NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
537056 |
2lli   |
18049 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lli
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 50
_Distance_constraint_stats_list.Viol_count 938
_Distance_constraint_stats_list.Viol_total 5786.265
_Distance_constraint_stats_list.Viol_max 1.255
_Distance_constraint_stats_list.Viol_rms 0.2358
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2893
_Distance_constraint_stats_list.Viol_average_violations_only 0.3084
_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 7 CYS 17.148 0.740 12 5 "[ - 1 + * * *]"
1 10 CYS 26.782 0.917 1 20 [+*-*****************]
1 15 HIS 27.565 0.917 1 17 "[+***-****1*** .*****]"
1 20 CYS 28.512 0.874 9 16 "[*-* .***+*** ** ****]"
1 25 CYS 26.303 0.896 3 19 "[**+*****-*** *******]"
1 28 CYS 25.303 1.096 9 13 "[* . **+** ****- **]"
1 34 HIS 16.687 1.096 9 11 "[* . **+** **.- **]"
1 39 CYS 22.115 0.896 3 19 "[**+********* ***-***]"
1 45 CYS 23.582 1.255 13 14 "[- *** *** +*.*****]"
1 48 CYS 22.370 0.872 11 16 "[-**** ***1+ *******2]"
1 53 HIS 26.380 1.255 13 16 "[-********* +*. ****]"
1 58 CYS 23.770 1.006 8 15 "[-* ** *+*1* *******2]"
1 67 CYS 25.287 0.756 2 14 "[*+ *** **** *-* * *]"
1 70 CYS 22.301 0.812 4 10 "[* *+* -* * *.* *2]"
1 75 HIS 18.051 0.868 7 5 "[ * +- 1 * . *]"
1 80 CYS 23.222 0.868 7 17 "[******+*-*** *** **2]"
1 108 CYS 27.441 1.102 3 16 "[ *+ -***** ********]"
1 111 CYS 25.166 1.102 3 15 "[**+*. * ********- *]"
1 116 HIS 24.988 1.009 16 16 "[** **-* *** ***+* **]"
1 121 CYS 22.035 1.068 3 10 "[**+*.* *1 * -* * 2]"
2 1 ZN 21.471 0.575 3 3 "[ + .- 1 . *]"
3 1 ZN 19.893 0.495 19 0 "[ . 1 . 2]"
4 1 ZN 20.728 0.614 13 1 "[ . 1 + . 2]"
5 1 ZN 19.712 0.548 16 1 "[ . 1 .+ 2]"
6 1 ZN 21.813 0.497 5 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 7 CYS SG 6 1 ZN ZN . . 2.460 2.822 2.638 2.957 0.497 5 0 "[ . 1 . 2]" 1
2 1 10 CYS SG 6 1 ZN ZN . . 2.460 2.623 2.514 2.801 0.341 1 0 "[ . 1 . 2]" 1
3 1 15 HIS NE2 6 1 ZN ZN . . 2.260 2.505 2.375 2.581 0.321 8 0 "[ . 1 . 2]" 1
4 1 20 CYS SG 6 1 ZN ZN . . 2.460 2.780 2.598 2.898 0.438 20 0 "[ . 1 . 2]" 1
5 1 25 CYS SG 5 1 ZN ZN . . 2.460 2.699 2.506 2.898 0.438 9 0 "[ . 1 . 2]" 1
6 1 28 CYS SG 5 1 ZN ZN . . 2.460 2.800 2.593 3.008 0.548 16 1 "[ . 1 .+ 2]" 1
7 1 34 HIS NE2 5 1 ZN ZN . . 2.260 2.516 2.365 2.768 0.508 16 1 "[ . 1 .+ 2]" 1
8 1 39 CYS SG 5 1 ZN ZN . . 2.460 2.611 2.519 2.717 0.257 8 0 "[ . 1 . 2]" 1
9 1 45 CYS SG 4 1 ZN ZN . . 2.460 2.728 2.529 2.907 0.447 2 0 "[ . 1 . 2]" 1
10 1 48 CYS SG 4 1 ZN ZN . . 2.460 2.675 2.497 3.074 0.614 13 1 "[ . 1 + . 2]" 1
11 1 53 HIS NE2 4 1 ZN ZN . . 2.260 2.520 2.326 2.689 0.429 13 0 "[ . 1 . 2]" 1
12 1 58 CYS SG 4 1 ZN ZN . . 2.460 2.753 2.517 2.928 0.468 5 0 "[ . 1 . 2]" 1
13 1 67 CYS SG 3 1 ZN ZN . . 2.460 2.715 2.484 2.955 0.495 19 0 "[ . 1 . 2]" 1
14 1 70 CYS SG 3 1 ZN ZN . . 2.460 2.790 2.535 2.938 0.478 8 0 "[ . 1 . 2]" 1
15 1 75 HIS NE2 3 1 ZN ZN . . 2.260 2.502 2.344 2.713 0.453 14 0 "[ . 1 . 2]" 1
16 1 80 CYS SG 3 1 ZN ZN . . 2.460 2.627 2.489 2.823 0.363 8 0 "[ . 1 . 2]" 1
17 1 108 CYS SG 2 1 ZN ZN . . 2.460 2.801 2.547 3.035 0.575 3 2 "[ + . 1 . -]" 1
18 1 111 CYS SG 2 1 ZN ZN . . 2.460 2.648 2.477 2.763 0.303 9 0 "[ . 1 . 2]" 1
19 1 116 HIS NE2 2 1 ZN ZN . . 2.260 2.505 2.355 2.761 0.501 6 1 "[ .+ 1 . 2]" 1
20 1 121 CYS SG 2 1 ZN ZN . . 2.460 2.760 2.551 2.897 0.437 3 0 "[ . 1 . 2]" 1
21 1 7 CYS SG 1 10 CYS SG . . 4.110 4.042 3.816 4.505 0.395 15 0 "[ . 1 . 2]" 1
22 1 7 CYS SG 1 20 CYS SG . . 4.110 4.374 4.045 4.850 0.740 12 4 "[ . 1 + - * *]" 1
23 1 10 CYS SG 1 20 CYS SG . . 4.110 4.629 4.152 4.984 0.874 9 12 "[- .***+* ** ****]" 1
24 1 7 CYS SG 1 15 HIS NE2 . . 3.910 4.103 3.940 4.420 0.510 5 1 "[ + 1 . 2]" 1
25 1 10 CYS SG 1 15 HIS NE2 . . 3.910 4.533 3.932 4.827 0.917 1 15 "[+*-**** 1*** .*****]" 1
26 1 15 HIS NE2 1 20 CYS SG . . 3.910 4.227 3.920 4.771 0.861 3 5 "[ -+ . **1* . 2]" 1
27 1 25 CYS SG 1 28 CYS SG . . 4.110 4.380 4.004 4.919 0.809 16 2 "[ . -1 .+ 2]" 1
28 1 25 CYS SG 1 39 CYS SG . . 4.110 4.827 4.608 5.006 0.896 3 19 "[**+*****-*** *******]" 1
29 1 28 CYS SG 1 39 CYS SG . . 4.110 4.289 3.955 4.839 0.729 19 4 "[* . 1 * - +2]" 1
30 1 25 CYS SG 1 34 HIS NE2 . . 3.910 3.991 3.874 4.216 0.306 2 0 "[ . 1 . 2]" 1
31 1 28 CYS SG 1 34 HIS NE2 . . 3.910 4.358 3.854 5.006 1.096 9 11 "[* . **+** **.- **]" 1
32 1 34 HIS NE2 1 39 CYS SG . . 3.910 3.930 3.787 4.110 0.200 17 0 "[ . 1 . 2]" 1
33 1 45 CYS SG 1 48 CYS SG . . 4.110 4.246 4.006 4.801 0.691 13 2 "[ . 1 + .- 2]" 1
34 1 45 CYS SG 1 58 CYS SG . . 4.110 4.337 4.000 5.116 1.006 8 3 "[ *. + 1 .- 2]" 1
35 1 48 CYS SG 1 58 CYS SG . . 4.110 4.550 4.124 4.982 0.872 11 11 "[-* * *1+ *** ***2]" 1
36 1 45 CYS SG 1 53 HIS NE2 . . 3.910 4.433 3.860 5.165 1.255 13 11 "[- ** ** +*. ****]" 1
37 1 48 CYS SG 1 53 HIS NE2 . . 3.910 4.223 3.860 4.745 0.835 2 5 "[ +*-. ** 1 . 2]" 1
38 1 53 HIS NE2 1 58 CYS SG . . 3.910 4.122 3.855 4.580 0.670 8 2 "[ . -+ 1 . 2]" 1
39 1 67 CYS SG 1 70 CYS SG . . 4.110 4.360 4.125 4.835 0.725 1 3 "[+ *. 1 -. 2]" 1
40 1 70 CYS SG 1 80 CYS SG . . 4.110 4.509 4.105 4.922 0.812 4 10 "[* *+* -* * *.* *2]" 1
41 1 67 CYS SG 1 80 CYS SG . . 4.110 4.524 4.204 4.866 0.756 2 8 "[ + .* ***- * * 2]" 1
42 1 70 CYS SG 1 75 HIS NE2 . . 3.910 4.045 3.936 4.344 0.434 17 0 "[ . 1 . 2]" 1
43 1 67 CYS SG 1 75 HIS NE2 . . 3.910 4.255 3.933 4.647 0.737 20 4 "[ * - 1 * . +]" 1
44 1 75 HIS NE2 1 80 CYS SG . . 3.910 4.091 3.927 4.778 0.868 7 1 "[ . + 1 . 2]" 1
45 1 108 CYS SG 1 111 CYS SG . . 4.110 4.453 3.933 5.212 1.102 3 8 "[ + . * * **. *- *]" 1
46 1 108 CYS SG 1 121 CYS SG . . 4.110 4.414 4.085 5.178 1.068 3 5 "[ *+ . *1 .- * 2]" 1
47 1 111 CYS SG 1 121 CYS SG . . 4.110 4.394 4.046 5.009 0.899 4 5 "[* +. 1 * - * 2]" 1
48 1 108 CYS SG 1 116 HIS NE2 . . 3.910 4.272 3.795 4.830 0.920 19 8 "[ -** *1 * * * +2]" 1
49 1 111 CYS SG 1 116 HIS NE2 . . 3.910 4.335 3.949 4.919 1.009 16 9 "[-* *. ** **.+ *]" 1
50 1 116 HIS NE2 1 121 CYS SG . . 3.910 4.119 3.951 4.742 0.832 6 2 "[ .+ 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 481
_Distance_constraint_stats_list.Viol_count 1312
_Distance_constraint_stats_list.Viol_total 3098.506
_Distance_constraint_stats_list.Viol_max 1.134
_Distance_constraint_stats_list.Viol_rms 0.0655
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0161
_Distance_constraint_stats_list.Viol_average_violations_only 0.1181
_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 ALA 1.986 0.326 2 0 "[ . 1 . 2]"
1 4 ALA 4.137 0.179 2 0 "[ . 1 . 2]"
1 5 PRO 15.185 0.714 7 3 "[ * . + 1 - . 2]"
1 6 LYS 6.607 0.262 3 0 "[ . 1 . 2]"
1 7 CYS 6.471 0.284 18 0 "[ . 1 . 2]"
1 8 ASN 9.433 0.284 18 0 "[ . 1 . 2]"
1 9 ASN 0.125 0.082 12 0 "[ . 1 . 2]"
1 10 CYS 0.043 0.030 12 0 "[ . 1 . 2]"
1 11 SER 1.831 0.198 20 0 "[ . 1 . 2]"
1 12 GLN 1.129 0.224 13 0 "[ . 1 . 2]"
1 13 ARG 0.749 0.167 11 0 "[ . 1 . 2]"
1 15 HIS 16.403 0.630 10 8 "[* -.* **+ .* * 2]"
1 16 LEU 23.332 0.714 7 11 "[* *-.*+*** * .* * 2]"
1 17 LYS 15.124 0.402 18 0 "[ . 1 . 2]"
1 18 LYS 7.605 0.402 18 0 "[ . 1 . 2]"
1 19 ASP 6.526 0.384 18 0 "[ . 1 . 2]"
1 20 CYS 2.673 0.203 17 0 "[ . 1 . 2]"
1 21 PRO 0.814 0.196 14 0 "[ . 1 . 2]"
1 23 ILE 3.448 0.444 13 0 "[ . 1 . 2]"
1 24 ILE 2.097 0.149 3 0 "[ . 1 . 2]"
1 26 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 TYR 0.258 0.081 18 0 "[ . 1 . 2]"
1 28 CYS 0.296 0.091 11 0 "[ . 1 . 2]"
1 29 GLY 0.652 0.149 3 0 "[ . 1 . 2]"
1 30 ALA 2.286 0.182 16 0 "[ . 1 . 2]"
1 31 THR 1.703 0.182 16 0 "[ . 1 . 2]"
1 32 ASP 0.027 0.027 15 0 "[ . 1 . 2]"
1 33 ASP 0.149 0.054 17 0 "[ . 1 . 2]"
1 34 HIS 0.414 0.115 19 0 "[ . 1 . 2]"
1 35 TYR 0.158 0.108 12 0 "[ . 1 . 2]"
1 39 CYS 5.567 0.424 11 0 "[ . 1 . 2]"
1 40 PRO 5.567 0.424 11 0 "[ . 1 . 2]"
1 41 LYS 0.793 0.139 8 0 "[ . 1 . 2]"
1 42 ALA 2.014 0.141 3 0 "[ . 1 . 2]"
1 43 ILE 3.437 0.159 1 0 "[ . 1 . 2]"
1 44 GLN 5.875 0.295 16 0 "[ . 1 . 2]"
1 45 CYS 3.895 1.019 9 4 "[ . *-+1 . * 2]"
1 46 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LYS 0.128 0.093 7 0 "[ . 1 . 2]"
1 49 ASP 0.810 0.234 17 0 "[ . 1 . 2]"
1 50 GLU 0.550 0.097 3 0 "[ . 1 . 2]"
1 51 VAL 16.851 1.134 14 11 "[* -.****1 * +* ** 2]"
1 52 GLY 5.803 0.464 20 0 "[ . 1 . 2]"
1 53 HIS 0.535 0.126 13 0 "[ . 1 . 2]"
1 54 TYR 0.535 0.126 13 0 "[ . 1 . 2]"
1 55 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 GLN 7.462 1.134 14 7 "[* -.* 1 * +* * 2]"
1 58 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 LYS 0.535 0.137 4 0 "[ . 1 . 2]"
1 64 LYS 0.535 0.137 4 0 "[ . 1 . 2]"
1 65 VAL 4.605 0.775 9 2 "[ . -+1 . 2]"
1 67 CYS 12.844 1.108 8 9 "[* *.* +*1 ** . **2]"
1 68 THR 6.549 1.007 14 5 "[ -. 1 * +.* *2]"
1 69 LEU 14.096 1.108 8 10 "[* -.* + 1 ***.* **2]"
1 70 CYS 1.140 0.449 9 0 "[ . 1 . 2]"
1 71 LYS 1.805 0.457 16 0 "[ . 1 . 2]"
1 78 GLU 0.149 0.149 16 0 "[ . 1 . 2]"
1 81 PRO 1.648 0.164 8 0 "[ . 1 . 2]"
1 82 SER 1.648 0.164 8 0 "[ . 1 . 2]"
1 86 ALA 0.253 0.126 17 0 "[ . 1 . 2]"
1 87 TYR 0.687 0.126 17 0 "[ . 1 . 2]"
1 95 LYS 0.282 0.133 6 0 "[ . 1 . 2]"
1 96 ALA 0.282 0.133 6 0 "[ . 1 . 2]"
1 97 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 PRO 0.104 0.104 1 0 "[ . 1 . 2]"
1 99 LYS 0.114 0.104 1 0 "[ . 1 . 2]"
1 102 PRO 0.041 0.027 4 0 "[ . 1 . 2]"
1 103 PHE 0.041 0.027 4 0 "[ . 1 . 2]"
1 107 TYR 2.606 0.465 14 0 "[ . 1 . 2]"
1 108 CYS 2.204 0.221 16 0 "[ . 1 . 2]"
1 109 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 ASN 0.646 0.150 13 0 "[ . 1 . 2]"
1 111 CYS 0.646 0.150 13 0 "[ . 1 . 2]"
1 112 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 LYS 2.598 0.234 12 0 "[ . 1 . 2]"
1 116 HIS 11.437 0.396 18 0 "[ . 1 . 2]"
1 117 PHE 10.140 0.346 11 0 "[ . 1 . 2]"
1 118 GLY 10.183 0.396 18 0 "[ . 1 . 2]"
1 119 ASP 3.597 0.316 16 0 "[ . 1 . 2]"
1 120 ASP 0.309 0.090 5 0 "[ . 1 . 2]"
1 121 CYS 5.095 0.316 16 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 9 ASN H 1 9 ASN HB2 . . 3.870 3.232 2.545 3.952 0.082 12 0 "[ . 1 . 2]" 2
2 1 9 ASN HB3 1 10 CYS H . . 4.170 2.815 2.335 4.062 . 0 0 "[ . 1 . 2]" 2
3 1 9 ASN HB2 1 10 CYS H . . 4.170 3.834 2.412 4.183 0.013 5 0 "[ . 1 . 2]" 2
4 1 5 PRO HG3 1 17 LYS H . . 4.120 3.930 3.534 4.211 0.091 2 0 "[ . 1 . 2]" 2
5 1 17 LYS H 1 17 LYS HG2 . . 4.460 3.839 3.651 3.929 . 0 0 "[ . 1 . 2]" 2
6 1 17 LYS H 1 17 LYS HB3 . . 3.430 3.145 3.047 3.349 . 0 0 "[ . 1 . 2]" 2
7 1 5 PRO HB2 1 17 LYS H . . 4.150 2.223 1.971 2.512 . 0 0 "[ . 1 . 2]" 2
8 1 5 PRO HB3 1 17 LYS H . . 4.150 3.681 3.401 4.033 . 0 0 "[ . 1 . 2]" 2
9 1 23 ILE H 1 23 ILE HB . . 4.100 3.208 2.296 3.903 . 0 0 "[ . 1 . 2]" 2
10 1 23 ILE H 1 23 ILE HG13 . . 4.060 3.014 1.972 4.491 0.431 6 0 "[ . 1 . 2]" 2
11 1 23 ILE H 1 23 ILE MG . . 4.000 3.057 1.981 3.944 . 0 0 "[ . 1 . 2]" 2
12 1 16 LEU H 1 19 ASP HB3 . . 4.070 3.301 2.579 4.227 0.157 11 0 "[ . 1 . 2]" 2
13 1 16 LEU H 1 16 LEU MD1 . . 3.830 3.053 1.729 3.780 . 0 0 "[ . 1 . 2]" 2
14 1 15 HIS HB2 1 16 LEU H . . 4.540 4.082 3.849 4.367 . 0 0 "[ . 1 . 2]" 2
15 1 12 GLN HB2 1 13 ARG H . . 4.860 3.799 2.789 4.549 . 0 0 "[ . 1 . 2]" 2
16 1 13 ARG H 1 13 ARG HG2 . . 5.330 3.775 2.104 5.013 . 0 0 "[ . 1 . 2]" 2
17 1 13 ARG H 1 13 ARG HB3 . . 4.050 3.085 2.376 3.786 . 0 0 "[ . 1 . 2]" 2
18 1 6 LYS HB2 1 7 CYS H . . 4.530 3.690 2.223 4.275 . 0 0 "[ . 1 . 2]" 2
19 1 6 LYS QG 1 7 CYS H . . 4.140 3.356 1.856 4.310 0.170 15 0 "[ . 1 . 2]" 2
20 1 7 CYS HB3 1 12 GLN H . . 4.670 3.998 3.201 4.735 0.065 12 0 "[ . 1 . 2]" 2
21 1 17 LYS HG2 1 18 LYS H . . 4.400 4.699 4.634 4.802 0.402 18 0 "[ . 1 . 2]" 2
22 1 6 LYS H 1 6 LYS HB2 . . 3.830 3.279 2.936 3.937 0.107 3 0 "[ . 1 . 2]" 2
23 1 5 PRO HB2 1 6 LYS H . . 3.710 3.381 3.204 3.598 . 0 0 "[ . 1 . 2]" 2
24 1 5 PRO HB3 1 6 LYS H . . 4.440 4.135 4.045 4.245 . 0 0 "[ . 1 . 2]" 2
25 1 6 LYS H 1 6 LYS QG . . 4.350 3.949 3.358 4.532 0.182 16 0 "[ . 1 . 2]" 2
26 1 3 ALA MB 1 4 ALA H . . 3.990 3.337 2.809 3.789 . 0 0 "[ . 1 . 2]" 2
27 1 19 ASP H 1 19 ASP HB3 . . 3.600 3.207 2.575 3.617 0.017 3 0 "[ . 1 . 2]" 2
28 1 20 CYS H 1 20 CYS HB2 . . 3.460 2.290 2.141 2.445 . 0 0 "[ . 1 . 2]" 2
29 1 17 LYS HA 1 17 LYS HD2 . . 4.090 2.689 2.512 2.818 . 0 0 "[ . 1 . 2]" 2
30 1 17 LYS HA 1 17 LYS HG2 . . 3.510 2.371 2.345 2.406 . 0 0 "[ . 1 . 2]" 2
31 1 8 ASN HA 1 20 CYS HB2 . . 4.860 4.948 4.765 5.063 0.203 17 0 "[ . 1 . 2]" 2
32 1 7 CYS HB3 1 8 ASN HA . . 4.900 4.825 3.896 5.155 0.255 14 0 "[ . 1 . 2]" 2
33 1 8 ASN HA 1 17 LYS HG2 . . 3.500 2.385 2.186 2.813 . 0 0 "[ . 1 . 2]" 2
34 1 8 ASN HA 1 17 LYS HD2 . . 3.740 3.733 3.641 3.819 0.079 18 0 "[ . 1 . 2]" 2
35 1 8 ASN HA 1 17 LYS HD3 . . 4.180 4.054 3.906 4.195 0.015 12 0 "[ . 1 . 2]" 2
36 1 5 PRO HG2 1 16 LEU HA . . 4.360 4.041 3.651 4.425 0.065 11 0 "[ . 1 . 2]" 2
37 1 5 PRO HB2 1 16 LEU HA . . 4.220 3.790 3.459 4.231 0.011 3 0 "[ . 1 . 2]" 2
38 1 5 PRO HD2 1 6 LYS HA . . 4.930 4.792 4.614 4.997 0.067 12 0 "[ . 1 . 2]" 2
39 1 6 LYS HA 1 7 CYS HB2 . . 5.040 4.842 4.571 5.179 0.139 3 0 "[ . 1 . 2]" 2
40 1 6 LYS HA 1 6 LYS QD . . 4.100 3.398 2.303 4.117 0.017 3 0 "[ . 1 . 2]" 2
41 1 6 LYS HA 1 6 LYS QG . . 3.490 2.786 2.114 3.531 0.041 7 0 "[ . 1 . 2]" 2
42 1 3 ALA HA 1 4 ALA MB . . 4.170 4.075 3.980 4.219 0.049 17 0 "[ . 1 . 2]" 2
43 1 11 SER HA 1 12 GLN HA . . 4.580 4.452 4.206 4.725 0.145 11 0 "[ . 1 . 2]" 2
44 1 23 ILE HA 1 23 ILE HG12 . . 4.250 3.524 2.415 4.270 0.020 4 0 "[ . 1 . 2]" 2
45 1 6 LYS QG 1 11 SER HA . . 4.280 4.015 2.599 4.417 0.137 17 0 "[ . 1 . 2]" 2
46 1 6 LYS HA 1 7 CYS HA . . 4.810 4.647 4.352 4.828 0.018 14 0 "[ . 1 . 2]" 2
47 1 6 LYS QE 1 11 SER HA . . 4.240 3.092 1.939 4.041 . 0 0 "[ . 1 . 2]" 2
48 1 6 LYS QE 1 11 SER HB3 . . 4.560 3.578 2.291 4.758 0.198 20 0 "[ . 1 . 2]" 2
49 1 6 LYS QD 1 11 SER HA . . 3.990 2.547 2.118 4.126 0.136 14 0 "[ . 1 . 2]" 2
50 1 17 LYS HB3 1 18 LYS HA . . 4.150 4.216 4.162 4.265 0.115 16 0 "[ . 1 . 2]" 2
51 1 5 PRO HB2 1 7 CYS HA . . 4.880 4.781 4.340 5.099 0.219 3 0 "[ . 1 . 2]" 2
52 1 6 LYS QE 1 11 SER HB2 . . 4.560 3.938 3.247 4.655 0.095 17 0 "[ . 1 . 2]" 2
53 1 8 ASN HB3 1 17 LYS HD2 . . 4.020 3.527 2.895 4.102 0.082 8 0 "[ . 1 . 2]" 2
54 1 7 CYS HB3 1 11 SER HA . . 4.070 3.137 2.089 4.108 0.038 11 0 "[ . 1 . 2]" 2
55 1 8 ASN HB2 1 17 LYS HD2 . . 4.020 2.664 2.363 3.087 . 0 0 "[ . 1 . 2]" 2
56 1 12 GLN HA 1 12 GLN HG3 . . 4.140 3.302 2.781 3.843 . 0 0 "[ . 1 . 2]" 2
57 1 12 GLN HA 1 12 GLN HG2 . . 4.140 2.854 2.416 4.235 0.095 8 0 "[ . 1 . 2]" 2
58 1 5 PRO HB2 1 17 LYS HB3 . . 4.640 3.992 3.523 4.601 . 0 0 "[ . 1 . 2]" 2
59 1 13 ARG HA 1 13 ARG HG3 . . 4.060 3.160 2.377 4.227 0.167 11 0 "[ . 1 . 2]" 2
60 1 5 PRO HB2 1 16 LEU MD2 . . 4.860 3.984 3.062 4.746 . 0 0 "[ . 1 . 2]" 2
61 1 5 PRO HB2 1 17 LYS HG2 . . 4.860 4.490 4.236 4.924 0.064 20 0 "[ . 1 . 2]" 2
62 1 13 ARG HA 1 13 ARG HG2 . . 4.060 3.255 2.436 4.212 0.152 16 0 "[ . 1 . 2]" 2
63 1 17 LYS HB3 1 17 LYS HD3 . . 3.840 3.861 3.841 3.884 0.044 9 0 "[ . 1 . 2]" 2
64 1 5 PRO HB3 1 16 LEU HB2 . . 3.700 3.758 3.699 3.917 0.217 9 0 "[ . 1 . 2]" 2
65 1 16 LEU HB2 1 16 LEU MD2 . . 3.310 2.529 2.442 2.838 . 0 0 "[ . 1 . 2]" 2
66 1 5 PRO HD2 1 16 LEU HB2 . . 4.580 4.452 4.330 4.556 . 0 0 "[ . 1 . 2]" 2
67 1 5 PRO HG2 1 16 LEU HB2 . . 3.410 2.199 2.092 2.350 . 0 0 "[ . 1 . 2]" 2
68 1 17 LYS HD3 1 17 LYS HG2 . . 2.680 2.408 2.391 2.420 . 0 0 "[ . 1 . 2]" 2
69 1 5 PRO HG2 1 6 LYS HA . . 4.460 3.717 3.331 4.162 . 0 0 "[ . 1 . 2]" 2
70 1 17 LYS HD2 1 17 LYS HG2 . . 2.610 2.486 2.472 2.508 . 0 0 "[ . 1 . 2]" 2
71 1 6 LYS QD 1 12 GLN HA . . 4.360 3.998 2.586 4.451 0.091 1 0 "[ . 1 . 2]" 2
72 1 4 ALA MB 1 5 PRO HB3 . . 4.140 4.247 4.209 4.319 0.179 2 0 "[ . 1 . 2]" 2
73 1 6 LYS QD 1 7 CYS HA . . 5.180 4.540 4.138 5.266 0.086 3 0 "[ . 1 . 2]" 2
74 1 6 LYS QD 1 7 CYS HB2 . . 3.500 2.874 2.114 3.623 0.123 16 0 "[ . 1 . 2]" 2
75 1 23 ILE HB 1 23 ILE MD . . 3.400 2.619 2.257 3.302 . 0 0 "[ . 1 . 2]" 2
76 1 23 ILE HG13 1 23 ILE MG . . 3.460 2.745 2.246 3.262 . 0 0 "[ . 1 . 2]" 2
77 1 3 ALA MB 1 6 LYS QG . . 3.870 3.564 2.484 3.953 0.083 20 0 "[ . 1 . 2]" 2
78 1 3 ALA MB 1 5 PRO HG2 . . 4.550 3.468 2.585 4.277 . 0 0 "[ . 1 . 2]" 2
79 1 4 ALA MB 1 5 PRO HG2 . . 4.970 4.494 4.354 4.571 . 0 0 "[ . 1 . 2]" 2
80 1 4 ALA MB 1 5 PRO HG3 . . 4.090 4.185 4.114 4.238 0.148 9 0 "[ . 1 . 2]" 2
81 1 6 LYS QE 1 6 LYS QG . . 2.760 2.363 2.041 2.750 . 0 0 "[ . 1 . 2]" 2
82 1 23 ILE HG12 1 23 ILE MG . . 3.460 2.547 2.211 3.266 . 0 0 "[ . 1 . 2]" 2
83 1 16 LEU MD2 1 19 ASP HB2 . . 3.840 3.606 2.479 3.941 0.101 13 0 "[ . 1 . 2]" 2
84 1 5 PRO HB2 1 16 LEU MD1 . . 4.860 4.000 3.333 5.025 0.165 3 0 "[ . 1 . 2]" 2
85 1 5 PRO HG2 1 16 LEU MD2 . . 4.020 2.931 2.437 3.640 . 0 0 "[ . 1 . 2]" 2
86 1 23 ILE HA 1 23 ILE MG . . 3.400 2.452 2.190 3.276 . 0 0 "[ . 1 . 2]" 2
87 1 23 ILE HA 1 23 ILE MD . . 3.760 3.539 2.162 4.166 0.406 9 0 "[ . 1 . 2]" 2
88 1 8 ASN H 1 17 LYS HA . . 4.260 3.071 2.710 3.557 . 0 0 "[ . 1 . 2]" 2
89 1 8 ASN HA 1 17 LYS HA . . 4.060 2.630 2.398 2.975 . 0 0 "[ . 1 . 2]" 2
90 1 16 LEU HA 1 17 LYS HA . . 4.630 4.229 4.083 4.321 . 0 0 "[ . 1 . 2]" 2
91 1 15 HIS HA 1 19 ASP HA . . 4.670 4.891 4.787 5.054 0.384 18 0 "[ . 1 . 2]" 2
92 1 15 HIS HA 1 15 HIS HD2 . . 3.950 4.100 4.001 4.410 0.460 20 0 "[ . 1 . 2]" 2
93 1 16 LEU HA 1 16 LEU MD1 . . 4.160 3.706 3.675 3.836 . 0 0 "[ . 1 . 2]" 2
94 1 3 ALA HA 1 4 ALA H . . 3.330 2.258 2.110 2.715 . 0 0 "[ . 1 . 2]" 2
95 1 11 SER H 1 11 SER HB2 . . 4.120 3.280 2.573 3.901 . 0 0 "[ . 1 . 2]" 2
96 1 7 CYS HB2 1 12 GLN H . . 4.350 3.287 1.882 4.362 0.012 15 0 "[ . 1 . 2]" 2
97 1 12 GLN HA 1 13 ARG H . . 3.310 2.575 2.010 3.328 0.018 1 0 "[ . 1 . 2]" 2
98 1 16 LEU H 1 16 LEU MD2 . . 3.830 3.233 2.594 3.391 . 0 0 "[ . 1 . 2]" 2
99 1 8 ASN H 1 8 ASN HB3 . . 4.110 2.533 2.415 2.787 . 0 0 "[ . 1 . 2]" 2
100 1 7 CYS HA 1 16 LEU HA . . 3.880 2.078 1.981 2.172 . 0 0 "[ . 1 . 2]" 2
101 1 7 CYS HA 1 8 ASN HA . . 4.350 4.423 4.250 4.634 0.284 18 0 "[ . 1 . 2]" 2
102 1 23 ILE HA 1 23 ILE HG13 . . 4.250 3.513 2.358 4.254 0.004 20 0 "[ . 1 . 2]" 2
103 1 17 LYS HD2 1 18 LYS HA . . 4.180 4.020 3.846 4.225 0.045 18 0 "[ . 1 . 2]" 2
104 1 6 LYS HA 1 16 LEU HA . . 4.150 3.985 3.326 4.282 0.132 14 0 "[ . 1 . 2]" 2
105 1 6 LYS HA 1 6 LYS QE . . 5.100 4.623 3.945 5.362 0.262 3 0 "[ . 1 . 2]" 2
106 1 7 CYS HB3 1 16 LEU HA . . 4.850 4.812 4.548 4.930 0.080 8 0 "[ . 1 . 2]" 2
107 1 3 ALA HA 1 4 ALA HA . . 4.720 4.533 4.462 4.742 0.022 17 0 "[ . 1 . 2]" 2
108 1 3 ALA HA 1 5 PRO HG2 . . 4.750 4.421 3.454 4.859 0.109 13 0 "[ . 1 . 2]" 2
109 1 3 ALA MB 1 16 LEU HB3 . . 4.620 4.128 3.395 4.689 0.069 9 0 "[ . 1 . 2]" 2
110 1 15 HIS HA 1 19 ASP HB2 . . 3.930 2.965 2.384 3.555 . 0 0 "[ . 1 . 2]" 2
111 1 13 ARG H 1 13 ARG HB2 . . 4.050 3.083 2.335 3.932 . 0 0 "[ . 1 . 2]" 2
112 1 17 LYS HB3 1 18 LYS H . . 4.050 2.116 2.053 2.238 . 0 0 "[ . 1 . 2]" 2
113 1 17 LYS HB3 1 17 LYS HD2 . . 3.250 3.259 3.218 3.298 0.048 2 0 "[ . 1 . 2]" 2
114 1 20 CYS H 1 20 CYS HB3 . . 3.770 2.817 2.485 3.574 . 0 0 "[ . 1 . 2]" 2
115 1 19 ASP H 1 20 CYS HB2 . . 4.850 4.238 3.981 4.475 . 0 0 "[ . 1 . 2]" 2
116 1 7 CYS HB2 1 11 SER HA . . 3.710 2.748 2.140 3.746 0.036 6 0 "[ . 1 . 2]" 2
117 1 5 PRO HG2 1 17 LYS H . . 4.060 3.719 3.523 3.917 . 0 0 "[ . 1 . 2]" 2
118 1 16 LEU HA 1 16 LEU MD2 . . 4.160 3.970 3.624 4.095 . 0 0 "[ . 1 . 2]" 2
119 1 16 LEU MD2 1 18 LYS H . . 5.310 4.245 2.377 5.238 . 0 0 "[ . 1 . 2]" 2
120 1 16 LEU MD1 1 19 ASP HB2 . . 3.840 2.557 2.263 3.691 . 0 0 "[ . 1 . 2]" 2
121 1 16 LEU HB2 1 16 LEU MD1 . . 3.310 2.534 2.216 3.268 . 0 0 "[ . 1 . 2]" 2
122 1 5 PRO HG2 1 16 LEU MD1 . . 4.020 3.650 3.124 3.975 . 0 0 "[ . 1 . 2]" 2
123 1 16 LEU MD1 1 18 LYS H . . 5.310 2.941 2.220 4.956 . 0 0 "[ . 1 . 2]" 2
124 1 4 ALA MB 1 5 PRO HD2 . . 3.270 2.688 2.436 2.832 . 0 0 "[ . 1 . 2]" 2
125 1 4 ALA MB 1 5 PRO HD3 . . 3.050 2.105 2.068 2.144 . 0 0 "[ . 1 . 2]" 2
126 1 15 HIS HA 1 19 ASP HB3 . . 4.570 2.326 2.140 2.536 . 0 0 "[ . 1 . 2]" 2
127 1 9 ASN H 1 9 ASN HB3 . . 3.870 2.978 2.513 3.735 . 0 0 "[ . 1 . 2]" 2
128 1 8 ASN H 1 17 LYS HG2 . . 4.910 4.644 4.333 5.019 0.109 18 0 "[ . 1 . 2]" 2
129 1 23 ILE H 1 23 ILE MD . . 4.240 3.353 1.770 4.345 0.105 16 0 "[ . 1 . 2]" 2
130 1 11 SER H 1 11 SER HB3 . . 4.120 3.467 2.628 4.003 . 0 0 "[ . 1 . 2]" 2
131 1 7 CYS HA 1 16 LEU HB3 . . 4.290 4.338 4.205 4.456 0.166 5 0 "[ . 1 . 2]" 2
132 1 8 ASN H 1 8 ASN HB2 . . 4.110 3.215 2.494 3.656 . 0 0 "[ . 1 . 2]" 2
133 1 5 PRO HB2 1 8 ASN HA . . 5.130 5.239 5.160 5.352 0.222 14 0 "[ . 1 . 2]" 2
134 1 5 PRO HB2 1 16 LEU HB2 . . 3.010 2.469 2.218 2.762 . 0 0 "[ . 1 . 2]" 2
135 1 3 ALA MB 1 4 ALA HA . . 4.730 4.474 4.234 4.752 0.022 9 0 "[ . 1 . 2]" 2
136 1 8 ASN H 1 17 LYS HD2 . . 5.410 5.157 4.644 5.430 0.020 20 0 "[ . 1 . 2]" 2
137 1 17 LYS H 1 17 LYS HD2 . . 5.500 4.921 4.763 4.998 . 0 0 "[ . 1 . 2]" 2
138 1 15 HIS HA 1 16 LEU H . . 3.430 2.208 2.103 2.375 . 0 0 "[ . 1 . 2]" 2
139 1 19 ASP H 1 19 ASP HB2 . . 3.680 2.361 2.252 2.586 . 0 0 "[ . 1 . 2]" 2
140 1 6 LYS H 1 6 LYS QD . . 5.240 4.867 4.135 5.415 0.175 9 0 "[ . 1 . 2]" 2
141 1 6 LYS QD 1 7 CYS H . . 4.340 3.115 2.140 4.239 . 0 0 "[ . 1 . 2]" 2
142 1 6 LYS HB3 1 7 CYS H . . 4.530 2.966 2.262 4.349 . 0 0 "[ . 1 . 2]" 2
143 1 12 GLN HB3 1 13 ARG H . . 4.860 3.448 1.951 4.624 . 0 0 "[ . 1 . 2]" 2
144 1 13 ARG H 1 13 ARG HG3 . . 5.330 3.639 2.197 4.846 . 0 0 "[ . 1 . 2]" 2
145 1 18 LYS H 1 18 LYS HB3 . . 3.820 2.629 2.492 2.739 . 0 0 "[ . 1 . 2]" 2
146 1 15 HIS HB3 1 16 LEU H . . 4.540 4.459 4.365 4.580 0.040 11 0 "[ . 1 . 2]" 2
147 1 18 LYS H 1 18 LYS HB2 . . 3.820 3.616 3.588 3.634 . 0 0 "[ . 1 . 2]" 2
148 1 16 LEU H 1 16 LEU HB3 . . 4.040 2.553 2.463 2.639 . 0 0 "[ . 1 . 2]" 2
149 1 6 LYS H 1 6 LYS HB3 . . 3.830 3.458 2.857 4.057 0.227 5 0 "[ . 1 . 2]" 2
150 1 6 LYS QD 1 13 ARG H . . 4.740 4.420 3.393 4.884 0.144 20 0 "[ . 1 . 2]" 2
151 1 23 ILE H 1 23 ILE HG12 . . 4.060 3.512 2.135 4.504 0.444 13 0 "[ . 1 . 2]" 2
152 1 3 ALA MB 1 6 LYS QB . . 3.510 2.963 2.171 3.563 0.053 9 0 "[ . 1 . 2]" 2
153 1 3 ALA MB 1 16 LEU QD . . 4.670 4.005 3.000 4.996 0.326 2 0 "[ . 1 . 2]" 2
154 1 5 PRO HB2 1 16 LEU QD . . 3.320 3.398 3.036 3.701 0.381 18 0 "[ . 1 . 2]" 2
155 1 5 PRO HB3 1 16 LEU QD . . 4.070 3.808 3.413 4.124 0.054 3 0 "[ . 1 . 2]" 2
156 1 5 PRO HG2 1 16 LEU QD . . 3.230 2.794 2.375 3.312 0.082 7 0 "[ . 1 . 2]" 2
157 1 5 PRO HG3 1 16 LEU QD . . 3.680 2.451 2.230 2.988 . 0 0 "[ . 1 . 2]" 2
158 1 5 PRO HD3 1 16 LEU QD . . 4.040 4.151 3.844 4.754 0.714 7 3 "[ * . + 1 - . 2]" 2
159 1 6 LYS QB 1 6 LYS QD . . 2.650 2.401 2.086 2.607 . 0 0 "[ . 1 . 2]" 2
160 1 6 LYS QB 1 6 LYS QE . . 4.120 3.108 1.969 3.945 . 0 0 "[ . 1 . 2]" 2
161 1 6 LYS QB 1 7 CYS H . . 3.790 2.685 2.206 3.763 . 0 0 "[ . 1 . 2]" 2
162 1 6 LYS QB 1 7 CYS HA . . 5.340 4.851 4.466 5.193 . 0 0 "[ . 1 . 2]" 2
163 1 6 LYS QD 1 11 SER QB . . 4.220 3.386 2.411 4.301 0.081 14 0 "[ . 1 . 2]" 2
164 1 7 CYS HA 1 8 ASN QB . . 4.530 4.332 4.127 4.578 0.048 18 0 "[ . 1 . 2]" 2
165 1 8 ASN QB 1 9 ASN QB . . 4.840 3.734 3.146 4.288 . 0 0 "[ . 1 . 2]" 2
166 1 8 ASN QB 1 17 LYS HB3 . . 4.470 4.521 4.432 4.582 0.112 10 0 "[ . 1 . 2]" 2
167 1 8 ASN QB 1 17 LYS HG2 . . 3.150 3.030 2.943 3.209 0.059 18 0 "[ . 1 . 2]" 2
168 1 8 ASN QB 1 17 LYS HD2 . . 3.190 2.536 2.346 2.759 . 0 0 "[ . 1 . 2]" 2
169 1 8 ASN QB 1 17 LYS HD3 . . 3.490 3.495 3.328 3.672 0.182 14 0 "[ . 1 . 2]" 2
170 1 8 ASN QB 1 20 CYS HB3 . . 4.100 2.676 2.176 3.511 . 0 0 "[ . 1 . 2]" 2
171 1 9 ASN QB 1 10 CYS H . . 3.440 2.676 2.314 3.470 0.030 12 0 "[ . 1 . 2]" 2
172 1 12 GLN H 1 12 GLN QG . . 3.530 2.813 2.275 3.754 0.224 13 0 "[ . 1 . 2]" 2
173 1 12 GLN HA 1 12 GLN QG . . 3.550 2.652 2.336 3.496 . 0 0 "[ . 1 . 2]" 2
174 1 12 GLN QB 1 13 ARG H . . 4.250 3.051 1.932 4.085 . 0 0 "[ . 1 . 2]" 2
175 1 13 ARG H 1 13 ARG QG . . 4.630 3.117 2.084 4.233 . 0 0 "[ . 1 . 2]" 2
176 1 15 HIS HA 1 16 LEU QD . . 3.680 3.878 2.891 4.310 0.630 10 8 "[* -.* **+ .* * 2]" 2
177 1 15 HIS QB 1 16 LEU H . . 3.780 3.777 3.610 3.956 0.176 3 0 "[ . 1 . 2]" 2
178 1 15 HIS QB 1 19 ASP HA . . 4.760 4.190 3.845 4.625 . 0 0 "[ . 1 . 2]" 2
179 1 15 HIS QB 1 19 ASP HB2 . . 3.730 3.599 2.936 3.856 0.126 18 0 "[ . 1 . 2]" 2
180 1 15 HIS QB 1 19 ASP HB3 . . 4.030 2.504 2.212 3.015 . 0 0 "[ . 1 . 2]" 2
181 1 16 LEU H 1 16 LEU QD . . 3.340 2.674 1.717 3.075 . 0 0 "[ . 1 . 2]" 2
182 1 16 LEU HB2 1 16 LEU QD . . 2.860 2.202 2.118 2.460 . 0 0 "[ . 1 . 2]" 2
183 1 16 LEU HB3 1 16 LEU QD . . 2.620 2.217 2.139 2.335 . 0 0 "[ . 1 . 2]" 2
184 1 16 LEU QD 1 17 LYS H . . 3.390 2.799 2.462 2.952 . 0 0 "[ . 1 . 2]" 2
185 1 16 LEU QD 1 17 LYS HB3 . . 4.140 3.321 3.027 3.682 . 0 0 "[ . 1 . 2]" 2
186 1 16 LEU QD 1 17 LYS HG2 . . 5.090 5.255 5.044 5.409 0.319 18 0 "[ . 1 . 2]" 2
187 1 16 LEU QD 1 18 LYS H . . 4.010 2.348 2.217 2.549 . 0 0 "[ . 1 . 2]" 2
188 1 16 LEU QD 1 18 LYS QG . . 3.590 2.109 1.988 2.279 . 0 0 "[ . 1 . 2]" 2
189 1 16 LEU QD 1 19 ASP HB2 . . 3.010 2.463 2.162 3.369 0.359 15 0 "[ . 1 . 2]" 2
190 1 16 LEU QD 1 19 ASP HB3 . . 4.520 3.540 3.000 4.402 . 0 0 "[ . 1 . 2]" 2
191 1 17 LYS HB3 1 17 LYS QE . . 3.010 2.284 2.248 2.339 . 0 0 "[ . 1 . 2]" 2
192 1 17 LYS HB3 1 18 LYS QG . . 3.710 3.560 3.291 3.784 0.074 15 0 "[ . 1 . 2]" 2
193 1 17 LYS HD2 1 17 LYS QE . . 2.310 2.288 2.172 2.374 0.064 13 0 "[ . 1 . 2]" 2
194 1 17 LYS QE 1 18 LYS HA . . 3.180 3.018 2.787 3.177 . 0 0 "[ . 1 . 2]" 2
195 1 17 LYS QE 1 18 LYS HB3 . . 2.980 2.794 2.477 3.033 0.053 18 0 "[ . 1 . 2]" 2
196 1 18 LYS H 1 18 LYS QG . . 3.700 2.043 1.897 2.167 . 0 0 "[ . 1 . 2]" 2
197 1 18 LYS HA 1 18 LYS QG . . 3.420 3.370 3.361 3.383 . 0 0 "[ . 1 . 2]" 2
198 1 18 LYS QG 1 19 ASP H . . 4.010 2.897 2.503 3.240 . 0 0 "[ . 1 . 2]" 2
199 1 18 LYS QG 1 19 ASP HA . . 4.220 3.871 3.573 4.107 . 0 0 "[ . 1 . 2]" 2
200 1 18 LYS QG 1 19 ASP HB2 . . 3.810 3.717 3.447 3.835 0.025 7 0 "[ . 1 . 2]" 2
201 1 20 CYS HB2 1 21 PRO QD . . 3.580 3.434 2.441 3.776 0.196 14 0 "[ . 1 . 2]" 2
202 1 20 CYS HB3 1 21 PRO QD . . 4.380 2.510 1.969 3.983 . 0 0 "[ . 1 . 2]" 2
203 1 23 ILE HA 1 23 ILE QG . . 3.650 3.063 2.285 3.555 . 0 0 "[ . 1 . 2]" 2
204 1 31 THR MG 1 32 ASP H . . 3.710 2.676 1.884 3.339 . 0 0 "[ . 1 . 2]" 2
205 1 27 TYR H 1 27 TYR HB3 . . 4.120 3.660 2.902 4.063 . 0 0 "[ . 1 . 2]" 2
206 1 27 TYR H 1 27 TYR HB2 . . 4.120 3.076 2.276 3.760 . 0 0 "[ . 1 . 2]" 2
207 1 35 TYR H 1 35 TYR HB3 . . 3.670 2.960 2.396 3.719 0.049 8 0 "[ . 1 . 2]" 2
208 1 35 TYR H 1 35 TYR HB2 . . 3.670 3.217 2.489 3.778 0.108 12 0 "[ . 1 . 2]" 2
209 1 41 LYS H 1 41 LYS HB2 . . 3.850 2.674 2.420 3.847 . 0 0 "[ . 1 . 2]" 2
210 1 41 LYS H 1 41 LYS HB3 . . 3.850 3.386 2.497 3.818 . 0 0 "[ . 1 . 2]" 2
211 1 31 THR H 1 31 THR MG . . 3.950 2.407 1.834 3.728 . 0 0 "[ . 1 . 2]" 2
212 1 30 ALA H 1 30 ALA MB . . 3.170 2.396 2.189 2.688 . 0 0 "[ . 1 . 2]" 2
213 1 30 ALA MB 1 31 THR H . . 3.460 2.933 2.200 3.574 0.114 17 0 "[ . 1 . 2]" 2
214 1 24 ILE H 1 24 ILE HB . . 3.760 3.177 2.395 3.772 0.012 9 0 "[ . 1 . 2]" 2
215 1 24 ILE H 1 24 ILE HG13 . . 3.810 2.706 1.867 3.829 0.019 20 0 "[ . 1 . 2]" 2
216 1 24 ILE H 1 24 ILE HG12 . . 3.810 2.804 1.882 3.782 . 0 0 "[ . 1 . 2]" 2
217 1 27 TYR HA 1 27 TYR QD . . 3.390 2.564 2.057 2.938 . 0 0 "[ . 1 . 2]" 2
218 1 27 TYR QD 1 43 ILE MG . . 4.380 3.373 2.310 4.405 0.025 2 0 "[ . 1 . 2]" 2
219 1 43 ILE H 1 43 ILE MD . . 4.200 3.907 2.833 4.271 0.071 10 0 "[ . 1 . 2]" 2
220 1 43 ILE H 1 43 ILE MG . . 4.090 3.910 3.734 4.083 . 0 0 "[ . 1 . 2]" 2
221 1 34 HIS H 1 34 HIS HB3 . . 4.050 2.598 2.262 3.014 . 0 0 "[ . 1 . 2]" 2
222 1 39 CYS HA 1 40 PRO HA . . 4.870 4.573 4.257 4.802 . 0 0 "[ . 1 . 2]" 2
223 1 24 ILE MD 1 30 ALA HA . . 4.100 3.412 2.332 4.134 0.034 1 0 "[ . 1 . 2]" 2
224 1 24 ILE MG 1 29 GLY HA3 . . 4.580 3.210 2.113 4.617 0.037 14 0 "[ . 1 . 2]" 2
225 1 24 ILE HA 1 24 ILE HG12 . . 3.990 3.225 2.589 3.791 . 0 0 "[ . 1 . 2]" 2
226 1 24 ILE HA 1 24 ILE HG13 . . 3.990 3.582 2.820 3.913 . 0 0 "[ . 1 . 2]" 2
227 1 30 ALA MB 1 33 ASP HB3 . . 4.690 3.212 2.183 4.718 0.028 7 0 "[ . 1 . 2]" 2
228 1 39 CYS HB3 1 40 PRO HB3 . . 4.590 4.554 3.847 5.014 0.424 11 0 "[ . 1 . 2]" 2
229 1 39 CYS HB3 1 40 PRO HD3 . . 3.440 2.202 1.981 2.737 . 0 0 "[ . 1 . 2]" 2
230 1 39 CYS HB3 1 40 PRO HD2 . . 3.440 2.870 2.131 3.698 0.258 20 0 "[ . 1 . 2]" 2
231 1 39 CYS HB2 1 40 PRO HD3 . . 3.610 3.153 2.102 3.780 0.170 9 0 "[ . 1 . 2]" 2
232 1 39 CYS HB2 1 40 PRO HD2 . . 3.610 3.399 2.345 3.796 0.186 19 0 "[ . 1 . 2]" 2
233 1 24 ILE HB 1 24 ILE MD . . 3.370 2.529 2.337 3.294 . 0 0 "[ . 1 . 2]" 2
234 1 30 ALA MB 1 31 THR MG . . 3.880 3.805 3.385 4.062 0.182 16 0 "[ . 1 . 2]" 2
235 1 43 ILE HA 1 43 ILE HG12 . . 4.070 2.708 2.354 3.288 . 0 0 "[ . 1 . 2]" 2
236 1 31 THR MG 1 32 ASP HA . . 4.960 3.952 3.434 4.914 . 0 0 "[ . 1 . 2]" 2
237 1 43 ILE HA 1 43 ILE HG13 . . 4.070 3.243 2.761 3.875 . 0 0 "[ . 1 . 2]" 2
238 1 24 ILE MG 1 31 THR MG . . 4.330 4.243 3.623 4.444 0.114 1 0 "[ . 1 . 2]" 2
239 1 24 ILE MG 1 42 ALA MB . . 5.500 4.993 4.112 5.506 0.006 10 0 "[ . 1 . 2]" 2
240 1 42 ALA MB 1 43 ILE MG . . 5.500 4.843 4.397 5.412 . 0 0 "[ . 1 . 2]" 2
241 1 43 ILE H 1 43 ILE HB . . 3.920 2.805 2.421 3.758 . 0 0 "[ . 1 . 2]" 2
242 1 43 ILE HA 1 43 ILE MD . . 3.820 3.455 2.120 3.951 0.131 16 0 "[ . 1 . 2]" 2
243 1 41 LYS HA 1 42 ALA MB . . 4.670 4.449 3.639 4.809 0.139 8 0 "[ . 1 . 2]" 2
244 1 30 ALA HA 1 31 THR HB . . 5.070 4.447 4.084 5.158 0.088 16 0 "[ . 1 . 2]" 2
245 1 30 ALA HA 1 31 THR MG . . 4.330 4.023 3.473 4.478 0.148 14 0 "[ . 1 . 2]" 2
246 1 34 HIS H 1 34 HIS HB2 . . 4.050 2.961 2.203 3.672 . 0 0 "[ . 1 . 2]" 2
247 1 27 TYR QD 1 43 ILE HB . . 5.250 4.664 3.308 5.331 0.081 18 0 "[ . 1 . 2]" 2
248 1 30 ALA MB 1 33 ASP HB2 . . 4.690 3.982 2.529 4.744 0.054 17 0 "[ . 1 . 2]" 2
249 1 42 ALA MB 1 43 ILE H . . 3.650 2.719 1.862 3.702 0.052 18 0 "[ . 1 . 2]" 2
250 1 41 LYS HB2 1 42 ALA MB . . 5.270 4.717 3.934 5.290 0.020 18 0 "[ . 1 . 2]" 2
251 1 41 LYS HB3 1 42 ALA MB . . 5.270 4.653 3.265 5.310 0.040 20 0 "[ . 1 . 2]" 2
252 1 27 TYR QD 1 43 ILE MD . . 4.360 3.596 2.295 4.410 0.050 7 0 "[ . 1 . 2]" 2
253 1 30 ALA HA 1 43 ILE MD . . 4.410 3.475 2.436 4.423 0.013 16 0 "[ . 1 . 2]" 2
254 1 42 ALA HA 1 43 ILE MD . . 5.500 5.338 4.379 5.641 0.141 3 0 "[ . 1 . 2]" 2
255 1 43 ILE HB 1 43 ILE MD . . 3.270 2.662 2.276 3.304 0.034 9 0 "[ . 1 . 2]" 2
256 1 43 ILE MD 1 43 ILE MG . . 3.040 2.101 2.048 2.186 . 0 0 "[ . 1 . 2]" 2
257 1 43 ILE HG12 1 43 ILE MG . . 3.290 2.609 2.221 3.235 . 0 0 "[ . 1 . 2]" 2
258 1 43 ILE HG13 1 43 ILE MG . . 3.290 3.004 2.277 3.254 . 0 0 "[ . 1 . 2]" 2
259 1 24 ILE H 1 24 ILE MG . . 4.290 3.535 2.300 4.091 . 0 0 "[ . 1 . 2]" 2
260 1 24 ILE MG 1 28 CYS H . . 4.580 4.040 2.681 4.671 0.091 11 0 "[ . 1 . 2]" 2
261 1 24 ILE H 1 24 ILE MD . . 4.070 3.786 2.680 4.206 0.136 9 0 "[ . 1 . 2]" 2
262 1 24 ILE MG 1 29 GLY H . . 4.270 3.563 2.656 4.419 0.149 3 0 "[ . 1 . 2]" 2
263 1 24 ILE MD 1 31 THR HB . . 4.160 2.678 2.082 4.102 . 0 0 "[ . 1 . 2]" 2
264 1 24 ILE MD 1 31 THR MG . . 3.830 3.399 2.551 3.855 0.025 6 0 "[ . 1 . 2]" 2
265 1 33 ASP HB3 1 34 HIS H . . 4.710 4.058 2.803 4.564 . 0 0 "[ . 1 . 2]" 2
266 1 33 ASP HB2 1 34 HIS H . . 4.710 4.316 3.153 4.628 . 0 0 "[ . 1 . 2]" 2
267 1 42 ALA H 1 42 ALA MB . . 3.050 2.495 2.164 2.917 . 0 0 "[ . 1 . 2]" 2
268 1 24 ILE MG 1 29 GLY HA2 . . 4.580 4.194 3.386 4.653 0.073 10 0 "[ . 1 . 2]" 2
269 1 24 ILE H 1 24 ILE QG . . 3.340 2.242 1.831 2.670 . 0 0 "[ . 1 . 2]" 2
270 1 24 ILE HA 1 24 ILE QG . . 3.490 2.987 2.394 3.390 . 0 0 "[ . 1 . 2]" 2
271 1 24 ILE QG 1 31 THR MG . . 4.380 3.974 2.493 4.445 0.065 14 0 "[ . 1 . 2]" 2
272 1 24 ILE MD 1 29 GLY QA . . 5.280 4.789 3.524 5.313 0.033 12 0 "[ . 1 . 2]" 2
273 1 26 SER H 1 26 SER QB . . 3.710 2.981 2.213 3.432 . 0 0 "[ . 1 . 2]" 2
274 1 26 SER QB 1 27 TYR H . . 4.370 3.398 2.031 4.059 . 0 0 "[ . 1 . 2]" 2
275 1 29 GLY QA 1 42 ALA MB . . 3.770 2.496 1.889 3.772 0.002 11 0 "[ . 1 . 2]" 2
276 1 29 GLY QA 1 43 ILE QG . . 4.600 3.288 2.003 4.609 0.009 9 0 "[ . 1 . 2]" 2
277 1 30 ALA H 1 34 HIS QB . . 4.810 2.972 1.882 4.837 0.027 2 0 "[ . 1 . 2]" 2
278 1 30 ALA HA 1 43 ILE QG . . 4.190 4.082 3.486 4.349 0.159 1 0 "[ . 1 . 2]" 2
279 1 30 ALA MB 1 33 ASP QB . . 4.130 2.957 2.154 4.144 0.014 7 0 "[ . 1 . 2]" 2
280 1 30 ALA MB 1 34 HIS QB . . 4.110 3.877 2.394 4.225 0.115 19 0 "[ . 1 . 2]" 2
281 1 30 ALA MB 1 43 ILE QG . . 4.310 3.602 2.664 4.398 0.088 9 0 "[ . 1 . 2]" 2
282 1 31 THR MG 1 32 ASP QB . . 3.740 3.224 2.718 3.767 0.027 15 0 "[ . 1 . 2]" 2
283 1 33 ASP QB 1 34 HIS H . . 4.050 3.662 2.753 4.058 0.008 9 0 "[ . 1 . 2]" 2
284 1 34 HIS H 1 34 HIS QB . . 3.470 2.404 2.079 2.754 . 0 0 "[ . 1 . 2]" 2
285 1 35 TYR H 1 35 TYR QB . . 3.190 2.686 2.173 2.867 . 0 0 "[ . 1 . 2]" 2
286 1 39 CYS HB3 1 40 PRO QD . . 2.900 2.102 1.899 2.661 . 0 0 "[ . 1 . 2]" 2
287 1 41 LYS H 1 41 LYS QB . . 3.370 2.505 2.287 2.915 . 0 0 "[ . 1 . 2]" 2
288 1 41 LYS QB 1 42 ALA H . . 4.270 3.372 2.107 3.949 . 0 0 "[ . 1 . 2]" 2
289 1 41 LYS QB 1 42 ALA HA . . 4.920 4.427 4.177 4.985 0.065 14 0 "[ . 1 . 2]" 2
290 1 41 LYS QB 1 42 ALA MB . . 4.490 4.057 3.206 4.518 0.028 4 0 "[ . 1 . 2]" 2
291 1 42 ALA HA 1 43 ILE QG . . 4.930 4.191 3.268 4.931 0.001 5 0 "[ . 1 . 2]" 2
292 1 42 ALA MB 1 43 ILE QG . . 4.390 2.784 2.196 3.512 . 0 0 "[ . 1 . 2]" 2
293 1 43 ILE H 1 43 ILE QG . . 4.010 2.683 2.046 3.175 . 0 0 "[ . 1 . 2]" 2
294 1 43 ILE HB 1 43 ILE QG . . 2.610 2.345 2.163 2.519 . 0 0 "[ . 1 . 2]" 2
295 1 43 ILE QG 1 43 ILE MG . . 2.880 2.323 2.181 2.412 . 0 0 "[ . 1 . 2]" 2
296 1 44 GLN HA 1 52 GLY H . . 4.130 4.109 2.432 4.415 0.285 13 0 "[ . 1 . 2]" 2
297 1 51 VAL MG2 1 52 GLY H . . 4.420 3.166 2.045 4.373 . 0 0 "[ . 1 . 2]" 2
298 1 51 VAL MG1 1 52 GLY H . . 4.420 3.988 2.693 4.488 0.068 2 0 "[ . 1 . 2]" 2
299 1 51 VAL HB 1 52 GLY H . . 4.100 3.943 2.477 4.371 0.271 15 0 "[ . 1 . 2]" 2
300 1 51 VAL H 1 51 VAL HB . . 4.060 3.625 2.641 3.959 . 0 0 "[ . 1 . 2]" 2
301 1 51 VAL H 1 51 VAL MG2 . . 3.570 2.197 1.818 3.015 . 0 0 "[ . 1 . 2]" 2
302 1 51 VAL H 1 51 VAL MG1 . . 3.570 2.802 2.248 3.765 0.195 4 0 "[ . 1 . 2]" 2
303 1 53 HIS HB2 1 54 TYR H . . 4.570 3.424 1.915 4.566 . 0 0 "[ . 1 . 2]" 2
304 1 53 HIS HA 1 54 TYR HA . . 4.850 4.467 3.961 4.823 . 0 0 "[ . 1 . 2]" 2
305 1 44 GLN HA 1 51 VAL MG2 . . 4.330 3.862 2.891 4.608 0.278 17 0 "[ . 1 . 2]" 2
306 1 44 GLN HA 1 51 VAL MG1 . . 4.330 3.381 2.365 4.625 0.295 16 0 "[ . 1 . 2]" 2
307 1 44 GLN HA 1 50 GLU HA . . 3.790 2.677 1.955 3.869 0.079 4 0 "[ . 1 . 2]" 2
308 1 50 GLU HA 1 50 GLU HG3 . . 4.150 3.113 2.346 3.896 . 0 0 "[ . 1 . 2]" 2
309 1 50 GLU HA 1 50 GLU HG2 . . 4.150 2.870 2.333 3.806 . 0 0 "[ . 1 . 2]" 2
310 1 51 VAL HA 1 51 VAL MG2 . . 3.250 3.153 2.487 3.282 0.032 1 0 "[ . 1 . 2]" 2
311 1 51 VAL HA 1 51 VAL MG1 . . 3.250 2.307 2.182 2.450 . 0 0 "[ . 1 . 2]" 2
312 1 51 VAL HB 1 57 GLN HA . . 4.050 3.497 2.321 4.176 0.126 14 0 "[ . 1 . 2]" 2
313 1 54 TYR HA 1 55 ARG H . . 3.500 2.263 2.015 3.236 . 0 0 "[ . 1 . 2]" 2
314 1 44 GLN HA 1 49 ASP HA . . 4.970 4.860 4.310 5.204 0.234 17 0 "[ . 1 . 2]" 2
315 1 44 GLN HA 1 51 VAL HA . . 4.520 3.508 2.412 4.596 0.076 6 0 "[ . 1 . 2]" 2
316 1 53 HIS HB3 1 54 TYR H . . 4.570 3.949 2.159 4.557 . 0 0 "[ . 1 . 2]" 2
317 1 53 HIS HA 1 54 TYR H . . 3.320 2.916 2.093 3.446 0.126 13 0 "[ . 1 . 2]" 2
318 1 44 GLN HA 1 50 GLU H . . 4.310 3.834 3.068 4.407 0.097 3 0 "[ . 1 . 2]" 2
319 1 44 GLN HA 1 45 CYS QB . . 4.710 4.296 3.929 4.635 . 0 0 "[ . 1 . 2]" 2
320 1 44 GLN HA 1 51 VAL QG . . 3.790 3.074 2.335 4.001 0.211 17 0 "[ . 1 . 2]" 2
321 1 44 GLN QB 1 45 CYS H . . 4.070 2.486 2.100 2.764 . 0 0 "[ . 1 . 2]" 2
322 1 44 GLN QB 1 45 CYS HA . . 4.720 4.540 4.116 4.766 0.046 14 0 "[ . 1 . 2]" 2
323 1 44 GLN QB 1 49 ASP HA . . 4.340 3.000 2.400 4.008 . 0 0 "[ . 1 . 2]" 2
324 1 44 GLN QB 1 49 ASP QB . . 4.650 4.292 3.778 4.737 0.087 3 0 "[ . 1 . 2]" 2
325 1 44 GLN QB 1 50 GLU HA . . 4.060 2.793 1.971 4.125 0.065 4 0 "[ . 1 . 2]" 2
326 1 44 GLN QB 1 50 GLU QB . . 4.840 4.313 3.495 4.870 0.030 4 0 "[ . 1 . 2]" 2
327 1 45 CYS H 1 45 CYS QB . . 3.610 2.499 2.072 3.106 . 0 0 "[ . 1 . 2]" 2
328 1 45 CYS QB 1 46 SER H . . 3.980 2.974 2.135 3.833 . 0 0 "[ . 1 . 2]" 2
329 1 45 CYS QB 1 51 VAL QG . . 4.130 3.715 2.193 5.149 1.019 9 4 "[ . *-+1 . * 2]" 2
330 1 47 LYS H 1 47 LYS QB . . 3.700 2.722 2.249 3.417 . 0 0 "[ . 1 . 2]" 2
331 1 47 LYS H 1 47 LYS QG . . 4.350 3.184 2.232 4.267 . 0 0 "[ . 1 . 2]" 2
332 1 47 LYS HA 1 47 LYS QG . . 3.690 2.658 2.200 3.402 . 0 0 "[ . 1 . 2]" 2
333 1 47 LYS HA 1 47 LYS QE . . 4.620 3.931 2.560 4.654 0.034 7 0 "[ . 1 . 2]" 2
334 1 47 LYS QB 1 47 LYS QG . . 2.350 2.090 1.996 2.130 . 0 0 "[ . 1 . 2]" 2
335 1 47 LYS QB 1 47 LYS QE . . 2.500 2.097 2.033 2.202 . 0 0 "[ . 1 . 2]" 2
336 1 47 LYS QE 1 47 LYS QG . . 2.550 2.355 2.222 2.643 0.093 7 0 "[ . 1 . 2]" 2
337 1 50 GLU HA 1 50 GLU QG . . 3.480 2.561 2.280 3.374 . 0 0 "[ . 1 . 2]" 2
338 1 50 GLU HA 1 51 VAL QG . . 4.740 3.638 3.366 4.110 . 0 0 "[ . 1 . 2]" 2
339 1 51 VAL H 1 51 VAL QG . . 3.020 2.055 1.813 2.629 . 0 0 "[ . 1 . 2]" 2
340 1 51 VAL HA 1 51 VAL QG . . 2.810 2.245 2.105 2.383 . 0 0 "[ . 1 . 2]" 2
341 1 51 VAL HA 1 52 GLY QA . . 4.920 4.299 3.898 4.541 . 0 0 "[ . 1 . 2]" 2
342 1 51 VAL QG 1 52 GLY H . . 3.470 2.871 2.041 3.760 0.290 20 0 "[ . 1 . 2]" 2
343 1 51 VAL QG 1 52 GLY QA . . 3.700 3.434 2.887 4.164 0.464 20 0 "[ . 1 . 2]" 2
344 1 51 VAL QG 1 57 GLN HA . . 3.850 3.738 2.539 4.481 0.631 1 3 "[+ -. 1 * 2]" 2
345 1 51 VAL QG 1 57 GLN QB . . 4.050 3.615 2.187 5.184 1.134 14 4 "[ .* 1 * +. - 2]" 2
346 1 53 HIS QB 1 54 TYR H . . 3.840 3.129 1.905 3.919 0.079 17 0 "[ . 1 . 2]" 2
347 1 57 GLN HA 1 57 GLN QB . . 2.630 2.316 2.107 2.525 . 0 0 "[ . 1 . 2]" 2
348 1 57 GLN QB 1 58 CYS H . . 4.050 3.347 2.410 4.046 . 0 0 "[ . 1 . 2]" 2
349 1 69 LEU H 1 69 LEU HB3 . . 4.140 2.946 2.060 3.651 . 0 0 "[ . 1 . 2]" 2
350 1 69 LEU H 1 69 LEU HB2 . . 4.140 3.266 2.156 3.881 . 0 0 "[ . 1 . 2]" 2
351 1 69 LEU H 1 69 LEU HG . . 4.100 3.024 2.025 4.212 0.112 14 0 "[ . 1 . 2]" 2
352 1 69 LEU H 1 69 LEU MD1 . . 4.280 3.457 2.003 4.249 . 0 0 "[ . 1 . 2]" 2
353 1 78 GLU H 1 78 GLU QG . . 4.140 3.018 2.055 4.289 0.149 16 0 "[ . 1 . 2]" 2
354 1 69 LEU MD2 1 70 CYS H . . 5.270 4.179 2.141 5.309 0.039 13 0 "[ . 1 . 2]" 2
355 1 82 SER H 1 82 SER QB . . 3.920 2.644 2.345 3.398 . 0 0 "[ . 1 . 2]" 2
356 1 81 PRO HB3 1 82 SER H . . 4.150 3.949 2.772 4.314 0.164 8 0 "[ . 1 . 2]" 2
357 1 81 PRO HB2 1 82 SER H . . 3.730 3.165 2.581 3.660 . 0 0 "[ . 1 . 2]" 2
358 1 70 CYS HA 1 71 LYS H . . 3.560 2.399 2.149 3.431 . 0 0 "[ . 1 . 2]" 2
359 1 71 LYS H 1 71 LYS HB3 . . 3.900 3.312 2.306 4.037 0.137 13 0 "[ . 1 . 2]" 2
360 1 70 CYS HB2 1 71 LYS H . . 4.150 3.796 3.085 4.164 0.014 11 0 "[ . 1 . 2]" 2
361 1 65 VAL H 1 65 VAL MG2 . . 3.830 3.034 1.895 3.931 0.101 18 0 "[ . 1 . 2]" 2
362 1 65 VAL H 1 65 VAL MG1 . . 3.830 2.825 2.040 3.855 0.025 11 0 "[ . 1 . 2]" 2
363 1 98 PRO HB3 1 99 LYS H . . 4.440 3.672 2.464 4.544 0.104 1 0 "[ . 1 . 2]" 2
364 1 95 LYS HB3 1 96 ALA H . . 4.620 3.554 1.992 4.538 . 0 0 "[ . 1 . 2]" 2
365 1 67 CYS H 1 67 CYS QB . . 3.770 2.529 2.351 2.844 . 0 0 "[ . 1 . 2]" 2
366 1 87 TYR H 1 87 TYR HB2 . . 3.680 2.955 2.282 3.803 0.123 5 0 "[ . 1 . 2]" 2
367 1 86 ALA MB 1 87 TYR H . . 3.480 2.878 2.327 3.606 0.126 17 0 "[ . 1 . 2]" 2
368 1 67 CYS HA 1 68 THR HB . . 4.860 4.850 4.422 5.221 0.361 18 0 "[ . 1 . 2]" 2
369 1 70 CYS HA 1 71 LYS HA . . 5.240 4.549 4.340 5.292 0.052 1 0 "[ . 1 . 2]" 2
370 1 65 VAL HA 1 65 VAL MG2 . . 3.190 2.592 2.231 3.264 0.074 8 0 "[ . 1 . 2]" 2
371 1 78 GLU HA 1 78 GLU QG . . 3.610 2.653 2.298 3.378 . 0 0 "[ . 1 . 2]" 2
372 1 69 LEU HB3 1 69 LEU MD2 . . 3.480 2.379 2.195 3.244 . 0 0 "[ . 1 . 2]" 2
373 1 69 LEU HB3 1 69 LEU MD1 . . 3.480 2.834 2.204 3.268 . 0 0 "[ . 1 . 2]" 2
374 1 99 LYS HB2 1 99 LYS HD3 . . 3.850 3.014 2.486 3.853 0.003 20 0 "[ . 1 . 2]" 2
375 1 99 LYS HB2 1 99 LYS HD2 . . 3.850 2.957 2.433 3.765 . 0 0 "[ . 1 . 2]" 2
376 1 71 LYS HA 1 71 LYS HD2 . . 3.150 2.556 2.134 2.995 . 0 0 "[ . 1 . 2]" 2
377 1 67 CYS QB 1 69 LEU MD2 . . 4.710 3.723 2.081 4.673 . 0 0 "[ . 1 . 2]" 2
378 1 67 CYS QB 1 69 LEU MD1 . . 4.710 4.019 3.283 4.589 . 0 0 "[ . 1 . 2]" 2
379 1 67 CYS QB 1 68 THR MG . . 4.460 4.035 3.642 4.313 . 0 0 "[ . 1 . 2]" 2
380 1 69 LEU HA 1 69 LEU HG . . 3.840 3.537 2.502 4.188 0.348 2 0 "[ . 1 . 2]" 2
381 1 69 LEU HB2 1 69 LEU MD2 . . 3.480 2.822 2.362 3.267 . 0 0 "[ . 1 . 2]" 2
382 1 69 LEU HB2 1 69 LEU MD1 . . 3.480 2.380 2.229 3.106 . 0 0 "[ . 1 . 2]" 2
383 1 65 VAL HA 1 65 VAL MG1 . . 3.190 2.815 2.290 3.271 0.081 10 0 "[ . 1 . 2]" 2
384 1 96 ALA H 1 96 ALA MB . . 3.360 2.484 2.207 2.953 . 0 0 "[ . 1 . 2]" 2
385 1 71 LYS HA 1 71 LYS HD3 . . 3.150 2.722 2.118 3.158 0.008 8 0 "[ . 1 . 2]" 2
386 1 95 LYS HB2 1 96 ALA HA . . 5.010 4.835 4.457 5.143 0.133 6 0 "[ . 1 . 2]" 2
387 1 69 LEU H 1 69 LEU MD2 . . 4.280 3.022 1.705 4.305 0.025 13 0 "[ . 1 . 2]" 2
388 1 69 LEU MD1 1 70 CYS H . . 5.270 4.207 3.102 5.281 0.011 17 0 "[ . 1 . 2]" 2
389 1 71 LYS H 1 71 LYS HB2 . . 3.900 2.887 2.450 3.561 . 0 0 "[ . 1 . 2]" 2
390 1 70 CYS HB3 1 71 LYS H . . 4.150 2.932 2.132 4.271 0.121 5 0 "[ . 1 . 2]" 2
391 1 81 PRO HB2 1 82 SER HA . . 4.490 4.375 4.012 4.629 0.139 13 0 "[ . 1 . 2]" 2
392 1 95 LYS HB2 1 96 ALA H . . 4.530 3.321 2.324 4.450 . 0 0 "[ . 1 . 2]" 2
393 1 68 THR HA 1 68 THR MG . . 3.230 3.045 2.352 3.302 0.072 16 0 "[ . 1 . 2]" 2
394 1 87 TYR H 1 87 TYR HB3 . . 3.680 3.091 2.465 3.794 0.114 18 0 "[ . 1 . 2]" 2
395 1 99 LYS HB3 1 99 LYS HD2 . . 3.850 3.224 2.477 3.854 0.004 19 0 "[ . 1 . 2]" 2
396 1 99 LYS HB3 1 99 LYS HD3 . . 3.850 2.910 2.431 3.739 . 0 0 "[ . 1 . 2]" 2
397 1 96 ALA H 1 97 LYS H . . 4.730 4.012 2.148 4.664 . 0 0 "[ . 1 . 2]" 2
398 1 63 LYS H 1 64 LYS H . . 4.480 3.679 2.485 4.617 0.137 4 0 "[ . 1 . 2]" 2
399 1 65 VAL H 1 65 VAL QG . . 3.350 2.269 1.840 3.243 . 0 0 "[ . 1 . 2]" 2
400 1 65 VAL HA 1 65 VAL QG . . 2.670 2.256 2.115 2.441 . 0 0 "[ . 1 . 2]" 2
401 1 65 VAL QG 1 67 CYS H . . 3.250 2.256 1.715 3.184 . 0 0 "[ . 1 . 2]" 2
402 1 65 VAL QG 1 67 CYS QB . . 2.990 2.708 2.344 3.765 0.775 9 2 "[ . -+1 . 2]" 2
403 1 65 VAL QG 1 70 CYS QB . . 2.690 2.221 1.890 3.139 0.449 9 0 "[ . 1 . 2]" 2
404 1 65 VAL QG 1 71 LYS HA . . 3.850 3.533 2.348 4.307 0.457 16 0 "[ . 1 . 2]" 2
405 1 67 CYS HA 1 69 LEU QD . . 4.340 4.603 3.585 5.448 1.108 8 8 "[* *.- + 1 ** . **2]" 2
406 1 67 CYS HA 1 70 CYS QB . . 5.030 4.918 4.464 5.085 0.055 7 0 "[ . 1 . 2]" 2
407 1 67 CYS QB 1 69 LEU QD . . 3.580 3.148 2.078 4.033 0.453 1 0 "[ . 1 . 2]" 2
408 1 67 CYS QB 1 70 CYS QB . . 3.670 2.189 1.907 2.522 . 0 0 "[ . 1 . 2]" 2
409 1 68 THR HA 1 69 LEU QD . . 4.930 4.961 4.449 5.937 1.007 14 5 "[ -. 1 * +.* *2]" 2
410 1 69 LEU H 1 69 LEU QB . . 3.610 2.550 1.961 3.064 . 0 0 "[ . 1 . 2]" 2
411 1 69 LEU H 1 69 LEU QD . . 3.670 2.616 1.703 3.810 0.140 13 0 "[ . 1 . 2]" 2
412 1 69 LEU HA 1 69 LEU QD . . 3.750 3.104 2.194 3.470 . 0 0 "[ . 1 . 2]" 2
413 1 69 LEU QB 1 69 LEU QD . . 2.650 1.953 1.917 2.071 . 0 0 "[ . 1 . 2]" 2
414 1 69 LEU QD 1 70 CYS H . . 4.450 3.414 2.137 4.360 . 0 0 "[ . 1 . 2]" 2
415 1 70 CYS HA 1 71 LYS QB . . 4.510 4.284 3.792 4.681 0.171 5 0 "[ . 1 . 2]" 2
416 1 70 CYS QB 1 71 LYS H . . 3.640 2.769 2.106 3.620 . 0 0 "[ . 1 . 2]" 2
417 1 71 LYS H 1 71 LYS QD . . 4.820 4.002 2.726 4.649 . 0 0 "[ . 1 . 2]" 2
418 1 71 LYS HA 1 71 LYS QD . . 2.730 2.192 2.076 2.312 . 0 0 "[ . 1 . 2]" 2
419 1 71 LYS QB 1 71 LYS QD . . 2.600 2.389 2.306 2.471 . 0 0 "[ . 1 . 2]" 2
420 1 78 GLU H 1 78 GLU QB . . 3.670 2.817 2.199 3.419 . 0 0 "[ . 1 . 2]" 2
421 1 99 LYS HA 1 99 LYS QD . . 4.520 3.996 2.120 4.523 0.003 17 0 "[ . 1 . 2]" 2
422 1 99 LYS QB 1 99 LYS QD . . 2.770 2.246 2.118 2.396 . 0 0 "[ . 1 . 2]" 2
423 1 110 ASN HB3 1 111 CYS H . . 4.160 3.486 2.406 4.310 0.150 13 0 "[ . 1 . 2]" 2
424 1 116 HIS HA 1 118 GLY H . . 3.940 4.152 3.911 4.336 0.396 18 0 "[ . 1 . 2]" 2
425 1 117 PHE HB3 1 118 GLY H . . 4.390 4.465 4.201 4.606 0.216 10 0 "[ . 1 . 2]" 2
426 1 102 PRO HB3 1 103 PHE H . . 4.410 3.584 2.650 4.437 0.027 4 0 "[ . 1 . 2]" 2
427 1 102 PRO HB2 1 103 PHE H . . 4.410 3.315 2.515 4.030 . 0 0 "[ . 1 . 2]" 2
428 1 116 HIS HA 1 117 PHE H . . 3.350 2.552 2.023 3.563 0.213 15 0 "[ . 1 . 2]" 2
429 1 117 PHE H 1 117 PHE HB3 . . 4.090 3.494 2.600 3.855 . 0 0 "[ . 1 . 2]" 2
430 1 117 PHE H 1 117 PHE HB2 . . 4.090 2.999 2.172 3.608 . 0 0 "[ . 1 . 2]" 2
431 1 116 HIS HB3 1 117 PHE H . . 3.850 3.810 3.402 4.196 0.346 11 0 "[ . 1 . 2]" 2
432 1 108 CYS H 1 108 CYS HB3 . . 3.600 2.923 2.089 3.650 0.050 7 0 "[ . 1 . 2]" 2
433 1 114 LYS H 1 114 LYS HB2 . . 3.750 3.070 2.414 3.984 0.234 12 0 "[ . 1 . 2]" 2
434 1 114 LYS H 1 114 LYS QG . . 3.870 3.046 2.015 4.078 0.208 9 0 "[ . 1 . 2]" 2
435 1 114 LYS H 1 114 LYS HB3 . . 3.750 3.077 2.274 3.876 0.126 2 0 "[ . 1 . 2]" 2
436 1 120 ASP H 1 120 ASP HB2 . . 3.680 2.982 2.582 3.770 0.090 5 0 "[ . 1 . 2]" 2
437 1 121 CYS H 1 121 CYS HB3 . . 3.720 2.538 2.269 3.751 0.031 7 0 "[ . 1 . 2]" 2
438 1 121 CYS H 1 121 CYS HB2 . . 3.720 2.962 2.271 3.642 . 0 0 "[ . 1 . 2]" 2
439 1 116 HIS HD1 1 121 CYS HB3 . . 4.980 4.682 3.583 5.147 0.167 20 0 "[ . 1 . 2]" 2
440 1 116 HIS H 1 116 HIS HB2 . . 4.140 3.814 3.548 4.025 . 0 0 "[ . 1 . 2]" 2
441 1 116 HIS HA 1 117 PHE HA . . 4.440 4.403 4.209 4.614 0.174 14 0 "[ . 1 . 2]" 2
442 1 114 LYS HA 1 114 LYS QG . . 3.490 2.821 2.276 3.536 0.046 12 0 "[ . 1 . 2]" 2
443 1 108 CYS HA 1 114 LYS HA . . 4.330 4.153 2.207 4.551 0.221 16 0 "[ . 1 . 2]" 2
444 1 108 CYS H 1 108 CYS HB2 . . 3.600 3.040 2.306 3.786 0.186 20 0 "[ . 1 . 2]" 2
445 1 110 ASN H 1 110 ASN HB3 . . 3.980 3.232 2.448 3.874 . 0 0 "[ . 1 . 2]" 2
446 1 107 TYR HA 1 107 TYR HD2 . . 4.160 4.223 3.124 4.625 0.465 14 0 "[ . 1 . 2]" 2
447 1 109 TYR HA 1 110 ASN HA . . 4.980 4.697 4.384 4.883 . 0 0 "[ . 1 . 2]" 2
448 1 108 CYS H 1 114 LYS HA . . 3.210 2.754 2.216 3.263 0.053 7 0 "[ . 1 . 2]" 2
449 1 110 ASN HB2 1 111 CYS H . . 4.160 3.679 2.963 4.295 0.135 16 0 "[ . 1 . 2]" 2
450 1 116 HIS HB2 1 117 PHE H . . 3.910 2.617 1.856 3.492 . 0 0 "[ . 1 . 2]" 2
451 1 107 TYR HA 1 107 TYR HD1 . . 4.610 3.215 2.299 4.325 . 0 0 "[ . 1 . 2]" 2
452 1 117 PHE HB2 1 118 GLY H . . 4.390 4.316 4.071 4.569 0.179 13 0 "[ . 1 . 2]" 2
453 1 110 ASN H 1 110 ASN HB2 . . 3.980 2.688 2.328 3.666 . 0 0 "[ . 1 . 2]" 2
454 1 116 HIS H 1 116 HIS HB3 . . 4.160 2.927 2.320 3.473 . 0 0 "[ . 1 . 2]" 2
455 1 118 GLY HA2 1 119 ASP HA . . 5.180 4.924 4.823 5.040 . 0 0 "[ . 1 . 2]" 2
456 1 118 GLY HA3 1 119 ASP HA . . 4.540 4.564 4.476 4.613 0.073 3 0 "[ . 1 . 2]" 2
457 1 116 HIS HD1 1 121 CYS HB2 . . 4.980 4.507 3.581 5.140 0.160 6 0 "[ . 1 . 2]" 2
458 1 120 ASP H 1 120 ASP HB3 . . 3.680 2.604 2.416 3.082 . 0 0 "[ . 1 . 2]" 2
459 1 111 CYS H 1 112 GLY H . . 4.660 3.214 1.861 4.617 . 0 0 "[ . 1 . 2]" 2
460 1 120 ASP H 1 121 CYS H . . 4.200 2.107 1.910 2.408 . 0 0 "[ . 1 . 2]" 2
461 1 102 PRO QB 1 103 PHE H . . 3.770 2.965 2.462 3.686 . 0 0 "[ . 1 . 2]" 2
462 1 108 CYS QB 1 114 LYS HA . . 3.960 2.931 2.014 4.016 0.056 1 0 "[ . 1 . 2]" 2
463 1 108 CYS QB 1 118 GLY HA2 . . 3.670 3.188 2.206 3.829 0.159 2 0 "[ . 1 . 2]" 2
464 1 108 CYS QB 1 118 GLY HA3 . . 4.010 3.262 2.184 4.078 0.068 9 0 "[ . 1 . 2]" 2
465 1 110 ASN H 1 110 ASN QB . . 3.330 2.464 2.186 2.949 . 0 0 "[ . 1 . 2]" 2
466 1 110 ASN QB 1 111 CYS H . . 3.590 3.026 2.372 3.594 0.004 11 0 "[ . 1 . 2]" 2
467 1 110 ASN QB 1 111 CYS QB . . 4.210 3.865 3.319 4.309 0.099 20 0 "[ . 1 . 2]" 2
468 1 113 GLY QA 1 114 LYS HA . . 4.760 4.145 3.933 4.613 . 0 0 "[ . 1 . 2]" 2
469 1 116 HIS HA 1 117 PHE QB . . 4.740 4.657 4.149 4.948 0.208 5 0 "[ . 1 . 2]" 2
470 1 116 HIS HB2 1 117 PHE QB . . 4.070 3.932 3.116 4.296 0.226 2 0 "[ . 1 . 2]" 2
471 1 116 HIS HD1 1 117 PHE QB . . 3.720 3.129 2.232 3.879 0.159 6 0 "[ . 1 . 2]" 2
472 1 116 HIS HD1 1 121 CYS QB . . 4.200 4.010 3.391 4.443 0.243 7 0 "[ . 1 . 2]" 2
473 1 117 PHE H 1 117 PHE QB . . 3.530 2.750 2.151 3.185 . 0 0 "[ . 1 . 2]" 2
474 1 117 PHE QB 1 118 GLY H . . 3.790 3.900 3.770 4.083 0.293 10 0 "[ . 1 . 2]" 2
475 1 118 GLY HA3 1 119 ASP QB . . 5.200 4.712 4.473 5.151 . 0 0 "[ . 1 . 2]" 2
476 1 119 ASP H 1 119 ASP QB . . 3.590 2.191 2.130 2.364 . 0 0 "[ . 1 . 2]" 2
477 1 119 ASP QB 1 120 ASP H . . 3.980 2.586 2.411 2.768 . 0 0 "[ . 1 . 2]" 2
478 1 119 ASP QB 1 120 ASP QB . . 3.940 3.313 2.887 3.703 . 0 0 "[ . 1 . 2]" 2
479 1 119 ASP QB 1 121 CYS H . . 4.300 4.445 4.237 4.616 0.316 16 0 "[ . 1 . 2]" 2
480 1 120 ASP QB 1 121 CYS H . . 4.020 3.111 2.716 3.696 . 0 0 "[ . 1 . 2]" 2
481 1 120 ASP QB 1 121 CYS QB . . 4.600 4.273 3.817 4.685 0.085 5 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 10
_Distance_constraint_stats_list.Viol_count 79
_Distance_constraint_stats_list.Viol_total 104.968
_Distance_constraint_stats_list.Viol_max 0.239
_Distance_constraint_stats_list.Viol_rms 0.0450
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0262
_Distance_constraint_stats_list.Viol_average_violations_only 0.0664
_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 16 LEU 0.656 0.149 3 0 "[ . 1 . 2]"
1 20 CYS 0.656 0.149 3 0 "[ . 1 . 2]"
1 35 TYR 1.337 0.239 19 0 "[ . 1 . 2]"
1 39 CYS 1.337 0.239 19 0 "[ . 1 . 2]"
1 54 TYR 1.539 0.170 18 0 "[ . 1 . 2]"
1 58 CYS 1.539 0.170 18 0 "[ . 1 . 2]"
1 76 SER 1.189 0.171 14 0 "[ . 1 . 2]"
1 80 CYS 1.189 0.171 14 0 "[ . 1 . 2]"
1 117 PHE 0.529 0.118 18 0 "[ . 1 . 2]"
1 121 CYS 0.529 0.118 18 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 16 LEU O 1 20 CYS N . . 3.000 2.882 2.813 2.973 . 0 0 "[ . 1 . 2]" 3
2 1 16 LEU O 1 20 CYS H . . 2.000 2.012 1.897 2.149 0.149 3 0 "[ . 1 . 2]" 3
3 1 35 TYR O 1 39 CYS N . . 3.000 2.904 2.803 3.014 0.014 7 0 "[ . 1 . 2]" 3
4 1 35 TYR O 1 39 CYS H . . 2.000 2.052 1.853 2.239 0.239 19 0 "[ . 1 . 2]" 3
5 1 54 TYR O 1 58 CYS N . . 3.000 2.981 2.841 3.143 0.143 11 0 "[ . 1 . 2]" 3
6 1 54 TYR O 1 58 CYS H . . 2.000 2.027 1.900 2.170 0.170 18 0 "[ . 1 . 2]" 3
7 1 76 SER O 1 80 CYS N . . 3.000 2.954 2.848 3.106 0.106 14 0 "[ . 1 . 2]" 3
8 1 76 SER O 1 80 CYS H . . 2.000 2.015 1.850 2.171 0.171 14 0 "[ . 1 . 2]" 3
9 1 117 PHE O 1 121 CYS N . . 3.000 2.925 2.822 3.054 0.054 8 0 "[ . 1 . 2]" 3
10 1 117 PHE O 1 121 CYS H . . 2.000 1.977 1.849 2.118 0.118 18 0 "[ . 1 . 2]" 3
stop_
save_
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