NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
481502 |
1e10   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1e10
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 842
_Distance_constraint_stats_list.Viol_count 993
_Distance_constraint_stats_list.Viol_total 1072.070
_Distance_constraint_stats_list.Viol_max 0.986
_Distance_constraint_stats_list.Viol_rms 0.0298
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0032
_Distance_constraint_stats_list.Viol_average_violations_only 0.0540
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 PRO 0.019 0.016 20 0 "[ . 1 . 2]"
1 2 THR 0.062 0.030 16 0 "[ . 1 . 2]"
1 3 VAL 0.104 0.032 13 0 "[ . 1 . 2]"
1 4 GLU 0.076 0.022 7 0 "[ . 1 . 2]"
1 5 TYR 4.034 0.337 14 0 "[ . 1 . 2]"
1 6 LEU 0.343 0.080 13 0 "[ . 1 . 2]"
1 7 ASN 0.785 0.060 15 0 "[ . 1 . 2]"
1 8 TYR 1.941 0.604 13 1 "[ . 1 + . 2]"
1 9 GLU 2.015 0.677 3 1 "[ + . 1 . 2]"
1 10 THR 1.969 0.516 4 1 "[ +. 1 . 2]"
1 11 LEU 0.223 0.026 5 0 "[ . 1 . 2]"
1 12 ASP 0.109 0.016 3 0 "[ . 1 . 2]"
1 13 ASP 1.692 0.516 4 1 "[ +. 1 . 2]"
1 14 GLN 0.056 0.021 19 0 "[ . 1 . 2]"
1 15 GLY 0.019 0.016 6 0 "[ . 1 . 2]"
1 16 TRP 0.199 0.052 2 0 "[ . 1 . 2]"
1 17 ASP 0.147 0.052 2 0 "[ . 1 . 2]"
1 18 MET 0.045 0.043 18 0 "[ . 1 . 2]"
1 19 ASP 0.045 0.043 18 0 "[ . 1 . 2]"
1 20 ASP 0.001 0.001 6 0 "[ . 1 . 2]"
1 21 ASP 0.702 0.159 18 0 "[ . 1 . 2]"
1 22 ASP 0.593 0.073 18 0 "[ . 1 . 2]"
1 23 LEU 1.205 0.159 18 0 "[ . 1 . 2]"
1 24 PHE 1.952 0.121 13 0 "[ . 1 . 2]"
1 25 GLU 1.320 0.121 13 0 "[ . 1 . 2]"
1 26 LYS 0.472 0.047 13 0 "[ . 1 . 2]"
1 27 ALA 0.417 0.047 13 0 "[ . 1 . 2]"
1 28 ALA 0.135 0.021 8 0 "[ . 1 . 2]"
1 29 ASP 0.356 0.043 10 0 "[ . 1 . 2]"
1 30 ALA 0.810 0.072 14 0 "[ . 1 . 2]"
1 31 GLY 0.654 0.072 14 0 "[ . 1 . 2]"
1 32 LEU 0.027 0.015 18 0 "[ . 1 . 2]"
1 33 ASP 0.005 0.005 12 0 "[ . 1 . 2]"
1 34 GLY 0.230 0.059 5 0 "[ . 1 . 2]"
1 35 GLU 0.204 0.059 5 0 "[ . 1 . 2]"
1 36 ASP 0.868 0.086 10 0 "[ . 1 . 2]"
1 37 TYR 0.155 0.019 4 0 "[ . 1 . 2]"
1 38 GLY 3.350 0.337 14 0 "[ . 1 . 2]"
1 39 THR 0.065 0.030 20 0 "[ . 1 . 2]"
1 40 MET 1.370 0.366 1 0 "[ . 1 . 2]"
1 41 GLU 0.024 0.018 7 0 "[ . 1 . 2]"
1 42 VAL 0.060 0.024 10 0 "[ . 1 . 2]"
1 43 ALA 1.467 0.609 13 2 "[ . 1 + . -2]"
1 44 GLU 0.293 0.034 14 0 "[ . 1 . 2]"
1 45 GLY 0.008 0.004 18 0 "[ . 1 . 2]"
1 46 GLU 2.546 0.609 13 2 "[ . 1 + . -2]"
1 47 TYR 6.809 0.986 10 4 "[ * - + * . 2]"
1 48 ILE 2.180 0.559 10 1 "[ . + . 2]"
1 49 LEU 0.296 0.039 16 0 "[ . 1 . 2]"
1 50 GLU 0.074 0.023 17 0 "[ . 1 . 2]"
1 51 ALA 0.852 0.062 4 0 "[ . 1 . 2]"
1 52 ALA 2.727 0.366 1 0 "[ . 1 . 2]"
1 53 GLU 1.097 0.057 19 0 "[ . 1 . 2]"
1 54 ALA 0.473 0.050 16 0 "[ . 1 . 2]"
1 55 GLN 0.113 0.029 20 0 "[ . 1 . 2]"
1 56 GLY 0.000 0.000 14 0 "[ . 1 . 2]"
1 57 TYR 1.046 0.124 20 0 "[ . 1 . 2]"
1 58 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 TRP 1.539 0.191 20 0 "[ . 1 . 2]"
1 60 PRO 0.371 0.075 20 0 "[ . 1 . 2]"
1 72 ALA 0.230 0.057 19 0 "[ . 1 . 2]"
1 73 SER 0.007 0.007 6 0 "[ . 1 . 2]"
1 74 ILE 2.587 0.807 3 2 "[ -+ . 1 . 2]"
1 75 VAL 2.621 0.534 3 2 "[ + . 1- . 2]"
1 76 LYS 1.417 0.094 12 0 "[ . 1 . 2]"
1 77 GLU 0.091 0.029 6 0 "[ . 1 . 2]"
1 78 GLY 4.104 0.419 19 0 "[ . 1 . 2]"
1 79 GLU 0.152 0.043 14 0 "[ . 1 . 2]"
1 80 ILE 0.036 0.020 3 0 "[ . 1 . 2]"
1 81 ASP 1.182 0.486 18 0 "[ . 1 . 2]"
1 82 MET 0.063 0.035 5 0 "[ . 1 . 2]"
1 83 ASP 1.381 0.682 17 1 "[ . 1 . + 2]"
1 84 MET 1.319 0.682 17 1 "[ . 1 . + 2]"
1 85 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 LEU 0.482 0.482 9 0 "[ . 1 . 2]"
1 89 SER 0.059 0.029 19 0 "[ . 1 . 2]"
1 90 ASP 1.275 0.075 18 0 "[ . 1 . 2]"
1 91 GLU 1.841 0.075 18 0 "[ . 1 . 2]"
1 92 GLU 1.076 0.482 9 0 "[ . 1 . 2]"
1 93 VAL 0.303 0.045 17 0 "[ . 1 . 2]"
1 94 GLU 0.035 0.026 3 0 "[ . 1 . 2]"
1 95 GLU 0.120 0.019 4 0 "[ . 1 . 2]"
1 96 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 ASP 0.021 0.008 12 0 "[ . 1 . 2]"
1 98 VAL 1.230 0.086 11 0 "[ . 1 . 2]"
1 99 ARG 0.253 0.057 19 0 "[ . 1 . 2]"
1 104 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 SER 6.667 0.986 10 4 "[ * - + * . 2]"
1 106 PRO 0.011 0.004 20 0 "[ . 1 . 2]"
1 107 ALA 0.543 0.073 18 0 "[ . 1 . 2]"
1 108 ALA 0.529 0.073 18 0 "[ . 1 . 2]"
1 109 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 GLU 0.032 0.030 16 0 "[ . 1 . 2]"
1 111 VAL 4.122 0.419 19 0 "[ . 1 . 2]"
1 112 LYS 0.142 0.028 9 0 "[ . 1 . 2]"
1 113 ILE 4.743 0.807 3 3 "[ *+ . 1- . 2]"
1 114 VAL 0.649 0.075 5 0 "[ . 1 . 2]"
1 115 TYR 2.024 0.191 20 0 "[ . 1 . 2]"
1 116 ASN 2.562 0.604 13 1 "[ . 1 + . 2]"
1 117 ALA 1.457 0.921 5 1 "[ + 1 . 2]"
1 118 LYS 0.180 0.023 6 0 "[ . 1 . 2]"
1 119 HIS 3.135 0.677 3 1 "[ + . 1 . 2]"
1 120 LEU 0.153 0.023 17 0 "[ . 1 . 2]"
1 121 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 TYR 2.881 0.844 3 3 "[ + . -1 . *]"
1 123 LEU 4.012 0.921 5 4 "[ * + -1 . *]"
1 124 GLN 0.367 0.064 10 0 "[ . 1 . 2]"
1 125 ASN 0.367 0.064 10 0 "[ . 1 . 2]"
1 126 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 PRO HA 1 109 ASP HA 0.000 . 3.500 2.771 1.976 3.354 . 0 0 "[ . 1 . 2]" 1
2 1 2 THR HA 1 39 THR MG 0.000 . 5.000 3.967 3.251 4.708 . 0 0 "[ . 1 . 2]" 1
3 1 1 PRO HA 1 2 THR H 0.000 . 2.700 2.513 2.218 2.716 0.016 20 0 "[ . 1 . 2]" 1
4 1 2 THR H 1 109 ASP HA 0.000 . 3.500 3.165 2.840 3.491 . 0 0 "[ . 1 . 2]" 1
5 1 2 THR H 1 109 ASP QB 0.000 . 5.000 4.231 3.416 4.880 . 0 0 "[ . 1 . 2]" 1
6 1 2 THR H 1 110 GLU HA 0.000 . 3.500 3.367 3.101 3.530 0.030 16 0 "[ . 1 . 2]" 1
7 1 2 THR H 1 111 VAL H 0.000 . 5.000 4.362 4.032 4.816 . 0 0 "[ . 1 . 2]" 1
8 1 2 THR MG 1 3 VAL HA 0.000 . 5.000 3.817 3.379 4.513 . 0 0 "[ . 1 . 2]" 1
9 1 3 VAL HA 1 111 VAL HB 0.000 . 5.000 2.615 2.354 3.113 . 0 0 "[ . 1 . 2]" 1
10 1 3 VAL HA 1 111 VAL MG1 0.000 . 5.000 4.002 3.690 4.504 . 0 0 "[ . 1 . 2]" 1
11 1 3 VAL HA 1 111 VAL MG2 0.000 . 5.000 3.732 3.211 4.129 . 0 0 "[ . 1 . 2]" 1
12 1 2 THR HA 1 3 VAL H 0.000 . 2.700 2.244 2.208 2.309 . 0 0 "[ . 1 . 2]" 1
13 1 2 THR HB 1 3 VAL H 0.000 . 5.000 4.225 3.834 4.494 . 0 0 "[ . 1 . 2]" 1
14 1 2 THR MG 1 3 VAL H 0.000 . 5.000 2.671 1.914 3.451 . 0 0 "[ . 1 . 2]" 1
15 1 3 VAL H 1 4 GLU H 0.000 . 5.000 4.364 4.022 4.590 . 0 0 "[ . 1 . 2]" 1
16 1 3 VAL H 1 40 MET HB3 0.000 . 5.000 3.291 2.767 3.808 . 0 0 "[ . 1 . 2]" 1
17 1 3 VAL H 1 40 MET H 0.000 . 3.500 3.398 2.965 3.514 0.014 10 0 "[ . 1 . 2]" 1
18 1 3 VAL H 1 41 GLU HA 0.000 . 5.000 3.209 2.604 3.829 . 0 0 "[ . 1 . 2]" 1
19 1 3 VAL H 1 42 VAL QG 0.000 . 5.000 3.713 3.232 4.430 . 0 0 "[ . 1 . 2]" 1
20 1 2 THR MG 1 4 GLU HA 0.000 . 5.000 4.492 4.113 4.910 . 0 0 "[ . 1 . 2]" 1
21 1 4 GLU HA 1 39 THR MG 0.000 . 3.500 3.224 3.007 3.522 0.022 7 0 "[ . 1 . 2]" 1
22 1 4 GLU HB2 1 39 THR HA 0.000 . 5.000 3.886 3.412 4.309 . 0 0 "[ . 1 . 2]" 1
23 1 4 GLU HB3 1 24 PHE QD 0.000 . 5.000 2.653 1.939 3.201 . 0 0 "[ . 1 . 2]" 1
24 1 4 GLU HB3 1 24 PHE QE 0.000 . 5.000 2.679 2.137 3.180 . 0 0 "[ . 1 . 2]" 1
25 1 4 GLU HB3 1 24 PHE HZ 0.000 . 5.000 4.521 3.734 5.018 0.018 13 0 "[ . 1 . 2]" 1
26 1 4 GLU HB3 1 39 THR HA 0.000 . 5.000 4.568 4.288 4.867 . 0 0 "[ . 1 . 2]" 1
27 1 4 GLU QG 1 24 PHE QD 0.000 . 3.500 2.178 1.884 2.691 . 0 0 "[ . 1 . 2]" 1
28 1 4 GLU QG 1 24 PHE QE 0.000 . 3.500 3.279 2.872 3.508 0.008 9 0 "[ . 1 . 2]" 1
29 1 2 THR MG 1 4 GLU H 0.000 . 5.000 4.445 3.390 5.006 0.006 9 0 "[ . 1 . 2]" 1
30 1 3 VAL HA 1 4 GLU H 0.000 . 2.700 2.329 2.214 2.534 . 0 0 "[ . 1 . 2]" 1
31 1 3 VAL QG 1 4 GLU H 0.000 . 5.000 2.459 1.759 3.087 . 0 0 "[ . 1 . 2]" 1
32 1 4 GLU H 1 4 GLU QG 0.000 . 5.000 3.965 3.700 4.203 . 0 0 "[ . 1 . 2]" 1
33 1 4 GLU H 1 39 THR HA 0.000 . 5.000 4.541 4.209 4.913 . 0 0 "[ . 1 . 2]" 1
34 1 4 GLU H 1 111 VAL HB 0.000 . 5.000 4.109 3.579 4.499 . 0 0 "[ . 1 . 2]" 1
35 1 4 GLU H 1 112 LYS HA 0.000 . 3.500 2.793 2.412 3.276 . 0 0 "[ . 1 . 2]" 1
36 1 4 GLU H 1 113 ILE H 0.000 . 5.000 4.030 3.426 4.525 . 0 0 "[ . 1 . 2]" 1
37 1 5 TYR HA 1 24 PHE QE 0.000 . 3.500 3.299 2.887 3.535 0.035 20 0 "[ . 1 . 2]" 1
38 1 5 TYR HA 1 24 PHE HZ 0.000 . 5.000 4.222 3.577 4.700 . 0 0 "[ . 1 . 2]" 1
39 1 5 TYR HA 1 113 ILE H 0.000 . 3.500 3.326 3.049 3.503 0.003 11 0 "[ . 1 . 2]" 1
40 1 5 TYR HA 1 114 VAL HA 0.000 . 5.000 3.885 3.490 4.180 . 0 0 "[ . 1 . 2]" 1
41 1 3 VAL QG 1 5 TYR QD 0.000 . 5.000 4.315 3.438 4.686 . 0 0 "[ . 1 . 2]" 1
42 1 4 GLU HA 1 5 TYR QD 0.000 . 5.000 3.703 3.486 3.958 . 0 0 "[ . 1 . 2]" 1
43 1 5 TYR QD 1 40 MET HB3 0.000 . 5.000 3.675 3.362 4.060 . 0 0 "[ . 1 . 2]" 1
44 1 5 TYR QD 1 40 MET HB2 0.000 . 5.000 2.039 1.850 2.681 . 0 0 "[ . 1 . 2]" 1
45 1 5 TYR H 1 5 TYR QE 0.000 . 5.000 3.817 3.749 3.956 . 0 0 "[ . 1 . 2]" 1
46 1 5 TYR QE 1 38 GLY HA2 0.000 . 5.000 2.788 2.601 3.046 . 0 0 "[ . 1 . 2]" 1
47 1 5 TYR QE 1 40 MET HA 0.000 . 5.000 3.347 2.951 3.676 . 0 0 "[ . 1 . 2]" 1
48 1 5 TYR QE 1 40 MET HB2 0.000 . 5.000 3.937 3.582 4.507 . 0 0 "[ . 1 . 2]" 1
49 1 4 GLU HA 1 5 TYR H 0.000 . 2.700 2.224 2.208 2.259 . 0 0 "[ . 1 . 2]" 1
50 1 4 GLU QG 1 5 TYR H 0.000 . 5.000 3.302 3.053 3.754 . 0 0 "[ . 1 . 2]" 1
51 1 5 TYR H 1 5 TYR QD 0.000 . 5.000 2.229 2.067 2.610 . 0 0 "[ . 1 . 2]" 1
52 1 5 TYR H 1 38 GLY HA3 0.000 . 5.000 5.165 5.055 5.337 0.337 14 0 "[ . 1 . 2]" 1
53 1 5 TYR H 1 38 GLY H 0.000 . 3.500 3.447 3.229 3.517 0.017 15 0 "[ . 1 . 2]" 1
54 1 5 TYR H 1 39 THR HA 0.000 . 3.500 3.387 3.244 3.530 0.030 20 0 "[ . 1 . 2]" 1
55 1 5 TYR H 1 40 MET HA 0.000 . 5.000 5.023 4.996 5.055 0.055 1 0 "[ . 1 . 2]" 1
56 1 5 TYR H 1 40 MET H 0.000 . 5.000 3.159 2.888 3.462 . 0 0 "[ . 1 . 2]" 1
57 1 6 LEU HA 1 24 PHE QE 0.000 . 5.000 4.154 3.456 4.491 . 0 0 "[ . 1 . 2]" 1
58 1 6 LEU HA 1 37 TYR HA 0.000 . 2.700 2.278 2.119 2.478 . 0 0 "[ . 1 . 2]" 1
59 1 6 LEU HA 1 37 TYR HB2 0.000 . 3.500 3.046 2.700 3.247 . 0 0 "[ . 1 . 2]" 1
60 1 6 LEU HA 1 37 TYR QD 0.000 . 5.000 2.755 2.128 3.296 . 0 0 "[ . 1 . 2]" 1
61 1 6 LEU QB 1 24 PHE QE 0.000 . 3.500 2.331 2.083 2.595 . 0 0 "[ . 1 . 2]" 1
62 1 6 LEU QD 1 11 LEU HA 0.000 . 5.000 4.378 4.193 4.474 . 0 0 "[ . 1 . 2]" 1
63 1 6 LEU QD 1 23 LEU QD 0.000 . 3.500 2.310 1.760 2.547 . 0 0 "[ . 1 . 2]" 1
64 1 6 LEU QD 1 24 PHE HA 0.000 . 3.500 2.484 1.857 3.000 . 0 0 "[ . 1 . 2]" 1
65 1 6 LEU QD 1 24 PHE QD 0.000 . 5.000 2.876 2.613 3.121 . 0 0 "[ . 1 . 2]" 1
66 1 6 LEU QD 1 24 PHE QE 0.000 . 5.000 2.932 2.579 3.238 . 0 0 "[ . 1 . 2]" 1
67 1 6 LEU QD 1 24 PHE HZ 0.000 . 5.000 3.385 2.869 3.878 . 0 0 "[ . 1 . 2]" 1
68 1 6 LEU QD 1 27 ALA MB 0.000 . 3.500 2.712 2.282 3.050 . 0 0 "[ . 1 . 2]" 1
69 1 6 LEU HG 1 24 PHE H 0.000 . 5.000 4.892 4.653 5.080 0.080 13 0 "[ . 1 . 2]" 1
70 1 5 TYR HA 1 6 LEU H 0.000 . 2.700 2.237 2.205 2.278 . 0 0 "[ . 1 . 2]" 1
71 1 5 TYR HB2 1 6 LEU H 0.000 . 5.000 3.256 3.062 3.435 . 0 0 "[ . 1 . 2]" 1
72 1 5 TYR HB3 1 6 LEU H 0.000 . 5.000 4.260 4.171 4.360 . 0 0 "[ . 1 . 2]" 1
73 1 6 LEU H 1 24 PHE QE 0.000 . 3.500 3.297 2.781 3.520 0.020 16 0 "[ . 1 . 2]" 1
74 1 6 LEU H 1 24 PHE HZ 0.000 . 5.000 3.546 3.161 3.978 . 0 0 "[ . 1 . 2]" 1
75 1 6 LEU H 1 37 TYR HA 0.000 . 5.000 4.672 4.463 4.929 . 0 0 "[ . 1 . 2]" 1
76 1 6 LEU H 1 114 VAL HA 0.000 . 2.700 2.144 1.858 2.428 . 0 0 "[ . 1 . 2]" 1
77 1 6 LEU H 1 114 VAL QG 0.000 . 5.000 3.312 2.802 3.676 . 0 0 "[ . 1 . 2]" 1
78 1 6 LEU H 1 115 TYR QD 0.000 . 5.000 3.968 3.729 4.154 . 0 0 "[ . 1 . 2]" 1
79 1 7 ASN HD22 1 36 ASP HA 0.000 . 5.000 4.977 4.872 5.020 0.020 15 0 "[ . 1 . 2]" 1
80 1 6 LEU HA 1 7 ASN H 0.000 . 2.700 2.221 2.203 2.233 . 0 0 "[ . 1 . 2]" 1
81 1 6 LEU QB 1 7 ASN H 0.000 . 5.000 3.762 3.530 3.983 . 0 0 "[ . 1 . 2]" 1
82 1 6 LEU QD 1 7 ASN H 0.000 . 5.000 2.158 1.852 2.433 . 0 0 "[ . 1 . 2]" 1
83 1 7 ASN H 1 36 ASP HA 0.000 . 3.500 3.366 3.152 3.509 0.009 18 0 "[ . 1 . 2]" 1
84 1 7 ASN H 1 37 TYR HA 0.000 . 5.000 3.218 3.034 3.520 . 0 0 "[ . 1 . 2]" 1
85 1 7 ASN H 1 37 TYR QD 0.000 . 5.000 4.485 3.983 4.852 . 0 0 "[ . 1 . 2]" 1
86 1 7 ASN H 1 115 TYR QD 0.000 . 5.000 3.186 2.562 3.544 . 0 0 "[ . 1 . 2]" 1
87 1 7 ASN HA 1 8 TYR H 0.000 . 5.000 2.218 2.200 2.256 . 0 0 "[ . 1 . 2]" 1
88 1 8 TYR H 1 116 ASN HB3 0.000 . 3.500 3.273 2.827 4.104 0.604 13 1 "[ . 1 + . 2]" 1
89 1 8 TYR H 1 116 ASN HB2 0.000 . 5.000 3.309 2.729 3.713 . 0 0 "[ . 1 . 2]" 1
90 1 9 GLU HA 1 12 ASP QB 0.000 . 3.500 2.945 2.412 3.329 . 0 0 "[ . 1 . 2]" 1
91 1 7 ASN HA 1 9 GLU H 0.000 . 5.000 3.640 3.494 3.833 . 0 0 "[ . 1 . 2]" 1
92 1 7 ASN HD21 1 9 GLU H 0.000 . 5.000 4.008 2.570 4.768 . 0 0 "[ . 1 . 2]" 1
93 1 8 TYR HA 1 9 GLU H 0.000 . 5.000 3.509 3.448 3.555 . 0 0 "[ . 1 . 2]" 1
94 1 8 TYR HB3 1 9 GLU H 0.000 . 5.000 2.887 2.650 3.177 . 0 0 "[ . 1 . 2]" 1
95 1 8 TYR HB2 1 9 GLU H 0.000 . 5.000 4.116 3.920 4.304 . 0 0 "[ . 1 . 2]" 1
96 1 8 TYR H 1 9 GLU H 0.000 . 2.700 2.698 2.641 2.744 0.044 15 0 "[ . 1 . 2]" 1
97 1 9 GLU H 1 10 THR H 0.000 . 2.700 2.670 2.570 2.756 0.056 15 0 "[ . 1 . 2]" 1
98 1 9 GLU H 1 114 VAL QG 0.000 . 5.000 4.175 3.985 4.424 . 0 0 "[ . 1 . 2]" 1
99 1 9 GLU H 1 116 ASN HB3 0.000 . 5.000 3.676 2.958 4.428 . 0 0 "[ . 1 . 2]" 1
100 1 9 GLU H 1 119 HIS HB3 0.000 . 5.000 4.930 4.440 5.677 0.677 3 1 "[ + . 1 . 2]" 1
101 1 10 THR HA 1 13 ASP HB3 0.000 . 5.000 2.816 2.204 3.928 . 0 0 "[ . 1 . 2]" 1
102 1 10 THR HA 1 13 ASP HB2 0.000 . 3.500 3.236 1.994 4.016 0.516 4 1 "[ +. 1 . 2]" 1
103 1 10 THR HB 1 23 LEU QD 0.000 . 5.000 3.821 3.092 4.533 . 0 0 "[ . 1 . 2]" 1
104 1 10 THR HB 1 32 LEU QD 0.000 . 5.000 3.755 3.057 4.364 . 0 0 "[ . 1 . 2]" 1
105 1 7 ASN QB 1 10 THR H 0.000 . 3.500 2.816 2.412 3.399 . 0 0 "[ . 1 . 2]" 1
106 1 7 ASN HD22 1 10 THR H 0.000 . 3.500 3.255 2.481 3.514 0.014 5 0 "[ . 1 . 2]" 1
107 1 9 GLU HA 1 10 THR H 0.000 . 5.000 3.559 3.518 3.577 . 0 0 "[ . 1 . 2]" 1
108 1 10 THR H 1 11 LEU H 0.000 . 2.700 2.668 2.564 2.726 0.026 5 0 "[ . 1 . 2]" 1
109 1 11 LEU QD 1 23 LEU QD 0.000 . 3.500 1.930 1.665 2.577 . 0 0 "[ . 1 . 2]" 1
110 1 8 TYR HA 1 11 LEU H 0.000 . 3.500 3.404 3.139 3.521 0.021 5 0 "[ . 1 . 2]" 1
111 1 10 THR HA 1 11 LEU H 0.000 . 5.000 3.531 3.498 3.562 . 0 0 "[ . 1 . 2]" 1
112 1 10 THR HB 1 11 LEU H 0.000 . 5.000 2.751 2.578 2.883 . 0 0 "[ . 1 . 2]" 1
113 1 10 THR MG 1 11 LEU H 0.000 . 5.000 3.448 3.150 3.790 . 0 0 "[ . 1 . 2]" 1
114 1 11 LEU H 1 11 LEU QD 0.000 . 5.000 3.626 3.261 3.689 . 0 0 "[ . 1 . 2]" 1
115 1 11 LEU H 1 12 ASP H 0.000 . 2.700 2.661 2.539 2.716 0.016 7 0 "[ . 1 . 2]" 1
116 1 11 LEU H 1 13 ASP H 0.000 . 5.000 4.163 3.907 4.505 . 0 0 "[ . 1 . 2]" 1
117 1 11 LEU QB 1 12 ASP HA 0.000 . 5.000 4.213 3.883 4.521 . 0 0 "[ . 1 . 2]" 1
118 1 9 GLU HA 1 12 ASP H 0.000 . 3.500 3.410 3.160 3.516 0.016 3 0 "[ . 1 . 2]" 1
119 1 11 LEU HA 1 12 ASP H 0.000 . 5.000 3.572 3.546 3.585 . 0 0 "[ . 1 . 2]" 1
120 1 11 LEU QB 1 12 ASP H 0.000 . 5.000 2.460 2.216 2.653 . 0 0 "[ . 1 . 2]" 1
121 1 12 ASP H 1 13 ASP H 0.000 . 2.700 2.573 2.453 2.716 0.016 4 0 "[ . 1 . 2]" 1
122 1 12 ASP QB 1 13 ASP HA 0.000 . 5.000 3.947 3.696 4.305 . 0 0 "[ . 1 . 2]" 1
123 1 9 GLU HA 1 13 ASP H 0.000 . 5.000 3.673 3.141 4.133 . 0 0 "[ . 1 . 2]" 1
124 1 12 ASP QB 1 13 ASP H 0.000 . 5.000 2.394 2.161 2.601 . 0 0 "[ . 1 . 2]" 1
125 1 13 ASP H 1 14 GLN H 0.000 . 3.500 2.939 2.605 3.133 . 0 0 "[ . 1 . 2]" 1
126 1 14 GLN HB3 1 23 LEU QD 0.000 . 5.000 3.685 2.867 4.667 . 0 0 "[ . 1 . 2]" 1
127 1 10 THR MG 1 14 GLN HE21 0.000 . 5.000 3.581 2.433 4.809 . 0 0 "[ . 1 . 2]" 1
128 1 14 GLN HE21 1 30 ALA MB 0.000 . 5.000 4.191 3.335 4.863 . 0 0 "[ . 1 . 2]" 1
129 1 14 GLN HE21 1 32 LEU QD 0.000 . 5.000 3.326 1.877 4.411 . 0 0 "[ . 1 . 2]" 1
130 1 10 THR MG 1 14 GLN HE22 0.000 . 5.000 4.181 3.137 4.936 . 0 0 "[ . 1 . 2]" 1
131 1 14 GLN HE22 1 30 ALA MB 0.000 . 5.000 3.877 2.228 4.984 . 0 0 "[ . 1 . 2]" 1
132 1 14 GLN HE22 1 32 LEU QD 0.000 . 5.000 3.334 1.870 4.473 . 0 0 "[ . 1 . 2]" 1
133 1 10 THR HA 1 14 GLN H 0.000 . 3.500 3.390 3.099 3.521 0.021 19 0 "[ . 1 . 2]" 1
134 1 10 THR MG 1 14 GLN H 0.000 . 5.000 3.791 3.353 4.153 . 0 0 "[ . 1 . 2]" 1
135 1 11 LEU HA 1 14 GLN H 0.000 . 5.000 4.239 3.782 4.468 . 0 0 "[ . 1 . 2]" 1
136 1 13 ASP HA 1 14 GLN H 0.000 . 5.000 3.585 3.565 3.593 . 0 0 "[ . 1 . 2]" 1
137 1 13 ASP QB 1 14 GLN H 0.000 . 5.000 2.268 1.956 2.485 . 0 0 "[ . 1 . 2]" 1
138 1 14 GLN H 1 14 GLN QG 0.000 . 5.000 3.295 1.926 4.032 . 0 0 "[ . 1 . 2]" 1
139 1 12 ASP HA 1 15 GLY H 0.000 . 3.500 3.343 3.123 3.516 0.016 6 0 "[ . 1 . 2]" 1
140 1 13 ASP H 1 15 GLY H 0.000 . 5.000 3.845 3.690 4.151 . 0 0 "[ . 1 . 2]" 1
141 1 14 GLN HA 1 15 GLY H 0.000 . 5.000 3.466 3.376 3.551 . 0 0 "[ . 1 . 2]" 1
142 1 14 GLN HB3 1 15 GLY H 0.000 . 5.000 3.426 2.719 4.149 . 0 0 "[ . 1 . 2]" 1
143 1 14 GLN HB2 1 15 GLY H 0.000 . 5.000 3.510 2.623 4.143 . 0 0 "[ . 1 . 2]" 1
144 1 14 GLN QG 1 15 GLY H 0.000 . 5.000 4.216 3.835 4.612 . 0 0 "[ . 1 . 2]" 1
145 1 14 GLN H 1 15 GLY H 0.000 . 2.700 2.531 2.325 2.659 . 0 0 "[ . 1 . 2]" 1
146 1 15 GLY H 1 16 TRP H 0.000 . 2.700 2.589 2.267 2.703 0.003 5 0 "[ . 1 . 2]" 1
147 1 15 GLY QA 1 16 TRP HA 0.000 . 5.000 4.113 4.061 4.161 . 0 0 "[ . 1 . 2]" 1
148 1 16 TRP HA 1 17 ASP HB2 0.000 . 5.000 4.358 4.041 4.840 . 0 0 "[ . 1 . 2]" 1
149 1 16 TRP HA 1 21 ASP QB 0.000 . 5.000 3.938 2.728 4.755 . 0 0 "[ . 1 . 2]" 1
150 1 16 TRP HA 1 23 LEU QD 0.000 . 5.000 4.125 3.729 4.378 . 0 0 "[ . 1 . 2]" 1
151 1 11 LEU QD 1 16 TRP QB 0.000 . 3.500 2.340 1.886 2.725 . 0 0 "[ . 1 . 2]" 1
152 1 16 TRP QB 1 23 LEU QD 0.000 . 3.500 1.950 1.690 2.243 . 0 0 "[ . 1 . 2]" 1
153 1 11 LEU HA 1 16 TRP H 0.000 . 3.500 3.324 2.761 3.515 0.015 7 0 "[ . 1 . 2]" 1
154 1 11 LEU QD 1 16 TRP H 0.000 . 2.700 2.569 2.192 2.704 0.004 9 0 "[ . 1 . 2]" 1
155 1 12 ASP HA 1 16 TRP H 0.000 . 5.000 4.258 3.873 4.739 . 0 0 "[ . 1 . 2]" 1
156 1 14 GLN HB3 1 16 TRP H 0.000 . 5.000 3.378 2.672 4.566 . 0 0 "[ . 1 . 2]" 1
157 1 14 GLN HB2 1 16 TRP H 0.000 . 5.000 3.990 2.837 5.010 0.010 18 0 "[ . 1 . 2]" 1
158 1 14 GLN QG 1 16 TRP H 0.000 . 5.000 4.502 3.724 5.006 0.006 4 0 "[ . 1 . 2]" 1
159 1 14 GLN H 1 16 TRP H 0.000 . 5.000 4.217 3.821 4.678 . 0 0 "[ . 1 . 2]" 1
160 1 15 GLY QA 1 16 TRP H 0.000 . 5.000 2.739 2.622 2.870 . 0 0 "[ . 1 . 2]" 1
161 1 11 LEU QD 1 17 ASP H 0.000 . 5.000 3.530 2.625 4.157 . 0 0 "[ . 1 . 2]" 1
162 1 16 TRP HA 1 17 ASP H 0.000 . 2.700 2.618 2.282 2.752 0.052 2 0 "[ . 1 . 2]" 1
163 1 16 TRP QB 1 17 ASP H 0.000 . 5.000 2.347 1.916 3.640 . 0 0 "[ . 1 . 2]" 1
164 1 16 TRP HD1 1 17 ASP H 0.000 . 5.000 3.799 2.381 5.013 0.013 2 0 "[ . 1 . 2]" 1
165 1 16 TRP H 1 17 ASP H 0.000 . 5.000 4.516 4.375 4.592 . 0 0 "[ . 1 . 2]" 1
166 1 17 ASP H 1 18 MET H 0.000 . 5.000 4.530 4.418 4.623 . 0 0 "[ . 1 . 2]" 1
167 1 17 ASP H 1 23 LEU QD 0.000 . 5.000 3.511 2.651 4.431 . 0 0 "[ . 1 . 2]" 1
168 1 11 LEU QD 1 18 MET H 0.000 . 5.000 3.607 2.773 4.125 . 0 0 "[ . 1 . 2]" 1
169 1 17 ASP HB3 1 18 MET H 0.000 . 5.000 2.591 1.984 3.754 . 0 0 "[ . 1 . 2]" 1
170 1 18 MET H 1 19 ASP H 0.000 . 2.700 2.617 2.461 2.743 0.043 18 0 "[ . 1 . 2]" 1
171 1 17 ASP HA 1 19 ASP H 0.000 . 5.000 4.703 3.946 4.999 . 0 0 "[ . 1 . 2]" 1
172 1 17 ASP HB3 1 19 ASP H 0.000 . 5.000 2.999 2.339 3.244 . 0 0 "[ . 1 . 2]" 1
173 1 18 MET HA 1 19 ASP H 0.000 . 5.000 3.571 3.444 3.597 . 0 0 "[ . 1 . 2]" 1
174 1 18 MET QB 1 19 ASP H 0.000 . 5.000 2.479 2.179 3.062 . 0 0 "[ . 1 . 2]" 1
175 1 19 ASP H 1 20 ASP H 0.000 . 2.700 1.955 1.864 2.391 . 0 0 "[ . 1 . 2]" 1
176 1 17 ASP HB3 1 20 ASP HA 0.000 . 5.000 4.293 3.264 4.694 . 0 0 "[ . 1 . 2]" 1
177 1 17 ASP H 1 20 ASP H 0.000 . 5.000 4.566 3.189 5.001 0.001 6 0 "[ . 1 . 2]" 1
178 1 18 MET HA 1 20 ASP H 0.000 . 5.000 4.796 4.627 4.955 . 0 0 "[ . 1 . 2]" 1
179 1 18 MET QB 1 20 ASP H 0.000 . 5.000 4.132 3.854 4.945 . 0 0 "[ . 1 . 2]" 1
180 1 18 MET H 1 20 ASP H 0.000 . 5.000 3.526 3.295 4.437 . 0 0 "[ . 1 . 2]" 1
181 1 19 ASP HA 1 20 ASP H 0.000 . 5.000 3.305 2.912 3.568 . 0 0 "[ . 1 . 2]" 1
182 1 20 ASP HA 1 21 ASP H 0.000 . 5.000 3.579 3.478 3.595 . 0 0 "[ . 1 . 2]" 1
183 1 20 ASP QB 1 21 ASP H 0.000 . 5.000 2.160 1.840 2.568 . 0 0 "[ . 1 . 2]" 1
184 1 20 ASP H 1 21 ASP H 0.000 . 5.000 2.832 2.550 3.396 . 0 0 "[ . 1 . 2]" 1
185 1 21 ASP HA 1 22 ASP H 0.000 . 3.500 3.309 2.779 3.470 . 0 0 "[ . 1 . 2]" 1
186 1 21 ASP QB 1 22 ASP H 0.000 . 5.000 3.273 1.858 3.936 . 0 0 "[ . 1 . 2]" 1
187 1 21 ASP H 1 22 ASP H 0.000 . 3.500 2.725 2.522 3.545 0.045 18 0 "[ . 1 . 2]" 1
188 1 22 ASP H 1 23 LEU H 0.000 . 3.500 2.974 2.363 3.136 . 0 0 "[ . 1 . 2]" 1
189 1 11 LEU HA 1 23 LEU QD 0.000 . 5.000 2.205 1.685 2.886 . 0 0 "[ . 1 . 2]" 1
190 1 18 MET HA 1 23 LEU QD 0.000 . 5.000 3.760 2.653 4.909 . 0 0 "[ . 1 . 2]" 1
191 1 21 ASP HA 1 23 LEU H 0.000 . 5.000 5.032 4.980 5.159 0.159 18 0 "[ . 1 . 2]" 1
192 1 21 ASP QB 1 23 LEU H 0.000 . 5.000 3.412 3.058 4.356 . 0 0 "[ . 1 . 2]" 1
193 1 22 ASP HA 1 23 LEU H 0.000 . 2.700 2.725 2.684 2.773 0.073 18 0 "[ . 1 . 2]" 1
194 1 23 LEU H 1 23 LEU QD 0.000 . 5.000 2.600 1.861 3.525 . 0 0 "[ . 1 . 2]" 1
195 1 23 LEU H 1 24 PHE H 0.000 . 3.500 3.036 2.816 3.408 . 0 0 "[ . 1 . 2]" 1
196 1 23 LEU H 1 25 GLU H 0.000 . 5.000 4.146 3.929 4.308 . 0 0 "[ . 1 . 2]" 1
197 1 24 PHE HA 1 27 ALA MB 0.000 . 3.500 3.141 2.636 3.393 . 0 0 "[ . 1 . 2]" 1
198 1 6 LEU QB 1 24 PHE QD 0.000 . 5.000 3.434 2.711 3.832 . 0 0 "[ . 1 . 2]" 1
199 1 23 LEU QB 1 24 PHE QD 0.000 . 5.000 3.692 2.917 4.165 . 0 0 "[ . 1 . 2]" 1
200 1 24 PHE QD 1 27 ALA MB 0.000 . 5.000 4.736 4.394 4.977 . 0 0 "[ . 1 . 2]" 1
201 1 24 PHE QD 1 37 TYR QD 0.000 . 5.000 3.587 2.902 4.141 . 0 0 "[ . 1 . 2]" 1
202 1 24 PHE QD 1 37 TYR QE 0.000 . 2.700 2.453 1.896 2.673 . 0 0 "[ . 1 . 2]" 1
203 1 23 LEU QB 1 24 PHE QE 0.000 . 5.000 4.553 3.942 4.803 . 0 0 "[ . 1 . 2]" 1
204 1 24 PHE QE 1 76 LYS HB3 0.000 . 3.500 2.868 2.276 3.497 . 0 0 "[ . 1 . 2]" 1
205 1 24 PHE QE 1 76 LYS HB2 0.000 . 3.500 2.403 2.046 2.838 . 0 0 "[ . 1 . 2]" 1
206 1 24 PHE QE 1 76 LYS H 0.000 . 5.000 4.271 3.977 4.638 . 0 0 "[ . 1 . 2]" 1
207 1 24 PHE QE 1 113 ILE HA 0.000 . 5.000 4.452 4.171 4.959 . 0 0 "[ . 1 . 2]" 1
208 1 24 PHE QE 1 114 VAL QG 0.000 . 5.000 3.255 2.329 4.230 . 0 0 "[ . 1 . 2]" 1
209 1 6 LEU QD 1 24 PHE H 0.000 . 5.000 2.615 2.314 2.760 . 0 0 "[ . 1 . 2]" 1
210 1 22 ASP HA 1 24 PHE H 0.000 . 5.000 3.658 3.287 4.228 . 0 0 "[ . 1 . 2]" 1
211 1 23 LEU QB 1 24 PHE H 0.000 . 5.000 2.386 1.896 2.688 . 0 0 "[ . 1 . 2]" 1
212 1 24 PHE H 1 24 PHE QD 0.000 . 5.000 2.547 1.958 2.899 . 0 0 "[ . 1 . 2]" 1
213 1 24 PHE H 1 25 GLU QB 0.000 . 5.000 4.475 4.335 4.823 . 0 0 "[ . 1 . 2]" 1
214 1 24 PHE H 1 25 GLU H 0.000 . 2.700 2.763 2.709 2.821 0.121 13 0 "[ . 1 . 2]" 1
215 1 6 LEU QB 1 24 PHE HZ 0.000 . 5.000 2.468 2.129 2.741 . 0 0 "[ . 1 . 2]" 1
216 1 24 PHE HZ 1 76 LYS HB3 0.000 . 5.000 3.943 3.303 4.837 . 0 0 "[ . 1 . 2]" 1
217 1 24 PHE HZ 1 76 LYS HB2 0.000 . 5.000 2.976 2.355 3.817 . 0 0 "[ . 1 . 2]" 1
218 1 24 PHE HZ 1 114 VAL HA 0.000 . 5.000 3.494 2.985 4.041 . 0 0 "[ . 1 . 2]" 1
219 1 24 PHE HZ 1 114 VAL HB 0.000 . 5.000 4.741 3.911 5.023 0.023 18 0 "[ . 1 . 2]" 1
220 1 24 PHE HZ 1 114 VAL QG 0.000 . 5.000 2.821 1.973 3.915 . 0 0 "[ . 1 . 2]" 1
221 1 25 GLU HA 1 28 ALA MB 0.000 . 3.500 3.220 2.983 3.502 0.002 20 0 "[ . 1 . 2]" 1
222 1 22 ASP HA 1 25 GLU H 0.000 . 5.000 3.894 3.565 4.173 . 0 0 "[ . 1 . 2]" 1
223 1 22 ASP HB3 1 25 GLU H 0.000 . 5.000 3.154 2.923 3.451 . 0 0 "[ . 1 . 2]" 1
224 1 24 PHE HA 1 25 GLU H 0.000 . 3.500 3.486 3.448 3.518 0.018 7 0 "[ . 1 . 2]" 1
225 1 24 PHE HB3 1 25 GLU H 0.000 . 5.000 3.672 3.487 3.884 . 0 0 "[ . 1 . 2]" 1
226 1 24 PHE HB2 1 25 GLU H 0.000 . 5.000 2.966 2.791 3.127 . 0 0 "[ . 1 . 2]" 1
227 1 24 PHE QD 1 25 GLU H 0.000 . 5.000 4.514 4.190 4.653 . 0 0 "[ . 1 . 2]" 1
228 1 25 GLU H 1 27 ALA H 0.000 . 5.000 3.477 3.306 3.687 . 0 0 "[ . 1 . 2]" 1
229 1 26 LYS HA 1 29 ASP HB3 0.000 . 5.000 4.142 2.755 4.996 . 0 0 "[ . 1 . 2]" 1
230 1 26 LYS HA 1 29 ASP HB2 0.000 . 5.000 3.197 2.635 3.823 . 0 0 "[ . 1 . 2]" 1
231 1 22 ASP HB3 1 26 LYS H 0.000 . 5.000 3.352 2.455 4.423 . 0 0 "[ . 1 . 2]" 1
232 1 22 ASP HB2 1 26 LYS H 0.000 . 5.000 4.195 3.183 4.928 . 0 0 "[ . 1 . 2]" 1
233 1 23 LEU H 1 26 LYS H 0.000 . 5.000 4.547 4.276 4.737 . 0 0 "[ . 1 . 2]" 1
234 1 24 PHE H 1 26 LYS H 0.000 . 5.000 4.449 4.233 4.690 . 0 0 "[ . 1 . 2]" 1
235 1 25 GLU QB 1 26 LYS H 0.000 . 5.000 2.453 2.191 2.667 . 0 0 "[ . 1 . 2]" 1
236 1 25 GLU H 1 26 LYS H 0.000 . 2.700 2.311 2.077 2.584 . 0 0 "[ . 1 . 2]" 1
237 1 26 LYS H 1 27 ALA H 0.000 . 2.700 2.598 2.442 2.722 0.022 7 0 "[ . 1 . 2]" 1
238 1 23 LEU HA 1 27 ALA H 0.000 . 5.000 3.156 2.175 3.893 . 0 0 "[ . 1 . 2]" 1
239 1 24 PHE HA 1 27 ALA H 0.000 . 5.000 4.253 3.846 4.535 . 0 0 "[ . 1 . 2]" 1
240 1 26 LYS HA 1 27 ALA H 0.000 . 3.500 3.508 3.456 3.547 0.047 13 0 "[ . 1 . 2]" 1
241 1 26 LYS HB3 1 27 ALA H 0.000 . 5.000 3.118 2.647 3.893 . 0 0 "[ . 1 . 2]" 1
242 1 26 LYS HB2 1 27 ALA H 0.000 . 5.000 3.472 2.930 4.030 . 0 0 "[ . 1 . 2]" 1
243 1 27 ALA H 1 28 ALA H 0.000 . 2.700 2.650 2.528 2.710 0.010 19 0 "[ . 1 . 2]" 1
244 1 28 ALA HA 1 37 TYR QE 0.000 . 2.700 2.106 1.889 2.592 . 0 0 "[ . 1 . 2]" 1
245 1 27 ALA HA 1 28 ALA H 0.000 . 5.000 3.492 3.360 3.576 . 0 0 "[ . 1 . 2]" 1
246 1 27 ALA MB 1 28 ALA H 0.000 . 5.000 2.774 2.361 3.141 . 0 0 "[ . 1 . 2]" 1
247 1 28 ALA H 1 37 TYR QE 0.000 . 5.000 3.234 2.711 3.955 . 0 0 "[ . 1 . 2]" 1
248 1 26 LYS HA 1 29 ASP H 0.000 . 3.500 3.416 3.227 3.535 0.035 17 0 "[ . 1 . 2]" 1
249 1 28 ALA HA 1 29 ASP H 0.000 . 3.500 3.484 3.348 3.521 0.021 8 0 "[ . 1 . 2]" 1
250 1 28 ALA MB 1 29 ASP H 0.000 . 5.000 2.868 2.690 3.203 . 0 0 "[ . 1 . 2]" 1
251 1 27 ALA HA 1 30 ALA MB 0.000 . 3.500 2.640 2.301 3.148 . 0 0 "[ . 1 . 2]" 1
252 1 27 ALA HA 1 30 ALA H 0.000 . 3.500 3.412 3.133 3.517 0.017 17 0 "[ . 1 . 2]" 1
253 1 29 ASP HA 1 30 ALA H 0.000 . 3.500 3.417 3.182 3.543 0.043 10 0 "[ . 1 . 2]" 1
254 1 29 ASP HB3 1 30 ALA H 0.000 . 5.000 3.491 2.626 4.401 . 0 0 "[ . 1 . 2]" 1
255 1 29 ASP HB2 1 30 ALA H 0.000 . 5.000 3.593 2.872 4.224 . 0 0 "[ . 1 . 2]" 1
256 1 29 ASP H 1 30 ALA H 0.000 . 2.700 2.356 1.954 2.537 . 0 0 "[ . 1 . 2]" 1
257 1 29 ASP H 1 31 GLY H 0.000 . 5.000 4.181 3.685 4.875 . 0 0 "[ . 1 . 2]" 1
258 1 30 ALA HA 1 31 GLY H 0.000 . 3.500 3.514 3.428 3.572 0.072 14 0 "[ . 1 . 2]" 1
259 1 30 ALA MB 1 31 GLY H 0.000 . 5.000 2.603 1.862 3.041 . 0 0 "[ . 1 . 2]" 1
260 1 30 ALA H 1 31 GLY H 0.000 . 2.700 2.399 2.032 2.680 . 0 0 "[ . 1 . 2]" 1
261 1 27 ALA HA 1 32 LEU H 0.000 . 5.000 4.498 3.844 5.000 0.000 8 0 "[ . 1 . 2]" 1
262 1 31 GLY QA 1 32 LEU H 0.000 . 5.000 2.656 2.409 2.839 . 0 0 "[ . 1 . 2]" 1
263 1 31 GLY H 1 32 LEU H 0.000 . 2.700 2.518 2.140 2.711 0.011 10 0 "[ . 1 . 2]" 1
264 1 32 LEU H 1 33 ASP H 0.000 . 5.000 4.633 4.535 4.686 . 0 0 "[ . 1 . 2]" 1
265 1 32 LEU H 1 37 TYR HB3 0.000 . 5.000 4.483 3.816 5.015 0.015 18 0 "[ . 1 . 2]" 1
266 1 33 ASP HA 1 36 ASP QB 0.000 . 5.000 4.693 4.179 4.989 . 0 0 "[ . 1 . 2]" 1
267 1 32 LEU HA 1 33 ASP H 0.000 . 2.700 2.492 2.251 2.642 . 0 0 "[ . 1 . 2]" 1
268 1 32 LEU HB3 1 33 ASP H 0.000 . 3.500 2.603 2.192 3.449 . 0 0 "[ . 1 . 2]" 1
269 1 32 LEU HB2 1 33 ASP H 0.000 . 5.000 3.875 3.254 4.441 . 0 0 "[ . 1 . 2]" 1
270 1 32 LEU QD 1 33 ASP H 0.000 . 5.000 2.800 1.907 3.589 . 0 0 "[ . 1 . 2]" 1
271 1 33 ASP H 1 36 ASP H 0.000 . 5.000 4.685 4.429 4.909 . 0 0 "[ . 1 . 2]" 1
272 1 33 ASP H 1 37 TYR H 0.000 . 5.000 4.617 4.138 5.005 0.005 12 0 "[ . 1 . 2]" 1
273 1 33 ASP HA 1 34 GLY H 0.000 . 2.700 2.306 2.210 2.444 . 0 0 "[ . 1 . 2]" 1
274 1 33 ASP HB3 1 34 GLY H 0.000 . 5.000 3.338 2.701 4.193 . 0 0 "[ . 1 . 2]" 1
275 1 33 ASP HB2 1 34 GLY H 0.000 . 5.000 4.289 4.032 4.523 . 0 0 "[ . 1 . 2]" 1
276 1 33 ASP HA 1 35 GLU H 0.000 . 5.000 3.967 3.672 4.274 . 0 0 "[ . 1 . 2]" 1
277 1 33 ASP HB2 1 35 GLU H 0.000 . 5.000 4.257 3.613 4.698 . 0 0 "[ . 1 . 2]" 1
278 1 34 GLY HA3 1 35 GLU H 0.000 . 3.500 3.497 3.464 3.559 0.059 5 0 "[ . 1 . 2]" 1
279 1 34 GLY HA2 1 35 GLU H 0.000 . 5.000 2.996 2.772 3.069 . 0 0 "[ . 1 . 2]" 1
280 1 34 GLY H 1 35 GLU H 0.000 . 3.500 2.592 2.295 2.863 . 0 0 "[ . 1 . 2]" 1
281 1 35 GLU H 1 35 GLU QG 0.000 . 5.000 3.337 1.838 3.998 . 0 0 "[ . 1 . 2]" 1
282 1 35 GLU H 1 36 ASP QB 0.000 . 5.000 4.285 4.028 4.499 . 0 0 "[ . 1 . 2]" 1
283 1 35 GLU H 1 36 ASP H 0.000 . 2.700 2.627 2.476 2.706 0.006 5 0 "[ . 1 . 2]" 1
284 1 7 ASN HA 1 36 ASP HA 0.000 . 5.000 3.714 3.456 4.020 . 0 0 "[ . 1 . 2]" 1
285 1 7 ASN QB 1 36 ASP HA 0.000 . 2.700 1.938 1.840 2.256 . 0 0 "[ . 1 . 2]" 1
286 1 36 ASP HA 1 115 TYR QE 0.000 . 5.000 1.911 1.854 2.061 . 0 0 "[ . 1 . 2]" 1
287 1 34 GLY HA3 1 36 ASP H 0.000 . 5.000 3.515 3.387 3.757 . 0 0 "[ . 1 . 2]" 1
288 1 35 GLU HA 1 36 ASP H 0.000 . 5.000 3.367 3.249 3.450 . 0 0 "[ . 1 . 2]" 1
289 1 35 GLU QB 1 36 ASP H 0.000 . 5.000 3.269 3.016 3.860 . 0 0 "[ . 1 . 2]" 1
290 1 36 ASP H 1 115 TYR QE 0.000 . 5.000 4.805 4.686 4.942 . 0 0 "[ . 1 . 2]" 1
291 1 5 TYR QD 1 37 TYR HA 0.000 . 5.000 2.997 2.791 3.405 . 0 0 "[ . 1 . 2]" 1
292 1 6 LEU QD 1 37 TYR HB2 0.000 . 3.500 2.060 1.846 2.538 . 0 0 "[ . 1 . 2]" 1
293 1 7 ASN H 1 37 TYR HB2 0.000 . 3.500 3.355 2.866 3.519 0.019 4 0 "[ . 1 . 2]" 1
294 1 6 LEU QB 1 37 TYR QD 0.000 . 5.000 3.325 2.174 4.091 . 0 0 "[ . 1 . 2]" 1
295 1 6 LEU QD 1 37 TYR QD 0.000 . 3.500 2.662 1.928 3.068 . 0 0 "[ . 1 . 2]" 1
296 1 24 PHE HA 1 37 TYR QD 0.000 . 5.000 3.522 2.971 4.131 . 0 0 "[ . 1 . 2]" 1
297 1 27 ALA MB 1 37 TYR QD 0.000 . 3.500 2.634 2.399 2.944 . 0 0 "[ . 1 . 2]" 1
298 1 28 ALA HA 1 37 TYR QD 0.000 . 5.000 3.837 3.093 4.407 . 0 0 "[ . 1 . 2]" 1
299 1 32 LEU HB2 1 37 TYR QD 0.000 . 5.000 2.856 1.913 4.118 . 0 0 "[ . 1 . 2]" 1
300 1 4 GLU QG 1 37 TYR QE 0.000 . 5.000 2.595 1.857 3.326 . 0 0 "[ . 1 . 2]" 1
301 1 6 LEU QD 1 37 TYR QE 0.000 . 5.000 3.614 3.164 4.067 . 0 0 "[ . 1 . 2]" 1
302 1 24 PHE HA 1 37 TYR QE 0.000 . 5.000 2.306 1.858 2.882 . 0 0 "[ . 1 . 2]" 1
303 1 24 PHE HB3 1 37 TYR QE 0.000 . 5.000 3.611 2.862 4.207 . 0 0 "[ . 1 . 2]" 1
304 1 27 ALA MB 1 37 TYR QE 0.000 . 3.500 2.728 2.448 3.229 . 0 0 "[ . 1 . 2]" 1
305 1 28 ALA MB 1 37 TYR QE 0.000 . 5.000 2.731 1.984 3.314 . 0 0 "[ . 1 . 2]" 1
306 1 5 TYR QD 1 37 TYR H 0.000 . 5.000 4.426 4.044 4.817 . 0 0 "[ . 1 . 2]" 1
307 1 6 LEU QD 1 37 TYR H 0.000 . 5.000 4.463 4.231 4.828 . 0 0 "[ . 1 . 2]" 1
308 1 32 LEU HB2 1 37 TYR H 0.000 . 5.000 4.469 3.520 4.981 . 0 0 "[ . 1 . 2]" 1
309 1 32 LEU QD 1 37 TYR H 0.000 . 5.000 4.209 3.227 4.773 . 0 0 "[ . 1 . 2]" 1
310 1 34 GLY HA3 1 37 TYR H 0.000 . 3.500 3.457 3.245 3.513 0.013 4 0 "[ . 1 . 2]" 1
311 1 34 GLY HA2 1 37 TYR H 0.000 . 5.000 4.917 4.742 4.996 . 0 0 "[ . 1 . 2]" 1
312 1 36 ASP HA 1 37 TYR H 0.000 . 5.000 3.587 3.573 3.600 . 0 0 "[ . 1 . 2]" 1
313 1 36 ASP QB 1 37 TYR H 0.000 . 5.000 2.385 2.216 2.565 . 0 0 "[ . 1 . 2]" 1
314 1 36 ASP H 1 37 TYR H 0.000 . 2.700 2.230 2.032 2.508 . 0 0 "[ . 1 . 2]" 1
315 1 37 TYR H 1 37 TYR QD 0.000 . 5.000 4.113 3.986 4.245 . 0 0 "[ . 1 . 2]" 1
316 1 37 TYR H 1 38 GLY H 0.000 . 5.000 4.431 4.197 4.510 . 0 0 "[ . 1 . 2]" 1
317 1 6 LEU HA 1 38 GLY H 0.000 . 5.000 3.845 3.666 4.018 . 0 0 "[ . 1 . 2]" 1
318 1 6 LEU QD 1 38 GLY H 0.000 . 5.000 4.428 4.107 4.697 . 0 0 "[ . 1 . 2]" 1
319 1 37 TYR HA 1 38 GLY H 0.000 . 2.700 2.261 2.213 2.323 . 0 0 "[ . 1 . 2]" 1
320 1 37 TYR QD 1 38 GLY H 0.000 . 5.000 2.707 2.163 3.438 . 0 0 "[ . 1 . 2]" 1
321 1 38 GLY H 1 39 THR H 0.000 . 5.000 4.338 4.283 4.395 . 0 0 "[ . 1 . 2]" 1
322 1 4 GLU HA 1 39 THR HA 0.000 . 2.700 1.999 1.848 2.196 . 0 0 "[ . 1 . 2]" 1
323 1 4 GLU QG 1 39 THR HA 0.000 . 5.000 2.337 1.865 3.222 . 0 0 "[ . 1 . 2]" 1
324 1 39 THR HA 1 40 MET H 0.000 . 2.700 2.217 2.204 2.239 . 0 0 "[ . 1 . 2]" 1
325 1 4 GLU HA 1 39 THR H 0.000 . 5.000 4.645 4.376 4.838 . 0 0 "[ . 1 . 2]" 1
326 1 38 GLY HA3 1 39 THR H 0.000 . 5.000 2.469 2.347 2.638 . 0 0 "[ . 1 . 2]" 1
327 1 38 GLY HA2 1 39 THR H 0.000 . 5.000 2.768 2.588 2.920 . 0 0 "[ . 1 . 2]" 1
328 1 39 THR MG 1 40 MET HA 0.000 . 5.000 4.553 4.099 4.965 . 0 0 "[ . 1 . 2]" 1
329 1 40 MET HB2 1 52 ALA MB 0.000 . 5.000 4.648 4.119 5.015 0.015 3 0 "[ . 1 . 2]" 1
330 1 40 MET ME 1 52 ALA HA 0.000 . 3.500 3.234 2.251 3.502 0.002 17 0 "[ . 1 . 2]" 1
331 1 40 MET ME 1 52 ALA H 0.000 . 3.500 2.883 2.075 3.506 0.006 14 0 "[ . 1 . 2]" 1
332 1 40 MET ME 1 59 TRP HZ2 0.000 . 3.500 2.915 1.872 3.496 . 0 0 "[ . 1 . 2]" 1
333 1 2 THR MG 1 40 MET H 0.000 . 5.000 3.854 3.424 4.335 . 0 0 "[ . 1 . 2]" 1
334 1 3 VAL HB 1 40 MET H 0.000 . 5.000 3.758 3.083 5.032 0.032 13 0 "[ . 1 . 2]" 1
335 1 4 GLU HA 1 40 MET H 0.000 . 3.500 2.400 2.173 2.676 . 0 0 "[ . 1 . 2]" 1
336 1 5 TYR QD 1 40 MET H 0.000 . 5.000 2.994 2.688 3.451 . 0 0 "[ . 1 . 2]" 1
337 1 39 THR HB 1 40 MET H 0.000 . 5.000 4.111 3.787 4.432 . 0 0 "[ . 1 . 2]" 1
338 1 39 THR MG 1 40 MET H 0.000 . 5.000 2.938 2.513 3.251 . 0 0 "[ . 1 . 2]" 1
339 1 2 THR MG 1 41 GLU HA 0.000 . 5.000 3.394 1.855 4.296 . 0 0 "[ . 1 . 2]" 1
340 1 3 VAL QG 1 41 GLU HA 0.000 . 5.000 4.429 3.969 4.790 . 0 0 "[ . 1 . 2]" 1
341 1 41 GLU HA 1 42 VAL QG 0.000 . 5.000 3.506 3.175 4.015 . 0 0 "[ . 1 . 2]" 1
342 1 40 MET HA 1 41 GLU H 0.000 . 2.700 2.337 2.217 2.530 . 0 0 "[ . 1 . 2]" 1
343 1 40 MET HB3 1 41 GLU H 0.000 . 5.000 4.021 3.077 4.321 . 0 0 "[ . 1 . 2]" 1
344 1 40 MET HG3 1 41 GLU H 0.000 . 5.000 4.328 3.249 5.018 0.018 7 0 "[ . 1 . 2]" 1
345 1 40 MET HG2 1 41 GLU H 0.000 . 5.000 3.839 2.285 4.969 . 0 0 "[ . 1 . 2]" 1
346 1 41 GLU H 1 42 VAL QG 0.000 . 5.000 3.841 3.210 4.427 . 0 0 "[ . 1 . 2]" 1
347 1 42 VAL QG 1 51 ALA MB 0.000 . 3.500 1.781 1.620 2.019 . 0 0 "[ . 1 . 2]" 1
348 1 2 THR HA 1 42 VAL H 0.000 . 5.000 3.163 2.580 3.990 . 0 0 "[ . 1 . 2]" 1
349 1 3 VAL HB 1 42 VAL H 0.000 . 5.000 4.790 3.952 5.007 0.007 13 0 "[ . 1 . 2]" 1
350 1 3 VAL H 1 42 VAL H 0.000 . 5.000 3.797 3.118 4.260 . 0 0 "[ . 1 . 2]" 1
351 1 40 MET HB3 1 42 VAL H 0.000 . 5.000 4.877 4.530 5.024 0.024 10 0 "[ . 1 . 2]" 1
352 1 41 GLU HA 1 42 VAL H 0.000 . 2.700 2.229 2.206 2.263 . 0 0 "[ . 1 . 2]" 1
353 1 41 GLU QB 1 42 VAL H 0.000 . 5.000 3.739 3.422 3.999 . 0 0 "[ . 1 . 2]" 1
354 1 42 VAL HA 1 43 ALA H 0.000 . 2.700 2.266 2.209 2.486 . 0 0 "[ . 1 . 2]" 1
355 1 42 VAL QG 1 43 ALA H 0.000 . 5.000 2.965 2.367 3.416 . 0 0 "[ . 1 . 2]" 1
356 1 43 ALA H 1 46 GLU HB3 0.000 . 5.000 3.445 2.509 4.082 . 0 0 "[ . 1 . 2]" 1
357 1 43 ALA H 1 46 GLU HB2 0.000 . 3.500 3.274 2.719 4.109 0.609 13 2 "[ . 1 + . -2]" 1
358 1 43 ALA H 1 46 GLU H 0.000 . 5.000 4.785 4.364 5.008 0.008 13 0 "[ . 1 . 2]" 1
359 1 43 ALA HA 1 44 GLU H 0.000 . 2.700 2.298 2.214 2.439 . 0 0 "[ . 1 . 2]" 1
360 1 43 ALA MB 1 44 GLU H 0.000 . 5.000 2.981 2.661 3.412 . 0 0 "[ . 1 . 2]" 1
361 1 43 ALA H 1 44 GLU H 0.000 . 5.000 4.647 4.483 4.701 . 0 0 "[ . 1 . 2]" 1
362 1 44 GLU H 1 44 GLU QG 0.000 . 5.000 3.045 1.931 3.951 . 0 0 "[ . 1 . 2]" 1
363 1 43 ALA MB 1 45 GLY H 0.000 . 5.000 4.917 4.722 5.004 0.004 18 0 "[ . 1 . 2]" 1
364 1 44 GLU HA 1 45 GLY H 0.000 . 2.700 2.209 2.206 2.212 . 0 0 "[ . 1 . 2]" 1
365 1 44 GLU QB 1 45 GLY H 0.000 . 5.000 3.678 3.497 3.945 . 0 0 "[ . 1 . 2]" 1
366 1 44 GLU QG 1 45 GLY H 0.000 . 5.000 3.721 2.823 4.428 . 0 0 "[ . 1 . 2]" 1
367 1 45 GLY H 1 46 GLU HB2 0.000 . 5.000 4.398 3.945 4.889 . 0 0 "[ . 1 . 2]" 1
368 1 45 GLY H 1 46 GLU H 0.000 . 3.500 2.183 1.986 2.430 . 0 0 "[ . 1 . 2]" 1
369 1 42 VAL QG 1 46 GLU H 0.000 . 3.500 3.346 3.088 3.496 . 0 0 "[ . 1 . 2]" 1
370 1 43 ALA MB 1 46 GLU H 0.000 . 5.000 3.858 3.364 4.454 . 0 0 "[ . 1 . 2]" 1
371 1 44 GLU HA 1 46 GLU H 0.000 . 3.500 3.511 3.466 3.534 0.034 14 0 "[ . 1 . 2]" 1
372 1 45 GLY HA2 1 46 GLU H 0.000 . 5.000 3.307 3.123 3.384 . 0 0 "[ . 1 . 2]" 1
373 1 46 GLU H 1 105 SER HA 0.000 . 5.000 4.666 4.032 5.017 0.017 8 0 "[ . 1 . 2]" 1
374 1 46 GLU H 1 105 SER HB3 0.000 . 5.000 4.170 2.799 5.482 0.482 16 0 "[ . 1 . 2]" 1
375 1 47 TYR HA 1 48 ILE HG13 0.000 . 5.000 4.321 3.624 5.559 0.559 10 1 "[ . + . 2]" 1
376 1 47 TYR QD 1 105 SER HA 0.000 . 5.000 4.262 3.598 4.657 . 0 0 "[ . 1 . 2]" 1
377 1 47 TYR QD 1 105 SER HB2 0.000 . 5.000 4.917 2.957 5.986 0.986 10 4 "[ * - + * . 2]" 1
378 1 46 GLU HA 1 47 TYR H 0.000 . 3.500 2.239 2.210 2.339 . 0 0 "[ . 1 . 2]" 1
379 1 46 GLU HB3 1 47 TYR H 0.000 . 5.000 3.823 3.000 4.303 . 0 0 "[ . 1 . 2]" 1
380 1 46 GLU H 1 47 TYR H 0.000 . 5.000 4.442 4.170 4.643 . 0 0 "[ . 1 . 2]" 1
381 1 47 TYR H 1 48 ILE H 0.000 . 5.000 4.598 4.459 4.704 . 0 0 "[ . 1 . 2]" 1
382 1 40 MET ME 1 48 ILE HA 0.000 . 5.000 3.232 2.333 5.008 0.008 3 0 "[ . 1 . 2]" 1
383 1 48 ILE HA 1 51 ALA MB 0.000 . 3.500 2.803 2.238 3.239 . 0 0 "[ . 1 . 2]" 1
384 1 42 VAL QG 1 48 ILE H 0.000 . 5.000 3.746 3.086 4.544 . 0 0 "[ . 1 . 2]" 1
385 1 47 TYR HA 1 48 ILE H 0.000 . 5.000 2.237 2.199 2.356 . 0 0 "[ . 1 . 2]" 1
386 1 47 TYR HB2 1 48 ILE H 0.000 . 5.000 4.159 3.823 4.525 . 0 0 "[ . 1 . 2]" 1
387 1 48 ILE H 1 48 ILE MD 0.000 . 5.000 2.974 1.915 3.576 . 0 0 "[ . 1 . 2]" 1
388 1 48 ILE H 1 48 ILE HG13 0.000 . 5.000 2.449 1.857 3.461 . 0 0 "[ . 1 . 2]" 1
389 1 48 ILE H 1 48 ILE HG12 0.000 . 5.000 3.142 1.890 3.791 . 0 0 "[ . 1 . 2]" 1
390 1 48 ILE H 1 105 SER HA 0.000 . 5.000 3.309 2.393 3.794 . 0 0 "[ . 1 . 2]" 1
391 1 49 LEU HA 1 52 ALA MB 0.000 . 3.500 2.813 2.268 3.438 . 0 0 "[ . 1 . 2]" 1
392 1 47 TYR HB3 1 50 GLU H 0.000 . 5.000 3.303 2.532 3.685 . 0 0 "[ . 1 . 2]" 1
393 1 50 GLU H 1 51 ALA MB 0.000 . 5.000 4.156 3.988 4.264 . 0 0 "[ . 1 . 2]" 1
394 1 51 ALA HA 1 54 ALA MB 0.000 . 5.000 3.070 2.610 3.623 . 0 0 "[ . 1 . 2]" 1
395 1 42 VAL QG 1 51 ALA H 0.000 . 5.000 3.493 2.952 4.082 . 0 0 "[ . 1 . 2]" 1
396 1 48 ILE HA 1 51 ALA H 0.000 . 3.500 3.427 3.161 3.519 0.019 18 0 "[ . 1 . 2]" 1
397 1 50 GLU HA 1 51 ALA H 0.000 . 5.000 3.587 3.575 3.597 . 0 0 "[ . 1 . 2]" 1
398 1 50 GLU QB 1 51 ALA H 0.000 . 5.000 2.303 2.098 2.472 . 0 0 "[ . 1 . 2]" 1
399 1 50 GLU H 1 51 ALA H 0.000 . 2.700 2.662 2.551 2.723 0.023 17 0 "[ . 1 . 2]" 1
400 1 51 ALA H 1 53 GLU H 0.000 . 5.000 4.097 3.919 4.351 . 0 0 "[ . 1 . 2]" 1
401 1 52 ALA HA 1 55 GLN HB2 0.000 . 5.000 2.756 2.291 3.387 . 0 0 "[ . 1 . 2]" 1
402 1 52 ALA HA 1 55 GLN QG 0.000 . 3.500 3.015 2.452 3.516 0.016 16 0 "[ . 1 . 2]" 1
403 1 52 ALA HA 1 57 TYR HB2 0.000 . 3.500 3.479 3.372 3.531 0.031 12 0 "[ . 1 . 2]" 1
404 1 40 MET ME 1 52 ALA MB 0.000 . 3.500 1.801 1.637 1.978 . 0 0 "[ . 1 . 2]" 1
405 1 52 ALA MB 1 59 TRP HE1 0.000 . 3.500 2.031 1.841 2.346 . 0 0 "[ . 1 . 2]" 1
406 1 40 MET HG2 1 52 ALA H 0.000 . 5.000 4.562 4.013 5.366 0.366 1 0 "[ . 1 . 2]" 1
407 1 42 VAL QG 1 52 ALA H 0.000 . 5.000 3.841 3.264 4.256 . 0 0 "[ . 1 . 2]" 1
408 1 48 ILE HA 1 52 ALA H 0.000 . 5.000 3.945 3.657 4.342 . 0 0 "[ . 1 . 2]" 1
409 1 49 LEU HA 1 52 ALA H 0.000 . 5.000 3.750 3.424 4.190 . 0 0 "[ . 1 . 2]" 1
410 1 50 GLU H 1 52 ALA H 0.000 . 5.000 3.927 3.684 4.297 . 0 0 "[ . 1 . 2]" 1
411 1 51 ALA HA 1 52 ALA H 0.000 . 3.500 3.536 3.513 3.562 0.062 4 0 "[ . 1 . 2]" 1
412 1 51 ALA MB 1 52 ALA H 0.000 . 5.000 2.560 2.282 2.807 . 0 0 "[ . 1 . 2]" 1
413 1 52 ALA H 1 53 GLU H 0.000 . 2.700 2.487 2.413 2.622 . 0 0 "[ . 1 . 2]" 1
414 1 52 ALA MB 1 53 GLU HA 0.000 . 5.000 3.795 3.744 3.878 . 0 0 "[ . 1 . 2]" 1
415 1 53 GLU HA 1 57 TYR H 0.000 . 3.500 3.191 2.797 3.507 0.007 1 0 "[ . 1 . 2]" 1
416 1 52 ALA MB 1 53 GLU QB 0.000 . 5.000 3.923 3.710 4.234 . 0 0 "[ . 1 . 2]" 1
417 1 50 GLU HA 1 53 GLU H 0.000 . 5.000 3.504 3.184 3.795 . 0 0 "[ . 1 . 2]" 1
418 1 52 ALA HA 1 53 GLU H 0.000 . 3.500 3.530 3.491 3.557 0.057 19 0 "[ . 1 . 2]" 1
419 1 52 ALA MB 1 53 GLU H 0.000 . 5.000 2.685 2.478 2.907 . 0 0 "[ . 1 . 2]" 1
420 1 53 GLU H 1 54 ALA H 0.000 . 3.500 2.655 2.542 2.763 . 0 0 "[ . 1 . 2]" 1
421 1 53 GLU H 1 55 GLN H 0.000 . 5.000 4.004 3.833 4.309 . 0 0 "[ . 1 . 2]" 1
422 1 53 GLU H 1 57 TYR HB2 0.000 . 5.000 4.139 3.804 4.644 . 0 0 "[ . 1 . 2]" 1
423 1 51 ALA HA 1 54 ALA H 0.000 . 5.000 3.803 3.556 4.083 . 0 0 "[ . 1 . 2]" 1
424 1 52 ALA H 1 54 ALA H 0.000 . 5.000 4.038 3.781 4.358 . 0 0 "[ . 1 . 2]" 1
425 1 53 GLU HA 1 54 ALA H 0.000 . 3.500 3.523 3.486 3.550 0.050 16 0 "[ . 1 . 2]" 1
426 1 53 GLU QB 1 54 ALA H 0.000 . 5.000 2.701 2.425 2.912 . 0 0 "[ . 1 . 2]" 1
427 1 54 ALA H 1 55 GLN H 0.000 . 2.700 2.554 2.454 2.661 . 0 0 "[ . 1 . 2]" 1
428 1 52 ALA HA 1 55 GLN H 0.000 . 3.500 3.439 3.244 3.516 0.016 15 0 "[ . 1 . 2]" 1
429 1 53 GLU HA 1 55 GLN H 0.000 . 5.000 3.777 3.629 4.126 . 0 0 "[ . 1 . 2]" 1
430 1 54 ALA MB 1 55 GLN H 0.000 . 5.000 3.022 2.730 3.270 . 0 0 "[ . 1 . 2]" 1
431 1 55 GLN H 1 55 GLN HG2 0.000 . 5.000 3.118 2.147 4.127 . 0 0 "[ . 1 . 2]" 1
432 1 55 GLN H 1 56 GLY H 0.000 . 2.700 2.196 2.071 2.417 . 0 0 "[ . 1 . 2]" 1
433 1 55 GLN H 1 57 TYR QD 0.000 . 5.000 4.347 3.195 4.825 . 0 0 "[ . 1 . 2]" 1
434 1 55 GLN H 1 57 TYR H 0.000 . 3.500 3.438 3.233 3.529 0.029 20 0 "[ . 1 . 2]" 1
435 1 52 ALA HA 1 56 GLY H 0.000 . 5.000 4.604 4.162 4.996 . 0 0 "[ . 1 . 2]" 1
436 1 53 GLU HA 1 56 GLY H 0.000 . 3.500 3.334 3.174 3.500 0.000 14 0 "[ . 1 . 2]" 1
437 1 54 ALA HA 1 56 GLY H 0.000 . 5.000 4.295 3.841 4.767 . 0 0 "[ . 1 . 2]" 1
438 1 54 ALA H 1 56 GLY H 0.000 . 5.000 4.126 3.938 4.312 . 0 0 "[ . 1 . 2]" 1
439 1 55 GLN HA 1 56 GLY H 0.000 . 5.000 3.492 3.354 3.557 . 0 0 "[ . 1 . 2]" 1
440 1 55 GLN HB2 1 56 GLY H 0.000 . 3.500 2.971 2.635 3.371 . 0 0 "[ . 1 . 2]" 1
441 1 55 GLN HB3 1 56 GLY H 0.000 . 5.000 3.803 3.287 4.213 . 0 0 "[ . 1 . 2]" 1
442 1 56 GLY H 1 57 TYR HB2 0.000 . 5.000 4.038 3.728 4.292 . 0 0 "[ . 1 . 2]" 1
443 1 56 GLY H 1 57 TYR QD 0.000 . 5.000 4.031 3.139 4.363 . 0 0 "[ . 1 . 2]" 1
444 1 56 GLY H 1 57 TYR H 0.000 . 2.700 1.981 1.851 2.386 . 0 0 "[ . 1 . 2]" 1
445 1 52 ALA MB 1 57 TYR HB2 0.000 . 3.500 1.995 1.853 2.221 . 0 0 "[ . 1 . 2]" 1
446 1 57 TYR HB2 1 59 TRP HE1 0.000 . 2.700 2.200 1.866 2.824 0.124 20 0 "[ . 1 . 2]" 1
447 1 52 ALA MB 1 57 TYR HB3 0.000 . 3.500 2.860 2.406 3.254 . 0 0 "[ . 1 . 2]" 1
448 1 57 TYR HB3 1 59 TRP HE1 0.000 . 3.500 2.429 1.862 3.159 . 0 0 "[ . 1 . 2]" 1
449 1 35 GLU HA 1 57 TYR QD 0.000 . 5.000 2.910 2.151 4.308 . 0 0 "[ . 1 . 2]" 1
450 1 35 GLU QB 1 57 TYR QD 0.000 . 5.000 4.415 3.054 5.001 0.001 20 0 "[ . 1 . 2]" 1
451 1 52 ALA HA 1 57 TYR QD 0.000 . 5.000 2.189 1.862 3.158 . 0 0 "[ . 1 . 2]" 1
452 1 52 ALA MB 1 57 TYR QD 0.000 . 2.700 1.862 1.790 2.290 . 0 0 "[ . 1 . 2]" 1
453 1 55 GLN HB2 1 57 TYR QD 0.000 . 5.000 3.047 1.862 3.687 . 0 0 "[ . 1 . 2]" 1
454 1 55 GLN HB3 1 57 TYR QD 0.000 . 5.000 3.822 3.114 4.522 . 0 0 "[ . 1 . 2]" 1
455 1 35 GLU HA 1 57 TYR QE 0.000 . 5.000 3.188 2.249 5.009 0.009 20 0 "[ . 1 . 2]" 1
456 1 52 ALA MB 1 57 TYR QE 0.000 . 3.500 3.512 3.373 3.572 0.072 17 0 "[ . 1 . 2]" 1
457 1 55 GLN HB2 1 57 TYR QE 0.000 . 5.000 3.101 2.364 3.751 . 0 0 "[ . 1 . 2]" 1
458 1 55 GLN HB3 1 57 TYR QE 0.000 . 5.000 2.966 2.389 3.915 . 0 0 "[ . 1 . 2]" 1
459 1 52 ALA HA 1 57 TYR H 0.000 . 5.000 4.253 3.854 4.420 . 0 0 "[ . 1 . 2]" 1
460 1 52 ALA MB 1 57 TYR H 0.000 . 5.000 3.795 3.494 3.992 . 0 0 "[ . 1 . 2]" 1
461 1 56 GLY HA3 1 57 TYR H 0.000 . 5.000 3.117 2.870 3.400 . 0 0 "[ . 1 . 2]" 1
462 1 56 GLY HA2 1 57 TYR H 0.000 . 5.000 3.426 3.193 3.545 . 0 0 "[ . 1 . 2]" 1
463 1 57 TYR H 1 57 TYR QD 0.000 . 5.000 2.897 2.402 3.365 . 0 0 "[ . 1 . 2]" 1
464 1 57 TYR HA 1 58 ASP H 0.000 . 5.000 2.265 2.210 2.435 . 0 0 "[ . 1 . 2]" 1
465 1 57 TYR HB2 1 58 ASP H 0.000 . 5.000 4.271 3.876 4.502 . 0 0 "[ . 1 . 2]" 1
466 1 57 TYR HB3 1 58 ASP H 0.000 . 5.000 3.520 2.651 4.088 . 0 0 "[ . 1 . 2]" 1
467 1 57 TYR QD 1 58 ASP H 0.000 . 5.000 3.979 3.341 4.213 . 0 0 "[ . 1 . 2]" 1
468 1 57 TYR H 1 58 ASP H 0.000 . 5.000 4.462 4.150 4.683 . 0 0 "[ . 1 . 2]" 1
469 1 59 TRP HA 1 115 TYR QE 0.000 . 5.000 3.665 2.944 4.558 . 0 0 "[ . 1 . 2]" 1
470 1 49 LEU QB 1 59 TRP HD1 0.000 . 5.000 4.992 4.782 5.039 0.039 16 0 "[ . 1 . 2]" 1
471 1 52 ALA MB 1 59 TRP HD1 0.000 . 5.000 4.102 2.877 4.444 . 0 0 "[ . 1 . 2]" 1
472 1 5 TYR HB2 1 59 TRP HH2 0.000 . 3.500 3.181 2.672 3.570 0.070 20 0 "[ . 1 . 2]" 1
473 1 5 TYR HB3 1 59 TRP HH2 0.000 . 5.000 3.235 2.464 4.554 . 0 0 "[ . 1 . 2]" 1
474 1 57 TYR HB3 1 59 TRP HH2 0.000 . 5.000 4.931 3.614 5.042 0.042 17 0 "[ . 1 . 2]" 1
475 1 58 ASP HA 1 59 TRP H 0.000 . 2.700 2.309 2.212 2.574 . 0 0 "[ . 1 . 2]" 1
476 1 58 ASP HB3 1 59 TRP H 0.000 . 5.000 3.779 2.996 4.519 . 0 0 "[ . 1 . 2]" 1
477 1 59 TRP H 1 59 TRP HD1 0.000 . 3.500 2.583 1.975 3.436 . 0 0 "[ . 1 . 2]" 1
478 1 5 TYR HB2 1 59 TRP HZ2 0.000 . 5.000 4.191 3.394 4.953 . 0 0 "[ . 1 . 2]" 1
479 1 5 TYR HB3 1 59 TRP HZ2 0.000 . 5.000 4.045 3.270 4.771 . 0 0 "[ . 1 . 2]" 1
480 1 5 TYR QD 1 59 TRP HZ2 0.000 . 5.000 4.726 3.453 5.027 0.027 12 0 "[ . 1 . 2]" 1
481 1 52 ALA MB 1 59 TRP HZ2 0.000 . 5.000 2.354 1.756 3.535 . 0 0 "[ . 1 . 2]" 1
482 1 57 TYR HB3 1 59 TRP HZ2 0.000 . 5.000 2.930 2.671 3.223 . 0 0 "[ . 1 . 2]" 1
483 1 57 TYR QD 1 59 TRP HZ2 0.000 . 5.000 3.277 1.872 4.316 . 0 0 "[ . 1 . 2]" 1
484 1 72 ALA HA 1 73 SER H 0.000 . 5.000 2.459 2.218 3.081 . 0 0 "[ . 1 . 2]" 1
485 1 72 ALA HA 1 98 VAL QG 0.000 . 5.000 3.175 2.757 3.682 . 0 0 "[ . 1 . 2]" 1
486 1 72 ALA HA 1 117 ALA MB 0.000 . 5.000 2.767 1.901 4.044 . 0 0 "[ . 1 . 2]" 1
487 1 72 ALA MB 1 118 LYS QG 0.000 . 5.000 4.247 2.868 4.875 . 0 0 "[ . 1 . 2]" 1
488 1 72 ALA MB 1 73 SER HA 0.000 . 5.000 4.135 3.968 4.214 . 0 0 "[ . 1 . 2]" 1
489 1 73 SER HA 1 113 ILE MD 0.000 . 5.000 3.913 2.317 4.593 . 0 0 "[ . 1 . 2]" 1
490 1 73 SER HA 1 113 ILE HG12 0.000 . 5.000 4.213 3.276 4.986 . 0 0 "[ . 1 . 2]" 1
491 1 73 SER HA 1 115 TYR HA 0.000 . 5.000 3.128 2.235 3.619 . 0 0 "[ . 1 . 2]" 1
492 1 73 SER HA 1 117 ALA MB 0.000 . 5.000 2.446 1.870 3.437 . 0 0 "[ . 1 . 2]" 1
493 1 73 SER HA 1 117 ALA H 0.000 . 5.000 3.415 2.890 4.025 . 0 0 "[ . 1 . 2]" 1
494 1 74 ILE HA 1 75 VAL MG1 0.000 . 5.000 3.612 3.441 4.661 . 0 0 "[ . 1 . 2]" 1
495 1 74 ILE HA 1 97 ASP QB 0.000 . 5.000 2.417 2.282 2.723 . 0 0 "[ . 1 . 2]" 1
496 1 74 ILE HA 1 98 VAL HA 0.000 . 3.500 2.786 2.486 2.906 . 0 0 "[ . 1 . 2]" 1
497 1 74 ILE HA 1 113 ILE MD 0.000 . 5.000 4.137 3.384 4.968 . 0 0 "[ . 1 . 2]" 1
498 1 74 ILE HA 1 113 ILE HG13 0.000 . 5.000 4.295 3.829 5.807 0.807 3 2 "[ -+ . 1 . 2]" 1
499 1 74 ILE HB 1 114 VAL H 0.000 . 3.500 2.788 2.555 3.133 . 0 0 "[ . 1 . 2]" 1
500 1 74 ILE MD 1 98 VAL HA 0.000 . 2.700 2.706 2.613 2.774 0.074 12 0 "[ . 1 . 2]" 1
501 1 73 SER HA 1 74 ILE H 0.000 . 2.700 2.463 2.208 2.707 0.007 6 0 "[ . 1 . 2]" 1
502 1 73 SER QB 1 74 ILE H 0.000 . 5.000 2.774 2.010 3.637 . 0 0 "[ . 1 . 2]" 1
503 1 74 ILE H 1 97 ASP QB 0.000 . 5.000 4.795 4.703 4.858 . 0 0 "[ . 1 . 2]" 1
504 1 74 ILE H 1 113 ILE HA 0.000 . 5.000 4.318 3.915 4.806 . 0 0 "[ . 1 . 2]" 1
505 1 74 ILE H 1 113 ILE MD 0.000 . 3.500 3.274 2.335 3.521 0.021 19 0 "[ . 1 . 2]" 1
506 1 74 ILE H 1 114 VAL HB 0.000 . 3.500 3.140 2.331 3.517 0.017 19 0 "[ . 1 . 2]" 1
507 1 74 ILE H 1 114 VAL H 0.000 . 2.700 2.530 1.914 2.743 0.043 7 0 "[ . 1 . 2]" 1
508 1 74 ILE H 1 115 TYR HA 0.000 . 5.000 4.211 3.552 4.568 . 0 0 "[ . 1 . 2]" 1
509 1 74 ILE H 1 117 ALA MB 0.000 . 5.000 3.739 2.873 4.454 . 0 0 "[ . 1 . 2]" 1
510 1 74 ILE MG 1 75 VAL HA 0.000 . 5.000 4.578 4.253 4.853 . 0 0 "[ . 1 . 2]" 1
511 1 75 VAL HA 1 77 GLU H 0.000 . 3.500 3.480 3.387 3.529 0.029 6 0 "[ . 1 . 2]" 1
512 1 75 VAL HA 1 113 ILE HB 0.000 . 3.500 2.145 1.884 2.459 . 0 0 "[ . 1 . 2]" 1
513 1 75 VAL HA 1 113 ILE HG13 0.000 . 2.700 2.662 2.336 3.234 0.534 3 2 "[ + . 1- . 2]" 1
514 1 75 VAL HA 1 113 ILE HG12 0.000 . 5.000 3.598 1.891 4.051 . 0 0 "[ . 1 . 2]" 1
515 1 75 VAL HA 1 113 ILE MG 0.000 . 5.000 3.738 3.569 3.874 . 0 0 "[ . 1 . 2]" 1
516 1 74 ILE HA 1 75 VAL H 0.000 . 2.700 2.395 2.300 2.565 . 0 0 "[ . 1 . 2]" 1
517 1 74 ILE MG 1 75 VAL H 0.000 . 5.000 3.655 3.423 3.909 . 0 0 "[ . 1 . 2]" 1
518 1 75 VAL H 1 97 ASP QB 0.000 . 5.000 2.962 2.346 3.413 . 0 0 "[ . 1 . 2]" 1
519 1 75 VAL H 1 98 VAL HA 0.000 . 3.500 3.525 3.451 3.586 0.086 11 0 "[ . 1 . 2]" 1
520 1 75 VAL H 1 113 ILE MD 0.000 . 5.000 2.816 2.065 4.610 . 0 0 "[ . 1 . 2]" 1
521 1 74 ILE MG 1 76 LYS HA 0.000 . 5.000 3.825 3.541 4.015 . 0 0 "[ . 1 . 2]" 1
522 1 75 VAL MG1 1 76 LYS HA 0.000 . 5.000 4.107 3.793 4.241 . 0 0 "[ . 1 . 2]" 1
523 1 75 VAL MG2 1 76 LYS HA 0.000 . 5.000 4.267 3.943 5.067 0.067 11 0 "[ . 1 . 2]" 1
524 1 75 VAL HA 1 76 LYS H 0.000 . 2.700 2.225 2.211 2.245 . 0 0 "[ . 1 . 2]" 1
525 1 75 VAL MG1 1 76 LYS H 0.000 . 5.000 4.016 3.515 4.130 . 0 0 "[ . 1 . 2]" 1
526 1 75 VAL MG2 1 76 LYS H 0.000 . 5.000 2.972 2.698 3.292 . 0 0 "[ . 1 . 2]" 1
527 1 76 LYS H 1 77 GLU H 0.000 . 2.700 2.378 2.289 2.476 . 0 0 "[ . 1 . 2]" 1
528 1 76 LYS H 1 112 LYS H 0.000 . 5.000 4.269 4.073 4.413 . 0 0 "[ . 1 . 2]" 1
529 1 76 LYS H 1 113 ILE HB 0.000 . 5.000 3.425 3.276 3.615 . 0 0 "[ . 1 . 2]" 1
530 1 76 LYS H 1 113 ILE H 0.000 . 3.500 3.567 3.533 3.594 0.094 12 0 "[ . 1 . 2]" 1
531 1 76 LYS H 1 114 VAL H 0.000 . 5.000 3.834 3.633 4.060 . 0 0 "[ . 1 . 2]" 1
532 1 75 VAL MG2 1 77 GLU HA 0.000 . 5.000 3.616 3.273 4.762 . 0 0 "[ . 1 . 2]" 1
533 1 75 VAL MG2 1 77 GLU H 0.000 . 5.000 2.148 1.845 2.877 . 0 0 "[ . 1 . 2]" 1
534 1 76 LYS HA 1 77 GLU H 0.000 . 5.000 3.410 3.383 3.448 . 0 0 "[ . 1 . 2]" 1
535 1 76 LYS HB2 1 77 GLU H 0.000 . 5.000 3.779 3.209 4.141 . 0 0 "[ . 1 . 2]" 1
536 1 77 GLU H 1 112 LYS H 0.000 . 3.500 3.011 2.835 3.239 . 0 0 "[ . 1 . 2]" 1
537 1 77 GLU H 1 113 ILE HA 0.000 . 5.000 4.017 3.961 4.082 . 0 0 "[ . 1 . 2]" 1
538 1 78 GLY HA3 1 108 ALA MB 0.000 . 3.500 2.727 2.213 3.243 . 0 0 "[ . 1 . 2]" 1
539 1 78 GLY HA3 1 112 LYS H 0.000 . 5.000 4.761 4.359 4.996 . 0 0 "[ . 1 . 2]" 1
540 1 77 GLU HA 1 78 GLY H 0.000 . 5.000 2.375 2.209 2.655 . 0 0 "[ . 1 . 2]" 1
541 1 77 GLU HB3 1 78 GLY H 0.000 . 5.000 3.276 2.415 4.058 . 0 0 "[ . 1 . 2]" 1
542 1 78 GLY H 1 111 VAL HA 0.000 . 5.000 4.379 3.799 4.940 . 0 0 "[ . 1 . 2]" 1
543 1 75 VAL MG1 1 79 GLU HA 0.000 . 5.000 4.745 4.064 5.043 0.043 14 0 "[ . 1 . 2]" 1
544 1 75 VAL MG2 1 79 GLU HA 0.000 . 5.000 3.521 3.100 4.197 . 0 0 "[ . 1 . 2]" 1
545 1 79 GLU HA 1 80 ILE HB 0.000 . 5.000 4.520 4.260 4.728 . 0 0 "[ . 1 . 2]" 1
546 1 79 GLU HA 1 80 ILE HG13 0.000 . 5.000 3.556 3.078 4.381 . 0 0 "[ . 1 . 2]" 1
547 1 79 GLU HA 1 111 VAL MG1 0.000 . 5.000 3.783 3.216 4.229 . 0 0 "[ . 1 . 2]" 1
548 1 78 GLY HA3 1 79 GLU H 0.000 . 3.500 2.804 2.388 3.019 . 0 0 "[ . 1 . 2]" 1
549 1 78 GLY HA2 1 79 GLU H 0.000 . 5.000 2.451 2.282 2.861 . 0 0 "[ . 1 . 2]" 1
550 1 79 GLU H 1 79 GLU QG 0.000 . 5.000 3.776 2.119 4.238 . 0 0 "[ . 1 . 2]" 1
551 1 79 GLU H 1 80 ILE HG13 0.000 . 5.000 4.195 3.581 4.945 . 0 0 "[ . 1 . 2]" 1
552 1 79 GLU H 1 107 ALA H 0.000 . 5.000 4.160 3.588 4.669 . 0 0 "[ . 1 . 2]" 1
553 1 79 GLU H 1 108 ALA MB 0.000 . 2.700 2.128 1.856 2.617 . 0 0 "[ . 1 . 2]" 1
554 1 79 GLU H 1 111 VAL HA 0.000 . 5.000 4.154 3.549 4.730 . 0 0 "[ . 1 . 2]" 1
555 1 79 GLU H 1 111 VAL MG1 0.000 . 5.000 2.528 1.947 3.581 . 0 0 "[ . 1 . 2]" 1
556 1 80 ILE HA 1 106 PRO HA 0.000 . 2.700 2.285 1.896 2.702 0.002 13 0 "[ . 1 . 2]" 1
557 1 80 ILE HA 1 111 VAL MG2 0.000 . 5.000 4.395 3.988 4.842 . 0 0 "[ . 1 . 2]" 1
558 1 79 GLU HA 1 80 ILE H 0.000 . 2.700 2.292 2.213 2.480 . 0 0 "[ . 1 . 2]" 1
559 1 80 ILE H 1 99 ARG HE 0.000 . 5.000 3.575 2.145 4.940 . 0 0 "[ . 1 . 2]" 1
560 1 80 ILE HA 1 81 ASP H 0.000 . 2.700 2.332 2.228 2.553 . 0 0 "[ . 1 . 2]" 1
561 1 80 ILE HG12 1 81 ASP H 0.000 . 5.000 4.432 4.180 4.809 . 0 0 "[ . 1 . 2]" 1
562 1 80 ILE MG 1 81 ASP H 0.000 . 5.000 2.172 1.822 2.554 . 0 0 "[ . 1 . 2]" 1
563 1 81 ASP H 1 105 SER H 0.000 . 3.500 3.348 2.889 3.507 0.007 15 0 "[ . 1 . 2]" 1
564 1 81 ASP H 1 106 PRO HA 0.000 . 3.500 3.312 2.861 3.504 0.004 20 0 "[ . 1 . 2]" 1
565 1 81 ASP H 1 107 ALA MB 0.000 . 5.000 3.225 2.193 4.065 . 0 0 "[ . 1 . 2]" 1
566 1 81 ASP H 1 107 ALA H 0.000 . 5.000 3.575 2.939 4.448 . 0 0 "[ . 1 . 2]" 1
567 1 80 ILE MG 1 82 MET HA 0.000 . 5.000 4.451 3.708 4.742 . 0 0 "[ . 1 . 2]" 1
568 1 82 MET HA 1 104 GLY QA 0.000 . 3.500 2.624 1.945 3.245 . 0 0 "[ . 1 . 2]" 1
569 1 81 ASP HA 1 82 MET H 0.000 . 2.700 2.288 2.209 2.500 . 0 0 "[ . 1 . 2]" 1
570 1 82 MET HA 1 83 ASP H 0.000 . 2.700 2.504 2.230 2.735 0.035 5 0 "[ . 1 . 2]" 1
571 1 83 ASP H 1 104 GLY QA 0.000 . 5.000 4.133 3.393 4.693 . 0 0 "[ . 1 . 2]" 1
572 1 83 ASP HA 1 84 MET H 0.000 . 2.700 2.446 2.214 2.704 0.004 1 0 "[ . 1 . 2]" 1
573 1 83 ASP HB2 1 84 MET H 0.000 . 5.000 3.849 2.345 4.410 . 0 0 "[ . 1 . 2]" 1
574 1 83 ASP HB3 1 84 MET H 0.000 . 3.500 3.085 2.291 4.182 0.682 17 1 "[ . 1 . + 2]" 1
575 1 84 MET HA 1 85 GLN H 0.000 . 2.700 2.296 2.208 2.616 . 0 0 "[ . 1 . 2]" 1
576 1 88 LEU HA 1 92 GLU HB2 0.000 . 5.000 4.695 3.810 5.482 0.482 9 0 "[ . 1 . 2]" 1
577 1 87 ILE HA 1 88 LEU H 0.000 . 5.000 2.830 2.210 3.595 . 0 0 "[ . 1 . 2]" 1
578 1 88 LEU HA 1 89 SER H 0.000 . 2.700 2.424 2.245 2.698 . 0 0 "[ . 1 . 2]" 1
579 1 89 SER H 1 92 GLU QB 0.000 . 2.700 2.548 2.075 2.729 0.029 19 0 "[ . 1 . 2]" 1
580 1 89 SER H 1 92 GLU HB2 0.000 . 5.000 2.704 2.177 3.354 . 0 0 "[ . 1 . 2]" 1
581 1 89 SER H 1 92 GLU H 0.000 . 5.000 3.904 3.606 4.241 . 0 0 "[ . 1 . 2]" 1
582 1 90 ASP HA 1 93 VAL HB 0.000 . 3.500 3.246 2.649 3.535 0.035 19 0 "[ . 1 . 2]" 1
583 1 90 ASP HA 1 93 VAL QG 0.000 . 5.000 2.670 1.820 3.624 . 0 0 "[ . 1 . 2]" 1
584 1 89 SER HA 1 90 ASP H 0.000 . 2.700 2.282 2.211 2.419 . 0 0 "[ . 1 . 2]" 1
585 1 89 SER QB 1 90 ASP H 0.000 . 5.000 3.280 2.741 3.639 . 0 0 "[ . 1 . 2]" 1
586 1 90 ASP H 1 91 GLU H 0.000 . 3.500 2.849 2.625 2.994 . 0 0 "[ . 1 . 2]" 1
587 1 90 ASP H 1 92 GLU H 0.000 . 5.000 4.123 3.946 4.423 . 0 0 "[ . 1 . 2]" 1
588 1 89 SER QB 1 91 GLU H 0.000 . 5.000 3.096 2.667 3.833 . 0 0 "[ . 1 . 2]" 1
589 1 90 ASP HA 1 91 GLU H 0.000 . 3.500 3.559 3.530 3.575 0.075 18 0 "[ . 1 . 2]" 1
590 1 91 GLU H 1 92 GLU H 0.000 . 2.700 2.727 2.702 2.764 0.064 7 0 "[ . 1 . 2]" 1
591 1 89 SER QB 1 92 GLU H 0.000 . 5.000 2.782 2.303 3.571 . 0 0 "[ . 1 . 2]" 1
592 1 90 ASP HA 1 92 GLU H 0.000 . 5.000 3.899 3.693 4.298 . 0 0 "[ . 1 . 2]" 1
593 1 91 GLU HA 1 92 GLU H 0.000 . 5.000 3.505 3.466 3.557 . 0 0 "[ . 1 . 2]" 1
594 1 91 GLU QB 1 92 GLU H 0.000 . 5.000 2.944 2.636 3.547 . 0 0 "[ . 1 . 2]" 1
595 1 92 GLU H 1 93 VAL QG 0.000 . 5.000 3.923 3.645 4.203 . 0 0 "[ . 1 . 2]" 1
596 1 93 VAL HA 1 97 ASP HA 0.000 . 5.000 2.478 1.864 3.240 . 0 0 "[ . 1 . 2]" 1
597 1 89 SER H 1 93 VAL H 0.000 . 5.000 4.755 4.383 4.998 . 0 0 "[ . 1 . 2]" 1
598 1 90 ASP HA 1 93 VAL H 0.000 . 3.500 3.270 3.071 3.505 0.005 5 0 "[ . 1 . 2]" 1
599 1 92 GLU HA 1 93 VAL H 0.000 . 5.000 3.565 3.542 3.580 . 0 0 "[ . 1 . 2]" 1
600 1 92 GLU HB2 1 93 VAL H 0.000 . 5.000 3.278 2.607 3.930 . 0 0 "[ . 1 . 2]" 1
601 1 93 VAL H 1 94 GLU H 0.000 . 3.500 2.463 2.415 2.548 . 0 0 "[ . 1 . 2]" 1
602 1 93 VAL H 1 98 VAL H 0.000 . 5.000 4.795 4.220 4.973 . 0 0 "[ . 1 . 2]" 1
603 1 90 ASP HA 1 94 GLU H 0.000 . 5.000 4.353 3.982 4.572 . 0 0 "[ . 1 . 2]" 1
604 1 91 GLU HA 1 94 GLU H 0.000 . 3.500 3.398 3.076 3.526 0.026 3 0 "[ . 1 . 2]" 1
605 1 93 VAL HA 1 94 GLU H 0.000 . 5.000 3.462 3.366 3.542 . 0 0 "[ . 1 . 2]" 1
606 1 93 VAL QG 1 94 GLU H 0.000 . 5.000 3.020 2.044 3.563 . 0 0 "[ . 1 . 2]" 1
607 1 94 GLU H 1 95 GLU H 0.000 . 3.500 2.300 2.135 2.521 . 0 0 "[ . 1 . 2]" 1
608 1 94 GLU H 1 96 LYS H 0.000 . 5.000 3.595 3.211 4.015 . 0 0 "[ . 1 . 2]" 1
609 1 94 GLU QB 1 95 GLU HA 0.000 . 5.000 4.060 3.877 4.470 . 0 0 "[ . 1 . 2]" 1
610 1 91 GLU HA 1 95 GLU H 0.000 . 3.500 3.463 3.181 3.519 0.019 4 0 "[ . 1 . 2]" 1
611 1 91 GLU QB 1 95 GLU H 0.000 . 5.000 4.546 4.055 4.923 . 0 0 "[ . 1 . 2]" 1
612 1 92 GLU HA 1 95 GLU H 0.000 . 5.000 3.696 3.524 3.924 . 0 0 "[ . 1 . 2]" 1
613 1 94 GLU HA 1 95 GLU H 0.000 . 5.000 3.558 3.507 3.589 . 0 0 "[ . 1 . 2]" 1
614 1 94 GLU QB 1 95 GLU H 0.000 . 5.000 2.600 2.385 2.865 . 0 0 "[ . 1 . 2]" 1
615 1 95 GLU H 1 96 LYS H 0.000 . 3.500 2.299 2.109 2.510 . 0 0 "[ . 1 . 2]" 1
616 1 96 LYS HA 1 98 VAL QG 0.000 . 5.000 3.944 3.308 4.755 . 0 0 "[ . 1 . 2]" 1
617 1 92 GLU HA 1 96 LYS H 0.000 . 3.500 3.015 2.513 3.355 . 0 0 "[ . 1 . 2]" 1
618 1 95 GLU HA 1 96 LYS H 0.000 . 5.000 3.544 3.483 3.594 . 0 0 "[ . 1 . 2]" 1
619 1 95 GLU QB 1 96 LYS H 0.000 . 5.000 2.643 2.353 2.907 . 0 0 "[ . 1 . 2]" 1
620 1 96 LYS H 1 97 ASP H 0.000 . 2.700 2.084 1.874 2.429 . 0 0 "[ . 1 . 2]" 1
621 1 75 VAL MG1 1 97 ASP HA 0.000 . 5.000 2.365 2.090 2.666 . 0 0 "[ . 1 . 2]" 1
622 1 92 GLU HA 1 97 ASP H 0.000 . 5.000 4.404 4.197 4.655 . 0 0 "[ . 1 . 2]" 1
623 1 93 VAL HA 1 97 ASP H 0.000 . 5.000 2.795 2.313 3.338 . 0 0 "[ . 1 . 2]" 1
624 1 94 GLU H 1 97 ASP H 0.000 . 5.000 3.663 3.227 3.989 . 0 0 "[ . 1 . 2]" 1
625 1 95 GLU H 1 97 ASP H 0.000 . 3.500 3.387 3.144 3.508 0.008 12 0 "[ . 1 . 2]" 1
626 1 96 LYS QB 1 97 ASP H 0.000 . 5.000 3.036 2.858 3.281 . 0 0 "[ . 1 . 2]" 1
627 1 97 ASP H 1 98 VAL QG 0.000 . 5.000 3.940 3.391 4.227 . 0 0 "[ . 1 . 2]" 1
628 1 97 ASP H 1 98 VAL H 0.000 . 3.500 2.731 2.603 2.935 . 0 0 "[ . 1 . 2]" 1
629 1 92 GLU HA 1 98 VAL H 0.000 . 5.000 4.711 4.284 5.002 0.002 14 0 "[ . 1 . 2]" 1
630 1 93 VAL HA 1 98 VAL H 0.000 . 2.700 2.680 2.291 2.745 0.045 17 0 "[ . 1 . 2]" 1
631 1 93 VAL QG 1 98 VAL H 0.000 . 5.000 3.714 3.199 4.004 . 0 0 "[ . 1 . 2]" 1
632 1 96 LYS QB 1 98 VAL H 0.000 . 5.000 2.435 2.209 2.733 . 0 0 "[ . 1 . 2]" 1
633 1 96 LYS H 1 98 VAL H 0.000 . 5.000 3.862 3.678 4.077 . 0 0 "[ . 1 . 2]" 1
634 1 97 ASP HA 1 98 VAL H 0.000 . 3.500 3.112 3.010 3.186 . 0 0 "[ . 1 . 2]" 1
635 1 93 VAL QG 1 99 ARG HA 0.000 . 5.000 3.715 2.997 4.896 . 0 0 "[ . 1 . 2]" 1
636 1 98 VAL QG 1 99 ARG HA 0.000 . 5.000 3.265 2.996 3.628 . 0 0 "[ . 1 . 2]" 1
637 1 72 ALA HA 1 99 ARG H 0.000 . 5.000 4.904 4.267 5.057 0.057 19 0 "[ . 1 . 2]" 1
638 1 73 SER QB 1 99 ARG H 0.000 . 5.000 3.579 2.652 4.891 . 0 0 "[ . 1 . 2]" 1
639 1 74 ILE HA 1 99 ARG H 0.000 . 5.000 4.684 3.831 5.003 0.003 16 0 "[ . 1 . 2]" 1
640 1 98 VAL HA 1 99 ARG H 0.000 . 2.700 2.352 2.202 2.497 . 0 0 "[ . 1 . 2]" 1
641 1 98 VAL QG 1 99 ARG H 0.000 . 5.000 2.176 1.831 3.288 . 0 0 "[ . 1 . 2]" 1
642 1 99 ARG H 1 113 ILE MD 0.000 . 5.000 4.299 3.443 5.021 0.021 11 0 "[ . 1 . 2]" 1
643 1 80 ILE MG 1 104 GLY QA 0.000 . 5.000 3.016 2.401 3.808 . 0 0 "[ . 1 . 2]" 1
644 1 82 MET QB 1 104 GLY QA 0.000 . 5.000 3.243 2.133 4.393 . 0 0 "[ . 1 . 2]" 1
645 1 42 VAL QG 1 105 SER HA 0.000 . 5.000 3.649 2.948 4.498 . 0 0 "[ . 1 . 2]" 1
646 1 47 TYR HA 1 105 SER HA 0.000 . 3.500 3.357 2.979 3.540 0.040 15 0 "[ . 1 . 2]" 1
647 1 48 ILE MD 1 105 SER HA 0.000 . 5.000 3.497 2.409 4.525 . 0 0 "[ . 1 . 2]" 1
648 1 80 ILE MG 1 105 SER HA 0.000 . 5.000 3.757 2.975 4.652 . 0 0 "[ . 1 . 2]" 1
649 1 80 ILE MG 1 105 SER H 0.000 . 5.000 3.178 1.894 3.767 . 0 0 "[ . 1 . 2]" 1
650 1 81 ASP HB2 1 105 SER H 0.000 . 5.000 4.356 3.197 5.486 0.486 18 0 "[ . 1 . 2]" 1
651 1 82 MET HA 1 105 SER H 0.000 . 5.000 3.569 3.060 4.021 . 0 0 "[ . 1 . 2]" 1
652 1 104 GLY QA 1 105 SER H 0.000 . 2.700 2.255 2.166 2.328 . 0 0 "[ . 1 . 2]" 1
653 1 3 VAL QG 1 106 PRO HA 0.000 . 5.000 4.018 3.556 4.603 . 0 0 "[ . 1 . 2]" 1
654 1 48 ILE MD 1 106 PRO HA 0.000 . 5.000 3.685 2.624 5.001 0.001 14 0 "[ . 1 . 2]" 1
655 1 80 ILE HG13 1 106 PRO HA 0.000 . 5.000 3.870 2.211 4.961 . 0 0 "[ . 1 . 2]" 1
656 1 80 ILE HG12 1 106 PRO HA 0.000 . 5.000 3.032 2.008 3.694 . 0 0 "[ . 1 . 2]" 1
657 1 80 ILE MG 1 106 PRO HA 0.000 . 5.000 2.766 1.872 3.383 . 0 0 "[ . 1 . 2]" 1
658 1 106 PRO HA 1 107 ALA MB 0.000 . 5.000 3.880 3.756 4.005 . 0 0 "[ . 1 . 2]" 1
659 1 106 PRO HA 1 111 VAL MG1 0.000 . 5.000 4.293 3.335 4.943 . 0 0 "[ . 1 . 2]" 1
660 1 106 PRO HA 1 111 VAL MG2 0.000 . 5.000 3.796 3.199 4.310 . 0 0 "[ . 1 . 2]" 1
661 1 79 GLU QB 1 107 ALA MB 0.000 . 3.500 3.018 1.733 3.510 0.010 15 0 "[ . 1 . 2]" 1
662 1 79 GLU QG 1 107 ALA MB 0.000 . 3.500 2.743 1.771 3.532 0.032 11 0 "[ . 1 . 2]" 1
663 1 80 ILE HA 1 107 ALA MB 0.000 . 3.500 3.089 2.560 3.377 . 0 0 "[ . 1 . 2]" 1
664 1 81 ASP HA 1 107 ALA MB 0.000 . 5.000 3.828 2.731 4.565 . 0 0 "[ . 1 . 2]" 1
665 1 81 ASP HB2 1 107 ALA MB 0.000 . 3.500 2.528 1.926 3.035 . 0 0 "[ . 1 . 2]" 1
666 1 80 ILE HA 1 107 ALA H 0.000 . 2.700 2.378 2.004 2.720 0.020 3 0 "[ . 1 . 2]" 1
667 1 80 ILE HG12 1 107 ALA H 0.000 . 5.000 4.334 3.629 5.005 0.005 2 0 "[ . 1 . 2]" 1
668 1 80 ILE MG 1 107 ALA H 0.000 . 5.000 4.064 3.708 4.570 . 0 0 "[ . 1 . 2]" 1
669 1 106 PRO HA 1 107 ALA H 0.000 . 5.000 2.266 2.214 2.348 . 0 0 "[ . 1 . 2]" 1
670 1 106 PRO QB 1 107 ALA H 0.000 . 5.000 3.208 2.882 3.579 . 0 0 "[ . 1 . 2]" 1
671 1 107 ALA H 1 108 ALA MB 0.000 . 5.000 3.766 3.357 4.054 . 0 0 "[ . 1 . 2]" 1
672 1 107 ALA H 1 108 ALA H 0.000 . 2.700 2.204 1.932 2.686 . 0 0 "[ . 1 . 2]" 1
673 1 78 GLY HA2 1 108 ALA MB 0.000 . 3.500 3.010 2.572 3.431 . 0 0 "[ . 1 . 2]" 1
674 1 79 GLU QB 1 108 ALA MB 0.000 . 3.500 2.825 2.040 3.522 0.022 20 0 "[ . 1 . 2]" 1
675 1 108 ALA MB 1 111 VAL MG1 0.000 . 3.500 3.434 3.216 3.514 0.014 16 0 "[ . 1 . 2]" 1
676 1 79 GLU QG 1 108 ALA H 0.000 . 5.000 4.466 3.074 5.009 0.009 14 0 "[ . 1 . 2]" 1
677 1 79 GLU H 1 108 ALA H 0.000 . 5.000 3.365 2.642 4.073 . 0 0 "[ . 1 . 2]" 1
678 1 106 PRO HA 1 108 ALA H 0.000 . 5.000 3.960 3.400 5.003 0.003 5 0 "[ . 1 . 2]" 1
679 1 106 PRO QB 1 108 ALA H 0.000 . 5.000 3.611 2.737 4.629 . 0 0 "[ . 1 . 2]" 1
680 1 107 ALA HA 1 108 ALA H 0.000 . 3.500 3.479 3.236 3.573 0.073 18 0 "[ . 1 . 2]" 1
681 1 107 ALA MB 1 108 ALA H 0.000 . 5.000 2.749 1.943 3.380 . 0 0 "[ . 1 . 2]" 1
682 1 108 ALA HA 1 109 ASP H 0.000 . 2.700 2.322 2.232 2.678 . 0 0 "[ . 1 . 2]" 1
683 1 108 ALA MB 1 109 ASP H 0.000 . 5.000 2.887 2.331 3.153 . 0 0 "[ . 1 . 2]" 1
684 1 109 ASP H 1 110 GLU H 0.000 . 3.500 3.130 2.712 3.484 . 0 0 "[ . 1 . 2]" 1
685 1 2 THR HB 1 110 GLU HA 0.000 . 3.500 2.851 2.160 3.475 . 0 0 "[ . 1 . 2]" 1
686 1 2 THR MG 1 110 GLU HA 0.000 . 5.000 3.594 3.052 4.815 . 0 0 "[ . 1 . 2]" 1
687 1 110 GLU HA 1 111 VAL H 0.000 . 3.500 2.227 2.206 2.280 . 0 0 "[ . 1 . 2]" 1
688 1 108 ALA MB 1 110 GLU H 0.000 . 5.000 3.556 2.801 4.019 . 0 0 "[ . 1 . 2]" 1
689 1 109 ASP HA 1 110 GLU H 0.000 . 5.000 3.568 3.531 3.594 . 0 0 "[ . 1 . 2]" 1
690 1 109 ASP QB 1 110 GLU H 0.000 . 5.000 2.121 1.844 3.356 . 0 0 "[ . 1 . 2]" 1
691 1 110 GLU H 1 110 GLU HG2 0.000 . 5.000 3.931 2.110 4.716 . 0 0 "[ . 1 . 2]" 1
692 1 75 VAL MG2 1 111 VAL HA 0.000 . 5.000 4.460 4.134 4.747 . 0 0 "[ . 1 . 2]" 1
693 1 78 GLY HA3 1 111 VAL HA 0.000 . 3.500 3.526 3.188 3.919 0.419 19 0 "[ . 1 . 2]" 1
694 1 78 GLY HA2 1 111 VAL HA 0.000 . 5.000 2.185 1.866 2.576 . 0 0 "[ . 1 . 2]" 1
695 1 78 GLY HA3 1 111 VAL MG1 0.000 . 3.500 3.569 3.269 3.848 0.348 20 0 "[ . 1 . 2]" 1
696 1 78 GLY HA2 1 111 VAL MG1 0.000 . 5.000 2.076 1.838 2.384 . 0 0 "[ . 1 . 2]" 1
697 1 2 THR HB 1 111 VAL H 0.000 . 5.000 4.311 3.710 4.790 . 0 0 "[ . 1 . 2]" 1
698 1 3 VAL HA 1 111 VAL H 0.000 . 2.700 2.232 1.976 2.527 . 0 0 "[ . 1 . 2]" 1
699 1 3 VAL QG 1 111 VAL H 0.000 . 5.000 2.987 2.515 3.334 . 0 0 "[ . 1 . 2]" 1
700 1 4 GLU H 1 111 VAL H 0.000 . 5.000 3.694 3.306 4.365 . 0 0 "[ . 1 . 2]" 1
701 1 110 GLU QB 1 111 VAL H 0.000 . 5.000 3.655 3.210 3.958 . 0 0 "[ . 1 . 2]" 1
702 1 4 GLU HB3 1 112 LYS HA 0.000 . 5.000 2.735 2.124 3.266 . 0 0 "[ . 1 . 2]" 1
703 1 111 VAL MG1 1 112 LYS HA 0.000 . 5.000 4.058 3.701 4.425 . 0 0 "[ . 1 . 2]" 1
704 1 112 LYS HA 1 113 ILE MG 0.000 . 5.000 3.424 3.176 3.780 . 0 0 "[ . 1 . 2]" 1
705 1 24 PHE QD 1 112 LYS HB3 0.000 . 5.000 3.626 3.331 3.814 . 0 0 "[ . 1 . 2]" 1
706 1 24 PHE QE 1 112 LYS HB3 0.000 . 3.500 3.033 2.392 3.330 . 0 0 "[ . 1 . 2]" 1
707 1 24 PHE HZ 1 112 LYS HB3 0.000 . 3.500 3.370 2.992 3.528 0.028 9 0 "[ . 1 . 2]" 1
708 1 24 PHE QD 1 112 LYS HB2 0.000 . 5.000 4.902 4.663 5.020 0.020 12 0 "[ . 1 . 2]" 1
709 1 24 PHE QE 1 112 LYS HB2 0.000 . 5.000 4.274 3.714 4.557 . 0 0 "[ . 1 . 2]" 1
710 1 24 PHE HZ 1 112 LYS HB2 0.000 . 5.000 4.741 4.323 4.959 . 0 0 "[ . 1 . 2]" 1
711 1 77 GLU H 1 112 LYS HB2 0.000 . 3.500 2.715 2.234 3.070 . 0 0 "[ . 1 . 2]" 1
712 1 75 VAL MG2 1 112 LYS H 0.000 . 5.000 3.610 3.243 4.137 . 0 0 "[ . 1 . 2]" 1
713 1 77 GLU HB3 1 112 LYS H 0.000 . 5.000 2.884 2.088 3.551 . 0 0 "[ . 1 . 2]" 1
714 1 77 GLU HB2 1 112 LYS H 0.000 . 5.000 3.594 3.086 4.453 . 0 0 "[ . 1 . 2]" 1
715 1 78 GLY HA2 1 112 LYS H 0.000 . 5.000 3.408 3.027 3.750 . 0 0 "[ . 1 . 2]" 1
716 1 111 VAL HA 1 112 LYS H 0.000 . 2.700 2.250 2.207 2.350 . 0 0 "[ . 1 . 2]" 1
717 1 111 VAL MG1 1 112 LYS H 0.000 . 5.000 2.562 1.860 3.218 . 0 0 "[ . 1 . 2]" 1
718 1 111 VAL MG2 1 112 LYS H 0.000 . 5.000 4.127 3.956 4.332 . 0 0 "[ . 1 . 2]" 1
719 1 24 PHE HZ 1 113 ILE HA 0.000 . 5.000 3.556 3.175 4.228 . 0 0 "[ . 1 . 2]" 1
720 1 75 VAL HA 1 113 ILE HA 0.000 . 3.500 1.851 1.824 1.898 . 0 0 "[ . 1 . 2]" 1
721 1 75 VAL MG2 1 113 ILE HA 0.000 . 5.000 3.601 3.395 3.759 . 0 0 "[ . 1 . 2]" 1
722 1 76 LYS HB2 1 113 ILE HA 0.000 . 5.000 3.165 2.853 3.623 . 0 0 "[ . 1 . 2]" 1
723 1 76 LYS H 1 113 ILE HA 0.000 . 3.500 1.852 1.827 1.907 . 0 0 "[ . 1 . 2]" 1
724 1 4 GLU HB3 1 113 ILE H 0.000 . 5.000 3.608 3.155 3.975 . 0 0 "[ . 1 . 2]" 1
725 1 6 LEU H 1 113 ILE H 0.000 . 5.000 4.114 3.902 4.383 . 0 0 "[ . 1 . 2]" 1
726 1 24 PHE QE 1 113 ILE H 0.000 . 5.000 2.789 2.231 3.775 . 0 0 "[ . 1 . 2]" 1
727 1 24 PHE HZ 1 113 ILE H 0.000 . 5.000 2.610 2.305 3.029 . 0 0 "[ . 1 . 2]" 1
728 1 112 LYS HA 1 113 ILE H 0.000 . 2.700 2.259 2.228 2.284 . 0 0 "[ . 1 . 2]" 1
729 1 6 LEU QB 1 114 VAL HA 0.000 . 5.000 2.756 2.457 3.046 . 0 0 "[ . 1 . 2]" 1
730 1 8 TYR H 1 114 VAL QG 0.000 . 3.500 2.365 1.939 2.748 . 0 0 "[ . 1 . 2]" 1
731 1 73 SER QB 1 114 VAL H 0.000 . 5.000 4.122 3.062 4.606 . 0 0 "[ . 1 . 2]" 1
732 1 74 ILE MG 1 114 VAL H 0.000 . 5.000 3.752 3.052 4.094 . 0 0 "[ . 1 . 2]" 1
733 1 75 VAL HA 1 114 VAL H 0.000 . 3.500 3.505 3.386 3.575 0.075 5 0 "[ . 1 . 2]" 1
734 1 113 ILE HA 1 114 VAL H 0.000 . 2.700 2.309 2.230 2.420 . 0 0 "[ . 1 . 2]" 1
735 1 113 ILE HB 1 114 VAL H 0.000 . 5.000 4.077 3.901 4.257 . 0 0 "[ . 1 . 2]" 1
736 1 113 ILE MD 1 114 VAL H 0.000 . 5.000 3.580 1.906 4.180 . 0 0 "[ . 1 . 2]" 1
737 1 113 ILE MG 1 114 VAL H 0.000 . 5.000 3.767 3.547 3.999 . 0 0 "[ . 1 . 2]" 1
738 1 73 SER QB 1 115 TYR HA 0.000 . 5.000 3.537 2.306 4.494 . 0 0 "[ . 1 . 2]" 1
739 1 115 TYR HA 1 117 ALA MB 0.000 . 5.000 4.253 3.781 4.593 . 0 0 "[ . 1 . 2]" 1
740 1 5 TYR HB2 1 115 TYR QD 0.000 . 5.000 3.892 3.670 4.113 . 0 0 "[ . 1 . 2]" 1
741 1 7 ASN HA 1 115 TYR QD 0.000 . 5.000 1.907 1.829 2.069 . 0 0 "[ . 1 . 2]" 1
742 1 7 ASN QB 1 115 TYR QD 0.000 . 5.000 3.197 2.627 3.436 . 0 0 "[ . 1 . 2]" 1
743 1 36 ASP HA 1 115 TYR QD 0.000 . 3.500 3.529 3.353 3.586 0.086 10 0 "[ . 1 . 2]" 1
744 1 59 TRP HA 1 115 TYR QD 0.000 . 5.000 2.976 2.544 3.635 . 0 0 "[ . 1 . 2]" 1
745 1 59 TRP HE1 1 115 TYR QD 0.000 . 5.000 5.036 5.002 5.191 0.191 20 0 "[ . 1 . 2]" 1
746 1 59 TRP HZ2 1 115 TYR QD 0.000 . 5.000 4.828 4.139 5.030 0.030 8 0 "[ . 1 . 2]" 1
747 1 115 TYR QD 1 116 ASN HB2 0.000 . 5.000 3.190 3.053 3.408 . 0 0 "[ . 1 . 2]" 1
748 1 7 ASN HA 1 115 TYR QE 0.000 . 5.000 2.332 1.991 2.856 . 0 0 "[ . 1 . 2]" 1
749 1 7 ASN QB 1 115 TYR QE 0.000 . 5.000 1.885 1.752 2.245 . 0 0 "[ . 1 . 2]" 1
750 1 7 ASN H 1 115 TYR QE 0.000 . 3.500 3.522 3.461 3.560 0.060 15 0 "[ . 1 . 2]" 1
751 1 115 TYR QE 1 116 ASN HB3 0.000 . 5.000 4.369 4.169 4.717 . 0 0 "[ . 1 . 2]" 1
752 1 115 TYR QE 1 116 ASN HB2 0.000 . 5.000 3.241 3.078 3.520 . 0 0 "[ . 1 . 2]" 1
753 1 5 TYR HA 1 115 TYR H 0.000 . 5.000 4.173 3.811 4.632 . 0 0 "[ . 1 . 2]" 1
754 1 5 TYR HB2 1 115 TYR H 0.000 . 5.000 3.853 3.394 4.343 . 0 0 "[ . 1 . 2]" 1
755 1 6 LEU QB 1 115 TYR H 0.000 . 5.000 4.052 3.803 4.298 . 0 0 "[ . 1 . 2]" 1
756 1 6 LEU H 1 115 TYR H 0.000 . 3.500 2.708 2.338 3.070 . 0 0 "[ . 1 . 2]" 1
757 1 7 ASN HA 1 115 TYR H 0.000 . 3.500 3.336 3.038 3.527 0.027 20 0 "[ . 1 . 2]" 1
758 1 114 VAL HA 1 115 TYR H 0.000 . 2.700 2.239 2.208 2.375 . 0 0 "[ . 1 . 2]" 1
759 1 114 VAL QG 1 115 TYR H 0.000 . 5.000 2.757 2.290 3.046 . 0 0 "[ . 1 . 2]" 1
760 1 115 TYR H 1 115 TYR QD 0.000 . 5.000 2.489 2.185 2.936 . 0 0 "[ . 1 . 2]" 1
761 1 115 TYR QD 1 116 ASN HA 0.000 . 5.000 3.971 3.496 4.326 . 0 0 "[ . 1 . 2]" 1
762 1 116 ASN HA 1 118 LYS H 0.000 . 5.000 3.093 2.983 3.214 . 0 0 "[ . 1 . 2]" 1
763 1 60 PRO QG 1 116 ASN H 0.000 . 3.500 3.484 3.246 3.575 0.075 20 0 "[ . 1 . 2]" 1
764 1 115 TYR QB 1 116 ASN H 0.000 . 5.000 2.981 2.578 3.370 . 0 0 "[ . 1 . 2]" 1
765 1 115 TYR QD 1 116 ASN H 0.000 . 5.000 2.762 2.106 3.238 . 0 0 "[ . 1 . 2]" 1
766 1 116 ASN H 1 117 ALA MB 0.000 . 5.000 4.150 4.044 4.255 . 0 0 "[ . 1 . 2]" 1
767 1 116 ASN H 1 117 ALA H 0.000 . 2.700 2.632 2.464 2.755 0.055 10 0 "[ . 1 . 2]" 1
768 1 117 ALA MB 1 123 LEU MD1 0.000 . 5.000 3.782 2.087 5.921 0.921 5 1 "[ + 1 . 2]" 1
769 1 72 ALA MB 1 117 ALA H 0.000 . 5.000 2.920 2.207 3.892 . 0 0 "[ . 1 . 2]" 1
770 1 116 ASN HA 1 117 ALA H 0.000 . 3.500 2.890 2.595 3.111 . 0 0 "[ . 1 . 2]" 1
771 1 117 ALA H 1 118 LYS H 0.000 . 3.500 2.715 2.578 3.014 . 0 0 "[ . 1 . 2]" 1
772 1 72 ALA MB 1 118 LYS H 0.000 . 5.000 2.989 1.793 3.879 . 0 0 "[ . 1 . 2]" 1
773 1 117 ALA HA 1 118 LYS H 0.000 . 3.500 3.452 3.292 3.523 0.023 6 0 "[ . 1 . 2]" 1
774 1 117 ALA MB 1 118 LYS H 0.000 . 5.000 2.930 2.745 3.271 . 0 0 "[ . 1 . 2]" 1
775 1 118 LYS H 1 118 LYS QG 0.000 . 5.000 2.210 1.854 2.474 . 0 0 "[ . 1 . 2]" 1
776 1 118 LYS H 1 119 HIS H 0.000 . 3.500 2.790 2.509 2.943 . 0 0 "[ . 1 . 2]" 1
777 1 8 TYR QD 1 119 HIS HB3 0.000 . 3.500 2.602 2.159 3.332 . 0 0 "[ . 1 . 2]" 1
778 1 8 TYR QE 1 119 HIS HB3 0.000 . 3.500 2.854 2.334 3.511 0.011 13 0 "[ . 1 . 2]" 1
779 1 8 TYR QD 1 119 HIS HB2 0.000 . 3.500 2.206 1.847 3.119 . 0 0 "[ . 1 . 2]" 1
780 1 8 TYR QE 1 119 HIS HB2 0.000 . 3.500 2.806 1.888 3.248 . 0 0 "[ . 1 . 2]" 1
781 1 8 TYR HB3 1 119 HIS HD2 0.000 . 5.000 2.706 1.973 3.280 . 0 0 "[ . 1 . 2]" 1
782 1 8 TYR HB2 1 119 HIS HD2 0.000 . 5.000 4.311 3.298 4.960 . 0 0 "[ . 1 . 2]" 1
783 1 8 TYR QD 1 119 HIS HD2 0.000 . 3.500 3.209 2.545 3.534 0.034 1 0 "[ . 1 . 2]" 1
784 1 116 ASN HA 1 119 HIS HD2 0.000 . 5.000 4.127 3.650 4.510 . 0 0 "[ . 1 . 2]" 1
785 1 116 ASN HB3 1 119 HIS HD2 0.000 . 3.500 1.977 1.843 2.777 . 0 0 "[ . 1 . 2]" 1
786 1 116 ASN HB2 1 119 HIS HD2 0.000 . 3.500 3.544 3.505 3.586 0.086 16 0 "[ . 1 . 2]" 1
787 1 118 LYS QG 1 119 HIS HD2 0.000 . 5.000 3.608 3.231 5.021 0.021 10 0 "[ . 1 . 2]" 1
788 1 119 HIS HA 1 119 HIS HD2 0.000 . 5.000 4.643 4.410 4.821 . 0 0 "[ . 1 . 2]" 1
789 1 8 TYR QD 1 119 HIS H 0.000 . 5.000 4.115 3.248 4.625 . 0 0 "[ . 1 . 2]" 1
790 1 8 TYR QE 1 119 HIS H 0.000 . 5.000 4.938 4.516 5.099 0.099 15 0 "[ . 1 . 2]" 1
791 1 117 ALA HA 1 119 HIS H 0.000 . 3.500 3.419 3.313 3.508 0.008 1 0 "[ . 1 . 2]" 1
792 1 118 LYS HA 1 119 HIS H 0.000 . 3.500 3.481 3.428 3.522 0.022 1 0 "[ . 1 . 2]" 1
793 1 118 LYS QD 1 119 HIS H 0.000 . 5.000 4.019 2.833 4.741 . 0 0 "[ . 1 . 2]" 1
794 1 118 LYS QG 1 119 HIS H 0.000 . 5.000 2.185 1.858 3.969 . 0 0 "[ . 1 . 2]" 1
795 1 119 HIS H 1 119 HIS HD2 0.000 . 3.500 3.136 2.752 3.480 . 0 0 "[ . 1 . 2]" 1
796 1 119 HIS H 1 120 LEU H 0.000 . 2.700 2.578 2.445 2.670 . 0 0 "[ . 1 . 2]" 1
797 1 117 ALA HA 1 120 LEU H 0.000 . 3.500 3.491 3.401 3.523 0.023 17 0 "[ . 1 . 2]" 1
798 1 118 LYS HA 1 120 LEU H 0.000 . 5.000 3.851 3.671 4.055 . 0 0 "[ . 1 . 2]" 1
799 1 119 HIS HA 1 120 LEU H 0.000 . 5.000 3.494 3.393 3.556 . 0 0 "[ . 1 . 2]" 1
800 1 119 HIS HB3 1 120 LEU H 0.000 . 5.000 3.911 3.472 4.278 . 0 0 "[ . 1 . 2]" 1
801 1 119 HIS HB2 1 120 LEU H 0.000 . 5.000 3.185 2.706 3.944 . 0 0 "[ . 1 . 2]" 1
802 1 120 LEU H 1 121 ASP H 0.000 . 5.000 4.598 4.323 4.703 . 0 0 "[ . 1 . 2]" 1
803 1 120 LEU H 1 123 LEU HB2 0.000 . 5.000 4.236 3.161 4.923 . 0 0 "[ . 1 . 2]" 1
804 1 121 ASP HA 1 124 GLN QB 0.000 . 3.500 2.331 1.980 2.758 . 0 0 "[ . 1 . 2]" 1
805 1 120 LEU HA 1 121 ASP H 0.000 . 2.700 2.260 2.209 2.520 . 0 0 "[ . 1 . 2]" 1
806 1 120 LEU QB 1 121 ASP H 0.000 . 5.000 3.487 2.962 3.936 . 0 0 "[ . 1 . 2]" 1
807 1 121 ASP H 1 122 TYR H 0.000 . 3.500 2.679 2.397 2.973 . 0 0 "[ . 1 . 2]" 1
808 1 122 TYR QD 1 123 LEU HA 0.000 . 5.000 4.151 3.325 4.871 . 0 0 "[ . 1 . 2]" 1
809 1 122 TYR QD 1 123 LEU MD2 0.000 . 5.000 4.548 2.157 5.844 0.844 3 3 "[ + . -1 . *]" 1
810 1 122 TYR QD 1 123 LEU HG 0.000 . 5.000 3.842 2.185 4.904 . 0 0 "[ . 1 . 2]" 1
811 1 120 LEU HA 1 122 TYR H 0.000 . 5.000 3.857 3.313 4.385 . 0 0 "[ . 1 . 2]" 1
812 1 120 LEU QB 1 122 TYR H 0.000 . 5.000 2.960 2.140 3.769 . 0 0 "[ . 1 . 2]" 1
813 1 121 ASP HA 1 122 TYR H 0.000 . 5.000 3.504 3.401 3.588 . 0 0 "[ . 1 . 2]" 1
814 1 122 TYR H 1 122 TYR QD 0.000 . 5.000 3.996 3.624 4.132 . 0 0 "[ . 1 . 2]" 1
815 1 120 LEU QB 1 123 LEU H 0.000 . 5.000 2.639 2.074 3.376 . 0 0 "[ . 1 . 2]" 1
816 1 122 TYR HA 1 123 LEU H 0.000 . 3.500 3.467 3.365 3.557 0.057 13 0 "[ . 1 . 2]" 1
817 1 122 TYR HB3 1 123 LEU H 0.000 . 5.000 3.023 2.523 3.510 . 0 0 "[ . 1 . 2]" 1
818 1 122 TYR QD 1 123 LEU H 0.000 . 5.000 4.169 3.433 4.745 . 0 0 "[ . 1 . 2]" 1
819 1 122 TYR H 1 123 LEU H 0.000 . 2.700 2.594 2.455 2.730 0.030 6 0 "[ . 1 . 2]" 1
820 1 123 LEU H 1 123 LEU MD1 0.000 . 5.000 3.561 2.743 4.222 . 0 0 "[ . 1 . 2]" 1
821 1 123 LEU H 1 123 LEU MD2 0.000 . 5.000 4.222 2.481 4.576 . 0 0 "[ . 1 . 2]" 1
822 1 123 LEU H 1 123 LEU HG 0.000 . 5.000 3.755 2.457 4.558 . 0 0 "[ . 1 . 2]" 1
823 1 123 LEU H 1 124 GLN H 0.000 . 2.700 2.101 1.859 2.441 . 0 0 "[ . 1 . 2]" 1
824 1 119 HIS HA 1 124 GLN HE22 0.000 . 5.000 3.794 2.272 4.932 . 0 0 "[ . 1 . 2]" 1
825 1 120 LEU QB 1 124 GLN H 0.000 . 5.000 3.906 3.361 4.529 . 0 0 "[ . 1 . 2]" 1
826 1 121 ASP HA 1 124 GLN H 0.000 . 5.000 3.189 2.791 3.553 . 0 0 "[ . 1 . 2]" 1
827 1 122 TYR HA 1 124 GLN H 0.000 . 5.000 4.661 4.272 4.977 . 0 0 "[ . 1 . 2]" 1
828 1 122 TYR H 1 124 GLN H 0.000 . 5.000 3.999 3.618 4.288 . 0 0 "[ . 1 . 2]" 1
829 1 123 LEU HA 1 124 GLN H 0.000 . 5.000 3.515 3.398 3.567 . 0 0 "[ . 1 . 2]" 1
830 1 123 LEU HB3 1 124 GLN H 0.000 . 5.000 3.335 2.705 3.973 . 0 0 "[ . 1 . 2]" 1
831 1 123 LEU HB2 1 124 GLN H 0.000 . 5.000 3.146 2.738 3.710 . 0 0 "[ . 1 . 2]" 1
832 1 124 GLN H 1 125 ASN H 0.000 . 3.500 2.731 2.564 2.995 . 0 0 "[ . 1 . 2]" 1
833 1 124 GLN HA 1 125 ASN H 0.000 . 3.500 3.511 3.423 3.564 0.064 10 0 "[ . 1 . 2]" 1
834 1 124 GLN QB 1 125 ASN H 0.000 . 5.000 2.764 2.343 3.071 . 0 0 "[ . 1 . 2]" 1
835 1 125 ASN H 1 126 ARG H 0.000 . 3.500 2.745 2.587 2.947 . 0 0 "[ . 1 . 2]" 1
836 1 123 LEU HA 1 126 ARG H 0.000 . 5.000 3.791 3.078 4.341 . 0 0 "[ . 1 . 2]" 1
837 1 124 GLN HA 1 126 ARG H 0.000 . 5.000 3.723 3.430 4.438 . 0 0 "[ . 1 . 2]" 1
838 1 125 ASN HA 1 126 ARG H 0.000 . 5.000 3.486 3.375 3.583 . 0 0 "[ . 1 . 2]" 1
839 1 124 GLN HA 1 127 VAL H 0.000 . 5.000 3.749 2.916 4.309 . 0 0 "[ . 1 . 2]" 1
840 1 125 ASN HA 1 127 VAL H 0.000 . 5.000 3.902 3.334 4.509 . 0 0 "[ . 1 . 2]" 1
841 1 126 ARG HA 1 127 VAL H 0.000 . 5.000 3.348 2.693 3.573 . 0 0 "[ . 1 . 2]" 1
842 1 126 ARG H 1 127 VAL H 0.000 . 3.500 2.706 2.155 3.117 . 0 0 "[ . 1 . 2]" 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 92
_Distance_constraint_stats_list.Viol_count 145
_Distance_constraint_stats_list.Viol_total 53.732
_Distance_constraint_stats_list.Viol_max 0.092
_Distance_constraint_stats_list.Viol_rms 0.0069
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0015
_Distance_constraint_stats_list.Viol_average_violations_only 0.0185
_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 1 PRO 0.226 0.036 10 0 "[ . 1 . 2]"
1 2 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 TYR 0.253 0.034 6 0 "[ . 1 . 2]"
1 6 LEU 0.212 0.041 15 0 "[ . 1 . 2]"
1 7 ASN 0.061 0.016 18 0 "[ . 1 . 2]"
1 8 TYR 0.388 0.070 17 0 "[ . 1 . 2]"
1 10 THR 0.068 0.016 18 0 "[ . 1 . 2]"
1 14 GLN 0.006 0.006 19 0 "[ . 1 . 2]"
1 22 ASP 0.004 0.004 12 0 "[ . 1 . 2]"
1 23 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LYS 0.004 0.004 12 0 "[ . 1 . 2]"
1 27 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ASP 0.024 0.024 11 0 "[ . 1 . 2]"
1 36 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 TYR 0.024 0.024 11 0 "[ . 1 . 2]"
1 38 GLY 0.253 0.034 6 0 "[ . 1 . 2]"
1 40 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 VAL 0.226 0.036 10 0 "[ . 1 . 2]"
1 43 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 TYR 0.080 0.021 14 0 "[ . 1 . 2]"
1 48 ILE 0.091 0.044 3 0 "[ . 1 . 2]"
1 49 LEU 0.163 0.092 14 0 "[ . 1 . 2]"
1 50 GLU 0.263 0.030 15 0 "[ . 1 . 2]"
1 51 ALA 0.008 0.008 20 0 "[ . 1 . 2]"
1 52 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLU 0.006 0.005 9 0 "[ . 1 . 2]"
1 54 ALA 0.191 0.030 15 0 "[ . 1 . 2]"
1 55 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ALA 0.356 0.083 19 0 "[ . 1 . 2]"
1 74 ILE 0.312 0.049 14 0 "[ . 1 . 2]"
1 75 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 GLU 0.017 0.016 20 0 "[ . 1 . 2]"
1 79 GLU 0.036 0.036 19 0 "[ . 1 . 2]"
1 81 ASP 0.003 0.002 17 0 "[ . 1 . 2]"
1 89 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 ASP 0.202 0.033 7 0 "[ . 1 . 2]"
1 91 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 GLU 0.032 0.025 7 0 "[ . 1 . 2]"
1 93 VAL 0.202 0.033 7 0 "[ . 1 . 2]"
1 94 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 LYS 0.025 0.025 7 0 "[ . 1 . 2]"
1 97 ASP 0.007 0.007 18 0 "[ . 1 . 2]"
1 101 THR 0.157 0.092 14 0 "[ . 1 . 2]"
1 104 GLY 0.091 0.044 3 0 "[ . 1 . 2]"
1 105 SER 0.003 0.002 17 0 "[ . 1 . 2]"
1 107 ALA 0.036 0.036 19 0 "[ . 1 . 2]"
1 111 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 LYS 0.017 0.016 20 0 "[ . 1 . 2]"
1 113 ILE 0.005 0.005 15 0 "[ . 1 . 2]"
1 114 VAL 0.312 0.049 14 0 "[ . 1 . 2]"
1 115 TYR 0.595 0.070 17 0 "[ . 1 . 2]"
1 117 ALA 0.363 0.083 19 0 "[ . 1 . 2]"
1 120 LEU 0.007 0.007 10 0 "[ . 1 . 2]"
1 123 LEU 0.003 0.003 9 0 "[ . 1 . 2]"
1 124 GLN 0.017 0.009 1 0 "[ . 1 . 2]"
1 126 ARG 0.003 0.003 9 0 "[ . 1 . 2]"
1 127 VAL 0.017 0.009 1 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 VAL H 1 40 MET O 0.000 . 2.300 1.989 1.591 2.299 . 0 0 "[ . 1 . 2]" 2
2 1 3 VAL N 1 40 MET O 0.000 . 3.300 2.890 2.543 3.235 . 0 0 "[ . 1 . 2]" 2
3 1 4 GLU H 1 111 VAL O 0.000 . 2.300 1.975 1.612 2.261 . 0 0 "[ . 1 . 2]" 2
4 1 4 GLU N 1 111 VAL O 0.000 . 3.300 2.752 2.536 2.971 . 0 0 "[ . 1 . 2]" 2
5 1 5 TYR H 1 38 GLY O 0.000 . 2.300 2.129 1.993 2.296 . 0 0 "[ . 1 . 2]" 2
6 1 5 TYR N 1 38 GLY O 0.000 . 3.300 2.953 2.847 3.121 . 0 0 "[ . 1 . 2]" 2
7 1 6 LEU H 1 113 ILE O 0.000 . 2.300 2.116 1.903 2.305 0.005 15 0 "[ . 1 . 2]" 2
8 1 6 LEU N 1 113 ILE O 0.000 . 3.300 2.940 2.676 3.175 . 0 0 "[ . 1 . 2]" 2
9 1 7 ASN H 1 36 ASP O 0.000 . 2.300 1.852 1.549 2.194 . 0 0 "[ . 1 . 2]" 2
10 1 7 ASN N 1 36 ASP O 0.000 . 3.300 2.536 2.416 2.784 . 0 0 "[ . 1 . 2]" 2
11 1 8 TYR H 1 115 TYR O 0.000 . 2.300 2.214 1.963 2.370 0.070 17 0 "[ . 1 . 2]" 2
12 1 8 TYR N 1 115 TYR O 0.000 . 3.300 3.170 2.922 3.343 0.043 17 0 "[ . 1 . 2]" 2
13 1 7 ASN O 1 10 THR H 0.000 . 2.300 2.260 2.119 2.316 0.016 18 0 "[ . 1 . 2]" 2
14 1 7 ASN O 1 10 THR N 0.000 . 3.300 2.969 2.821 3.063 . 0 0 "[ . 1 . 2]" 2
15 1 10 THR O 1 14 GLN H 0.000 . 2.300 2.130 1.819 2.306 0.006 19 0 "[ . 1 . 2]" 2
16 1 10 THR O 1 14 GLN N 0.000 . 3.300 3.036 2.750 3.231 . 0 0 "[ . 1 . 2]" 2
17 1 22 ASP O 1 26 LYS H 0.000 . 2.300 1.887 1.461 2.304 0.004 12 0 "[ . 1 . 2]" 2
18 1 22 ASP O 1 26 LYS N 0.000 . 3.300 2.825 2.402 3.210 . 0 0 "[ . 1 . 2]" 2
19 1 23 LEU O 1 27 ALA H 0.000 . 2.300 1.757 1.540 2.048 . 0 0 "[ . 1 . 2]" 2
20 1 23 LEU O 1 27 ALA N 0.000 . 3.300 2.649 2.450 2.885 . 0 0 "[ . 1 . 2]" 2
21 1 33 ASP O 1 37 TYR H 0.000 . 2.300 2.143 1.880 2.324 0.024 11 0 "[ . 1 . 2]" 2
22 1 33 ASP O 1 37 TYR N 0.000 . 3.300 3.099 2.850 3.292 . 0 0 "[ . 1 . 2]" 2
23 1 5 TYR O 1 38 GLY H 0.000 . 2.300 2.294 2.087 2.334 0.034 6 0 "[ . 1 . 2]" 2
24 1 5 TYR O 1 38 GLY N 0.000 . 3.300 3.126 2.998 3.258 . 0 0 "[ . 1 . 2]" 2
25 1 3 VAL O 1 40 MET H 0.000 . 2.300 1.631 1.476 1.802 . 0 0 "[ . 1 . 2]" 2
26 1 3 VAL O 1 40 MET N 0.000 . 3.300 2.443 2.411 2.556 . 0 0 "[ . 1 . 2]" 2
27 1 1 PRO O 1 42 VAL H 0.000 . 2.300 2.308 2.264 2.336 0.036 10 0 "[ . 1 . 2]" 2
28 1 1 PRO O 1 42 VAL N 0.000 . 3.300 3.200 3.099 3.282 . 0 0 "[ . 1 . 2]" 2
29 1 43 ALA O 1 46 GLU H 0.000 . 2.300 2.148 1.922 2.299 . 0 0 "[ . 1 . 2]" 2
30 1 43 ALA O 1 46 GLU N 0.000 . 3.300 2.960 2.701 3.224 . 0 0 "[ . 1 . 2]" 2
31 1 48 ILE H 1 104 GLY O 0.000 . 2.300 2.204 1.910 2.344 0.044 3 0 "[ . 1 . 2]" 2
32 1 48 ILE N 1 104 GLY O 0.000 . 3.300 3.109 2.842 3.240 . 0 0 "[ . 1 . 2]" 2
33 1 49 LEU H 1 101 THR O 0.000 . 2.300 2.175 1.669 2.392 0.092 14 0 "[ . 1 . 2]" 2
34 1 49 LEU N 1 101 THR O 0.000 . 3.300 3.059 2.544 3.287 . 0 0 "[ . 1 . 2]" 2
35 1 47 TYR O 1 50 GLU H 0.000 . 2.300 2.172 1.857 2.321 0.021 14 0 "[ . 1 . 2]" 2
36 1 47 TYR O 1 50 GLU N 0.000 . 3.300 2.836 2.574 3.082 . 0 0 "[ . 1 . 2]" 2
37 1 47 TYR O 1 51 ALA H 0.000 . 2.300 2.001 1.663 2.308 0.008 20 0 "[ . 1 . 2]" 2
38 1 47 TYR O 1 51 ALA N 0.000 . 3.300 2.947 2.620 3.225 . 0 0 "[ . 1 . 2]" 2
39 1 48 ILE O 1 52 ALA H 0.000 . 2.300 1.919 1.636 2.132 . 0 0 "[ . 1 . 2]" 2
40 1 48 ILE O 1 52 ALA N 0.000 . 3.300 2.881 2.607 3.097 . 0 0 "[ . 1 . 2]" 2
41 1 49 LEU O 1 53 GLU H 0.000 . 2.300 2.024 1.620 2.305 0.005 9 0 "[ . 1 . 2]" 2
42 1 49 LEU O 1 53 GLU N 0.000 . 3.300 2.827 2.523 3.115 . 0 0 "[ . 1 . 2]" 2
43 1 50 GLU O 1 54 ALA H 0.000 . 2.300 2.263 2.018 2.330 0.030 15 0 "[ . 1 . 2]" 2
44 1 50 GLU O 1 54 ALA N 0.000 . 3.300 3.127 2.907 3.259 . 0 0 "[ . 1 . 2]" 2
45 1 52 ALA O 1 55 GLN H 0.000 . 2.300 2.054 1.796 2.285 . 0 0 "[ . 1 . 2]" 2
46 1 52 ALA O 1 55 GLN N 0.000 . 3.300 2.915 2.694 3.149 . 0 0 "[ . 1 . 2]" 2
47 1 52 ALA O 1 57 TYR H 0.000 . 2.300 2.146 1.924 2.284 . 0 0 "[ . 1 . 2]" 2
48 1 52 ALA O 1 57 TYR N 0.000 . 3.300 3.059 2.896 3.188 . 0 0 "[ . 1 . 2]" 2
49 1 74 ILE H 1 114 VAL O 0.000 . 2.300 2.197 1.843 2.349 0.049 14 0 "[ . 1 . 2]" 2
50 1 74 ILE N 1 114 VAL O 0.000 . 3.300 3.036 2.628 3.232 . 0 0 "[ . 1 . 2]" 2
51 1 75 VAL H 1 97 ASP O 0.000 . 2.300 1.789 1.497 2.053 . 0 0 "[ . 1 . 2]" 2
52 1 75 VAL N 1 97 ASP O 0.000 . 3.300 2.508 2.426 2.632 . 0 0 "[ . 1 . 2]" 2
53 1 76 LYS H 1 112 LYS O 0.000 . 2.300 1.744 1.634 1.835 . 0 0 "[ . 1 . 2]" 2
54 1 76 LYS N 1 112 LYS O 0.000 . 3.300 2.460 2.410 2.531 . 0 0 "[ . 1 . 2]" 2
55 1 77 GLU H 1 112 LYS O 0.000 . 2.300 2.170 2.029 2.316 0.016 20 0 "[ . 1 . 2]" 2
56 1 77 GLU N 1 112 LYS O 0.000 . 3.300 3.046 2.906 3.185 . 0 0 "[ . 1 . 2]" 2
57 1 81 ASP H 1 105 SER O 0.000 . 2.300 1.619 1.463 1.891 . 0 0 "[ . 1 . 2]" 2
58 1 81 ASP N 1 105 SER O 0.000 . 3.300 2.534 2.425 2.822 . 0 0 "[ . 1 . 2]" 2
59 1 89 SER O 1 92 GLU H 0.000 . 2.300 1.953 1.594 2.283 . 0 0 "[ . 1 . 2]" 2
60 1 89 SER O 1 92 GLU N 0.000 . 3.300 2.756 2.450 3.139 . 0 0 "[ . 1 . 2]" 2
61 1 90 ASP O 1 93 VAL H 0.000 . 2.300 2.285 2.176 2.333 0.033 7 0 "[ . 1 . 2]" 2
62 1 90 ASP O 1 93 VAL N 0.000 . 3.300 2.888 2.744 2.969 . 0 0 "[ . 1 . 2]" 2
63 1 90 ASP O 1 94 GLU H 0.000 . 2.300 2.076 1.814 2.291 . 0 0 "[ . 1 . 2]" 2
64 1 90 ASP O 1 94 GLU N 0.000 . 3.300 2.890 2.569 3.139 . 0 0 "[ . 1 . 2]" 2
65 1 91 GLU O 1 95 GLU H 0.000 . 2.300 1.816 1.577 2.070 . 0 0 "[ . 1 . 2]" 2
66 1 91 GLU O 1 95 GLU N 0.000 . 3.300 2.711 2.475 3.001 . 0 0 "[ . 1 . 2]" 2
67 1 92 GLU O 1 96 LYS H 0.000 . 2.300 2.043 1.716 2.325 0.025 7 0 "[ . 1 . 2]" 2
68 1 92 GLU O 1 96 LYS N 0.000 . 3.300 2.755 2.486 3.038 . 0 0 "[ . 1 . 2]" 2
69 1 92 GLU O 1 97 ASP H 0.000 . 2.300 2.120 1.833 2.307 0.007 18 0 "[ . 1 . 2]" 2
70 1 92 GLU O 1 97 ASP N 0.000 . 3.300 2.653 2.444 2.893 . 0 0 "[ . 1 . 2]" 2
71 1 81 ASP O 1 105 SER H 0.000 . 2.300 2.125 1.845 2.302 0.002 17 0 "[ . 1 . 2]" 2
72 1 81 ASP O 1 105 SER N 0.000 . 3.300 2.952 2.673 3.236 . 0 0 "[ . 1 . 2]" 2
73 1 79 GLU O 1 107 ALA H 0.000 . 2.300 2.104 1.769 2.336 0.036 19 0 "[ . 1 . 2]" 2
74 1 79 GLU O 1 107 ALA N 0.000 . 3.300 3.007 2.672 3.225 . 0 0 "[ . 1 . 2]" 2
75 1 2 THR O 1 111 VAL H 0.000 . 2.300 1.988 1.716 2.283 . 0 0 "[ . 1 . 2]" 2
76 1 2 THR O 1 111 VAL N 0.000 . 3.300 2.875 2.648 3.051 . 0 0 "[ . 1 . 2]" 2
77 1 77 GLU O 1 112 LYS H 0.000 . 2.300 1.913 1.531 2.297 . 0 0 "[ . 1 . 2]" 2
78 1 77 GLU O 1 112 LYS N 0.000 . 3.300 2.747 2.420 3.252 . 0 0 "[ . 1 . 2]" 2
79 1 4 GLU O 1 113 ILE H 0.000 . 2.300 2.085 1.798 2.291 . 0 0 "[ . 1 . 2]" 2
80 1 4 GLU O 1 113 ILE N 0.000 . 3.300 2.999 2.712 3.238 . 0 0 "[ . 1 . 2]" 2
81 1 6 LEU O 1 115 TYR H 0.000 . 2.300 2.262 2.024 2.341 0.041 15 0 "[ . 1 . 2]" 2
82 1 6 LEU O 1 115 TYR N 0.000 . 3.300 3.019 2.734 3.245 . 0 0 "[ . 1 . 2]" 2
83 1 72 ALA O 1 117 ALA H 0.000 . 2.300 2.307 2.254 2.383 0.083 19 0 "[ . 1 . 2]" 2
84 1 72 ALA O 1 117 ALA N 0.000 . 3.300 3.155 3.036 3.251 . 0 0 "[ . 1 . 2]" 2
85 1 117 ALA O 1 120 LEU H 0.000 . 2.300 1.758 1.464 2.307 0.007 10 0 "[ . 1 . 2]" 2
86 1 117 ALA O 1 120 LEU N 0.000 . 3.300 2.690 2.424 3.236 . 0 0 "[ . 1 . 2]" 2
87 1 120 LEU O 1 124 GLN H 0.000 . 2.300 1.989 1.545 2.296 . 0 0 "[ . 1 . 2]" 2
88 1 120 LEU O 1 124 GLN N 0.000 . 3.300 2.884 2.441 3.147 . 0 0 "[ . 1 . 2]" 2
89 1 123 LEU O 1 126 ARG H 0.000 . 2.300 2.069 1.729 2.303 0.003 9 0 "[ . 1 . 2]" 2
90 1 123 LEU O 1 126 ARG N 0.000 . 3.300 2.973 2.592 3.267 . 0 0 "[ . 1 . 2]" 2
91 1 124 GLN O 1 127 VAL H 0.000 . 2.300 2.130 1.595 2.309 0.009 1 0 "[ . 1 . 2]" 2
92 1 124 GLN O 1 127 VAL N 0.000 . 3.300 2.964 2.534 3.195 . 0 0 "[ . 1 . 2]" 2
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