Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
569113 | 2md8 RC | 19473 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2md8
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 468
_Distance_constraint_stats_list.Viol_count 300
_Distance_constraint_stats_list.Viol_total 1180.675
_Distance_constraint_stats_list.Viol_max 1.271
_Distance_constraint_stats_list.Viol_rms 0.0517
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0063
_Distance_constraint_stats_list.Viol_average_violations_only 0.1968
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ALA 0.075 0.075 17 0 "[ . 1 . 2]"
1 3 MET 1.997 0.130 18 0 "[ . 1 . 2]"
1 4 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 MET 1.222 0.651 12 2 "[ . 1-+ . 2]"
1 6 ARG 2.397 0.651 12 2 "[ . 1-+ . 2]"
1 7 ASN 3.235 0.490 18 0 "[ . 1 . 2]"
1 8 LEU 1.642 0.753 17 1 "[ . 1 . + 2]"
1 9 ASP 3.787 0.712 7 5 "[ . + *1 ** . -2]"
1 10 GLU 0.487 0.487 9 0 "[ . 1 . 2]"
1 11 CYS 0.595 0.289 15 0 "[ . 1 . 2]"
1 12 GLU 0.316 0.277 12 0 "[ . 1 . 2]"
1 13 VAL 3.379 0.277 12 0 "[ . 1 . 2]"
1 14 CYS 2.133 0.544 18 1 "[ . 1 . + 2]"
1 15 ARG 0.634 0.091 2 0 "[ . 1 . 2]"
1 16 ASP 0.059 0.043 6 0 "[ . 1 . 2]"
1 17 GLY 0.759 0.060 15 0 "[ . 1 . 2]"
1 18 GLY 1.762 0.252 8 0 "[ . 1 . 2]"
1 19 GLU 6.575 0.886 2 1 "[ + . 1 . 2]"
1 20 LEU 1.261 0.953 6 1 "[ .+ 1 . 2]"
1 21 PHE 3.537 0.895 8 2 "[ - . + 1 . 2]"
1 22 CYS 0.044 0.044 19 0 "[ . 1 . 2]"
1 23 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ASP 0.456 0.099 20 0 "[ . 1 . 2]"
1 25 THR 4.191 0.676 7 3 "[ . + *1 - . 2]"
1 26 CYS 0.128 0.089 18 0 "[ . 1 . 2]"
1 27 SER 0.567 0.567 16 1 "[ . 1 .+ 2]"
1 28 ARG 6.839 0.753 17 2 "[ . 1 - . + 2]"
1 29 VAL 0.669 0.151 13 0 "[ . 1 . 2]"
1 30 PHE 0.128 0.089 18 0 "[ . 1 . 2]"
1 31 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 GLU 2.041 0.619 14 3 "[ . 1 +- * 2]"
1 33 ASP 4.749 1.271 12 5 "[ . 1 + ** *-2]"
1 34 CYS 1.611 0.533 19 1 "[ . 1 . +2]"
1 35 HIS 3.603 0.953 6 2 "[ .+ 1 . - 2]"
1 36 ILE 3.059 1.271 12 1 "[ . 1 + . 2]"
1 37 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 PRO 4.483 0.944 12 5 "[ * .* 1-+ .* 2]"
1 39 VAL 8.157 0.944 12 6 "[ * .-* 1*+ .* 2]"
1 40 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ALA 0.086 0.086 6 0 "[ . 1 . 2]"
1 42 GLU 0.403 0.145 2 0 "[ . 1 . 2]"
1 43 ARG 3.104 0.677 8 3 "[ . + 1 .-* 2]"
1 44 THR 3.930 0.677 8 4 "[* . + 1 .-* 2]"
1 45 PRO 1.143 0.619 1 1 "[+ . 1 . 2]"
1 46 TRP 1.392 0.895 8 1 "[ . + 1 . 2]"
1 47 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 CYS 0.044 0.044 19 0 "[ . 1 . 2]"
1 49 ILE 1.225 0.407 6 0 "[ . 1 . 2]"
1 50 PHE 0.491 0.371 1 0 "[ . 1 . 2]"
1 51 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLU 2.399 0.294 15 0 "[ . 1 . 2]"
1 56 SER 1.963 0.294 15 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 30 PHE HB2 1 30 PHE QD 3.054 . 4.220 2.281 2.262 2.294 . 0 0 "[ . 1 . 2]" 1
2 1 29 VAL HB 1 30 PHE QE 3.676 . 5.365 3.618 3.378 3.813 . 0 0 "[ . 1 . 2]" 1
3 1 29 VAL QG 1 30 PHE QE 4.173 . 5.173 2.939 2.792 3.079 . 0 0 "[ . 1 . 2]" 1
4 1 35 HIS HB2 1 35 HIS HD2 2.748 . 3.692 2.780 2.735 2.868 . 0 0 "[ . 1 . 2]" 1
5 1 35 HIS HB3 1 35 HIS HD2 3.934 . 5.868 3.882 3.853 3.924 . 0 0 "[ . 1 . 2]" 1
6 1 20 LEU MD1 1 35 HIS HE1 3.138 . 4.369 2.852 2.384 3.917 . 0 0 "[ . 1 . 2]" 1
7 1 13 VAL QG 1 35 HIS HE1 3.278 . 4.621 3.370 3.070 3.710 . 0 0 "[ . 1 . 2]" 1
8 1 31 HIS HB3 1 31 HIS HD2 2.811 . 3.798 2.677 2.659 2.722 . 0 0 "[ . 1 . 2]" 1
9 1 31 HIS HD2 1 35 HIS HD2 2.890 . 6.000 4.076 3.660 4.344 . 0 0 "[ . 1 . 2]" 1
10 1 29 VAL HB 1 30 PHE QD 3.649 . 5.313 3.622 3.018 3.949 . 0 0 "[ . 1 . 2]" 1
11 1 29 VAL HA 1 30 PHE QD 3.939 . 5.879 4.941 4.694 5.140 . 0 0 "[ . 1 . 2]" 1
12 1 30 PHE HB3 1 30 PHE QD 2.995 . 4.116 2.629 2.546 2.708 . 0 0 "[ . 1 . 2]" 1
13 1 29 VAL QG 1 30 PHE HZ 3.609 . 5.237 3.606 3.113 4.401 . 0 0 "[ . 1 . 2]" 1
14 1 20 LEU MD1 1 31 HIS HE1 2.468 . 3.229 2.181 1.972 2.655 . 0 0 "[ . 1 . 2]" 1
15 1 46 TRP HH2 1 48 CYS HB2 3.810 . 5.624 3.545 2.664 5.068 . 0 0 "[ . 1 . 2]" 1
16 1 46 TRP HA 1 46 TRP HE3 4.720 . 7.504 4.607 4.319 5.050 . 0 0 "[ . 1 . 2]" 1
17 1 50 PHE HB3 1 50 PHE QD 3.085 . 4.274 2.455 2.356 2.590 . 0 0 "[ . 1 . 2]" 1
18 1 50 PHE HA 1 50 PHE QD 3.370 . 4.789 2.747 2.375 2.974 . 0 0 "[ . 1 . 2]" 1
19 1 30 PHE HB3 1 50 PHE QE 4.251 . 6.510 3.404 3.183 3.715 . 0 0 "[ . 1 . 2]" 1
20 1 49 ILE MD 1 50 PHE HZ 3.433 . 4.907 3.955 3.192 5.278 0.371 1 0 "[ . 1 . 2]" 1
21 1 49 ILE HB 1 50 PHE QD 4.241 . 6.490 4.841 4.537 5.216 . 0 0 "[ . 1 . 2]" 1
22 1 36 ILE HB 1 36 ILE MD 2.576 . 3.405 2.434 2.399 2.469 . 0 0 "[ . 1 . 2]" 1
23 1 36 ILE MD 1 36 ILE HG13 2.313 . 2.982 2.121 2.119 2.123 . 0 0 "[ . 1 . 2]" 1
24 1 36 ILE MD 1 36 ILE HG12 2.245 . 2.875 2.118 2.115 2.120 . 0 0 "[ . 1 . 2]" 1
25 1 50 PHE HA 1 50 PHE HB2 2.960 . 4.055 3.014 2.969 3.031 . 0 0 "[ . 1 . 2]" 1
26 1 37 PRO HB2 1 37 PRO HG3 2.821 . 3.816 2.811 2.662 2.993 . 0 0 "[ . 1 . 2]" 1
27 1 34 CYS HA 1 34 CYS QB 2.572 . 3.399 2.416 2.350 2.459 . 0 0 "[ . 1 . 2]" 1
28 1 20 LEU HA 1 20 LEU MD1 3.412 . 4.867 3.640 2.004 3.790 . 0 0 "[ . 1 . 2]" 1
29 1 14 CYS HA 1 35 HIS HE1 2.867 . 3.895 3.874 3.359 4.439 0.544 18 1 "[ . 1 . + 2]" 1
30 1 14 CYS HA 1 14 CYS HB2 2.611 . 3.463 2.969 2.936 3.006 . 0 0 "[ . 1 . 2]" 1
31 1 14 CYS HA 1 14 CYS HB3 2.400 . 3.120 2.667 2.560 2.735 . 0 0 "[ . 1 . 2]" 1
32 1 13 VAL QG 1 14 CYS HA 3.385 . 4.817 3.215 3.109 3.468 . 0 0 "[ . 1 . 2]" 1
33 1 30 PHE HA 1 30 PHE HB3 2.446 . 3.194 2.414 2.361 2.487 . 0 0 "[ . 1 . 2]" 1
34 1 29 VAL HA 1 29 VAL HB 2.504 . 3.288 2.638 2.477 3.017 . 0 0 "[ . 1 . 2]" 1
35 1 29 VAL HA 1 29 VAL QG 2.206 . 2.814 2.195 2.122 2.242 . 0 0 "[ . 1 . 2]" 1
36 1 29 VAL HB 1 29 VAL QG 2.149 . 2.726 1.897 1.896 1.899 . 0 0 "[ . 1 . 2]" 1
37 1 29 VAL MG1 1 29 VAL MG2 1.900 . 2.351 2.077 2.071 2.083 . 0 0 "[ . 1 . 2]" 1
38 1 13 VAL HA 1 16 ASP QB . . 3.374 2.566 2.320 2.859 . 0 0 "[ . 1 . 2]" 1
39 1 13 VAL HA 1 13 VAL QG 2.226 . 2.845 2.310 2.104 2.376 . 0 0 "[ . 1 . 2]" 1
40 1 13 VAL QG 1 18 GLY HA2 3.282 . 4.628 3.295 3.134 3.399 . 0 0 "[ . 1 . 2]" 1
41 1 13 VAL QG 1 18 GLY HA3 2.060 . 2.591 1.916 1.834 1.986 0.152 19 0 "[ . 1 . 2]" 1
42 1 13 VAL QG 1 16 ASP QB 3.599 . 5.218 3.323 3.018 3.570 . 0 0 "[ . 1 . 2]" 1
43 1 13 VAL HB 1 13 VAL QG 2.081 . 2.317 1.889 1.887 1.895 . 0 0 "[ . 1 . 2]" 1
44 1 13 VAL MG1 1 13 VAL MG2 1.735 . 2.111 2.073 2.066 2.083 . 0 0 "[ . 1 . 2]" 1
45 1 3 MET HA 1 3 MET HG2 2.794 . 3.770 3.196 2.466 3.791 0.021 14 0 "[ . 1 . 2]" 1
46 1 3 MET HA 1 3 MET HB3 2.260 . 2.899 2.894 2.467 3.029 0.130 18 0 "[ . 1 . 2]" 1
47 1 3 MET HB3 1 3 MET HG3 2.425 . 3.160 2.895 2.408 3.012 . 0 0 "[ . 1 . 2]" 1
48 1 3 MET HB2 1 3 MET HG2 2.425 . 3.160 2.895 2.414 3.013 . 0 0 "[ . 1 . 2]" 1
49 1 7 ASN HA 1 7 ASN HB2 2.583 . 3.417 2.670 2.427 3.031 . 0 0 "[ . 1 . 2]" 1
50 1 7 ASN HA 1 7 ASN HB3 2.674 . 3.568 2.727 2.364 3.032 . 0 0 "[ . 1 . 2]" 1
51 1 8 LEU HB3 1 8 LEU QD 2.376 . 3.082 2.199 2.110 2.423 . 0 0 "[ . 1 . 2]" 1
52 1 8 LEU HB2 1 8 LEU QD 2.557 . 3.374 2.260 2.119 2.321 . 0 0 "[ . 1 . 2]" 1
53 1 8 LEU HA 1 8 LEU HB2 2.680 . 3.578 3.012 2.984 3.022 . 0 0 "[ . 1 . 2]" 1
54 1 8 LEU HA 1 8 LEU QD 2.168 . 2.756 2.081 1.919 2.314 0.006 20 0 "[ . 1 . 2]" 1
55 1 8 LEU QD 1 8 LEU HG 1.914 . 2.288 1.891 1.887 1.893 . 0 0 "[ . 1 . 2]" 1
56 1 9 ASP HA 1 9 ASP HB3 2.511 . 3.299 2.718 2.450 3.025 . 0 0 "[ . 1 . 2]" 1
57 1 9 ASP HA 1 9 ASP HB2 2.792 . 3.766 2.655 2.350 3.021 . 0 0 "[ . 1 . 2]" 1
58 1 12 GLU HA 1 12 GLU HG2 2.880 . 3.916 3.074 2.507 3.763 . 0 0 "[ . 1 . 2]" 1
59 1 12 GLU HA 1 12 GLU QB 2.330 . 3.009 2.366 2.176 2.448 . 0 0 "[ . 1 . 2]" 1
60 1 12 GLU HA 1 15 ARG HG3 3.608 . 5.235 3.953 2.191 5.274 0.039 4 0 "[ . 1 . 2]" 1
61 1 15 ARG HA 1 15 ARG HG3 2.707 . 3.623 2.882 2.550 3.428 . 0 0 "[ . 1 . 2]" 1
62 1 15 ARG HA 1 16 ASP QB 4.587 . 7.217 5.223 5.152 5.455 . 0 0 "[ . 1 . 2]" 1
63 1 15 ARG HA 1 16 ASP HA 3.969 . 5.938 4.737 4.691 4.779 . 0 0 "[ . 1 . 2]" 1
64 1 15 ARG HA 1 15 ARG HG2 2.713 . 3.633 2.859 2.482 3.281 . 0 0 "[ . 1 . 2]" 1
65 1 16 ASP HA 1 16 ASP QB 2.556 . 3.372 2.377 2.323 2.481 . 0 0 "[ . 1 . 2]" 1
66 1 36 ILE HA 1 36 ILE HB 2.917 . 3.980 2.950 2.501 3.030 . 0 0 "[ . 1 . 2]" 1
67 1 36 ILE HB 1 36 ILE HG13 2.424 . 3.158 2.469 2.439 2.503 . 0 0 "[ . 1 . 2]" 1
68 1 36 ILE HB 1 36 ILE HG12 2.924 . 3.992 3.026 3.020 3.030 . 0 0 "[ . 1 . 2]" 1
69 1 36 ILE HB 1 36 ILE MG 2.129 . 2.696 2.127 2.122 2.130 . 0 0 "[ . 1 . 2]" 1
70 1 36 ILE HA 1 36 ILE HG12 2.669 . 3.560 2.721 2.490 3.686 0.126 17 0 "[ . 1 . 2]" 1
71 1 36 ILE HA 1 36 ILE HG13 3.110 . 4.319 3.163 3.023 3.736 . 0 0 "[ . 1 . 2]" 1
72 1 33 ASP HA 1 33 ASP HB3 2.923 . 3.991 2.597 2.445 3.016 . 0 0 "[ . 1 . 2]" 1
73 1 33 ASP HA 1 33 ASP HB2 2.982 . 4.094 2.946 2.477 3.025 . 0 0 "[ . 1 . 2]" 1
74 1 32 GLU HA 1 32 GLU HB2 2.963 . 4.060 2.939 2.470 3.026 . 0 0 "[ . 1 . 2]" 1
75 1 32 GLU HA 1 32 GLU HB3 2.552 . 3.366 2.555 2.404 3.022 . 0 0 "[ . 1 . 2]" 1
76 1 36 ILE HA 1 36 ILE MG 2.340 . 3.024 2.379 2.267 2.438 . 0 0 "[ . 1 . 2]" 1
77 1 36 ILE HG13 1 36 ILE MG 2.924 . 3.993 3.203 3.198 3.206 . 0 0 "[ . 1 . 2]" 1
78 1 25 THR HA 1 25 THR HB 2.622 . 3.481 2.974 2.559 3.026 . 0 0 "[ . 1 . 2]" 1
79 1 25 THR HA 1 28 ARG QB 2.762 . 3.715 2.875 2.580 3.357 . 0 0 "[ . 1 . 2]" 1
80 1 25 THR HB 1 25 THR MG 2.006 . 2.509 2.135 2.133 2.138 . 0 0 "[ . 1 . 2]" 1
81 1 25 THR HA 1 25 THR MG 2.249 . 2.881 2.328 2.247 2.404 . 0 0 "[ . 1 . 2]" 1
82 1 25 THR MG 1 28 ARG HD2 3.546 . 5.117 4.695 3.155 5.638 0.521 13 1 "[ . 1 + . 2]" 1
83 1 26 CYS HA 1 26 CYS HB3 2.534 . 3.337 2.447 2.401 2.472 . 0 0 "[ . 1 . 2]" 1
84 1 26 CYS HA 1 26 CYS HB2 2.936 . 4.014 3.026 3.021 3.031 . 0 0 "[ . 1 . 2]" 1
85 1 22 CYS QB 1 26 CYS HB3 2.732 . 3.665 2.960 2.722 3.279 . 0 0 "[ . 1 . 2]" 1
86 1 22 CYS QB 1 26 CYS HB2 2.445 . 3.192 2.168 2.034 2.284 . 0 0 "[ . 1 . 2]" 1
87 1 28 ARG QB 1 28 ARG HD2 2.361 . 3.058 2.950 2.277 3.302 0.244 7 0 "[ . 1 . 2]" 1
88 1 28 ARG HA 1 28 ARG QB 2.600 . 3.445 2.415 2.390 2.443 . 0 0 "[ . 1 . 2]" 1
89 1 39 VAL HA 1 39 VAL MG1 2.447 . 3.195 2.456 2.256 3.222 0.027 9 0 "[ . 1 . 2]" 1
90 1 39 VAL HB 1 39 VAL MG1 1.994 . 2.491 2.127 2.118 2.131 . 0 0 "[ . 1 . 2]" 1
91 1 41 ALA HA 1 41 ALA MB 2.122 . 2.685 2.128 2.122 2.135 . 0 0 "[ . 1 . 2]" 1
92 1 49 ILE HB 1 49 ILE MG 2.350 . 3.040 2.125 2.122 2.129 . 0 0 "[ . 1 . 2]" 1
93 1 49 ILE HB 1 49 ILE MD 2.377 . 3.083 2.446 2.409 2.482 . 0 0 "[ . 1 . 2]" 1
94 1 55 GLU HA 1 55 GLU HB2 2.528 . 3.327 2.773 2.436 3.026 . 0 0 "[ . 1 . 2]" 1
95 1 55 GLU HA 1 55 GLU HB3 2.708 . 3.625 2.716 2.376 3.030 . 0 0 "[ . 1 . 2]" 1
96 1 32 GLU HA 1 35 HIS HD2 2.674 . 3.568 2.860 2.346 3.332 . 0 0 "[ . 1 . 2]" 1
97 1 13 VAL QG 1 35 HIS HB2 3.221 . 4.518 2.689 2.451 3.259 . 0 0 "[ . 1 . 2]" 1
98 1 10 GLU HA 1 10 GLU HB2 2.413 . 3.141 2.829 2.428 3.024 . 0 0 "[ . 1 . 2]" 1
99 1 13 VAL QG 1 35 HIS HD2 3.917 . 4.754 3.791 3.461 4.383 . 0 0 "[ . 1 . 2]" 1
100 1 13 VAL QG 1 35 HIS HB3 2.764 . 3.719 2.113 1.941 2.359 . 0 0 "[ . 1 . 2]" 1
101 1 27 SER HA 1 34 CYS QB 3.009 . 4.137 3.265 2.974 3.681 . 0 0 "[ . 1 . 2]" 1
102 1 29 VAL QG 1 30 PHE QD 3.649 . 5.313 2.717 2.017 3.181 . 0 0 "[ . 1 . 2]" 1
103 1 28 ARG QB 1 29 VAL QG 2.705 . 3.620 2.816 2.681 2.960 . 0 0 "[ . 1 . 2]" 1
104 1 21 PHE HB3 1 49 ILE MG 3.317 . 4.693 2.741 2.077 3.701 . 0 0 "[ . 1 . 2]" 1
105 1 26 CYS HB2 1 50 PHE QD 4.284 . 6.578 4.523 3.299 5.386 . 0 0 "[ . 1 . 2]" 1
106 1 31 HIS HA 1 31 HIS HB2 2.366 . 3.066 2.497 2.451 2.531 . 0 0 "[ . 1 . 2]" 1
107 1 31 HIS HA 1 34 CYS QB 2.408 . 3.133 2.489 2.315 2.650 . 0 0 "[ . 1 . 2]" 1
108 1 31 HIS HA 1 31 HIS HB3 2.887 . 3.929 3.019 3.011 3.024 . 0 0 "[ . 1 . 2]" 1
109 1 14 CYS HA 1 18 GLY HA3 3.431 . 4.902 4.040 3.456 4.450 . 0 0 "[ . 1 . 2]" 1
110 1 8 LEU HA 1 8 LEU HB3 2.691 . 3.597 2.463 2.387 2.626 . 0 0 "[ . 1 . 2]" 1
111 1 31 HIS HD2 1 32 GLU HA 3.169 . 4.424 3.821 3.369 4.400 . 0 0 "[ . 1 . 2]" 1
112 1 33 ASP HB3 1 50 PHE HZ 2.694 . 3.601 2.402 2.173 2.745 . 0 0 "[ . 1 . 2]" 1
113 1 26 CYS HA 1 30 PHE QD 3.738 . 5.484 3.802 3.282 4.175 . 0 0 "[ . 1 . 2]" 1
114 1 33 ASP HB2 1 50 PHE HZ 2.710 . 3.628 2.725 2.362 3.748 0.120 19 0 "[ . 1 . 2]" 1
115 1 30 PHE QD 1 33 ASP HB2 5.133 . 8.426 4.204 3.374 4.702 . 0 0 "[ . 1 . 2]" 1
116 1 44 THR HB 1 45 PRO HA 2.978 . 4.086 3.206 1.754 4.705 0.619 1 1 "[+ . 1 . 2]" 1
117 1 44 THR HA 1 44 THR HB 2.969 . 4.071 2.542 2.418 3.027 . 0 0 "[ . 1 . 2]" 1
118 1 22 CYS HA 1 48 CYS HA 3.117 . 4.331 2.467 1.859 2.759 0.044 19 0 "[ . 1 . 2]" 1
119 1 21 PHE HB3 1 49 ILE MD 3.469 . 4.973 4.118 3.642 4.758 . 0 0 "[ . 1 . 2]" 1
120 1 38 PRO HA 1 38 PRO HD3 3.537 . 5.101 3.763 3.544 3.968 . 0 0 "[ . 1 . 2]" 1
121 1 38 PRO HA 1 38 PRO HD2 3.623 . 5.263 4.009 3.898 4.096 . 0 0 "[ . 1 . 2]" 1
122 1 39 VAL HB 1 39 VAL MG2 2.022 . 2.533 2.129 2.123 2.134 . 0 0 "[ . 1 . 2]" 1
123 1 39 VAL HA 1 39 VAL MG2 2.456 . 3.210 2.855 2.333 3.211 0.001 17 0 "[ . 1 . 2]" 1
124 1 21 PHE HB2 1 21 PHE QD 3.023 . 4.165 2.303 2.273 2.337 . 0 0 "[ . 1 . 2]" 1
125 1 21 PHE HB2 1 49 ILE MG 3.263 . 4.594 3.108 2.608 4.077 . 0 0 "[ . 1 . 2]" 1
126 1 22 CYS HA 1 23 CYS HB2 4.764 . 7.601 5.027 4.946 5.230 . 0 0 "[ . 1 . 2]" 1
127 1 22 CYS HA 1 22 CYS QB . . 3.399 2.424 2.183 2.498 . 0 0 "[ . 1 . 2]" 1
128 1 20 LEU MD1 1 20 LEU HG 2.762 . 3.716 2.130 2.127 2.132 . 0 0 "[ . 1 . 2]" 1
129 1 20 LEU HB3 1 20 LEU MD1 3.521 . 5.071 2.516 2.395 3.188 . 0 0 "[ . 1 . 2]" 1
130 1 20 LEU HB3 1 20 LEU MD2 3.004 . 4.132 2.311 2.259 2.382 . 0 0 "[ . 1 . 2]" 1
131 1 20 LEU HB2 1 20 LEU MD2 3.583 . 5.187 3.154 2.404 3.210 . 0 0 "[ . 1 . 2]" 1
132 1 20 LEU HB2 1 20 LEU MD1 2.400 . 3.120 2.238 2.184 2.313 . 0 0 "[ . 1 . 2]" 1
133 1 20 LEU MD2 1 34 CYS QB 3.131 . 4.357 2.815 1.969 4.483 0.126 6 0 "[ . 1 . 2]" 1
134 1 20 LEU HG 1 22 CYS QB 3.703 . 5.417 4.141 3.820 5.341 . 0 0 "[ . 1 . 2]" 1
135 1 23 CYS HA 1 23 CYS HB3 2.978 . 4.087 2.369 2.350 2.388 . 0 0 "[ . 1 . 2]" 1
136 1 24 ASP HA 1 24 ASP HB3 2.816 . 3.807 2.742 2.472 3.029 . 0 0 "[ . 1 . 2]" 1
137 1 24 ASP HA 1 24 ASP HB2 2.518 . 3.310 2.755 2.354 3.028 . 0 0 "[ . 1 . 2]" 1
138 1 45 PRO HA 1 45 PRO HB3 2.971 . 4.075 2.295 2.265 2.327 . 0 0 "[ . 1 . 2]" 1
139 1 45 PRO HB2 1 45 PRO HG3 2.893 . 3.939 2.829 2.660 2.997 . 0 0 "[ . 1 . 2]" 1
140 1 50 PHE HB2 1 50 PHE QD 3.209 . 4.496 2.349 2.268 2.429 . 0 0 "[ . 1 . 2]" 1
141 1 39 VAL HA 1 39 VAL HB 2.568 . 3.392 2.650 2.397 3.028 . 0 0 "[ . 1 . 2]" 1
142 1 20 LEU MD1 1 34 CYS QB 3.623 . 5.041 3.995 2.900 4.829 . 0 0 "[ . 1 . 2]" 1
143 1 30 PHE HB3 1 33 ASP HB3 3.856 . 5.714 3.527 2.338 3.930 . 0 0 "[ . 1 . 2]" 1
144 1 30 PHE HA 1 30 PHE QD 3.142 . 4.376 2.455 2.303 2.628 . 0 0 "[ . 1 . 2]" 1
145 1 4 GLY HA3 1 5 MET HA 2.942 . 6.000 4.514 4.267 4.674 . 0 0 "[ . 1 . 2]" 1
146 1 5 MET HB2 1 5 MET HG3 2.445 . 3.193 2.502 2.391 3.011 . 0 0 "[ . 1 . 2]" 1
147 1 5 MET HB2 1 5 MET HG2 2.913 . 3.974 2.922 2.404 3.011 . 0 0 "[ . 1 . 2]" 1
148 1 8 LEU HA 1 8 LEU HG 2.964 . 4.063 3.284 2.611 3.718 . 0 0 "[ . 1 . 2]" 1
149 1 44 THR HA 1 45 PRO HA 2.468 . 3.230 2.192 1.698 3.629 0.399 5 0 "[ . 1 . 2]" 1
150 1 34 CYS HA 1 49 ILE MD 2.480 . 3.249 2.308 2.083 2.830 . 0 0 "[ . 1 . 2]" 1
151 1 49 ILE HA 1 49 ILE MG 2.791 . 3.765 2.288 2.265 2.327 . 0 0 "[ . 1 . 2]" 1
152 1 19 GLU HA 1 19 GLU HG3 3.253 . 4.576 3.109 2.325 3.737 . 0 0 "[ . 1 . 2]" 1
153 1 10 GLU HA 1 10 GLU HB3 2.860 . 3.883 2.543 2.393 3.027 . 0 0 "[ . 1 . 2]" 1
154 1 44 THR MG 1 45 PRO HA 3.765 . 5.537 3.531 2.457 4.070 . 0 0 "[ . 1 . 2]" 1
155 1 33 ASP HA 1 36 ILE MD 2.870 . 3.900 2.741 2.277 5.171 1.271 12 1 "[ . 1 + . 2]" 1
156 1 36 ILE HA 1 36 ILE MD 3.610 . 5.239 3.894 3.807 4.187 . 0 0 "[ . 1 . 2]" 1
157 1 32 GLU HA 1 35 HIS HB2 3.380 . 4.808 3.880 3.324 4.340 . 0 0 "[ . 1 . 2]" 1
158 1 26 CYS HB3 1 30 PHE QE 3.567 . 6.000 5.294 4.379 6.089 0.089 18 0 "[ . 1 . 2]" 1
159 1 26 CYS HB3 1 30 PHE QD 3.624 . 5.266 3.830 3.210 4.289 . 0 0 "[ . 1 . 2]" 1
160 1 27 SER HA 1 31 HIS HA 2.808 . 3.794 2.823 2.516 3.100 . 0 0 "[ . 1 . 2]" 1
161 1 13 VAL HA 1 13 VAL HB 2.510 . 3.298 2.490 2.367 3.018 . 0 0 "[ . 1 . 2]" 1
162 1 11 CYS QB 1 31 HIS HD2 3.252 . 4.574 2.389 1.959 2.807 . 0 0 "[ . 1 . 2]" 1
163 1 6 ARG HA 1 8 LEU QD 3.266 . 4.600 3.499 2.434 4.854 0.254 3 0 "[ . 1 . 2]" 1
164 1 38 PRO HD2 1 38 PRO HG2 2.560 . 3.379 2.310 2.273 2.332 . 0 0 "[ . 1 . 2]" 1
165 1 19 GLU HB3 1 19 GLU HG3 2.389 . 3.102 2.803 2.362 3.010 . 0 0 "[ . 1 . 2]" 1
166 1 8 LEU HB3 1 11 CYS QB 3.363 . 4.776 3.062 2.041 4.844 0.068 20 0 "[ . 1 . 2]" 1
167 1 38 PRO HD3 1 38 PRO HG3 2.513 . 3.302 2.307 2.277 2.324 . 0 0 "[ . 1 . 2]" 1
168 1 38 PRO HA 1 38 PRO HG2 4.119 . 6.240 3.937 3.847 4.088 . 0 0 "[ . 1 . 2]" 1
169 1 21 PHE HB2 1 49 ILE MD 2.643 . 3.516 3.268 2.859 3.923 0.407 6 0 "[ . 1 . 2]" 1
170 1 49 ILE HA 1 49 ILE HB 2.746 . 3.688 2.514 2.456 2.545 . 0 0 "[ . 1 . 2]" 1
171 1 18 GLY HA3 1 35 HIS HE1 3.762 . 5.531 5.220 4.570 5.783 0.252 8 0 "[ . 1 . 2]" 1
172 1 20 LEU HG 1 35 HIS HE1 3.441 . 4.921 3.011 2.267 5.072 0.151 6 0 "[ . 1 . 2]" 1
173 1 20 LEU MD2 1 20 LEU HG 2.772 . 3.733 2.131 2.128 2.133 . 0 0 "[ . 1 . 2]" 1
174 1 49 ILE HA 1 50 PHE HA 3.807 . 5.619 4.688 4.662 4.720 . 0 0 "[ . 1 . 2]" 1
175 1 44 THR HA 1 44 THR MG 2.814 . 3.803 2.820 2.256 3.228 . 0 0 "[ . 1 . 2]" 1
176 1 43 ARG HA 1 44 THR HB 3.870 . 5.742 5.409 4.705 6.419 0.677 8 3 "[ . + 1 .-* 2]" 1
177 1 38 PRO HA 1 39 VAL MG1 3.526 . 5.081 4.713 3.898 6.025 0.944 12 5 "[ * .* 1-+ .* 2]" 1
178 1 35 HIS HA 1 35 HIS HB3 2.332 . 3.012 2.473 2.399 2.571 . 0 0 "[ . 1 . 2]" 1
179 1 35 HIS HA 1 35 HIS HB2 2.831 . 3.832 3.023 3.009 3.030 . 0 0 "[ . 1 . 2]" 1
180 1 8 LEU QD 1 28 ARG HA 1.950 . 6.000 4.590 2.637 6.753 0.753 17 1 "[ . 1 . + 2]" 1
181 1 19 GLU HA 1 19 GLU HG2 2.583 . 3.417 2.803 2.428 3.651 0.234 7 0 "[ . 1 . 2]" 1
182 1 19 GLU HA 1 19 GLU HB3 2.755 . 3.704 2.528 2.449 3.011 . 0 0 "[ . 1 . 2]" 1
183 1 20 LEU HA 1 20 LEU MD2 3.271 . 4.608 2.903 2.574 3.850 . 0 0 "[ . 1 . 2]" 1
184 1 20 LEU HA 1 35 HIS HE1 3.752 . 5.512 3.413 2.798 4.039 . 0 0 "[ . 1 . 2]" 1
185 1 20 LEU HA 1 20 LEU HB2 2.478 . 3.245 2.607 2.556 2.694 . 0 0 "[ . 1 . 2]" 1
186 1 31 HIS H 1 32 GLU H 2.884 . 3.924 2.853 2.675 2.967 . 0 0 "[ . 1 . 2]" 1
187 1 30 PHE H 1 31 HIS H 2.837 . 3.843 2.939 2.670 3.268 . 0 0 "[ . 1 . 2]" 1
188 1 29 VAL H 1 31 HIS H 3.381 . 4.810 4.326 3.804 4.695 . 0 0 "[ . 1 . 2]" 1
189 1 30 PHE HA 1 31 HIS H 2.689 . 3.593 2.669 2.495 2.863 . 0 0 "[ . 1 . 2]" 1
190 1 29 VAL HA 1 31 HIS H 3.638 . 5.293 4.470 4.155 4.734 . 0 0 "[ . 1 . 2]" 1
191 1 31 HIS H 1 31 HIS HA 2.629 . 3.493 2.773 2.734 2.832 . 0 0 "[ . 1 . 2]" 1
192 1 31 HIS H 1 31 HIS HB2 2.255 . 2.890 2.408 2.290 2.521 . 0 0 "[ . 1 . 2]" 1
193 1 31 HIS H 1 34 CYS QB 3.716 . 5.442 4.563 4.264 4.853 . 0 0 "[ . 1 . 2]" 1
194 1 31 HIS H 1 31 HIS HB3 2.389 . 3.102 2.646 2.537 2.749 . 0 0 "[ . 1 . 2]" 1
195 1 29 VAL H 1 29 VAL HA 2.489 . 3.264 2.906 2.881 2.929 . 0 0 "[ . 1 . 2]" 1
196 1 28 ARG H 1 28 ARG HD2 3.571 . 5.165 4.436 3.784 4.871 . 0 0 "[ . 1 . 2]" 1
197 1 29 VAL H 1 29 VAL HB 2.529 . 6.000 3.404 2.571 3.722 . 0 0 "[ . 1 . 2]" 1
198 1 28 ARG H 1 28 ARG HG3 2.634 . 3.501 2.493 2.273 2.781 . 0 0 "[ . 1 . 2]" 1
199 1 29 VAL H 1 29 VAL QG 2.367 . 3.067 1.954 1.822 2.222 0.014 10 0 "[ . 1 . 2]" 1
200 1 27 SER H 1 28 ARG H 2.605 . 3.453 2.568 2.515 2.642 . 0 0 "[ . 1 . 2]" 1
201 1 28 ARG H 1 28 ARG QB 1.995 . 2.493 2.313 2.224 2.399 . 0 0 "[ . 1 . 2]" 1
202 1 7 ASN HB3 1 7 ASN HD22 3.860 . 5.722 3.978 3.489 4.083 . 0 0 "[ . 1 . 2]" 1
203 1 7 ASN HB2 1 7 ASN HD22 2.685 . 3.586 3.648 3.471 4.076 0.490 18 0 "[ . 1 . 2]" 1
204 1 2 ALA H 1 2 ALA MB 4.106 . 6.213 2.622 2.238 2.949 . 0 0 "[ . 1 . 2]" 1
205 1 5 MET HG2 1 6 ARG H 4.015 . 6.030 4.470 3.229 5.357 . 0 0 "[ . 1 . 2]" 1
206 1 5 MET HB2 1 6 ARG H 3.814 . 5.633 4.044 2.594 4.630 . 0 0 "[ . 1 . 2]" 1
207 1 8 LEU H 1 8 LEU HA 2.626 . 3.488 2.914 2.875 2.942 . 0 0 "[ . 1 . 2]" 1
208 1 7 ASN HB3 1 8 LEU H 3.669 . 5.352 4.223 3.356 4.606 . 0 0 "[ . 1 . 2]" 1
209 1 7 ASN HB2 1 8 LEU H 3.844 . 5.691 4.351 3.227 4.602 . 0 0 "[ . 1 . 2]" 1
210 1 8 LEU HA 1 9 ASP H 2.334 . 3.015 2.439 2.072 3.044 0.029 9 0 "[ . 1 . 2]" 1
211 1 9 ASP H 1 10 GLU H 2.299 . 2.960 2.301 1.972 3.447 0.487 9 0 "[ . 1 . 2]" 1
212 1 9 ASP HA 1 10 GLU H 2.877 . 3.912 3.318 2.574 3.516 . 0 0 "[ . 1 . 2]" 1
213 1 10 GLU H 1 10 GLU HA 2.693 . 3.600 2.847 2.268 2.918 . 0 0 "[ . 1 . 2]" 1
214 1 11 CYS H 1 12 GLU H 3.892 . 5.785 4.142 3.935 4.298 . 0 0 "[ . 1 . 2]" 1
215 1 10 GLU HA 1 11 CYS H 2.506 . 6.000 3.269 2.197 3.537 . 0 0 "[ . 1 . 2]" 1
216 1 11 CYS H 1 11 CYS QB 2.429 . 2.908 2.283 2.168 2.434 . 0 0 "[ . 1 . 2]" 1
217 1 11 CYS HA 1 12 GLU H 2.151 . 2.730 2.182 2.148 2.245 . 0 0 "[ . 1 . 2]" 1
218 1 12 GLU H 1 12 GLU HA 2.854 . 3.872 2.807 2.764 2.830 . 0 0 "[ . 1 . 2]" 1
219 1 12 GLU H 1 13 VAL HA 4.728 . 7.522 5.206 5.126 5.331 . 0 0 "[ . 1 . 2]" 1
220 1 11 CYS QB 1 12 GLU H 4.081 . 6.163 3.966 3.932 4.005 . 0 0 "[ . 1 . 2]" 1
221 1 12 GLU H 1 12 GLU HG3 4.123 . 6.247 3.682 2.028 4.508 . 0 0 "[ . 1 . 2]" 1
222 1 12 GLU H 1 12 GLU QB 2.411 . 3.137 2.312 2.187 2.530 . 0 0 "[ . 1 . 2]" 1
223 1 12 GLU H 1 13 VAL HB 4.542 . 7.120 5.077 4.877 5.297 . 0 0 "[ . 1 . 2]" 1
224 1 12 GLU H 1 13 VAL QG 4.187 . 6.379 3.675 3.526 3.816 . 0 0 "[ . 1 . 2]" 1
225 1 12 GLU H 1 13 VAL H 2.420 . 3.152 2.628 2.544 2.756 . 0 0 "[ . 1 . 2]" 1
226 1 13 VAL H 1 14 CYS H 2.286 . 2.939 2.678 2.621 2.757 . 0 0 "[ . 1 . 2]" 1
227 1 11 CYS HA 1 13 VAL H 3.334 . 4.723 3.582 3.367 3.794 . 0 0 "[ . 1 . 2]" 1
228 1 12 GLU HA 1 13 VAL H 3.097 . 4.296 3.490 3.432 3.524 . 0 0 "[ . 1 . 2]" 1
229 1 13 VAL H 1 13 VAL HA 2.621 . 3.480 2.825 2.796 2.842 . 0 0 "[ . 1 . 2]" 1
230 1 11 CYS QB 1 13 VAL H 3.461 . 4.958 4.306 4.022 4.502 . 0 0 "[ . 1 . 2]" 1
231 1 12 GLU HG2 1 13 VAL H 3.891 . 5.783 4.452 2.845 5.120 . 0 0 "[ . 1 . 2]" 1
232 1 12 GLU QB 1 13 VAL H 2.506 . 3.291 2.765 2.478 3.568 0.277 12 0 "[ . 1 . 2]" 1
233 1 13 VAL H 1 13 VAL HB 2.153 . 2.732 2.656 2.484 2.761 0.029 10 0 "[ . 1 . 2]" 1
234 1 13 VAL H 1 13 VAL QG 2.121 . 2.684 1.904 1.799 2.095 0.135 4 0 "[ . 1 . 2]" 1
235 1 14 CYS H 1 16 ASP H 4.086 . 6.173 4.079 3.984 4.177 . 0 0 "[ . 1 . 2]" 1
236 1 16 ASP H 1 18 GLY H 3.124 . 4.344 3.668 3.532 3.772 . 0 0 "[ . 1 . 2]" 1
237 1 14 CYS H 1 15 ARG H 2.464 . 3.223 2.574 2.499 2.620 . 0 0 "[ . 1 . 2]" 1
238 1 14 CYS H 1 14 CYS HA 2.797 . 3.775 2.829 2.812 2.842 . 0 0 "[ . 1 . 2]" 1
239 1 14 CYS H 1 14 CYS HB2 2.122 . 2.685 2.229 2.160 2.358 . 0 0 "[ . 1 . 2]" 1
240 1 14 CYS H 1 14 CYS HB3 3.448 . 4.934 3.520 3.457 3.593 . 0 0 "[ . 1 . 2]" 1
241 1 13 VAL HB 1 14 CYS H 2.725 . 6.000 3.835 2.394 4.150 . 0 0 "[ . 1 . 2]" 1
242 1 13 VAL QG 1 14 CYS H 2.821 . 3.815 2.303 1.972 3.132 . 0 0 "[ . 1 . 2]" 1
243 1 15 ARG H 1 15 ARG HA 2.515 . 3.306 2.829 2.808 2.866 . 0 0 "[ . 1 . 2]" 1
244 1 14 CYS HA 1 15 ARG H 3.001 . 4.127 3.481 3.454 3.503 . 0 0 "[ . 1 . 2]" 1
245 1 13 VAL HA 1 15 ARG H 3.540 . 5.107 4.148 3.964 4.307 . 0 0 "[ . 1 . 2]" 1
246 1 14 CYS HB2 1 15 ARG H 2.472 . 3.236 2.961 2.821 3.175 . 0 0 "[ . 1 . 2]" 1
247 1 14 CYS HB3 1 15 ARG H 2.884 . 3.924 3.444 3.178 3.724 . 0 0 "[ . 1 . 2]" 1
248 1 15 ARG H 1 16 ASP QB 4.250 . 6.507 4.355 4.166 4.561 . 0 0 "[ . 1 . 2]" 1
249 1 13 VAL HB 1 15 ARG H 3.856 . 5.714 5.583 4.618 5.805 0.091 2 0 "[ . 1 . 2]" 1
250 1 13 VAL QG 1 15 ARG H 4.190 . 6.263 4.081 3.922 4.422 . 0 0 "[ . 1 . 2]" 1
251 1 15 ARG H 1 16 ASP H 2.436 . 3.178 2.572 2.428 2.666 . 0 0 "[ . 1 . 2]" 1
252 1 16 ASP H 1 17 GLY H 2.396 . 3.113 2.572 2.460 2.643 . 0 0 "[ . 1 . 2]" 1
253 1 16 ASP H 1 16 ASP HA 2.725 . 3.654 2.849 2.819 2.886 . 0 0 "[ . 1 . 2]" 1
254 1 15 ARG HA 1 16 ASP H 3.100 . 4.301 3.507 3.480 3.527 . 0 0 "[ . 1 . 2]" 1
255 1 14 CYS HA 1 16 ASP H 3.605 . 5.229 4.235 4.058 4.416 . 0 0 "[ . 1 . 2]" 1
256 1 13 VAL HA 1 16 ASP H 2.935 . 4.012 3.227 3.103 3.413 . 0 0 "[ . 1 . 2]" 1
257 1 16 ASP H 1 16 ASP QB . . 2.782 2.245 2.197 2.363 . 0 0 "[ . 1 . 2]" 1
258 1 15 ARG HG3 1 16 ASP H 3.374 . 4.797 4.485 3.910 4.840 0.043 6 0 "[ . 1 . 2]" 1
259 1 13 VAL QG 1 16 ASP H 3.997 . 5.994 4.165 4.057 4.290 . 0 0 "[ . 1 . 2]" 1
260 1 17 GLY H 1 18 GLY H 2.364 . 3.062 2.263 2.159 2.504 . 0 0 "[ . 1 . 2]" 1
261 1 34 CYS H 1 35 HIS H 2.499 . 3.280 2.627 2.560 2.730 . 0 0 "[ . 1 . 2]" 1
262 1 32 GLU H 1 34 CYS H 2.815 . 3.806 3.786 3.701 3.862 0.056 1 0 "[ . 1 . 2]" 1
263 1 16 ASP HA 1 17 GLY H 3.040 . 4.195 3.355 3.222 3.401 . 0 0 "[ . 1 . 2]" 1
264 1 17 GLY H 1 17 GLY HA2 2.834 . 3.838 2.352 2.303 2.388 . 0 0 "[ . 1 . 2]" 1
265 1 15 ARG HA 1 17 GLY H 3.138 . 4.369 3.712 3.563 3.940 . 0 0 "[ . 1 . 2]" 1
266 1 17 GLY H 1 17 GLY HA3 2.247 . 2.878 2.915 2.857 2.938 0.060 15 0 "[ . 1 . 2]" 1
267 1 17 GLY H 1 18 GLY HA3 4.410 . 6.842 4.529 4.408 4.784 . 0 0 "[ . 1 . 2]" 1
268 1 16 ASP QB 1 17 GLY H 4.007 . 5.010 3.210 3.120 3.421 . 0 0 "[ . 1 . 2]" 1
269 1 14 CYS HA 1 18 GLY H 2.829 . 3.830 3.038 2.746 3.373 . 0 0 "[ . 1 . 2]" 1
270 1 18 GLY H 1 18 GLY HA2 2.638 . 3.508 2.808 2.774 2.839 . 0 0 "[ . 1 . 2]" 1
271 1 17 GLY HA3 1 18 GLY H 3.244 . 4.559 3.411 3.366 3.470 . 0 0 "[ . 1 . 2]" 1
272 1 18 GLY H 1 18 GLY HA3 2.138 . 2.709 2.287 2.277 2.298 . 0 0 "[ . 1 . 2]" 1
273 1 16 ASP QB 1 18 GLY H 4.039 . 4.771 3.039 2.881 3.241 . 0 0 "[ . 1 . 2]" 1
274 1 13 VAL QG 1 18 GLY H 3.121 . 4.339 2.982 2.747 3.133 . 0 0 "[ . 1 . 2]" 1
275 1 49 ILE HA 1 51 CYS H 3.972 . 5.944 4.575 4.299 4.880 . 0 0 "[ . 1 . 2]" 1
276 1 18 GLY HA3 1 19 GLU H 2.545 . 3.354 2.761 2.533 3.032 . 0 0 "[ . 1 . 2]" 1
277 1 13 VAL QG 1 19 GLU H 3.719 . 5.448 3.642 3.136 4.261 . 0 0 "[ . 1 . 2]" 1
278 1 20 LEU H 1 20 LEU MD1 4.193 . 6.391 4.443 4.078 4.659 . 0 0 "[ . 1 . 2]" 1
279 1 20 LEU H 1 20 LEU HB2 2.349 . 3.039 2.733 2.301 3.045 0.006 4 0 "[ . 1 . 2]" 1
280 1 20 LEU H 1 20 LEU HA 2.944 . 4.028 2.942 2.917 2.952 . 0 0 "[ . 1 . 2]" 1
281 1 25 THR H 1 26 CYS H 2.462 . 3.220 2.725 2.654 2.777 . 0 0 "[ . 1 . 2]" 1
282 1 24 ASP H 1 25 THR H 2.701 . 3.613 2.875 2.819 2.974 . 0 0 "[ . 1 . 2]" 1
283 1 25 THR H 1 25 THR HB 2.243 . 2.872 2.726 2.521 3.548 0.676 7 2 "[ . + -1 . 2]" 1
284 1 25 THR H 1 25 THR HA 2.530 . 3.330 2.806 2.781 2.825 . 0 0 "[ . 1 . 2]" 1
285 1 24 ASP HB3 1 25 THR H 2.564 . 3.385 2.989 2.394 3.484 0.099 20 0 "[ . 1 . 2]" 1
286 1 25 THR H 1 25 THR MG 3.569 . 5.161 3.610 2.375 3.767 . 0 0 "[ . 1 . 2]" 1
287 1 25 THR HB 1 26 CYS H 2.500 . 3.281 2.536 2.305 3.266 . 0 0 "[ . 1 . 2]" 1
288 1 26 CYS H 1 26 CYS HA 2.857 . 3.877 2.805 2.793 2.827 . 0 0 "[ . 1 . 2]" 1
289 1 25 THR MG 1 26 CYS H 3.668 . 5.350 3.554 3.332 3.943 . 0 0 "[ . 1 . 2]" 1
290 1 26 CYS H 1 27 SER H 2.632 . 3.498 2.654 2.579 2.700 . 0 0 "[ . 1 . 2]" 1
291 1 27 SER H 1 27 SER HA 2.733 . 3.667 2.838 2.815 2.854 . 0 0 "[ . 1 . 2]" 1
292 1 27 SER H 1 27 SER HB2 2.335 . 3.016 2.583 2.417 3.583 0.567 16 1 "[ . 1 .+ 2]" 1
293 1 26 CYS HB2 1 27 SER H 2.645 . 3.520 2.730 2.649 2.831 . 0 0 "[ . 1 . 2]" 1
294 1 32 GLU H 1 32 GLU HA 2.730 . 3.662 2.829 2.805 2.853 . 0 0 "[ . 1 . 2]" 1
295 1 31 HIS HA 1 32 GLU H 3.428 . 4.897 3.554 3.539 3.567 . 0 0 "[ . 1 . 2]" 1
296 1 31 HIS HB2 1 32 GLU H 3.871 . 5.744 3.805 3.728 3.870 . 0 0 "[ . 1 . 2]" 1
297 1 31 HIS HB3 1 32 GLU H 2.360 . 3.056 2.526 2.444 2.660 . 0 0 "[ . 1 . 2]" 1
298 1 32 GLU H 1 34 CYS QB 3.885 . 5.772 4.597 4.387 4.769 . 0 0 "[ . 1 . 2]" 1
299 1 32 GLU H 1 33 ASP HB2 4.292 . 6.595 4.715 4.570 4.977 . 0 0 "[ . 1 . 2]" 1
300 1 32 GLU H 1 32 GLU HG2 3.441 . 4.921 3.486 2.154 4.495 . 0 0 "[ . 1 . 2]" 1
301 1 32 GLU H 1 32 GLU HB2 2.226 . 2.845 2.509 2.220 2.680 . 0 0 "[ . 1 . 2]" 1
302 1 32 GLU H 1 33 ASP H 2.471 . 3.234 2.613 2.507 2.680 . 0 0 "[ . 1 . 2]" 1
303 1 30 PHE HA 1 33 ASP H 3.860 . 5.723 3.863 3.660 3.995 . 0 0 "[ . 1 . 2]" 1
304 1 33 ASP H 1 33 ASP HA 2.703 . 3.616 2.837 2.792 2.873 . 0 0 "[ . 1 . 2]" 1
305 1 32 GLU HA 1 33 ASP H 3.332 . 4.720 3.513 3.474 3.532 . 0 0 "[ . 1 . 2]" 1
306 1 33 ASP H 1 34 CYS QB 4.434 . 6.891 4.358 4.223 4.497 . 0 0 "[ . 1 . 2]" 1
307 1 30 PHE HB3 1 33 ASP H 3.442 . 4.923 3.651 3.379 3.942 . 0 0 "[ . 1 . 2]" 1
308 1 33 ASP H 1 33 ASP HB2 2.244 . 2.873 2.401 2.318 2.505 . 0 0 "[ . 1 . 2]" 1
309 1 32 GLU HB2 1 33 ASP H 2.423 . 3.157 2.675 2.239 3.776 0.619 14 3 "[ . 1 +- * 2]" 1
310 1 34 CYS H 1 34 CYS HA 2.781 . 3.748 2.835 2.788 2.870 . 0 0 "[ . 1 . 2]" 1
311 1 33 ASP HA 1 34 CYS H 3.314 . 4.687 3.436 3.424 3.455 . 0 0 "[ . 1 . 2]" 1
312 1 31 HIS HA 1 34 CYS H 3.299 . 4.659 3.550 3.444 3.646 . 0 0 "[ . 1 . 2]" 1
313 1 34 CYS H 1 34 CYS QB 2.216 . 2.830 2.251 2.212 2.326 . 0 0 "[ . 1 . 2]" 1
314 1 33 ASP HB2 1 34 CYS H 2.650 . 3.528 3.176 2.946 4.061 0.533 19 1 "[ . 1 . +2]" 1
315 1 32 GLU HB2 1 34 CYS H 4.076 . 6.153 4.804 4.589 5.495 . 0 0 "[ . 1 . 2]" 1
316 1 33 ASP HA 1 36 ILE H 4.029 . 6.058 3.715 3.188 4.771 . 0 0 "[ . 1 . 2]" 1
317 1 36 ILE H 1 36 ILE HA 2.961 . 4.057 2.937 2.906 2.946 . 0 0 "[ . 1 . 2]" 1
318 1 36 ILE H 1 36 ILE HB 2.627 . 3.490 2.899 2.655 3.892 0.402 17 0 "[ . 1 . 2]" 1
319 1 36 ILE H 1 36 ILE HG13 2.849 . 3.863 2.915 2.782 3.049 . 0 0 "[ . 1 . 2]" 1
320 1 36 ILE H 1 36 ILE HG12 3.480 . 4.994 3.771 2.315 4.126 . 0 0 "[ . 1 . 2]" 1
321 1 36 ILE H 1 36 ILE MG 3.804 . 5.612 3.795 3.132 3.927 . 0 0 "[ . 1 . 2]" 1
322 1 53 MET H 1 53 MET HA 2.784 . 3.753 2.783 2.261 2.950 . 0 0 "[ . 1 . 2]" 1
323 1 52 ARG HA 1 53 MET H 2.867 . 3.894 3.428 3.262 3.520 . 0 0 "[ . 1 . 2]" 1
324 1 55 GLU HA 1 56 SER H 2.304 . 2.968 2.296 2.125 2.915 . 0 0 "[ . 1 . 2]" 1
325 1 55 GLU HB2 1 56 SER H 3.119 . 4.335 4.368 3.774 4.629 0.294 15 0 "[ . 1 . 2]" 1
326 1 55 GLU HB3 1 56 SER H 3.931 . 5.862 4.104 3.446 4.449 . 0 0 "[ . 1 . 2]" 1
327 1 19 GLU H 1 19 GLU HB3 2.549 . 3.361 3.543 2.643 3.628 0.267 13 0 "[ . 1 . 2]" 1
328 1 50 PHE HB2 1 51 CYS H 3.962 . 5.924 2.740 2.488 3.160 . 0 0 "[ . 1 . 2]" 1
329 1 19 GLU H 1 35 HIS HD1 3.807 . 5.619 4.537 3.953 5.507 . 0 0 "[ . 1 . 2]" 1
330 1 20 LEU H 1 20 LEU HB3 2.999 . 4.123 2.787 2.677 2.889 . 0 0 "[ . 1 . 2]" 1
331 1 19 GLU HA 1 20 LEU H 2.075 . 2.613 2.286 2.190 2.524 . 0 0 "[ . 1 . 2]" 1
332 1 20 LEU HA 1 21 PHE H 2.565 . 3.387 2.194 2.165 2.255 . 0 0 "[ . 1 . 2]" 1
333 1 21 PHE H 1 21 PHE HB2 2.936 . 4.013 2.588 2.487 2.668 . 0 0 "[ . 1 . 2]" 1
334 1 20 LEU HB3 1 21 PHE H 3.764 . 5.535 4.040 3.701 4.145 . 0 0 "[ . 1 . 2]" 1
335 1 21 PHE H 1 22 CYS H 3.398 . 4.841 3.225 2.789 3.423 . 0 0 "[ . 1 . 2]" 1
336 1 21 PHE HA 1 22 CYS H 3.375 . 4.799 2.620 2.521 2.764 . 0 0 "[ . 1 . 2]" 1
337 1 22 CYS H 1 22 CYS QB 4.088 . 4.121 2.800 2.725 3.253 . 0 0 "[ . 1 . 2]" 1
338 1 20 LEU HB3 1 22 CYS H 3.058 . 4.227 3.748 3.258 4.133 . 0 0 "[ . 1 . 2]" 1
339 1 23 CYS H 1 46 TRP HH2 4.233 . 6.473 4.350 3.536 4.993 . 0 0 "[ . 1 . 2]" 1
340 1 22 CYS HA 1 23 CYS H 2.935 . 4.012 2.293 2.236 2.507 . 0 0 "[ . 1 . 2]" 1
341 1 23 CYS H 1 23 CYS HB2 2.883 . 3.922 2.750 2.679 2.815 . 0 0 "[ . 1 . 2]" 1
342 1 23 CYS H 1 48 CYS HB2 3.108 . 4.315 2.830 2.399 3.177 . 0 0 "[ . 1 . 2]" 1
343 1 22 CYS QB 1 23 CYS H 4.655 . 4.738 2.728 2.304 2.868 . 0 0 "[ . 1 . 2]" 1
344 1 23 CYS HA 1 24 ASP H 3.007 . 4.137 2.487 2.412 2.571 . 0 0 "[ . 1 . 2]" 1
345 1 23 CYS HB3 1 24 ASP H 2.907 . 3.963 2.593 2.398 2.784 . 0 0 "[ . 1 . 2]" 1
346 1 23 CYS HB2 1 24 ASP H 4.046 . 6.092 3.332 3.152 3.456 . 0 0 "[ . 1 . 2]" 1
347 1 29 VAL H 1 30 PHE H 2.675 . 3.569 2.348 2.214 2.467 . 0 0 "[ . 1 . 2]" 1
348 1 30 PHE H 1 30 PHE QD 4.074 . 6.149 3.463 3.237 3.612 . 0 0 "[ . 1 . 2]" 1
349 1 29 VAL HA 1 30 PHE H 3.480 . 4.993 3.548 3.515 3.577 . 0 0 "[ . 1 . 2]" 1
350 1 30 PHE H 1 30 PHE HB2 3.129 . 4.353 2.792 2.730 2.850 . 0 0 "[ . 1 . 2]" 1
351 1 29 VAL HB 1 30 PHE H 3.108 . 4.316 3.464 2.628 3.878 . 0 0 "[ . 1 . 2]" 1
352 1 29 VAL QG 1 30 PHE H 4.041 . 6.082 2.446 2.045 3.339 . 0 0 "[ . 1 . 2]" 1
353 1 33 ASP H 1 36 ILE MD 4.023 . 6.047 4.631 4.161 6.353 0.306 12 0 "[ . 1 . 2]" 1
354 1 28 ARG HA 1 29 VAL H 3.110 . 4.319 3.482 3.447 3.511 . 0 0 "[ . 1 . 2]" 1
355 1 28 ARG HD2 1 29 VAL H 4.206 . 6.417 6.011 5.067 6.568 0.151 13 0 "[ . 1 . 2]" 1
356 1 28 ARG QB 1 29 VAL H 2.541 . 3.348 2.813 2.640 2.947 . 0 0 "[ . 1 . 2]" 1
357 1 28 ARG HG3 1 29 VAL H 4.581 . 7.204 4.568 4.420 4.678 . 0 0 "[ . 1 . 2]" 1
358 1 34 CYS H 1 35 HIS HB3 4.502 . 7.036 6.199 6.057 6.325 . 0 0 "[ . 1 . 2]" 1
359 1 34 CYS HA 1 35 HIS H 3.672 . 5.358 3.390 3.320 3.495 . 0 0 "[ . 1 . 2]" 1
360 1 35 HIS H 1 35 HIS HB3 3.856 . 5.714 3.699 3.634 3.746 . 0 0 "[ . 1 . 2]" 1
361 1 35 HIS H 1 35 HIS HB2 2.569 . 3.394 2.546 2.423 2.667 . 0 0 "[ . 1 . 2]" 1
362 1 42 GLU H 1 43 ARG H 3.136 . 4.366 3.226 2.115 4.511 0.145 2 0 "[ . 1 . 2]" 1
363 1 41 ALA HA 1 42 GLU H 3.080 . 4.266 3.141 2.125 3.563 . 0 0 "[ . 1 . 2]" 1
364 1 41 ALA MB 1 42 GLU H 3.572 . 5.167 2.949 1.891 3.704 0.086 6 0 "[ . 1 . 2]" 1
365 1 42 GLU HA 1 43 ARG H 3.154 . 4.397 2.785 2.360 3.558 . 0 0 "[ . 1 . 2]" 1
366 1 43 ARG H 1 44 THR H 2.838 . 3.845 2.741 2.210 4.269 0.424 2 0 "[ . 1 . 2]" 1
367 1 43 ARG HA 1 44 THR H 2.813 . 3.802 2.961 2.229 3.554 . 0 0 "[ . 1 . 2]" 1
368 1 44 THR H 1 44 THR HB 3.801 . 5.607 3.522 2.629 4.109 . 0 0 "[ . 1 . 2]" 1
369 1 43 ARG HB3 1 44 THR H 4.084 . 6.169 4.192 3.041 4.637 . 0 0 "[ . 1 . 2]" 1
370 1 43 ARG HB2 1 44 THR H 3.903 . 5.807 3.950 2.384 4.540 . 0 0 "[ . 1 . 2]" 1
371 1 44 THR H 1 44 THR MG 3.494 . 5.020 2.797 2.128 4.017 . 0 0 "[ . 1 . 2]" 1
372 1 47 ASN HA 1 48 CYS H 2.758 . 3.709 2.207 2.134 2.338 . 0 0 "[ . 1 . 2]" 1
373 1 22 CYS HA 1 49 ILE H 3.679 . 5.371 3.872 3.597 4.110 . 0 0 "[ . 1 . 2]" 1
374 1 48 CYS HA 1 49 ILE H 2.592 . 3.432 2.134 2.115 2.150 . 0 0 "[ . 1 . 2]" 1
375 1 49 ILE H 1 49 ILE HB 3.830 . 5.664 3.621 3.603 3.639 . 0 0 "[ . 1 . 2]" 1
376 1 49 ILE H 1 49 ILE MG 3.077 . 4.261 2.333 2.024 2.403 . 0 0 "[ . 1 . 2]" 1
377 1 50 PHE H 1 51 CYS H 3.080 . 4.265 2.597 2.544 2.685 . 0 0 "[ . 1 . 2]" 1
378 1 50 PHE H 1 50 PHE QD 4.189 . 6.383 2.617 2.344 2.919 . 0 0 "[ . 1 . 2]" 1
379 1 49 ILE HA 1 50 PHE H 3.823 . 5.650 3.507 3.465 3.525 . 0 0 "[ . 1 . 2]" 1
380 1 50 PHE H 1 50 PHE HB2 4.154 . 6.311 2.403 2.235 2.593 . 0 0 "[ . 1 . 2]" 1
381 1 50 PHE H 1 50 PHE HB3 3.359 . 4.770 3.600 3.528 3.645 . 0 0 "[ . 1 . 2]" 1
382 1 49 ILE HB 1 50 PHE H 3.905 . 5.811 3.773 3.663 3.969 . 0 0 "[ . 1 . 2]" 1
383 1 49 ILE MG 1 50 PHE H 4.842 . 7.773 4.112 3.998 4.168 . 0 0 "[ . 1 . 2]" 1
384 1 51 CYS H 1 52 ARG H 3.105 . 4.310 2.543 2.432 2.687 . 0 0 "[ . 1 . 2]" 1
385 1 53 MET HA 1 54 LYS H 2.982 . 4.093 2.958 2.201 3.552 . 0 0 "[ . 1 . 2]" 1
386 1 54 LYS H 1 55 GLU H 3.378 . 4.805 3.283 2.205 4.635 . 0 0 "[ . 1 . 2]" 1
387 1 54 LYS HA 1 55 GLU H 2.920 . 3.986 2.969 2.191 3.574 . 0 0 "[ . 1 . 2]" 1
388 1 55 GLU H 1 55 GLU HB2 3.911 . 5.823 3.012 2.471 3.616 . 0 0 "[ . 1 . 2]" 1
389 1 55 GLU H 1 55 GLU HB3 2.881 . 3.919 3.389 2.667 4.087 0.168 5 0 "[ . 1 . 2]" 1
390 1 2 ALA HA 1 3 MET H 3.587 . 5.195 3.129 2.598 3.570 . 0 0 "[ . 1 . 2]" 1
391 1 3 MET H 1 3 MET HG2 4.954 . 8.021 4.170 2.287 5.335 . 0 0 "[ . 1 . 2]" 1
392 1 2 ALA MB 1 3 MET H 4.525 . 7.085 3.239 1.890 3.730 0.075 17 0 "[ . 1 . 2]" 1
393 1 3 MET HA 1 4 GLY H 3.363 . 4.776 3.341 2.138 3.576 . 0 0 "[ . 1 . 2]" 1
394 1 28 ARG H 1 30 PHE H 3.482 . 4.997 4.204 4.024 4.346 . 0 0 "[ . 1 . 2]" 1
395 1 28 ARG H 1 28 ARG HA 2.528 . 3.327 2.829 2.782 2.874 . 0 0 "[ . 1 . 2]" 1
396 1 29 VAL H 1 30 PHE HA 4.407 . 6.835 4.998 4.867 5.094 . 0 0 "[ . 1 . 2]" 1
397 1 22 CYS QB 1 27 SER H 3.819 . 5.642 2.888 2.594 4.004 . 0 0 "[ . 1 . 2]" 1
398 1 6 ARG HA 1 7 ASN H 2.380 . 3.088 2.643 2.130 3.414 0.326 10 0 "[ . 1 . 2]" 1
399 1 7 ASN H 1 7 ASN HB3 2.988 . 4.104 2.996 2.456 3.775 . 0 0 "[ . 1 . 2]" 1
400 1 7 ASN H 1 7 ASN HB2 3.074 . 4.255 2.857 2.302 3.677 . 0 0 "[ . 1 . 2]" 1
401 1 7 ASN HA 1 8 LEU H 2.020 . 2.530 2.245 2.114 2.476 . 0 0 "[ . 1 . 2]" 1
402 1 8 LEU H 1 8 LEU QD 3.593 . 4.401 2.896 1.975 3.477 0.004 19 0 "[ . 1 . 2]" 1
403 1 9 ASP H 1 9 ASP HA 2.556 . 3.373 2.885 2.289 2.944 . 0 0 "[ . 1 . 2]" 1
404 1 40 GLU HA 1 41 ALA H 3.031 . 4.180 3.106 2.260 3.556 . 0 0 "[ . 1 . 2]" 1
405 1 41 ALA H 1 41 ALA MB 2.616 . 3.471 2.461 2.225 2.938 . 0 0 "[ . 1 . 2]" 1
406 1 46 TRP H 1 46 TRP HB2 3.644 . 5.304 3.222 2.427 3.633 . 0 0 "[ . 1 . 2]" 1
407 1 46 TRP H 1 46 TRP HB3 3.336 . 4.727 2.843 2.506 3.157 . 0 0 "[ . 1 . 2]" 1
408 1 44 THR HA 1 46 TRP H 3.413 . 4.869 3.662 2.771 4.776 . 0 0 "[ . 1 . 2]" 1
409 1 45 PRO HA 1 46 TRP H 3.064 . 4.238 3.156 2.241 3.593 . 0 0 "[ . 1 . 2]" 1
410 1 46 TRP HA 1 47 ASN H 3.048 . 4.209 2.342 2.118 3.548 . 0 0 "[ . 1 . 2]" 1
411 1 48 CYS H 1 48 CYS HB2 2.910 . 3.969 2.725 2.558 2.993 . 0 0 "[ . 1 . 2]" 1
412 1 48 CYS H 1 48 CYS HB3 2.748 . 3.692 2.458 2.311 2.560 . 0 0 "[ . 1 . 2]" 1
413 1 47 ASN HB2 1 48 CYS H 3.273 . 4.612 4.060 2.646 4.525 . 0 0 "[ . 1 . 2]" 1
414 1 47 ASN HB3 1 48 CYS H 3.829 . 5.662 3.797 2.779 4.383 . 0 0 "[ . 1 . 2]" 1
415 1 12 GLU HA 1 14 CYS H 3.855 . 5.713 4.448 4.203 4.824 . 0 0 "[ . 1 . 2]" 1
416 1 13 VAL HA 1 14 CYS H 3.237 . 4.547 3.556 3.521 3.580 . 0 0 "[ . 1 . 2]" 1
417 1 35 HIS HB3 1 36 ILE H 4.714 . 7.491 4.363 3.837 4.486 . 0 0 "[ . 1 . 2]" 1
418 1 35 HIS HB2 1 36 ILE H 4.001 . 6.002 3.807 3.020 4.265 . 0 0 "[ . 1 . 2]" 1
419 1 22 CYS QB 1 26 CYS H 3.932 . 5.864 4.202 4.000 4.575 . 0 0 "[ . 1 . 2]" 1
420 1 20 LEU H 1 21 PHE H 4.215 . 6.435 4.328 4.198 4.550 . 0 0 "[ . 1 . 2]" 1
421 1 30 PHE HB2 1 31 HIS H 3.816 . 5.636 4.306 4.151 4.435 . 0 0 "[ . 1 . 2]" 1
422 1 43 ARG H 1 43 ARG HB2 3.959 . 5.918 3.079 2.355 4.003 . 0 0 "[ . 1 . 2]" 1
423 1 5 MET HA 1 6 ARG H 2.259 . 2.897 2.417 2.127 3.548 0.651 12 2 "[ . 1-+ . 2]" 1
424 1 36 ILE H 1 49 ILE MD 3.402 . 4.848 3.531 3.175 4.485 . 0 0 "[ . 1 . 2]" 1
425 1 9 ASP H 1 9 ASP HB2 2.327 . 3.004 2.883 2.345 3.716 0.712 7 5 "[ . + *1 ** . -2]" 1
426 1 15 ARG HE 1 15 ARG HG3 3.644 . 5.304 2.773 2.432 3.647 . 0 0 "[ . 1 . 2]" 1
427 1 13 VAL QG 1 17 GLY H 4.836 . 7.760 4.376 4.144 4.521 . 0 0 "[ . 1 . 2]" 1
428 1 39 VAL H 1 39 VAL HB 2.908 . 3.965 3.303 2.500 3.773 . 0 0 "[ . 1 . 2]" 1
429 1 47 ASN H 1 48 CYS H 3.795 . 5.595 4.085 3.482 4.346 . 0 0 "[ . 1 . 2]" 1
430 1 51 CYS H 1 51 CYS HB2 2.751 . 3.697 2.319 2.235 2.385 . 0 0 "[ . 1 . 2]" 1
431 1 8 LEU QD 1 9 ASP H 3.941 . 5.883 3.900 3.176 4.296 . 0 0 "[ . 1 . 2]" 1
432 1 8 LEU HA 1 11 CYS H 3.633 . 5.283 4.223 3.297 5.572 0.289 15 0 "[ . 1 . 2]" 1
433 1 19 GLU HG2 1 20 LEU H 3.576 . 5.174 4.280 3.815 4.867 . 0 0 "[ . 1 . 2]" 1
434 1 38 PRO HA 1 39 VAL H 2.529 . 3.328 2.664 2.169 3.535 0.207 19 0 "[ . 1 . 2]" 1
435 1 39 VAL H 1 39 VAL MG1 2.479 . 3.247 2.872 1.968 3.953 0.706 7 6 "[ * .-+ 1** .* 2]" 1
436 1 27 SER HB2 1 31 HIS HD1 4.944 . 8.000 3.879 2.812 4.651 . 0 0 "[ . 1 . 2]" 1
437 1 31 HIS HA 1 31 HIS HD1 3.623 . 5.263 2.741 2.413 3.020 . 0 0 "[ . 1 . 2]" 1
438 1 31 HIS HB2 1 31 HIS HD1 3.581 . 5.184 2.808 2.676 2.967 . 0 0 "[ . 1 . 2]" 1
439 1 35 HIS HA 1 35 HIS HD1 2.692 . 3.598 3.241 3.090 3.485 . 0 0 "[ . 1 . 2]" 1
440 1 20 LEU HA 1 35 HIS HD1 3.129 . 4.353 3.403 3.116 4.019 . 0 0 "[ . 1 . 2]" 1
441 1 18 GLY HA2 1 35 HIS HD1 4.890 . 7.879 5.531 4.871 6.342 . 0 0 "[ . 1 . 2]" 1
442 1 35 HIS HB3 1 35 HIS HD1 2.956 . 4.048 2.614 2.555 2.663 . 0 0 "[ . 1 . 2]" 1
443 1 20 LEU HG 1 35 HIS HD1 3.684 . 5.381 4.271 3.847 6.334 0.953 6 1 "[ .+ 1 . 2]" 1
444 1 20 LEU MD1 1 35 HIS HD1 4.320 . 6.653 4.788 3.885 5.885 . 0 0 "[ . 1 . 2]" 1
445 1 13 VAL QG 1 35 HIS HD1 2.860 . 3.882 2.428 2.228 2.820 . 0 0 "[ . 1 . 2]" 1
446 1 35 HIS HA 1 36 ILE H 2.972 . 4.076 3.111 2.735 3.463 . 0 0 "[ . 1 . 2]" 1
447 1 21 PHE QD 1 35 HIS HA 3.686 . 5.384 3.399 2.873 4.391 . 0 0 "[ . 1 . 2]" 1
448 1 35 HIS HA 1 35 HIS HD2 4.150 . 6.303 4.190 3.997 4.412 . 0 0 "[ . 1 . 2]" 1
449 1 21 PHE HA 1 21 PHE QD 3.546 . 5.118 2.590 2.197 2.760 . 0 0 "[ . 1 . 2]" 1
450 1 20 LEU HA 1 21 PHE QD 4.141 . 6.284 4.047 3.776 4.476 . 0 0 "[ . 1 . 2]" 1
451 1 21 PHE HB3 1 21 PHE QD 3.201 . 4.482 2.537 2.474 2.676 . 0 0 "[ . 1 . 2]" 1
452 1 21 PHE QD 1 46 TRP HB3 4.294 . 6.599 5.613 4.533 6.796 0.197 11 0 "[ . 1 . 2]" 1
453 1 33 ASP HB3 1 50 PHE QE 4.559 . 7.157 3.080 2.259 3.715 . 0 0 "[ . 1 . 2]" 1
454 1 21 PHE H 1 21 PHE QD 3.614 . 5.247 3.031 2.738 3.348 . 0 0 "[ . 1 . 2]" 1
455 1 19 GLU HB3 1 21 PHE QE 3.452 . 4.941 3.532 2.767 4.811 . 0 0 "[ . 1 . 2]" 1
456 1 46 TRP HE3 1 47 ASN HA 3.268 . 4.603 3.457 2.928 3.846 . 0 0 "[ . 1 . 2]" 1
457 1 21 PHE HA 1 46 TRP HD1 3.737 . 5.483 3.949 3.140 6.378 0.895 8 1 "[ . + 1 . 2]" 1
458 1 46 TRP HA 1 46 TRP HD1 3.276 . 4.618 3.180 2.742 4.360 . 0 0 "[ . 1 . 2]" 1
459 1 46 TRP HB3 1 46 TRP HE3 2.836 . 3.841 2.617 2.375 4.141 0.300 8 0 "[ . 1 . 2]" 1
460 1 46 TRP HB2 1 46 TRP HD1 2.981 . 4.092 2.770 2.629 3.800 . 0 0 "[ . 1 . 2]" 1
461 1 11 CYS H 1 11 CYS HA 2.687 . 3.589 2.873 2.779 2.938 . 0 0 "[ . 1 . 2]" 1
462 1 20 LEU MD2 1 35 HIS HE1 4.047 . 6.094 4.433 3.955 4.825 . 0 0 "[ . 1 . 2]" 1
463 1 20 LEU MD2 1 31 HIS HE1 3.706 . 5.423 4.251 3.379 4.936 . 0 0 "[ . 1 . 2]" 1
464 1 20 LEU MD1 1 20 LEU MD2 2.188 . 2.786 2.072 2.063 2.080 . 0 0 "[ . 1 . 2]" 1
465 1 20 LEU HB3 1 35 HIS HE1 4.175 . 6.354 4.547 4.265 5.450 . 0 0 "[ . 1 . 2]" 1
466 1 23 CYS HA 1 46 TRP HH2 3.977 . 5.955 3.413 2.600 4.239 . 0 0 "[ . 1 . 2]" 1
467 1 19 GLU HB2 1 21 PHE HZ 2.866 . 3.893 3.037 2.471 3.919 0.026 2 0 "[ . 1 . 2]" 1
468 1 19 GLU HB3 1 21 PHE HZ 3.053 . 4.218 3.628 2.701 5.104 0.886 2 1 "[ + . 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 133
_Distance_constraint_stats_list.Viol_count 65
_Distance_constraint_stats_list.Viol_total 389.864
_Distance_constraint_stats_list.Viol_max 1.677
_Distance_constraint_stats_list.Viol_rms 0.0681
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0073
_Distance_constraint_stats_list.Viol_average_violations_only 0.2999
_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 3 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ARG 5.929 1.130 3 4 "[ + . -1 *. * 2]"
1 7 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LEU 1.777 1.130 3 2 "[ + . 1 -. 2]"
1 9 ASP 0.306 0.306 20 0 "[ . 1 . 2]"
1 10 GLU 5.300 0.748 14 7 "[ . **-1** +. *2]"
1 11 CYS 0.106 0.060 15 0 "[ . 1 . 2]"
1 12 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ARG 0.096 0.096 9 0 "[ . 1 . 2]"
1 16 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLU 0.073 0.030 12 0 "[ . 1 . 2]"
1 20 LEU 0.001 0.001 16 0 "[ . 1 . 2]"
1 21 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 CYS 0.782 0.129 11 0 "[ . 1 . 2]"
1 23 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ASP 0.056 0.056 16 0 "[ . 1 . 2]"
1 25 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 CYS 0.709 0.129 11 0 "[ . 1 . 2]"
1 27 SER 0.317 0.186 16 0 "[ . 1 . 2]"
1 28 ARG 0.186 0.186 16 0 "[ . 1 . 2]"
1 29 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ASP 0.945 0.411 18 0 "[ . 1 . 2]"
1 34 CYS 0.709 0.129 11 0 "[ . 1 . 2]"
1 38 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 VAL 2.856 1.677 1 2 "[+ . 1 - . 2]"
1 40 GLU 0.040 0.040 7 0 "[ . 1 . 2]"
1 41 ALA 2.577 0.724 19 3 "[ . * - . +2]"
1 42 GLU 5.283 1.677 1 5 "[+ . * -* . *2]"
1 43 ARG 0.404 0.187 3 0 "[ . 1 . 2]"
1 44 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ILE 0.945 0.411 18 0 "[ . 1 . 2]"
1 50 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ARG 0.176 0.093 20 0 "[ . 1 . 2]"
1 53 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLU 0.069 0.069 18 0 "[ . 1 . 2]"
1 56 SER 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 31 HIS HD2 1 32 GLU QG 3.611 . 5.241 3.785 3.016 4.892 . 0 0 "[ . 1 . 2]" 2
2 1 49 ILE QG 1 50 PHE QD 3.906 . 5.813 2.687 2.169 3.198 . 0 0 "[ . 1 . 2]" 2
3 1 33 ASP QB 1 50 PHE HZ 2.697 . 3.606 2.211 2.071 2.394 . 0 0 "[ . 1 . 2]" 2
4 1 38 PRO HA 1 38 PRO QB 2.230 . 2.852 2.189 2.177 2.220 . 0 0 "[ . 1 . 2]" 2
5 1 38 PRO HA 1 38 PRO QG 2.714 . 3.634 3.322 2.964 3.529 . 0 0 "[ . 1 . 2]" 2
6 1 38 PRO QB 1 38 PRO HG2 1.988 . 2.482 2.133 2.121 2.140 . 0 0 "[ . 1 . 2]" 2
7 1 22 CYS QB 1 27 SER QB 2.912 . 3.972 2.682 2.276 4.045 0.073 19 0 "[ . 1 . 2]" 2
8 1 22 CYS QB 1 26 CYS QB 3.747 . 5.502 1.998 1.863 2.147 0.129 11 0 "[ . 1 . 2]" 2
9 1 12 GLU QB 1 13 VAL HA 3.451 . 4.940 3.971 3.807 4.347 . 0 0 "[ . 1 . 2]" 2
10 1 6 ARG HA 1 6 ARG QB 2.426 . 3.162 2.376 2.183 2.451 . 0 0 "[ . 1 . 2]" 2
11 1 6 ARG QB 1 6 ARG HD2 2.529 . 3.329 2.430 2.139 2.932 . 0 0 "[ . 1 . 2]" 2
12 1 6 ARG QD 1 6 ARG HG2 2.203 . 2.810 2.190 2.012 2.299 . 0 0 "[ . 1 . 2]" 2
13 1 9 ASP HA 1 9 ASP QB 2.189 . 2.788 2.339 2.180 2.449 . 0 0 "[ . 1 . 2]" 2
14 1 12 GLU HA 1 15 ARG QD 3.034 . 4.184 2.767 1.988 3.343 . 0 0 "[ . 1 . 2]" 2
15 1 15 ARG HA 1 15 ARG QD 3.805 . 5.614 4.050 3.924 4.260 . 0 0 "[ . 1 . 2]" 2
16 1 15 ARG QB 1 15 ARG HD2 2.276 . 2.923 2.243 2.114 2.794 . 0 0 "[ . 1 . 2]" 2
17 1 15 ARG HA 1 15 ARG QB 2.129 . 2.696 2.354 2.295 2.418 . 0 0 "[ . 1 . 2]" 2
18 1 15 ARG QD 1 15 ARG HG2 2.257 . 2.894 2.335 2.169 2.403 . 0 0 "[ . 1 . 2]" 2
19 1 15 ARG QD 1 15 ARG HG3 2.139 . 2.711 2.327 2.168 2.470 . 0 0 "[ . 1 . 2]" 2
20 1 32 GLU HA 1 32 GLU QG 2.496 . 3.275 2.536 2.390 2.954 . 0 0 "[ . 1 . 2]" 2
21 1 32 GLU HA 1 32 GLU QB 2.208 . 2.817 2.368 2.315 2.467 . 0 0 "[ . 1 . 2]" 2
22 1 32 GLU HB2 1 32 GLU QG 2.478 . 3.245 2.337 2.156 2.450 . 0 0 "[ . 1 . 2]" 2
23 1 32 GLU HB3 1 32 GLU QG 2.489 . 3.264 2.281 2.148 2.413 . 0 0 "[ . 1 . 2]" 2
24 1 32 GLU QB 1 32 GLU HG3 2.052 . 2.578 2.118 2.101 2.128 . 0 0 "[ . 1 . 2]" 2
25 1 38 PRO HD3 1 38 PRO QG 2.437 . 3.179 2.209 2.183 2.241 . 0 0 "[ . 1 . 2]" 2
26 1 38 PRO QB 1 39 VAL HA 2.799 . 6.000 4.486 4.043 5.311 . 0 0 "[ . 1 . 2]" 2
27 1 39 VAL HA 1 39 VAL QG 2.233 . 2.856 2.229 2.134 2.367 . 0 0 "[ . 1 . 2]" 2
28 1 25 THR HA 1 26 CYS QB 3.546 . 6.000 5.506 5.479 5.549 . 0 0 "[ . 1 . 2]" 2
29 1 26 CYS HA 1 26 CYS QB 2.442 . 3.188 2.349 2.312 2.367 . 0 0 "[ . 1 . 2]" 2
30 1 27 SER HA 1 27 SER QB 2.274 . 2.920 2.359 2.185 2.419 . 0 0 "[ . 1 . 2]" 2
31 1 27 SER QB 1 34 CYS QB 3.355 . 6.000 4.191 3.590 4.786 . 0 0 "[ . 1 . 2]" 2
32 1 49 ILE HB 1 49 ILE QG 2.451 . 3.202 2.351 2.328 2.367 . 0 0 "[ . 1 . 2]" 2
33 1 52 ARG HA 1 52 ARG QD 3.019 . 4.158 3.096 1.914 4.251 0.093 20 0 "[ . 1 . 2]" 2
34 1 52 ARG QB 1 52 ARG HD2 2.631 . 3.496 2.473 2.228 3.142 . 0 0 "[ . 1 . 2]" 2
35 1 52 ARG QD 1 52 ARG QG 2.303 . 2.966 2.042 1.976 2.093 . 0 0 "[ . 1 . 2]" 2
36 1 52 ARG HA 1 52 ARG QG 2.976 . 4.083 2.692 2.350 3.034 . 0 0 "[ . 1 . 2]" 2
37 1 54 LYS QE 1 54 LYS QG 2.649 . 3.526 2.453 2.160 2.838 . 0 0 "[ . 1 . 2]" 2
38 1 55 GLU HA 1 55 GLU QG 3.040 . 4.195 2.753 2.406 3.336 . 0 0 "[ . 1 . 2]" 2
39 1 28 ARG QD 1 28 ARG HG2 2.244 . 2.874 2.167 2.084 2.272 . 0 0 "[ . 1 . 2]" 2
40 1 25 THR HA 1 28 ARG QG 4.118 . 6.238 3.518 2.704 4.031 . 0 0 "[ . 1 . 2]" 2
41 1 29 VAL QG 1 30 PHE QE 3.139 . 4.371 2.802 2.604 2.939 . 0 0 "[ . 1 . 2]" 2
42 1 33 ASP QB 1 49 ILE MD 3.224 . 4.524 4.055 3.407 4.935 0.411 18 0 "[ . 1 . 2]" 2
43 1 30 PHE HB3 1 50 PHE QE 3.368 . 4.786 2.808 2.294 3.231 . 0 0 "[ . 1 . 2]" 2
44 1 30 PHE HB2 1 50 PHE QE 3.557 . 5.139 2.981 2.514 3.398 . 0 0 "[ . 1 . 2]" 2
45 1 46 TRP HA 1 46 TRP QB 2.959 . 4.053 2.365 2.195 2.431 . 0 0 "[ . 1 . 2]" 2
46 1 38 PRO QB 1 38 PRO HD2 3.452 . 4.942 3.253 2.887 3.532 . 0 0 "[ . 1 . 2]" 2
47 1 38 PRO QB 1 38 PRO HD3 4.165 . 6.334 3.228 2.912 3.551 . 0 0 "[ . 1 . 2]" 2
48 1 21 PHE HB2 1 49 ILE QG 3.286 . 4.636 3.202 2.646 4.183 . 0 0 "[ . 1 . 2]" 2
49 1 20 LEU HB3 1 20 LEU MD2 2.377 . 3.083 1.967 1.950 1.987 . 0 0 "[ . 1 . 2]" 2
50 1 20 LEU MD2 1 27 SER QB 3.247 . 4.565 2.290 1.928 2.634 0.001 16 0 "[ . 1 . 2]" 2
51 1 22 CYS QB 1 26 CYS QB 2.731 . 3.664 2.113 1.998 2.211 . 0 0 "[ . 1 . 2]" 2
52 1 24 ASP HA 1 24 ASP QB 2.366 . 3.066 2.367 2.274 2.419 . 0 0 "[ . 1 . 2]" 2
53 1 24 ASP HA 1 27 SER QB 2.785 . 3.755 2.804 2.522 3.811 0.056 16 0 "[ . 1 . 2]" 2
54 1 39 VAL HB 1 39 VAL QG 2.036 . 2.554 1.896 1.889 1.899 . 0 0 "[ . 1 . 2]" 2
55 1 51 CYS HA 1 51 CYS QB 3.232 . 4.538 2.452 2.419 2.493 . 0 0 "[ . 1 . 2]" 2
56 1 54 LYS QB 1 55 GLU HA 2.857 . 6.000 4.247 3.710 4.762 . 0 0 "[ . 1 . 2]" 2
57 1 34 CYS HA 1 49 ILE QG 2.553 . 6.000 3.353 3.085 3.921 . 0 0 "[ . 1 . 2]" 2
58 1 6 ARG HA 1 6 ARG QG 2.683 . 3.583 2.730 2.363 3.349 . 0 0 "[ . 1 . 2]" 2
59 1 10 GLU HA 1 10 GLU QG 2.162 . 2.746 2.689 2.360 3.344 0.598 11 4 "[ . -1+* . *2]" 2
60 1 9 ASP QB 1 10 GLU HA 3.464 . 4.964 4.305 3.848 5.270 0.306 20 0 "[ . 1 . 2]" 2
61 1 5 MET HA 1 6 ARG QG 4.349 . 6.714 4.487 3.723 6.577 . 0 0 "[ . 1 . 2]" 2
62 1 42 GLU HA 1 42 GLU QG 2.491 . 3.267 2.746 2.336 3.483 0.216 2 0 "[ . 1 . 2]" 2
63 1 49 ILE QG 1 49 ILE MG 2.748 . 3.692 2.382 2.350 2.413 . 0 0 "[ . 1 . 2]" 2
64 1 49 ILE HA 1 49 ILE QG 3.116 . 4.330 3.319 3.303 3.333 . 0 0 "[ . 1 . 2]" 2
65 1 43 ARG HA 1 43 ARG QD 3.402 . 4.848 3.861 2.179 4.561 . 0 0 "[ . 1 . 2]" 2
66 1 20 LEU MD1 1 27 SER QB 3.125 . 4.346 2.895 2.045 3.242 . 0 0 "[ . 1 . 2]" 2
67 1 28 ARG HA 1 28 ARG QD 3.707 . 5.425 4.086 3.957 4.173 . 0 0 "[ . 1 . 2]" 2
68 1 28 ARG HA 1 28 ARG QG 2.486 . 3.258 2.376 2.328 2.432 . 0 0 "[ . 1 . 2]" 2
69 1 27 SER QB 1 28 ARG HG3 3.335 . 4.725 3.469 3.212 4.437 . 0 0 "[ . 1 . 2]" 2
70 1 12 GLU QG 1 13 VAL QG 3.826 . 5.656 4.622 3.392 5.241 . 0 0 "[ . 1 . 2]" 2
71 1 12 GLU QB 1 13 VAL QG 3.382 . 4.812 3.815 3.094 4.583 . 0 0 "[ . 1 . 2]" 2
72 1 54 LYS QB 1 54 LYS HG3 2.814 . 3.803 2.128 2.117 2.132 . 0 0 "[ . 1 . 2]" 2
73 1 41 ALA MB 1 42 GLU QG 2.675 . 3.569 3.183 2.683 4.293 0.724 19 3 "[ . * - . +2]" 2
74 1 49 ILE MD 1 49 ILE QG 1.899 . 2.350 1.886 1.882 1.888 . 0 0 "[ . 1 . 2]" 2
75 1 3 MET QB 1 4 GLY QA 3.998 . 5.996 3.928 3.449 4.491 . 0 0 "[ . 1 . 2]" 2
76 1 3 MET HB2 1 4 GLY QA 3.297 . 4.656 3.827 3.481 4.559 . 0 0 "[ . 1 . 2]" 2
77 1 42 GLU HA 1 42 GLU QB 2.625 . 3.486 2.365 2.184 2.537 . 0 0 "[ . 1 . 2]" 2
78 1 49 ILE MD 1 50 PHE QE 3.152 . 4.394 2.894 2.579 3.444 . 0 0 "[ . 1 . 2]" 2
79 1 44 THR MG 1 45 PRO QD 4.057 . 6.114 4.119 3.369 5.059 . 0 0 "[ . 1 . 2]" 2
80 1 6 ARG HA 1 6 ARG QD 2.665 . 3.553 3.090 1.949 4.514 0.961 18 2 "[ . -1 . + 2]" 2
81 1 40 GLU HA 1 40 GLU QG 3.171 . 4.428 2.941 2.429 3.476 . 0 0 "[ . 1 . 2]" 2
82 1 19 GLU HA 1 19 GLU HB2 2.240 . 2.867 2.682 2.246 2.897 0.030 12 0 "[ . 1 . 2]" 2
83 1 20 LEU HB3 1 20 LEU MD1 2.147 . 2.723 2.017 1.990 2.099 . 0 0 "[ . 1 . 2]" 2
84 1 8 LEU QB 1 11 CYS QB 3.316 . 4.690 2.887 1.968 4.061 . 0 0 "[ . 1 . 2]" 2
85 1 53 MET HA 1 53 MET QB 2.980 . 4.090 2.372 2.181 2.424 . 0 0 "[ . 1 . 2]" 2
86 1 6 ARG QD 1 8 LEU QD 3.441 . 4.921 3.586 2.187 6.051 1.130 3 2 "[ + . 1 -. 2]" 2
87 1 6 ARG H 1 6 ARG QD 4.387 . 6.793 4.317 3.499 5.344 . 0 0 "[ . 1 . 2]" 2
88 1 6 ARG H 1 6 ARG QB 2.520 . 3.314 2.576 2.275 3.334 0.020 6 0 "[ . 1 . 2]" 2
89 1 8 LEU H 1 8 LEU QB 2.115 . 2.674 2.254 2.057 2.466 . 0 0 "[ . 1 . 2]" 2
90 1 8 LEU QB 1 9 ASP H 3.146 . 4.383 3.662 2.842 3.889 . 0 0 "[ . 1 . 2]" 2
91 1 9 ASP QB 1 10 GLU H 3.008 . 4.139 3.253 2.672 3.996 . 0 0 "[ . 1 . 2]" 2
92 1 10 GLU QB 1 11 CYS H 3.137 . 4.367 3.192 2.463 3.826 . 0 0 "[ . 1 . 2]" 2
93 1 13 VAL H 1 14 CYS H 2.166 . 2.752 2.336 2.284 2.384 . 0 0 "[ . 1 . 2]" 2
94 1 14 CYS H 1 15 ARG QB 4.302 . 6.615 4.468 4.209 4.857 . 0 0 "[ . 1 . 2]" 2
95 1 15 ARG H 1 15 ARG QB 2.033 . 2.550 2.342 2.203 2.646 0.096 9 0 "[ . 1 . 2]" 2
96 1 15 ARG QB 1 16 ASP H 2.359 . 3.055 2.575 2.505 2.636 . 0 0 "[ . 1 . 2]" 2
97 1 15 ARG QD 1 16 ASP H 3.630 . 5.278 4.591 4.241 4.864 . 0 0 "[ . 1 . 2]" 2
98 1 15 ARG QB 1 17 GLY H 4.127 . 6.256 4.382 4.264 4.471 . 0 0 "[ . 1 . 2]" 2
99 1 19 GLU HB2 1 20 LEU H 3.318 . 4.694 3.549 2.376 3.787 . 0 0 "[ . 1 . 2]" 2
100 1 23 CYS HB2 1 26 CYS H 2.484 . 3.256 2.198 2.109 2.258 . 0 0 "[ . 1 . 2]" 2
101 1 33 ASP H 1 50 PHE QE 4.467 . 6.961 4.267 3.824 4.630 . 0 0 "[ . 1 . 2]" 2
102 1 30 PHE HB2 1 33 ASP H 3.770 . 5.547 3.810 3.503 4.027 . 0 0 "[ . 1 . 2]" 2
103 1 39 VAL HA 1 40 GLU H 2.398 . 3.117 2.259 1.940 2.777 . 0 0 "[ . 1 . 2]" 2
104 1 52 ARG QB 1 53 MET H 3.231 . 4.536 2.944 2.641 3.369 . 0 0 "[ . 1 . 2]" 2
105 1 52 ARG QG 1 53 MET H 4.015 . 6.030 4.114 3.659 4.463 . 0 0 "[ . 1 . 2]" 2
106 1 56 SER H 1 56 SER QB 2.933 . 4.008 2.629 2.361 2.879 . 0 0 "[ . 1 . 2]" 2
107 1 24 ASP H 1 24 ASP QB 2.914 . 3.976 2.378 2.231 2.532 . 0 0 "[ . 1 . 2]" 2
108 1 42 GLU H 1 42 GLU QG 3.075 . 4.257 2.863 2.366 4.129 . 0 0 "[ . 1 . 2]" 2
109 1 42 GLU H 1 42 GLU QB 3.056 . 4.223 2.780 2.341 3.414 . 0 0 "[ . 1 . 2]" 2
110 1 39 VAL QG 1 42 GLU H 3.520 . 5.069 4.156 2.857 6.746 1.677 1 2 "[+ . 1 - . 2]" 2
111 1 42 GLU HB2 1 43 ARG H 3.175 . 4.435 3.004 1.838 3.637 0.077 1 0 "[ . 1 . 2]" 2
112 1 49 ILE H 1 49 ILE QG 2.557 . 3.374 1.929 1.831 2.108 . 0 0 "[ . 1 . 2]" 2
113 1 49 ILE QG 1 50 PHE H 3.328 . 4.712 2.282 2.129 2.444 . 0 0 "[ . 1 . 2]" 2
114 1 55 GLU H 1 55 GLU QG 3.826 . 5.656 3.377 1.927 4.474 0.069 18 0 "[ . 1 . 2]" 2
115 1 6 ARG QB 1 7 ASN H 3.501 . 5.033 3.660 3.108 4.032 . 0 0 "[ . 1 . 2]" 2
116 1 6 ARG QG 1 7 ASN H 4.314 . 6.640 4.447 3.738 4.898 . 0 0 "[ . 1 . 2]" 2
117 1 9 ASP H 1 10 GLU QB 3.821 . 5.646 4.322 3.885 5.494 . 0 0 "[ . 1 . 2]" 2
118 1 39 VAL QG 1 41 ALA H 3.908 . 5.817 3.829 1.744 5.201 0.255 9 0 "[ . 1 . 2]" 2
119 1 43 ARG H 1 43 ARG QG 3.603 . 5.226 2.929 1.793 4.100 0.187 3 0 "[ . 1 . 2]" 2
120 1 40 GLU QB 1 41 ALA H 3.720 . 5.450 3.347 1.950 4.025 0.040 7 0 "[ . 1 . 2]" 2
121 1 27 SER QB 1 28 ARG H 2.517 . 3.309 2.763 2.640 3.495 0.186 16 0 "[ . 1 . 2]" 2
122 1 53 MET H 1 53 MET QB 3.200 . 4.480 2.658 2.361 3.375 . 0 0 "[ . 1 . 2]" 2
123 1 41 ALA H 1 42 GLU QG 4.340 . 6.695 4.450 3.439 5.792 . 0 0 "[ . 1 . 2]" 2
124 1 10 GLU H 1 10 GLU QG 2.493 . 3.270 2.582 1.832 4.018 0.748 14 3 "[ . *- 1 +. 2]" 2
125 1 15 ARG QB 1 15 ARG HE 4.800 . 7.680 3.667 2.131 4.020 . 0 0 "[ . 1 . 2]" 2
126 1 43 ARG QG 1 44 THR H 3.930 . 5.860 4.203 3.384 4.709 . 0 0 "[ . 1 . 2]" 2
127 1 39 VAL QG 1 40 GLU H 3.495 . 5.022 3.322 2.635 3.753 . 0 0 "[ . 1 . 2]" 2
128 1 51 CYS H 1 52 ARG QG 4.219 . 6.444 5.178 3.888 6.384 . 0 0 "[ . 1 . 2]" 2
129 1 51 CYS QB 1 52 ARG H 3.157 . 4.403 2.924 2.773 3.032 . 0 0 "[ . 1 . 2]" 2
130 1 53 MET QG 1 54 LYS H 5.025 . 8.182 4.323 3.344 4.837 . 0 0 "[ . 1 . 2]" 2
131 1 54 LYS H 1 54 LYS QB 3.119 . 4.335 2.653 2.240 3.339 . 0 0 "[ . 1 . 2]" 2
132 1 19 GLU H 1 19 GLU HB2 2.240 . 2.867 2.215 2.116 2.447 . 0 0 "[ . 1 . 2]" 2
133 1 10 GLU QG 1 11 CYS H 3.125 . 4.345 3.852 2.501 4.405 0.060 15 0 "[ . 1 . 2]" 2
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