB 1 86 TRP H 4.200 . 5.500 2.704 2.483 2.903 . 0 0 "[ . 1]" 2
786 1 85 LEU QD 1 86 TRP H 4.200 . 5.500 4.168 4.109 4.255 . 0 0 "[ . 1]" 2
787 1 85 LEU HG 1 86 TRP H 3.500 . 4.500 4.388 4.245 4.526 0.026 2 0 "[ . 1]" 2
788 1 85 LEU H 1 86 TRP H 3.500 . 4.500 2.607 2.491 2.711 . 0 0 "[ . 1]" 2
789 1 85 LEU H 1 86 TRP HA 4.200 . 5.500 5.300 5.188 5.396 . 0 0 "[ . 1]" 2
790 1 86 TRP HA 1 87 SER H 3.500 . 4.500 3.601 3.527 3.664 . 0 0 "[ . 1]" 2
791 1 86 TRP QB 1 87 SER H 3.500 . 4.500 2.744 2.534 3.271 . 0 0 "[ . 1]" 2
792 1 86 TRP H 1 87 SER H 3.500 . 4.500 2.828 2.620 3.003 . 0 0 "[ . 1]" 2
793 1 86 TRP H 1 88 ALA H 4.200 . 5.500 4.085 3.559 4.350 . 0 0 "[ . 1]" 2
794 1 87 SER HA 1 89 GLY H 2.800 . 3.500 3.339 2.784 3.676 0.176 2 0 "[ . 1]" 2
795 1 87 SER H 1 88 ALA H 2.800 . 3.500 2.872 2.668 3.023 . 0 0 "[ . 1]" 2
796 1 88 ALA HA 1 89 GLY H 2.800 . 3.500 3.472 3.366 3.638 0.138 3 0 "[ . 1]" 2
797 1 88 ALA MB 1 89 GLY H 3.500 . 4.500 3.006 2.308 3.336 . 0 0 "[ . 1]" 2
798 1 88 ALA H 1 89 GLY QA 4.200 . 5.500 4.626 4.361 4.828 . 0 0 "[ . 1]" 2
799 1 88 ALA H 1 89 GLY H 2.800 . 3.500 2.831 2.639 3.035 . 0 0 "[ . 1]" 2
800 1 108 ILE MG 1 109 SER H 4.200 . 5.500 3.295 2.230 3.909 . 0 0 "[ . 1]" 2
801 1 110 ILE H 1 111 ILE HA 4.200 . 5.500 5.294 5.151 5.360 . 0 0 "[ . 1]" 2
802 1 110 ILE H 1 111 ILE H 2.800 . 3.500 2.627 2.460 2.721 . 0 0 "[ . 1]" 2
803 1 109 SER H 1 113 LEU H 4.200 . 5.500 5.804 5.729 5.893 0.393 10 0 "[ . 1]" 2
804 1 114 ILE H 1 115 VAL H 3.500 . 4.500 2.769 2.701 2.836 . 0 0 "[ . 1]" 2
805 1 115 VAL HA 1 116 VAL H 3.500 . 4.500 3.644 3.611 3.680 . 0 0 "[ . 1]" 2
806 1 115 VAL H 1 116 VAL H 2.800 . 3.500 2.867 2.785 2.963 . 0 0 "[ . 1]" 2
807 1 116 VAL H 1 117 VAL H 3.500 . 4.500 2.653 2.599 2.704 . 0 0 "[ . 1]" 2
808 1 117 VAL HA 1 118 ALA H 2.800 . 3.500 3.597 3.556 3.615 0.115 2 0 "[ . 1]" 2
809 1 117 VAL HA 1 120 MET H 3.500 . 4.500 3.376 2.959 3.672 . 0 0 "[ . 1]" 2
810 1 117 VAL HB 1 118 ALA H 3.500 . 4.500 2.791 2.504 3.771 . 0 0 "[ . 1]" 2
811 1 117 VAL QG 1 118 ALA H 3.500 . 4.500 3.124 2.189 3.409 . 0 0 "[ . 1]" 2
812 1 117 VAL QG 1 120 MET H 3.500 . 4.500 4.420 4.086 4.601 0.101 6 0 "[ . 1]" 2
813 1 117 VAL H 1 118 ALA H 2.800 . 3.500 2.541 2.411 2.650 . 0 0 "[ . 1]" 2
814 1 117 VAL H 1 118 ALA HA 4.200 . 5.500 5.159 5.035 5.241 . 0 0 "[ . 1]" 2
815 1 118 ALA HA 1 119 SER H 2.800 . 3.500 3.564 3.536 3.588 0.088 6 0 "[ . 1]" 2
816 1 117 VAL H 1 118 ALA MB 4.200 . 5.500 4.181 3.980 4.317 . 0 0 "[ . 1]" 2
817 1 118 ALA MB 1 119 SER H 3.500 . 4.500 2.421 2.287 2.533 . 0 0 "[ . 1]" 2
818 1 118 ALA H 1 119 SER H 2.800 . 3.500 2.881 2.827 2.933 . 0 0 "[ . 1]" 2
819 1 118 ALA H 1 119 SER HA 4.200 . 5.500 5.493 5.419 5.534 0.034 2 0 "[ . 1]" 2
820 1 119 SER HA 1 120 MET H 2.800 . 3.500 3.572 3.524 3.616 0.116 8 0 "[ . 1]" 2
821 1 119 SER H 1 120 MET H 2.800 . 3.500 2.884 2.776 3.007 . 0 0 "[ . 1]" 2
822 1 120 MET H 1 121 VAL H 2.400 . 2.900 2.783 2.580 3.023 0.123 6 0 "[ . 1]" 2
823 1 119 SER H 1 121 VAL H 3.500 . 4.500 4.272 4.017 4.556 0.056 6 0 "[ . 1]" 2
824 1 121 VAL H 1 122 VAL H 2.400 . 2.900 2.843 2.703 2.931 0.031 9 0 "[ . 1]" 2
825 1 122 VAL HB 1 123 LEU H 3.500 . 4.500 3.706 2.493 4.134 . 0 0 "[ . 1]" 2
826 1 120 MET H 1 123 LEU QB 4.200 . 5.500 5.339 4.519 5.781 0.281 4 0 "[ . 1]" 2
827 1 122 VAL H 1 123 LEU H 2.400 . 2.900 2.761 2.667 2.909 0.009 1 0 "[ . 1]" 2
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