NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
390925 |
1osl   |
5791 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1osl
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 612
_Distance_constraint_stats_list.Viol_count 3049
_Distance_constraint_stats_list.Viol_total 7420.814
_Distance_constraint_stats_list.Viol_max 2.791
_Distance_constraint_stats_list.Viol_rms 0.0770
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0303
_Distance_constraint_stats_list.Viol_average_violations_only 0.1217
_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
4 3 PRO 2.937 0.378 20 0 "[ . 1 . 2]"
4 4 VAL 26.173 0.433 9 0 "[ . 1 . 2]"
4 5 THR 16.643 0.358 9 0 "[ . 1 . 2]"
4 6 LEU 21.517 0.305 16 0 "[ . 1 . 2]"
4 7 TYR 13.495 0.345 16 0 "[ . 1 . 2]"
4 8 ASP 17.616 0.433 9 0 "[ . 1 . 2]"
4 9 VAL 29.202 0.289 17 0 "[ . 1 . 2]"
4 10 ALA 18.764 0.289 17 0 "[ . 1 . 2]"
4 11 GLU 9.779 0.237 14 0 "[ . 1 . 2]"
4 12 TYR 26.088 0.338 9 0 "[ . 1 . 2]"
4 13 ALA 30.364 0.673 18 20 [-****************+**]
4 14 GLY 10.134 0.308 17 0 "[ . 1 . 2]"
4 15 VAL 23.892 0.308 17 0 "[ . 1 . 2]"
4 16 SER 13.195 0.284 12 0 "[ . 1 . 2]"
4 17 TYR 31.448 0.353 14 0 "[ . 1 . 2]"
4 18 GLN 2.432 0.349 4 0 "[ . 1 . 2]"
4 19 THR 13.365 0.326 20 0 "[ . 1 . 2]"
4 20 VAL 30.814 0.424 5 0 "[ . 1 . 2]"
4 21 SER 2.852 0.187 3 0 "[ . 1 . 2]"
4 22 ARG 8.359 0.296 20 0 "[ . 1 . 2]"
4 23 VAL 36.946 2.791 13 12 "[ -*** * *+*.****2]"
4 24 VAL 9.005 0.310 17 0 "[ . 1 . 2]"
4 25 ASN 9.399 0.366 13 0 "[ . 1 . 2]"
4 26 GLN 12.758 0.567 10 3 "[ -. + * . 2]"
4 27 ALA 24.308 2.791 13 11 "[ **** * +*.**-*2]"
4 28 SER 0.281 0.104 1 0 "[ . 1 . 2]"
4 29 HIS 5.120 0.201 6 0 "[ . 1 . 2]"
4 30 VAL 8.507 0.276 5 0 "[ . 1 . 2]"
4 31 SER 5.199 0.269 17 0 "[ . 1 . 2]"
4 32 ALA 2.110 0.158 3 0 "[ . 1 . 2]"
4 33 LYS 7.844 0.351 17 0 "[ . 1 . 2]"
4 34 THR 7.690 0.351 17 0 "[ . 1 . 2]"
4 35 ARG 6.408 0.246 3 0 "[ . 1 . 2]"
4 36 GLU 6.518 0.250 13 0 "[ . 1 . 2]"
4 37 LYS 12.611 0.279 17 0 "[ . 1 . 2]"
4 38 VAL 28.692 0.270 8 0 "[ . 1 . 2]"
4 39 GLU 6.610 0.235 17 0 "[ . 1 . 2]"
4 40 ALA 6.706 0.276 15 0 "[ . 1 . 2]"
4 41 ALA 23.222 0.673 18 20 [-****************+**]
4 42 MET 23.220 0.270 8 0 "[ . 1 . 2]"
4 43 ALA 11.131 0.227 12 0 "[ . 1 . 2]"
4 44 GLU 19.623 0.261 1 0 "[ . 1 . 2]"
4 45 LEU 17.797 0.338 9 0 "[ . 1 . 2]"
4 46 ASN 7.874 0.203 3 0 "[ . 1 . 2]"
4 47 TYR 17.097 0.845 12 2 "[ . -1 + . 2]"
4 48 ILE 7.288 0.845 12 2 "[ . -1 + . 2]"
4 49 PRO 1.052 0.235 15 0 "[ . 1 . 2]"
4 50 ASN 1.721 0.280 9 0 "[ . 1 . 2]"
4 51 ARG 2.018 0.280 9 0 "[ . 1 . 2]"
4 52 CYS 8.212 0.338 2 0 "[ . 1 . 2]"
4 53 ALA 8.005 0.338 2 0 "[ . 1 . 2]"
4 54 GLN 1.299 0.166 5 0 "[ . 1 . 2]"
4 55 GLN 1.323 0.188 3 0 "[ . 1 . 2]"
4 56 LEU 0.927 0.188 3 0 "[ . 1 . 2]"
4 57 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
4 58 GLY 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 4 3 PRO HA 4 3 PRO QG 3.600 . 3.600 3.153 2.848 3.541 . 0 0 "[ . 1 . 2]" 1
2 4 3 PRO HA 4 4 VAL H 3.600 . 3.600 2.701 2.111 3.566 . 0 0 "[ . 1 . 2]" 1
3 4 3 PRO HA 4 4 VAL MG1 5.500 . 5.500 5.622 5.435 5.878 0.378 20 0 "[ . 1 . 2]" 1
4 4 3 PRO HA 4 4 VAL MG2 5.500 . 5.500 3.810 3.467 4.323 . 0 0 "[ . 1 . 2]" 1
5 4 3 PRO QB 4 4 VAL H 3.600 . 3.600 2.704 1.756 3.694 0.094 20 0 "[ . 1 . 2]" 1
6 4 3 PRO QG 4 48 ILE MG 5.000 . 5.000 3.221 2.091 3.751 . 0 0 "[ . 1 . 2]" 1
7 4 4 VAL H 4 4 VAL HB 3.600 . 3.600 2.637 2.389 2.945 . 0 0 "[ . 1 . 2]" 1
8 4 4 VAL H 4 4 VAL MG2 3.600 . 3.600 2.481 1.901 3.031 . 0 0 "[ . 1 . 2]" 1
9 4 4 VAL H 4 5 THR H 4.500 . 4.500 4.391 4.234 4.521 0.021 17 0 "[ . 1 . 2]" 1
10 4 4 VAL H 4 48 ILE MG 5.000 . 5.000 3.330 2.600 3.703 . 0 0 "[ . 1 . 2]" 1
11 4 4 VAL HA 4 4 VAL MG1 3.600 . 3.600 2.405 2.310 2.528 . 0 0 "[ . 1 . 2]" 1
12 4 4 VAL HA 4 4 VAL MG2 3.600 . 3.600 2.362 2.287 2.425 . 0 0 "[ . 1 . 2]" 1
13 4 4 VAL HA 4 5 THR H 3.600 . 3.600 2.074 2.015 2.171 . 0 0 "[ . 1 . 2]" 1
14 4 4 VAL HA 4 5 THR MG 5.500 . 5.500 4.497 3.857 5.137 . 0 0 "[ . 1 . 2]" 1
15 4 4 VAL HA 4 8 ASP HB2 3.600 . 3.600 3.322 3.158 3.613 0.013 12 0 "[ . 1 . 2]" 1
16 4 4 VAL HA 4 8 ASP HB3 3.600 . 3.600 3.846 3.758 4.033 0.433 9 0 "[ . 1 . 2]" 1
17 4 4 VAL HB 4 5 THR H 3.600 . 3.600 3.850 3.736 3.958 0.358 9 0 "[ . 1 . 2]" 1
18 4 4 VAL HB 4 47 TYR QD 3.600 . 3.600 2.074 1.795 2.218 0.005 9 0 "[ . 1 . 2]" 1
19 4 4 VAL MG1 4 5 THR H 3.600 . 3.600 2.230 2.008 2.340 . 0 0 "[ . 1 . 2]" 1
20 4 4 VAL MG1 4 5 THR HA 3.600 . 3.600 3.536 3.426 3.641 0.041 12 0 "[ . 1 . 2]" 1
21 4 4 VAL MG1 4 7 TYR H 4.500 . 4.500 4.623 4.576 4.678 0.178 4 0 "[ . 1 . 2]" 1
22 4 4 VAL MG1 4 8 ASP HA 4.000 . 4.000 4.113 4.024 4.159 0.159 2 0 "[ . 1 . 2]" 1
23 4 4 VAL MG1 4 8 ASP HB2 3.600 . 3.600 1.785 1.699 1.979 0.101 18 0 "[ . 1 . 2]" 1
24 4 4 VAL MG1 4 8 ASP HB3 3.600 . 3.600 2.063 1.785 2.268 0.015 12 0 "[ . 1 . 2]" 1
25 4 4 VAL MG1 4 9 VAL H 3.600 . 3.600 2.994 2.855 3.101 . 0 0 "[ . 1 . 2]" 1
26 4 4 VAL MG1 4 9 VAL MG2 3.600 . 3.600 2.085 1.937 2.241 . 0 0 "[ . 1 . 2]" 1
27 4 4 VAL MG1 4 45 LEU QB 3.600 . 3.600 2.641 2.515 2.796 . 0 0 "[ . 1 . 2]" 1
28 4 4 VAL MG1 4 45 LEU QD 3.600 . 3.600 2.592 2.370 2.792 . 0 0 "[ . 1 . 2]" 1
29 4 4 VAL MG1 4 47 TYR HA 3.600 . 3.600 2.810 2.021 3.520 . 0 0 "[ . 1 . 2]" 1
30 4 4 VAL MG1 4 47 TYR HB2 3.600 . 3.600 2.635 2.235 3.261 . 0 0 "[ . 1 . 2]" 1
31 4 4 VAL MG1 4 47 TYR HB3 5.500 . 5.500 4.110 3.829 4.668 . 0 0 "[ . 1 . 2]" 1
32 4 4 VAL MG1 4 47 TYR QD 3.600 . 3.600 2.716 2.471 3.242 . 0 0 "[ . 1 . 2]" 1
33 4 4 VAL MG1 4 47 TYR QE 3.600 . 3.600 3.618 3.511 3.698 0.098 1 0 "[ . 1 . 2]" 1
34 4 4 VAL MG2 4 5 THR H 3.600 . 3.600 3.781 3.690 3.841 0.241 15 0 "[ . 1 . 2]" 1
35 4 4 VAL MG2 4 8 ASP HB2 5.500 . 5.500 3.824 3.699 4.094 . 0 0 "[ . 1 . 2]" 1
36 4 4 VAL MG2 4 9 VAL MG2 3.600 . 3.600 3.704 3.557 3.871 0.271 11 0 "[ . 1 . 2]" 1
37 4 4 VAL MG2 4 45 LEU QB 3.600 . 3.600 2.145 1.844 2.469 . 0 0 "[ . 1 . 2]" 1
38 4 4 VAL MG2 4 45 LEU QD 3.600 . 3.600 3.076 2.859 3.286 . 0 0 "[ . 1 . 2]" 1
39 4 4 VAL MG2 4 47 TYR HA 3.600 . 3.600 2.593 2.243 2.820 . 0 0 "[ . 1 . 2]" 1
40 4 4 VAL MG2 4 47 TYR HB2 4.600 . 4.600 3.475 3.204 3.916 . 0 0 "[ . 1 . 2]" 1
41 4 4 VAL MG2 4 47 TYR HB3 4.600 . 4.600 4.606 4.496 4.667 0.067 10 0 "[ . 1 . 2]" 1
42 4 4 VAL MG2 4 47 TYR QD 3.600 . 3.600 3.623 3.408 3.738 0.138 5 0 "[ . 1 . 2]" 1
43 4 5 THR H 4 5 THR MG 3.600 . 3.600 3.350 2.821 3.787 0.187 18 0 "[ . 1 . 2]" 1
44 4 5 THR H 4 8 ASP H 3.600 . 3.600 3.254 3.060 3.585 . 0 0 "[ . 1 . 2]" 1
45 4 5 THR H 4 8 ASP HB2 3.600 . 3.600 2.198 2.025 2.297 . 0 0 "[ . 1 . 2]" 1
46 4 5 THR H 4 8 ASP HB3 3.600 . 3.600 3.535 3.424 3.616 0.016 18 0 "[ . 1 . 2]" 1
47 4 5 THR HA 4 5 THR MG 3.600 . 3.600 2.249 2.156 2.351 . 0 0 "[ . 1 . 2]" 1
48 4 5 THR HA 4 6 LEU H 3.600 . 3.600 2.406 2.355 2.449 . 0 0 "[ . 1 . 2]" 1
49 4 5 THR HA 4 6 LEU QB 4.100 . 4.100 4.275 4.236 4.307 0.207 8 0 "[ . 1 . 2]" 1
50 4 5 THR HA 4 47 TYR QE 3.600 . 3.600 3.343 3.022 3.596 . 0 0 "[ . 1 . 2]" 1
51 4 5 THR HB 4 6 LEU H 3.600 . 3.600 2.952 2.515 3.469 . 0 0 "[ . 1 . 2]" 1
52 4 5 THR HB 4 7 TYR H 3.600 . 3.600 2.319 2.190 2.478 . 0 0 "[ . 1 . 2]" 1
53 4 5 THR MG 4 6 LEU H 3.600 . 3.600 3.080 2.320 3.716 0.116 19 0 "[ . 1 . 2]" 1
54 4 5 THR MG 4 7 TYR QD 3.600 . 3.600 3.717 3.445 3.897 0.297 6 0 "[ . 1 . 2]" 1
55 4 6 LEU H 4 6 LEU QB 3.600 . 3.600 2.063 2.044 2.088 . 0 0 "[ . 1 . 2]" 1
56 4 6 LEU H 4 6 LEU QD 3.600 . 3.600 3.630 3.608 3.653 0.053 7 0 "[ . 1 . 2]" 1
57 4 6 LEU H 4 6 LEU HG 3.600 . 3.600 3.556 3.504 3.618 0.018 13 0 "[ . 1 . 2]" 1
58 4 6 LEU H 4 7 TYR H 3.600 . 3.600 2.556 2.456 2.611 . 0 0 "[ . 1 . 2]" 1
59 4 6 LEU H 4 8 ASP H 4.500 . 4.500 4.195 4.086 4.260 . 0 0 "[ . 1 . 2]" 1
60 4 6 LEU H 4 17 TYR QE 3.600 . 3.600 2.881 2.659 3.080 . 0 0 "[ . 1 . 2]" 1
61 4 6 LEU H 4 47 TYR QE 3.600 . 3.600 3.614 3.489 3.736 0.136 3 0 "[ . 1 . 2]" 1
62 4 6 LEU HA 4 6 LEU QD 3.600 . 3.600 1.785 1.731 1.901 0.069 15 0 "[ . 1 . 2]" 1
63 4 6 LEU HA 4 6 LEU HG 3.600 . 3.600 2.588 2.486 2.690 . 0 0 "[ . 1 . 2]" 1
64 4 6 LEU HA 4 7 TYR H 3.600 . 3.600 3.366 3.336 3.389 . 0 0 "[ . 1 . 2]" 1
65 4 6 LEU HA 4 9 VAL H 3.600 . 3.600 3.186 3.090 3.256 . 0 0 "[ . 1 . 2]" 1
66 4 6 LEU HA 4 9 VAL MG2 3.600 . 3.600 2.698 2.590 2.808 . 0 0 "[ . 1 . 2]" 1
67 4 6 LEU HA 4 17 TYR QD 4.600 . 4.600 4.649 4.552 4.733 0.133 20 0 "[ . 1 . 2]" 1
68 4 6 LEU HA 4 17 TYR QE 3.600 . 3.600 3.672 3.582 3.901 0.301 10 0 "[ . 1 . 2]" 1
69 4 6 LEU HA 4 47 TYR QD 4.600 . 4.600 4.405 4.247 4.545 . 0 0 "[ . 1 . 2]" 1
70 4 6 LEU HA 4 47 TYR QE 3.600 . 3.600 3.562 3.423 3.678 0.078 12 0 "[ . 1 . 2]" 1
71 4 6 LEU QB 4 7 TYR H 5.500 . 5.500 3.060 3.018 3.100 . 0 0 "[ . 1 . 2]" 1
72 4 6 LEU QB 4 7 TYR HA 5.500 . 5.500 4.054 4.005 4.103 . 0 0 "[ . 1 . 2]" 1
73 4 6 LEU QB 4 17 TYR HB2 5.500 . 5.500 5.095 4.999 5.222 . 0 0 "[ . 1 . 2]" 1
74 4 6 LEU QB 4 17 TYR QD 3.600 . 3.600 2.827 2.668 2.925 . 0 0 "[ . 1 . 2]" 1
75 4 6 LEU QB 4 17 TYR QE 3.600 . 3.600 1.637 1.495 1.750 0.305 16 0 "[ . 1 . 2]" 1
76 4 6 LEU QB 4 20 VAL MG2 3.600 . 3.600 3.578 3.437 3.741 0.141 8 0 "[ . 1 . 2]" 1
77 4 6 LEU QD 4 9 VAL H 3.600 . 3.600 3.668 3.607 3.722 0.122 11 0 "[ . 1 . 2]" 1
78 4 6 LEU QD 4 9 VAL MG1 3.600 . 3.600 2.922 2.784 3.045 . 0 0 "[ . 1 . 2]" 1
79 4 6 LEU QD 4 9 VAL MG2 3.600 . 3.600 2.698 2.566 2.867 . 0 0 "[ . 1 . 2]" 1
80 4 6 LEU QD 4 10 ALA H 3.600 . 3.600 3.592 3.480 3.661 0.061 11 0 "[ . 1 . 2]" 1
81 4 6 LEU QD 4 17 TYR QD 3.600 . 3.600 3.686 3.610 3.761 0.161 12 0 "[ . 1 . 2]" 1
82 4 6 LEU QD 4 17 TYR QE 3.600 . 3.600 3.099 2.912 3.211 . 0 0 "[ . 1 . 2]" 1
83 4 6 LEU QD 4 20 VAL HA 4.500 . 4.500 4.602 4.474 4.681 0.181 9 0 "[ . 1 . 2]" 1
84 4 6 LEU QD 4 21 SER HA 3.600 . 3.600 2.007 1.804 2.176 . 0 0 "[ . 1 . 2]" 1
85 4 6 LEU QD 4 24 VAL HB 3.600 . 3.600 2.257 1.989 2.441 . 0 0 "[ . 1 . 2]" 1
86 4 6 LEU QD 4 24 VAL MG1 3.600 . 3.600 2.368 2.047 2.640 . 0 0 "[ . 1 . 2]" 1
87 4 6 LEU QD 4 24 VAL MG2 3.600 . 3.600 2.022 1.862 2.226 . 0 0 "[ . 1 . 2]" 1
88 4 6 LEU QD 4 42 MET ME 3.600 . 3.600 2.664 2.497 2.861 . 0 0 "[ . 1 . 2]" 1
89 4 6 LEU QD 4 47 TYR QD 3.600 . 3.600 3.558 3.421 3.701 0.101 2 0 "[ . 1 . 2]" 1
90 4 6 LEU QD 4 47 TYR QE 3.600 . 3.600 2.383 2.159 2.612 . 0 0 "[ . 1 . 2]" 1
91 4 6 LEU HG 4 7 TYR H 5.000 . 5.000 5.153 5.110 5.197 0.197 1 0 "[ . 1 . 2]" 1
92 4 6 LEU HG 4 17 TYR QE 4.600 . 4.600 4.184 3.950 4.258 . 0 0 "[ . 1 . 2]" 1
93 4 6 LEU HG 4 47 TYR QE 3.600 . 3.600 2.682 2.061 2.932 . 0 0 "[ . 1 . 2]" 1
94 4 7 TYR H 4 7 TYR HB2 3.600 . 3.600 2.083 1.968 2.176 . 0 0 "[ . 1 . 2]" 1
95 4 7 TYR H 4 7 TYR HB3 3.600 . 3.600 3.390 3.250 3.485 . 0 0 "[ . 1 . 2]" 1
96 4 7 TYR H 4 7 TYR QD 3.600 . 3.600 3.675 3.618 3.742 0.142 8 0 "[ . 1 . 2]" 1
97 4 7 TYR H 4 8 ASP H 3.600 . 3.600 2.511 2.456 2.549 . 0 0 "[ . 1 . 2]" 1
98 4 7 TYR H 4 17 TYR QE 3.600 . 3.600 2.499 2.284 2.863 . 0 0 "[ . 1 . 2]" 1
99 4 7 TYR HA 4 7 TYR QE 4.600 . 4.600 4.062 3.943 4.229 . 0 0 "[ . 1 . 2]" 1
100 4 7 TYR HA 4 8 ASP H 3.600 . 3.600 3.467 3.442 3.489 . 0 0 "[ . 1 . 2]" 1
101 4 7 TYR HA 4 10 ALA H 3.600 . 3.600 3.510 3.414 3.622 0.022 13 0 "[ . 1 . 2]" 1
102 4 7 TYR HA 4 11 GLU H 4.500 . 4.500 4.026 3.956 4.130 . 0 0 "[ . 1 . 2]" 1
103 4 7 TYR HA 4 17 TYR QE 3.600 . 3.600 3.626 3.434 3.945 0.345 16 0 "[ . 1 . 2]" 1
104 4 7 TYR HB2 4 7 TYR QE 4.300 . 4.300 4.412 4.377 4.450 0.150 9 0 "[ . 1 . 2]" 1
105 4 7 TYR HB2 4 8 ASP H 3.600 . 3.600 2.873 2.754 3.011 . 0 0 "[ . 1 . 2]" 1
106 4 7 TYR HB3 4 7 TYR QE 4.600 . 4.600 4.499 4.454 4.521 . 0 0 "[ . 1 . 2]" 1
107 4 7 TYR HB3 4 8 ASP H 3.600 . 3.600 3.148 2.853 3.371 . 0 0 "[ . 1 . 2]" 1
108 4 7 TYR QD 4 10 ALA MB 3.600 . 3.600 3.030 2.892 3.199 . 0 0 "[ . 1 . 2]" 1
109 4 7 TYR QD 4 17 TYR HB2 3.600 . 3.600 2.187 2.006 2.434 . 0 0 "[ . 1 . 2]" 1
110 4 7 TYR QD 4 17 TYR HB3 4.000 . 4.000 3.884 3.678 4.137 0.137 18 0 "[ . 1 . 2]" 1
111 4 8 ASP H 4 8 ASP HB2 3.600 . 3.600 2.213 2.062 2.308 . 0 0 "[ . 1 . 2]" 1
112 4 8 ASP H 4 8 ASP HB3 3.600 . 3.600 3.502 3.391 3.550 . 0 0 "[ . 1 . 2]" 1
113 4 8 ASP H 4 10 ALA H 3.600 . 3.600 3.813 3.772 3.850 0.250 20 0 "[ . 1 . 2]" 1
114 4 8 ASP H 4 11 GLU H 4.500 . 4.500 4.591 4.554 4.630 0.130 9 0 "[ . 1 . 2]" 1
115 4 8 ASP HA 4 9 VAL H 3.600 . 3.600 3.505 3.491 3.520 . 0 0 "[ . 1 . 2]" 1
116 4 8 ASP HA 4 11 GLU H 3.600 . 3.600 3.574 3.491 3.631 0.031 7 0 "[ . 1 . 2]" 1
117 4 8 ASP HA 4 11 GLU QB 3.600 . 3.600 2.881 2.745 3.006 . 0 0 "[ . 1 . 2]" 1
118 4 8 ASP HA 4 45 LEU QD 3.600 . 3.600 3.768 3.707 3.856 0.256 10 0 "[ . 1 . 2]" 1
119 4 8 ASP HB2 4 9 VAL H 3.600 . 3.600 2.674 2.584 2.849 . 0 0 "[ . 1 . 2]" 1
120 4 8 ASP HB2 4 9 VAL MG2 3.600 . 3.600 3.472 3.343 3.667 0.067 12 0 "[ . 1 . 2]" 1
121 4 8 ASP HB2 4 45 LEU QD 3.600 . 3.600 3.436 3.200 3.614 0.014 12 0 "[ . 1 . 2]" 1
122 4 8 ASP HB3 4 9 VAL H 3.600 . 3.600 3.374 3.181 3.534 . 0 0 "[ . 1 . 2]" 1
123 4 8 ASP HB3 4 9 VAL MG2 5.500 . 5.500 3.808 3.607 4.042 . 0 0 "[ . 1 . 2]" 1
124 4 8 ASP HB3 4 45 LEU QD 3.600 . 3.600 2.353 2.269 2.452 . 0 0 "[ . 1 . 2]" 1
125 4 9 VAL H 4 9 VAL HB 3.600 . 3.600 2.415 2.378 2.439 . 0 0 "[ . 1 . 2]" 1
126 4 9 VAL H 4 9 VAL MG1 3.600 . 3.600 3.717 3.702 3.728 0.128 5 0 "[ . 1 . 2]" 1
127 4 9 VAL H 4 9 VAL MG2 3.600 . 3.600 2.377 2.288 2.439 . 0 0 "[ . 1 . 2]" 1
128 4 9 VAL H 4 10 ALA H 3.600 . 3.600 2.384 2.352 2.408 . 0 0 "[ . 1 . 2]" 1
129 4 9 VAL H 4 10 ALA MB 3.600 . 3.600 3.868 3.842 3.889 0.289 17 0 "[ . 1 . 2]" 1
130 4 9 VAL H 4 11 GLU H 4.500 . 4.500 4.060 4.035 4.110 . 0 0 "[ . 1 . 2]" 1
131 4 9 VAL H 4 45 LEU QD 3.600 . 3.600 3.415 3.380 3.467 . 0 0 "[ . 1 . 2]" 1
132 4 9 VAL HA 4 9 VAL MG2 3.600 . 3.600 2.255 2.232 2.278 . 0 0 "[ . 1 . 2]" 1
133 4 9 VAL HA 4 10 ALA H 3.600 . 3.600 3.476 3.463 3.486 . 0 0 "[ . 1 . 2]" 1
134 4 9 VAL HA 4 12 TYR H 3.600 . 3.600 3.624 3.606 3.648 0.048 9 0 "[ . 1 . 2]" 1
135 4 9 VAL HA 4 12 TYR HB2 3.600 . 3.600 3.609 3.498 3.649 0.049 4 0 "[ . 1 . 2]" 1
136 4 9 VAL HA 4 12 TYR HB3 3.600 . 3.600 2.620 2.561 2.662 . 0 0 "[ . 1 . 2]" 1
137 4 9 VAL HA 4 12 TYR QD 3.600 . 3.600 3.634 3.597 3.718 0.118 14 0 "[ . 1 . 2]" 1
138 4 9 VAL HA 4 13 ALA H 4.500 . 4.500 4.152 4.095 4.243 . 0 0 "[ . 1 . 2]" 1
139 4 9 VAL HA 4 41 ALA MB 3.600 . 3.600 2.392 2.329 2.516 . 0 0 "[ . 1 . 2]" 1
140 4 9 VAL HA 4 45 LEU QD 3.600 . 3.600 2.186 2.090 2.241 . 0 0 "[ . 1 . 2]" 1
141 4 9 VAL HB 4 10 ALA H 3.600 . 3.600 2.494 2.452 2.541 . 0 0 "[ . 1 . 2]" 1
142 4 9 VAL HB 4 10 ALA MB 5.500 . 5.500 3.870 3.794 3.908 . 0 0 "[ . 1 . 2]" 1
143 4 9 VAL HB 4 11 GLU H 5.000 . 5.000 5.052 5.017 5.085 0.085 11 0 "[ . 1 . 2]" 1
144 4 9 VAL MG1 4 12 TYR H 5.000 . 5.000 4.850 4.807 4.882 . 0 0 "[ . 1 . 2]" 1
145 4 9 VAL MG1 4 12 TYR QD 3.600 . 3.600 3.768 3.731 3.830 0.230 14 0 "[ . 1 . 2]" 1
146 4 9 VAL MG1 4 41 ALA MB 3.600 . 3.600 1.744 1.721 1.786 0.079 6 0 "[ . 1 . 2]" 1
147 4 9 VAL MG1 4 42 MET H 3.600 . 3.600 2.215 2.143 2.268 . 0 0 "[ . 1 . 2]" 1
148 4 9 VAL MG1 4 42 MET HA 3.600 . 3.600 2.747 2.682 2.798 . 0 0 "[ . 1 . 2]" 1
149 4 9 VAL MG1 4 42 MET QB 3.600 . 3.600 1.801 1.751 1.863 0.049 14 0 "[ . 1 . 2]" 1
150 4 9 VAL MG1 4 42 MET ME 3.600 . 3.600 1.762 1.722 1.793 0.078 10 0 "[ . 1 . 2]" 1
151 4 9 VAL MG1 4 42 MET QG 3.600 . 3.600 3.050 2.977 3.106 . 0 0 "[ . 1 . 2]" 1
152 4 9 VAL MG1 4 45 LEU QD 3.600 . 3.600 3.602 3.554 3.640 0.040 3 0 "[ . 1 . 2]" 1
153 4 9 VAL MG1 4 47 TYR QD 3.600 . 3.600 3.679 3.634 3.714 0.114 8 0 "[ . 1 . 2]" 1
154 4 9 VAL MG2 4 10 ALA H 3.600 . 3.600 3.754 3.730 3.779 0.179 20 0 "[ . 1 . 2]" 1
155 4 9 VAL MG2 4 41 ALA MB 3.600 . 3.600 3.402 3.335 3.484 . 0 0 "[ . 1 . 2]" 1
156 4 9 VAL MG2 4 42 MET H 3.600 . 3.600 3.482 3.441 3.535 . 0 0 "[ . 1 . 2]" 1
157 4 9 VAL MG2 4 42 MET HA 3.600 . 3.600 1.954 1.836 2.007 . 0 0 "[ . 1 . 2]" 1
158 4 9 VAL MG2 4 42 MET ME 3.600 . 3.600 2.890 2.786 2.994 . 0 0 "[ . 1 . 2]" 1
159 4 9 VAL MG2 4 42 MET QG 3.600 . 3.600 3.803 3.773 3.847 0.247 1 0 "[ . 1 . 2]" 1
160 4 9 VAL MG2 4 45 LEU HA 5.500 . 5.500 5.533 5.423 5.606 0.106 3 0 "[ . 1 . 2]" 1
161 4 9 VAL MG2 4 45 LEU QD 3.600 . 3.600 2.334 2.220 2.436 . 0 0 "[ . 1 . 2]" 1
162 4 9 VAL MG2 4 45 LEU HG 3.600 . 3.600 3.546 3.436 3.616 0.016 7 0 "[ . 1 . 2]" 1
163 4 9 VAL MG2 4 47 TYR HB2 3.600 . 3.600 2.357 2.197 2.648 . 0 0 "[ . 1 . 2]" 1
164 4 9 VAL MG2 4 47 TYR HB3 4.500 . 4.500 3.326 2.878 3.672 . 0 0 "[ . 1 . 2]" 1
165 4 9 VAL MG2 4 47 TYR QD 3.600 . 3.600 2.713 2.648 2.820 . 0 0 "[ . 1 . 2]" 1
166 4 9 VAL MG2 4 47 TYR QE 3.600 . 3.600 3.555 3.420 3.647 0.047 14 0 "[ . 1 . 2]" 1
167 4 10 ALA H 4 10 ALA MB 3.600 . 3.600 1.984 1.940 2.021 . 0 0 "[ . 1 . 2]" 1
168 4 10 ALA H 4 11 GLU H 4.500 . 4.500 2.743 2.694 2.806 . 0 0 "[ . 1 . 2]" 1
169 4 10 ALA H 4 20 VAL MG1 3.600 . 3.600 3.607 3.491 3.700 0.100 17 0 "[ . 1 . 2]" 1
170 4 10 ALA HA 4 11 GLU H 3.600 . 3.600 3.527 3.510 3.545 . 0 0 "[ . 1 . 2]" 1
171 4 10 ALA HA 4 13 ALA H 3.600 . 3.600 3.488 3.427 3.550 . 0 0 "[ . 1 . 2]" 1
172 4 10 ALA HA 4 13 ALA MB 3.600 . 3.600 2.685 2.593 2.745 . 0 0 "[ . 1 . 2]" 1
173 4 10 ALA HA 4 14 GLY H 4.000 . 4.000 4.130 4.096 4.160 0.160 13 0 "[ . 1 . 2]" 1
174 4 10 ALA HA 4 15 VAL H 3.600 . 3.600 3.619 3.562 3.677 0.077 17 0 "[ . 1 . 2]" 1
175 4 10 ALA HA 4 20 VAL H 4.500 . 4.500 4.378 4.167 4.509 0.009 6 0 "[ . 1 . 2]" 1
176 4 10 ALA HA 4 20 VAL MG1 3.600 . 3.600 1.816 1.763 1.918 0.037 15 0 "[ . 1 . 2]" 1
177 4 10 ALA HA 4 20 VAL MG2 3.600 . 3.600 3.340 3.205 3.497 . 0 0 "[ . 1 . 2]" 1
178 4 10 ALA MB 4 11 GLU H 3.600 . 3.600 2.572 2.535 2.635 . 0 0 "[ . 1 . 2]" 1
179 4 10 ALA MB 4 16 SER HA 3.600 . 3.600 3.633 3.519 3.705 0.105 7 0 "[ . 1 . 2]" 1
180 4 10 ALA MB 4 17 TYR H 3.600 . 3.600 3.411 3.269 3.559 . 0 0 "[ . 1 . 2]" 1
181 4 10 ALA MB 4 17 TYR HA 3.600 . 3.600 1.898 1.782 2.092 0.018 13 0 "[ . 1 . 2]" 1
182 4 10 ALA MB 4 17 TYR QD 3.600 . 3.600 2.782 2.667 2.940 . 0 0 "[ . 1 . 2]" 1
183 4 10 ALA MB 4 17 TYR QE 4.500 . 4.500 4.407 4.239 4.596 0.096 10 0 "[ . 1 . 2]" 1
184 4 10 ALA MB 4 20 VAL H 3.600 . 3.600 3.618 3.463 3.756 0.156 9 0 "[ . 1 . 2]" 1
185 4 10 ALA MB 4 20 VAL MG1 3.600 . 3.600 2.101 1.996 2.217 . 0 0 "[ . 1 . 2]" 1
186 4 10 ALA MB 4 20 VAL MG2 3.600 . 3.600 2.966 2.820 3.148 . 0 0 "[ . 1 . 2]" 1
187 4 11 GLU H 4 11 GLU QB 3.600 . 3.600 2.153 2.053 2.366 . 0 0 "[ . 1 . 2]" 1
188 4 11 GLU H 4 11 GLU QG 3.600 . 3.600 3.215 2.450 3.821 0.221 5 0 "[ . 1 . 2]" 1
189 4 11 GLU H 4 12 TYR H 3.600 . 3.600 2.585 2.532 2.625 . 0 0 "[ . 1 . 2]" 1
190 4 11 GLU H 4 13 ALA H 3.600 . 3.600 3.799 3.773 3.837 0.237 14 0 "[ . 1 . 2]" 1
191 4 11 GLU HA 4 11 GLU QG 3.600 . 3.600 2.513 2.126 3.268 . 0 0 "[ . 1 . 2]" 1
192 4 11 GLU HA 4 14 GLY H 3.600 . 3.600 3.301 3.224 3.352 . 0 0 "[ . 1 . 2]" 1
193 4 11 GLU HA 4 15 VAL H 3.600 . 3.600 3.700 3.633 3.774 0.174 6 0 "[ . 1 . 2]" 1
194 4 11 GLU QB 4 12 TYR H 4.500 . 4.500 2.489 2.254 2.741 . 0 0 "[ . 1 . 2]" 1
195 4 12 TYR H 4 12 TYR HB2 3.600 . 3.600 2.410 2.358 2.451 . 0 0 "[ . 1 . 2]" 1
196 4 12 TYR H 4 12 TYR HB3 3.600 . 3.600 2.537 2.518 2.556 . 0 0 "[ . 1 . 2]" 1
197 4 12 TYR H 4 12 TYR QD 4.600 . 4.600 4.139 4.100 4.170 . 0 0 "[ . 1 . 2]" 1
198 4 12 TYR H 4 13 ALA H 3.600 . 3.600 2.690 2.667 2.717 . 0 0 "[ . 1 . 2]" 1
199 4 12 TYR H 4 13 ALA MB 4.600 . 4.600 4.401 4.366 4.429 . 0 0 "[ . 1 . 2]" 1
200 4 12 TYR H 4 41 ALA MB 5.500 . 5.500 3.934 3.906 3.974 . 0 0 "[ . 1 . 2]" 1
201 4 12 TYR H 4 45 LEU QD 3.600 . 3.600 3.468 3.374 3.563 . 0 0 "[ . 1 . 2]" 1
202 4 12 TYR HA 4 12 TYR QD 3.600 . 3.600 2.369 2.286 2.432 . 0 0 "[ . 1 . 2]" 1
203 4 12 TYR HA 4 12 TYR QE 4.600 . 4.600 4.472 4.394 4.518 . 0 0 "[ . 1 . 2]" 1
204 4 12 TYR HA 4 13 ALA H 3.600 . 3.600 3.510 3.500 3.532 . 0 0 "[ . 1 . 2]" 1
205 4 12 TYR HB2 4 12 TYR QE 4.600 . 4.600 4.466 4.452 4.490 . 0 0 "[ . 1 . 2]" 1
206 4 12 TYR HB2 4 13 ALA H 4.300 . 4.300 4.036 3.995 4.076 . 0 0 "[ . 1 . 2]" 1
207 4 12 TYR HB2 4 41 ALA MB 3.600 . 3.600 3.637 3.610 3.659 0.059 18 0 "[ . 1 . 2]" 1
208 4 12 TYR HB2 4 45 LEU QD 3.600 . 3.600 1.924 1.833 2.051 . 0 0 "[ . 1 . 2]" 1
209 4 12 TYR HB3 4 12 TYR QE 4.300 . 4.300 4.347 4.333 4.384 0.084 14 0 "[ . 1 . 2]" 1
210 4 12 TYR HB3 4 13 ALA H 3.600 . 3.600 2.928 2.866 2.978 . 0 0 "[ . 1 . 2]" 1
211 4 12 TYR HB3 4 41 ALA MB 3.600 . 3.600 2.090 2.063 2.134 . 0 0 "[ . 1 . 2]" 1
212 4 12 TYR HB3 4 45 LEU QD 3.600 . 3.600 2.403 2.320 2.508 . 0 0 "[ . 1 . 2]" 1
213 4 12 TYR QD 4 13 ALA H 4.600 . 4.600 4.252 4.190 4.290 . 0 0 "[ . 1 . 2]" 1
214 4 12 TYR QD 4 13 ALA HA 4.600 . 4.600 4.317 4.211 4.379 . 0 0 "[ . 1 . 2]" 1
215 4 12 TYR QD 4 13 ALA MB 4.000 . 4.000 4.191 4.111 4.247 0.247 4 0 "[ . 1 . 2]" 1
216 4 12 TYR QD 4 41 ALA MB 3.600 . 3.600 1.868 1.817 1.930 . 0 0 "[ . 1 . 2]" 1
217 4 12 TYR QD 4 44 GLU QG 3.600 . 3.600 3.776 3.674 3.861 0.261 1 0 "[ . 1 . 2]" 1
218 4 12 TYR QD 4 45 LEU QD 3.600 . 3.600 2.665 2.622 2.710 . 0 0 "[ . 1 . 2]" 1
219 4 12 TYR QD 4 45 LEU HG 3.600 . 3.600 2.782 2.649 2.845 . 0 0 "[ . 1 . 2]" 1
220 4 12 TYR QE 4 40 ALA MB 3.600 . 3.600 3.811 3.749 3.876 0.276 15 0 "[ . 1 . 2]" 1
221 4 12 TYR QE 4 41 ALA MB 3.600 . 3.600 3.574 3.520 3.659 0.059 14 0 "[ . 1 . 2]" 1
222 4 12 TYR QE 4 44 GLU QB 3.600 . 3.600 1.981 1.914 2.047 . 0 0 "[ . 1 . 2]" 1
223 4 12 TYR QE 4 44 GLU QG 3.600 . 3.600 1.702 1.631 1.778 0.169 9 0 "[ . 1 . 2]" 1
224 4 12 TYR QE 4 45 LEU H 3.600 . 3.600 3.830 3.791 3.938 0.338 9 0 "[ . 1 . 2]" 1
225 4 12 TYR QE 4 45 LEU QD 3.600 . 3.600 3.004 2.905 3.084 . 0 0 "[ . 1 . 2]" 1
226 4 12 TYR QE 4 45 LEU HG 3.600 . 3.600 3.667 3.627 3.780 0.180 14 0 "[ . 1 . 2]" 1
227 4 13 ALA H 4 14 GLY H 3.600 . 3.600 2.186 2.141 2.242 . 0 0 "[ . 1 . 2]" 1
228 4 13 ALA H 4 14 GLY QA 5.500 . 5.500 4.132 4.083 4.192 . 0 0 "[ . 1 . 2]" 1
229 4 13 ALA H 4 15 VAL H 3.600 . 3.600 3.727 3.692 3.753 0.153 12 0 "[ . 1 . 2]" 1
230 4 13 ALA H 4 15 VAL MG2 3.600 . 3.600 3.702 3.649 3.744 0.144 17 0 "[ . 1 . 2]" 1
231 4 13 ALA H 4 41 ALA MB 4.000 . 4.000 2.950 2.898 3.003 . 0 0 "[ . 1 . 2]" 1
232 4 13 ALA H 4 45 LEU QD 5.000 . 5.000 4.663 4.568 4.742 . 0 0 "[ . 1 . 2]" 1
233 4 13 ALA HA 4 14 GLY H 3.600 . 3.600 3.460 3.445 3.478 . 0 0 "[ . 1 . 2]" 1
234 4 13 ALA HA 4 41 ALA H 3.600 . 3.600 4.236 4.195 4.273 0.673 18 20 [-****************+**] 1
235 4 13 ALA MB 4 14 GLY H 3.600 . 3.600 2.729 2.686 2.767 . 0 0 "[ . 1 . 2]" 1
236 4 13 ALA MB 4 14 GLY QA 4.000 . 4.000 3.916 3.881 3.939 . 0 0 "[ . 1 . 2]" 1
237 4 13 ALA MB 4 15 VAL H 3.600 . 3.600 2.944 2.883 3.030 . 0 0 "[ . 1 . 2]" 1
238 4 13 ALA MB 4 15 VAL MG1 3.600 . 3.600 3.273 3.123 3.385 . 0 0 "[ . 1 . 2]" 1
239 4 13 ALA MB 4 15 VAL MG2 3.600 . 3.600 1.789 1.748 1.890 0.052 8 0 "[ . 1 . 2]" 1
240 4 13 ALA MB 4 37 LYS QE 3.600 . 3.600 3.616 3.540 3.660 0.060 5 0 "[ . 1 . 2]" 1
241 4 13 ALA MB 4 38 VAL HA 3.600 . 3.600 2.100 2.034 2.174 . 0 0 "[ . 1 . 2]" 1
242 4 13 ALA MB 4 38 VAL MG1 4.000 . 4.000 2.569 2.489 2.638 . 0 0 "[ . 1 . 2]" 1
243 4 13 ALA MB 4 38 VAL MG2 4.000 . 4.000 4.223 4.182 4.269 0.269 14 0 "[ . 1 . 2]" 1
244 4 13 ALA MB 4 41 ALA HA 5.500 . 5.500 4.333 4.287 4.410 . 0 0 "[ . 1 . 2]" 1
245 4 13 ALA MB 4 41 ALA MB 3.600 . 3.600 1.994 1.950 2.052 . 0 0 "[ . 1 . 2]" 1
246 4 14 GLY H 4 15 VAL H 3.600 . 3.600 2.157 2.096 2.207 . 0 0 "[ . 1 . 2]" 1
247 4 14 GLY H 4 15 VAL MG1 4.000 . 4.000 4.237 4.170 4.308 0.308 17 0 "[ . 1 . 2]" 1
248 4 14 GLY H 4 15 VAL MG2 3.600 . 3.600 3.094 3.029 3.195 . 0 0 "[ . 1 . 2]" 1
249 4 14 GLY H 4 20 VAL MG1 5.500 . 5.500 4.792 4.628 4.965 . 0 0 "[ . 1 . 2]" 1
250 4 14 GLY QA 4 15 VAL H 3.600 . 3.600 2.713 2.683 2.752 . 0 0 "[ . 1 . 2]" 1
251 4 14 GLY QA 4 15 VAL MG1 3.600 . 3.600 3.457 3.416 3.524 . 0 0 "[ . 1 . 2]" 1
252 4 14 GLY QA 4 15 VAL MG2 3.600 . 3.600 3.740 3.685 3.804 0.204 13 0 "[ . 1 . 2]" 1
253 4 15 VAL H 4 15 VAL MG1 3.600 . 3.600 3.180 3.117 3.238 . 0 0 "[ . 1 . 2]" 1
254 4 15 VAL H 4 15 VAL MG2 3.600 . 3.600 2.076 1.988 2.223 . 0 0 "[ . 1 . 2]" 1
255 4 15 VAL H 4 16 SER H 4.500 . 4.500 4.421 4.372 4.479 . 0 0 "[ . 1 . 2]" 1
256 4 15 VAL HA 4 15 VAL MG1 3.600 . 3.600 2.246 2.211 2.298 . 0 0 "[ . 1 . 2]" 1
257 4 15 VAL HA 4 19 THR MG 5.500 . 5.500 3.743 3.626 3.966 . 0 0 "[ . 1 . 2]" 1
258 4 15 VAL HB 4 16 SER H 3.600 . 3.600 2.736 2.580 2.819 . 0 0 "[ . 1 . 2]" 1
259 4 15 VAL MG1 4 16 SER H 3.600 . 3.600 3.600 3.514 3.691 0.091 19 0 "[ . 1 . 2]" 1
260 4 15 VAL MG1 4 19 THR HB 3.600 . 3.600 3.722 3.561 3.805 0.205 15 0 "[ . 1 . 2]" 1
261 4 15 VAL MG1 4 19 THR MG 3.600 . 3.600 2.231 2.041 2.447 . 0 0 "[ . 1 . 2]" 1
262 4 15 VAL MG1 4 37 LYS QE 3.600 . 3.600 2.635 1.978 3.120 . 0 0 "[ . 1 . 2]" 1
263 4 15 VAL MG2 4 16 SER H 3.600 . 3.600 3.815 3.733 3.884 0.284 12 0 "[ . 1 . 2]" 1
264 4 15 VAL MG2 4 19 THR HB 3.600 . 3.600 2.521 2.361 2.702 . 0 0 "[ . 1 . 2]" 1
265 4 15 VAL MG2 4 19 THR MG 3.600 . 3.600 2.570 2.401 2.779 . 0 0 "[ . 1 . 2]" 1
266 4 15 VAL MG2 4 37 LYS QE 3.600 . 3.600 3.677 3.348 3.836 0.236 17 0 "[ . 1 . 2]" 1
267 4 16 SER H 4 16 SER HB3 3.600 . 3.600 3.386 2.266 3.647 0.047 5 0 "[ . 1 . 2]" 1
268 4 16 SER H 4 17 TYR H 4.500 . 4.500 4.603 4.574 4.634 0.134 16 0 "[ . 1 . 2]" 1
269 4 16 SER H 4 19 THR HB 4.500 . 4.500 3.283 3.095 3.548 . 0 0 "[ . 1 . 2]" 1
270 4 16 SER H 4 19 THR MG 3.600 . 3.600 3.542 3.372 3.647 0.047 10 0 "[ . 1 . 2]" 1
271 4 16 SER H 4 38 VAL MG1 6.000 . 6.000 6.098 5.946 6.198 0.198 5 0 "[ . 1 . 2]" 1
272 4 16 SER HA 4 17 TYR H 3.600 . 3.600 2.279 2.204 2.336 . 0 0 "[ . 1 . 2]" 1
273 4 16 SER HA 4 17 TYR HA 4.500 . 4.500 4.257 4.181 4.368 . 0 0 "[ . 1 . 2]" 1
274 4 16 SER HA 4 17 TYR HB2 4.600 . 4.600 4.457 4.314 4.546 . 0 0 "[ . 1 . 2]" 1
275 4 16 SER HA 4 17 TYR HB3 4.500 . 4.500 4.655 4.595 4.721 0.221 9 0 "[ . 1 . 2]" 1
276 4 16 SER HA 4 18 GLN H 5.000 . 5.000 4.736 4.561 5.166 0.166 12 0 "[ . 1 . 2]" 1
277 4 16 SER HB2 4 17 TYR H 3.600 . 3.600 3.309 2.392 3.643 0.043 8 0 "[ . 1 . 2]" 1
278 4 16 SER HB2 4 18 GLN H 4.500 . 4.500 3.750 3.443 4.223 . 0 0 "[ . 1 . 2]" 1
279 4 16 SER HB3 4 17 TYR H 4.500 . 4.500 2.784 2.313 3.876 . 0 0 "[ . 1 . 2]" 1
280 4 17 TYR H 4 17 TYR HB2 3.600 . 3.600 2.408 2.281 2.499 . 0 0 "[ . 1 . 2]" 1
281 4 17 TYR H 4 17 TYR HB3 3.600 . 3.600 2.391 2.312 2.495 . 0 0 "[ . 1 . 2]" 1
282 4 17 TYR H 4 17 TYR QD 4.600 . 4.600 4.077 4.005 4.139 . 0 0 "[ . 1 . 2]" 1
283 4 17 TYR H 4 18 GLN H 3.600 . 3.600 2.942 2.750 3.197 . 0 0 "[ . 1 . 2]" 1
284 4 17 TYR HA 4 17 TYR QD 3.600 . 3.600 2.483 2.323 2.620 . 0 0 "[ . 1 . 2]" 1
285 4 17 TYR HA 4 17 TYR QE 4.300 . 4.300 4.508 4.428 4.613 0.313 13 0 "[ . 1 . 2]" 1
286 4 17 TYR HA 4 20 VAL MG1 4.600 . 4.600 3.167 2.945 3.345 . 0 0 "[ . 1 . 2]" 1
287 4 17 TYR HA 4 20 VAL MG2 3.600 . 3.600 3.766 3.679 3.894 0.294 19 0 "[ . 1 . 2]" 1
288 4 17 TYR HB2 4 17 TYR QE 4.600 2.800 4.600 4.393 4.329 4.457 . 0 0 "[ . 1 . 2]" 1
289 4 17 TYR HB2 4 18 GLN H 3.600 . 3.600 3.578 3.436 3.796 0.196 4 0 "[ . 1 . 2]" 1
290 4 17 TYR HB3 4 17 TYR QE 4.300 . 4.300 4.332 4.271 4.400 0.100 5 0 "[ . 1 . 2]" 1
291 4 17 TYR HB3 4 18 GLN H 3.600 . 3.600 2.079 1.909 2.342 . 0 0 "[ . 1 . 2]" 1
292 4 17 TYR QD 4 18 GLN H 3.600 . 3.600 2.927 2.458 3.240 . 0 0 "[ . 1 . 2]" 1
293 4 17 TYR QD 4 18 GLN QB 3.600 . 3.600 3.533 2.943 3.949 0.349 4 0 "[ . 1 . 2]" 1
294 4 17 TYR QD 4 18 GLN QG 4.600 . 4.600 3.086 1.703 4.523 0.097 1 0 "[ . 1 . 2]" 1
295 4 17 TYR QD 4 20 VAL MG1 4.600 . 4.600 4.665 4.558 4.723 0.123 6 0 "[ . 1 . 2]" 1
296 4 17 TYR QD 4 20 VAL MG2 4.600 . 4.600 4.350 4.247 4.460 . 0 0 "[ . 1 . 2]" 1
297 4 17 TYR QE 4 18 GLN QG 5.000 . 5.000 4.520 3.172 5.127 0.127 10 0 "[ . 1 . 2]" 1
298 4 17 TYR QE 4 20 VAL MG2 4.600 . 4.600 4.845 4.755 4.953 0.353 14 0 "[ . 1 . 2]" 1
299 4 18 GLN H 4 18 GLN QB 3.600 . 3.600 2.712 1.955 3.097 . 0 0 "[ . 1 . 2]" 1
300 4 18 GLN H 4 19 THR H 3.600 . 3.600 2.835 2.658 3.127 . 0 0 "[ . 1 . 2]" 1
301 4 18 GLN HA 4 18 GLN QG 3.600 . 3.600 2.921 2.127 3.282 . 0 0 "[ . 1 . 2]" 1
302 4 18 GLN QB 4 19 THR H 5.500 . 5.500 3.823 3.522 4.018 . 0 0 "[ . 1 . 2]" 1
303 4 18 GLN QG 4 19 THR H 5.500 . 5.500 4.046 3.185 5.109 . 0 0 "[ . 1 . 2]" 1
304 4 19 THR H 4 19 THR HB 3.600 . 3.600 2.566 2.380 2.917 . 0 0 "[ . 1 . 2]" 1
305 4 19 THR H 4 19 THR MG 3.600 . 3.600 3.796 3.714 3.926 0.326 20 0 "[ . 1 . 2]" 1
306 4 19 THR H 4 20 VAL H 3.600 . 3.600 2.390 2.145 2.734 . 0 0 "[ . 1 . 2]" 1
307 4 19 THR H 4 20 VAL MG1 3.600 . 3.600 3.320 3.126 3.729 0.129 19 0 "[ . 1 . 2]" 1
308 4 19 THR HA 4 19 THR MG 3.600 . 3.600 2.411 2.333 2.531 . 0 0 "[ . 1 . 2]" 1
309 4 19 THR HA 4 20 VAL H 3.600 . 3.600 3.492 3.425 3.590 . 0 0 "[ . 1 . 2]" 1
310 4 19 THR HA 4 20 VAL HA 4.600 . 4.600 4.732 4.671 4.826 0.226 4 0 "[ . 1 . 2]" 1
311 4 19 THR HA 4 22 ARG QB 3.600 . 3.600 3.549 3.320 3.853 0.253 14 0 "[ . 1 . 2]" 1
312 4 19 THR HA 4 22 ARG QD 3.600 . 3.600 3.481 3.233 3.734 0.134 12 0 "[ . 1 . 2]" 1
313 4 19 THR HA 4 22 ARG QG 5.500 . 5.500 4.932 4.056 5.379 . 0 0 "[ . 1 . 2]" 1
314 4 19 THR HB 4 21 SER H 4.500 . 4.500 4.470 4.217 4.674 0.174 14 0 "[ . 1 . 2]" 1
315 4 19 THR MG 4 20 VAL H 3.600 . 3.600 3.025 2.774 3.255 . 0 0 "[ . 1 . 2]" 1
316 4 19 THR MG 4 20 VAL HA 3.600 . 3.600 3.466 3.198 3.784 0.184 20 0 "[ . 1 . 2]" 1
317 4 19 THR MG 4 23 VAL H 5.500 . 5.500 5.114 4.881 5.365 . 0 0 "[ . 1 . 2]" 1
318 4 19 THR MG 4 35 ARG HA 5.500 . 5.500 5.603 5.385 5.746 0.246 3 0 "[ . 1 . 2]" 1
319 4 20 VAL H 4 20 VAL HB 3.600 . 3.600 3.393 3.172 3.536 . 0 0 "[ . 1 . 2]" 1
320 4 20 VAL H 4 20 VAL MG2 3.600 . 3.600 3.198 3.119 3.317 . 0 0 "[ . 1 . 2]" 1
321 4 20 VAL H 4 21 SER H 3.600 . 3.600 2.605 2.497 2.750 . 0 0 "[ . 1 . 2]" 1
322 4 20 VAL H 4 23 VAL MG2 4.000 . 4.000 3.835 3.701 3.980 . 0 0 "[ . 1 . 2]" 1
323 4 20 VAL HA 4 20 VAL MG1 3.600 . 3.600 2.883 2.715 3.051 . 0 0 "[ . 1 . 2]" 1
324 4 20 VAL HA 4 21 SER H 3.600 . 3.600 3.532 3.495 3.586 . 0 0 "[ . 1 . 2]" 1
325 4 20 VAL HA 4 23 VAL H 3.600 . 3.600 3.018 2.889 3.127 . 0 0 "[ . 1 . 2]" 1
326 4 20 VAL HA 4 23 VAL HA 4.500 . 4.500 4.657 4.566 4.777 0.277 12 0 "[ . 1 . 2]" 1
327 4 20 VAL HA 4 23 VAL HB 3.600 . 3.600 2.348 2.196 2.496 . 0 0 "[ . 1 . 2]" 1
328 4 20 VAL HA 4 23 VAL MG1 3.600 . 3.600 3.451 3.273 3.593 . 0 0 "[ . 1 . 2]" 1
329 4 20 VAL HA 4 23 VAL MG2 3.600 . 3.600 1.740 1.608 1.879 0.192 18 0 "[ . 1 . 2]" 1
330 4 20 VAL HA 4 24 VAL H 4.500 . 4.500 4.080 3.907 4.192 . 0 0 "[ . 1 . 2]" 1
331 4 20 VAL HB 4 21 SER H 4.200 . 4.200 4.314 4.263 4.387 0.187 3 0 "[ . 1 . 2]" 1
332 4 20 VAL HB 4 23 VAL MG1 3.600 . 3.600 3.877 3.765 4.024 0.424 5 0 "[ . 1 . 2]" 1
333 4 20 VAL MG1 4 21 SER H 3.600 . 3.600 3.063 2.921 3.206 . 0 0 "[ . 1 . 2]" 1
334 4 20 VAL MG1 4 38 VAL H 5.500 . 5.500 4.801 4.653 4.908 . 0 0 "[ . 1 . 2]" 1
335 4 20 VAL MG1 4 38 VAL HA 3.600 . 3.600 3.455 3.268 3.614 0.014 1 0 "[ . 1 . 2]" 1
336 4 20 VAL MG2 4 21 SER H 3.600 . 3.600 2.710 2.556 2.817 . 0 0 "[ . 1 . 2]" 1
337 4 20 VAL MG2 4 38 VAL H 5.500 . 5.500 5.589 5.516 5.711 0.211 19 0 "[ . 1 . 2]" 1
338 4 20 VAL MG2 4 38 VAL HA 4.000 . 4.000 3.883 3.787 4.017 0.017 13 0 "[ . 1 . 2]" 1
339 4 21 SER H 4 21 SER QB 3.600 . 3.600 2.380 2.169 2.648 . 0 0 "[ . 1 . 2]" 1
340 4 21 SER H 4 22 ARG H 3.600 . 3.600 2.623 2.545 2.787 . 0 0 "[ . 1 . 2]" 1
341 4 21 SER HA 4 22 ARG H 3.600 . 3.600 3.485 3.449 3.527 . 0 0 "[ . 1 . 2]" 1
342 4 21 SER HA 4 23 VAL H 4.000 . 4.000 3.922 3.820 4.046 0.046 17 0 "[ . 1 . 2]" 1
343 4 21 SER QB 4 22 ARG H 3.600 . 3.600 2.805 2.645 3.477 . 0 0 "[ . 1 . 2]" 1
344 4 22 ARG H 4 22 ARG QB 3.600 . 3.600 2.042 1.987 2.273 . 0 0 "[ . 1 . 2]" 1
345 4 22 ARG H 4 22 ARG QD 5.500 . 5.500 4.004 3.470 4.188 . 0 0 "[ . 1 . 2]" 1
346 4 22 ARG H 4 22 ARG QG 3.600 . 3.600 3.556 2.734 3.740 0.140 1 0 "[ . 1 . 2]" 1
347 4 22 ARG H 4 23 VAL MG1 5.500 . 5.500 5.555 5.513 5.603 0.103 19 0 "[ . 1 . 2]" 1
348 4 22 ARG H 4 23 VAL MG2 5.500 . 5.500 3.714 3.499 3.925 . 0 0 "[ . 1 . 2]" 1
349 4 22 ARG H 4 27 ALA MB 5.500 . 5.500 5.319 4.433 5.643 0.143 14 0 "[ . 1 . 2]" 1
350 4 22 ARG HA 4 22 ARG QG 3.600 . 3.600 2.860 2.317 3.206 . 0 0 "[ . 1 . 2]" 1
351 4 22 ARG HA 4 25 ASN H 3.600 . 3.600 3.308 3.103 3.544 . 0 0 "[ . 1 . 2]" 1
352 4 22 ARG HA 4 25 ASN QB 5.500 . 5.500 2.484 2.145 2.903 . 0 0 "[ . 1 . 2]" 1
353 4 22 ARG HA 4 26 GLN H 4.600 . 4.600 4.704 4.586 4.872 0.272 4 0 "[ . 1 . 2]" 1
354 4 22 ARG QB 4 23 VAL HA 5.500 . 5.500 4.500 3.766 4.763 . 0 0 "[ . 1 . 2]" 1
355 4 22 ARG QD 4 27 ALA MB 3.600 . 3.600 3.633 3.135 3.896 0.296 20 0 "[ . 1 . 2]" 1
356 4 22 ARG QD 4 30 VAL QG 3.600 . 3.600 2.164 1.715 3.658 0.085 3 0 "[ . 1 . 2]" 1
357 4 23 VAL H 4 23 VAL HB 3.600 . 3.600 2.388 2.328 2.457 . 0 0 "[ . 1 . 2]" 1
358 4 23 VAL H 4 23 VAL MG1 3.600 . 3.600 3.694 3.670 3.714 0.114 19 0 "[ . 1 . 2]" 1
359 4 23 VAL H 4 23 VAL MG2 3.600 . 3.600 2.213 1.967 2.407 . 0 0 "[ . 1 . 2]" 1
360 4 23 VAL H 4 24 VAL H 3.600 . 3.600 2.604 2.565 2.691 . 0 0 "[ . 1 . 2]" 1
361 4 23 VAL H 4 25 ASN H 3.600 . 3.600 3.693 3.596 3.767 0.167 13 0 "[ . 1 . 2]" 1
362 4 23 VAL HA 4 23 VAL MG1 3.600 . 3.600 2.520 2.427 2.579 . 0 0 "[ . 1 . 2]" 1
363 4 23 VAL HA 4 23 VAL MG2 3.600 . 3.600 2.295 2.222 2.383 . 0 0 "[ . 1 . 2]" 1
364 4 23 VAL HA 4 24 VAL H 3.600 . 3.600 3.529 3.517 3.548 . 0 0 "[ . 1 . 2]" 1
365 4 23 VAL HA 4 26 GLN H 3.600 . 3.600 3.877 3.625 4.167 0.567 10 3 "[ -. + * . 2]" 1
366 4 23 VAL HA 4 27 ALA H 4.500 . 4.500 3.313 2.736 5.453 0.953 13 1 "[ . 1 + . 2]" 1
367 4 23 VAL HA 4 27 ALA HA 3.600 . 3.600 3.331 2.397 6.391 2.791 13 2 "[ . 1 + . - 2]" 1
368 4 23 VAL HA 4 27 ALA MB 3.600 . 3.600 1.464 1.072 3.757 0.728 5 9 "[ *+** * *.* -*2]" 1
369 4 23 VAL HB 4 24 VAL H 3.600 . 3.600 2.283 2.222 2.360 . 0 0 "[ . 1 . 2]" 1
370 4 23 VAL HB 4 25 ASN H 5.000 . 5.000 4.590 4.512 4.645 . 0 0 "[ . 1 . 2]" 1
371 4 23 VAL HB 4 38 VAL MG2 3.600 . 3.600 2.611 2.383 2.844 . 0 0 "[ . 1 . 2]" 1
372 4 23 VAL MG1 4 35 ARG HA 3.600 . 3.600 2.795 2.376 3.155 . 0 0 "[ . 1 . 2]" 1
373 4 23 VAL MG1 4 35 ARG QB 3.600 . 3.600 3.424 3.042 3.681 0.081 6 0 "[ . 1 . 2]" 1
374 4 23 VAL MG1 4 35 ARG QD 3.600 . 3.600 3.390 2.871 3.719 0.119 8 0 "[ . 1 . 2]" 1
375 4 23 VAL MG1 4 35 ARG QG 3.600 . 3.600 2.305 1.798 2.899 0.002 20 0 "[ . 1 . 2]" 1
376 4 23 VAL MG1 4 38 VAL HB 5.500 . 5.500 3.650 3.482 3.825 . 0 0 "[ . 1 . 2]" 1
377 4 23 VAL MG1 4 39 GLU QG 3.600 . 3.600 3.388 2.788 3.744 0.144 3 0 "[ . 1 . 2]" 1
378 4 23 VAL MG2 4 34 THR HA 5.500 . 5.500 5.253 4.714 5.539 0.039 19 0 "[ . 1 . 2]" 1
379 4 23 VAL MG2 4 35 ARG HA 3.600 . 3.600 2.888 2.584 3.082 . 0 0 "[ . 1 . 2]" 1
380 4 24 VAL H 4 24 VAL HB 3.600 . 3.600 2.361 2.113 2.526 . 0 0 "[ . 1 . 2]" 1
381 4 24 VAL H 4 24 VAL MG2 3.500 . 3.500 2.396 2.162 2.971 . 0 0 "[ . 1 . 2]" 1
382 4 24 VAL HA 4 24 VAL MG1 3.600 . 3.600 2.562 2.422 2.845 . 0 0 "[ . 1 . 2]" 1
383 4 24 VAL HA 4 24 VAL MG2 3.600 . 3.600 2.249 2.151 2.328 . 0 0 "[ . 1 . 2]" 1
384 4 24 VAL HA 4 25 ASN H 3.600 . 3.600 3.442 3.419 3.464 . 0 0 "[ . 1 . 2]" 1
385 4 24 VAL HA 4 25 ASN QD 4.600 . 4.600 4.790 4.623 4.859 0.259 1 0 "[ . 1 . 2]" 1
386 4 24 VAL HB 4 25 ASN H 3.600 . 3.600 3.293 3.180 3.506 . 0 0 "[ . 1 . 2]" 1
387 4 24 VAL MG1 4 25 ASN QD 3.600 . 3.600 2.872 2.304 3.256 . 0 0 "[ . 1 . 2]" 1
388 4 24 VAL MG1 4 26 GLN H 4.600 . 4.600 4.666 4.550 4.763 0.163 14 0 "[ . 1 . 2]" 1
389 4 24 VAL MG1 4 47 TYR QE 3.600 . 3.600 3.161 2.836 3.504 . 0 0 "[ . 1 . 2]" 1
390 4 24 VAL MG2 4 25 ASN QD 4.600 . 4.600 4.381 4.164 4.585 . 0 0 "[ . 1 . 2]" 1
391 4 24 VAL MG2 4 42 MET ME 3.600 . 3.600 1.915 1.790 2.034 0.010 6 0 "[ . 1 . 2]" 1
392 4 24 VAL MG2 4 47 TYR QD 3.600 . 3.600 3.788 3.649 3.910 0.310 17 0 "[ . 1 . 2]" 1
393 4 24 VAL MG2 4 47 TYR QE 3.600 . 3.600 2.289 2.004 2.764 . 0 0 "[ . 1 . 2]" 1
394 4 25 ASN H 4 25 ASN QB 3.600 . 3.600 2.272 2.208 2.376 . 0 0 "[ . 1 . 2]" 1
395 4 25 ASN H 4 25 ASN QD 3.600 . 3.600 2.874 2.770 2.987 . 0 0 "[ . 1 . 2]" 1
396 4 25 ASN H 4 26 GLN H 3.600 . 3.600 2.333 2.129 2.500 . 0 0 "[ . 1 . 2]" 1
397 4 25 ASN H 4 27 ALA HA 5.000 . 5.000 5.187 5.104 5.366 0.366 13 0 "[ . 1 . 2]" 1
398 4 25 ASN QB 4 26 GLN H 5.500 . 5.500 3.429 3.227 3.677 . 0 0 "[ . 1 . 2]" 1
399 4 26 GLN H 4 26 GLN QB 3.600 . 3.600 3.409 3.071 3.494 . 0 0 "[ . 1 . 2]" 1
400 4 26 GLN H 4 26 GLN QG 3.600 . 3.600 3.322 3.043 3.935 0.335 15 0 "[ . 1 . 2]" 1
401 4 26 GLN H 4 27 ALA H 3.600 . 3.600 2.548 2.242 3.068 . 0 0 "[ . 1 . 2]" 1
402 4 26 GLN H 4 27 ALA MB 3.600 . 3.600 3.606 3.276 3.895 0.295 17 0 "[ . 1 . 2]" 1
403 4 26 GLN QB 4 26 GLN NE2 3.600 . 3.600 2.866 2.229 3.756 0.156 19 0 "[ . 1 . 2]" 1
404 4 26 GLN QG 4 27 ALA H 5.500 . 5.500 3.440 1.776 4.742 0.024 14 0 "[ . 1 . 2]" 1
405 4 27 ALA H 4 27 ALA MB 3.600 . 3.600 2.503 2.033 2.888 . 0 0 "[ . 1 . 2]" 1
406 4 28 SER H 4 29 HIS H 3.600 . 3.600 2.488 1.731 2.835 0.069 13 0 "[ . 1 . 2]" 1
407 4 28 SER HA 4 29 HIS H 3.600 . 3.600 3.374 3.159 3.478 . 0 0 "[ . 1 . 2]" 1
408 4 28 SER QB 4 29 HIS H 3.600 . 3.600 3.442 2.914 3.704 0.104 1 0 "[ . 1 . 2]" 1
409 4 28 SER QB 4 29 HIS HD2 5.500 . 5.500 4.035 3.194 4.813 . 0 0 "[ . 1 . 2]" 1
410 4 29 HIS H 4 29 HIS HB2 3.600 . 3.600 2.644 2.516 2.842 . 0 0 "[ . 1 . 2]" 1
411 4 29 HIS H 4 29 HIS HB3 3.600 . 3.600 3.726 3.647 3.775 0.175 18 0 "[ . 1 . 2]" 1
412 4 29 HIS H 4 29 HIS HD2 4.500 . 4.500 4.399 3.769 4.605 0.105 13 0 "[ . 1 . 2]" 1
413 4 29 HIS H 4 30 VAL H 3.600 . 3.600 3.618 3.172 3.782 0.182 6 0 "[ . 1 . 2]" 1
414 4 29 HIS H 4 30 VAL QG 3.600 . 3.600 2.892 2.636 3.528 . 0 0 "[ . 1 . 2]" 1
415 4 29 HIS HA 4 30 VAL H 3.600 . 3.600 2.320 2.173 3.184 . 0 0 "[ . 1 . 2]" 1
416 4 29 HIS HB3 4 29 HIS HD2 3.600 . 3.600 3.536 3.237 3.801 0.201 6 0 "[ . 1 . 2]" 1
417 4 30 VAL H 4 30 VAL HB 3.600 . 3.600 3.680 2.985 3.876 0.276 5 0 "[ . 1 . 2]" 1
418 4 30 VAL H 4 30 VAL QG 3.600 . 3.600 2.446 2.221 2.972 . 0 0 "[ . 1 . 2]" 1
419 4 30 VAL H 4 31 SER H 4.500 . 4.500 4.365 4.323 4.398 . 0 0 "[ . 1 . 2]" 1
420 4 30 VAL HB 4 31 SER H 3.600 . 3.600 2.534 1.749 3.791 0.191 12 0 "[ . 1 . 2]" 1
421 4 30 VAL QG 4 31 SER H 3.600 . 3.600 2.621 1.771 3.120 0.029 16 0 "[ . 1 . 2]" 1
422 4 30 VAL QG 4 31 SER HA 3.600 . 3.600 3.744 3.539 3.869 0.269 17 0 "[ . 1 . 2]" 1
423 4 31 SER H 4 31 SER QB 3.600 . 3.600 2.805 2.438 3.052 . 0 0 "[ . 1 . 2]" 1
424 4 31 SER H 4 32 ALA H 4.600 . 4.600 4.493 4.438 4.549 . 0 0 "[ . 1 . 2]" 1
425 4 31 SER HA 4 32 ALA H 3.600 . 3.600 2.516 2.337 2.667 . 0 0 "[ . 1 . 2]" 1
426 4 31 SER QB 4 32 ALA H 3.600 . 3.600 2.238 2.068 2.503 . 0 0 "[ . 1 . 2]" 1
427 4 31 SER QB 4 32 ALA MB 3.600 . 3.600 3.677 3.587 3.758 0.158 3 0 "[ . 1 . 2]" 1
428 4 32 ALA H 4 32 ALA MB 3.600 . 3.600 2.211 2.171 2.244 . 0 0 "[ . 1 . 2]" 1
429 4 32 ALA H 4 33 LYS H 3.600 . 3.600 2.965 2.714 3.149 . 0 0 "[ . 1 . 2]" 1
430 4 32 ALA HA 4 35 ARG QB 3.600 . 3.600 3.403 2.985 3.663 0.063 13 0 "[ . 1 . 2]" 1
431 4 32 ALA HA 4 35 ARG HE 3.600 . 3.600 3.406 2.820 3.683 0.083 16 0 "[ . 1 . 2]" 1
432 4 33 LYS H 4 33 LYS QB 3.600 . 3.600 2.435 2.105 2.694 . 0 0 "[ . 1 . 2]" 1
433 4 33 LYS H 4 33 LYS QD 3.600 . 3.600 3.504 2.673 3.776 0.176 13 0 "[ . 1 . 2]" 1
434 4 33 LYS H 4 33 LYS QG 4.000 . 4.000 2.647 1.760 4.048 0.048 7 0 "[ . 1 . 2]" 1
435 4 33 LYS HA 4 37 LYS H 4.000 . 4.000 4.116 4.047 4.235 0.235 3 0 "[ . 1 . 2]" 1
436 4 33 LYS QB 4 34 THR H 3.600 . 3.600 3.109 2.274 3.570 . 0 0 "[ . 1 . 2]" 1
437 4 33 LYS QB 4 37 LYS QE 3.600 . 3.600 3.719 3.655 3.879 0.279 17 0 "[ . 1 . 2]" 1
438 4 33 LYS QG 4 34 THR H 3.600 . 3.600 2.765 2.083 3.951 0.351 17 0 "[ . 1 . 2]" 1
439 4 33 LYS QG 4 37 LYS QE 3.600 . 3.600 3.577 3.342 3.690 0.090 10 0 "[ . 1 . 2]" 1
440 4 34 THR H 4 34 THR MG 3.600 . 3.600 3.712 3.689 3.736 0.136 12 0 "[ . 1 . 2]" 1
441 4 34 THR H 4 35 ARG H 3.600 . 3.600 2.842 2.709 2.975 . 0 0 "[ . 1 . 2]" 1
442 4 34 THR HA 4 34 THR MG 3.600 . 3.600 2.334 2.275 2.439 . 0 0 "[ . 1 . 2]" 1
443 4 34 THR HA 4 35 ARG H 4.500 . 4.500 3.568 3.531 3.588 . 0 0 "[ . 1 . 2]" 1
444 4 34 THR HA 4 37 LYS H 3.600 . 3.600 3.491 3.329 3.650 0.050 13 0 "[ . 1 . 2]" 1
445 4 34 THR HA 4 37 LYS QB 5.500 . 5.500 2.799 2.332 4.440 . 0 0 "[ . 1 . 2]" 1
446 4 34 THR HA 4 37 LYS QE 3.600 . 3.600 2.885 2.288 3.319 . 0 0 "[ . 1 . 2]" 1
447 4 34 THR HA 4 38 VAL MG1 3.600 . 3.600 3.412 3.267 3.547 . 0 0 "[ . 1 . 2]" 1
448 4 34 THR HB 4 35 ARG H 3.600 . 3.600 2.465 2.314 2.625 . 0 0 "[ . 1 . 2]" 1
449 4 34 THR MG 4 35 ARG H 3.600 . 3.600 3.528 3.290 3.643 0.043 7 0 "[ . 1 . 2]" 1
450 4 34 THR MG 4 37 LYS H 5.500 . 5.500 4.517 4.410 4.617 . 0 0 "[ . 1 . 2]" 1
451 4 34 THR MG 4 38 VAL H 3.600 . 3.600 3.785 3.700 3.848 0.248 14 0 "[ . 1 . 2]" 1
452 4 35 ARG H 4 35 ARG QB 3.600 . 3.600 2.332 2.040 2.513 . 0 0 "[ . 1 . 2]" 1
453 4 35 ARG H 4 35 ARG QD 5.500 . 5.500 4.182 2.907 4.768 . 0 0 "[ . 1 . 2]" 1
454 4 35 ARG H 4 35 ARG HE 4.500 . 4.500 4.154 3.376 4.565 0.065 5 0 "[ . 1 . 2]" 1
455 4 35 ARG H 4 35 ARG QG 3.600 . 3.600 2.595 2.088 3.724 0.124 6 0 "[ . 1 . 2]" 1
456 4 35 ARG H 4 36 GLU QG 3.600 . 3.600 3.712 3.669 3.738 0.138 3 0 "[ . 1 . 2]" 1
457 4 35 ARG HA 4 35 ARG QG 3.600 . 3.600 2.350 2.205 2.489 . 0 0 "[ . 1 . 2]" 1
458 4 35 ARG HA 4 38 VAL H 4.500 . 4.500 3.536 3.364 3.727 . 0 0 "[ . 1 . 2]" 1
459 4 35 ARG HA 4 38 VAL HB 5.000 . 5.000 4.813 4.577 5.000 0.000 13 0 "[ . 1 . 2]" 1
460 4 35 ARG HA 4 39 GLU H 4.500 . 4.500 3.658 3.431 3.907 . 0 0 "[ . 1 . 2]" 1
461 4 35 ARG QB 4 35 ARG HE 3.600 . 3.600 2.307 1.893 3.592 . 0 0 "[ . 1 . 2]" 1
462 4 35 ARG HE 4 35 ARG QG 3.600 . 3.600 2.748 2.177 3.112 . 0 0 "[ . 1 . 2]" 1
463 4 35 ARG QG 4 39 GLU H 5.500 . 5.500 5.314 4.442 5.565 0.065 13 0 "[ . 1 . 2]" 1
464 4 36 GLU H 4 36 GLU QB 3.600 . 3.600 2.620 2.537 2.821 . 0 0 "[ . 1 . 2]" 1
465 4 36 GLU H 4 36 GLU QG 3.600 . 3.600 1.895 1.799 2.058 0.001 6 0 "[ . 1 . 2]" 1
466 4 36 GLU H 4 37 LYS H 3.600 . 3.600 2.548 2.486 2.677 . 0 0 "[ . 1 . 2]" 1
467 4 36 GLU H 4 38 VAL H 4.000 . 4.000 4.170 4.125 4.250 0.250 13 0 "[ . 1 . 2]" 1
468 4 36 GLU HA 4 36 GLU QG 3.600 . 3.600 2.732 2.498 3.312 . 0 0 "[ . 1 . 2]" 1
469 4 36 GLU HA 4 37 LYS H 3.600 . 3.600 3.500 3.471 3.568 . 0 0 "[ . 1 . 2]" 1
470 4 36 GLU HA 4 38 VAL H 4.600 . 4.600 4.633 4.466 4.696 0.096 2 0 "[ . 1 . 2]" 1
471 4 36 GLU QB 4 37 LYS H 3.600 . 3.600 2.770 2.499 3.513 . 0 0 "[ . 1 . 2]" 1
472 4 37 LYS H 4 37 LYS QB 3.600 . 3.600 2.246 2.074 2.843 . 0 0 "[ . 1 . 2]" 1
473 4 37 LYS H 4 37 LYS QD 3.600 . 3.600 3.338 2.942 3.875 0.275 3 0 "[ . 1 . 2]" 1
474 4 37 LYS H 4 38 VAL H 3.600 . 3.600 2.543 2.439 2.652 . 0 0 "[ . 1 . 2]" 1
475 4 37 LYS H 4 38 VAL MG1 3.600 . 3.600 3.712 3.646 3.769 0.169 3 0 "[ . 1 . 2]" 1
476 4 37 LYS H 4 39 GLU H 4.500 . 4.500 4.043 3.891 4.278 . 0 0 "[ . 1 . 2]" 1
477 4 37 LYS H 4 40 ALA H 4.300 . 4.300 4.423 4.383 4.481 0.181 5 0 "[ . 1 . 2]" 1
478 4 37 LYS HA 4 37 LYS QG 3.600 . 3.600 2.346 2.068 3.367 . 0 0 "[ . 1 . 2]" 1
479 4 37 LYS HA 4 38 VAL H 3.600 . 3.600 3.553 3.539 3.560 . 0 0 "[ . 1 . 2]" 1
480 4 37 LYS HA 4 40 ALA H 3.600 . 3.600 3.463 3.099 3.613 0.013 19 0 "[ . 1 . 2]" 1
481 4 37 LYS QB 4 38 VAL H 3.600 . 3.600 2.703 2.544 3.570 . 0 0 "[ . 1 . 2]" 1
482 4 38 VAL H 4 38 VAL MG2 3.600 . 3.600 2.397 2.328 2.476 . 0 0 "[ . 1 . 2]" 1
483 4 38 VAL H 4 39 GLU H 3.600 . 3.600 2.621 2.528 2.692 . 0 0 "[ . 1 . 2]" 1
484 4 38 VAL H 4 41 ALA H 4.500 . 4.500 4.593 4.555 4.637 0.137 13 0 "[ . 1 . 2]" 1
485 4 38 VAL H 4 41 ALA MB 4.600 . 4.600 4.575 4.498 4.628 0.028 11 0 "[ . 1 . 2]" 1
486 4 38 VAL HA 4 38 VAL MG1 3.600 . 3.600 2.504 2.476 2.540 . 0 0 "[ . 1 . 2]" 1
487 4 38 VAL HA 4 38 VAL MG2 3.600 . 3.600 3.176 3.165 3.187 . 0 0 "[ . 1 . 2]" 1
488 4 38 VAL HA 4 39 GLU H 3.600 . 3.600 3.552 3.524 3.578 . 0 0 "[ . 1 . 2]" 1
489 4 38 VAL HA 4 41 ALA H 3.600 . 3.600 3.408 3.323 3.452 . 0 0 "[ . 1 . 2]" 1
490 4 38 VAL HA 4 41 ALA MB 4.200 . 4.200 2.441 2.364 2.521 . 0 0 "[ . 1 . 2]" 1
491 4 38 VAL HB 4 39 GLU H 3.600 . 3.600 3.790 3.737 3.835 0.235 17 0 "[ . 1 . 2]" 1
492 4 38 VAL MG1 4 39 GLU H 3.600 . 3.600 3.580 3.523 3.631 0.031 16 0 "[ . 1 . 2]" 1
493 4 38 VAL MG2 4 39 GLU H 3.600 . 3.600 1.932 1.875 1.993 . 0 0 "[ . 1 . 2]" 1
494 4 38 VAL MG2 4 39 GLU HA 3.600 . 3.600 2.954 2.920 2.987 . 0 0 "[ . 1 . 2]" 1
495 4 38 VAL MG2 4 39 GLU QG 3.600 . 3.600 2.881 2.536 3.248 . 0 0 "[ . 1 . 2]" 1
496 4 38 VAL MG2 4 42 MET ME 3.600 . 3.600 2.208 2.045 2.370 . 0 0 "[ . 1 . 2]" 1
497 4 38 VAL MG2 4 42 MET QG 3.600 . 3.600 3.817 3.742 3.870 0.270 8 0 "[ . 1 . 2]" 1
498 4 39 GLU H 4 39 GLU QG 3.600 . 3.600 3.039 2.728 3.418 . 0 0 "[ . 1 . 2]" 1
499 4 39 GLU H 4 40 ALA H 3.600 . 3.600 2.698 2.647 2.779 . 0 0 "[ . 1 . 2]" 1
500 4 39 GLU H 4 41 ALA H 4.500 . 4.500 4.297 4.249 4.352 . 0 0 "[ . 1 . 2]" 1
501 4 39 GLU H 4 42 MET ME 3.600 . 3.600 3.674 3.654 3.690 0.090 12 0 "[ . 1 . 2]" 1
502 4 39 GLU HA 4 39 GLU QG 3.600 . 3.600 2.155 2.019 2.286 . 0 0 "[ . 1 . 2]" 1
503 4 39 GLU HA 4 40 ALA H 3.600 . 3.600 3.546 3.537 3.560 . 0 0 "[ . 1 . 2]" 1
504 4 39 GLU HA 4 42 MET QG 5.500 . 5.500 1.992 1.836 2.158 . 0 0 "[ . 1 . 2]" 1
505 4 39 GLU QG 4 40 ALA H 5.500 . 5.500 4.416 4.332 4.576 . 0 0 "[ . 1 . 2]" 1
506 4 39 GLU QG 4 43 ALA H 5.500 . 5.500 5.498 5.151 5.600 0.100 8 0 "[ . 1 . 2]" 1
507 4 40 ALA H 4 40 ALA MB 3.600 . 3.600 2.147 2.126 2.166 . 0 0 "[ . 1 . 2]" 1
508 4 40 ALA H 4 41 ALA H 3.600 . 3.600 2.725 2.698 2.764 . 0 0 "[ . 1 . 2]" 1
509 4 40 ALA MB 4 41 ALA H 3.600 . 3.600 2.394 2.355 2.428 . 0 0 "[ . 1 . 2]" 1
510 4 41 ALA H 4 41 ALA MB 3.600 . 3.600 2.180 2.172 2.191 . 0 0 "[ . 1 . 2]" 1
511 4 41 ALA HA 4 44 GLU H 3.600 . 3.600 3.634 3.612 3.658 0.058 17 0 "[ . 1 . 2]" 1
512 4 41 ALA HA 4 44 GLU QB 3.600 . 3.600 3.221 3.155 3.289 . 0 0 "[ . 1 . 2]" 1
513 4 41 ALA HA 4 44 GLU QG 3.600 . 3.600 2.960 2.623 3.178 . 0 0 "[ . 1 . 2]" 1
514 4 41 ALA MB 4 42 MET H 3.600 . 3.600 2.329 2.295 2.354 . 0 0 "[ . 1 . 2]" 1
515 4 41 ALA MB 4 43 ALA H 4.000 . 4.000 4.211 4.200 4.227 0.227 12 0 "[ . 1 . 2]" 1
516 4 41 ALA MB 4 44 GLU H 4.600 . 4.600 4.686 4.673 4.710 0.110 7 0 "[ . 1 . 2]" 1
517 4 41 ALA MB 4 45 LEU QD 3.600 . 3.600 3.132 3.076 3.187 . 0 0 "[ . 1 . 2]" 1
518 4 42 MET H 4 42 MET QB 3.600 . 3.600 2.630 2.603 2.657 . 0 0 "[ . 1 . 2]" 1
519 4 42 MET H 4 42 MET QG 3.600 . 3.600 1.977 1.942 2.008 . 0 0 "[ . 1 . 2]" 1
520 4 42 MET H 4 43 ALA H 3.600 . 3.600 2.595 2.577 2.609 . 0 0 "[ . 1 . 2]" 1
521 4 42 MET H 4 47 TYR QD 5.000 . 5.000 5.029 4.995 5.073 0.073 14 0 "[ . 1 . 2]" 1
522 4 42 MET HA 4 42 MET ME 3.600 . 3.600 3.808 3.790 3.829 0.229 18 0 "[ . 1 . 2]" 1
523 4 42 MET HA 4 42 MET QG 3.600 . 3.600 3.330 3.323 3.335 . 0 0 "[ . 1 . 2]" 1
524 4 42 MET HA 4 43 ALA H 3.600 . 3.600 3.480 3.471 3.488 . 0 0 "[ . 1 . 2]" 1
525 4 42 MET HA 4 45 LEU H 4.500 . 4.500 3.670 3.625 3.736 . 0 0 "[ . 1 . 2]" 1
526 4 42 MET HA 4 45 LEU QD 3.600 . 3.600 3.660 3.595 3.702 0.102 19 0 "[ . 1 . 2]" 1
527 4 42 MET HA 4 47 TYR HB2 3.600 . 3.600 2.451 2.231 2.663 . 0 0 "[ . 1 . 2]" 1
528 4 42 MET HA 4 47 TYR HB3 3.600 . 3.600 3.236 2.614 3.681 0.081 6 0 "[ . 1 . 2]" 1
529 4 42 MET HA 4 47 TYR QD 3.600 . 3.600 3.649 3.563 3.729 0.129 3 0 "[ . 1 . 2]" 1
530 4 42 MET QB 4 43 ALA H 3.600 . 3.600 3.590 3.571 3.612 0.012 13 0 "[ . 1 . 2]" 1
531 4 42 MET QB 4 47 TYR QD 3.600 . 3.600 1.845 1.783 1.917 0.017 5 0 "[ . 1 . 2]" 1
532 4 42 MET QB 4 47 TYR QE 3.600 . 3.600 3.665 3.594 3.755 0.155 3 0 "[ . 1 . 2]" 1
533 4 42 MET ME 4 47 TYR QD 3.600 . 3.600 2.959 2.766 3.130 . 0 0 "[ . 1 . 2]" 1
534 4 42 MET ME 4 47 TYR QE 3.600 . 3.600 3.225 3.056 3.366 . 0 0 "[ . 1 . 2]" 1
535 4 42 MET QG 4 46 ASN H 5.500 . 5.500 5.632 5.601 5.703 0.203 3 0 "[ . 1 . 2]" 1
536 4 42 MET QG 4 47 TYR QD 3.600 . 3.600 3.664 3.622 3.717 0.117 10 0 "[ . 1 . 2]" 1
537 4 43 ALA H 4 43 ALA MB 3.600 . 3.600 2.273 2.264 2.284 . 0 0 "[ . 1 . 2]" 1
538 4 43 ALA H 4 44 GLU H 3.600 . 3.600 2.497 2.461 2.519 . 0 0 "[ . 1 . 2]" 1
539 4 43 ALA H 4 44 GLU QB 4.500 . 4.500 4.649 4.594 4.722 0.222 19 0 "[ . 1 . 2]" 1
540 4 43 ALA H 4 44 GLU QG 3.600 . 3.600 3.759 3.702 3.809 0.209 20 0 "[ . 1 . 2]" 1
541 4 43 ALA MB 4 44 GLU H 3.600 . 3.600 2.495 2.449 2.529 . 0 0 "[ . 1 . 2]" 1
542 4 43 ALA MB 4 44 GLU QG 3.600 . 3.600 2.901 2.804 2.977 . 0 0 "[ . 1 . 2]" 1
543 4 44 GLU H 4 44 GLU QB 3.600 . 3.600 2.574 2.508 2.671 . 0 0 "[ . 1 . 2]" 1
544 4 44 GLU H 4 45 LEU H 3.600 . 3.600 2.590 2.555 2.627 . 0 0 "[ . 1 . 2]" 1
545 4 44 GLU HA 4 44 GLU QG 3.600 . 3.600 2.831 2.604 2.980 . 0 0 "[ . 1 . 2]" 1
546 4 44 GLU HA 4 45 LEU H 3.600 . 3.600 3.526 3.517 3.537 . 0 0 "[ . 1 . 2]" 1
547 4 44 GLU HA 4 46 ASN H 3.600 . 3.600 3.671 3.625 3.706 0.106 12 0 "[ . 1 . 2]" 1
548 4 44 GLU QB 4 45 LEU H 3.600 . 3.600 2.374 2.332 2.451 . 0 0 "[ . 1 . 2]" 1
549 4 44 GLU QG 4 45 LEU H 5.500 . 5.500 3.645 3.535 3.701 . 0 0 "[ . 1 . 2]" 1
550 4 44 GLU QG 4 45 LEU QD 3.600 . 3.600 3.809 3.788 3.836 0.236 8 0 "[ . 1 . 2]" 1
551 4 45 LEU H 4 45 LEU QB 3.600 . 3.600 2.642 2.599 2.684 . 0 0 "[ . 1 . 2]" 1
552 4 45 LEU H 4 45 LEU QD 3.600 . 3.600 2.528 2.498 2.549 . 0 0 "[ . 1 . 2]" 1
553 4 45 LEU H 4 45 LEU HG 3.600 . 3.600 2.193 2.112 2.305 . 0 0 "[ . 1 . 2]" 1
554 4 45 LEU H 4 46 ASN H 3.600 . 3.600 2.542 2.492 2.583 . 0 0 "[ . 1 . 2]" 1
555 4 45 LEU HA 4 45 LEU QD 3.600 . 3.600 2.220 2.137 2.283 . 0 0 "[ . 1 . 2]" 1
556 4 45 LEU HA 4 45 LEU HG 3.600 . 3.600 3.511 3.483 3.533 . 0 0 "[ . 1 . 2]" 1
557 4 45 LEU HA 4 46 ASN H 3.600 . 3.600 3.248 3.224 3.293 . 0 0 "[ . 1 . 2]" 1
558 4 45 LEU QB 4 46 ASN H 3.600 . 3.600 3.394 3.352 3.443 . 0 0 "[ . 1 . 2]" 1
559 4 45 LEU QD 4 46 ASN H 4.000 . 4.000 4.103 4.085 4.114 0.114 3 0 "[ . 1 . 2]" 1
560 4 46 ASN H 4 46 ASN HB3 3.600 . 3.600 3.630 3.305 3.758 0.158 9 0 "[ . 1 . 2]" 1
561 4 46 ASN H 4 47 TYR H 3.600 . 3.600 3.326 2.660 3.542 . 0 0 "[ . 1 . 2]" 1
562 4 46 ASN HA 4 47 TYR H 3.600 . 3.600 3.390 2.356 3.559 . 0 0 "[ . 1 . 2]" 1
563 4 46 ASN QD 4 48 ILE MG 3.600 . 3.600 3.477 2.226 3.790 0.190 6 0 "[ . 1 . 2]" 1
564 4 47 TYR H 4 47 TYR HB2 3.600 . 3.600 2.939 2.412 3.194 . 0 0 "[ . 1 . 2]" 1
565 4 47 TYR H 4 47 TYR HB3 3.600 . 3.600 3.354 2.348 3.599 . 0 0 "[ . 1 . 2]" 1
566 4 47 TYR H 4 47 TYR QD 4.600 . 4.600 4.123 4.016 4.186 . 0 0 "[ . 1 . 2]" 1
567 4 47 TYR H 4 48 ILE H 3.600 . 3.600 3.589 3.071 4.445 0.845 12 2 "[ . -1 + . 2]" 1
568 4 47 TYR HA 4 47 TYR QD 3.600 . 3.600 2.016 1.875 2.226 . 0 0 "[ . 1 . 2]" 1
569 4 47 TYR HA 4 47 TYR QE 4.300 . 4.300 4.348 4.237 4.481 0.181 9 0 "[ . 1 . 2]" 1
570 4 47 TYR HB2 4 47 TYR QE 4.600 . 4.600 4.495 4.472 4.520 . 0 0 "[ . 1 . 2]" 1
571 4 47 TYR HB2 4 48 ILE H 4.500 . 4.500 4.439 3.669 4.595 0.095 18 0 "[ . 1 . 2]" 1
572 4 47 TYR HB3 4 47 TYR QE 4.600 2.800 4.600 4.411 4.359 4.462 . 0 0 "[ . 1 . 2]" 1
573 4 47 TYR HB3 4 48 ILE H 4.500 . 4.500 4.324 2.189 4.511 0.011 11 0 "[ . 1 . 2]" 1
574 4 47 TYR QD 4 48 ILE H 3.600 . 3.600 2.994 2.595 3.627 0.027 10 0 "[ . 1 . 2]" 1
575 4 47 TYR QE 4 49 PRO HA 5.500 . 5.500 4.565 3.319 5.353 . 0 0 "[ . 1 . 2]" 1
576 4 48 ILE H 4 48 ILE MD 3.600 . 3.600 3.262 1.789 3.877 0.277 5 0 "[ . 1 . 2]" 1
577 4 48 ILE H 4 48 ILE QG 4.600 . 4.600 3.556 1.973 4.250 . 0 0 "[ . 1 . 2]" 1
578 4 48 ILE H 4 48 ILE MG 3.600 . 3.600 2.372 1.790 4.013 0.413 6 0 "[ . 1 . 2]" 1
579 4 48 ILE HA 4 48 ILE MD 3.600 . 3.600 2.660 1.785 3.709 0.109 4 0 "[ . 1 . 2]" 1
580 4 48 ILE HA 4 48 ILE QG 3.600 . 3.600 2.914 2.350 3.436 . 0 0 "[ . 1 . 2]" 1
581 4 48 ILE HA 4 48 ILE MG 3.600 . 3.600 2.858 2.342 3.233 . 0 0 "[ . 1 . 2]" 1
582 4 48 ILE HA 4 49 PRO QD 3.600 . 3.600 1.944 1.743 2.241 0.057 16 0 "[ . 1 . 2]" 1
583 4 48 ILE HB 4 48 ILE MD 3.600 . 3.600 2.645 2.220 3.236 . 0 0 "[ . 1 . 2]" 1
584 4 48 ILE QG 4 49 PRO QD 3.600 . 3.600 2.899 1.791 3.835 0.235 15 0 "[ . 1 . 2]" 1
585 4 49 PRO HA 4 50 ASN H 3.600 . 3.600 2.653 2.121 3.591 . 0 0 "[ . 1 . 2]" 1
586 4 49 PRO HA 4 50 ASN QB 4.600 . 4.600 4.362 4.010 4.708 0.108 18 0 "[ . 1 . 2]" 1
587 4 50 ASN H 4 50 ASN QB 3.600 . 3.600 2.645 2.138 3.001 . 0 0 "[ . 1 . 2]" 1
588 4 50 ASN H 4 51 ARG H 3.600 . 3.600 3.478 2.739 3.880 0.280 9 0 "[ . 1 . 2]" 1
589 4 50 ASN HA 4 51 ARG H 3.600 . 3.600 2.642 2.095 3.583 . 0 0 "[ . 1 . 2]" 1
590 4 51 ARG H 4 51 ARG QD 5.500 . 5.500 4.669 3.342 5.428 . 0 0 "[ . 1 . 2]" 1
591 4 51 ARG H 4 52 CYS H 3.600 . 3.600 2.681 1.825 3.724 0.124 11 0 "[ . 1 . 2]" 1
592 4 51 ARG H 4 52 CYS QB 5.000 . 5.000 4.535 3.601 5.110 0.110 17 0 "[ . 1 . 2]" 1
593 4 51 ARG HA 4 52 CYS H 3.600 . 3.600 2.994 2.156 3.554 . 0 0 "[ . 1 . 2]" 1
594 4 51 ARG QB 4 52 CYS H 5.500 . 5.500 3.267 1.741 4.032 0.059 17 0 "[ . 1 . 2]" 1
595 4 51 ARG QG 4 52 CYS H 5.500 . 5.500 4.082 2.090 4.808 . 0 0 "[ . 1 . 2]" 1
596 4 52 CYS H 4 53 ALA H 3.600 . 3.600 3.265 1.766 3.918 0.318 15 0 "[ . 1 . 2]" 1
597 4 52 CYS HA 4 53 ALA H 3.600 . 3.600 2.937 1.987 3.565 . 0 0 "[ . 1 . 2]" 1
598 4 52 CYS HA 4 53 ALA MB 3.600 . 3.600 3.827 3.716 3.938 0.338 2 0 "[ . 1 . 2]" 1
599 4 52 CYS HB3 4 53 ALA H 3.600 . 3.600 3.238 1.761 3.769 0.169 17 0 "[ . 1 . 2]" 1
600 4 53 ALA HA 4 54 GLN QB 4.600 . 4.600 4.401 3.893 4.752 0.152 3 0 "[ . 1 . 2]" 1
601 4 53 ALA MB 4 55 GLN H 5.500 . 5.500 4.472 2.228 5.542 0.042 12 0 "[ . 1 . 2]" 1
602 4 54 GLN H 4 54 GLN QB 3.600 . 3.600 2.719 2.065 3.366 . 0 0 "[ . 1 . 2]" 1
603 4 54 GLN H 4 56 LEU H 3.600 . 3.600 3.424 2.975 3.671 0.071 12 0 "[ . 1 . 2]" 1
604 4 54 GLN QB 4 55 GLN HA 5.500 . 5.500 4.204 3.720 4.763 . 0 0 "[ . 1 . 2]" 1
605 4 54 GLN QB 4 55 GLN QG 3.600 . 3.600 3.105 2.231 3.766 0.166 5 0 "[ . 1 . 2]" 1
606 4 55 GLN H 4 55 GLN QB 3.600 . 3.600 2.889 2.480 3.363 . 0 0 "[ . 1 . 2]" 1
607 4 55 GLN QG 4 56 LEU HA 5.500 . 5.500 4.626 3.428 5.688 0.188 3 0 "[ . 1 . 2]" 1
608 4 56 LEU H 4 56 LEU MD1 5.000 . 5.000 3.713 2.450 4.406 . 0 0 "[ . 1 . 2]" 1
609 4 56 LEU H 4 56 LEU MD2 5.000 . 5.000 3.876 2.066 4.906 . 0 0 "[ . 1 . 2]" 1
610 4 56 LEU HA 4 57 ALA H 3.600 . 3.600 2.830 2.123 3.528 . 0 0 "[ . 1 . 2]" 1
611 4 57 ALA HA 4 58 GLY H 3.600 . 3.600 2.840 2.139 3.562 . 0 0 "[ . 1 . 2]" 1
612 4 57 ALA MB 4 58 GLY H 5.000 . 5.000 2.964 1.907 3.712 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Tuesday, April 30, 2024 7:03:55 PM GMT (wattos1)