NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
437646 |
2k3g   |
15956 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k3g
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 573
_Distance_constraint_stats_list.Viol_count 1706
_Distance_constraint_stats_list.Viol_total 4008.979
_Distance_constraint_stats_list.Viol_max 0.759
_Distance_constraint_stats_list.Viol_rms 0.0792
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0159
_Distance_constraint_stats_list.Viol_average_violations_only 0.1119
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 2 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 3 GLU 3.819 0.140 9 0 "[ . 1 . 2 ]"
1 4 ASP 3.288 0.140 9 0 "[ . 1 . 2 ]"
1 5 THR 1.246 0.059 8 0 "[ . 1 . 2 ]"
1 6 LEU 2.124 0.090 18 0 "[ . 1 . 2 ]"
1 7 PRO 16.511 0.721 14 20 "[ *-**********+*******]"
1 8 PHE 2.835 0.096 9 0 "[ . 1 . 2 ]"
1 9 LEU 58.074 0.759 19 21 [****************-*+**]
1 10 LYS 4.554 0.441 19 0 "[ . 1 . 2 ]"
1 11 CYS 3.177 0.104 15 0 "[ . 1 . 2 ]"
1 12 TYR 18.200 0.755 15 21 [-*************+******]
1 13 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 14 SER 0.243 0.039 8 0 "[ . 1 . 2 ]"
1 16 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 17 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 18 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 19 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 20 ASP 0.194 0.038 1 0 "[ . 1 . 2 ]"
1 21 ALA 3.623 0.542 8 1 "[ . + 1 . 2 ]"
1 22 ILE 1.916 0.091 8 0 "[ . 1 . 2 ]"
1 23 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 24 ASN 0.380 0.028 16 0 "[ . 1 . 2 ]"
1 25 THR 2.882 0.301 18 0 "[ . 1 . 2 ]"
1 26 CYS 3.870 0.542 8 1 "[ . + 1 . 2 ]"
1 27 ILE 31.705 0.738 13 21 [**-*********+********]
1 28 THR 3.758 0.278 1 0 "[ . 1 . 2 ]"
1 29 ASN 4.450 0.396 8 0 "[ . 1 . 2 ]"
1 30 GLY 18.566 0.759 19 21 [************-*****+**]
1 31 HIS 12.251 0.663 15 6 "[ .* * * + - *2 ]"
1 32 CYS 16.165 0.664 13 21 [*******-****+********]
1 33 PHE 3.396 0.108 13 0 "[ . 1 . 2 ]"
1 34 ALA 0.090 0.028 11 0 "[ . 1 . 2 ]"
1 35 ILE 1.960 0.129 10 0 "[ . 1 . 2 ]"
1 36 ILE 1.702 0.109 13 0 "[ . 1 . 2 ]"
1 37 GLU 0.110 0.051 13 0 "[ . 1 . 2 ]"
1 38 GLU 1.929 0.149 7 0 "[ . 1 . 2 ]"
1 39 ASP 0.699 0.042 7 0 "[ . 1 . 2 ]"
1 40 ASP 0.876 0.046 14 0 "[ . 1 . 2 ]"
1 41 GLN 3.674 0.179 2 0 "[ . 1 . 2 ]"
1 42 GLY 2.387 0.046 14 0 "[ . 1 . 2 ]"
1 43 GLU 0.012 0.004 18 0 "[ . 1 . 2 ]"
1 44 THR 0.599 0.149 7 0 "[ . 1 . 2 ]"
1 45 THR 0.726 0.072 7 0 "[ . 1 . 2 ]"
1 46 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 47 ALA 0.243 0.039 8 0 "[ . 1 . 2 ]"
1 48 SER 0.006 0.006 15 0 "[ . 1 . 2 ]"
1 49 GLY 0.244 0.064 15 0 "[ . 1 . 2 ]"
1 50 CYS 0.287 0.165 15 0 "[ . 1 . 2 ]"
1 51 MET 2.818 0.211 11 0 "[ . 1 . 2 ]"
1 52 LYS 11.240 0.620 21 15 "[ -***** * ** ** ***+]"
1 53 TYR 0.697 0.241 20 0 "[ . 1 . 2 ]"
1 54 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 55 GLY 0.051 0.051 8 0 "[ . 1 . 2 ]"
1 56 SER 0.523 0.187 20 0 "[ . 1 . 2 ]"
1 57 ASP 0.409 0.187 20 0 "[ . 1 . 2 ]"
1 58 PHE 0.957 0.260 17 0 "[ . 1 . 2 ]"
1 59 GLN 1.410 0.260 17 0 "[ . 1 . 2 ]"
1 60 CYS 0.479 0.048 20 0 "[ . 1 . 2 ]"
1 61 LYS 0.095 0.042 19 0 "[ . 1 . 2 ]"
1 62 ASP 0.492 0.113 16 0 "[ . 1 . 2 ]"
1 63 SER 2.419 0.265 11 0 "[ . 1 . 2 ]"
1 64 PRO 2.566 0.265 11 0 "[ . 1 . 2 ]"
1 65 LYS 2.066 0.194 18 0 "[ . 1 . 2 ]"
1 66 ALA 6.306 0.699 18 6 "[- *. * 1 * . + * ]"
1 67 GLN 1.865 0.200 20 0 "[ . 1 . 2 ]"
1 68 LEU 6.411 0.699 18 6 "[- *. * 1 * . + * ]"
1 69 ARG 0.321 0.321 15 0 "[ . 1 . 2 ]"
1 70 ARG 6.726 0.355 12 0 "[ . 1 . 2 ]"
1 71 THR 9.537 0.539 3 7 "[ +**- *1 *.* 2 ]"
1 72 ILE 0.621 0.068 11 0 "[ . 1 . 2 ]"
1 73 GLU 1.995 0.129 10 0 "[ . 1 . 2 ]"
1 74 CYS 0.123 0.030 21 0 "[ . 1 . 2 ]"
1 75 CYS 3.164 0.138 13 0 "[ . 1 . 2 ]"
1 76 ARG 1.844 0.122 14 0 "[ . 1 . 2 ]"
1 77 THR 4.510 0.122 14 0 "[ . 1 . 2 ]"
1 78 ASN 9.537 0.441 19 0 "[ . 1 . 2 ]"
1 79 LEU 18.316 0.755 15 21 [-*************+******]
1 80 CYS 5.332 0.302 19 0 "[ . 1 . 2 ]"
1 81 ASN 1.955 0.093 1 0 "[ . 1 . 2 ]"
1 82 GLN 2.436 0.094 6 0 "[ . 1 . 2 ]"
1 83 TYR 0.082 0.006 21 0 "[ . 1 . 2 ]"
1 84 LEU 0.159 0.016 11 0 "[ . 1 . 2 ]"
1 85 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 86 PRO 0.489 0.031 13 0 "[ . 1 . 2 ]"
1 87 THR 7.245 0.539 3 7 "[ +**- *1 *.* 2 ]"
1 88 LEU 0.621 0.265 18 0 "[ . 1 . 2 ]"
1 89 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 90 PRO 0.015 0.015 12 0 "[ . 1 . 2 ]"
1 91 VAL 2.789 0.112 3 0 "[ . 1 . 2 ]"
1 92 VAL 2.774 0.112 3 0 "[ . 1 . 2 ]"
1 93 ILE 0.115 0.064 12 0 "[ . 1 . 2 ]"
1 94 GLY 0.115 0.064 12 0 "[ . 1 . 2 ]"
1 95 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 96 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 97 PHE 0.143 0.071 12 0 "[ . 1 . 2 ]"
1 98 ASP 0.143 0.071 12 0 "[ . 1 . 2 ]"
1 99 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 100 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 101 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 102 ARG 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 38 GLU H 1 38 GLU QG 0.000 . 4.800 4.066 4.065 4.072 . 0 0 "[ . 1 . 2 ]" 1
2 1 58 PHE H 1 58 PHE QB 0.000 . 3.500 2.773 2.198 3.175 . 0 0 "[ . 1 . 2 ]" 1
3 1 35 ILE H 1 35 ILE MG 0.000 . 3.500 2.142 2.042 2.270 . 0 0 "[ . 1 . 2 ]" 1
4 1 6 LEU H 1 6 LEU HB2 0.000 . 2.700 2.356 2.159 2.642 . 0 0 "[ . 1 . 2 ]" 1
5 1 4 ASP H 1 4 ASP QB 0.000 . 3.500 2.355 2.219 2.578 . 0 0 "[ . 1 . 2 ]" 1
6 1 41 GLN H 1 41 GLN QG 2.700 2.700 5.000 2.564 2.521 2.667 0.179 2 0 "[ . 1 . 2 ]" 1
7 1 83 TYR H 1 83 TYR HD2 3.000 3.000 3.500 2.996 2.994 2.999 0.006 21 0 "[ . 1 . 2 ]" 1
8 1 3 GLU H 1 3 GLU QB 0.000 . 3.500 2.415 2.255 2.713 . 0 0 "[ . 1 . 2 ]" 1
9 1 71 THR H 1 71 THR MG 0.000 . 4.800 3.887 3.826 3.917 . 0 0 "[ . 1 . 2 ]" 1
10 1 39 ASP H 1 39 ASP HB2 0.000 . 4.000 3.602 3.597 3.605 . 0 0 "[ . 1 . 2 ]" 1
11 1 65 LYS H 1 65 LYS QG 0.000 . 4.800 3.530 2.271 4.285 . 0 0 "[ . 1 . 2 ]" 1
12 1 69 ARG HA 1 69 ARG QD 2.700 2.700 7.700 3.902 2.379 4.174 0.321 15 0 "[ . 1 . 2 ]" 1
13 1 28 THR H 1 28 THR MG 0.000 . 3.500 2.279 2.192 2.317 . 0 0 "[ . 1 . 2 ]" 1
14 1 34 ALA H 1 34 ALA MB 0.000 . 3.500 2.603 2.570 2.626 . 0 0 "[ . 1 . 2 ]" 1
15 1 8 PHE H 1 8 PHE HD2 3.200 3.200 8.200 4.549 4.345 4.879 . 0 0 "[ . 1 . 2 ]" 1
16 1 82 GLN H 1 82 GLN QG 0.000 . 4.800 3.931 3.923 4.022 . 0 0 "[ . 1 . 2 ]" 1
17 1 87 THR H 1 87 THR HB 0.000 . 4.000 3.779 3.572 3.807 . 0 0 "[ . 1 . 2 ]" 1
18 1 3 GLU H 1 3 GLU QG 0.000 . 4.000 2.737 2.387 3.421 . 0 0 "[ . 1 . 2 ]" 1
19 1 39 ASP H 1 39 ASP HB3 0.000 . 3.200 2.685 2.638 2.705 . 0 0 "[ . 1 . 2 ]" 1
20 1 67 GLN H 1 67 GLN HB3 0.000 . 3.200 2.949 2.510 3.400 0.200 20 0 "[ . 1 . 2 ]" 1
21 1 87 THR H 1 87 THR MG 0.000 . 4.800 2.972 2.525 3.028 . 0 0 "[ . 1 . 2 ]" 1
22 1 6 LEU H 1 6 LEU HG 0.000 . 3.200 2.825 2.331 3.290 0.090 18 0 "[ . 1 . 2 ]" 1
23 1 68 LEU H 1 68 LEU HG 0.000 . 4.500 4.508 4.416 4.533 0.033 1 0 "[ . 1 . 2 ]" 1
24 1 40 ASP H 1 40 ASP QB 0.000 . 3.500 2.386 2.172 2.469 . 0 0 "[ . 1 . 2 ]" 1
25 1 22 ILE H 1 22 ILE MG 0.000 . 4.800 3.858 3.842 3.872 . 0 0 "[ . 1 . 2 ]" 1
26 1 22 ILE H 1 22 ILE HB 0.000 . 3.200 2.591 2.555 2.620 . 0 0 "[ . 1 . 2 ]" 1
27 1 53 TYR H 1 53 TYR QB 0.000 . 3.500 2.255 2.165 2.485 . 0 0 "[ . 1 . 2 ]" 1
28 1 62 ASP H 1 62 ASP QB 0.000 . 3.500 2.630 2.220 3.132 . 0 0 "[ . 1 . 2 ]" 1
29 1 67 GLN H 1 67 GLN HB2 0.000 . 3.200 2.451 2.007 2.945 . 0 0 "[ . 1 . 2 ]" 1
30 1 36 ILE H 1 36 ILE MG 0.000 . 3.500 2.135 2.017 2.236 . 0 0 "[ . 1 . 2 ]" 1
31 1 51 MET H 1 51 MET QG 2.700 2.700 4.800 3.999 3.963 4.106 . 0 0 "[ . 1 . 2 ]" 1
32 1 10 LYS H 1 10 LYS QG 0.000 . 4.800 3.981 3.953 4.043 . 0 0 "[ . 1 . 2 ]" 1
33 1 44 THR H 1 44 THR MG 0.000 . 4.800 2.654 2.606 2.869 . 0 0 "[ . 1 . 2 ]" 1
34 1 22 ILE H 1 22 ILE QG 0.000 . 4.800 2.736 2.707 2.779 . 0 0 "[ . 1 . 2 ]" 1
35 1 71 THR H 1 71 THR HB 0.000 . 3.200 2.699 2.594 2.762 . 0 0 "[ . 1 . 2 ]" 1
36 1 68 LEU H 1 68 LEU QB 0.000 . 3.500 2.286 2.042 2.701 . 0 0 "[ . 1 . 2 ]" 1
37 1 61 LYS H 1 61 LYS QG 0.000 . 4.800 2.492 1.982 4.170 . 0 0 "[ . 1 . 2 ]" 1
38 1 22 ILE H 1 22 ILE MD 0.000 . 4.800 3.754 3.694 3.782 . 0 0 "[ . 1 . 2 ]" 1
39 1 50 CYS H 1 50 CYS HA 2.700 2.700 4.000 2.980 2.976 3.006 . 0 0 "[ . 1 . 2 ]" 1
40 1 69 ARG H 1 69 ARG QB 0.000 . 3.500 2.294 2.166 2.333 . 0 0 "[ . 1 . 2 ]" 1
41 1 20 ASP H 1 20 ASP HB3 0.000 . 2.700 2.709 2.704 2.738 0.038 1 0 "[ . 1 . 2 ]" 1
42 1 63 SER H 1 63 SER QB 0.000 . 3.500 2.369 2.077 2.680 . 0 0 "[ . 1 . 2 ]" 1
43 1 72 ILE H 1 72 ILE MG 0.000 . 4.000 2.091 2.051 2.163 . 0 0 "[ . 1 . 2 ]" 1
44 1 66 ALA H 1 66 ALA MB 0.000 . 3.500 2.393 2.062 2.698 . 0 0 "[ . 1 . 2 ]" 1
45 1 79 LEU H 1 79 LEU HA 0.000 . 2.700 2.343 2.341 2.344 . 0 0 "[ . 1 . 2 ]" 1
46 1 101 ILE H 1 101 ILE HB 0.000 . 3.200 2.409 2.369 2.428 . 0 0 "[ . 1 . 2 ]" 1
47 1 59 GLN H 1 59 GLN HB2 0.000 . 3.200 2.420 2.090 2.756 . 0 0 "[ . 1 . 2 ]" 1
48 1 101 ILE H 1 101 ILE QG 0.000 . 4.800 2.274 2.178 2.300 . 0 0 "[ . 1 . 2 ]" 1
49 1 25 THR H 1 25 THR HB 0.000 . 4.000 3.814 3.791 3.828 . 0 0 "[ . 1 . 2 ]" 1
50 1 27 ILE H 1 27 ILE HA 2.700 2.700 4.000 3.000 2.996 3.007 . 0 0 "[ . 1 . 2 ]" 1
51 1 23 ASN H 1 23 ASN HA 0.000 . 2.700 2.350 2.347 2.353 . 0 0 "[ . 1 . 2 ]" 1
52 1 12 TYR H 1 12 TYR HB2 0.000 . 3.200 2.532 2.444 2.633 . 0 0 "[ . 1 . 2 ]" 1
53 1 12 TYR H 1 12 TYR HB3 0.000 . 3.200 2.424 2.348 2.506 . 0 0 "[ . 1 . 2 ]" 1
54 1 70 ARG H 1 70 ARG QD 0.000 . 5.800 4.376 3.757 5.191 . 0 0 "[ . 1 . 2 ]" 1
55 1 57 ASP H 1 57 ASP QB 0.000 . 3.500 2.347 2.155 2.556 . 0 0 "[ . 1 . 2 ]" 1
56 1 51 MET H 1 51 MET HB2 0.000 . 3.200 2.599 2.407 2.798 . 0 0 "[ . 1 . 2 ]" 1
57 1 82 GLN H 1 82 GLN HB3 0.000 . 2.700 2.607 2.553 2.618 . 0 0 "[ . 1 . 2 ]" 1
58 1 70 ARG H 1 70 ARG QG 2.700 2.700 4.800 2.563 2.345 4.172 0.355 12 0 "[ . 1 . 2 ]" 1
59 1 59 GLN H 1 59 GLN HB3 0.000 . 4.000 3.623 3.447 3.838 . 0 0 "[ . 1 . 2 ]" 1
60 1 52 LYS H 1 52 LYS QE 5.000 5.000 7.700 4.478 4.380 4.680 0.620 21 15 "[ -***** * ** ** ***+]" 1
61 1 85 GLN H 1 85 GLN HB3 0.000 . 4.000 2.569 2.495 2.688 . 0 0 "[ . 1 . 2 ]" 1
62 1 43 GLU H 1 43 GLU QG 0.000 . 4.000 2.511 2.497 2.521 . 0 0 "[ . 1 . 2 ]" 1
63 1 72 ILE H 1 72 ILE HB 0.000 . 3.200 3.220 3.213 3.226 0.026 13 0 "[ . 1 . 2 ]" 1
64 1 44 THR H 1 44 THR HB 0.000 . 4.000 3.549 3.537 3.659 . 0 0 "[ . 1 . 2 ]" 1
65 1 82 GLN H 1 82 GLN HB2 0.000 . 2.700 2.337 2.330 2.374 . 0 0 "[ . 1 . 2 ]" 1
66 1 32 CYS H 1 32 CYS HB2 2.500 2.500 7.500 2.437 2.359 2.458 0.141 1 0 "[ . 1 . 2 ]" 1
67 1 76 ARG H 1 76 ARG HE 5.000 5.000 10.000 5.837 4.987 6.894 0.013 21 0 "[ . 1 . 2 ]" 1
68 1 76 ARG H 1 76 ARG HG2 2.700 2.700 7.700 4.418 3.703 4.562 . 0 0 "[ . 1 . 2 ]" 1
69 1 43 GLU H 1 43 GLU QB 0.000 . 3.500 2.269 2.268 2.271 . 0 0 "[ . 1 . 2 ]" 1
70 1 59 GLN H 1 59 GLN QG 0.000 . 4.000 2.665 2.217 3.515 . 0 0 "[ . 1 . 2 ]" 1
71 1 8 PHE H 1 8 PHE HD1 2.700 2.700 3.500 2.875 2.626 3.111 0.074 7 0 "[ . 1 . 2 ]" 1
72 1 25 THR H 1 25 THR MG 0.000 . 4.000 2.960 2.899 3.067 . 0 0 "[ . 1 . 2 ]" 1
73 1 73 GLU H 1 73 GLU QG 0.000 . 4.800 3.105 2.620 3.353 . 0 0 "[ . 1 . 2 ]" 1
74 1 51 MET H 1 51 MET HB3 0.000 . 4.000 2.572 2.497 2.723 . 0 0 "[ . 1 . 2 ]" 1
75 1 29 ASN H 1 29 ASN HB2 0.000 . 4.000 3.673 3.646 3.686 . 0 0 "[ . 1 . 2 ]" 1
76 1 61 LYS H 1 61 LYS QB 0.000 . 3.500 2.324 2.102 2.723 . 0 0 "[ . 1 . 2 ]" 1
77 1 29 ASN H 1 29 ASN QD 3.500 3.500 8.500 3.641 3.104 3.895 0.396 8 0 "[ . 1 . 2 ]" 1
78 1 54 GLU H 1 54 GLU QG 0.000 . 4.000 2.994 2.291 3.453 . 0 0 "[ . 1 . 2 ]" 1
79 1 76 ARG H 1 76 ARG HG3 2.700 2.700 7.700 4.325 2.776 4.601 . 0 0 "[ . 1 . 2 ]" 1
80 1 76 ARG H 1 76 ARG QD 4.000 4.000 9.000 4.529 4.208 4.697 . 0 0 "[ . 1 . 2 ]" 1
81 1 80 CYS H 1 80 CYS HB3 0.000 . 2.700 2.544 2.374 2.564 . 0 0 "[ . 1 . 2 ]" 1
82 1 29 ASN H 1 29 ASN HB3 0.000 . 4.000 2.916 2.835 2.962 . 0 0 "[ . 1 . 2 ]" 1
83 1 19 ASP H 1 19 ASP QB 0.000 . 3.500 2.323 2.170 2.447 . 0 0 "[ . 1 . 2 ]" 1
84 1 72 ILE H 1 72 ILE MD 0.000 . 5.800 4.706 4.699 4.711 . 0 0 "[ . 1 . 2 ]" 1
85 1 67 GLN H 1 67 GLN QG 0.000 . 4.800 3.877 3.144 4.237 . 0 0 "[ . 1 . 2 ]" 1
86 1 88 LEU H 1 88 LEU HB2 0.000 . 2.700 2.186 2.150 2.309 . 0 0 "[ . 1 . 2 ]" 1
87 1 88 LEU H 1 88 LEU MD1 0.000 . 4.000 3.309 3.212 3.333 . 0 0 "[ . 1 . 2 ]" 1
88 1 33 PHE H 1 33 PHE QD 2.700 2.700 5.900 2.627 2.592 2.652 0.108 13 0 "[ . 1 . 2 ]" 1
89 1 42 GLY H 1 42 GLY HA2 0.000 . 2.700 2.384 2.379 2.389 . 0 0 "[ . 1 . 2 ]" 1
90 1 62 ASP QB 1 63 SER H 0.000 . 4.000 3.293 2.598 3.627 . 0 0 "[ . 1 . 2 ]" 1
91 1 85 GLN HA 1 86 PRO HD2 0.000 . 2.700 2.189 2.121 2.602 . 0 0 "[ . 1 . 2 ]" 1
92 1 53 TYR HA 1 54 GLU H 0.000 . 2.700 2.261 2.193 2.303 . 0 0 "[ . 1 . 2 ]" 1
93 1 38 GLU QG 1 39 ASP H 2.700 2.700 6.700 3.122 3.098 3.154 . 0 0 "[ . 1 . 2 ]" 1
94 1 71 THR HB 1 72 ILE H 0.000 . 5.000 3.832 3.781 3.863 . 0 0 "[ . 1 . 2 ]" 1
95 1 41 GLN H 1 42 GLY H 0.000 . 2.700 2.394 2.385 2.403 . 0 0 "[ . 1 . 2 ]" 1
96 1 73 GLU HA 1 74 CYS H 0.000 . 2.700 2.290 2.198 2.342 . 0 0 "[ . 1 . 2 ]" 1
97 1 33 PHE HA 1 34 ALA H 0.000 . 2.700 2.285 2.242 2.338 . 0 0 "[ . 1 . 2 ]" 1
98 1 81 ASN H 1 82 GLN H 0.000 . 2.700 2.440 2.314 2.604 . 0 0 "[ . 1 . 2 ]" 1
99 1 73 GLU HB3 1 74 CYS H 0.000 . 4.000 2.982 2.796 3.623 . 0 0 "[ . 1 . 2 ]" 1
100 1 49 GLY QA 1 50 CYS H 0.000 . 3.500 2.281 2.265 2.310 . 0 0 "[ . 1 . 2 ]" 1
101 1 27 ILE HA 1 28 THR H 0.000 . 2.700 2.231 2.215 2.238 . 0 0 "[ . 1 . 2 ]" 1
102 1 86 PRO HA 1 87 THR H 0.000 . 2.700 2.251 2.220 2.302 . 0 0 "[ . 1 . 2 ]" 1
103 1 7 PRO HB3 1 8 PHE H 0.000 . 4.000 3.689 3.300 3.958 . 0 0 "[ . 1 . 2 ]" 1
104 1 18 PRO HB2 1 19 ASP H 0.000 . 4.000 3.047 2.979 3.429 . 0 0 "[ . 1 . 2 ]" 1
105 1 91 VAL HB 1 92 VAL H 0.000 . 3.500 3.509 2.600 3.612 0.112 3 0 "[ . 1 . 2 ]" 1
106 1 66 ALA HA 1 67 GLN H 0.000 . 2.700 2.495 2.188 2.774 0.074 14 0 "[ . 1 . 2 ]" 1
107 1 40 ASP HA 1 41 GLN H 2.700 2.700 3.500 3.483 3.477 3.489 . 0 0 "[ . 1 . 2 ]" 1
108 1 87 THR HB 1 88 LEU H 0.000 . 4.000 3.049 2.945 3.548 . 0 0 "[ . 1 . 2 ]" 1
109 1 82 GLN HB3 1 83 TYR H 2.200 2.200 2.700 2.545 2.490 2.580 . 0 0 "[ . 1 . 2 ]" 1
110 1 79 LEU QB 1 80 CYS H 0.000 . 4.800 3.726 3.710 3.738 . 0 0 "[ . 1 . 2 ]" 1
111 1 52 LYS HA 1 53 TYR H 0.000 . 2.700 2.447 2.331 2.524 . 0 0 "[ . 1 . 2 ]" 1
112 1 32 CYS HB3 1 33 PHE H 0.000 . 3.200 3.179 3.113 3.203 0.003 11 0 "[ . 1 . 2 ]" 1
113 1 70 ARG QG 1 71 THR H 2.700 2.700 4.000 3.522 2.525 3.648 0.175 18 0 "[ . 1 . 2 ]" 1
114 1 86 PRO HB2 1 87 THR H 0.000 . 4.000 3.371 3.133 3.696 . 0 0 "[ . 1 . 2 ]" 1
115 1 10 LYS QD 1 11 CYS H 3.200 3.200 8.200 4.740 3.346 5.094 . 0 0 "[ . 1 . 2 ]" 1
116 1 43 GLU HA 1 44 THR H 0.000 . 2.700 2.263 2.242 2.279 . 0 0 "[ . 1 . 2 ]" 1
117 1 42 GLY H 1 43 GLU QB 0.000 . 5.800 4.346 4.318 4.381 . 0 0 "[ . 1 . 2 ]" 1
118 1 71 THR HA 1 72 ILE H 0.000 . 2.700 2.318 2.293 2.345 . 0 0 "[ . 1 . 2 ]" 1
119 1 50 CYS HB3 1 51 MET H 0.000 . 4.000 3.465 3.425 3.712 . 0 0 "[ . 1 . 2 ]" 1
120 1 26 CYS HA 1 27 ILE H 0.000 . 2.700 2.434 2.388 2.508 . 0 0 "[ . 1 . 2 ]" 1
121 1 2 PRO HA 1 3 GLU H 0.000 . 2.700 2.209 2.206 2.212 . 0 0 "[ . 1 . 2 ]" 1
122 1 6 LEU H 1 7 PRO HD3 0.000 . 5.000 4.620 4.201 4.823 . 0 0 "[ . 1 . 2 ]" 1
123 1 71 THR MG 1 72 ILE H 0.000 . 4.000 2.215 2.030 2.360 . 0 0 "[ . 1 . 2 ]" 1
124 1 68 LEU H 1 69 ARG H 0.000 . 5.000 4.577 4.355 4.704 . 0 0 "[ . 1 . 2 ]" 1
125 1 48 SER HB2 1 49 GLY H 0.000 . 3.200 2.599 2.559 2.646 . 0 0 "[ . 1 . 2 ]" 1
126 1 59 GLN QB 1 60 CYS H 0.000 . 4.800 3.839 3.509 3.949 . 0 0 "[ . 1 . 2 ]" 1
127 1 20 ASP H 1 21 ALA H 0.000 . 4.000 2.763 2.708 2.774 . 0 0 "[ . 1 . 2 ]" 1
128 1 101 ILE MG 1 102 ARG H 0.000 . 5.800 2.653 2.502 2.789 . 0 0 "[ . 1 . 2 ]" 1
129 1 26 CYS H 1 27 ILE H 0.000 . 5.000 4.468 4.453 4.529 . 0 0 "[ . 1 . 2 ]" 1
130 1 9 LEU HB2 1 10 LYS H 0.000 . 4.500 4.530 4.507 4.594 0.094 1 0 "[ . 1 . 2 ]" 1
131 1 79 LEU H 1 80 CYS H 0.000 . 3.200 2.863 2.848 2.895 . 0 0 "[ . 1 . 2 ]" 1
132 1 31 HIS HB3 1 32 CYS H 0.000 . 3.200 2.600 2.552 2.812 . 0 0 "[ . 1 . 2 ]" 1
133 1 68 LEU QB 1 69 ARG H 0.000 . 4.000 3.254 2.907 3.596 . 0 0 "[ . 1 . 2 ]" 1
134 1 83 TYR H 1 84 LEU H 0.000 . 2.700 2.679 2.654 2.690 . 0 0 "[ . 1 . 2 ]" 1
135 1 74 CYS QB 1 75 CYS H 0.000 . 4.000 2.913 2.624 3.120 . 0 0 "[ . 1 . 2 ]" 1
136 1 78 ASN HA 1 79 LEU H 0.000 . 2.700 2.173 2.163 2.218 . 0 0 "[ . 1 . 2 ]" 1
137 1 59 GLN HA 1 60 CYS H 0.000 . 2.700 2.417 2.190 2.748 0.048 20 0 "[ . 1 . 2 ]" 1
138 1 77 THR HB 1 78 ASN H 2.800 2.800 3.200 2.789 2.766 2.953 0.034 15 0 "[ . 1 . 2 ]" 1
139 1 68 LEU QD 1 69 ARG H 0.000 . 6.500 2.748 2.216 2.957 . 0 0 "[ . 1 . 2 ]" 1
140 1 63 SER H 1 64 PRO HD3 0.000 . 5.000 5.076 4.680 5.265 0.265 11 0 "[ . 1 . 2 ]" 1
141 1 8 PHE HD2 1 9 LEU HB2 3.200 3.200 5.000 4.045 3.880 4.394 . 0 0 "[ . 1 . 2 ]" 1
142 1 62 ASP H 1 63 SER HA 0.000 . 5.000 4.923 4.480 5.113 0.113 16 0 "[ . 1 . 2 ]" 1
143 1 76 ARG HA 1 77 THR H 0.000 . 2.700 2.787 2.746 2.822 0.122 14 0 "[ . 1 . 2 ]" 1
144 1 41 GLN HB2 1 42 GLY H 0.000 . 5.000 3.265 3.233 3.313 . 0 0 "[ . 1 . 2 ]" 1
145 1 67 GLN QG 1 68 LEU H 0.000 . 5.800 2.999 1.806 4.453 . 0 0 "[ . 1 . 2 ]" 1
146 1 61 LYS QD 1 62 ASP H 0.000 . 5.800 4.121 2.427 5.129 . 0 0 "[ . 1 . 2 ]" 1
147 1 81 ASN HA 1 82 GLN H 0.000 . 3.500 3.510 3.499 3.532 0.032 13 0 "[ . 1 . 2 ]" 1
148 1 25 THR HB 1 26 CYS H 0.000 . 4.000 2.668 2.599 2.947 . 0 0 "[ . 1 . 2 ]" 1
149 1 10 LYS HA 1 11 CYS H 0.000 . 2.700 2.222 2.210 2.233 . 0 0 "[ . 1 . 2 ]" 1
150 1 45 THR MG 1 46 LEU H 0.000 . 4.800 4.021 3.999 4.029 . 0 0 "[ . 1 . 2 ]" 1
151 1 41 GLN QG 1 42 GLY H 0.000 . 5.800 4.357 4.324 4.418 . 0 0 "[ . 1 . 2 ]" 1
152 1 57 ASP HA 1 58 PHE H 2.700 2.700 7.700 3.559 3.534 3.578 . 0 0 "[ . 1 . 2 ]" 1
153 1 41 GLN H 1 42 GLY QA 0.000 . 5.800 4.386 4.378 4.395 . 0 0 "[ . 1 . 2 ]" 1
154 1 26 CYS HB2 1 27 ILE H 0.000 . 3.200 2.546 2.430 2.652 . 0 0 "[ . 1 . 2 ]" 1
155 1 70 ARG HA 1 71 THR H 0.000 . 2.700 2.388 2.245 2.423 . 0 0 "[ . 1 . 2 ]" 1
156 1 48 SER HA 1 49 GLY H 0.000 . 2.700 2.458 2.441 2.468 . 0 0 "[ . 1 . 2 ]" 1
157 1 3 GLU H 1 4 ASP H 0.000 . 3.200 3.299 3.226 3.340 0.140 9 0 "[ . 1 . 2 ]" 1
158 1 93 ILE HA 1 94 GLY H 0.000 . 2.700 2.324 2.192 2.764 0.064 12 0 "[ . 1 . 2 ]" 1
159 1 18 PRO HA 1 19 ASP H 0.000 . 2.700 2.340 2.300 2.374 . 0 0 "[ . 1 . 2 ]" 1
160 1 65 LYS H 1 66 ALA H 0.000 . 4.000 2.484 2.181 2.816 . 0 0 "[ . 1 . 2 ]" 1
161 1 20 ASP H 1 21 ALA MB 0.000 . 4.800 4.038 3.962 4.050 . 0 0 "[ . 1 . 2 ]" 1
162 1 51 MET QG 1 52 LYS H 0.000 . 4.800 2.986 2.770 3.081 . 0 0 "[ . 1 . 2 ]" 1
163 1 77 THR HA 1 78 ASN H 0.000 . 2.300 2.378 2.312 2.391 0.091 15 0 "[ . 1 . 2 ]" 1
164 1 59 GLN H 1 60 CYS H 0.000 . 4.000 3.833 2.513 4.042 0.042 18 0 "[ . 1 . 2 ]" 1
165 1 50 CYS HA 1 51 MET H 0.000 . 2.700 2.217 2.211 2.229 . 0 0 "[ . 1 . 2 ]" 1
166 1 57 ASP QB 1 58 PHE H 0.000 . 4.800 2.783 2.371 3.423 . 0 0 "[ . 1 . 2 ]" 1
167 1 82 GLN H 1 83 TYR H 0.000 . 3.200 2.742 2.721 2.764 . 0 0 "[ . 1 . 2 ]" 1
168 1 34 ALA MB 1 35 ILE H 0.000 . 4.000 2.911 2.761 3.009 . 0 0 "[ . 1 . 2 ]" 1
169 1 92 VAL HA 1 93 ILE H 0.000 . 2.700 2.247 2.200 2.453 . 0 0 "[ . 1 . 2 ]" 1
170 1 45 THR HB 1 46 LEU H 0.000 . 4.000 3.725 3.579 3.767 . 0 0 "[ . 1 . 2 ]" 1
171 1 44 THR HA 1 45 THR H 0.000 . 2.700 2.200 2.171 2.205 . 0 0 "[ . 1 . 2 ]" 1
172 1 32 CYS HA 1 33 PHE H 0.000 . 2.700 2.282 2.263 2.307 . 0 0 "[ . 1 . 2 ]" 1
173 1 38 GLU HB2 1 39 ASP H 0.000 . 4.500 4.463 4.453 4.474 . 0 0 "[ . 1 . 2 ]" 1
174 1 36 ILE HA 1 37 GLU H 0.000 . 2.700 2.322 2.186 2.342 . 0 0 "[ . 1 . 2 ]" 1
175 1 72 ILE HA 1 73 GLU H 0.000 . 2.700 2.329 2.184 2.364 . 0 0 "[ . 1 . 2 ]" 1
176 1 52 LYS QD 1 53 TYR H 0.000 . 4.800 4.233 3.740 4.323 . 0 0 "[ . 1 . 2 ]" 1
177 1 67 GLN H 1 68 LEU H 3.200 3.200 5.000 4.057 3.138 4.518 0.062 1 0 "[ . 1 . 2 ]" 1
178 1 45 THR HA 1 46 LEU H 0.000 . 2.700 2.204 2.199 2.209 . 0 0 "[ . 1 . 2 ]" 1
179 1 76 ARG QG 1 77 THR H 4.000 4.000 7.000 4.301 4.226 4.468 . 0 0 "[ . 1 . 2 ]" 1
180 1 52 LYS QB 1 53 TYR H 0.000 . 4.000 2.516 2.339 2.769 . 0 0 "[ . 1 . 2 ]" 1
181 1 11 CYS QB 1 12 TYR H 0.000 . 4.000 3.091 3.070 3.105 . 0 0 "[ . 1 . 2 ]" 1
182 1 13 CYS QB 1 14 SER H 0.000 . 4.000 3.137 2.821 3.177 . 0 0 "[ . 1 . 2 ]" 1
183 1 97 PHE HA 1 98 ASP H 0.000 . 2.700 2.389 2.186 2.771 0.071 12 0 "[ . 1 . 2 ]" 1
184 1 76 ARG QB 1 77 THR H 0.000 . 4.800 3.907 3.867 3.947 . 0 0 "[ . 1 . 2 ]" 1
185 1 10 LYS QB 1 11 CYS H 0.000 . 4.800 3.778 3.728 3.897 . 0 0 "[ . 1 . 2 ]" 1
186 1 76 ARG H 1 77 THR H 0.000 . 3.200 3.124 3.005 3.203 0.003 3 0 "[ . 1 . 2 ]" 1
187 1 90 PRO HA 1 91 VAL H 0.000 . 2.700 2.291 2.198 2.475 . 0 0 "[ . 1 . 2 ]" 1
188 1 67 GLN HB3 1 68 LEU H 0.000 . 5.000 3.129 2.041 4.450 . 0 0 "[ . 1 . 2 ]" 1
189 1 62 ASP HA 1 63 SER H 0.000 . 2.700 2.246 2.176 2.732 0.032 16 0 "[ . 1 . 2 ]" 1
190 1 58 PHE H 1 59 GLN HA 0.000 . 5.000 4.511 4.178 5.079 0.079 17 0 "[ . 1 . 2 ]" 1
191 1 53 TYR QD 1 54 GLU H 0.000 . 4.800 3.568 3.255 4.276 . 0 0 "[ . 1 . 2 ]" 1
192 1 76 ARG H 1 77 THR MG 0.000 . 5.000 3.255 3.054 3.342 . 0 0 "[ . 1 . 2 ]" 1
193 1 53 TYR QB 1 54 GLU H 0.000 . 4.000 3.502 3.068 3.668 . 0 0 "[ . 1 . 2 ]" 1
194 1 33 PHE QD 1 34 ALA H 0.000 . 4.000 3.431 3.222 3.614 . 0 0 "[ . 1 . 2 ]" 1
195 1 3 GLU QB 1 4 ASP H 0.000 . 5.800 3.898 3.889 3.914 . 0 0 "[ . 1 . 2 ]" 1
196 1 80 CYS H 1 81 ASN H 0.000 . 3.200 2.731 2.658 2.753 . 0 0 "[ . 1 . 2 ]" 1
197 1 61 LYS QB 1 62 ASP H 0.000 . 4.800 2.368 2.023 3.557 . 0 0 "[ . 1 . 2 ]" 1
198 1 95 PRO HA 1 96 PHE H 0.000 . 2.700 2.316 2.219 2.617 . 0 0 "[ . 1 . 2 ]" 1
199 1 78 ASN H 1 79 LEU H 0.000 . 5.000 4.630 4.621 4.666 . 0 0 "[ . 1 . 2 ]" 1
200 1 5 THR H 1 6 LEU H 3.200 3.200 4.100 3.956 3.190 4.159 0.059 8 0 "[ . 1 . 2 ]" 1
201 1 36 ILE HB 1 37 GLU H 0.000 . 4.500 4.132 4.108 4.420 . 0 0 "[ . 1 . 2 ]" 1
202 1 25 THR HA 1 26 CYS H 0.000 . 2.700 2.391 2.296 2.419 . 0 0 "[ . 1 . 2 ]" 1
203 1 61 LYS H 1 62 ASP H 0.000 . 5.000 4.562 4.364 4.659 . 0 0 "[ . 1 . 2 ]" 1
204 1 42 GLY H 1 43 GLU H 0.000 . 2.700 2.386 2.362 2.424 . 0 0 "[ . 1 . 2 ]" 1
205 1 9 LEU HG 1 10 LYS H 0.000 . 4.000 3.347 3.261 3.711 . 0 0 "[ . 1 . 2 ]" 1
206 1 8 PHE H 1 9 LEU H 2.700 2.700 7.700 2.633 2.604 2.652 0.096 9 0 "[ . 1 . 2 ]" 1
207 1 16 HIS HA 1 17 CYS H 0.000 . 2.700 2.202 2.196 2.221 . 0 0 "[ . 1 . 2 ]" 1
208 1 79 LEU HA 1 80 CYS H 0.000 . 3.200 3.070 3.056 3.121 . 0 0 "[ . 1 . 2 ]" 1
209 1 67 GLN HB2 1 68 LEU H 0.000 . 5.000 4.036 3.541 4.674 . 0 0 "[ . 1 . 2 ]" 1
210 1 4 ASP QB 1 5 THR H 0.000 . 4.800 3.969 3.862 4.057 . 0 0 "[ . 1 . 2 ]" 1
211 1 52 LYS QE 1 53 TYR H 0.000 . 5.800 5.105 4.642 5.173 . 0 0 "[ . 1 . 2 ]" 1
212 1 65 LYS HA 1 66 ALA H 0.000 . 2.700 2.759 2.597 2.894 0.194 18 0 "[ . 1 . 2 ]" 1
213 1 100 SER HA 1 101 ILE H 0.000 . 2.700 2.326 2.217 2.511 . 0 0 "[ . 1 . 2 ]" 1
214 1 96 PHE HA 1 97 PHE H 0.000 . 2.700 2.306 2.201 2.430 . 0 0 "[ . 1 . 2 ]" 1
215 1 35 ILE HA 1 36 ILE H 0.000 . 2.700 2.286 2.269 2.306 . 0 0 "[ . 1 . 2 ]" 1
216 1 29 ASN HA 1 30 GLY H 0.000 . 3.200 3.016 2.997 3.062 . 0 0 "[ . 1 . 2 ]" 1
217 1 66 ALA MB 1 67 GLN H 0.000 . 4.000 2.517 1.994 3.367 . 0 0 "[ . 1 . 2 ]" 1
218 1 74 CYS HA 1 75 CYS H 0.000 . 2.700 2.323 2.261 2.429 . 0 0 "[ . 1 . 2 ]" 1
219 1 87 THR HA 1 88 LEU H 0.000 . 2.700 2.276 2.201 2.302 . 0 0 "[ . 1 . 2 ]" 1
220 1 7 PRO HA 1 8 PHE H 0.000 . 2.700 2.260 2.246 2.296 . 0 0 "[ . 1 . 2 ]" 1
221 1 59 GLN QG 1 60 CYS H 0.000 . 5.800 4.392 4.046 4.722 . 0 0 "[ . 1 . 2 ]" 1
222 1 54 GLU H 1 55 GLY QA 0.000 . 5.800 3.911 3.795 4.271 . 0 0 "[ . 1 . 2 ]" 1
223 1 21 ALA MB 1 22 ILE H 0.000 . 4.000 2.553 2.520 2.584 . 0 0 "[ . 1 . 2 ]" 1
224 1 27 ILE MG 1 28 THR H 0.000 . 4.000 2.727 2.665 2.953 . 0 0 "[ . 1 . 2 ]" 1
225 1 65 LYS QG 1 66 ALA H 0.000 . 4.800 4.164 3.698 4.417 . 0 0 "[ . 1 . 2 ]" 1
226 1 72 ILE MD 1 73 GLU H 0.000 . 5.800 3.980 3.868 4.710 . 0 0 "[ . 1 . 2 ]" 1
227 1 51 MET H 1 52 LYS H 0.000 . 5.000 4.448 4.394 4.513 . 0 0 "[ . 1 . 2 ]" 1
228 1 95 PRO HB3 1 96 PHE H 0.000 . 5.000 3.277 2.649 4.153 . 0 0 "[ . 1 . 2 ]" 1
229 1 39 ASP HA 1 40 ASP H 0.000 . 2.700 2.579 2.568 2.584 . 0 0 "[ . 1 . 2 ]" 1
230 1 32 CYS HA 1 33 PHE QD 0.000 . 5.000 3.618 3.271 3.686 . 0 0 "[ . 1 . 2 ]" 1
231 1 10 LYS QG 1 11 CYS H 0.000 . 4.800 2.794 2.640 3.069 . 0 0 "[ . 1 . 2 ]" 1
232 1 50 CYS H 1 51 MET H 0.000 . 5.000 4.525 4.351 4.540 . 0 0 "[ . 1 . 2 ]" 1
233 1 12 TYR HA 1 13 CYS H 0.000 . 2.700 2.285 2.266 2.352 . 0 0 "[ . 1 . 2 ]" 1
234 1 55 GLY H 1 56 SER H 0.000 . 4.000 2.601 2.055 4.051 0.051 8 0 "[ . 1 . 2 ]" 1
235 1 35 ILE QG 1 36 ILE H 0.000 . 4.000 2.358 2.337 2.380 . 0 0 "[ . 1 . 2 ]" 1
236 1 84 LEU HA 1 85 GLN H 0.000 . 2.700 2.234 2.217 2.245 . 0 0 "[ . 1 . 2 ]" 1
237 1 101 ILE HA 1 102 ARG H 0.000 . 2.700 2.229 2.210 2.251 . 0 0 "[ . 1 . 2 ]" 1
238 1 23 ASN HA 1 24 ASN H 0.000 . 3.200 2.803 2.791 2.821 . 0 0 "[ . 1 . 2 ]" 1
239 1 99 GLY QA 1 100 SER H 0.000 . 3.500 2.548 2.267 2.782 . 0 0 "[ . 1 . 2 ]" 1
240 1 81 ASN HB3 1 82 GLN H 0.000 . 5.000 3.639 3.436 3.756 . 0 0 "[ . 1 . 2 ]" 1
241 1 46 LEU HA 1 47 ALA H 0.000 . 2.700 2.209 2.205 2.213 . 0 0 "[ . 1 . 2 ]" 1
242 1 52 LYS QG 1 53 TYR H 0.000 . 4.800 3.614 3.431 3.950 . 0 0 "[ . 1 . 2 ]" 1
243 1 8 PHE HA 1 9 LEU H 0.000 . 2.700 2.717 2.681 2.758 0.058 19 0 "[ . 1 . 2 ]" 1
244 1 86 PRO HB3 1 87 THR H 0.000 . 4.000 3.867 3.536 4.008 0.008 12 0 "[ . 1 . 2 ]" 1
245 1 90 PRO HB3 1 91 VAL H 0.000 . 4.000 3.682 2.973 4.015 0.015 12 0 "[ . 1 . 2 ]" 1
246 1 47 ALA HA 1 48 SER H 0.000 . 2.700 2.271 2.248 2.341 . 0 0 "[ . 1 . 2 ]" 1
247 1 92 VAL QG 1 93 ILE H 0.000 . 5.500 2.624 1.940 3.461 . 0 0 "[ . 1 . 2 ]" 1
248 1 27 ILE H 1 28 THR H 0.000 . 5.000 4.449 4.301 4.492 . 0 0 "[ . 1 . 2 ]" 1
249 1 41 GLN HA 1 42 GLY H 0.000 . 4.000 3.454 3.444 3.462 . 0 0 "[ . 1 . 2 ]" 1
250 1 43 GLU H 1 44 THR H 0.000 . 5.000 4.582 4.565 4.623 . 0 0 "[ . 1 . 2 ]" 1
251 1 65 LYS QB 1 66 ALA H 0.000 . 4.800 3.964 3.805 4.078 . 0 0 "[ . 1 . 2 ]" 1
252 1 28 THR HA 1 29 ASN H 0.000 . 2.700 2.294 2.275 2.326 . 0 0 "[ . 1 . 2 ]" 1
253 1 40 ASP H 1 41 GLN H 0.000 . 3.200 2.798 2.788 2.807 . 0 0 "[ . 1 . 2 ]" 1
254 1 21 ALA HA 1 22 ILE H 0.000 . 2.700 2.412 2.394 2.423 . 0 0 "[ . 1 . 2 ]" 1
255 1 55 GLY QA 1 56 SER H 0.000 . 3.500 2.692 2.189 2.792 . 0 0 "[ . 1 . 2 ]" 1
256 1 9 LEU HA 1 10 LYS H 0.000 . 2.700 2.217 2.208 2.257 . 0 0 "[ . 1 . 2 ]" 1
257 1 42 GLY HA3 1 43 GLU H 0.000 . 4.000 3.470 3.455 3.476 . 0 0 "[ . 1 . 2 ]" 1
258 1 28 THR HB 1 29 ASN H 0.000 . 5.000 4.088 4.033 4.117 . 0 0 "[ . 1 . 2 ]" 1
259 1 100 SER QB 1 101 ILE H 0.000 . 4.800 3.086 2.388 4.020 . 0 0 "[ . 1 . 2 ]" 1
260 1 29 ASN H 1 30 GLY H 0.000 . 2.700 2.714 2.628 2.753 0.053 15 0 "[ . 1 . 2 ]" 1
261 1 29 ASN HB3 1 30 GLY H 0.000 . 5.000 4.601 4.586 4.617 . 0 0 "[ . 1 . 2 ]" 1
262 1 58 PHE H 1 59 GLN H 0.000 . 3.200 2.524 2.079 3.272 0.072 20 0 "[ . 1 . 2 ]" 1
263 1 64 PRO HD3 1 65 LYS H 0.000 . 5.000 4.818 4.720 4.930 . 0 0 "[ . 1 . 2 ]" 1
264 1 24 ASN HA 1 25 THR H 2.900 2.900 3.500 2.882 2.872 2.893 0.028 16 0 "[ . 1 . 2 ]" 1
265 1 43 GLU QB 1 44 THR H 0.000 . 4.000 3.059 2.914 3.151 . 0 0 "[ . 1 . 2 ]" 1
266 1 70 ARG QB 1 71 THR H 0.000 . 4.000 2.695 2.480 3.653 . 0 0 "[ . 1 . 2 ]" 1
267 1 38 GLU HA 1 39 ASP H 0.000 . 2.700 2.207 2.204 2.217 . 0 0 "[ . 1 . 2 ]" 1
268 1 56 SER QB 1 57 ASP H 0.000 . 4.000 3.459 3.279 3.601 . 0 0 "[ . 1 . 2 ]" 1
269 1 61 LYS QG 1 62 ASP H 0.000 . 5.800 3.776 1.992 4.484 . 0 0 "[ . 1 . 2 ]" 1
270 1 78 ASN HB3 1 79 LEU H 0.000 . 5.000 4.206 4.131 4.220 . 0 0 "[ . 1 . 2 ]" 1
271 1 4 ASP HA 1 5 THR H 0.000 . 2.700 2.411 2.340 2.597 . 0 0 "[ . 1 . 2 ]" 1
272 1 75 CYS QB 1 76 ARG H 0.000 . 4.000 3.122 2.924 3.258 . 0 0 "[ . 1 . 2 ]" 1
273 1 34 ALA HA 1 35 ILE H 0.000 . 2.700 2.288 2.263 2.341 . 0 0 "[ . 1 . 2 ]" 1
274 1 64 PRO HA 1 65 LYS H 0.000 . 2.700 2.710 2.621 2.777 0.077 10 0 "[ . 1 . 2 ]" 1
275 1 41 GLN HB3 1 42 GLY H 0.000 . 4.000 4.039 4.032 4.044 0.044 18 0 "[ . 1 . 2 ]" 1
276 1 40 ASP H 1 41 GLN QG 0.000 . 5.800 4.333 4.294 4.439 . 0 0 "[ . 1 . 2 ]" 1
277 1 73 GLU QG 1 74 CYS H 0.000 . 5.800 4.100 3.918 4.545 . 0 0 "[ . 1 . 2 ]" 1
278 1 67 GLN HA 1 68 LEU H 0.000 . 2.700 2.697 2.325 2.822 0.122 7 0 "[ . 1 . 2 ]" 1
279 1 95 PRO HB2 1 96 PHE H 0.000 . 5.000 3.659 2.907 4.311 . 0 0 "[ . 1 . 2 ]" 1
280 1 9 LEU QD 1 10 LYS H 0.000 . 4.000 3.147 3.068 3.313 . 0 0 "[ . 1 . 2 ]" 1
281 1 28 THR MG 1 29 ASN H 0.000 . 4.800 3.815 3.770 3.847 . 0 0 "[ . 1 . 2 ]" 1
282 1 93 ILE HB 1 94 GLY H 0.000 . 5.000 4.383 3.230 4.672 . 0 0 "[ . 1 . 2 ]" 1
283 1 10 LYS H 1 11 CYS H 0.000 . 5.000 4.517 4.419 4.551 . 0 0 "[ . 1 . 2 ]" 1
284 1 43 GLU QG 1 44 THR H 0.000 . 5.800 4.073 3.934 4.543 . 0 0 "[ . 1 . 2 ]" 1
285 1 61 LYS HA 1 62 ASP H 0.000 . 2.700 2.546 2.198 2.703 0.003 20 0 "[ . 1 . 2 ]" 1
286 1 11 CYS HA 1 12 TYR H 0.000 . 2.700 2.246 2.239 2.255 . 0 0 "[ . 1 . 2 ]" 1
287 1 56 SER HA 1 57 ASP H 0.000 . 3.200 2.358 2.189 3.387 0.187 20 0 "[ . 1 . 2 ]" 1
288 1 57 ASP H 1 58 PHE H 0.000 . 3.200 2.522 2.448 2.586 . 0 0 "[ . 1 . 2 ]" 1
289 1 19 ASP QB 1 20 ASP H 0.000 . 3.500 2.822 2.730 2.954 . 0 0 "[ . 1 . 2 ]" 1
290 1 19 ASP H 1 20 ASP H 2.700 2.700 4.000 2.746 2.735 2.784 . 0 0 "[ . 1 . 2 ]" 1
291 1 47 ALA MB 1 48 SER H 0.000 . 3.500 2.916 2.761 2.960 . 0 0 "[ . 1 . 2 ]" 1
292 1 60 CYS HA 1 61 LYS H 0.000 . 3.200 2.813 2.198 3.073 . 0 0 "[ . 1 . 2 ]" 1
293 1 8 PHE H 1 9 LEU QB 0.000 . 5.800 3.220 3.124 3.295 . 0 0 "[ . 1 . 2 ]" 1
294 1 13 CYS HA 1 14 SER H 0.000 . 2.700 2.223 2.212 2.312 . 0 0 "[ . 1 . 2 ]" 1
295 1 11 CYS H 1 12 TYR H 0.000 . 5.000 4.487 4.461 4.507 . 0 0 "[ . 1 . 2 ]" 1
296 1 60 CYS H 1 61 LYS H 0.000 . 4.000 2.856 2.048 4.042 0.042 19 0 "[ . 1 . 2 ]" 1
297 1 40 ASP H 1 41 GLN HB2 0.000 . 5.000 4.811 4.767 4.835 . 0 0 "[ . 1 . 2 ]" 1
298 1 78 ASN HB2 1 79 LEU H 0.000 . 4.000 3.283 3.124 3.314 . 0 0 "[ . 1 . 2 ]" 1
299 1 66 ALA H 1 67 GLN H 0.000 . 5.000 4.429 4.072 4.670 . 0 0 "[ . 1 . 2 ]" 1
300 1 37 GLU HB3 1 38 GLU H 0.000 . 3.200 3.083 2.956 3.237 0.037 18 0 "[ . 1 . 2 ]" 1
301 1 31 HIS HA 1 32 CYS H 0.000 . 2.700 2.450 2.348 2.479 . 0 0 "[ . 1 . 2 ]" 1
302 1 75 CYS HA 1 76 ARG H 0.000 . 2.700 2.208 2.178 2.276 . 0 0 "[ . 1 . 2 ]" 1
303 1 87 THR H 1 88 LEU H 0.000 . 5.000 4.414 4.320 4.467 . 0 0 "[ . 1 . 2 ]" 1
304 1 58 PHE QB 1 59 GLN H 0.000 . 4.800 3.831 2.981 4.052 . 0 0 "[ . 1 . 2 ]" 1
305 1 29 ASN HB2 1 30 GLY H 0.000 . 5.000 4.495 4.485 4.508 . 0 0 "[ . 1 . 2 ]" 1
306 1 84 LEU QB 1 85 GLN H 0.000 . 4.800 3.977 3.945 3.992 . 0 0 "[ . 1 . 2 ]" 1
307 1 39 ASP HB2 1 40 ASP H 0.000 . 2.700 2.298 2.287 2.327 . 0 0 "[ . 1 . 2 ]" 1
308 1 70 ARG H 1 71 THR H 0.000 . 5.000 4.383 4.270 4.408 . 0 0 "[ . 1 . 2 ]" 1
309 1 68 LEU HA 1 69 ARG H 0.000 . 2.700 2.466 2.260 2.660 . 0 0 "[ . 1 . 2 ]" 1
310 1 72 ILE QG 1 73 GLU H 0.000 . 4.000 2.264 2.150 3.038 . 0 0 "[ . 1 . 2 ]" 1
311 1 77 THR H 1 78 ASN H 3.200 3.200 8.200 4.451 4.412 4.473 . 0 0 "[ . 1 . 2 ]" 1
312 1 58 PHE HA 1 59 GLN H 0.000 . 3.200 2.873 2.394 3.460 0.260 17 0 "[ . 1 . 2 ]" 1
313 1 68 LEU HG 1 69 ARG H 0.000 . 3.200 2.086 1.923 2.842 . 0 0 "[ . 1 . 2 ]" 1
314 1 69 ARG HA 1 70 ARG H 0.000 . 2.700 2.230 2.197 2.345 . 0 0 "[ . 1 . 2 ]" 1
315 1 51 MET HA 1 52 LYS H 0.000 . 2.700 2.198 2.154 2.220 . 0 0 "[ . 1 . 2 ]" 1
316 1 97 PHE QB 1 98 ASP H 0.000 . 4.800 3.217 2.334 4.063 . 0 0 "[ . 1 . 2 ]" 1
317 1 28 THR H 1 29 ASN H 0.000 . 5.000 4.439 4.428 4.468 . 0 0 "[ . 1 . 2 ]" 1
318 1 36 ILE QG 1 37 GLU H 0.000 . 4.000 2.356 2.297 3.045 . 0 0 "[ . 1 . 2 ]" 1
319 1 29 ASN H 1 30 GLY QA 0.000 . 5.800 4.221 4.166 4.333 . 0 0 "[ . 1 . 2 ]" 1
320 1 33 PHE QB 1 34 ALA H 0.000 . 3.500 2.931 2.747 3.042 . 0 0 "[ . 1 . 2 ]" 1
321 1 5 THR HA 1 6 LEU H 0.000 . 2.700 2.303 2.194 2.734 0.034 17 0 "[ . 1 . 2 ]" 1
322 1 58 PHE QD 1 59 GLN H 0.000 . 5.800 4.666 3.706 4.973 . 0 0 "[ . 1 . 2 ]" 1
323 1 19 ASP HA 1 20 ASP H 2.700 2.700 7.700 3.517 3.502 3.530 . 0 0 "[ . 1 . 2 ]" 1
324 1 37 GLU HA 1 38 GLU H 0.000 . 2.700 2.266 2.223 2.301 . 0 0 "[ . 1 . 2 ]" 1
325 1 91 VAL HA 1 92 VAL H 2.500 2.500 7.500 2.562 2.450 3.557 0.050 12 0 "[ . 1 . 2 ]" 1
326 1 18 PRO HB3 1 19 ASP H 0.000 . 4.000 3.573 3.309 3.617 . 0 0 "[ . 1 . 2 ]" 1
327 1 64 PRO HB3 1 65 LYS H 0.000 . 5.000 4.699 4.687 4.709 . 0 0 "[ . 1 . 2 ]" 1
328 1 60 CYS QB 1 61 LYS H 0.000 . 5.800 3.822 3.714 4.034 . 0 0 "[ . 1 . 2 ]" 1
329 1 3 GLU HA 1 4 ASP H 0.000 . 2.700 2.661 2.408 2.792 0.092 21 0 "[ . 1 . 2 ]" 1
330 1 30 GLY QA 1 31 HIS H 0.000 . 3.500 2.216 2.153 2.240 . 0 0 "[ . 1 . 2 ]" 1
331 1 42 GLY HA2 1 43 GLU H 0.000 . 4.000 3.174 3.157 3.211 . 0 0 "[ . 1 . 2 ]" 1
332 1 40 ASP QB 1 41 GLN H 0.000 . 4.800 3.312 3.012 3.706 . 0 0 "[ . 1 . 2 ]" 1
333 1 30 GLY H 1 31 HIS HA 0.000 . 5.000 4.546 4.456 4.708 . 0 0 "[ . 1 . 2 ]" 1
334 1 22 ILE MG 1 23 ASN H 0.000 . 4.800 2.473 2.402 2.520 . 0 0 "[ . 1 . 2 ]" 1
335 1 24 ASN H 1 25 THR H 0.000 . 3.200 2.849 2.833 2.857 . 0 0 "[ . 1 . 2 ]" 1
336 1 46 LEU HB3 1 47 ALA H 0.000 . 4.000 3.525 3.408 3.640 . 0 0 "[ . 1 . 2 ]" 1
337 1 88 LEU HA 1 89 PRO HD3 0.000 . 2.700 2.293 2.032 2.606 . 0 0 "[ . 1 . 2 ]" 1
338 1 88 LEU HA 1 89 PRO HD2 0.000 . 3.200 2.606 2.127 3.031 . 0 0 "[ . 1 . 2 ]" 1
339 1 79 LEU H 1 81 ASN H 0.000 . 5.000 4.462 4.323 4.514 . 0 0 "[ . 1 . 2 ]" 1
340 1 28 THR HA 1 30 GLY H 0.000 . 3.800 3.833 3.809 3.860 0.060 15 0 "[ . 1 . 2 ]" 1
341 1 39 ASP HB2 1 41 GLN H 0.000 . 4.000 3.269 3.201 3.343 . 0 0 "[ . 1 . 2 ]" 1
342 1 56 SER QB 1 58 PHE H 0.000 . 5.800 3.858 3.415 5.276 . 0 0 "[ . 1 . 2 ]" 1
343 1 1 GLY QA 1 3 GLU H 0.000 . 5.800 5.181 5.178 5.185 . 0 0 "[ . 1 . 2 ]" 1
344 1 21 ALA MB 1 25 THR H 2.700 2.700 3.700 3.110 3.094 3.136 . 0 0 "[ . 1 . 2 ]" 1
345 1 61 LYS QB 1 63 SER H 0.000 . 5.800 5.056 4.544 5.332 . 0 0 "[ . 1 . 2 ]" 1
346 1 18 PRO HB2 1 20 ASP H 0.000 . 3.200 2.703 2.439 2.896 . 0 0 "[ . 1 . 2 ]" 1
347 1 38 GLU QG 1 42 GLY HA2 0.000 . 2.700 2.438 2.433 2.446 . 0 0 "[ . 1 . 2 ]" 1
348 1 40 ASP HA 1 42 GLY H 0.000 . 4.000 4.042 4.035 4.046 0.046 14 0 "[ . 1 . 2 ]" 1
349 1 28 THR HB 1 30 GLY H 0.000 . 5.000 4.037 3.892 4.080 . 0 0 "[ . 1 . 2 ]" 1
350 1 40 ASP H 1 42 GLY H 0.000 . 5.000 4.295 4.285 4.313 . 0 0 "[ . 1 . 2 ]" 1
351 1 84 LEU QD 1 86 PRO HD3 0.000 . 5.500 4.049 3.888 4.084 . 0 0 "[ . 1 . 2 ]" 1
352 1 82 GLN H 1 84 LEU H 0.000 . 5.000 4.087 4.001 4.236 . 0 0 "[ . 1 . 2 ]" 1
353 1 63 SER QB 1 66 ALA H 0.000 . 5.800 5.169 5.067 5.263 . 0 0 "[ . 1 . 2 ]" 1
354 1 39 ASP HB2 1 43 GLU H 0.000 . 5.000 4.883 4.791 4.958 . 0 0 "[ . 1 . 2 ]" 1
355 1 18 PRO HD2 1 21 ALA MB 0.000 . 3.200 2.495 1.995 2.680 . 0 0 "[ . 1 . 2 ]" 1
356 1 18 PRO HG2 1 21 ALA MB 0.000 . 4.800 2.095 2.019 3.107 . 0 0 "[ . 1 . 2 ]" 1
357 1 17 CYS QB 1 21 ALA MB 0.000 . 4.300 3.210 3.194 3.217 . 0 0 "[ . 1 . 2 ]" 1
358 1 41 GLN H 1 43 GLU H 0.000 . 4.000 3.702 3.667 3.731 . 0 0 "[ . 1 . 2 ]" 1
359 1 66 ALA MB 1 68 LEU H 4.000 4.000 9.000 4.719 3.301 5.747 0.699 18 6 "[- *. * 1 * . + * ]" 1
360 1 40 ASP QB 1 42 GLY H 0.000 . 5.800 4.895 4.752 5.074 . 0 0 "[ . 1 . 2 ]" 1
361 1 56 SER HA 1 59 GLN HB2 0.000 . 5.000 3.898 3.433 5.024 0.024 4 0 "[ . 1 . 2 ]" 1
362 1 3 GLU HA 1 5 THR H 0.000 . 5.000 4.613 4.045 4.891 . 0 0 "[ . 1 . 2 ]" 1
363 1 77 THR H 1 80 CYS HB3 3.200 3.200 4.000 3.220 3.158 4.032 0.042 16 0 "[ . 1 . 2 ]" 1
364 1 77 THR H 1 80 CYS H 0.000 . 5.000 4.267 4.162 4.874 . 0 0 "[ . 1 . 2 ]" 1
365 1 7 PRO HA 1 9 LEU H 4.000 4.000 5.000 4.150 3.944 4.503 0.056 8 0 "[ . 1 . 2 ]" 1
366 1 79 LEU HA 1 81 ASN H 0.000 . 3.200 3.254 3.217 3.293 0.093 1 0 "[ . 1 . 2 ]" 1
367 1 33 PHE QE 1 35 ILE MG 0.000 . 4.000 3.261 3.110 3.330 . 0 0 "[ . 1 . 2 ]" 1
368 1 56 SER HA 1 59 GLN H 0.000 . 5.000 4.287 3.663 5.024 0.024 15 0 "[ . 1 . 2 ]" 1
369 1 92 VAL QG 1 94 GLY H 0.000 . 5.500 3.684 2.572 4.150 . 0 0 "[ . 1 . 2 ]" 1
370 1 39 ASP H 1 42 GLY H 0.000 . 5.000 3.642 3.635 3.675 . 0 0 "[ . 1 . 2 ]" 1
371 1 39 ASP H 1 42 GLY QA 0.000 . 5.800 4.075 4.041 4.116 . 0 0 "[ . 1 . 2 ]" 1
372 1 75 CYS HA 1 77 THR H 0.000 . 4.500 4.306 4.084 4.515 0.015 15 0 "[ . 1 . 2 ]" 1
373 1 75 CYS HB2 1 77 THR H 3.200 3.200 4.000 3.283 3.112 3.493 0.088 19 0 "[ . 1 . 2 ]" 1
374 1 39 ASP HB3 1 42 GLY H 0.000 . 5.000 5.033 5.019 5.042 0.042 7 0 "[ . 1 . 2 ]" 1
375 1 63 SER H 1 66 ALA MB 0.000 . 5.800 4.634 3.997 4.884 . 0 0 "[ . 1 . 2 ]" 1
376 1 39 ASP H 1 43 GLU QB 0.000 . 5.000 4.062 3.908 4.171 . 0 0 "[ . 1 . 2 ]" 1
377 1 79 LEU HA 1 82 GLN H 0.000 . 5.000 3.195 2.981 3.480 . 0 0 "[ . 1 . 2 ]" 1
378 1 28 THR MG 1 31 HIS H 0.000 . 4.000 3.338 3.271 3.371 . 0 0 "[ . 1 . 2 ]" 1
379 1 22 ILE HA 1 25 THR H 0.000 . 4.500 4.579 4.567 4.591 0.091 8 0 "[ . 1 . 2 ]" 1
380 1 22 ILE H 1 26 CYS HA 4.000 4.000 5.000 3.999 3.956 4.089 0.044 6 0 "[ . 1 . 2 ]" 1
381 1 84 LEU HG 1 86 PRO HD3 0.000 . 4.000 4.006 3.978 4.016 0.016 11 0 "[ . 1 . 2 ]" 1
382 1 39 ASP HB3 1 43 GLU H 0.000 . 5.000 4.814 4.722 4.882 . 0 0 "[ . 1 . 2 ]" 1
383 1 18 PRO QG 1 20 ASP H 0.000 . 4.800 4.023 3.894 4.368 . 0 0 "[ . 1 . 2 ]" 1
384 1 3 GLU HB2 1 5 THR H 0.000 . 5.000 4.987 4.766 5.048 0.048 18 0 "[ . 1 . 2 ]" 1
385 1 81 ASN HA 1 84 LEU QB 0.000 . 4.000 2.198 1.971 2.683 . 0 0 "[ . 1 . 2 ]" 1
386 1 78 ASN HA 1 80 CYS H 0.000 . 3.400 3.632 3.560 3.702 0.302 19 0 "[ . 1 . 2 ]" 1
387 1 80 CYS H 1 82 GLN H 0.000 . 5.000 4.243 4.143 4.467 . 0 0 "[ . 1 . 2 ]" 1
388 1 39 ASP HA 1 41 GLN H 0.000 . 5.000 4.340 4.318 4.350 . 0 0 "[ . 1 . 2 ]" 1
389 1 28 THR MG 1 30 GLY H 2.800 2.800 3.500 2.730 2.522 2.808 0.278 1 0 "[ . 1 . 2 ]" 1
390 1 22 ILE H 1 25 THR H 0.000 . 4.000 3.028 2.972 3.138 . 0 0 "[ . 1 . 2 ]" 1
391 1 7 PRO HB3 1 9 LEU H 4.200 4.200 9.200 4.219 4.100 4.428 0.100 13 0 "[ . 1 . 2 ]" 1
392 1 55 GLY QA 1 57 ASP H 0.000 . 5.800 4.865 3.090 5.230 . 0 0 "[ . 1 . 2 ]" 1
393 1 3 GLU HB3 1 5 THR H 0.000 . 5.000 4.284 3.881 4.472 . 0 0 "[ . 1 . 2 ]" 1
394 1 41 GLN HB2 1 43 GLU H 0.000 . 3.200 3.184 3.119 3.204 0.004 18 0 "[ . 1 . 2 ]" 1
395 1 81 ASN HA 1 84 LEU MD2 0.000 . 4.000 2.864 2.574 3.335 . 0 0 "[ . 1 . 2 ]" 1
396 1 31 HIS HA 1 75 CYS H 0.000 . 5.000 4.766 4.615 4.975 . 0 0 "[ . 1 . 2 ]" 1
397 1 36 ILE MD 1 88 LEU H 0.000 . 5.800 3.765 2.926 4.246 . 0 0 "[ . 1 . 2 ]" 1
398 1 37 GLU HA 1 70 ARG HA 0.000 . 3.200 2.674 2.463 2.853 . 0 0 "[ . 1 . 2 ]" 1
399 1 11 CYS HA 1 79 LEU QD 0.000 . 4.000 3.345 3.289 3.363 . 0 0 "[ . 1 . 2 ]" 1
400 1 34 ALA MB 1 48 SER HB2 0.000 . 5.800 2.666 2.360 3.068 . 0 0 "[ . 1 . 2 ]" 1
401 1 12 TYR H 1 79 LEU HA 2.700 2.700 7.700 3.271 3.184 3.356 . 0 0 "[ . 1 . 2 ]" 1
402 1 38 GLU HA 1 45 THR H 0.000 . 4.000 4.035 4.021 4.072 0.072 7 0 "[ . 1 . 2 ]" 1
403 1 34 ALA MB 1 73 GLU HB2 0.000 . 3.500 2.923 2.855 2.946 . 0 0 "[ . 1 . 2 ]" 1
404 1 7 PRO HA 1 29 ASN HA 3.200 3.200 4.000 3.172 3.139 3.195 0.061 15 0 "[ . 1 . 2 ]" 1
405 1 11 CYS QB 1 26 CYS H 0.000 . 5.800 3.526 3.433 3.789 . 0 0 "[ . 1 . 2 ]" 1
406 1 9 LEU QD 1 30 GLY H 4.200 4.200 9.200 3.487 3.441 3.670 0.759 19 21 [************-*****+**] 1
407 1 9 LEU QD 1 32 CYS H 3.500 3.500 4.000 2.858 2.836 2.873 0.664 13 21 [*******-****+********] 1
408 1 7 PRO HA 1 29 ASN H 3.200 3.200 8.200 4.203 3.776 4.451 . 0 0 "[ . 1 . 2 ]" 1
409 1 9 LEU QD 1 78 ASN H 0.000 . 4.800 3.195 3.085 3.405 . 0 0 "[ . 1 . 2 ]" 1
410 1 18 PRO QG 1 27 ILE H 0.000 . 5.800 5.200 5.185 5.225 . 0 0 "[ . 1 . 2 ]" 1
411 1 39 ASP H 1 44 THR HA 3.200 3.200 7.700 3.817 3.766 3.901 . 0 0 "[ . 1 . 2 ]" 1
412 1 7 PRO HB3 1 29 ASN H 4.000 4.000 5.000 4.656 3.985 5.036 0.036 4 0 "[ . 1 . 2 ]" 1
413 1 32 CYS HA 1 50 CYS HA 0.000 . 3.200 3.095 2.657 3.246 0.046 15 0 "[ . 1 . 2 ]" 1
414 1 34 ALA H 1 84 LEU MD2 0.000 . 5.800 4.829 4.690 4.847 . 0 0 "[ . 1 . 2 ]" 1
415 1 29 ASN H 1 52 LYS HA 0.000 . 4.000 3.955 3.489 4.041 0.041 6 0 "[ . 1 . 2 ]" 1
416 1 73 GLU HB3 1 84 LEU QD 0.000 . 4.700 2.199 1.961 2.497 . 0 0 "[ . 1 . 2 ]" 1
417 1 12 TYR HA 1 25 THR MG 0.000 . 4.000 2.292 2.020 2.639 . 0 0 "[ . 1 . 2 ]" 1
418 1 33 PHE HA 1 75 CYS H 0.000 . 4.000 3.968 3.819 4.092 0.092 19 0 "[ . 1 . 2 ]" 1
419 1 34 ALA MB 1 73 GLU H 0.000 . 5.800 3.714 3.607 3.832 . 0 0 "[ . 1 . 2 ]" 1
420 1 33 PHE H 1 48 SER HB2 0.000 . 5.000 4.479 4.347 4.613 . 0 0 "[ . 1 . 2 ]" 1
421 1 9 LEU H 1 27 ILE MG 4.000 4.000 9.000 3.287 3.262 3.302 0.738 13 21 [************+*****-**] 1
422 1 34 ALA MB 1 86 PRO QD 0.000 . 4.800 3.178 2.441 3.565 . 0 0 "[ . 1 . 2 ]" 1
423 1 13 CYS H 1 25 THR HA 0.000 . 4.000 3.175 2.925 3.479 . 0 0 "[ . 1 . 2 ]" 1
424 1 31 HIS H 1 51 MET ME 5.000 5.000 10.000 5.081 4.789 5.465 0.211 11 0 "[ . 1 . 2 ]" 1
425 1 38 GLU HA 1 43 GLU H 0.000 . 5.000 4.694 4.572 4.867 . 0 0 "[ . 1 . 2 ]" 1
426 1 9 LEU H 1 28 THR H 0.000 . 4.000 3.507 3.381 3.705 . 0 0 "[ . 1 . 2 ]" 1
427 1 51 MET ME 1 72 ILE MD 0.000 . 5.600 3.882 3.782 3.914 . 0 0 "[ . 1 . 2 ]" 1
428 1 30 GLY H 1 53 TYR HA 0.000 . 5.000 4.929 4.620 5.039 0.039 18 0 "[ . 1 . 2 ]" 1
429 1 36 ILE MG 1 71 THR HB 0.000 . 3.200 1.998 1.980 2.013 . 0 0 "[ . 1 . 2 ]" 1
430 1 10 LYS HG3 1 25 THR HB 0.000 . 4.000 2.901 2.513 3.334 . 0 0 "[ . 1 . 2 ]" 1
431 1 8 PHE H 1 28 THR MG 0.000 . 5.800 4.844 4.795 4.899 . 0 0 "[ . 1 . 2 ]" 1
432 1 71 THR MG 1 87 THR H 3.200 3.200 4.800 2.856 2.661 3.175 0.539 3 7 "[ +**- *1 *.* 2 ]" 1
433 1 12 TYR H 1 81 ASN H 0.000 . 4.000 3.928 3.729 4.048 0.048 11 0 "[ . 1 . 2 ]" 1
434 1 32 CYS H 1 75 CYS H 0.000 . 3.200 3.240 3.139 3.294 0.094 15 0 "[ . 1 . 2 ]" 1
435 1 12 TYR HD2 1 82 GLN HA 0.000 . 3.200 3.247 3.209 3.294 0.094 6 0 "[ . 1 . 2 ]" 1
436 1 8 PHE H 1 27 ILE MG 0.000 . 6.500 4.229 4.155 4.289 . 0 0 "[ . 1 . 2 ]" 1
437 1 9 LEU HA 1 28 THR H 0.000 . 5.000 5.072 5.053 5.091 0.091 7 0 "[ . 1 . 2 ]" 1
438 1 39 ASP H 1 44 THR MG 0.000 . 5.800 4.588 4.547 4.656 . 0 0 "[ . 1 . 2 ]" 1
439 1 36 ILE MG 1 87 THR H 0.000 . 5.800 3.762 3.342 4.302 . 0 0 "[ . 1 . 2 ]" 1
440 1 12 TYR HB3 1 82 GLN H 3.500 3.500 5.000 3.441 3.418 3.492 0.082 3 0 "[ . 1 . 2 ]" 1
441 1 37 GLU QB 1 45 THR H 0.000 . 5.800 3.560 3.436 3.686 . 0 0 "[ . 1 . 2 ]" 1
442 1 14 SER QB 1 48 SER H 0.000 . 4.800 3.297 2.034 4.278 . 0 0 "[ . 1 . 2 ]" 1
443 1 32 CYS HB3 1 81 ASN H 0.000 . 4.000 3.799 3.660 4.044 0.044 13 0 "[ . 1 . 2 ]" 1
444 1 36 ILE MG 1 86 PRO HB2 0.000 . 4.000 1.963 1.925 2.143 . 0 0 "[ . 1 . 2 ]" 1
445 1 71 THR H 1 88 LEU MD2 0.000 . 5.000 3.406 2.715 3.754 . 0 0 "[ . 1 . 2 ]" 1
446 1 37 GLU HA 1 70 ARG QG 2.700 2.700 7.700 4.347 2.649 4.676 0.051 13 0 "[ . 1 . 2 ]" 1
447 1 37 GLU H 1 44 THR MG 0.000 . 4.800 4.040 4.014 4.439 . 0 0 "[ . 1 . 2 ]" 1
448 1 6 LEU H 1 29 ASN HB3 0.000 . 5.000 5.035 4.959 5.080 0.080 7 0 "[ . 1 . 2 ]" 1
449 1 40 ASP H 1 68 LEU QD 0.000 . 6.500 4.473 3.633 4.842 . 0 0 "[ . 1 . 2 ]" 1
450 1 36 ILE H 1 72 ILE HA 0.000 . 3.500 3.487 3.415 3.568 0.068 11 0 "[ . 1 . 2 ]" 1
451 1 38 GLU H 1 70 ARG HA 0.000 . 4.000 3.711 3.329 3.881 . 0 0 "[ . 1 . 2 ]" 1
452 1 12 TYR HB2 1 82 GLN H 3.500 3.500 5.000 3.842 3.565 4.344 . 0 0 "[ . 1 . 2 ]" 1
453 1 33 PHE H 1 50 CYS HA 0.000 . 4.000 3.811 3.585 3.919 . 0 0 "[ . 1 . 2 ]" 1
454 1 11 CYS HA 1 81 ASN H 0.000 . 5.000 4.197 3.839 4.617 . 0 0 "[ . 1 . 2 ]" 1
455 1 12 TYR HA 1 26 CYS H 0.000 . 5.000 4.079 3.742 4.196 . 0 0 "[ . 1 . 2 ]" 1
456 1 35 ILE HA 1 73 GLU H 0.000 . 3.500 3.591 3.446 3.629 0.129 10 0 "[ . 1 . 2 ]" 1
457 1 11 CYS H 1 27 ILE H 0.000 . 5.000 5.076 5.012 5.101 0.101 13 0 "[ . 1 . 2 ]" 1
458 1 70 ARG HA 1 88 LEU MD2 0.000 . 4.000 2.619 1.969 3.145 . 0 0 "[ . 1 . 2 ]" 1
459 1 38 GLU HA 1 44 THR H 0.000 . 5.000 4.831 4.758 5.024 0.024 7 0 "[ . 1 . 2 ]" 1
460 1 33 PHE HA 1 73 GLU H 0.000 . 5.000 4.809 4.680 5.018 0.018 19 0 "[ . 1 . 2 ]" 1
461 1 12 TYR H 1 79 LEU H 0.000 . 5.000 4.736 4.562 4.841 . 0 0 "[ . 1 . 2 ]" 1
462 1 21 ALA HA 1 26 CYS HA 4.000 4.000 5.000 3.927 3.867 3.945 0.133 8 0 "[ . 1 . 2 ]" 1
463 1 21 ALA MB 1 26 CYS HA 4.000 4.000 5.800 3.903 3.458 4.051 0.542 8 1 "[ . + 1 . 2 ]" 1
464 1 30 GLY HA3 1 51 MET H 0.000 . 5.000 5.008 4.908 5.058 0.058 1 0 "[ . 1 . 2 ]" 1
465 1 70 ARG H 1 88 LEU MD2 3.200 3.200 5.800 3.580 2.935 4.334 0.265 18 0 "[ . 1 . 2 ]" 1
466 1 9 LEU QD 1 77 THR HA 0.000 . 3.500 2.777 2.659 2.968 . 0 0 "[ . 1 . 2 ]" 1
467 1 8 PHE H 1 28 THR H 0.000 . 5.000 4.730 4.513 4.852 . 0 0 "[ . 1 . 2 ]" 1
468 1 33 PHE HA 1 74 CYS HA 0.000 . 2.700 2.559 2.246 2.730 0.030 21 0 "[ . 1 . 2 ]" 1
469 1 38 GLU H 1 88 LEU MD2 3.200 3.200 7.200 4.366 3.609 5.101 . 0 0 "[ . 1 . 2 ]" 1
470 1 71 THR HB 1 87 THR H 0.000 . 5.000 3.860 3.633 4.477 . 0 0 "[ . 1 . 2 ]" 1
471 1 33 PHE QD 1 51 MET HB2 0.000 . 3.200 2.049 2.020 2.115 . 0 0 "[ . 1 . 2 ]" 1
472 1 33 PHE QB 1 51 MET ME 0.000 . 4.800 1.897 1.772 2.138 . 0 0 "[ . 1 . 2 ]" 1
473 1 71 THR HA 1 88 LEU HA 0.000 . 5.000 4.997 4.930 5.024 0.024 20 0 "[ . 1 . 2 ]" 1
474 1 32 CYS HA 1 51 MET H 0.000 . 5.000 3.270 2.867 3.393 . 0 0 "[ . 1 . 2 ]" 1
475 1 30 GLY H 1 53 TYR QB 4.500 4.500 5.800 4.754 4.259 5.135 0.241 20 0 "[ . 1 . 2 ]" 1
476 1 10 LYS QG 1 26 CYS H 0.000 . 5.800 3.313 2.969 3.793 . 0 0 "[ . 1 . 2 ]" 1
477 1 28 THR MG 1 51 MET H 0.000 . 4.000 3.169 2.936 3.241 . 0 0 "[ . 1 . 2 ]" 1
478 1 10 LYS QD 1 25 THR HB 2.700 2.700 7.700 3.155 2.399 4.127 0.301 18 0 "[ . 1 . 2 ]" 1
479 1 34 ALA H 1 73 GLU H 0.000 . 3.500 3.103 3.000 3.265 . 0 0 "[ . 1 . 2 ]" 1
480 1 9 LEU HG 1 32 CYS H 0.000 . 5.000 4.772 4.618 5.051 0.051 13 0 "[ . 1 . 2 ]" 1
481 1 14 SER H 1 48 SER H 0.000 . 3.200 2.471 2.158 2.759 . 0 0 "[ . 1 . 2 ]" 1
482 1 31 HIS H 1 51 MET HB3 0.000 . 3.200 2.367 2.118 2.528 . 0 0 "[ . 1 . 2 ]" 1
483 1 38 GLU HB2 1 88 LEU MD1 0.000 . 3.500 2.795 2.319 2.922 . 0 0 "[ . 1 . 2 ]" 1
484 1 10 LYS H 1 78 ASN QB 3.500 3.500 8.500 3.375 3.059 3.465 0.441 19 0 "[ . 1 . 2 ]" 1
485 1 36 ILE QG 1 45 THR H 0.000 . 5.800 3.492 3.272 3.659 . 0 0 "[ . 1 . 2 ]" 1
486 1 36 ILE MG 1 86 PRO HB3 0.000 . 5.800 3.147 2.798 3.486 . 0 0 "[ . 1 . 2 ]" 1
487 1 34 ALA MB 1 48 SER HB3 0.000 . 5.800 2.464 2.276 2.729 . 0 0 "[ . 1 . 2 ]" 1
488 1 8 PHE H 1 29 ASN HB2 0.000 . 5.000 4.670 4.556 4.818 . 0 0 "[ . 1 . 2 ]" 1
489 1 9 LEU QD 1 31 HIS H 4.200 4.200 5.800 3.759 3.537 4.227 0.663 15 6 "[ .* * * + - *2 ]" 1
490 1 36 ILE MG 1 71 THR H 0.000 . 3.500 2.083 1.993 2.198 . 0 0 "[ . 1 . 2 ]" 1
491 1 13 CYS QB 1 49 GLY HA2 0.000 . 3.500 2.839 2.680 3.158 . 0 0 "[ . 1 . 2 ]" 1
492 1 11 CYS H 1 26 CYS H 0.000 . 4.000 2.783 2.671 3.013 . 0 0 "[ . 1 . 2 ]" 1
493 1 21 ALA MB 1 26 CYS HB3 0.000 . 4.000 3.278 3.102 3.344 . 0 0 "[ . 1 . 2 ]" 1
494 1 10 LYS HG2 1 25 THR HB 0.000 . 4.000 2.379 2.097 3.005 . 0 0 "[ . 1 . 2 ]" 1
495 1 34 ALA HA 1 48 SER HA 0.000 . 2.700 2.191 2.035 2.249 . 0 0 "[ . 1 . 2 ]" 1
496 1 27 ILE H 1 50 CYS HB2 0.000 . 5.000 4.843 4.190 5.165 0.165 15 0 "[ . 1 . 2 ]" 1
497 1 11 CYS H 1 27 ILE QG 0.000 . 5.800 4.749 4.231 4.903 . 0 0 "[ . 1 . 2 ]" 1
498 1 30 GLY QA 1 53 TYR HA 0.000 . 3.500 2.659 2.078 3.035 . 0 0 "[ . 1 . 2 ]" 1
499 1 12 TYR H 1 79 LEU QD 4.000 4.000 9.000 3.257 3.245 3.277 0.755 15 21 [-*************+******] 1
500 1 35 ILE HA 1 72 ILE HA 0.000 . 2.700 2.245 2.197 2.309 . 0 0 "[ . 1 . 2 ]" 1
501 1 34 ALA H 1 74 CYS HA 0.000 . 4.000 3.885 3.655 4.028 0.028 11 0 "[ . 1 . 2 ]" 1
502 1 33 PHE QE 1 50 CYS H 0.000 . 4.000 2.888 2.592 3.201 . 0 0 "[ . 1 . 2 ]" 1
503 1 30 GLY H 1 52 LYS HA 3.500 3.500 8.500 4.215 3.491 4.517 0.009 15 0 "[ . 1 . 2 ]" 1
504 1 30 GLY HA3 1 53 TYR H 0.000 . 5.000 3.969 3.289 4.443 . 0 0 "[ . 1 . 2 ]" 1
505 1 34 ALA HA 1 49 GLY H 0.000 . 4.000 3.854 3.613 3.923 . 0 0 "[ . 1 . 2 ]" 1
506 1 46 LEU QD 1 85 GLN HA 0.000 . 5.500 3.945 3.616 4.086 . 0 0 "[ . 1 . 2 ]" 1
507 1 38 GLU H 1 68 LEU HG 0.000 . 5.000 4.685 3.654 5.082 0.082 7 0 "[ . 1 . 2 ]" 1
508 1 38 GLU HA 1 44 THR HA 0.000 . 2.700 2.727 2.698 2.849 0.149 7 0 "[ . 1 . 2 ]" 1
509 1 38 GLU H 1 69 ARG QB 0.000 . 4.800 4.257 3.562 4.348 . 0 0 "[ . 1 . 2 ]" 1
510 1 34 ALA MB 1 84 LEU QD 0.000 . 5.000 3.064 3.005 3.098 . 0 0 "[ . 1 . 2 ]" 1
511 1 7 PRO HB3 1 28 THR H 3.500 3.500 5.000 4.198 3.788 4.545 . 0 0 "[ . 1 . 2 ]" 1
512 1 73 GLU HB2 1 84 LEU QD 0.000 . 4.700 2.633 2.430 2.867 . 0 0 "[ . 1 . 2 ]" 1
513 1 38 GLU HB2 1 44 THR MG 0.000 . 4.000 3.238 3.101 3.450 . 0 0 "[ . 1 . 2 ]" 1
514 1 35 ILE H 1 48 SER HA 0.000 . 4.000 3.591 3.442 3.664 . 0 0 "[ . 1 . 2 ]" 1
515 1 12 TYR HA 1 25 THR HA 0.000 . 2.700 2.596 2.184 2.708 0.008 5 0 "[ . 1 . 2 ]" 1
516 1 33 PHE QE 1 49 GLY HA3 0.000 . 4.000 3.064 2.653 3.189 . 0 0 "[ . 1 . 2 ]" 1
517 1 31 HIS HB3 1 75 CYS H 0.000 . 4.100 2.900 2.680 3.138 . 0 0 "[ . 1 . 2 ]" 1
518 1 11 CYS HA 1 79 LEU HA 0.000 . 3.200 3.233 2.754 3.304 0.104 15 0 "[ . 1 . 2 ]" 1
519 1 44 THR MG 1 88 LEU MD1 0.000 . 4.300 2.451 1.747 2.981 . 0 0 "[ . 1 . 2 ]" 1
520 1 33 PHE H 1 51 MET H 0.000 . 4.000 4.028 4.013 4.044 0.044 18 0 "[ . 1 . 2 ]" 1
521 1 31 HIS H 1 51 MET H 0.000 . 4.000 3.414 3.243 3.663 . 0 0 "[ . 1 . 2 ]" 1
522 1 36 ILE MD 1 87 THR HA 0.000 . 5.800 3.053 2.250 3.893 . 0 0 "[ . 1 . 2 ]" 1
523 1 35 ILE MG 1 47 ALA MB 0.000 . 4.300 2.665 2.451 2.886 . 0 0 "[ . 1 . 2 ]" 1
524 1 33 PHE H 1 49 GLY H 0.000 . 3.200 3.209 3.173 3.264 0.064 15 0 "[ . 1 . 2 ]" 1
525 1 32 CYS HB2 1 75 CYS H 0.000 . 4.000 3.656 3.525 3.885 . 0 0 "[ . 1 . 2 ]" 1
526 1 36 ILE HG12 1 71 THR H 0.000 . 4.200 4.272 4.249 4.309 0.109 13 0 "[ . 1 . 2 ]" 1
527 1 12 TYR HD1 1 25 THR MG 0.000 . 4.000 2.674 2.304 2.788 . 0 0 "[ . 1 . 2 ]" 1
528 1 10 LYS HA 1 27 ILE HA 0.000 . 2.700 2.722 2.674 2.764 0.064 15 0 "[ . 1 . 2 ]" 1
529 1 31 HIS H 1 51 MET QG 2.700 2.700 5.800 3.971 3.404 4.222 . 0 0 "[ . 1 . 2 ]" 1
530 1 7 PRO QB 1 27 ILE MG 2.700 2.700 7.700 2.011 1.979 2.271 0.721 14 20 "[ *-**********+*******]" 1
531 1 37 GLU H 1 45 THR H 0.000 . 3.500 2.665 2.514 3.050 . 0 0 "[ . 1 . 2 ]" 1
532 1 9 LEU H 1 29 ASN HA 0.000 . 5.000 4.874 4.770 5.054 0.054 13 0 "[ . 1 . 2 ]" 1
533 1 31 HIS H 1 51 MET HB2 0.000 . 4.000 4.005 3.858 4.165 0.165 3 0 "[ . 1 . 2 ]" 1
534 1 29 ASN QD 1 53 TYR H 0.000 . 4.800 3.732 2.698 4.279 . 0 0 "[ . 1 . 2 ]" 1
535 1 39 ASP H 1 45 THR H 0.000 . 5.000 4.555 4.466 4.637 . 0 0 "[ . 1 . 2 ]" 1
536 1 35 ILE H 1 47 ALA H 0.000 . 4.000 3.136 3.066 3.218 . 0 0 "[ . 1 . 2 ]" 1
537 1 30 GLY QA 1 53 TYR QB 0.000 . 5.000 3.391 2.593 3.887 . 0 0 "[ . 1 . 2 ]" 1
538 1 31 HIS HB2 1 75 CYS H 0.000 . 4.000 4.088 4.073 4.138 0.138 13 0 "[ . 1 . 2 ]" 1
539 1 9 LEU HB3 1 28 THR H 0.000 . 4.000 3.170 2.841 3.255 . 0 0 "[ . 1 . 2 ]" 1
540 1 33 PHE QD 1 51 MET H 2.700 2.700 4.000 2.668 2.637 2.833 0.063 18 0 "[ . 1 . 2 ]" 1
541 1 29 ASN H 1 53 TYR QB 3.500 3.500 8.500 4.651 4.254 5.154 . 0 0 "[ . 1 . 2 ]" 1
542 1 8 PHE H 1 29 ASN HA 3.200 3.200 5.000 3.176 3.147 3.205 0.053 13 0 "[ . 1 . 2 ]" 1
543 1 11 CYS HA 1 79 LEU H 2.700 2.700 3.500 3.428 3.068 3.504 0.004 9 0 "[ . 1 . 2 ]" 1
544 1 11 CYS H 1 25 THR MG 0.000 . 5.800 4.836 4.772 4.863 . 0 0 "[ . 1 . 2 ]" 1
545 1 9 LEU HB3 1 29 ASN HA 0.000 . 4.000 3.788 3.719 4.003 0.003 1 0 "[ . 1 . 2 ]" 1
546 1 9 LEU QD 1 31 HIS HA 0.000 . 3.500 2.263 1.947 2.679 . 0 0 "[ . 1 . 2 ]" 1
547 1 9 LEU QD 1 76 ARG HA 0.000 . 3.500 2.423 2.184 2.788 . 0 0 "[ . 1 . 2 ]" 1
548 1 9 LEU QD 1 78 ASN HA 0.000 . 3.500 2.337 2.042 2.744 . 0 0 "[ . 1 . 2 ]" 1
549 1 7 PRO HB2 1 27 ILE MG 0.000 . 4.000 2.715 2.239 2.984 . 0 0 "[ . 1 . 2 ]" 1
550 1 10 LYS H 1 78 ASN HA 0.000 . 4.000 3.285 3.079 3.589 . 0 0 "[ . 1 . 2 ]" 1
551 1 10 LYS H 1 79 LEU H 0.000 . 5.000 3.866 3.760 4.073 . 0 0 "[ . 1 . 2 ]" 1
552 1 10 LYS HB3 1 79 LEU QD 0.000 . 4.800 3.052 2.871 3.722 . 0 0 "[ . 1 . 2 ]" 1
553 1 11 CYS H 1 25 THR HB 0.000 . 5.000 3.969 3.845 4.289 . 0 0 "[ . 1 . 2 ]" 1
554 1 12 TYR H 1 82 GLN HB2 0.000 . 5.000 3.855 2.914 4.625 . 0 0 "[ . 1 . 2 ]" 1
555 1 12 TYR HA 1 25 THR HB 0.000 . 5.000 3.935 3.560 4.365 . 0 0 "[ . 1 . 2 ]" 1
556 1 14 SER H 1 47 ALA HA 0.000 . 4.000 3.937 3.720 4.039 0.039 8 0 "[ . 1 . 2 ]" 1
557 1 18 PRO QG 1 26 CYS HB3 0.000 . 4.000 3.081 2.924 3.422 . 0 0 "[ . 1 . 2 ]" 1
558 1 18 PRO QG 1 26 CYS HB2 0.000 . 4.000 3.458 3.347 3.577 . 0 0 "[ . 1 . 2 ]" 1
559 1 28 THR HB 1 50 CYS HA 0.000 . 4.000 3.501 3.273 4.035 0.035 15 0 "[ . 1 . 2 ]" 1
560 1 28 THR HB 1 50 CYS HB3 0.000 . 2.700 2.063 2.027 2.506 . 0 0 "[ . 1 . 2 ]" 1
561 1 33 PHE HB2 1 51 MET ME 0.000 . 4.000 2.342 2.129 2.793 . 0 0 "[ . 1 . 2 ]" 1
562 1 34 ALA H 1 73 GLU HB2 0.000 . 4.000 3.827 3.614 4.008 0.008 6 0 "[ . 1 . 2 ]" 1
563 1 34 ALA HA 1 48 SER HB3 0.000 . 3.200 2.898 2.710 3.206 0.006 15 0 "[ . 1 . 2 ]" 1
564 1 34 ALA HA 1 48 SER HB2 0.000 . 4.000 3.215 3.008 3.447 . 0 0 "[ . 1 . 2 ]" 1
565 1 35 ILE HB 1 72 ILE HA 0.000 . 5.000 3.820 3.663 4.006 . 0 0 "[ . 1 . 2 ]" 1
566 1 37 GLU H 1 44 THR HB 0.000 . 5.000 3.885 3.788 4.491 . 0 0 "[ . 1 . 2 ]" 1
567 1 35 ILE MG 1 47 ALA H 0.000 . 5.000 3.176 3.054 3.336 . 0 0 "[ . 1 . 2 ]" 1
568 1 73 GLU QB 1 84 LEU MD2 0.000 . 4.300 2.101 1.895 2.339 . 0 0 "[ . 1 . 2 ]" 1
569 1 33 PHE QD 1 51 MET ME 0.000 . 4.000 2.848 2.468 3.159 . 0 0 "[ . 1 . 2 ]" 1
570 1 28 THR MG 1 50 CYS HA 0.000 . 4.000 3.230 3.082 3.392 . 0 0 "[ . 1 . 2 ]" 1
571 1 71 THR HB 1 86 PRO HB2 0.000 . 3.200 3.205 2.983 3.231 0.031 13 0 "[ . 1 . 2 ]" 1
572 1 32 CYS HB3 1 81 ASN HB2 0.000 . 3.200 2.923 2.533 3.264 0.064 1 0 "[ . 1 . 2 ]" 1
573 1 48 SER HB2 1 81 ASN HB3 0.000 . 4.000 3.633 3.284 3.978 . 0 0 "[ . 1 . 2 ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 5
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 11 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 13 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 17 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 26 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 32 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 50 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 60 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 74 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 75 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 80 CYS 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 26 CYS SG 1 50 CYS SG 2.020 . 2.120 2.026 1.985 2.031 . 0 0 "[ . 1 . 2 ]" 2
2 1 11 CYS SG 1 32 CYS SG 2.020 . 2.120 2.013 1.988 2.020 . 0 0 "[ . 1 . 2 ]" 2
3 1 75 CYS SG 1 80 CYS SG 2.020 . 2.120 2.010 1.976 2.023 . 0 0 "[ . 1 . 2 ]" 2
4 1 60 CYS SG 1 74 CYS SG 2.020 . 2.120 2.024 2.018 2.031 . 0 0 "[ . 1 . 2 ]" 2
5 1 13 CYS SG 1 17 CYS SG 2.020 . 2.120 2.022 2.019 2.031 . 0 0 "[ . 1 . 2 ]" 2
stop_
save_
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