NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
605826 |
5frf   |
25955 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5frf
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 754
_Distance_constraint_stats_list.Viol_count 2213
_Distance_constraint_stats_list.Viol_total 2212.937
_Distance_constraint_stats_list.Viol_max 1.167
_Distance_constraint_stats_list.Viol_rms 0.0742
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0293
_Distance_constraint_stats_list.Viol_average_violations_only 0.1000
_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 5 SER 0.000 0.000 . 0 "[ . 1]"
1 6 ALA 0.017 0.007 3 0 "[ . 1]"
1 7 GLY 0.017 0.007 3 0 "[ . 1]"
1 8 GLU 0.876 0.876 2 1 "[ + . 1]"
1 9 PRO 0.000 0.000 . 0 "[ . 1]"
1 10 HIS 3.072 0.239 2 0 "[ . 1]"
1 11 GLU 1.915 0.300 5 0 "[ . 1]"
1 12 THR 0.311 0.047 4 0 "[ . 1]"
1 13 ASP 5.346 0.249 4 0 "[ . 1]"
1 14 CYS 7.577 0.497 9 0 "[ . 1]"
1 15 SER 1.513 0.529 5 1 "[ + 1]"
1 16 GLU 3.972 0.241 6 0 "[ . 1]"
1 17 ILE 7.730 0.241 6 0 "[ . 1]"
1 18 LEU 8.824 0.455 7 0 "[ . 1]"
1 19 ASP 5.768 0.455 7 0 "[ . 1]"
1 20 HIS 5.101 0.383 6 0 "[ . 1]"
1 21 LEU 5.534 0.168 8 0 "[ . 1]"
1 22 TYR 8.024 0.378 9 0 "[ . 1]"
1 23 GLU 5.204 0.181 9 0 "[ . 1]"
1 24 PHE 8.412 0.527 6 4 "[ *.+ * -]"
1 25 LEU 5.521 0.378 9 0 "[ . 1]"
1 26 ASP 1.306 0.152 9 0 "[ . 1]"
1 27 LYS 5.617 0.793 5 2 "[ + -1]"
1 28 GLU 2.131 0.192 9 0 "[ . 1]"
1 29 MET 0.000 0.000 . 0 "[ . 1]"
1 30 PRO 0.152 0.139 5 0 "[ . 1]"
1 31 ASP 4.252 0.219 4 0 "[ . 1]"
1 32 SER 4.771 0.215 9 0 "[ . 1]"
1 33 ASP 3.076 0.527 6 4 "[ *.+ * -]"
1 34 ALA 1.329 0.131 3 0 "[ . 1]"
1 35 VAL 4.129 0.215 9 0 "[ . 1]"
1 36 LYS 1.963 0.115 1 0 "[ . 1]"
1 37 PHE 2.090 0.142 10 0 "[ . 1]"
1 38 GLU 3.168 0.227 4 0 "[ . 1]"
1 39 HIS 0.865 0.115 1 0 "[ . 1]"
1 40 HIS 0.022 0.013 7 0 "[ . 1]"
1 41 PHE 3.241 0.334 1 0 "[ . 1]"
1 42 GLU 6.662 0.334 1 0 "[ . 1]"
1 43 GLU 4.118 0.727 10 4 "[* . *-+]"
1 44 SER 0.958 0.405 3 0 "[ . 1]"
1 45 SER 0.974 0.171 9 0 "[ . 1]"
1 46 PRO 0.454 0.171 9 0 "[ . 1]"
1 47 CYS 2.484 0.497 9 0 "[ . 1]"
1 51 TYR 0.360 0.047 8 0 "[ . 1]"
1 52 GLY 0.076 0.041 1 0 "[ . 1]"
1 53 LEU 0.300 0.064 8 0 "[ . 1]"
1 54 GLU 0.321 0.151 5 0 "[ . 1]"
1 55 GLN 7.050 0.870 10 5 "[ **.- * +]"
1 56 ALA 0.780 0.200 10 0 "[ . 1]"
1 57 VAL 3.109 0.159 5 0 "[ . 1]"
1 58 LYS 3.464 0.766 8 4 "[ **.- + 1]"
1 59 LYS 5.269 0.233 10 0 "[ . 1]"
1 60 LEU 9.303 0.233 10 0 "[ . 1]"
1 61 VAL 5.372 0.201 8 0 "[ . 1]"
1 62 LYS 3.201 0.208 7 0 "[ . 1]"
1 63 ARG 6.314 0.270 5 0 "[ . 1]"
1 64 ALA 2.638 0.270 5 0 "[ . 1]"
1 65 ALA 0.602 0.133 3 0 "[ . 1]"
1 66 GLY 0.000 0.000 . 0 "[ . 1]"
1 67 GLN 8.588 0.489 6 0 "[ . 1]"
1 68 ASP 4.321 0.213 3 0 "[ . 1]"
1 69 ASP 5.620 0.344 8 0 "[ . 1]"
1 70 VAL 0.797 0.132 3 0 "[ . 1]"
1 71 PRO 0.158 0.056 6 0 "[ . 1]"
1 72 GLY 0.108 0.056 6 0 "[ . 1]"
1 73 ASP 2.152 0.227 5 0 "[ . 1]"
1 74 LEU 7.392 0.272 2 0 "[ . 1]"
1 75 ARG 4.490 0.272 2 0 "[ . 1]"
1 76 ALA 6.466 0.266 2 0 "[ . 1]"
1 77 LYS 9.127 0.266 2 0 "[ . 1]"
1 78 VAL 7.314 0.271 6 0 "[ . 1]"
1 79 MET 7.590 0.285 10 0 "[ . 1]"
1 80 GLY 2.489 0.190 10 0 "[ . 1]"
1 81 ARG 4.657 0.974 9 2 "[ -. +1]"
1 82 LEU 6.002 0.974 9 2 "[ -. +1]"
1 83 ASP 5.059 0.295 9 0 "[ . 1]"
1 84 LEU 9.066 1.167 9 4 "[ * . -*+1]"
1 85 ILE 3.585 0.189 4 0 "[ . 1]"
1 86 ARG 8.646 0.248 4 0 "[ . 1]"
1 87 SER 0.286 0.049 6 0 "[ . 1]"
1 88 GLY 0.981 0.137 7 0 "[ . 1]"
1 89 GLN 3.508 0.189 7 0 "[ . 1]"
1 90 SER 1.901 0.190 7 0 "[ . 1]"
1 91 VAL 5.355 0.332 7 0 "[ . 1]"
1 92 PRO 0.510 0.203 10 0 "[ . 1]"
1 93 GLU 2.656 0.190 8 0 "[ . 1]"
1 94 HIS 0.072 0.020 6 0 "[ . 1]"
1 95 ASP 1.325 0.215 3 0 "[ . 1]"
1 96 VAL 1.184 0.197 10 0 "[ . 1]"
1 97 ALA 0.363 0.097 4 0 "[ . 1]"
1 98 ALA 0.197 0.063 6 0 "[ . 1]"
1 99 ALA 0.283 0.085 8 0 "[ . 1]"
1 100 PRO 0.744 0.095 1 0 "[ . 1]"
1 102 SER 0.456 0.228 2 0 "[ . 1]"
1 104 ALA 0.000 0.000 . 0 "[ . 1]"
1 105 PRO 0.000 0.000 . 0 "[ . 1]"
1 106 GLN 1.705 0.229 3 0 "[ . 1]"
1 107 GLU 5.275 0.508 7 4 "[ *-. + *]"
1 108 SER 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 91 VAL HA 1 91 VAL HB 2.800 . 2.800 2.991 2.982 2.995 0.195 6 0 "[ . 1]" 1
2 1 106 GLN HA 1 107 GLU H 3.500 . 3.500 2.773 2.194 3.567 0.067 6 0 "[ . 1]" 1
3 1 57 VAL HA 1 60 LEU HB3 3.500 . 3.500 3.483 3.439 3.515 0.015 1 0 "[ . 1]" 1
4 1 17 ILE MD 1 20 HIS HB3 5.000 . 5.000 4.884 4.088 5.014 0.014 8 0 "[ . 1]" 1
5 1 17 ILE MD 1 37 PHE HA 5.000 . 5.000 3.304 2.851 3.800 . 0 0 "[ . 1]" 1
6 1 86 ARG H 1 86 ARG HB2 2.800 . 2.800 2.278 2.266 2.297 . 0 0 "[ . 1]" 1
7 1 81 ARG HA 1 84 LEU QD 3.500 . 3.500 2.054 1.726 2.405 0.074 5 0 "[ . 1]" 1
8 1 59 LYS H 1 59 LYS HB2 2.500 . 2.500 2.132 2.119 2.155 . 0 0 "[ . 1]" 1
9 1 21 LEU HB2 1 22 TYR H 3.500 . 3.500 3.152 3.093 3.214 . 0 0 "[ . 1]" 1
10 1 12 THR HA 1 12 THR HB 2.800 . 2.800 2.547 2.543 2.549 . 0 0 "[ . 1]" 1
11 1 63 ARG H 1 63 ARG HB3 3.500 . 3.500 3.558 3.532 3.588 0.088 6 0 "[ . 1]" 1
12 1 85 ILE H 1 85 ILE HG13 3.500 . 3.500 2.492 2.067 2.872 . 0 0 "[ . 1]" 1
13 1 67 GLN HB3 1 68 ASP H 3.500 . 3.500 3.487 3.106 3.606 0.106 7 0 "[ . 1]" 1
14 1 21 LEU MD1 1 37 PHE HZ 3.500 . 3.500 3.469 3.393 3.516 0.016 3 0 "[ . 1]" 1
15 1 61 VAL H 1 61 VAL HA 2.800 . 2.800 2.844 2.825 2.860 0.060 8 0 "[ . 1]" 1
16 1 22 TYR HB2 1 22 TYR QD 3.500 . 3.500 2.493 2.457 2.545 . 0 0 "[ . 1]" 1
17 1 23 GLU HA 1 23 GLU HB3 2.800 . 2.800 2.665 2.619 2.744 . 0 0 "[ . 1]" 1
18 1 82 LEU H 1 82 LEU MD2 5.000 . 5.000 3.884 3.637 4.321 . 0 0 "[ . 1]" 1
19 1 85 ILE HA 1 85 ILE MD 3.500 . 3.500 3.610 3.537 3.689 0.189 4 0 "[ . 1]" 1
20 1 55 GLN HA 1 55 GLN HB3 2.800 2.100 2.800 2.928 2.419 2.988 0.188 9 0 "[ . 1]" 1
21 1 27 LYS HA 1 27 LYS HB2 2.500 . 2.500 2.408 2.399 2.415 . 0 0 "[ . 1]" 1
22 1 25 LEU H 1 25 LEU HB2 3.500 . 3.500 2.183 2.107 2.278 . 0 0 "[ . 1]" 1
23 1 85 ILE HA 1 85 ILE HG13 3.500 . 3.500 2.765 2.271 3.451 . 0 0 "[ . 1]" 1
24 1 19 ASP HA 1 22 TYR QD 5.000 . 5.000 4.924 4.780 5.010 0.010 8 0 "[ . 1]" 1
25 1 63 ARG HA 1 64 ALA H 3.500 2.500 3.500 3.443 3.378 3.541 0.041 4 0 "[ . 1]" 1
26 1 22 TYR QD 1 79 MET HA 5.000 . 5.000 4.307 3.578 4.663 . 0 0 "[ . 1]" 1
27 1 88 GLY H 1 88 GLY HA3 2.800 . 2.800 2.876 2.808 2.937 0.137 7 0 "[ . 1]" 1
28 1 86 ARG HA 1 86 ARG HB2 2.800 2.100 2.800 2.959 2.957 2.962 0.162 6 0 "[ . 1]" 1
29 1 42 GLU H 1 42 GLU QG . . 2.800 2.755 2.732 2.772 . 0 0 "[ . 1]" 1
30 1 10 HIS HA 1 10 HIS HD2 3.500 . 3.500 2.693 2.270 3.577 0.077 3 0 "[ . 1]" 1
31 1 42 GLU H 1 42 GLU HB3 3.500 2.500 3.500 3.565 3.533 3.605 0.105 1 0 "[ . 1]" 1
32 1 77 LYS H 1 77 LYS HB3 3.500 2.800 3.500 3.499 3.478 3.512 0.012 7 0 "[ . 1]" 1
33 1 16 GLU H 1 16 GLU HB2 3.500 . 3.500 2.250 2.133 2.481 . 0 0 "[ . 1]" 1
34 1 23 GLU HB3 1 23 GLU QG 2.800 . 2.800 2.371 2.346 2.424 . 0 0 "[ . 1]" 1
35 1 38 GLU HA 1 38 GLU HG2 3.500 . 3.500 2.506 2.433 2.548 . 0 0 "[ . 1]" 1
36 1 67 GLN HA 1 69 ASP H 3.500 . 3.500 3.637 3.573 3.714 0.214 3 0 "[ . 1]" 1
37 1 85 ILE H 1 85 ILE MD 5.000 . 5.000 2.724 1.941 3.761 . 0 0 "[ . 1]" 1
38 1 69 ASP QB 1 70 VAL H 2.800 . 2.800 2.684 2.384 2.821 0.021 10 0 "[ . 1]" 1
39 1 69 ASP H 1 69 ASP HA 2.500 . 2.500 2.630 2.272 2.844 0.344 8 0 "[ . 1]" 1
40 1 57 VAL HA 1 57 VAL MG2 3.500 . 3.500 2.337 2.205 2.616 . 0 0 "[ . 1]" 1
41 1 104 ALA HA 1 104 ALA MB 2.500 . 2.500 2.129 2.127 2.130 . 0 0 "[ . 1]" 1
42 1 86 ARG H 1 86 ARG HA 2.500 . 2.500 2.732 2.715 2.748 0.248 4 0 "[ . 1]" 1
43 1 10 HIS HB3 1 10 HIS HD2 3.500 . 3.500 3.351 2.650 3.656 0.156 4 0 "[ . 1]" 1
44 1 22 TYR QE 1 83 ASP HB3 5.000 . 5.000 5.007 4.787 5.137 0.137 10 0 "[ . 1]" 1
45 1 60 LEU HA 1 60 LEU HB3 2.800 . 2.800 2.566 2.552 2.586 . 0 0 "[ . 1]" 1
46 1 18 LEU MD2 1 51 TYR QE 5.000 . 5.000 3.276 2.119 5.004 0.004 7 0 "[ . 1]" 1
47 1 76 ALA MB 1 79 MET H 5.000 . 5.000 5.016 4.953 5.078 0.078 7 0 "[ . 1]" 1
48 1 27 LYS H 1 27 LYS HB2 3.500 . 3.500 3.608 3.592 3.678 0.178 5 0 "[ . 1]" 1
49 1 43 GLU H 1 43 GLU HG2 3.500 . 3.500 3.070 2.205 3.537 0.037 6 0 "[ . 1]" 1
50 1 79 MET H 1 79 MET QG 2.800 . 2.800 2.605 2.470 2.812 0.012 9 0 "[ . 1]" 1
51 1 21 LEU HA 1 21 LEU HG 3.500 . 3.500 3.612 3.601 3.624 0.124 6 0 "[ . 1]" 1
52 1 57 VAL HA 1 60 LEU HG 3.500 . 3.500 3.310 2.792 3.512 0.012 7 0 "[ . 1]" 1
53 1 82 LEU HA 1 82 LEU HG 2.800 . 2.800 2.745 2.401 2.903 0.103 7 0 "[ . 1]" 1
54 1 16 GLU H 1 16 GLU HG2 5.000 . 5.000 4.146 2.625 4.596 . 0 0 "[ . 1]" 1
55 1 106 GLN QG 1 107 GLU HA 3.500 . 3.500 3.460 3.425 3.514 0.014 7 0 "[ . 1]" 1
56 1 35 VAL HA 1 35 VAL HB 2.500 . 2.500 2.613 2.605 2.628 0.128 5 0 "[ . 1]" 1
57 1 105 PRO HA 1 106 GLN H 2.500 . 2.500 2.235 2.206 2.278 . 0 0 "[ . 1]" 1
58 1 21 LEU HA 1 24 PHE HB3 3.500 . 3.500 3.140 2.947 3.376 . 0 0 "[ . 1]" 1
59 1 25 LEU H 1 25 LEU HB3 3.500 . 3.500 3.490 3.424 3.540 0.040 9 0 "[ . 1]" 1
60 1 18 LEU HA 1 18 LEU MD2 3.500 . 3.500 3.551 2.085 3.732 0.232 6 0 "[ . 1]" 1
61 1 14 CYS H 1 14 CYS QB 3.500 . 3.500 2.197 2.084 2.368 . 0 0 "[ . 1]" 1
62 1 22 TYR QD 1 25 LEU HB2 5.000 . 5.000 4.125 4.008 4.226 . 0 0 "[ . 1]" 1
63 1 81 ARG QG 1 82 LEU H 3.500 . 3.500 3.151 2.902 3.401 . 0 0 "[ . 1]" 1
64 1 46 PRO HA 1 47 CYS H 3.500 . 3.500 2.201 2.162 2.288 . 0 0 "[ . 1]" 1
65 1 93 GLU HA 1 93 GLU HG3 3.500 . 3.500 3.454 3.336 3.626 0.126 8 0 "[ . 1]" 1
66 1 18 LEU HA 1 21 LEU HB2 2.800 . 2.800 2.566 2.475 2.650 . 0 0 "[ . 1]" 1
67 1 62 LYS HA 1 62 LYS QD 3.500 . 3.500 3.244 2.436 3.531 0.031 4 0 "[ . 1]" 1
68 1 42 GLU HB3 1 42 GLU QG 2.800 . 2.800 2.378 2.341 2.421 . 0 0 "[ . 1]" 1
69 1 63 ARG HA 1 63 ARG HB3 2.800 . 2.800 2.524 2.418 2.583 . 0 0 "[ . 1]" 1
70 1 78 VAL H 1 78 VAL MG2 3.500 . 3.500 2.679 1.934 3.731 0.231 6 0 "[ . 1]" 1
71 1 85 ILE HB 1 86 ARG H 3.500 . 3.500 2.645 2.599 2.698 . 0 0 "[ . 1]" 1
72 1 22 TYR HB2 1 22 TYR QE 5.000 . 5.000 4.453 4.432 4.475 . 0 0 "[ . 1]" 1
73 1 22 TYR QE 1 82 LEU HG 5.000 3.300 5.000 4.483 4.260 4.692 . 0 0 "[ . 1]" 1
74 1 91 VAL H 1 91 VAL HA 2.500 . 2.500 2.736 2.693 2.832 0.332 7 0 "[ . 1]" 1
75 1 22 TYR H 1 22 TYR HB3 2.500 . 2.500 2.630 2.617 2.644 0.144 7 0 "[ . 1]" 1
76 1 89 GLN HB3 1 90 SER H 3.500 . 3.500 2.847 2.189 3.375 . 0 0 "[ . 1]" 1
77 1 78 VAL HA 1 78 VAL HB 2.800 . 2.800 2.822 2.408 2.999 0.199 2 0 "[ . 1]" 1
78 1 59 LYS HA 1 59 LYS HB2 2.800 . 2.800 2.945 2.937 2.956 0.156 6 0 "[ . 1]" 1
79 1 75 ARG HA 1 75 ARG QG 2.800 . 2.800 2.708 2.593 2.885 0.085 2 0 "[ . 1]" 1
80 1 69 ASP H 1 69 ASP QB 2.500 . 2.500 2.522 2.329 2.741 0.241 5 0 "[ . 1]" 1
81 1 55 GLN HB3 1 55 GLN QG . . 2.500 2.146 2.126 2.167 . 0 0 "[ . 1]" 1
82 1 93 GLU HA 1 93 GLU QB . . 2.500 2.384 2.141 2.426 . 0 0 "[ . 1]" 1
83 1 83 ASP HA 1 86 ARG HB2 3.500 . 3.500 2.696 2.456 2.915 . 0 0 "[ . 1]" 1
84 1 40 HIS HA 1 43 GLU H 5.000 . 5.000 4.266 3.855 4.929 . 0 0 "[ . 1]" 1
85 1 75 ARG HA 1 75 ARG QD 3.500 . 3.500 3.030 2.334 3.432 . 0 0 "[ . 1]" 1
86 1 21 LEU MD2 1 22 TYR H 5.000 . 5.000 4.493 4.396 4.551 . 0 0 "[ . 1]" 1
87 1 22 TYR QD 1 23 GLU H 5.000 . 5.000 3.577 3.535 3.611 . 0 0 "[ . 1]" 1
88 1 60 LEU H 1 61 VAL H 3.500 . 3.500 2.812 2.759 2.897 . 0 0 "[ . 1]" 1
89 1 59 LYS HA 1 59 LYS HB3 2.800 . 2.800 2.679 2.650 2.698 . 0 0 "[ . 1]" 1
90 1 27 LYS HG2 1 28 GLU HA 3.500 . 3.500 3.667 3.627 3.692 0.192 9 0 "[ . 1]" 1
91 1 78 VAL H 1 78 VAL MG1 3.500 . 3.500 3.031 1.974 3.733 0.233 5 0 "[ . 1]" 1
92 1 93 GLU H 1 93 GLU HG2 2.800 . 2.800 2.692 1.979 2.826 0.026 6 0 "[ . 1]" 1
93 1 22 TYR QE 1 25 LEU HB2 5.000 . 5.000 4.992 4.678 5.249 0.249 10 0 "[ . 1]" 1
94 1 77 LYS HB2 1 77 LYS QD 2.800 . 2.800 2.359 2.343 2.382 . 0 0 "[ . 1]" 1
95 1 25 LEU HB2 1 26 ASP H 5.000 . 5.000 3.032 2.910 3.148 . 0 0 "[ . 1]" 1
96 1 68 ASP HB3 1 69 ASP H 2.800 . 2.800 2.833 2.631 3.013 0.213 3 0 "[ . 1]" 1
97 1 44 SER H 1 45 SER H 3.500 . 3.500 2.619 1.849 3.503 0.003 9 0 "[ . 1]" 1
98 1 62 LYS HA 1 62 LYS HG3 3.500 . 3.500 3.428 3.297 3.674 0.174 9 0 "[ . 1]" 1
99 1 22 TYR HA 1 22 TYR QE 5.000 . 5.000 4.467 4.428 4.511 . 0 0 "[ . 1]" 1
100 1 41 PHE HZ 1 57 VAL HB 3.500 . 3.500 3.092 2.522 3.516 0.016 8 0 "[ . 1]" 1
101 1 107 GLU HA 1 107 GLU HB3 2.800 . 2.800 2.565 2.346 2.990 0.190 1 0 "[ . 1]" 1
102 1 74 LEU HB2 1 75 ARG H 3.500 . 3.500 3.594 3.537 3.772 0.272 2 0 "[ . 1]" 1
103 1 18 LEU MD1 1 57 VAL MG1 5.000 . 5.000 5.008 4.778 5.082 0.082 7 0 "[ . 1]" 1
104 1 93 GLU QB 1 93 GLU HG3 2.800 . 2.800 2.177 2.131 2.400 . 0 0 "[ . 1]" 1
105 1 42 GLU H 1 42 GLU HA 2.800 . 2.800 2.863 2.800 2.895 0.095 9 0 "[ . 1]" 1
106 1 82 LEU H 1 82 LEU HG 5.000 3.300 5.000 4.074 3.160 4.675 0.140 9 0 "[ . 1]" 1
107 1 84 LEU H 1 85 ILE H 2.800 . 2.800 2.792 2.708 2.835 0.035 3 0 "[ . 1]" 1
108 1 8 GLU H 1 8 GLU HB2 2.800 . 2.800 2.586 2.387 3.676 0.876 2 1 "[ + . 1]" 1
109 1 90 SER QB 1 91 VAL H 3.500 . 3.500 3.073 2.748 3.551 0.051 3 0 "[ . 1]" 1
110 1 22 TYR QE 1 79 MET HA 5.000 . 5.000 3.022 2.306 3.660 . 0 0 "[ . 1]" 1
111 1 23 GLU HA 1 23 GLU HG3 3.500 . 3.500 2.960 2.696 3.679 0.179 9 0 "[ . 1]" 1
112 1 67 GLN HB2 1 67 GLN HG3 2.500 . 2.500 2.654 2.273 2.989 0.489 6 0 "[ . 1]" 1
113 1 70 VAL HA 1 70 VAL MG1 2.800 . 2.800 2.327 2.297 2.363 . 0 0 "[ . 1]" 1
114 1 55 GLN H 1 55 GLN HB2 3.500 . 3.500 2.463 2.357 2.829 . 0 0 "[ . 1]" 1
115 1 70 VAL HA 1 71 PRO HD3 2.500 . 2.500 2.194 2.011 2.321 . 0 0 "[ . 1]" 1
116 1 22 TYR QE 1 79 MET QG 5.000 . 5.000 3.444 2.460 4.051 . 0 0 "[ . 1]" 1
117 1 62 LYS H 1 62 LYS HB2 3.500 . 3.500 2.273 2.230 2.307 . 0 0 "[ . 1]" 1
118 1 13 ASP HA 1 14 CYS H 2.800 . 2.800 2.075 2.014 2.098 . 0 0 "[ . 1]" 1
119 1 55 GLN HB2 1 56 ALA H 3.500 . 3.500 3.382 1.814 3.599 0.099 6 0 "[ . 1]" 1
120 1 32 SER HA 1 35 VAL HB 3.500 . 3.500 3.705 3.692 3.715 0.215 9 0 "[ . 1]" 1
121 1 61 VAL HA 1 62 LYS H 3.500 2.500 3.500 3.536 3.530 3.542 0.042 5 0 "[ . 1]" 1
122 1 18 LEU MD2 1 85 ILE MD 5.000 . 5.000 4.733 4.346 5.104 0.104 7 0 "[ . 1]" 1
123 1 75 ARG QG 1 76 ALA H 3.500 . 3.500 3.624 3.582 3.685 0.185 9 0 "[ . 1]" 1
124 1 60 LEU HA 1 63 ARG HB2 2.800 . 2.800 2.839 2.812 2.859 0.059 3 0 "[ . 1]" 1
125 1 77 LYS HA 1 77 LYS QD 2.500 . 2.500 2.521 2.516 2.528 0.028 7 0 "[ . 1]" 1
126 1 78 VAL HA 1 78 VAL MG2 3.500 . 3.500 2.615 2.320 3.214 . 0 0 "[ . 1]" 1
127 1 25 LEU HB3 1 26 ASP H 3.500 . 3.500 3.484 3.295 3.652 0.152 9 0 "[ . 1]" 1
128 1 63 ARG HA 1 63 ARG QG 2.500 . 2.500 2.449 2.315 2.541 0.041 1 0 "[ . 1]" 1
129 1 99 ALA HA 1 100 PRO HD3 2.800 . 2.800 2.377 2.000 2.821 0.021 9 0 "[ . 1]" 1
130 1 27 LYS HA 1 27 LYS HB3 2.800 . 2.800 2.478 2.470 2.490 . 0 0 "[ . 1]" 1
131 1 75 ARG H 1 75 ARG QB 2.800 . 2.800 2.772 2.660 2.814 0.014 4 0 "[ . 1]" 1
132 1 21 LEU H 1 21 LEU HB3 3.500 . 3.500 3.324 3.253 3.361 . 0 0 "[ . 1]" 1
133 1 21 LEU HA 1 22 TYR H 5.000 . 5.000 3.540 3.524 3.555 . 0 0 "[ . 1]" 1
134 1 70 VAL H 1 70 VAL HA 2.800 . 2.800 2.855 2.786 2.932 0.132 3 0 "[ . 1]" 1
135 1 17 ILE HA 1 20 HIS HB2 3.500 . 3.500 2.037 2.005 2.061 . 0 0 "[ . 1]" 1
136 1 89 GLN HB2 1 90 SER H 3.500 . 3.500 3.029 2.598 3.552 0.052 8 0 "[ . 1]" 1
137 1 67 GLN HB3 1 67 GLN HG3 2.500 . 2.500 2.553 2.469 2.676 0.176 3 0 "[ . 1]" 1
138 1 21 LEU HB3 1 22 TYR H 3.500 . 3.500 3.131 3.006 3.245 . 0 0 "[ . 1]" 1
139 1 85 ILE HA 1 85 ILE HG12 3.500 . 3.500 3.009 2.445 3.502 0.002 9 0 "[ . 1]" 1
140 1 75 ARG H 1 75 ARG QG 2.500 . 2.500 1.907 1.775 2.002 0.025 9 0 "[ . 1]" 1
141 1 59 LYS HA 1 59 LYS QG 2.800 . 2.800 2.843 2.829 2.866 0.066 6 0 "[ . 1]" 1
142 1 21 LEU MD2 1 57 VAL MG2 5.000 . 5.000 3.989 2.549 4.346 . 0 0 "[ . 1]" 1
143 1 17 ILE HA 1 20 HIS HB3 3.500 . 3.500 3.544 3.523 3.570 0.070 6 0 "[ . 1]" 1
144 1 56 ALA H 1 56 ALA MB 3.500 . 3.500 2.114 2.008 2.220 . 0 0 "[ . 1]" 1
145 1 67 GLN HA 1 67 GLN HB2 2.800 . 2.800 2.916 2.840 2.975 0.175 6 0 "[ . 1]" 1
146 1 86 ARG HB3 1 87 SER H 4.000 . 4.000 3.767 3.677 3.879 . 0 0 "[ . 1]" 1
147 1 77 LYS H 1 77 LYS HB2 3.500 . 3.500 2.216 2.191 2.238 . 0 0 "[ . 1]" 1
148 1 82 LEU H 1 82 LEU MD1 5.000 . 5.000 3.174 2.320 4.160 . 0 0 "[ . 1]" 1
149 1 10 HIS HB2 1 10 HIS HD2 3.500 . 3.500 3.679 3.650 3.739 0.239 2 0 "[ . 1]" 1
150 1 41 PHE HB2 1 42 GLU H 3.500 . 3.500 3.597 3.530 3.711 0.211 4 0 "[ . 1]" 1
151 1 42 GLU HB3 1 43 GLU H 2.800 . 2.800 2.563 2.096 2.814 0.014 7 0 "[ . 1]" 1
152 1 59 LYS H 1 59 LYS HB3 3.500 2.500 3.500 3.454 3.443 3.471 . 0 0 "[ . 1]" 1
153 1 63 ARG HA 1 63 ARG HB2 2.800 . 2.800 2.993 2.988 2.999 0.199 6 0 "[ . 1]" 1
154 1 86 ARG HA 1 86 ARG HG2 2.500 . 2.500 2.548 2.535 2.559 0.059 4 0 "[ . 1]" 1
155 1 55 GLN HA 1 58 LYS QB 5.000 . 5.000 3.395 3.293 3.520 . 0 0 "[ . 1]" 1
156 1 94 HIS HA 1 94 HIS HB3 2.800 . 2.800 2.657 2.376 2.820 0.020 6 0 "[ . 1]" 1
157 1 107 GLU HB2 1 107 GLU HG3 2.500 . 2.500 2.515 2.329 3.006 0.506 3 1 "[ + . 1]" 1
158 1 86 ARG HA 1 86 ARG HG3 2.500 . 2.500 2.577 2.569 2.581 0.081 10 0 "[ . 1]" 1
159 1 90 SER HA 1 93 GLU QB 4.000 . 4.000 2.658 2.486 3.859 . 0 0 "[ . 1]" 1
160 1 17 ILE HA 1 20 HIS HD2 4.000 . 4.000 4.079 4.066 4.110 0.110 7 0 "[ . 1]" 1
161 1 56 ALA HA 1 59 LYS QG 4.000 . 4.000 3.743 3.301 4.016 0.016 6 0 "[ . 1]" 1
162 1 79 MET HA 1 79 MET QB . . 2.800 2.418 2.154 2.466 . 0 0 "[ . 1]" 1
163 1 107 GLU HB3 1 107 GLU HG2 2.500 . 2.500 2.645 2.330 3.008 0.508 7 3 "[ -. + *]" 1
164 1 74 LEU HA 1 74 LEU HB3 2.800 . 2.800 2.965 2.958 2.969 0.169 9 0 "[ . 1]" 1
165 1 14 CYS QB 1 47 CYS HB2 4.000 . 4.000 3.215 2.113 4.497 0.497 9 0 "[ . 1]" 1
166 1 23 GLU HA 1 23 GLU HB2 2.800 . 2.800 2.964 2.934 2.981 0.181 9 0 "[ . 1]" 1
167 1 67 GLN HB2 1 67 GLN QG 2.800 . 2.800 2.286 2.136 2.461 . 0 0 "[ . 1]" 1
168 1 86 ARG HB3 1 86 ARG HG3 2.800 . 2.800 2.972 2.970 2.974 0.174 10 0 "[ . 1]" 1
169 1 91 VAL HA 1 92 PRO HD3 4.000 . 4.000 3.878 3.731 4.203 0.203 10 0 "[ . 1]" 1
170 1 83 ASP HA 1 83 ASP HB2 2.800 . 2.800 2.626 2.587 2.657 . 0 0 "[ . 1]" 1
171 1 47 CYS HA 1 47 CYS HB2 2.800 . 2.800 2.783 2.546 2.979 0.179 10 0 "[ . 1]" 1
172 1 60 LEU HA 1 63 ARG QG 4.000 . 4.000 3.408 2.434 4.039 0.039 5 0 "[ . 1]" 1
173 1 74 LEU HA 1 74 LEU MD1 2.800 . 2.800 2.939 2.921 2.977 0.177 2 0 "[ . 1]" 1
174 1 70 VAL HA 1 71 PRO HD2 2.500 . 2.500 2.325 2.199 2.523 0.023 5 0 "[ . 1]" 1
175 1 56 ALA HA 1 59 LYS HB3 5.000 . 5.000 4.458 3.828 4.792 . 0 0 "[ . 1]" 1
176 1 87 SER HA 1 87 SER HB2 2.800 . 2.800 2.484 2.402 2.846 0.046 6 0 "[ . 1]" 1
177 1 33 ASP HA 1 33 ASP QB 2.800 . 2.800 2.499 2.409 2.553 . 0 0 "[ . 1]" 1
178 1 21 LEU HA 1 24 PHE HB2 3.500 . 3.500 3.432 3.253 3.528 0.028 6 0 "[ . 1]" 1
179 1 58 LYS H 1 58 LYS QB 3.500 . 3.500 2.264 2.202 2.365 . 0 0 "[ . 1]" 1
180 1 102 SER HA 1 102 SER HB3 2.800 . 2.800 2.572 2.416 3.028 0.228 2 0 "[ . 1]" 1
181 1 91 VAL HA 1 94 HIS HE1 4.000 . 4.000 3.870 3.431 4.014 0.014 9 0 "[ . 1]" 1
182 1 93 GLU H 1 93 GLU HA 2.500 . 2.500 2.647 2.613 2.690 0.190 8 0 "[ . 1]" 1
183 1 31 ASP HA 1 34 ALA MB 5.000 . 5.000 2.113 2.030 2.435 . 0 0 "[ . 1]" 1
184 1 21 LEU HA 1 21 LEU MD2 3.500 . 3.500 1.927 1.898 1.950 . 0 0 "[ . 1]" 1
185 1 89 GLN HA 1 92 PRO HD2 4.000 . 4.000 3.773 3.222 4.048 0.048 8 0 "[ . 1]" 1
186 1 77 LYS HA 1 77 LYS HB3 2.500 . 2.500 2.631 2.622 2.641 0.141 6 0 "[ . 1]" 1
187 1 87 SER HA 1 87 SER HB3 2.800 . 2.800 2.515 2.438 2.849 0.049 6 0 "[ . 1]" 1
188 1 85 ILE H 1 85 ILE HB 2.800 . 2.800 2.576 2.434 2.687 . 0 0 "[ . 1]" 1
189 1 38 GLU HA 1 38 GLU HB2 2.800 . 2.800 3.009 2.995 3.027 0.227 4 0 "[ . 1]" 1
190 1 63 ARG HB2 1 63 ARG QG 2.800 . 2.800 2.215 2.113 2.387 . 0 0 "[ . 1]" 1
191 1 67 GLN HA 1 67 GLN HG3 4.000 . 4.000 2.917 2.190 3.651 . 0 0 "[ . 1]" 1
192 1 43 GLU HA 1 43 GLU QB 2.800 . 2.800 2.256 2.170 2.328 . 0 0 "[ . 1]" 1
193 1 74 LEU HA 1 74 LEU HB2 2.800 2.100 2.800 2.588 2.545 2.603 . 0 0 "[ . 1]" 1
194 1 34 ALA HA 1 37 PHE QD 3.500 . 3.500 2.882 2.674 3.041 . 0 0 "[ . 1]" 1
195 1 106 GLN HA 1 106 GLN HB3 2.800 . 2.800 2.853 2.440 3.029 0.229 3 0 "[ . 1]" 1
196 1 96 VAL HA 1 96 VAL HB 2.800 . 2.800 2.575 2.411 2.997 0.197 10 0 "[ . 1]" 1
197 1 74 LEU HA 1 74 LEU HG 3.500 2.500 3.500 3.585 3.578 3.605 0.105 2 0 "[ . 1]" 1
198 1 10 HIS HA 1 10 HIS QB 2.800 . 2.800 2.421 2.397 2.443 . 0 0 "[ . 1]" 1
199 1 82 LEU H 1 82 LEU QB 3.500 . 3.500 2.259 2.195 2.435 . 0 0 "[ . 1]" 1
200 1 94 HIS HB2 1 94 HIS HD2 4.000 . 4.000 3.725 2.725 3.975 . 0 0 "[ . 1]" 1
201 1 82 LEU HA 1 85 ILE HB 5.000 . 5.000 4.219 3.672 5.003 0.003 9 0 "[ . 1]" 1
202 1 82 LEU HA 1 82 LEU MD1 3.500 . 3.500 2.274 1.821 3.583 0.083 2 0 "[ . 1]" 1
203 1 90 SER HA 1 90 SER QB 2.800 . 2.800 2.392 2.359 2.443 . 0 0 "[ . 1]" 1
204 1 17 ILE HA 1 17 ILE QG 4.000 . 4.000 2.213 2.185 2.290 . 0 0 "[ . 1]" 1
205 1 27 LYS HA 1 27 LYS HD2 4.000 . 4.000 4.207 4.054 4.793 0.793 5 2 "[ + -1]" 1
206 1 59 LYS HA 1 59 LYS QD 4.000 . 4.000 1.869 1.822 1.888 . 0 0 "[ . 1]" 1
207 1 60 LEU HA 1 60 LEU HG 3.500 . 3.500 3.661 3.654 3.678 0.178 10 0 "[ . 1]" 1
208 1 23 GLU HA 1 23 GLU HG2 4.000 . 4.000 2.447 2.370 2.619 . 0 0 "[ . 1]" 1
209 1 73 ASP HA 1 76 ALA MB 5.000 . 5.000 3.277 3.164 3.496 . 0 0 "[ . 1]" 1
210 1 24 PHE H 1 24 PHE HB3 2.800 . 2.800 2.621 2.558 2.708 . 0 0 "[ . 1]" 1
211 1 76 ALA HA 1 79 MET QB 4.000 . 4.000 3.885 3.692 3.955 . 0 0 "[ . 1]" 1
212 1 73 ASP HA 1 73 ASP HB2 2.800 . 2.800 2.801 2.480 3.027 0.227 5 0 "[ . 1]" 1
213 1 18 LEU HA 1 21 LEU MD1 5.000 . 5.000 3.135 2.972 3.462 . 0 0 "[ . 1]" 1
214 1 79 MET HA 1 79 MET QG 3.500 . 3.500 2.457 2.336 3.286 . 0 0 "[ . 1]" 1
215 1 85 ILE HA 1 88 GLY HA2 4.000 . 4.000 3.705 3.002 4.021 0.021 7 0 "[ . 1]" 1
216 1 75 ARG HA 1 75 ARG QB 2.800 . 2.800 2.305 2.287 2.334 . 0 0 "[ . 1]" 1
217 1 79 MET HA 1 82 LEU MD2 6.000 . 6.000 3.740 3.051 4.752 . 0 0 "[ . 1]" 1
218 1 24 PHE H 1 24 PHE HB2 2.800 . 2.800 2.331 2.257 2.409 . 0 0 "[ . 1]" 1
219 1 67 GLN HB3 1 67 GLN QG 2.500 . 2.500 2.270 2.122 2.433 . 0 0 "[ . 1]" 1
220 1 62 LYS HA 1 62 LYS HG2 4.000 . 4.000 2.274 2.171 2.523 . 0 0 "[ . 1]" 1
221 1 42 GLU HA 1 42 GLU HB2 2.800 . 2.800 2.979 2.962 2.988 0.188 1 0 "[ . 1]" 1
222 1 77 LYS HA 1 77 LYS HD3 4.000 . 4.000 3.641 3.544 3.731 . 0 0 "[ . 1]" 1
223 1 74 LEU HA 1 77 LYS HB3 4.000 . 4.000 4.022 3.879 4.078 0.078 6 0 "[ . 1]" 1
224 1 18 LEU HA 1 18 LEU HG 3.500 . 3.500 3.433 3.209 3.503 0.003 8 0 "[ . 1]" 1
225 1 67 GLN HA 1 67 GLN QG 2.800 . 2.800 2.298 2.166 2.488 . 0 0 "[ . 1]" 1
226 1 77 LYS H 1 77 LYS HA 2.800 2.100 2.800 2.894 2.885 2.905 0.105 9 0 "[ . 1]" 1
227 1 35 VAL HA 1 35 VAL MG1 3.500 . 3.500 2.188 2.178 2.193 . 0 0 "[ . 1]" 1
228 1 76 ALA H 1 76 ALA HA 2.800 . 2.800 2.764 2.747 2.788 . 0 0 "[ . 1]" 1
229 1 89 GLN HA 1 89 GLN HB2 2.800 . 2.800 2.946 2.753 2.989 0.189 7 0 "[ . 1]" 1
230 1 108 SER HA 1 108 SER QB 2.500 . 2.500 2.389 2.376 2.399 . 0 0 "[ . 1]" 1
231 1 77 LYS HA 1 77 LYS HB2 2.800 . 2.800 2.952 2.947 2.954 0.154 9 0 "[ . 1]" 1
232 1 61 VAL HA 1 61 VAL HB 2.800 . 2.800 3.000 2.999 3.001 0.201 8 0 "[ . 1]" 1
233 1 67 GLN HA 1 67 GLN HB3 2.800 . 2.800 2.720 2.599 2.850 0.050 10 0 "[ . 1]" 1
234 1 22 TYR HA 1 25 LEU HB3 4.000 . 4.000 4.026 3.651 4.378 0.378 9 0 "[ . 1]" 1
235 1 107 GLU HA 1 107 GLU HB2 2.500 . 2.500 2.657 2.361 2.999 0.499 7 0 "[ . 1]" 1
236 1 56 ALA HA 1 59 LYS HB2 5.000 . 5.000 3.050 2.439 3.359 . 0 0 "[ . 1]" 1
237 1 94 HIS HB3 1 94 HIS HD2 4.000 . 4.000 2.893 2.689 3.511 . 0 0 "[ . 1]" 1
238 1 17 ILE HA 1 17 ILE MD 3.500 . 3.500 3.408 2.411 3.534 0.034 2 0 "[ . 1]" 1
239 1 62 LYS HA 1 62 LYS HB2 2.800 . 2.800 2.990 2.968 3.008 0.208 7 0 "[ . 1]" 1
240 1 93 GLU HA 1 93 GLU HG2 3.500 . 3.500 2.398 2.211 3.665 0.165 8 0 "[ . 1]" 1
241 1 58 LYS HA 1 61 VAL QG 6.000 . 6.000 3.318 3.075 3.555 . 0 0 "[ . 1]" 1
242 1 27 LYS HA 1 27 LYS QG 4.000 . 4.000 3.380 3.375 3.383 . 0 0 "[ . 1]" 1
243 1 47 CYS H 1 47 CYS HB3 3.500 . 3.500 3.175 2.778 3.575 0.075 10 0 "[ . 1]" 1
244 1 25 LEU MD1 1 26 ASP H 5.000 . 5.000 4.779 4.654 4.843 . 0 0 "[ . 1]" 1
245 1 75 ARG QB 1 76 ALA H 2.500 . 2.500 2.289 2.163 2.363 . 0 0 "[ . 1]" 1
246 1 63 ARG QG 1 64 ALA H 3.500 . 3.500 3.721 3.673 3.770 0.270 5 0 "[ . 1]" 1
247 1 13 ASP H 1 13 ASP HB2 3.500 . 3.500 3.541 3.508 3.611 0.111 3 0 "[ . 1]" 1
248 1 22 TYR H 1 22 TYR QD 5.000 3.300 5.000 4.192 4.149 4.217 . 0 0 "[ . 1]" 1
249 1 82 LEU H 1 84 LEU H 5.000 . 5.000 3.677 3.506 3.790 . 0 0 "[ . 1]" 1
250 1 54 GLU HB3 1 55 GLN H 3.500 . 3.500 3.429 3.103 3.651 0.151 5 0 "[ . 1]" 1
251 1 31 ASP H 1 32 SER H 2.800 . 2.800 2.879 2.828 2.904 0.104 2 0 "[ . 1]" 1
252 1 61 VAL HB 1 62 LYS H 2.800 . 2.800 2.632 2.556 2.667 . 0 0 "[ . 1]" 1
253 1 18 LEU MD2 1 19 ASP H 5.000 . 5.000 4.490 4.359 4.525 . 0 0 "[ . 1]" 1
254 1 63 ARG HB3 1 64 ALA H 3.500 . 3.500 2.262 1.841 3.296 . 0 0 "[ . 1]" 1
255 1 60 LEU H 1 60 LEU HB3 2.500 . 2.500 2.242 2.235 2.248 . 0 0 "[ . 1]" 1
256 1 78 VAL H 1 78 VAL HA 2.800 . 2.800 2.816 2.805 2.826 0.026 4 0 "[ . 1]" 1
257 1 19 ASP HA 1 20 HIS H 3.500 . 3.500 3.483 3.471 3.511 0.011 7 0 "[ . 1]" 1
258 1 40 HIS H 1 40 HIS HB3 3.500 . 3.500 2.672 2.485 2.884 . 0 0 "[ . 1]" 1
259 1 41 PHE HB3 1 42 GLU H 3.500 . 3.500 3.720 3.595 3.834 0.334 1 0 "[ . 1]" 1
260 1 74 LEU MD1 1 75 ARG H 3.500 . 3.500 3.546 3.529 3.582 0.082 2 0 "[ . 1]" 1
261 1 86 ARG H 1 86 ARG QB 2.500 . 2.500 2.252 2.240 2.270 . 0 0 "[ . 1]" 1
262 1 60 LEU MD1 1 61 VAL H 3.500 . 3.500 3.553 3.533 3.594 0.094 6 0 "[ . 1]" 1
263 1 60 LEU MD2 1 63 ARG H 5.000 3.300 5.000 5.016 4.993 5.040 0.040 3 0 "[ . 1]" 1
264 1 36 LYS H 1 36 LYS HA 2.800 . 2.800 2.904 2.899 2.909 0.109 6 0 "[ . 1]" 1
265 1 42 GLU H 1 42 GLU HB2 2.500 . 2.500 2.292 2.231 2.369 . 0 0 "[ . 1]" 1
266 1 26 ASP H 1 26 ASP HB3 3.500 . 3.500 2.730 2.587 2.844 . 0 0 "[ . 1]" 1
267 1 83 ASP HA 1 84 LEU H 3.500 . 3.500 3.501 3.392 3.540 0.040 5 0 "[ . 1]" 1
268 1 18 LEU H 1 18 LEU HG 5.000 . 5.000 4.134 2.162 4.375 . 0 0 "[ . 1]" 1
269 1 59 LYS H 1 59 LYS QD 3.500 . 3.500 3.599 3.585 3.612 0.112 9 0 "[ . 1]" 1
270 1 74 LEU MD2 1 77 LYS H 3.500 . 3.500 3.637 3.623 3.657 0.157 1 0 "[ . 1]" 1
271 1 87 SER H 1 88 GLY H 3.500 . 3.500 2.253 1.972 2.351 . 0 0 "[ . 1]" 1
272 1 31 ASP QB 1 32 SER H 3.500 . 3.500 3.694 3.673 3.711 0.211 2 0 "[ . 1]" 1
273 1 83 ASP HB2 1 84 LEU H 4.000 . 4.000 3.814 3.670 3.966 . 0 0 "[ . 1]" 1
274 1 33 ASP HB3 1 34 ALA H 3.500 . 3.500 3.080 2.775 3.502 0.002 9 0 "[ . 1]" 1
275 1 23 GLU HB3 1 24 PHE H 3.500 . 3.500 3.317 2.897 3.502 0.002 6 0 "[ . 1]" 1
276 1 27 LYS H 1 28 GLU H 2.800 . 2.800 2.482 2.331 2.681 . 0 0 "[ . 1]" 1
277 1 11 GLU HA 1 14 CYS H 5.000 3.300 5.000 5.191 5.160 5.300 0.300 5 0 "[ . 1]" 1
278 1 67 GLN H 1 67 GLN QG 3.500 . 3.500 3.513 3.084 3.597 0.097 7 0 "[ . 1]" 1
279 1 14 CYS QB 1 15 SER H 3.500 . 3.500 2.702 2.331 3.231 . 0 0 "[ . 1]" 1
280 1 96 VAL H 1 97 ALA H 3.500 . 3.500 3.384 2.877 3.597 0.097 4 0 "[ . 1]" 1
281 1 80 GLY H 1 81 ARG H 3.500 . 3.500 2.738 2.587 2.813 . 0 0 "[ . 1]" 1
282 1 27 LYS QG 1 28 GLU H 3.500 . 3.500 2.464 2.329 3.534 0.034 5 0 "[ . 1]" 1
283 1 68 ASP H 1 68 ASP HB2 2.800 . 2.800 2.365 2.161 2.991 0.191 4 0 "[ . 1]" 1
284 1 18 LEU H 1 18 LEU MD1 5.000 . 5.000 4.078 3.661 4.146 . 0 0 "[ . 1]" 1
285 1 16 GLU H 1 17 ILE H 2.800 2.100 2.800 3.017 2.991 3.041 0.241 6 0 "[ . 1]" 1
286 1 79 MET H 1 79 MET QB . 2.500 2.500 2.260 2.215 2.326 0.285 10 0 "[ . 1]" 1
287 1 82 LEU H 1 83 ASP HB2 5.000 . 5.000 3.894 3.785 3.984 . 0 0 "[ . 1]" 1
288 1 63 ARG H 1 63 ARG QG 2.500 . 2.500 2.481 2.253 2.576 0.076 3 0 "[ . 1]" 1
289 1 40 HIS H 1 40 HIS HB2 3.500 . 3.500 2.517 2.405 2.634 . 0 0 "[ . 1]" 1
290 1 28 GLU HA 1 29 MET H 3.500 . 3.500 2.373 2.204 2.521 . 0 0 "[ . 1]" 1
291 1 35 VAL HA 1 38 GLU H 3.500 . 3.500 3.593 3.549 3.620 0.120 7 0 "[ . 1]" 1
292 1 40 HIS HA 1 41 PHE H 3.500 . 3.500 3.357 3.317 3.425 . 0 0 "[ . 1]" 1
293 1 59 LYS HB3 1 60 LEU H 2.800 . 2.800 2.984 2.962 3.033 0.233 10 0 "[ . 1]" 1
294 1 17 ILE H 1 17 ILE HA 2.800 . 2.800 2.875 2.864 2.881 0.081 4 0 "[ . 1]" 1
295 1 26 ASP HA 1 27 LYS H 3.500 . 3.500 3.576 3.570 3.581 0.081 9 0 "[ . 1]" 1
296 1 16 GLU HA 1 19 ASP H 3.500 . 3.500 3.604 3.572 3.634 0.134 1 0 "[ . 1]" 1
297 1 23 GLU HB2 1 24 PHE H 2.800 . 2.800 2.787 2.642 2.820 0.020 5 0 "[ . 1]" 1
298 1 16 GLU HA 1 17 ILE H 3.500 . 3.500 3.565 3.555 3.571 0.071 9 0 "[ . 1]" 1
299 1 20 HIS HA 1 23 GLU H 3.500 . 3.500 3.557 3.531 3.581 0.081 5 0 "[ . 1]" 1
300 1 14 CYS HA 1 15 SER H 3.500 2.500 3.500 3.501 3.338 3.554 0.054 7 0 "[ . 1]" 1
301 1 16 GLU HB3 1 17 ILE H 3.500 . 3.500 2.710 2.354 3.403 . 0 0 "[ . 1]" 1
302 1 18 LEU HB3 1 19 ASP H 2.800 . 2.800 2.683 2.595 3.255 0.455 7 0 "[ . 1]" 1
303 1 60 LEU HG 1 61 VAL H 3.500 . 3.500 1.824 1.800 1.848 . 0 0 "[ . 1]" 1
304 1 13 ASP HB2 1 14 CYS H 3.500 . 3.500 3.529 3.278 3.680 0.180 5 0 "[ . 1]" 1
305 1 27 LYS HB3 1 28 GLU H 5.000 3.300 5.000 4.175 4.123 4.546 . 0 0 "[ . 1]" 1
306 1 16 GLU HB2 1 17 ILE H 3.500 . 3.500 3.229 2.369 3.526 0.026 10 0 "[ . 1]" 1
307 1 19 ASP QB 1 20 HIS H 2.800 . 2.800 2.794 2.744 2.811 0.011 2 0 "[ . 1]" 1
308 1 78 VAL MG1 1 79 MET H 3.500 . 3.500 3.686 3.555 3.771 0.271 6 0 "[ . 1]" 1
309 1 44 SER QB 1 45 SER H 2.800 . 2.800 2.278 1.948 2.817 0.017 1 0 "[ . 1]" 1
310 1 17 ILE H 1 19 ASP H 4.000 . 4.000 4.001 3.963 4.042 0.042 7 0 "[ . 1]" 1
311 1 77 LYS H 1 77 LYS QD 2.500 . 2.500 2.525 2.517 2.539 0.039 7 0 "[ . 1]" 1
312 1 45 SER H 1 45 SER QB 3.500 . 3.500 2.408 2.084 2.963 . 0 0 "[ . 1]" 1
313 1 31 ASP H 1 31 ASP QB 2.500 . 2.500 2.277 2.225 2.373 . 0 0 "[ . 1]" 1
314 1 25 LEU MD2 1 26 ASP H 5.000 . 5.000 4.792 4.726 4.885 . 0 0 "[ . 1]" 1
315 1 22 TYR QD 1 83 ASP H 5.000 3.300 5.000 4.853 4.617 5.010 0.010 1 0 "[ . 1]" 1
316 1 38 GLU H 1 38 GLU HG3 3.500 . 3.500 2.342 2.306 2.413 . 0 0 "[ . 1]" 1
317 1 86 ARG H 1 86 ARG HG3 2.500 . 2.500 2.552 2.544 2.557 0.057 8 0 "[ . 1]" 1
318 1 81 ARG H 1 82 LEU H 2.800 . 2.800 2.559 2.518 2.634 . 0 0 "[ . 1]" 1
319 1 24 PHE HB3 1 25 LEU H 3.500 . 3.500 2.336 2.291 2.410 . 0 0 "[ . 1]" 1
320 1 36 LYS HA 1 37 PHE H 3.500 . 3.500 3.118 3.096 3.146 . 0 0 "[ . 1]" 1
321 1 82 LEU H 1 83 ASP HB3 5.000 . 5.000 4.496 4.442 4.574 . 0 0 "[ . 1]" 1
322 1 8 GLU H 1 8 GLU QG 3.500 . 3.500 2.775 2.037 3.217 . 0 0 "[ . 1]" 1
323 1 60 LEU H 1 60 LEU HB2 3.500 2.500 3.500 3.536 3.533 3.538 0.038 8 0 "[ . 1]" 1
324 1 47 CYS H 1 47 CYS HB2 3.500 . 3.500 2.765 2.167 3.586 0.086 9 0 "[ . 1]" 1
325 1 23 GLU H 1 23 GLU QB 2.500 . 2.500 2.229 2.131 2.291 . 0 0 "[ . 1]" 1
326 1 41 PHE HA 1 42 GLU H 3.500 . 3.500 3.258 3.239 3.282 . 0 0 "[ . 1]" 1
327 1 23 GLU H 1 23 GLU QG 2.800 . 2.800 2.689 2.555 2.885 0.085 7 0 "[ . 1]" 1
328 1 14 CYS H 1 15 SER H 3.500 . 3.500 2.588 2.387 2.860 . 0 0 "[ . 1]" 1
329 1 59 LYS H 1 60 LEU H 3.500 . 3.500 2.798 2.729 2.861 . 0 0 "[ . 1]" 1
330 1 21 LEU MD2 1 24 PHE H 5.000 . 5.000 5.042 5.017 5.072 0.072 6 0 "[ . 1]" 1
331 1 31 ASP HA 1 32 SER H 3.500 . 3.500 3.013 2.981 3.048 . 0 0 "[ . 1]" 1
332 1 78 VAL MG2 1 79 MET H 3.500 . 3.500 3.264 2.273 3.767 0.267 4 0 "[ . 1]" 1
333 1 24 PHE H 1 24 PHE HA 2.800 . 2.800 2.804 2.759 2.829 0.029 5 0 "[ . 1]" 1
334 1 43 GLU H 1 43 GLU QB 2.800 . 2.800 2.835 2.625 3.031 0.231 5 0 "[ . 1]" 1
335 1 84 LEU HA 1 85 ILE H 3.500 2.500 3.500 3.544 3.526 3.561 0.061 5 0 "[ . 1]" 1
336 1 28 GLU H 1 28 GLU HA 2.800 . 2.800 2.294 2.238 2.745 . 0 0 "[ . 1]" 1
337 1 18 LEU H 1 19 ASP H 2.800 . 2.800 2.556 2.505 2.588 . 0 0 "[ . 1]" 1
338 1 67 GLN H 1 67 GLN HB3 3.500 . 3.500 3.392 3.209 3.530 0.030 6 0 "[ . 1]" 1
339 1 9 PRO HA 1 10 HIS H 3.500 . 3.500 2.237 2.206 2.304 . 0 0 "[ . 1]" 1
340 1 43 GLU H 1 43 GLU HG3 2.800 . 2.800 3.053 2.350 3.527 0.727 10 4 "[* . *-+]" 1
341 1 18 LEU HA 1 19 ASP H 3.500 . 3.500 3.508 3.432 3.524 0.024 8 0 "[ . 1]" 1
342 1 62 LYS H 1 62 LYS QG 2.800 . 2.800 2.727 2.623 2.823 0.023 6 0 "[ . 1]" 1
343 1 32 SER H 1 33 ASP H 3.500 . 3.500 2.711 2.695 2.735 . 0 0 "[ . 1]" 1
344 1 38 GLU H 1 38 GLU QB 2.800 . 2.800 2.386 2.349 2.416 . 0 0 "[ . 1]" 1
345 1 73 ASP HA 1 76 ALA H 3.500 . 3.500 3.602 3.579 3.617 0.117 1 0 "[ . 1]" 1
346 1 18 LEU HG 1 19 ASP H 3.500 . 3.500 3.674 3.644 3.837 0.337 7 0 "[ . 1]" 1
347 1 60 LEU HB3 1 61 VAL H 3.500 2.500 3.500 3.667 3.637 3.684 0.184 4 0 "[ . 1]" 1
348 1 93 GLU H 1 93 GLU HG3 2.800 . 2.800 2.675 2.359 2.820 0.020 10 0 "[ . 1]" 1
349 1 74 LEU H 1 74 LEU HB3 2.800 . 2.800 2.825 2.775 2.844 0.044 9 0 "[ . 1]" 1
350 1 85 ILE H 1 85 ILE HA 2.800 . 2.800 2.822 2.801 2.830 0.030 1 0 "[ . 1]" 1
351 1 76 ALA MB 1 77 LYS H 2.800 . 2.800 2.795 2.742 2.838 0.038 2 0 "[ . 1]" 1
352 1 28 GLU H 1 28 GLU QB 2.800 . 2.800 2.787 2.242 2.882 0.082 6 0 "[ . 1]" 1
353 1 19 ASP HA 1 22 TYR H 3.500 . 3.500 3.301 3.222 3.514 0.014 7 0 "[ . 1]" 1
354 1 90 SER H 1 91 VAL H 2.500 . 2.500 2.415 2.229 2.631 0.131 7 0 "[ . 1]" 1
355 1 23 GLU HA 1 26 ASP H 3.500 . 3.500 3.356 3.213 3.492 . 0 0 "[ . 1]" 1
356 1 17 ILE H 1 17 ILE HB 2.500 . 2.500 2.530 2.330 2.561 0.061 9 0 "[ . 1]" 1
357 1 41 PHE H 1 41 PHE HB2 2.800 . 2.800 2.075 2.034 2.115 . 0 0 "[ . 1]" 1
358 1 80 GLY H 1 82 LEU H 5.000 . 5.000 4.236 4.148 4.292 . 0 0 "[ . 1]" 1
359 1 63 ARG HB2 1 64 ALA H 3.500 . 3.500 1.998 1.860 2.161 . 0 0 "[ . 1]" 1
360 1 62 LYS H 1 62 LYS QB 2.500 . 2.500 2.248 2.207 2.280 . 0 0 "[ . 1]" 1
361 1 37 PHE H 1 37 PHE QD 5.000 . 5.000 3.320 3.192 3.408 . 0 0 "[ . 1]" 1
362 1 30 PRO HB3 1 31 ASP H 3.500 . 3.500 2.865 2.699 3.639 0.139 5 0 "[ . 1]" 1
363 1 36 LYS H 1 36 LYS QB 2.800 . 2.800 2.312 2.297 2.332 . 0 0 "[ . 1]" 1
364 1 18 LEU H 1 18 LEU MD2 5.000 . 5.000 4.025 3.085 4.172 . 0 0 "[ . 1]" 1
365 1 42 GLU HA 1 43 GLU H 3.500 . 3.500 3.537 3.465 3.558 0.058 2 0 "[ . 1]" 1
366 1 63 ARG H 1 63 ARG HB2 2.500 . 2.500 2.354 2.260 2.544 0.044 4 0 "[ . 1]" 1
367 1 22 TYR QE 1 83 ASP H 5.000 . 5.000 3.096 2.969 3.186 . 0 0 "[ . 1]" 1
368 1 56 ALA H 1 57 VAL H 3.500 . 3.500 2.837 2.689 3.056 . 0 0 "[ . 1]" 1
369 1 79 MET H 1 79 MET HA 2.800 . 2.800 2.810 2.798 2.825 0.025 9 0 "[ . 1]" 1
370 1 55 GLN HB3 1 56 ALA H 2.800 . 2.800 2.181 2.015 3.000 0.200 10 0 "[ . 1]" 1
371 1 22 TYR HB3 1 23 GLU H 2.800 . 2.800 2.331 2.292 2.368 . 0 0 "[ . 1]" 1
372 1 25 LEU HA 1 26 ASP H 3.500 . 3.500 3.513 3.505 3.525 0.025 7 0 "[ . 1]" 1
373 1 77 LYS HB2 1 78 VAL H 3.500 . 3.500 3.296 3.070 3.417 . 0 0 "[ . 1]" 1
374 1 17 ILE MG 1 18 LEU H 3.500 . 3.500 2.237 2.092 2.291 . 0 0 "[ . 1]" 1
375 1 74 LEU H 1 74 LEU HB2 2.800 . 2.800 2.254 2.226 2.306 . 0 0 "[ . 1]" 1
376 1 22 TYR HA 1 23 GLU H 3.500 . 3.500 3.554 3.548 3.562 0.062 7 0 "[ . 1]" 1
377 1 24 PHE H 1 24 PHE QD 5.000 . 5.000 4.113 4.062 4.156 . 0 0 "[ . 1]" 1
378 1 61 VAL H 1 62 LYS H 2.800 . 2.800 2.598 2.544 2.669 . 0 0 "[ . 1]" 1
379 1 77 LYS H 1 78 VAL H 3.500 . 3.500 2.396 2.342 2.451 . 0 0 "[ . 1]" 1
380 1 67 GLN H 1 67 GLN HB2 2.800 . 2.800 2.182 2.115 2.262 . 0 0 "[ . 1]" 1
381 1 40 HIS H 1 41 PHE H 2.800 . 2.800 2.652 2.571 2.747 . 0 0 "[ . 1]" 1
382 1 31 ASP HA 1 34 ALA H 3.500 . 3.500 3.531 3.509 3.595 0.095 5 0 "[ . 1]" 1
383 1 78 VAL H 1 78 VAL HB 2.500 . 2.500 2.539 2.498 2.605 0.105 9 0 "[ . 1]" 1
384 1 20 HIS HB2 1 21 LEU H 3.500 . 3.500 2.797 2.537 2.866 . 0 0 "[ . 1]" 1
385 1 86 ARG H 1 87 SER H 4.000 . 4.000 2.808 2.774 2.857 . 0 0 "[ . 1]" 1
386 1 36 LYS H 1 37 PHE H 2.800 . 2.800 2.489 2.419 2.538 . 0 0 "[ . 1]" 1
387 1 24 PHE HB2 1 25 LEU H 3.500 . 3.500 3.609 3.578 3.632 0.132 6 0 "[ . 1]" 1
388 1 41 PHE H 1 42 GLU H 2.500 . 2.500 2.332 2.219 2.423 . 0 0 "[ . 1]" 1
389 1 57 VAL HB 1 58 LYS H 4.000 . 4.000 3.688 2.710 3.894 . 0 0 "[ . 1]" 1
390 1 89 GLN H 1 89 GLN HG3 4.000 . 4.000 3.237 2.754 4.087 0.087 2 0 "[ . 1]" 1
391 1 56 ALA MB 1 57 VAL H 4.000 . 4.000 2.799 2.245 2.967 . 0 0 "[ . 1]" 1
392 1 57 VAL H 1 57 VAL MG2 4.000 . 4.000 2.431 2.034 2.969 . 0 0 "[ . 1]" 1
393 1 66 GLY HA3 1 67 GLN H 4.000 . 4.000 2.577 2.413 2.734 . 0 0 "[ . 1]" 1
394 1 27 LYS H 1 27 LYS HB3 2.800 . 2.800 2.594 2.549 2.808 0.008 5 0 "[ . 1]" 1
395 1 89 GLN H 1 89 GLN HG2 4.000 . 4.000 3.932 3.382 4.074 0.074 2 0 "[ . 1]" 1
396 1 75 ARG H 1 76 ALA H 2.800 . 2.800 2.953 2.861 2.978 0.178 4 0 "[ . 1]" 1
397 1 55 GLN H 1 55 GLN QG 5.000 2.800 5.000 3.894 2.501 4.089 0.299 10 0 "[ . 1]" 1
398 1 15 SER HB3 1 16 GLU H 5.000 . 5.000 3.277 2.186 3.900 . 0 0 "[ . 1]" 1
399 1 15 SER HA 1 16 GLU H 5.000 . 5.000 3.565 3.552 3.574 . 0 0 "[ . 1]" 1
400 1 67 GLN HE21 1 67 GLN QG 3.500 2.500 3.500 2.340 2.194 2.491 0.306 1 0 "[ . 1]" 1
401 1 67 GLN HA 1 68 ASP H 3.500 . 3.500 3.455 3.371 3.552 0.052 4 0 "[ . 1]" 1
402 1 21 LEU H 1 22 TYR H 4.000 . 4.000 2.668 2.623 2.760 . 0 0 "[ . 1]" 1
403 1 89 GLN H 1 89 GLN HB3 3.500 . 3.500 3.476 2.984 3.605 0.105 8 0 "[ . 1]" 1
404 1 17 ILE H 1 17 ILE MG 4.000 . 4.000 2.249 2.178 2.731 . 0 0 "[ . 1]" 1
405 1 61 VAL H 1 61 VAL HB 2.800 . 2.800 2.531 2.458 2.581 . 0 0 "[ . 1]" 1
406 1 80 GLY HA3 1 81 ARG H 4.000 . 4.000 3.059 3.026 3.096 . 0 0 "[ . 1]" 1
407 1 81 ARG H 1 81 ARG QB 2.800 . 2.800 2.089 2.045 2.116 . 0 0 "[ . 1]" 1
408 1 35 VAL H 1 35 VAL MG2 3.500 . 3.500 2.762 2.744 2.815 . 0 0 "[ . 1]" 1
409 1 87 SER H 1 87 SER HB3 4.000 . 4.000 2.820 2.655 3.244 . 0 0 "[ . 1]" 1
410 1 27 LYS H 1 27 LYS HG2 4.000 . 4.000 2.619 2.571 2.647 . 0 0 "[ . 1]" 1
411 1 34 ALA H 1 35 VAL H 4.000 . 4.000 3.180 3.167 3.224 . 0 0 "[ . 1]" 1
412 1 89 GLN HE22 1 89 GLN HG3 4.000 . 4.000 3.823 3.464 4.070 0.070 5 0 "[ . 1]" 1
413 1 96 VAL H 1 96 VAL QG 4.000 . 4.000 2.618 2.033 3.228 . 0 0 "[ . 1]" 1
414 1 75 ARG HA 1 78 VAL H 4.000 . 4.000 3.420 3.251 3.596 . 0 0 "[ . 1]" 1
415 1 88 GLY HA3 1 89 GLN H 4.000 . 4.000 3.465 3.175 3.547 . 0 0 "[ . 1]" 1
416 1 32 SER H 1 32 SER QB 3.500 . 3.500 2.259 2.225 2.296 . 0 0 "[ . 1]" 1
417 1 63 ARG H 1 64 ALA H 4.000 . 4.000 3.372 2.760 3.647 . 0 0 "[ . 1]" 1
418 1 59 LYS HA 1 60 LEU H 3.500 . 3.500 3.529 3.522 3.533 0.033 9 0 "[ . 1]" 1
419 1 96 VAL HA 1 97 ALA H 2.800 . 2.800 2.485 2.136 2.647 . 0 0 "[ . 1]" 1
420 1 70 VAL H 1 70 VAL HB 2.800 . 2.800 2.626 2.522 2.781 . 0 0 "[ . 1]" 1
421 1 25 LEU H 1 25 LEU MD1 5.000 . 5.000 4.007 3.785 4.090 . 0 0 "[ . 1]" 1
422 1 56 ALA HA 1 57 VAL H 5.000 . 5.000 3.555 3.490 3.586 . 0 0 "[ . 1]" 1
423 1 89 GLN H 1 89 GLN HB2 2.800 . 2.800 2.243 2.072 2.378 . 0 0 "[ . 1]" 1
424 1 69 ASP HA 1 70 VAL H 2.500 . 2.500 2.379 2.235 2.570 0.070 7 0 "[ . 1]" 1
425 1 91 VAL H 1 91 VAL HB 2.800 . 2.800 2.645 2.526 2.792 . 0 0 "[ . 1]" 1
426 1 63 ARG H 1 63 ARG HA 2.800 . 2.800 2.836 2.825 2.853 0.053 5 0 "[ . 1]" 1
427 1 57 VAL H 1 58 LYS H 4.000 . 4.000 2.518 2.410 2.969 . 0 0 "[ . 1]" 1
428 1 84 LEU H 1 84 LEU QD 5.000 . 5.000 2.979 1.940 3.214 . 0 0 "[ . 1]" 1
429 1 97 ALA H 1 98 ALA H 4.000 . 4.000 2.843 2.160 4.035 0.035 7 0 "[ . 1]" 1
430 1 54 GLU HA 1 55 GLN H 5.000 . 5.000 3.506 3.438 3.565 . 0 0 "[ . 1]" 1
431 1 90 SER H 1 90 SER QB 2.800 . 2.800 2.599 2.422 2.990 0.190 7 0 "[ . 1]" 1
432 1 84 LEU H 1 84 LEU QB . 2.500 2.800 2.282 2.196 2.405 0.304 7 0 "[ . 1]" 1
433 1 83 ASP HB3 1 84 LEU H 3.500 . 3.500 2.947 2.769 3.323 . 0 0 "[ . 1]" 1
434 1 91 VAL H 1 91 VAL QG 3.500 . 3.500 2.039 1.960 2.154 . 0 0 "[ . 1]" 1
435 1 65 ALA HA 1 66 GLY H 4.000 . 4.000 2.615 2.261 3.585 . 0 0 "[ . 1]" 1
436 1 65 ALA MB 1 66 GLY H 5.000 . 5.000 2.566 2.122 3.652 . 0 0 "[ . 1]" 1
437 1 87 SER H 1 87 SER HB2 4.000 . 4.000 3.523 2.192 3.724 . 0 0 "[ . 1]" 1
438 1 55 GLN H 1 55 GLN HB3 2.800 . 2.800 2.769 2.475 3.670 0.870 10 1 "[ . +]" 1
439 1 96 VAL H 1 96 VAL HB 2.800 . 2.800 2.809 2.700 2.895 0.095 10 0 "[ . 1]" 1
440 1 61 VAL H 1 61 VAL QG 4.000 . 4.000 2.158 2.107 2.213 . 0 0 "[ . 1]" 1
441 1 88 GLY H 1 88 GLY HA2 2.800 . 2.800 2.329 2.285 2.427 . 0 0 "[ . 1]" 1
442 1 80 GLY HA2 1 81 ARG H 4.000 . 4.000 3.500 3.459 3.517 . 0 0 "[ . 1]" 1
443 1 26 ASP H 1 27 LYS H 4.000 . 4.000 2.992 2.946 3.088 . 0 0 "[ . 1]" 1
444 1 96 VAL MG2 1 97 ALA H 4.000 . 4.000 3.954 3.719 4.056 0.056 4 0 "[ . 1]" 1
445 1 23 GLU H 1 24 PHE H 4.000 . 4.000 2.765 2.722 2.852 . 0 0 "[ . 1]" 1
446 1 88 GLY HA2 1 89 GLN H 4.000 . 4.000 2.991 2.859 3.414 . 0 0 "[ . 1]" 1
447 1 35 VAL H 1 35 VAL HB 4.000 . 4.000 2.102 2.081 2.112 . 0 0 "[ . 1]" 1
448 1 85 ILE H 1 86 ARG H 2.500 . 2.500 2.624 2.589 2.685 0.185 7 0 "[ . 1]" 1
449 1 90 SER H 1 90 SER HA 2.800 . 2.800 2.708 2.261 2.915 0.115 2 0 "[ . 1]" 1
450 1 60 LEU H 1 60 LEU MD1 4.000 . 4.000 3.229 3.170 3.321 . 0 0 "[ . 1]" 1
451 1 33 ASP H 1 33 ASP QB 3.500 . 3.500 2.208 2.083 2.422 . 0 0 "[ . 1]" 1
452 1 95 ASP HA 1 96 VAL H 2.500 . 2.500 2.380 2.164 2.613 0.113 10 0 "[ . 1]" 1
453 1 26 ASP HB2 1 27 LYS H 4.000 . 4.000 3.549 3.452 3.674 . 0 0 "[ . 1]" 1
454 1 68 ASP H 1 69 ASP H 4.000 . 4.000 2.960 2.533 3.472 . 0 0 "[ . 1]" 1
455 1 22 TYR H 1 23 GLU H 4.000 . 4.000 2.525 2.486 2.609 . 0 0 "[ . 1]" 1
456 1 26 ASP HB3 1 27 LYS H 4.000 . 4.000 2.156 2.124 2.203 . 0 0 "[ . 1]" 1
457 1 19 ASP H 1 20 HIS H 4.000 . 4.000 2.397 2.333 2.618 . 0 0 "[ . 1]" 1
458 1 93 GLU H 1 100 PRO HA 2.500 . 2.500 2.570 2.513 2.595 0.095 1 0 "[ . 1]" 1
459 1 58 LYS H 1 59 LYS H 3.500 . 3.500 2.566 2.490 2.638 . 0 0 "[ . 1]" 1
460 1 6 ALA H 1 7 GLY H 3.500 . 3.500 2.682 2.265 3.507 0.007 3 0 "[ . 1]" 1
461 1 25 LEU H 1 26 ASP H 4.000 . 4.000 2.692 2.610 2.780 . 0 0 "[ . 1]" 1
462 1 66 GLY HA2 1 67 GLN H 4.000 . 4.000 3.566 3.553 3.574 . 0 0 "[ . 1]" 1
463 1 78 VAL HA 1 81 ARG H 4.000 . 4.000 3.870 3.763 4.022 0.022 2 0 "[ . 1]" 1
464 1 16 GLU H 1 16 GLU QG 4.000 . 4.000 3.398 2.271 3.990 . 0 0 "[ . 1]" 1
465 1 73 ASP HA 1 74 LEU H 4.000 . 4.000 3.513 3.194 3.584 . 0 0 "[ . 1]" 1
466 1 59 LYS H 1 59 LYS HA 2.800 . 2.800 2.779 2.748 2.811 0.011 6 0 "[ . 1]" 1
467 1 15 SER H 1 16 GLU H 3.500 . 3.500 2.980 2.823 3.144 . 0 0 "[ . 1]" 1
468 1 84 LEU H 1 84 LEU HG 2.800 . 2.800 2.723 2.451 3.038 0.238 5 0 "[ . 1]" 1
469 1 64 ALA H 1 64 ALA MB 3.500 . 3.500 2.749 2.252 2.875 . 0 0 "[ . 1]" 1
470 1 15 SER HB2 1 16 GLU H 5.000 . 5.000 3.317 2.315 3.645 . 0 0 "[ . 1]" 1
471 1 16 GLU H 1 16 GLU HB3 4.000 . 4.000 3.181 2.948 3.609 . 0 0 "[ . 1]" 1
472 1 70 VAL H 1 70 VAL MG2 2.800 . 2.800 2.135 2.019 2.597 . 0 0 "[ . 1]" 1
473 1 42 GLU H 1 43 GLU H 3.500 . 3.500 3.003 2.744 3.496 . 0 0 "[ . 1]" 1
474 1 74 LEU H 1 75 ARG H 3.500 . 3.500 2.758 2.616 2.803 . 0 0 "[ . 1]" 1
475 1 99 ALA H 1 99 ALA MB 2.800 . 2.800 2.513 2.263 2.885 0.085 8 0 "[ . 1]" 1
476 1 24 PHE HZ 1 34 ALA MB 5.000 . 5.000 2.084 2.051 2.168 . 0 0 "[ . 1]" 1
477 1 22 TYR QD 1 82 LEU MD2 5.000 . 5.000 1.956 1.788 2.069 0.012 4 0 "[ . 1]" 1
478 1 38 GLU H 1 38 GLU HG2 3.500 . 3.500 3.513 3.501 3.523 0.023 10 0 "[ . 1]" 1
479 1 62 LYS H 1 62 LYS HA 2.800 . 2.800 2.821 2.805 2.842 0.042 4 0 "[ . 1]" 1
480 1 58 LYS QB 1 59 LYS H 2.800 . 2.800 2.654 2.592 2.681 . 0 0 "[ . 1]" 1
481 1 55 GLN HA 1 55 GLN QG 3.500 . 3.500 2.746 2.502 3.188 . 0 0 "[ . 1]" 1
482 1 26 ASP H 1 26 ASP HB2 2.800 . 2.800 2.360 2.271 2.479 . 0 0 "[ . 1]" 1
483 1 51 TYR QE 1 91 VAL QG 5.000 . 5.000 4.068 3.315 5.012 0.012 8 0 "[ . 1]" 1
484 1 17 ILE H 1 17 ILE MD 5.000 . 5.000 4.336 3.802 4.402 . 0 0 "[ . 1]" 1
485 1 27 LYS HA 1 28 GLU H 3.500 . 3.500 3.370 2.980 3.418 . 0 0 "[ . 1]" 1
486 1 57 VAL HA 1 60 LEU H 3.500 . 3.500 3.584 3.552 3.638 0.138 10 0 "[ . 1]" 1
487 1 22 TYR QE 1 23 GLU HA 5.000 . 5.000 5.044 5.007 5.094 0.094 7 0 "[ . 1]" 1
488 1 15 SER H 1 15 SER HB2 3.500 . 3.500 3.153 2.443 3.628 0.128 1 0 "[ . 1]" 1
489 1 35 VAL MG2 1 36 LYS H 5.000 . 5.000 2.621 2.572 2.658 . 0 0 "[ . 1]" 1
490 1 12 THR HB 1 13 ASP H 5.000 . 5.000 3.451 3.288 3.792 . 0 0 "[ . 1]" 1
491 1 24 PHE QE 1 34 ALA HA 5.000 . 5.000 3.541 3.423 3.591 . 0 0 "[ . 1]" 1
492 1 89 GLN HG2 1 90 SER H 5.000 . 5.000 4.566 3.704 5.017 0.017 1 0 "[ . 1]" 1
493 1 17 ILE MD 1 20 HIS HB2 5.000 . 5.000 4.379 3.520 4.550 . 0 0 "[ . 1]" 1
494 1 24 PHE QD 1 25 LEU MD2 5.000 . 5.000 4.772 4.650 4.943 . 0 0 "[ . 1]" 1
495 1 18 LEU MD2 1 51 TYR QD 5.000 . 5.000 3.094 2.040 5.016 0.016 8 0 "[ . 1]" 1
496 1 21 LEU HA 1 37 PHE QE 5.000 . 5.000 3.072 2.823 3.258 . 0 0 "[ . 1]" 1
497 1 57 VAL H 1 57 VAL HB 3.500 . 3.500 3.561 2.888 3.659 0.159 5 0 "[ . 1]" 1
498 1 18 LEU MD1 1 85 ILE MD 5.000 . 5.000 4.887 3.926 5.060 0.060 3 0 "[ . 1]" 1
499 1 22 TYR HB2 1 23 GLU H 3.500 . 3.500 3.617 3.595 3.641 0.141 9 0 "[ . 1]" 1
500 1 87 SER HA 1 88 GLY H 3.500 . 3.500 3.519 3.507 3.525 0.025 9 0 "[ . 1]" 1
501 1 74 LEU HB2 1 74 LEU MD1 4.000 2.300 4.000 3.160 3.151 3.176 . 0 0 "[ . 1]" 1
502 1 21 LEU HB3 1 57 VAL MG2 5.000 . 5.000 4.949 4.316 5.071 0.071 5 0 "[ . 1]" 1
503 1 26 ASP HB2 1 79 MET ME 5.000 . 5.000 3.705 3.237 4.093 . 0 0 "[ . 1]" 1
504 1 44 SER HA 1 45 SER H 3.500 . 3.500 3.529 3.424 3.569 0.069 2 0 "[ . 1]" 1
505 1 58 LYS HA 1 61 VAL H 5.000 . 5.000 3.750 3.565 3.893 . 0 0 "[ . 1]" 1
506 1 73 ASP HB2 1 74 LEU H 5.000 . 5.000 3.334 2.670 4.342 . 0 0 "[ . 1]" 1
507 1 47 CYS H 1 47 CYS HA 2.800 . 2.800 2.868 2.749 2.915 0.115 8 0 "[ . 1]" 1
508 1 80 GLY HA3 1 83 ASP HB2 3.500 . 3.500 3.623 3.575 3.690 0.190 10 0 "[ . 1]" 1
509 1 71 PRO HA 1 72 GLY H 3.500 . 3.500 2.540 2.160 3.556 0.056 6 0 "[ . 1]" 1
510 1 61 VAL MG2 1 62 LYS H 3.500 . 3.500 3.467 3.341 3.508 0.008 4 0 "[ . 1]" 1
511 1 44 SER HA 1 44 SER QB 2.500 . 2.500 2.307 2.185 2.462 . 0 0 "[ . 1]" 1
512 1 35 VAL H 1 35 VAL MG1 4.000 . 4.000 3.530 3.503 3.540 . 0 0 "[ . 1]" 1
513 1 5 SER HA 1 6 ALA H 5.000 . 5.000 2.344 2.175 3.572 . 0 0 "[ . 1]" 1
514 1 70 VAL MG1 1 71 PRO HD3 3.500 . 3.500 3.325 3.091 3.481 . 0 0 "[ . 1]" 1
515 1 104 ALA HA 1 105 PRO HD3 3.500 . 3.500 2.348 2.007 2.873 . 0 0 "[ . 1]" 1
516 1 74 LEU HB3 1 74 LEU MD2 3.500 . 3.500 3.172 3.145 3.190 . 0 0 "[ . 1]" 1
517 1 51 TYR HB3 1 51 TYR QD 3.500 . 3.500 2.320 2.296 2.371 . 0 0 "[ . 1]" 1
518 1 21 LEU HA 1 24 PHE QD 5.000 . 5.000 4.396 4.261 4.477 . 0 0 "[ . 1]" 1
519 1 81 ARG HD3 1 84 LEU QD 5.000 . 5.000 3.114 2.317 4.824 . 0 0 "[ . 1]" 1
520 1 22 TYR HB2 1 82 LEU MD2 5.000 . 5.000 2.934 2.260 3.429 . 0 0 "[ . 1]" 1
521 1 104 ALA HA 1 105 PRO HD2 3.500 . 3.500 2.517 2.185 2.950 . 0 0 "[ . 1]" 1
522 1 21 LEU HA 1 24 PHE QE 6.000 . 6.000 6.122 6.076 6.168 0.168 8 0 "[ . 1]" 1
523 1 19 ASP HA 1 22 TYR HB2 3.500 . 3.500 3.557 3.521 3.595 0.095 8 0 "[ . 1]" 1
524 1 74 LEU H 1 74 LEU HG 5.000 . 5.000 4.510 4.489 4.550 . 0 0 "[ . 1]" 1
525 1 24 PHE QE 1 37 PHE QE 5.000 . 5.000 3.623 3.528 3.810 . 0 0 "[ . 1]" 1
526 1 37 PHE H 1 37 PHE HB2 3.500 . 3.500 2.440 2.419 2.463 . 0 0 "[ . 1]" 1
527 1 53 LEU QD 1 57 VAL MG2 5.000 . 5.000 2.611 1.940 3.966 . 0 0 "[ . 1]" 1
528 1 57 VAL HA 1 58 LYS H 3.500 . 3.500 3.533 3.526 3.546 0.046 4 0 "[ . 1]" 1
529 1 34 ALA HA 1 37 PHE QE 5.000 . 5.000 2.934 2.711 3.273 . 0 0 "[ . 1]" 1
530 1 13 ASP H 1 13 ASP HB3 3.500 . 3.500 3.670 3.187 3.749 0.249 4 0 "[ . 1]" 1
531 1 24 PHE QD 1 33 ASP HB3 5.000 . 5.000 3.608 3.214 4.133 . 0 0 "[ . 1]" 1
532 1 45 SER QB 1 46 PRO HA 3.500 . 3.500 2.935 2.584 3.479 . 0 0 "[ . 1]" 1
533 1 15 SER HA 1 15 SER HB2 2.500 . 2.500 2.561 2.497 3.029 0.529 5 1 "[ + 1]" 1
534 1 18 LEU HA 1 21 LEU H 5.000 . 5.000 3.302 3.252 3.369 . 0 0 "[ . 1]" 1
535 1 24 PHE HB2 1 37 PHE QE 5.000 . 5.000 2.981 2.651 3.141 . 0 0 "[ . 1]" 1
536 1 21 LEU H 1 21 LEU HG 5.000 . 5.000 4.264 4.197 4.321 . 0 0 "[ . 1]" 1
537 1 18 LEU MD2 1 21 LEU H 6.000 . 6.000 5.998 4.879 6.135 0.135 6 0 "[ . 1]" 1
538 1 55 GLN QG 1 56 ALA H . . 3.500 3.232 2.665 3.564 0.064 10 0 "[ . 1]" 1
539 1 26 ASP HB3 1 79 MET ME 5.000 . 5.000 4.599 4.265 5.003 0.003 9 0 "[ . 1]" 1
540 1 35 VAL HA 1 35 VAL MG2 3.500 . 3.500 3.180 3.171 3.183 . 0 0 "[ . 1]" 1
541 1 22 TYR QE 1 79 MET ME 5.000 . 5.000 3.775 3.279 4.037 . 0 0 "[ . 1]" 1
542 1 18 LEU HB2 1 19 ASP H 5.000 . 5.000 3.736 2.079 3.963 . 0 0 "[ . 1]" 1
543 1 37 PHE HB3 1 37 PHE QE 5.000 . 5.000 4.493 4.478 4.502 . 0 0 "[ . 1]" 1
544 1 83 ASP H 1 84 LEU H 2.800 . 2.800 2.687 2.526 2.771 . 0 0 "[ . 1]" 1
545 1 20 HIS HB3 1 37 PHE QE 5.000 . 5.000 2.664 2.523 2.777 . 0 0 "[ . 1]" 1
546 1 81 ARG HA 1 84 LEU H 3.500 . 3.500 3.620 3.524 3.663 0.163 2 0 "[ . 1]" 1
547 1 23 GLU HA 1 26 ASP HB3 3.500 . 3.500 3.156 2.829 3.520 0.020 5 0 "[ . 1]" 1
548 1 60 LEU H 1 60 LEU HG 2.800 . 2.800 2.854 2.830 2.870 0.070 4 0 "[ . 1]" 1
549 1 107 GLU HA 1 108 SER H 3.500 . 3.500 2.234 2.156 2.356 . 0 0 "[ . 1]" 1
550 1 18 LEU HA 1 21 LEU MD2 5.000 . 5.000 5.073 5.042 5.115 0.115 8 0 "[ . 1]" 1
551 1 51 TYR QD 1 53 LEU QD 5.000 . 5.000 3.037 2.066 3.848 . 0 0 "[ . 1]" 1
552 1 19 ASP QB 1 21 LEU H 5.000 . 5.000 4.703 4.638 4.832 . 0 0 "[ . 1]" 1
553 1 22 TYR HA 1 25 LEU MD1 5.000 3.300 5.000 4.898 4.754 5.018 0.018 8 0 "[ . 1]" 1
554 1 27 LYS H 1 27 LYS HG3 5.000 . 5.000 3.836 3.821 3.848 . 0 0 "[ . 1]" 1
555 1 14 CYS QB 1 47 CYS H 5.000 . 5.000 4.627 4.081 4.939 . 0 0 "[ . 1]" 1
556 1 37 PHE HB2 1 38 GLU H 5.000 . 5.000 2.932 2.867 2.981 . 0 0 "[ . 1]" 1
557 1 65 ALA H 1 65 ALA MB 3.500 . 3.500 2.740 2.308 2.923 . 0 0 "[ . 1]" 1
558 1 18 LEU MD1 1 19 ASP H 6.000 . 6.000 4.144 4.077 4.188 . 0 0 "[ . 1]" 1
559 1 24 PHE QE 1 34 ALA MB 5.000 . 5.000 2.305 2.192 2.411 . 0 0 "[ . 1]" 1
560 1 24 PHE QD 1 25 LEU MD1 5.000 . 5.000 4.110 3.906 4.200 . 0 0 "[ . 1]" 1
561 1 22 TYR QD 1 79 MET QB 5.000 . 5.000 4.351 3.684 4.784 . 0 0 "[ . 1]" 1
562 1 74 LEU HB2 1 74 LEU MD2 2.800 . 2.800 2.509 2.451 2.534 . 0 0 "[ . 1]" 1
563 1 84 LEU HA 1 84 LEU QD . 3.300 3.500 2.857 2.133 3.365 1.167 9 4 "[ * . -*+1]" 1
564 1 17 ILE H 1 18 LEU H 2.800 . 2.800 2.461 2.429 2.533 . 0 0 "[ . 1]" 1
565 1 51 TYR QE 1 85 ILE MD 5.000 . 5.000 3.389 2.302 4.596 . 0 0 "[ . 1]" 1
566 1 17 ILE MD 1 37 PHE QD 5.000 . 5.000 3.046 2.696 3.429 . 0 0 "[ . 1]" 1
567 1 73 ASP HB3 1 74 LEU H 5.000 . 5.000 3.407 2.440 4.177 . 0 0 "[ . 1]" 1
568 1 81 ARG HA 1 84 LEU QB 3.500 . 3.500 3.469 3.399 3.530 0.030 5 0 "[ . 1]" 1
569 1 17 ILE HA 1 20 HIS HD1 3.500 . 3.500 3.598 3.577 3.642 0.142 7 0 "[ . 1]" 1
570 1 65 ALA HA 1 68 ASP H 3.500 . 3.500 3.560 3.532 3.633 0.133 3 0 "[ . 1]" 1
571 1 80 GLY H 1 80 GLY HA3 2.800 . 2.800 2.303 2.294 2.312 . 0 0 "[ . 1]" 1
572 1 83 ASP H 1 83 ASP HB3 2.800 . 2.800 2.825 2.774 2.867 0.067 3 0 "[ . 1]" 1
573 1 21 LEU H 1 21 LEU MD2 5.000 . 5.000 4.056 4.015 4.083 . 0 0 "[ . 1]" 1
574 1 22 TYR H 1 22 TYR HA 2.800 . 2.800 2.863 2.846 2.870 0.070 3 0 "[ . 1]" 1
575 1 35 VAL MG1 1 36 LYS H 5.000 . 5.000 4.285 4.258 4.299 . 0 0 "[ . 1]" 1
576 1 21 LEU MD2 1 25 LEU H 5.000 . 5.000 4.692 4.414 5.007 0.007 9 0 "[ . 1]" 1
577 1 98 ALA HA 1 99 ALA H 3.500 . 3.500 2.857 2.312 3.563 0.063 6 0 "[ . 1]" 1
578 1 30 PRO HB2 1 31 ASP H 3.500 . 3.500 3.281 3.130 3.513 0.013 5 0 "[ . 1]" 1
579 1 62 LYS H 1 62 LYS HG3 3.500 . 3.500 3.076 2.840 3.515 0.015 3 0 "[ . 1]" 1
580 1 24 PHE QE 1 32 SER QB 5.000 . 5.000 4.890 4.856 4.931 . 0 0 "[ . 1]" 1
581 1 95 ASP HA 1 95 ASP HB3 2.800 . 2.800 2.793 2.417 3.015 0.215 3 0 "[ . 1]" 1
582 1 37 PHE H 1 38 GLU H 4.000 . 4.000 2.092 2.075 2.113 . 0 0 "[ . 1]" 1
583 1 61 VAL H 1 61 VAL MG1 3.500 . 3.500 2.171 2.118 2.228 . 0 0 "[ . 1]" 1
584 1 25 LEU MD1 1 79 MET H 5.000 . 5.000 5.111 5.056 5.150 0.150 5 0 "[ . 1]" 1
585 1 22 TYR QD 1 82 LEU MD1 5.000 . 5.000 3.654 1.852 4.382 . 0 0 "[ . 1]" 1
586 1 25 LEU H 1 25 LEU HG 3.500 . 3.500 2.954 2.644 3.199 . 0 0 "[ . 1]" 1
587 1 51 TYR HB2 1 51 TYR QE 5.000 . 5.000 4.461 4.430 4.520 . 0 0 "[ . 1]" 1
588 1 23 GLU HA 1 26 ASP HB2 2.800 . 2.800 2.785 2.688 2.877 0.077 7 0 "[ . 1]" 1
589 1 57 VAL MG1 1 58 LYS H 5.000 . 5.000 2.337 2.083 3.920 . 0 0 "[ . 1]" 1
590 1 22 TYR QD 1 82 LEU HG 3.500 . 3.500 3.626 3.474 3.831 0.331 9 0 "[ . 1]" 1
591 1 37 PHE H 1 37 PHE HB3 3.500 . 3.500 3.633 3.624 3.642 0.142 10 0 "[ . 1]" 1
592 1 35 VAL MG2 1 36 LYS HA 3.500 . 3.500 3.326 3.275 3.347 . 0 0 "[ . 1]" 1
593 1 21 LEU MD1 1 22 TYR H 5.000 . 5.000 4.551 4.511 4.623 . 0 0 "[ . 1]" 1
594 1 40 HIS HB2 1 41 PHE H 5.000 . 5.000 4.336 4.247 4.425 . 0 0 "[ . 1]" 1
595 1 25 LEU MD2 1 79 MET QG 3.500 . 3.500 2.379 2.044 3.604 0.104 9 0 "[ . 1]" 1
596 1 24 PHE QD 1 34 ALA MB 6.000 . 6.000 3.742 3.634 3.924 . 0 0 "[ . 1]" 1
597 1 99 ALA HA 1 100 PRO HD2 2.800 . 2.800 2.428 2.098 2.812 0.012 1 0 "[ . 1]" 1
598 1 75 ARG H 1 75 ARG HA 2.800 . 2.800 2.712 2.688 2.770 . 0 0 "[ . 1]" 1
599 1 21 LEU HA 1 25 LEU MD2 5.000 . 5.000 4.774 4.470 5.017 0.017 9 0 "[ . 1]" 1
600 1 58 LYS HA 1 58 LYS QD 5.000 . 5.000 2.743 2.206 3.994 . 0 0 "[ . 1]" 1
601 1 41 PHE H 1 41 PHE HB3 3.500 . 3.500 3.251 3.034 3.374 . 0 0 "[ . 1]" 1
602 1 82 LEU HB3 1 82 LEU MD2 3.500 . 3.500 2.510 1.995 2.674 . 0 0 "[ . 1]" 1
603 1 70 VAL HA 1 70 VAL QG 2.800 . 2.800 2.175 2.114 2.254 . 0 0 "[ . 1]" 1
604 1 25 LEU MD2 1 79 MET HA 3.500 . 3.500 3.498 3.282 3.541 0.041 10 0 "[ . 1]" 1
605 1 57 VAL MG2 1 58 LYS H 5.000 . 5.000 4.013 3.441 4.314 . 0 0 "[ . 1]" 1
606 1 8 GLU HA 1 9 PRO HD3 2.800 . 2.800 2.307 2.023 2.773 . 0 0 "[ . 1]" 1
607 1 62 LYS HA 1 63 ARG H 3.500 . 3.500 3.514 3.504 3.529 0.029 6 0 "[ . 1]" 1
608 1 19 ASP HA 1 22 TYR HB3 3.500 . 3.500 3.240 3.162 3.359 . 0 0 "[ . 1]" 1
609 1 77 LYS HA 1 80 GLY H 3.500 . 3.500 3.574 3.529 3.642 0.142 9 0 "[ . 1]" 1
610 1 24 PHE HB3 1 37 PHE QE 5.000 . 5.000 2.794 2.384 3.007 . 0 0 "[ . 1]" 1
611 1 41 PHE QE 1 58 LYS HA 5.000 . 5.000 4.067 3.798 4.376 . 0 0 "[ . 1]" 1
612 1 85 ILE HA 1 88 GLY H 5.000 . 5.000 3.195 2.969 3.308 . 0 0 "[ . 1]" 1
613 1 24 PHE QE 1 25 LEU MD1 5.000 . 5.000 5.109 5.073 5.146 0.146 5 0 "[ . 1]" 1
614 1 36 LYS HA 1 39 HIS H 3.500 . 3.500 3.587 3.550 3.615 0.115 1 0 "[ . 1]" 1
615 1 13 ASP HB3 1 14 CYS H 3.500 . 3.500 3.710 3.676 3.735 0.235 10 0 "[ . 1]" 1
616 1 61 VAL MG1 1 62 LYS H 5.000 . 5.000 3.837 3.750 3.930 . 0 0 "[ . 1]" 1
617 1 85 ILE HA 1 86 ARG H 5.000 . 5.000 3.536 3.530 3.540 . 0 0 "[ . 1]" 1
618 1 60 LEU HA 1 60 LEU MD2 3.500 . 3.500 3.473 3.358 3.508 0.008 4 0 "[ . 1]" 1
619 1 18 LEU H 1 18 LEU HB2 2.500 . 2.500 2.573 2.489 2.588 0.088 6 0 "[ . 1]" 1
620 1 22 TYR QD 1 23 GLU HA 3.500 . 3.500 3.455 3.366 3.530 0.030 8 0 "[ . 1]" 1
621 1 17 ILE H 1 17 ILE HG13 5.000 . 5.000 4.430 4.418 4.466 . 0 0 "[ . 1]" 1
622 1 74 LEU HB3 1 74 LEU MD1 3.500 . 3.500 2.192 2.162 2.227 . 0 0 "[ . 1]" 1
623 1 37 PHE HA 1 37 PHE QD 3.500 . 3.500 1.977 1.941 2.003 . 0 0 "[ . 1]" 1
624 1 24 PHE HZ 1 34 ALA HA 3.500 . 3.500 3.602 3.570 3.631 0.131 3 0 "[ . 1]" 1
625 1 79 MET H 1 80 GLY H 3.500 . 3.500 2.734 2.665 2.772 . 0 0 "[ . 1]" 1
626 1 25 LEU H 1 25 LEU MD2 5.000 . 5.000 3.566 3.454 3.776 . 0 0 "[ . 1]" 1
627 1 24 PHE HB3 1 24 PHE QE 5.000 . 5.000 4.358 4.346 4.369 . 0 0 "[ . 1]" 1
628 1 19 ASP H 1 19 ASP QB 2.800 . 2.800 2.288 2.202 2.353 . 0 0 "[ . 1]" 1
629 1 22 TYR HB3 1 22 TYR QD 3.500 . 3.500 2.343 2.317 2.370 . 0 0 "[ . 1]" 1
630 1 20 HIS HA 1 20 HIS HB3 2.800 . 2.800 2.662 2.632 2.700 . 0 0 "[ . 1]" 1
631 1 20 HIS HB3 1 37 PHE HZ 5.000 . 5.000 3.078 2.824 3.350 . 0 0 "[ . 1]" 1
632 1 44 SER H 1 44 SER HB2 3.500 . 3.500 3.419 3.098 3.905 0.405 3 0 "[ . 1]" 1
633 1 19 ASP QB 1 20 HIS HD1 3.500 . 3.500 3.034 2.807 3.307 . 0 0 "[ . 1]" 1
634 1 20 HIS H 1 20 HIS HB3 3.500 . 3.500 3.507 3.488 3.521 0.021 7 0 "[ . 1]" 1
635 1 21 LEU H 1 37 PHE QE 5.000 . 5.000 4.642 4.544 4.753 . 0 0 "[ . 1]" 1
636 1 82 LEU HA 1 85 ILE MD 3.500 . 3.500 2.764 2.023 3.533 0.033 8 0 "[ . 1]" 1
637 1 45 SER HA 1 45 SER QB 2.500 . 2.500 2.356 2.186 2.533 0.033 3 0 "[ . 1]" 1
638 1 21 LEU MD2 1 22 TYR QD 6.000 . 6.000 5.980 5.700 6.082 0.082 10 0 "[ . 1]" 1
639 1 21 LEU MD2 1 24 PHE QD 5.000 . 5.000 3.833 3.670 3.977 . 0 0 "[ . 1]" 1
640 1 89 GLN HA 1 89 GLN HG2 3.500 . 3.500 2.332 2.049 2.477 . 0 0 "[ . 1]" 1
641 1 21 LEU MD2 1 37 PHE QE 5.000 . 5.000 2.646 2.556 2.787 . 0 0 "[ . 1]" 1
642 1 74 LEU H 1 74 LEU MD1 5.000 . 5.000 4.328 4.311 4.339 . 0 0 "[ . 1]" 1
643 1 14 CYS HA 1 17 ILE H 3.500 . 3.500 3.606 3.552 3.655 0.155 10 0 "[ . 1]" 1
644 1 21 LEU MD2 1 24 PHE HB2 5.000 . 5.000 4.298 4.133 4.467 . 0 0 "[ . 1]" 1
645 1 68 ASP HA 1 68 ASP HB2 2.800 . 2.800 2.592 2.500 2.647 . 0 0 "[ . 1]" 1
646 1 7 GLY QA 1 8 GLU H 3.500 . 3.500 2.277 2.130 2.416 . 0 0 "[ . 1]" 1
647 1 30 PRO HA 1 31 ASP H 2.500 . 2.500 2.372 2.144 2.447 . 0 0 "[ . 1]" 1
648 1 23 GLU H 1 23 GLU HA 2.800 . 2.800 2.766 2.750 2.780 . 0 0 "[ . 1]" 1
649 1 33 ASP HA 1 36 LYS HB2 5.000 . 5.000 4.169 3.949 4.313 . 0 0 "[ . 1]" 1
650 1 14 CYS HA 1 18 LEU MD2 5.000 . 5.000 5.123 5.025 5.185 0.185 6 0 "[ . 1]" 1
651 1 27 LYS H 1 27 LYS HD2 4.000 . 4.000 2.455 2.103 3.622 . 0 0 "[ . 1]" 1
652 1 21 LEU MD1 1 37 PHE QE 6.000 . 6.000 2.979 2.935 3.024 . 0 0 "[ . 1]" 1
653 1 61 VAL QG 1 63 ARG H 5.000 . 5.000 4.552 4.500 4.617 . 0 0 "[ . 1]" 1
654 1 81 ARG HG3 1 82 LEU MD2 4.000 2.300 4.000 4.136 4.056 4.256 0.256 4 0 "[ . 1]" 1
655 1 22 TYR H 1 82 LEU MD2 5.000 . 5.000 4.399 3.778 4.946 . 0 0 "[ . 1]" 1
656 1 47 CYS HA 1 47 CYS HB3 2.800 . 2.800 2.579 2.255 2.930 0.130 8 0 "[ . 1]" 1
657 1 60 LEU H 1 60 LEU MD2 4.000 . 4.000 4.098 4.088 4.114 0.114 4 0 "[ . 1]" 1
658 1 51 TYR QD 1 85 ILE MD 5.000 . 5.000 4.288 3.369 5.028 0.028 5 0 "[ . 1]" 1
659 1 35 VAL HA 1 36 LYS H 3.500 . 3.500 3.495 3.480 3.518 0.018 5 0 "[ . 1]" 1
660 1 21 LEU H 1 21 LEU MD1 5.000 . 5.000 2.818 2.699 2.951 . 0 0 "[ . 1]" 1
661 1 31 ASP HA 1 31 ASP HB2 2.800 . 2.800 2.825 2.630 3.019 0.219 4 0 "[ . 1]" 1
662 1 57 VAL HA 1 61 VAL H 5.000 . 5.000 4.532 4.021 4.770 . 0 0 "[ . 1]" 1
663 1 81 ARG HA 1 82 LEU H 5.000 . 5.000 3.398 3.382 3.423 . 0 0 "[ . 1]" 1
664 1 78 VAL HA 1 80 GLY H 5.000 . 5.000 3.851 3.734 3.946 . 0 0 "[ . 1]" 1
665 1 24 PHE HA 1 24 PHE QE 5.000 . 5.000 4.557 4.421 4.645 . 0 0 "[ . 1]" 1
666 1 20 HIS HB3 1 21 LEU H 3.500 . 3.500 3.406 3.200 3.495 . 0 0 "[ . 1]" 1
667 1 20 HIS HD2 1 37 PHE QE 3.500 . 3.500 3.550 3.522 3.572 0.072 6 0 "[ . 1]" 1
668 1 22 TYR HA 1 25 LEU MD2 3.500 . 3.500 2.581 2.451 2.808 . 0 0 "[ . 1]" 1
669 1 69 ASP HA 1 69 ASP QB 2.500 . 2.500 2.353 2.176 2.522 0.022 9 0 "[ . 1]" 1
670 1 22 TYR HB3 1 22 TYR QE 5.000 . 5.000 4.408 4.402 4.416 . 0 0 "[ . 1]" 1
671 1 81 ARG HG2 1 82 LEU MD1 3.500 . 3.500 3.635 3.305 4.474 0.974 9 2 "[ -. +1]" 1
672 1 12 THR HA 1 13 ASP H 3.500 . 3.500 3.399 2.175 3.547 0.047 4 0 "[ . 1]" 1
673 1 37 PHE HA 1 38 GLU H 5.000 . 5.000 3.496 3.484 3.513 . 0 0 "[ . 1]" 1
674 1 37 PHE HB2 1 37 PHE QE 5.000 . 5.000 4.427 4.414 4.450 . 0 0 "[ . 1]" 1
675 1 22 TYR HA 1 22 TYR QD 3.500 . 3.500 2.720 2.591 2.846 . 0 0 "[ . 1]" 1
676 1 76 ALA H 1 77 LYS H 2.500 . 2.500 2.729 2.687 2.766 0.266 2 0 "[ . 1]" 1
677 1 19 ASP HA 1 19 ASP QB 2.500 . 2.500 2.451 2.427 2.494 . 0 0 "[ . 1]" 1
678 1 41 PHE QE 1 57 VAL MG1 5.000 . 5.000 3.301 2.323 3.663 . 0 0 "[ . 1]" 1
679 1 26 ASP HA 1 79 MET ME 5.000 . 5.000 2.230 2.055 2.582 . 0 0 "[ . 1]" 1
680 1 51 TYR HB2 1 53 LEU QD 5.000 . 5.000 4.296 3.357 5.005 0.005 10 0 "[ . 1]" 1
681 1 80 GLY HA3 1 83 ASP HB3 3.500 . 3.500 3.552 3.526 3.601 0.101 3 0 "[ . 1]" 1
682 1 6 ALA MB 1 7 GLY HA2 5.000 . 5.000 4.277 3.880 4.926 . 0 0 "[ . 1]" 1
683 1 21 LEU H 1 21 LEU HB2 4.000 . 4.000 2.058 2.029 2.069 . 0 0 "[ . 1]" 1
684 1 22 TYR H 1 22 TYR HB2 2.500 . 2.500 2.480 2.425 2.517 0.017 9 0 "[ . 1]" 1
685 1 55 GLN HA 1 58 LYS HB2 3.500 . 3.500 3.807 3.441 4.266 0.766 8 4 "[ **.- + 1]" 1
686 1 21 LEU HB3 1 53 LEU QD 5.000 . 5.000 5.018 4.925 5.064 0.064 8 0 "[ . 1]" 1
687 1 20 HIS H 1 20 HIS HB2 3.500 . 3.500 2.212 2.182 2.235 . 0 0 "[ . 1]" 1
688 1 17 ILE MD 1 37 PHE QE 5.000 . 5.000 3.942 3.724 4.290 . 0 0 "[ . 1]" 1
689 1 24 PHE QD 1 33 ASP HB2 3.500 . 3.500 3.802 3.528 4.027 0.527 6 4 "[ *.+ * -]" 1
690 1 74 LEU MD1 1 78 VAL HA 3.500 . 3.500 3.446 3.258 3.538 0.038 2 0 "[ . 1]" 1
691 1 24 PHE QE 1 33 ASP HB3 5.000 . 5.000 2.647 2.206 3.296 . 0 0 "[ . 1]" 1
692 1 17 ILE MD 1 40 HIS HB2 5.000 . 5.000 2.898 2.223 3.557 . 0 0 "[ . 1]" 1
693 1 22 TYR QE 1 82 LEU MD2 5.000 . 5.000 3.331 2.982 3.827 . 0 0 "[ . 1]" 1
694 1 89 GLN H 1 89 GLN HA 2.800 . 2.800 2.889 2.845 2.918 0.118 8 0 "[ . 1]" 1
695 1 34 ALA H 1 34 ALA MB 3.500 . 3.500 2.109 2.082 2.198 . 0 0 "[ . 1]" 1
696 1 76 ALA H 1 76 ALA MB 2.800 2.100 2.800 2.222 2.217 2.231 . 0 0 "[ . 1]" 1
697 1 51 TYR QD 1 91 VAL QG 5.000 . 5.000 5.001 4.903 5.025 0.025 9 0 "[ . 1]" 1
698 1 18 LEU MD1 1 51 TYR QE 5.000 . 5.000 4.508 3.006 5.047 0.047 8 0 "[ . 1]" 1
699 1 68 ASP H 1 68 ASP HB3 3.500 . 3.500 3.055 2.708 3.627 0.127 4 0 "[ . 1]" 1
700 1 68 ASP HA 1 68 ASP HB3 2.800 . 2.800 2.975 2.965 2.982 0.182 3 0 "[ . 1]" 1
701 1 20 HIS HB2 1 37 PHE QE 5.000 . 5.000 3.680 3.552 3.784 . 0 0 "[ . 1]" 1
702 1 51 TYR HA 1 52 GLY H 3.500 . 3.500 3.038 2.354 3.541 0.041 1 0 "[ . 1]" 1
703 1 17 ILE HG13 1 37 PHE QE 5.000 . 5.000 3.445 3.212 3.729 . 0 0 "[ . 1]" 1
704 1 17 ILE HG13 1 37 PHE QD 5.000 . 5.000 3.606 3.390 3.980 . 0 0 "[ . 1]" 1
705 1 61 VAL HA 1 64 ALA MB 3.500 . 3.500 3.535 3.504 3.567 0.067 3 0 "[ . 1]" 1
706 1 51 TYR HB3 1 53 LEU QD 5.000 . 5.000 3.275 2.580 5.000 . 0 0 "[ . 1]" 1
707 1 17 ILE HA 1 37 PHE QE 5.000 . 5.000 4.718 4.551 4.841 . 0 0 "[ . 1]" 1
708 1 24 PHE HA 1 24 PHE QD 3.500 . 3.500 2.662 2.399 2.850 . 0 0 "[ . 1]" 1
709 1 20 HIS HA 1 20 HIS HD2 5.000 . 5.000 4.331 4.315 4.342 . 0 0 "[ . 1]" 1
710 1 22 TYR QD 1 79 MET ME 5.000 . 5.000 4.517 4.095 4.787 . 0 0 "[ . 1]" 1
711 1 69 ASP H 1 69 ASP HB3 3.500 . 3.500 3.169 2.359 3.751 0.251 5 0 "[ . 1]" 1
712 1 24 PHE QE 1 33 ASP HB2 5.000 . 5.000 1.978 1.794 2.131 0.006 3 0 "[ . 1]" 1
713 1 19 ASP HB2 1 20 HIS H 3.500 . 3.500 3.364 2.839 3.883 0.383 6 0 "[ . 1]" 1
714 1 62 LYS H 1 62 LYS HG2 3.500 . 3.500 3.181 2.708 3.432 . 0 0 "[ . 1]" 1
715 1 58 LYS HA 1 61 VAL MG1 5.000 . 5.000 3.417 3.137 3.707 . 0 0 "[ . 1]" 1
716 1 79 MET HA 1 82 LEU HB2 3.500 . 3.500 3.512 3.301 3.642 0.142 9 0 "[ . 1]" 1
717 1 24 PHE HZ 1 32 SER QB 5.000 . 5.000 4.952 4.910 4.981 . 0 0 "[ . 1]" 1
718 1 70 VAL MG1 1 71 PRO HD2 3.500 . 3.500 2.143 2.047 2.293 . 0 0 "[ . 1]" 1
719 1 60 LEU HA 1 60 LEU MD1 5.000 3.300 5.000 4.100 4.090 4.117 . 0 0 "[ . 1]" 1
720 1 33 ASP HA 1 36 LYS HB3 5.000 . 5.000 4.968 4.663 5.007 0.007 6 0 "[ . 1]" 1
721 1 59 LYS H 1 59 LYS QG 2.800 . 2.800 2.824 2.803 2.840 0.040 10 0 "[ . 1]" 1
722 1 83 ASP H 1 83 ASP HA 2.500 . 2.500 2.752 2.727 2.795 0.295 9 0 "[ . 1]" 1
723 1 45 SER HA 1 46 PRO HA 3.500 . 3.500 2.463 1.798 3.671 0.171 9 0 "[ . 1]" 1
724 1 34 ALA MB 1 37 PHE QD 5.000 . 5.000 3.112 2.956 3.276 . 0 0 "[ . 1]" 1
725 1 80 GLY HA2 1 83 ASP HB3 3.500 . 3.500 2.378 2.201 2.621 . 0 0 "[ . 1]" 1
726 1 83 ASP H 1 83 ASP HB2 2.800 . 2.800 2.196 2.108 2.253 . 0 0 "[ . 1]" 1
727 1 21 LEU HB2 1 21 LEU MD2 3.500 . 3.500 3.199 3.195 3.202 . 0 0 "[ . 1]" 1
728 1 38 GLU HA 1 41 PHE QE 5.000 . 5.000 4.605 3.881 5.018 0.018 7 0 "[ . 1]" 1
729 1 85 ILE MD 1 86 ARG H 5.000 . 5.000 4.189 3.477 4.824 . 0 0 "[ . 1]" 1
730 1 24 PHE QD 1 37 PHE QE 5.000 . 5.000 2.657 2.449 2.870 . 0 0 "[ . 1]" 1
731 1 26 ASP H 1 79 MET ME 5.000 . 5.000 3.511 3.203 4.212 . 0 0 "[ . 1]" 1
732 1 18 LEU MD1 1 51 TYR QD 6.000 . 6.000 4.342 2.245 5.992 . 0 0 "[ . 1]" 1
733 1 80 GLY HA2 1 83 ASP HB2 3.500 . 3.500 1.922 1.847 1.993 . 0 0 "[ . 1]" 1
734 1 78 VAL HA 1 78 VAL MG1 2.800 . 2.800 2.373 2.320 2.412 . 0 0 "[ . 1]" 1
735 1 20 HIS H 1 21 LEU H 4.000 . 4.000 2.532 2.500 2.567 . 0 0 "[ . 1]" 1
736 1 41 PHE QD 1 57 VAL MG1 5.000 . 5.000 4.601 3.162 5.009 0.009 7 0 "[ . 1]" 1
737 1 57 VAL HA 1 57 VAL MG1 3.500 . 3.500 3.111 2.267 3.216 . 0 0 "[ . 1]" 1
738 1 24 PHE QD 1 25 LEU H 5.000 . 5.000 3.620 3.467 3.958 . 0 0 "[ . 1]" 1
739 1 17 ILE MD 1 40 HIS H 5.000 . 5.000 4.429 3.992 5.013 0.013 7 0 "[ . 1]" 1
740 1 21 LEU MD2 1 24 PHE HB3 5.000 . 5.000 3.601 3.476 3.742 . 0 0 "[ . 1]" 1
741 1 38 GLU HA 1 41 PHE QD 3.500 . 3.500 2.916 2.542 3.322 . 0 0 "[ . 1]" 1
742 1 58 LYS HA 1 61 VAL MG2 5.000 . 5.000 4.536 4.284 4.878 . 0 0 "[ . 1]" 1
743 1 12 THR MG 1 13 ASP H 5.000 . 5.000 3.923 3.857 4.145 . 0 0 "[ . 1]" 1
744 1 20 HIS HB2 1 37 PHE HZ 5.000 . 5.000 4.575 4.376 4.791 . 0 0 "[ . 1]" 1
745 1 22 TYR QE 1 82 LEU HA 5.000 . 5.000 4.660 4.510 4.865 . 0 0 "[ . 1]" 1
746 1 24 PHE HB3 1 37 PHE HZ 3.500 . 3.500 3.523 3.508 3.544 0.044 6 0 "[ . 1]" 1
747 1 41 PHE HZ 1 57 VAL MG1 3.500 . 3.500 2.950 2.544 3.531 0.031 7 0 "[ . 1]" 1
748 1 22 TYR QE 1 55 GLN QG 5.000 . 5.000 4.808 4.647 4.913 . 0 0 "[ . 1]" 1
749 1 42 GLU HB2 1 43 GLU H 3.500 . 3.500 2.179 2.086 2.290 . 0 0 "[ . 1]" 1
750 1 21 LEU MD2 1 37 PHE HZ 5.000 . 5.000 3.889 3.770 4.129 . 0 0 "[ . 1]" 1
751 1 21 LEU HA 1 37 PHE HZ 3.500 . 3.500 3.288 3.105 3.447 . 0 0 "[ . 1]" 1
752 1 24 PHE HB2 1 37 PHE HZ 3.500 . 3.500 2.406 2.247 2.548 . 0 0 "[ . 1]" 1
753 1 22 TYR QE 1 83 ASP HB2 5.000 . 5.000 3.607 3.344 3.708 . 0 0 "[ . 1]" 1
754 1 22 TYR QD 1 55 GLN QG 5.000 . 5.000 4.642 4.300 4.844 . 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 28
_Distance_constraint_stats_list.Viol_count 36
_Distance_constraint_stats_list.Viol_total 46.232
_Distance_constraint_stats_list.Viol_max 0.279
_Distance_constraint_stats_list.Viol_rms 0.0542
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0165
_Distance_constraint_stats_list.Viol_average_violations_only 0.1284
_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 13 ASP 0.000 0.000 . 0 "[ . 1]"
1 14 CYS 0.000 0.000 . 0 "[ . 1]"
1 17 ILE 0.000 0.000 . 0 "[ . 1]"
1 18 LEU 0.000 0.000 . 0 "[ . 1]"
1 19 ASP 0.000 0.000 . 0 "[ . 1]"
1 21 LEU 0.001 0.001 6 0 "[ . 1]"
1 23 GLU 0.000 0.000 . 0 "[ . 1]"
1 24 PHE 0.000 0.000 . 0 "[ . 1]"
1 30 PRO 0.000 0.000 . 0 "[ . 1]"
1 31 ASP 0.000 0.000 . 0 "[ . 1]"
1 35 VAL 0.000 0.000 . 0 "[ . 1]"
1 37 PHE 0.570 0.072 10 0 "[ . 1]"
1 38 GLU 0.000 0.000 . 0 "[ . 1]"
1 41 PHE 0.570 0.072 10 0 "[ . 1]"
1 43 GLU 0.000 0.000 . 0 "[ . 1]"
1 44 SER 0.000 0.000 . 0 "[ . 1]"
1 57 VAL 0.000 0.000 . 0 "[ . 1]"
1 58 LYS 1.024 0.150 4 0 "[ . 1]"
1 59 LYS 0.000 0.000 . 0 "[ . 1]"
1 60 LEU 0.001 0.001 6 0 "[ . 1]"
1 61 VAL 0.014 0.010 8 0 "[ . 1]"
1 64 ALA 0.000 0.000 . 0 "[ . 1]"
1 65 ALA 0.000 0.000 . 0 "[ . 1]"
1 68 ASP 1.032 0.222 8 0 "[ . 1]"
1 69 ASP 1.032 0.222 8 0 "[ . 1]"
1 70 VAL 0.000 0.000 . 0 "[ . 1]"
1 74 LEU 0.000 0.000 . 0 "[ . 1]"
1 76 ALA 2.552 0.279 5 0 "[ . 1]"
1 77 LYS 2.552 0.279 5 0 "[ . 1]"
1 78 VAL 0.000 0.000 . 0 "[ . 1]"
1 93 GLU 0.000 0.000 . 0 "[ . 1]"
1 96 VAL 0.000 0.000 . 0 "[ . 1]"
1 106 GLN 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 21 LEU HA 1 21 LEU HB2 2.800 . 2.800 2.788 2.759 2.801 0.001 6 0 "[ . 1]" 2
2 1 74 LEU MD1 1 78 VAL H 3.500 . 3.500 2.458 1.958 3.084 . 0 0 "[ . 1]" 2
3 1 58 LYS QD 1 59 LYS H 5.000 . 5.000 3.928 3.838 4.044 . 0 0 "[ . 1]" 2
4 1 68 ASP HA 1 69 ASP H 2.500 . 2.500 2.553 2.245 2.722 0.222 8 0 "[ . 1]" 2
5 1 13 ASP HB3 1 14 CYS H 2.800 . 2.800 2.181 2.074 2.343 . 0 0 "[ . 1]" 2
6 1 17 ILE MD 1 18 LEU H 5.000 . 5.000 3.857 3.055 3.981 . 0 0 "[ . 1]" 2
7 1 37 PHE HZ 1 61 VAL MG1 3.500 . 3.500 3.004 2.606 3.510 0.010 8 0 "[ . 1]" 2
8 1 37 PHE HZ 1 58 LYS HA 3.500 . 3.500 3.556 3.532 3.572 0.072 10 0 "[ . 1]" 2
9 1 64 ALA HA 1 65 ALA H 2.800 . 2.800 2.404 2.046 2.748 . 0 0 "[ . 1]" 2
10 1 57 VAL MG1 1 59 LYS H 5.000 . 5.000 4.078 3.977 4.380 . 0 0 "[ . 1]" 2
11 1 17 ILE HA 1 18 LEU H 2.800 . 2.800 2.713 2.705 2.722 . 0 0 "[ . 1]" 2
12 1 17 ILE HA 1 19 ASP H 3.500 . 3.500 3.406 3.354 3.465 . 0 0 "[ . 1]" 2
13 1 60 LEU MD2 1 61 VAL H 3.500 . 3.500 2.745 2.631 2.812 . 0 0 "[ . 1]" 2
14 1 21 LEU MD2 1 24 PHE HB3 5.000 . 5.000 3.106 2.797 3.195 . 0 0 "[ . 1]" 2
15 1 21 LEU HA 1 24 PHE H 3.500 . 3.500 3.273 3.258 3.292 . 0 0 "[ . 1]" 2
16 1 58 LYS H 1 58 LYS QD 3.500 . 3.500 3.086 2.452 3.650 0.150 4 0 "[ . 1]" 2
17 1 43 GLU HA 1 44 SER H 2.800 . 2.800 2.176 2.113 2.256 . 0 0 "[ . 1]" 2
18 1 24 PHE QE 1 31 ASP HA 5.000 . 5.000 2.697 2.517 2.877 . 0 0 "[ . 1]" 2
19 1 17 ILE HA 1 21 LEU H 5.000 . 5.000 3.192 3.146 3.232 . 0 0 "[ . 1]" 2
20 1 70 VAL H 1 70 VAL QG 3.500 . 3.500 1.976 1.804 2.178 . 0 0 "[ . 1]" 2
21 1 93 GLU H 1 93 GLU QB 3.500 . 3.500 2.271 2.175 2.488 . 0 0 "[ . 1]" 2
22 1 30 PRO HA 1 31 ASP H 2.500 . 2.500 2.268 2.092 2.324 . 0 0 "[ . 1]" 2
23 1 76 ALA H 1 76 ALA HA 2.500 . 2.500 2.755 2.739 2.779 0.279 5 0 "[ . 1]" 2
24 1 21 LEU MD2 1 37 PHE HZ 5.000 . 5.000 3.876 3.759 4.108 . 0 0 "[ . 1]" 2
25 1 70 VAL H 1 70 VAL HB 2.800 . 2.800 2.410 2.323 2.488 . 0 0 "[ . 1]" 2
26 1 35 VAL HA 1 35 VAL HB 2.800 . 2.800 2.608 2.599 2.623 . 0 0 "[ . 1]" 2
27 1 76 ALA HA 1 78 VAL H 3.500 . 3.500 3.290 3.227 3.410 . 0 0 "[ . 1]" 2
28 1 70 VAL H 1 70 VAL MG2 3.500 . 3.500 2.064 1.972 2.234 . 0 0 "[ . 1]" 2
stop_
save_
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