NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
454900 |
3nla   |
4199 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_3nla
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 685
_Distance_constraint_stats_list.Viol_count 1820
_Distance_constraint_stats_list.Viol_total 28090.986
_Distance_constraint_stats_list.Viol_max 1.979
_Distance_constraint_stats_list.Viol_rms 0.1424
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0256
_Distance_constraint_stats_list.Viol_average_violations_only 0.3859
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ASN 10.510 0.567 26 7 "[* **. - 1 . * 2 .+ 3 *. 4]"
1 3 LYS 65.124 1.588 8 35 "[******-+** ***** ********** ** ***.*****]"
1 4 ALA 9.008 0.767 20 8 "[* . * 1 *. + *. * .- *4]"
1 5 SER 26.234 1.158 27 27 "[* **** **** ** * **** * +**** * ** *-]"
1 6 VAL 0.063 0.035 15 0 "[ . 1 . 2 . 3 . 4]"
1 7 VAL 1.957 0.576 14 1 "[ . 1 +. 2 . 3 . 4]"
1 8 ALA 19.789 0.842 20 14 "[* .* **** . +* .** *3* .* - 4]"
1 9 ASN 0.005 0.005 27 0 "[ . 1 . 2 . 3 . 4]"
1 10 GLN 41.085 1.154 19 39 "[-*********** *****+*********************]"
1 11 LEU 43.457 1.154 19 39 "[**-********* *****+*********************]"
1 12 ILE 4.973 0.582 4 4 "[ -+. 1* . 2 . * 3 . 4]"
1 13 PRO 8.455 0.808 28 8 "[ * * 1 . *2 . + 3 *- ** 4]"
1 14 ILE 20.676 0.910 16 14 "[ * * *1 .+ *2 ** . * 3 **-** *]"
1 15 ASN 14.616 0.890 22 2 "[ . - . 2 + . 3 . 4]"
1 16 THR 54.246 1.960 32 27 "[* *****- * ********** .* * 3 +* *** **]"
1 17 ALA 0.038 0.016 26 0 "[ . 1 . 2 . 3 . 4]"
1 18 LEU 12.505 0.979 5 3 "[ + 1 - . 2 . 3 *. 4]"
1 19 THR 23.773 1.498 28 9 "[ .** * - *. * . + 3 * * 4]"
1 20 LEU 60.181 1.979 28 32 "[ ****** *** ********** .*-+***** *****4]"
1 21 ILE 22.672 1.269 37 19 "[- ***** 1 * *** * *.* * 3* . +***]"
1 22 MET 8.641 0.531 18 9 "[ ** 1* ** + * . - 3 * . 4]"
1 23 MET 3.038 0.265 27 0 "[ . 1 . 2 . 3 . 4]"
1 24 LYS 5.844 0.576 14 2 "[ . 1 +- 2 . 3 . 4]"
1 25 ALA 3.885 0.510 15 1 "[ . 1 + 2 . 3 . 4]"
1 26 GLU 24.824 1.728 5 21 "[ **+* * *** * *2* *-. **** * *. ** 4]"
1 27 VAL 26.752 1.728 5 22 "[ **+* * *** * *2* *-. **** * *. ** *]"
1 28 VAL 46.148 1.639 40 30 "[*** .****** * .****2 ******* * ***** **+]"
1 29 THR 41.601 1.639 40 30 "[*** .****** * .****2 ***-*** * ***** **+]"
1 30 PRO 6.087 0.563 36 4 "[ . -* . 2 * . 3 .+ 4]"
1 31 MET 23.516 0.895 24 20 "[* * . ***-* . * 2***+* ***3 ***.* 4]"
1 32 GLY 15.156 0.895 24 17 "[* * . **** . * 2- *+* ***3 ***. 4]"
1 33 ILE 1.194 0.216 40 0 "[ . 1 . 2 . 3 . 4]"
1 34 PRO 3.805 0.647 28 3 "[ . 1 . - . + 3 . * 4]"
1 35 ALA 29.876 1.158 27 28 "[* **** **** ** * **** * +**** * ** **-]"
1 36 GLU 0.015 0.009 4 0 "[ . 1 . 2 . 3 . 4]"
1 37 GLU 6.152 0.631 31 2 "[ . 1 . 2 . 3+ . - 4]"
1 38 ILE 0.659 0.110 28 0 "[ . 1 . 2 . 3 . 4]"
1 39 PRO 1.390 0.227 28 0 "[ . 1 . 2 . 3 . 4]"
1 40 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 41 LEU 31.007 0.976 1 36 "[+************** *-***** ******* *******]"
1 42 VAL 2.945 0.358 5 0 "[ . 1 . 2 . 3 . 4]"
1 43 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 44 MET 12.140 0.561 31 6 "[ * . - 1* . 2 . 3+ * . * 4]"
1 45 GLN 0.447 0.334 16 0 "[ . 1 . 2 . 3 . 4]"
1 46 VAL 16.359 1.957 12 5 "[ . * 1 + . * 2 - . 3 . * 4]"
1 47 ASN 19.175 1.189 7 12 "[ . + ** * . * * ** 3* **. -]"
1 48 ARG 11.491 1.957 12 2 "[ . - 1 + . 2 . 3 . 4]"
1 49 ALA 0.334 0.131 6 0 "[ . 1 . 2 . 3 . 4]"
1 50 VAL 6.171 0.900 5 4 "[ + - 1* . 2 . 3 . * 4]"
1 51 PRO 1.682 0.160 28 0 "[ . 1 . 2 . 3 . 4]"
1 52 LEU 7.591 0.503 31 1 "[ . 1 . 2 . 3+ . 4]"
1 53 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 54 THR 21.630 1.631 8 11 "[ .* +**** . 2* * . * 3 *. * 4]"
1 55 THR 25.207 0.842 20 15 "[ .****** . +* .** *3** .* - 4]"
1 56 LEU 0.300 0.118 27 0 "[ . 1 . 2 . 3 . 4]"
1 57 MET 11.827 1.010 24 7 "[ . 1* **. * * +. 3 * . 4]"
1 58 PRO 0.299 0.272 17 0 "[ . 1 . 2 . 3 . 4]"
1 59 ASP 1.141 0.235 6 0 "[ . 1 . 2 . 3 . 4]"
1 60 MET 26.193 1.081 17 20 "[ * ** * ** **. + **** -. ** 3** * *4]"
1 61 VAL 28.540 1.081 17 24 "[ * ** **** **. + **** **** 3* *** *-]"
1 62 LYS 0.008 0.006 34 0 "[ . 1 . 2 . 3 . 4]"
1 63 ASN 0.006 0.006 34 0 "[ . 1 . 2 . 3 . 4]"
1 64 TYR 3.006 0.872 24 3 "[ . 1 . 2 +. 3 *- . 4]"
1 65 GLU 19.611 0.906 5 13 "[ * + *1* *.* ** - * * 3* .* 4]"
1 66 ASP 11.170 0.890 9 12 "[ . * +1 * . * * .-* ** * .* *]"
1 67 GLY 20.609 1.140 9 17 "[ . * +1 * .***** *** **-* .* *]"
1 68 THR 40.583 1.785 29 26 "[***** **1 * ********** * * +3- .** **]"
1 69 THR 63.652 1.785 29 35 "[**-*** ************2***** **+** ***** **]"
1 70 SER 12.287 1.079 19 13 "[ .* 1 * * *+2 . *- ** *** *]"
1 71 PRO 5.197 0.808 9 6 "[ . - +1* . * 2* . 3 . * 4]"
1 72 GLY 6.481 0.808 9 6 "[ . - +1* . * 2* . 3 . * 4]"
1 73 LEU 2.796 0.241 10 0 "[ . 1 . 2 . 3 . 4]"
1 74 LYS 6.339 0.872 10 4 "[ * . + . *2- . 3 . 4]"
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 2 ASN HA 1 2 ASN QB 2.500 . 2.700 2.428 2.199 2.550 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
2 1 6 VAL HA 1 6 VAL MG1 2.500 . 3.700 2.392 2.226 2.525 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
3 1 7 VAL HA 1 7 VAL MG2 2.500 . 3.700 2.440 2.346 2.523 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
4 1 7 VAL HA 1 7 VAL MG1 3.000 . 4.500 2.246 2.130 2.384 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
5 1 11 LEU HA 1 11 LEU MD2 2.500 . 4.700 3.554 3.124 3.923 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
6 1 11 LEU HA 1 11 LEU QB 2.500 . 3.200 2.276 2.178 2.404 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
7 1 12 ILE HA 1 12 ILE QG 3.000 . 4.000 3.006 2.298 3.450 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
8 1 12 ILE HA 1 12 ILE MG 3.000 . 4.500 2.228 1.950 2.503 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
9 1 12 ILE HA 1 12 ILE HB 3.000 . 3.500 2.796 2.523 3.036 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
10 1 13 PRO HB2 1 13 PRO QD 3.000 . 4.000 3.549 3.538 3.551 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
11 1 13 PRO HB3 1 13 PRO QD 3.000 . 4.000 2.984 2.944 3.112 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
12 1 14 ILE HA 1 14 ILE MD 3.000 . 4.500 3.815 2.104 4.115 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
13 1 14 ILE HA 1 14 ILE MG 2.500 . 3.700 2.215 1.897 2.490 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
14 1 14 ILE HA 1 14 ILE HB 3.000 . 3.500 2.768 2.409 3.026 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
15 1 15 ASN HA 1 15 ASN HB2 3.000 . 3.500 2.814 2.335 3.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
16 1 16 THR HA 1 16 THR MG 2.500 . 3.700 2.372 1.996 3.186 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
17 1 18 LEU HA 1 18 LEU HG 3.000 . 3.500 2.885 2.326 3.545 0.045 30 0 "[ . 1 . 2 . 3 . 4]" 1
18 1 18 LEU HA 1 18 LEU MD2 2.500 . 3.700 2.628 1.856 3.929 0.229 12 0 "[ . 1 . 2 . 3 . 4]" 1
19 1 18 LEU QB 1 18 LEU MD2 2.500 . 4.200 2.097 1.875 2.326 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
20 1 18 LEU HA 1 18 LEU MD1 3.000 . 5.000 3.825 3.663 4.035 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
21 1 18 LEU QB 1 18 LEU MD1 2.500 . 4.200 2.011 1.868 2.110 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
22 1 19 THR HA 1 19 THR HB 2.500 . 2.700 2.709 2.471 3.021 0.321 32 0 "[ . 1 . 2 . 3 . 4]" 1
23 1 19 THR HA 1 19 THR MG 2.500 . 3.700 2.138 1.928 2.421 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
24 1 20 LEU HA 1 20 LEU MD1 3.000 . 4.500 3.359 1.872 3.990 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
25 1 20 LEU HA 1 20 LEU MD2 2.500 . 3.700 3.197 1.870 3.931 0.231 20 0 "[ . 1 . 2 . 3 . 4]" 1
26 1 20 LEU HA 1 20 LEU HB2 3.000 . 3.500 2.628 2.299 3.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
27 1 20 LEU HA 1 20 LEU HB3 3.000 . 3.500 2.746 2.369 3.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
28 1 20 LEU HB2 1 20 LEU MD2 2.500 . 4.200 2.902 2.162 3.192 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
29 1 20 LEU HB3 1 20 LEU MD2 2.500 . 3.700 2.227 1.903 3.193 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
30 1 20 LEU HB3 1 20 LEU MD1 2.500 . 3.700 2.687 2.171 3.189 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
31 1 20 LEU HB2 1 20 LEU MD1 3.000 . 4.500 2.282 1.913 3.192 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
32 1 21 ILE HA 1 21 ILE HB 2.500 . 3.700 2.798 2.445 3.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
33 1 24 LYS HA 1 24 LYS HG2 3.000 . 4.500 2.521 1.977 3.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
34 1 24 LYS HA 1 24 LYS HG3 2.500 . 3.700 3.395 2.511 3.706 0.006 26 0 "[ . 1 . 2 . 3 . 4]" 1
35 1 26 GLU HA 1 26 GLU HB2 3.000 . 3.500 2.796 2.408 3.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
36 1 27 VAL HA 1 27 VAL MG1 2.500 . 3.700 2.393 2.139 3.190 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
37 1 27 VAL HA 1 27 VAL MG2 2.500 . 3.700 2.375 2.169 2.504 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
38 1 27 VAL HA 1 27 VAL HB 3.000 . 3.500 2.993 2.467 3.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
39 1 28 VAL HA 1 28 VAL HB 2.500 . 2.700 2.747 2.434 3.038 0.338 7 0 "[ . 1 . 2 . 3 . 4]" 1
40 1 28 VAL HA 1 28 VAL MG2 2.500 . 4.700 2.523 2.150 3.197 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
41 1 28 VAL HA 1 28 VAL MG1 2.500 . 3.700 2.590 2.147 3.197 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
42 1 29 THR HA 1 29 THR HB 2.500 . 2.700 2.571 2.401 3.033 0.333 31 0 "[ . 1 . 2 . 3 . 4]" 1
43 1 29 THR HA 1 29 THR MG 2.500 . 4.700 2.697 1.957 3.197 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
44 1 30 PRO HA 1 30 PRO HB3 3.000 . 3.500 2.314 2.311 2.315 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
45 1 30 PRO HB3 1 30 PRO HD3 4.000 . 5.000 3.148 3.094 3.295 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
46 1 30 PRO HB3 1 30 PRO HD2 4.000 . 5.000 3.915 3.903 3.939 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
47 1 30 PRO HD2 1 30 PRO HG3 3.000 . 3.500 2.754 2.737 2.803 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
48 1 30 PRO HD3 1 30 PRO HG3 3.000 . 3.500 2.275 2.259 2.282 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
49 1 30 PRO HD3 1 30 PRO HG2 3.000 . 3.500 2.954 2.921 2.965 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
50 1 31 MET HA 1 31 MET HB3 2.500 . 2.700 2.558 2.420 2.839 0.139 9 0 "[ . 1 . 2 . 3 . 4]" 1
51 1 31 MET HA 1 31 MET HB2 3.000 . 3.500 2.793 2.416 3.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
52 1 33 ILE HA 1 33 ILE HG13 4.000 . 5.000 3.516 3.303 3.820 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
53 1 33 ILE HB 1 33 ILE MD 3.000 . 4.500 2.623 2.389 3.189 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
54 1 33 ILE HB 1 33 ILE HG13 2.500 . 2.700 2.387 2.317 2.493 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
55 1 34 PRO HA 1 34 PRO HB3 3.000 . 3.500 2.313 2.307 2.316 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
56 1 36 GLU HA 1 36 GLU QB 2.500 . 3.200 2.439 2.202 2.551 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
57 1 38 ILE HA 1 38 ILE QG 3.000 . 4.000 2.532 2.235 2.749 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
58 1 38 ILE HA 1 38 ILE MG 2.500 . 4.700 2.725 2.497 3.191 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
59 1 38 ILE HA 1 38 ILE MD 2.500 . 3.700 1.977 1.809 2.698 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
60 1 38 ILE HA 1 38 ILE HB 3.000 . 3.500 2.939 2.570 3.016 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
61 1 38 ILE HB 1 38 ILE MD 2.500 . 4.700 2.895 2.067 3.195 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
62 1 39 PRO HB3 1 39 PRO HD3 4.000 . 5.000 3.089 3.003 3.279 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
63 1 39 PRO HA 1 39 PRO HB3 2.500 . 2.700 2.311 2.302 2.316 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
64 1 39 PRO HD2 1 39 PRO QG 2.500 . 3.200 2.173 2.162 2.181 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
65 1 39 PRO HB2 1 39 PRO HD3 4.000 . 5.000 3.967 3.931 4.035 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
66 1 39 PRO HB2 1 39 PRO HD2 3.000 . 4.500 3.994 3.896 4.032 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
67 1 39 PRO HB3 1 39 PRO HD2 4.000 . 5.000 3.900 3.882 3.933 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
68 1 41 LEU HA 1 41 LEU MD2 2.500 . 4.700 3.551 2.262 3.911 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
69 1 41 LEU QB 1 41 LEU MD1 2.500 . 4.200 2.090 1.870 2.316 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
70 1 41 LEU QB 1 41 LEU MD2 2.500 . 4.200 2.029 1.869 2.277 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
71 1 41 LEU QB 1 41 LEU HG 2.500 . 3.200 2.477 2.200 2.546 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
72 1 41 LEU HA 1 41 LEU MD1 4.000 . 6.000 2.636 1.890 3.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
73 1 42 VAL HA 1 42 VAL MG2 2.500 . 3.700 2.268 2.114 2.384 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
74 1 46 VAL HA 1 46 VAL HB 2.500 . 2.700 2.432 2.376 2.522 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
75 1 50 VAL HA 1 50 VAL MG1 3.000 . 4.500 2.376 2.000 2.545 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
76 1 50 VAL HA 1 50 VAL MG2 3.000 . 4.500 2.365 2.063 3.174 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
77 1 51 PRO HA 1 51 PRO QG 3.000 . 4.000 3.513 3.507 3.521 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
78 1 52 LEU HA 1 52 LEU MD2 3.000 . 4.500 3.172 2.705 3.528 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
79 1 52 LEU HA 1 52 LEU HG 3.000 . 3.500 1.993 1.923 2.127 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
80 1 52 LEU QB 1 52 LEU HG 2.500 . 3.200 2.533 2.482 2.547 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
81 1 54 THR HA 1 54 THR HB 2.500 . 3.700 2.905 2.409 3.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
82 1 54 THR HA 1 54 THR MG 2.500 . 3.700 2.498 2.106 3.198 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
83 1 55 THR HA 1 55 THR MG 2.500 . 4.700 2.478 1.949 3.198 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
84 1 55 THR HA 1 55 THR HB 2.500 . 3.700 2.843 2.415 3.039 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
85 1 56 LEU HA 1 56 LEU HB2 3.000 . 3.500 2.729 2.316 2.930 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
86 1 56 LEU HA 1 56 LEU HG 4.000 . 5.000 3.218 2.366 3.628 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
87 1 56 LEU HA 1 56 LEU HB3 3.000 . 3.500 2.912 2.302 3.019 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
88 1 56 LEU HA 1 56 LEU MD1 2.500 . 4.700 2.727 1.867 3.912 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
89 1 56 LEU HA 1 56 LEU MD2 4.000 . 6.000 2.200 1.802 4.131 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
90 1 56 LEU HB3 1 56 LEU MD2 3.000 . 4.500 2.867 2.090 3.195 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
91 1 59 ASP HA 1 59 ASP HB2 3.000 . 3.500 2.732 2.381 3.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
92 1 60 MET HA 1 60 MET QG . . 3.500 2.572 2.417 3.312 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
93 1 61 VAL HA 1 61 VAL HB 2.500 . 3.700 3.031 3.018 3.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
94 1 61 VAL HA 1 61 VAL MG1 2.500 . 3.700 2.352 2.100 2.515 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
95 1 61 VAL HA 1 61 VAL MG2 3.000 . 4.500 2.351 2.135 2.531 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
96 1 61 VAL MG1 1 61 VAL MG2 2.500 . 4.700 2.010 1.856 2.080 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
97 1 62 LYS HA 1 62 LYS HG3 4.000 . 5.000 3.164 2.173 3.701 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
98 1 62 LYS HA 1 62 LYS QB 2.500 . 3.200 2.452 2.201 2.550 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
99 1 64 TYR HA 1 64 TYR QD 4.000 . 5.000 2.855 1.963 3.710 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
100 1 65 GLU HA 1 65 GLU HG3 3.000 . 3.500 3.543 2.238 4.247 0.747 36 6 "[ * 1* . 2 - . * 3* .+ 4]" 1
101 1 65 GLU HA 1 65 GLU HB3 3.000 . 3.500 2.599 2.351 3.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
102 1 68 THR HA 1 68 THR HB 2.500 . 3.200 2.955 2.489 3.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
103 1 68 THR HA 1 68 THR MG 2.500 . 3.700 2.231 1.933 2.493 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
104 1 71 PRO HB3 1 71 PRO HD2 4.000 . 5.000 3.900 3.882 3.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
105 1 71 PRO HB3 1 71 PRO HD3 4.000 . 5.000 3.079 3.013 3.224 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
106 1 73 LEU HA 1 73 LEU MD1 4.000 . 6.000 2.947 1.839 3.956 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
107 1 73 LEU HA 1 73 LEU MD2 4.000 . 6.000 2.762 1.835 3.853 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
108 1 73 LEU HA 1 73 LEU HG 4.000 . 5.000 2.838 1.959 3.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
109 1 74 LYS QB 1 74 LYS HD3 2.500 . 3.200 2.545 1.913 3.323 0.123 28 0 "[ . 1 . 2 . 3 . 4]" 1
110 1 4 ALA HA 1 5 SER QB 4.000 . 5.500 4.219 3.835 4.737 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
111 1 5 SER HA 1 6 VAL MG2 4.000 . 6.000 3.552 3.195 3.852 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
112 1 10 GLN QG 1 11 LEU MD2 4.000 . 6.000 3.680 1.830 4.845 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
113 1 23 MET HA 1 24 LYS QB 4.000 . 6.500 4.266 3.977 4.508 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
114 1 23 MET HA 1 24 LYS HG3 4.000 . 5.500 4.638 3.836 5.011 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
115 1 24 LYS HA 1 25 ALA MB 4.000 . 6.000 3.914 3.821 4.085 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
116 1 29 THR HA 1 30 PRO HA 2.500 . 2.700 2.208 2.003 2.443 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
117 1 29 THR MG 1 30 PRO HA 3.000 . 4.500 3.084 1.772 3.754 0.028 39 0 "[ . 1 . 2 . 3 . 4]" 1
118 1 30 PRO HA 1 31 MET QG 4.000 . 5.500 4.099 3.326 4.897 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
119 1 32 GLY HA2 1 33 ILE HG12 3.000 . 4.500 4.014 3.820 4.076 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
120 1 38 ILE HB 1 39 PRO HD3 3.000 . 3.500 2.088 1.818 3.516 0.016 28 0 "[ . 1 . 2 . 3 . 4]" 1
121 1 38 ILE MG 1 39 PRO HA 3.000 . 4.500 3.049 2.881 3.278 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
122 1 60 MET QB 1 61 VAL MG2 4.000 . 6.000 3.292 2.717 4.083 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
123 1 70 SER HB3 1 71 PRO HD3 3.000 . 4.000 2.433 1.878 4.198 0.198 20 0 "[ . 1 . 2 . 3 . 4]" 1
124 1 19 THR HB 1 21 ILE MD 3.000 . 5.400 3.505 2.012 4.469 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
125 1 39 PRO HA 1 42 VAL HB 4.000 . 5.000 3.427 3.030 4.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
126 1 39 PRO HA 1 42 VAL MG1 3.000 . 4.500 4.353 4.035 4.727 0.227 28 0 "[ . 1 . 2 . 3 . 4]" 1
127 1 50 VAL MG1 1 54 THR HB 2.500 . 4.200 2.168 1.711 3.462 0.089 13 0 "[ . 1 . 2 . 3 . 4]" 1
128 1 61 VAL HB 1 64 TYR QD 4.000 . 5.000 3.254 2.165 3.964 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
129 1 61 VAL MG1 1 64 TYR QE 4.000 . 5.000 3.594 2.687 4.082 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
130 1 61 VAL MG1 1 64 TYR HB2 4.000 . 6.000 3.459 1.989 4.641 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
131 1 58 PRO HA 1 61 VAL HB 4.000 . 5.800 2.982 1.919 3.939 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
132 1 2 ASN HA 1 27 VAL MG1 4.000 . 6.000 4.035 2.494 4.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
133 1 2 ASN QB 1 27 VAL MG1 4.000 . 7.000 3.578 1.833 5.187 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
134 1 12 ILE MG 1 16 THR HB 3.000 . 4.500 3.275 1.785 3.770 0.015 8 0 "[ . 1 . 2 . 3 . 4]" 1
135 1 12 ILE MG 1 16 THR MG 3.000 . 5.500 2.751 1.757 3.799 0.043 32 0 "[ . 1 . 2 . 3 . 4]" 1
136 1 16 THR MG 1 22 MET ME 3.000 . 5.500 3.210 2.170 3.814 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
137 1 37 GLU QB 1 65 GLU HB2 3.000 . 4.000 3.339 2.252 3.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
138 1 64 TYR HB3 1 72 GLY QA 4.000 . 5.000 3.719 1.895 4.862 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
139 1 41 LEU MD1 1 65 GLU HG3 2.500 . 4.300 3.162 2.007 3.587 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
140 1 4 ALA MB 1 26 GLU HA 4.000 . 6.000 3.698 2.776 4.469 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
141 1 4 ALA MB 1 27 VAL HA 3.000 . 4.500 3.470 2.988 3.746 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
142 1 5 SER QB 1 31 MET HA 2.500 . 3.200 2.671 1.869 2.863 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
143 1 6 VAL MG1 1 23 MET HA 4.000 . 6.000 3.273 2.159 4.892 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
144 1 6 VAL MG2 1 35 ALA HA 2.500 . 3.700 2.467 1.919 3.097 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
145 1 7 VAL HB 1 53 GLY HA3 4.000 . 5.500 4.994 4.911 5.029 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
146 1 7 VAL MG1 1 55 THR HA 3.000 . 4.500 2.427 1.860 3.137 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
147 1 7 VAL MG2 1 55 THR HA 2.500 . 3.700 2.417 1.926 2.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
148 1 7 VAL MG1 1 53 GLY HA2 4.000 . 6.000 2.175 1.819 2.625 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
149 1 8 ALA MB 1 54 THR HB 3.000 . 4.500 2.508 1.728 3.754 0.072 25 0 "[ . 1 . 2 . 3 . 4]" 1
150 1 9 ASN QB 1 22 MET HA 4.000 . 5.500 4.163 2.073 4.902 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
151 1 11 LEU QB 1 52 LEU HA 3.000 . 4.000 3.433 2.571 3.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
152 1 12 ILE MG 1 22 MET HB3 4.000 . 6.000 4.541 3.709 5.012 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
153 1 12 ILE QG 1 54 THR HB 4.000 . 5.500 4.680 2.400 4.933 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
154 1 13 PRO HA 1 49 ALA HA 4.000 . 5.000 3.015 1.918 3.884 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
155 1 14 ILE HA 1 49 ALA HA 4.000 . 5.300 4.128 3.153 4.760 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
156 1 14 ILE HA 1 48 ARG HA 4.000 . 6.000 5.482 4.529 6.037 0.037 34 0 "[ . 1 . 2 . 3 . 4]" 1
157 1 17 ALA HA 1 45 GLN HA 2.500 . 3.500 2.742 2.043 3.195 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
158 1 17 ALA MB 1 45 GLN QG 3.000 . 4.500 2.817 1.914 3.580 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
159 1 17 ALA MB 1 45 GLN HA 4.000 . 6.000 4.221 3.144 4.561 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
160 1 18 LEU HG 1 45 GLN HA 4.000 . 5.000 4.018 2.708 5.004 0.004 30 0 "[ . 1 . 2 . 3 . 4]" 1
161 1 4 ALA HA 1 27 VAL HA 2.500 . 2.700 2.057 1.871 2.323 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
162 1 4 ALA HA 1 27 VAL MG2 2.500 . 3.700 2.220 1.726 3.071 0.074 31 0 "[ . 1 . 2 . 3 . 4]" 1
163 1 33 ILE MD 1 61 VAL MG2 3.000 . 5.500 3.037 2.208 3.693 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
164 1 33 ILE MD 1 58 PRO HA 4.000 . 6.000 3.080 2.041 4.424 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
165 1 33 ILE MD 1 56 LEU HG 4.000 . 6.000 4.045 2.578 5.019 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
166 1 33 ILE HG13 1 56 LEU HG 4.000 . 5.000 4.101 2.101 4.985 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
167 1 33 ILE MD 1 56 LEU HB2 4.000 . 6.000 4.695 2.983 5.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
168 1 33 ILE MD 1 61 VAL HB 4.000 . 6.000 4.676 3.875 5.017 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
169 1 33 ILE MD 1 64 TYR QE 4.000 . 6.000 2.987 1.829 4.736 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
170 1 33 ILE MD 1 56 LEU MD1 4.000 . 7.000 2.369 1.682 3.729 0.118 27 0 "[ . 1 . 2 . 3 . 4]" 1
171 1 33 ILE MD 1 41 LEU MD1 4.000 . 7.000 3.372 2.398 4.662 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
172 1 5 SER HA 1 34 PRO HA 2.500 . 2.700 2.302 1.976 2.587 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
173 1 5 SER HA 1 34 PRO HB2 4.000 . 5.000 4.841 4.354 5.013 0.013 28 0 "[ . 1 . 2 . 3 . 4]" 1
174 1 25 ALA HA 1 35 ALA MB 4.000 . 6.000 4.181 3.391 4.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
175 1 20 LEU HA 1 38 ILE MD 4.000 . 6.000 4.100 3.161 5.021 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
176 1 19 THR HA 1 42 VAL MG2 2.500 . 3.700 3.274 2.288 4.058 0.358 5 0 "[ . 1 . 2 . 3 . 4]" 1
177 1 20 LEU HA 1 42 VAL MG1 4.000 . 6.000 4.792 3.340 5.776 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
178 1 19 THR HB 1 42 VAL MG2 4.000 . 6.000 4.967 3.701 5.868 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
179 1 44 MET ME 1 64 TYR QD 4.000 . 6.000 4.113 2.192 4.821 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
180 1 17 ALA HA 1 45 GLN QG 4.000 . 5.000 2.340 1.847 2.988 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
181 1 14 ILE HA 1 46 VAL QG 2.500 . 4.500 1.825 1.683 3.285 0.117 12 0 "[ . 1 . 2 . 3 . 4]" 1
182 1 13 PRO HA 1 49 ALA MB 3.000 . 4.500 3.204 1.962 3.758 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
183 1 10 GLN HA 1 52 LEU MD2 2.500 . 3.700 2.727 1.890 3.083 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
184 1 10 GLN HA 1 52 LEU HG 3.000 . 4.500 2.525 1.934 3.152 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
185 1 7 VAL HA 1 55 THR HA 2.500 . 2.700 2.248 1.878 2.704 0.004 2 0 "[ . 1 . 2 . 3 . 4]" 1
186 1 33 ILE HB 1 56 LEU MD1 2.500 . 3.700 2.531 1.730 3.120 0.070 18 0 "[ . 1 . 2 . 3 . 4]" 1
187 1 33 ILE HG13 1 56 LEU MD1 2.500 . 3.700 2.595 1.835 3.097 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
188 1 58 PRO QG 1 64 TYR QE 4.000 . 5.500 4.186 3.516 4.755 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
189 1 58 PRO HA 1 64 TYR QD 4.000 . 5.000 4.016 3.167 4.818 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
190 1 58 PRO HA 1 64 TYR QE 4.000 . 5.000 2.801 1.900 4.453 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
191 1 46 VAL HA 1 61 VAL HA 2.500 . 2.700 2.654 2.336 2.725 0.025 34 0 "[ . 1 . 2 . 3 . 4]" 1
192 1 46 VAL HA 1 61 VAL MG2 4.000 . 6.000 3.887 3.013 4.318 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
193 1 46 VAL HA 1 61 VAL MG1 4.000 . 6.000 4.308 3.570 4.624 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
194 1 47 ASN QB 1 62 LYS HG2 4.000 . 5.000 3.633 1.893 4.858 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
195 1 64 TYR QD 1 71 PRO HB2 4.000 . 5.000 3.429 2.401 5.010 0.010 9 0 "[ . 1 . 2 . 3 . 4]" 1
196 1 63 ASN QB 1 74 LYS QB 4.000 . 6.000 4.148 2.375 4.768 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
197 1 3 LYS H 1 3 LYS HA 2.500 . 3.700 2.937 2.864 2.988 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
198 1 3 LYS H 1 3 LYS QB 3.000 . 4.000 2.174 1.922 2.611 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
199 1 3 LYS H 1 3 LYS QD 2.500 . 3.200 3.943 2.371 4.788 1.588 8 27 "[***-***+** * ** ******* * * * *. ***4]" 1
200 1 3 LYS H 1 3 LYS HG3 3.000 . 3.500 3.679 2.054 4.484 0.984 19 14 "[* .* * * * . +2 *. * ** * .- **]" 1
201 1 4 ALA H 1 4 ALA HA 3.000 . 3.500 2.892 2.785 2.953 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
202 1 4 ALA H 1 4 ALA MB 2.500 . 3.700 2.026 1.905 2.159 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
203 1 5 SER H 1 5 SER QB 3.000 . 4.000 2.553 2.060 3.061 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
204 1 6 VAL H 1 6 VAL HB 3.000 . 3.500 2.390 2.182 3.535 0.035 15 0 "[ . 1 . 2 . 3 . 4]" 1
205 1 6 VAL H 1 6 VAL MG2 2.500 . 3.700 2.261 1.804 2.663 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
206 1 7 VAL H 1 7 VAL HB 3.000 . 3.500 2.656 2.483 2.744 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
207 1 7 VAL H 1 7 VAL MG2 2.500 . 3.700 2.414 2.033 2.641 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
208 1 7 VAL H 1 7 VAL MG1 4.000 . 6.000 3.852 3.753 3.899 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
209 1 8 ALA H 1 8 ALA MB 2.500 . 3.700 2.023 1.907 2.152 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
210 1 8 ALA H 1 8 ALA HA 2.500 . 3.700 2.826 2.755 2.931 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
211 1 10 GLN H 1 10 GLN HA 2.500 . 3.700 2.924 2.831 2.976 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
212 1 10 GLN H 1 10 GLN QG 4.000 . 5.000 3.749 2.054 4.066 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
213 1 10 GLN H 1 10 GLN QB 3.000 . 3.500 2.193 2.034 2.455 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
214 1 11 LEU H 1 11 LEU HA 2.500 . 3.700 2.876 2.835 2.980 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
215 1 11 LEU H 1 11 LEU QB 2.500 . 3.200 2.183 2.042 2.506 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
216 1 12 ILE H 1 12 ILE HB 3.000 . 4.500 3.205 2.430 3.734 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
217 1 12 ILE H 1 12 ILE QG 4.000 . 5.500 2.162 1.814 2.984 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
218 1 12 ILE H 1 12 ILE MG 3.000 . 5.500 3.455 2.886 3.909 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
219 1 14 ILE H 1 14 ILE HA 3.000 . 3.500 2.769 2.363 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
220 1 14 ILE H 1 14 ILE MG 3.000 . 4.500 3.193 1.797 4.006 0.003 6 0 "[ . 1 . 2 . 3 . 4]" 1
221 1 14 ILE H 1 14 ILE MD 2.500 . 3.700 3.613 1.778 4.610 0.910 16 6 "[ . *1 .+ 2 ** . 3 -. *]" 1
222 1 15 ASN H 1 15 ASN HA 2.500 . 2.700 2.372 2.357 2.385 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
223 1 15 ASN H 1 15 ASN HB2 4.000 . 5.000 3.401 2.862 3.939 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
224 1 15 ASN H 1 15 ASN HB3 4.000 . 5.000 3.674 2.797 4.078 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
225 1 15 ASN HB3 1 15 ASN HD22 4.000 . 5.000 3.857 3.510 4.122 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
226 1 15 ASN HB2 1 15 ASN HD22 4.000 . 5.000 3.771 3.514 4.112 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
227 1 15 ASN HB3 1 15 ASN HD21 3.000 . 3.500 3.046 2.244 3.620 0.120 30 0 "[ . 1 . 2 . 3 . 4]" 1
228 1 16 THR H 1 16 THR HG1 2.500 . 2.700 3.472 1.950 4.660 1.960 32 25 "[* ****** ******-* * .* * 3 +* *** **]" 1
229 1 16 THR H 1 16 THR HA 2.500 . 3.700 2.957 2.364 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
230 1 16 THR H 1 16 THR HB 2.500 . 2.700 2.743 2.340 3.803 1.103 37 4 "[ . 1 - . * 2 * . 3 . + 4]" 1
231 1 16 THR H 1 16 THR MG 4.000 . 6.000 3.653 1.853 4.022 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
232 1 17 ALA H 1 17 ALA HA 2.500 . 3.700 2.859 2.819 2.952 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
233 1 17 ALA H 1 17 ALA MB 2.500 . 3.700 2.006 1.906 2.147 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
234 1 18 LEU H 1 18 LEU QB 3.000 . 4.000 2.431 1.989 3.088 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
235 1 18 LEU H 1 18 LEU HG 2.500 . 2.700 2.475 1.864 3.679 0.979 5 2 "[ + 1 . 2 . 3 -. 4]" 1
236 1 18 LEU H 1 18 LEU MD1 4.000 . 6.000 3.414 2.148 4.134 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
237 1 18 LEU H 1 18 LEU MD2 4.000 . 6.000 3.538 1.852 4.345 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
238 1 19 THR H 1 19 THR HA 3.000 . 3.500 2.996 2.956 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
239 1 19 THR H 1 19 THR MG 2.500 . 3.700 3.234 2.540 3.829 0.129 14 0 "[ . 1 . 2 . 3 . 4]" 1
240 1 19 THR H 1 19 THR HB 2.500 . 3.700 3.435 2.628 3.770 0.070 1 0 "[ . 1 . 2 . 3 . 4]" 1
241 1 20 LEU H 1 20 LEU HG 2.500 . 2.700 3.399 1.866 4.679 1.979 28 24 "[ ** . * ** * .****2*- .**+*** * *****4]" 1
242 1 20 LEU H 1 20 LEU HB2 4.000 . 5.000 2.694 1.941 3.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
243 1 20 LEU H 1 20 LEU MD2 4.000 . 6.000 3.267 1.837 4.874 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
244 1 20 LEU H 1 20 LEU HA 3.000 . 3.500 2.837 2.364 2.919 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
245 1 21 ILE H 1 21 ILE HA 2.500 . 3.700 2.841 2.745 2.906 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
246 1 21 ILE H 1 21 ILE HB 2.500 . 2.700 2.828 2.267 3.541 0.841 24 15 "[- *** * 1 * *** * +. 3* . ***]" 1
247 1 21 ILE H 1 21 ILE MG 4.000 . 6.000 3.013 1.945 3.716 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
248 1 21 ILE H 1 21 ILE QG 2.500 . 2.700 2.202 1.828 3.969 1.269 37 3 "[ . - 1 . 2 .* 3 . + 4]" 1
249 1 21 ILE H 1 21 ILE MD 2.500 . 3.700 3.162 1.953 4.181 0.481 7 0 "[ . 1 . 2 . 3 . 4]" 1
250 1 22 MET H 1 22 MET HB2 3.000 . 3.500 2.145 1.988 2.462 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
251 1 22 MET H 1 22 MET HB3 4.000 . 5.000 3.315 2.860 3.606 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
252 1 22 MET H 1 22 MET QG 3.000 . 4.000 3.226 2.226 4.001 0.001 16 0 "[ . 1 . 2 . 3 . 4]" 1
253 1 23 MET H 1 23 MET QG 4.000 . 5.500 2.916 1.812 4.064 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
254 1 23 MET H 1 23 MET HB3 3.000 . 3.500 3.293 2.257 3.748 0.248 12 0 "[ . 1 . 2 . 3 . 4]" 1
255 1 24 LYS H 1 24 LYS HA 3.000 . 3.500 2.997 2.959 3.005 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
256 1 24 LYS H 1 24 LYS HG3 4.000 . 5.000 3.193 2.231 3.891 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
257 1 24 LYS H 1 24 LYS HG2 4.000 . 5.000 3.257 1.957 4.526 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
258 1 25 ALA H 1 25 ALA HA 3.000 . 3.500 2.955 2.891 2.992 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
259 1 25 ALA H 1 25 ALA MB 2.500 . 3.700 2.104 1.950 2.287 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
260 1 26 GLU H 1 26 GLU HA 3.000 . 3.500 2.995 2.976 3.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
261 1 26 GLU H 1 26 GLU HB3 4.000 . 5.000 3.080 2.358 3.633 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
262 1 26 GLU H 1 26 GLU HB2 4.000 . 5.000 2.366 2.126 3.689 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
263 1 26 GLU H 1 26 GLU QG 4.000 . 5.000 3.725 1.909 4.130 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
264 1 27 VAL H 1 27 VAL HA 3.000 . 3.500 2.950 2.884 2.978 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
265 1 27 VAL H 1 27 VAL HB 2.500 . 2.700 2.433 2.244 2.728 0.028 12 0 "[ . 1 . 2 . 3 . 4]" 1
266 1 27 VAL H 1 27 VAL MG2 2.500 . 3.700 2.319 1.860 3.747 0.047 16 0 "[ . 1 . 2 . 3 . 4]" 1
267 1 27 VAL H 1 27 VAL MG1 4.000 . 6.000 3.592 1.894 3.770 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
268 1 28 VAL H 1 28 VAL HB 4.000 . 5.000 3.045 2.218 3.893 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
269 1 28 VAL H 1 28 VAL MG2 3.000 . 4.500 2.911 1.866 4.021 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
270 1 28 VAL H 1 28 VAL MG1 4.000 . 6.000 3.108 1.964 3.938 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
271 1 29 THR H 1 29 THR HA 3.000 . 3.500 2.963 2.906 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
272 1 29 THR H 1 29 THR HB 3.000 . 4.500 3.048 2.379 3.715 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
273 1 29 THR H 1 29 THR MG 4.000 . 6.000 2.405 1.835 3.739 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
274 1 31 MET H 1 31 MET HA 2.500 . 3.700 2.916 2.833 2.938 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
275 1 31 MET H 1 31 MET QG 3.000 . 4.000 2.445 1.843 3.470 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
276 1 31 MET H 1 31 MET HB3 2.500 . 3.700 3.091 2.376 3.556 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
277 1 33 ILE H 1 33 ILE HB 2.500 . 2.700 2.630 2.344 2.916 0.216 40 0 "[ . 1 . 2 . 3 . 4]" 1
278 1 33 ILE H 1 33 ILE HG12 4.000 . 5.000 2.785 1.855 3.480 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
279 1 33 ILE H 1 33 ILE MG 4.000 . 6.000 3.783 3.693 3.929 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
280 1 33 ILE H 1 33 ILE HG13 4.000 . 5.000 2.393 1.857 3.480 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
281 1 33 ILE H 1 33 ILE MD 4.000 . 6.000 3.695 3.100 4.102 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
282 1 35 ALA H 1 35 ALA MB 2.500 . 3.700 2.243 1.939 2.897 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
283 1 36 GLU H 1 36 GLU HA 2.500 . 3.700 2.883 2.765 2.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
284 1 36 GLU H 1 36 GLU HG2 4.000 . 5.000 3.745 1.887 4.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
285 1 36 GLU H 1 36 GLU QB 2.500 . 3.200 2.113 1.928 2.479 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
286 1 37 GLU H 1 37 GLU HG2 3.000 . 3.500 2.513 1.865 3.661 0.161 38 0 "[ . 1 . 2 . 3 . 4]" 1
287 1 37 GLU H 1 37 GLU HG3 3.000 . 3.500 3.426 2.080 4.131 0.631 31 2 "[ . 1 . 2 . 3+ . - 4]" 1
288 1 37 GLU H 1 37 GLU QB 2.500 . 3.200 2.462 2.202 2.791 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
289 1 38 ILE H 1 38 ILE HA 2.500 . 3.700 2.809 2.741 2.884 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
290 1 38 ILE H 1 38 ILE HB 2.500 . 2.700 2.143 1.900 2.287 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
291 1 38 ILE H 1 38 ILE QG 4.000 . 5.500 2.861 2.277 4.029 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
292 1 38 ILE H 1 38 ILE MG 3.000 . 4.500 3.475 2.379 3.693 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
293 1 40 ASN H 1 40 ASN HA 2.500 . 3.700 2.998 2.984 3.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
294 1 40 ASN H 1 40 ASN QB 2.500 . 3.200 2.267 2.096 2.621 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
295 1 40 ASN QB 1 40 ASN HD21 2.500 . 3.200 2.418 2.216 2.845 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
296 1 41 LEU H 1 41 LEU HA 3.000 . 3.500 2.934 2.854 2.985 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
297 1 41 LEU H 1 41 LEU QB 2.500 . 3.200 2.095 1.930 2.298 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
298 1 41 LEU H 1 41 LEU HG 3.000 . 3.500 4.272 3.556 4.476 0.976 1 36 "[+************** *-***** ******* *******]" 1
299 1 41 LEU H 1 41 LEU MD2 3.000 . 4.500 4.157 2.087 4.370 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
300 1 41 LEU H 1 41 LEU MD1 4.000 . 6.000 3.570 2.443 4.298 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
301 1 42 VAL H 1 42 VAL HA 2.500 . 3.200 2.775 2.753 2.821 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
302 1 42 VAL H 1 42 VAL HB 2.500 . 2.700 2.356 2.241 2.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
303 1 42 VAL H 1 42 VAL MG1 2.500 . 3.700 3.703 3.672 3.716 0.016 27 0 "[ . 1 . 2 . 3 . 4]" 1
304 1 43 GLY H 1 43 GLY HA3 3.000 . 3.500 2.986 2.963 2.994 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
305 1 43 GLY H 1 43 GLY HA2 2.500 . 2.700 2.482 2.406 2.589 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
306 1 44 MET H 1 44 MET HA 3.000 . 3.500 2.955 2.893 2.990 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
307 1 44 MET H 1 44 MET QG 3.000 . 3.500 3.677 2.010 4.061 0.561 31 6 "[ * . - 1* . 2 . 3+ * . * 4]" 1
308 1 44 MET H 1 44 MET QB 2.500 . 3.200 2.159 1.943 2.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
309 1 45 GLN H 1 45 GLN HA 3.000 . 3.500 2.988 2.958 2.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
310 1 45 GLN H 1 45 GLN QG 3.000 . 3.500 2.702 1.946 3.834 0.334 16 0 "[ . 1 . 2 . 3 . 4]" 1
311 1 45 GLN H 1 45 GLN QB 2.500 . 3.200 2.363 2.028 2.601 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
312 1 46 VAL H 1 46 VAL HB 4.000 . 5.000 3.607 3.077 3.740 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
313 1 46 VAL H 1 46 VAL QG 2.500 . 3.700 1.854 1.699 2.025 0.101 11 0 "[ . 1 . 2 . 3 . 4]" 1
314 1 46 VAL H 1 46 VAL HA 3.000 . 3.500 2.974 2.913 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
315 1 47 ASN H 1 47 ASN HA 3.000 . 3.500 2.994 2.976 2.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
316 1 48 ARG H 1 48 ARG HA 2.500 . 3.700 2.995 2.962 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
317 1 48 ARG H 1 48 ARG QD 4.000 . 5.500 4.535 3.924 5.080 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
318 1 48 ARG H 1 48 ARG QG 3.000 . 3.500 3.135 2.065 3.777 0.277 28 0 "[ . 1 . 2 . 3 . 4]" 1
319 1 49 ALA H 1 49 ALA MB 2.500 . 3.700 2.038 1.912 2.199 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
320 1 49 ALA H 1 49 ALA HA 3.000 . 3.500 2.854 2.769 2.948 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
321 1 50 VAL H 1 50 VAL HA 3.000 . 3.500 2.998 2.932 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
322 1 50 VAL H 1 50 VAL HB 2.500 . 2.700 2.597 2.278 3.600 0.900 5 4 "[ + * 1* . 2 . 3 . - 4]" 1
323 1 50 VAL H 1 50 VAL MG2 2.500 . 3.700 2.715 1.801 3.128 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
324 1 50 VAL H 1 50 VAL MG1 3.000 . 5.000 3.698 2.344 3.894 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
325 1 52 LEU H 1 52 LEU HA 3.000 . 3.500 2.840 2.359 2.959 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
326 1 52 LEU H 1 52 LEU QB 2.500 . 3.200 2.106 1.926 3.018 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
327 1 52 LEU H 1 52 LEU HG 2.500 . 3.700 3.606 2.987 4.192 0.492 32 0 "[ . 1 . 2 . 3 . 4]" 1
328 1 53 GLY H 1 53 GLY HA3 3.000 . 3.500 2.794 2.751 2.957 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
329 1 53 GLY H 1 53 GLY HA2 3.000 . 3.500 2.357 2.345 2.395 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
330 1 54 THR H 1 54 THR HG1 2.500 . 2.700 2.854 1.931 4.331 1.631 8 10 "[ . +**** . 2* - . * 3 *. * 4]" 1
331 1 54 THR H 1 54 THR HA 2.500 . 3.700 2.949 2.865 2.977 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
332 1 54 THR H 1 54 THR HB 2.500 . 2.700 2.482 2.139 3.617 0.917 27 3 "[ .- * . 2 . + 3 . 4]" 1
333 1 54 THR H 1 54 THR MG 3.000 . 4.500 3.321 1.845 3.768 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
334 1 55 THR H 1 55 THR HG1 3.000 . 4.500 3.071 1.913 4.374 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
335 1 55 THR H 1 55 THR HB 2.500 . 2.700 2.673 2.230 3.523 0.823 31 4 "[ . * 1 . 2 . 3+- .* 4]" 1
336 1 55 THR H 1 55 THR MG 4.000 . 6.000 3.124 1.845 3.715 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
337 1 56 LEU H 1 56 LEU HB3 3.000 . 3.500 2.945 2.046 3.326 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
338 1 56 LEU H 1 56 LEU HB2 4.000 . 5.000 2.131 1.934 3.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
339 1 57 MET H 1 57 MET HG3 4.000 . 5.000 3.531 2.407 4.590 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
340 1 57 MET H 1 57 MET HG2 4.000 . 5.000 3.701 1.915 4.762 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
341 1 57 MET H 1 57 MET HB3 3.000 . 3.500 3.339 2.559 3.691 0.191 35 0 "[ . 1 . 2 . 3 . 4]" 1
342 1 57 MET H 1 57 MET HB2 4.000 . 5.000 2.428 2.109 3.695 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
343 1 59 ASP H 1 59 ASP HA 3.000 . 3.500 2.922 2.824 2.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
344 1 59 ASP H 1 59 ASP HB2 4.000 . 5.000 2.355 1.964 3.596 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
345 1 59 ASP H 1 59 ASP HB3 3.000 . 3.500 2.930 2.230 3.542 0.042 39 0 "[ . 1 . 2 . 3 . 4]" 1
346 1 60 MET H 1 60 MET HA 3.000 . 3.500 2.978 2.899 3.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
347 1 60 MET H 1 60 MET QG 2.500 . 2.700 2.242 1.854 2.589 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
348 1 60 MET H 1 60 MET QB 2.500 . 2.700 2.525 2.351 2.668 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
349 1 61 VAL H 1 61 VAL HA 3.000 . 3.500 2.989 2.926 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
350 1 61 VAL H 1 61 VAL HB 2.500 . 2.700 2.529 2.244 2.783 0.083 22 0 "[ . 1 . 2 . 3 . 4]" 1
351 1 61 VAL H 1 61 VAL MG1 4.000 . 6.000 3.792 3.661 3.905 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
352 1 61 VAL H 1 61 VAL MG2 2.500 . 3.700 2.601 1.892 3.133 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
353 1 62 LYS H 1 62 LYS QB 3.000 . 4.000 2.113 1.919 2.441 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
354 1 62 LYS H 1 62 LYS HG3 4.000 . 5.000 3.521 1.875 4.519 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
355 1 62 LYS H 1 62 LYS HG2 4.000 . 5.000 3.542 1.875 4.556 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
356 1 62 LYS H 1 62 LYS QD 4.000 . 5.500 4.087 2.642 4.807 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
357 1 63 ASN H 1 63 ASN HA 2.500 . 3.700 2.962 2.869 2.984 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
358 1 64 TYR H 1 64 TYR QD 4.000 . 5.000 3.252 1.871 4.040 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
359 1 64 TYR H 1 64 TYR HA 2.500 . 3.700 2.804 2.766 2.943 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
360 1 64 TYR H 1 64 TYR HB3 2.500 . 3.700 3.055 2.249 3.547 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
361 1 64 TYR H 1 64 TYR HB2 2.500 . 2.700 2.212 1.940 3.572 0.872 24 3 "[ . 1 . 2 +. 3 *- . 4]" 1
362 1 65 GLU H 1 65 GLU HG3 3.000 . 4.500 3.428 1.851 4.668 0.168 12 0 "[ . 1 . 2 . 3 . 4]" 1
363 1 65 GLU H 1 65 GLU HG2 4.000 . 5.000 2.960 1.890 4.562 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
364 1 65 GLU H 1 65 GLU HB3 3.000 . 3.500 3.093 2.202 3.647 0.147 37 0 "[ . 1 . 2 . 3 . 4]" 1
365 1 65 GLU H 1 65 GLU HB2 2.500 . 2.700 2.665 1.939 3.606 0.906 5 13 "[ * + *1* *.* ** * * * 3* .- 4]" 1
366 1 65 GLU H 1 65 GLU HA 2.500 . 3.700 2.921 2.852 2.990 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
367 1 66 ASP H 1 66 ASP HA 3.000 . 3.500 2.911 2.830 2.980 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
368 1 66 ASP H 1 66 ASP QB 2.500 . 3.200 2.238 1.921 2.704 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
369 1 67 GLY H 1 67 GLY QA 2.500 . 3.200 2.361 2.234 2.535 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
370 1 68 THR H 1 68 THR HG1 3.000 . 3.500 2.445 1.849 3.410 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
371 1 68 THR H 1 68 THR HA 3.000 . 3.500 2.962 2.899 2.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
372 1 68 THR H 1 68 THR HB 4.000 . 5.000 2.724 2.232 3.582 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
373 1 68 THR H 1 68 THR MG 3.000 . 4.500 3.583 2.296 3.810 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
374 1 69 THR H 1 69 THR HG1 2.500 . 2.700 3.128 1.910 4.396 1.696 9 15 "[**- . +** * . * 2 ***. *3 .** *4]" 1
375 1 69 THR H 1 69 THR MG 2.500 . 3.700 2.914 1.837 3.809 0.109 18 0 "[ . 1 . 2 . 3 . 4]" 1
376 1 70 SER H 1 70 SER HA 2.500 . 3.700 2.850 2.369 3.005 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
377 1 70 SER H 1 70 SER HB2 2.500 . 3.700 2.741 1.957 3.891 0.191 29 0 "[ . 1 . 2 . 3 . 4]" 1
378 1 72 GLY H 1 72 GLY QA 2.500 . 3.700 2.431 2.238 2.535 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
379 1 73 LEU H 1 73 LEU QB 2.500 . 3.200 2.160 1.927 2.721 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
380 1 73 LEU H 1 73 LEU MD2 4.000 . 6.000 3.541 1.918 4.446 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
381 1 74 LYS H 1 74 LYS QG 4.000 . 5.500 3.143 1.864 4.040 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
382 1 74 LYS H 1 74 LYS HD2 4.000 . 5.000 4.405 2.092 5.872 0.872 10 4 "[ * . + . *2- . 3 . 4]" 1
383 1 2 ASN QB 1 3 LYS H 3.000 . 3.500 3.536 2.006 4.067 0.567 26 7 "[* **. - 1 . * 2 .+ 3 *. 4]" 1
384 1 3 LYS HA 1 4 ALA H 2.500 . 2.700 2.409 2.215 3.450 0.750 14 1 "[ . 1 +. 2 . 3 . 4]" 1
385 1 3 LYS QB 1 4 ALA H 2.500 . 3.200 3.098 1.990 3.967 0.767 20 7 "[* . * 1 . + *. * .- *4]" 1
386 1 3 LYS HG3 1 4 ALA H 4.000 . 5.000 3.780 2.346 5.013 0.013 14 0 "[ . 1 . 2 . 3 . 4]" 1
387 1 3 LYS HG2 1 4 ALA H 4.000 . 5.000 3.956 2.624 4.956 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
388 1 3 LYS QD 1 4 ALA H 4.000 . 5.500 4.226 1.874 4.903 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
389 1 4 ALA HA 1 5 SER H 2.500 . 2.700 2.270 2.210 2.534 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
390 1 4 ALA MB 1 5 SER H 2.500 . 3.700 3.097 2.385 3.471 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
391 1 4 ALA H 1 5 SER H 4.000 . 5.000 4.599 4.416 4.694 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
392 1 5 SER QB 1 6 VAL H 3.000 . 4.000 3.077 2.454 3.666 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
393 1 5 SER HA 1 6 VAL H 2.500 . 2.700 2.362 2.214 2.661 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
394 1 6 VAL HA 1 7 VAL H 2.500 . 2.700 2.238 2.210 2.364 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
395 1 7 VAL H 1 8 ALA H 4.000 . 5.000 4.247 3.907 4.441 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
396 1 7 VAL HA 1 8 ALA H 2.500 . 2.700 2.229 2.209 2.307 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
397 1 7 VAL MG1 1 8 ALA H 2.500 . 3.700 3.008 2.505 3.535 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
398 1 7 VAL HB 1 8 ALA H 3.000 . 4.500 4.272 4.094 4.417 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
399 1 9 ASN H 1 10 GLN H 3.000 . 3.500 2.729 2.494 3.111 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
400 1 8 ALA HA 1 9 ASN H 2.500 . 2.700 2.228 2.208 2.279 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
401 1 8 ALA MB 1 9 ASN H 4.000 . 6.000 3.252 3.005 3.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
402 1 8 ALA H 1 9 ASN H 4.000 . 5.000 4.577 4.369 4.674 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
403 1 9 ASN H 1 10 GLN QB 4.000 . 5.000 4.469 4.213 4.820 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
404 1 9 ASN HA 1 10 GLN H 4.000 . 5.000 3.581 3.495 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
405 1 9 ASN QB 1 10 GLN H 4.000 . 5.500 2.218 1.869 3.305 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
406 1 10 GLN H 1 11 LEU H 4.000 . 5.000 4.633 4.520 4.702 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
407 1 10 GLN QG 1 11 LEU H 2.500 . 2.700 2.392 1.870 3.630 0.930 12 3 "[ . 1 + . 2 * . 3 . -4]" 1
408 1 10 GLN QB 1 11 LEU H 2.500 . 2.700 3.528 2.441 3.854 1.154 19 36 "[*********** ***-*+** **************** *]" 1
409 1 10 GLN HA 1 11 LEU H 2.500 . 2.700 2.309 2.220 2.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
410 1 11 LEU HA 1 12 ILE H 2.500 . 2.700 2.244 2.200 2.383 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
411 1 11 LEU H 1 12 ILE H 4.000 . 5.000 4.604 4.379 4.695 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
412 1 11 LEU MD2 1 12 ILE H 3.000 . 4.500 3.719 2.108 5.082 0.582 4 4 "[ -+. 1* . 2 . * 3 . 4]" 1
413 1 11 LEU QB 1 12 ILE H 4.000 . 5.500 3.560 2.852 4.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
414 1 13 PRO HA 1 14 ILE H 2.500 . 2.700 2.862 2.374 3.508 0.808 28 8 "[ * * 1 . *2 . + 3 *- ** 4]" 1
415 1 14 ILE H 1 15 ASN H 4.000 . 5.000 4.546 4.329 4.706 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
416 1 14 ILE HA 1 15 ASN H 2.500 . 2.700 2.639 2.376 2.804 0.104 15 0 "[ . 1 . 2 . 3 . 4]" 1
417 1 14 ILE MG 1 15 ASN H 3.000 . 4.500 2.721 1.786 3.912 0.014 12 0 "[ . 1 . 2 . 3 . 4]" 1
418 1 14 ILE MG 1 15 ASN HD21 4.000 . 6.000 3.997 1.916 4.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
419 1 14 ILE MD 1 15 ASN HD21 4.000 . 6.000 3.824 1.733 5.371 0.067 32 0 "[ . 1 . 2 . 3 . 4]" 1
420 1 15 ASN HA 1 16 THR H 2.500 . 2.700 3.011 2.354 3.590 0.890 22 2 "[ . - . 2 + . 3 . 4]" 1
421 1 15 ASN HB3 1 16 THR H 4.000 . 5.000 4.187 1.894 4.675 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
422 1 16 THR H 1 17 ALA H 4.000 . 5.000 4.255 3.740 4.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
423 1 16 THR HA 1 17 ALA H 2.500 . 2.700 2.240 2.209 2.350 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
424 1 16 THR HB 1 17 ALA H 4.000 . 5.000 4.239 3.765 4.521 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
425 1 17 ALA HA 1 18 LEU H 2.500 . 2.700 2.335 2.205 2.665 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
426 1 17 ALA MB 1 18 LEU H 3.000 . 4.500 2.954 2.278 3.679 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
427 1 18 LEU HA 1 19 THR H 2.500 . 2.700 2.276 2.207 2.416 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
428 1 18 LEU QB 1 19 THR H 2.500 . 3.200 3.116 2.614 3.688 0.488 32 0 "[ . 1 . 2 . 3 . 4]" 1
429 1 18 LEU MD2 1 19 THR H 3.000 . 4.500 3.896 2.042 5.009 0.509 12 1 "[ . 1 + . 2 . 3 . 4]" 1
430 1 18 LEU HG 1 19 THR H 4.000 . 5.000 4.698 4.127 5.029 0.029 17 0 "[ . 1 . 2 . 3 . 4]" 1
431 1 20 LEU H 1 21 ILE H 4.000 . 5.000 2.806 2.475 4.149 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
432 1 19 THR HA 1 20 LEU H 2.500 . 2.700 2.492 2.212 2.868 0.168 23 0 "[ . 1 . 2 . 3 . 4]" 1
433 1 19 THR MG 1 20 LEU H 4.000 . 6.000 3.235 1.852 4.228 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
434 1 19 THR HB 1 20 LEU H 2.500 . 2.700 2.727 1.865 4.198 1.498 28 8 "[ .-* * *. * . + 3 * * 4]" 1
435 1 20 LEU HA 1 21 ILE H 4.000 . 5.000 3.558 3.398 3.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
436 1 20 LEU HB3 1 21 ILE H 2.500 . 3.700 3.082 1.893 4.104 0.404 6 0 "[ . 1 . 2 . 3 . 4]" 1
437 1 20 LEU HB2 1 21 ILE H 3.000 . 4.500 3.397 2.005 4.424 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
438 1 21 ILE H 1 22 MET H 2.500 . 3.700 2.727 2.490 3.130 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
439 1 21 ILE HA 1 22 MET H 4.000 . 5.000 3.501 3.401 3.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
440 1 21 ILE HB 1 22 MET H 4.000 . 5.000 3.302 2.140 4.168 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
441 1 22 MET H 1 23 MET H 2.500 . 2.700 2.434 2.183 2.965 0.265 27 0 "[ . 1 . 2 . 3 . 4]" 1
442 1 22 MET HA 1 23 MET H 4.000 . 5.000 3.398 3.002 3.590 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
443 1 23 MET H 1 24 LYS H 4.000 . 5.000 4.359 3.967 4.583 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
444 1 23 MET HA 1 24 LYS H 2.500 . 2.700 2.237 2.208 2.334 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
445 1 24 LYS HA 1 25 ALA H 2.500 . 3.700 2.342 2.210 2.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
446 1 24 LYS HG2 1 25 ALA H 3.000 . 4.500 4.276 3.193 5.010 0.510 15 1 "[ . 1 + 2 . 3 . 4]" 1
447 1 25 ALA MB 1 26 GLU H 3.000 . 4.500 3.600 3.415 3.733 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
448 1 25 ALA HA 1 26 GLU H 2.500 . 2.700 2.315 2.216 2.526 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
449 1 26 GLU H 1 27 VAL H 4.000 . 5.000 4.513 4.371 4.596 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
450 1 27 VAL H 1 28 VAL H 4.000 . 5.000 3.765 2.611 4.263 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
451 1 26 GLU HA 1 27 VAL H 2.500 . 2.700 2.270 2.210 2.393 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
452 1 26 GLU QG 1 27 VAL H 2.500 . 2.700 3.104 2.084 4.428 1.728 5 17 "[ **+* * *** * *2 -. **** *. * 4]" 1
453 1 26 GLU HB3 1 27 VAL H 3.000 . 3.500 3.579 2.976 4.174 0.674 38 5 "[ . 1 . 2* * . * 3 - . + 4]" 1
454 1 26 GLU HB2 1 27 VAL H 4.000 . 5.000 4.347 2.813 4.604 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
455 1 27 VAL HA 1 28 VAL H 2.500 . 2.700 2.537 2.287 3.283 0.583 40 1 "[ . 1 . 2 . 3 . +]" 1
456 1 28 VAL HA 1 29 THR H 2.500 . 2.700 2.427 2.208 2.758 0.058 37 0 "[ . 1 . 2 . 3 . 4]" 1
457 1 28 VAL HB 1 29 THR H 2.500 . 2.700 3.537 1.949 4.339 1.639 40 30 "[*** .****** * .****2 ***-*** * ***** **+]" 1
458 1 28 VAL MG2 1 29 THR H 4.000 . 6.000 3.162 1.853 4.284 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
459 1 28 VAL MG1 1 29 THR H 3.000 . 4.500 2.927 1.805 3.898 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
460 1 30 PRO HA 1 31 MET H 2.500 . 2.700 2.462 2.221 2.786 0.086 23 0 "[ . 1 . 2 . 3 . 4]" 1
461 1 30 PRO HB3 1 31 MET H 3.000 . 3.500 3.596 3.236 4.063 0.563 36 4 "[ . -* . 2 * . 3 .+ 4]" 1
462 1 30 PRO HG2 1 31 MET H 4.000 . 5.000 4.468 3.790 5.004 0.004 36 0 "[ . 1 . 2 . 3 . 4]" 1
463 1 31 MET HA 1 32 GLY H 2.500 . 2.700 2.921 2.208 3.595 0.895 24 17 "[* * . **** . * 2- *+* ***3 ***. 4]" 1
464 1 31 MET QG 1 32 GLY H 4.000 . 5.500 3.807 1.898 4.655 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
465 1 31 MET HB3 1 32 GLY H 4.000 . 5.000 3.501 1.867 4.676 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
466 1 32 GLY HA3 1 33 ILE H 4.000 . 5.000 2.249 2.171 2.482 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
467 1 32 GLY HA2 1 33 ILE H 3.000 . 3.500 3.206 2.771 3.578 0.078 11 0 "[ . 1 . 2 . 3 . 4]" 1
468 1 32 GLY H 1 33 ILE H 4.000 . 5.000 4.141 2.588 4.702 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
469 1 34 PRO HA 1 35 ALA H 2.500 . 2.700 2.754 2.469 3.347 0.647 28 3 "[ . 1 . - . + 3 . * 4]" 1
470 1 34 PRO HB3 1 35 ALA H 4.000 . 5.000 3.504 3.209 4.710 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
471 1 34 PRO HB2 1 35 ALA H 4.000 . 5.000 2.444 1.866 4.366 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
472 1 35 ALA H 1 36 GLU H 3.000 . 3.500 2.777 2.158 3.338 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
473 1 36 GLU H 1 37 GLU H 3.000 . 3.500 2.634 2.412 3.262 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
474 1 35 ALA HA 1 36 GLU H 4.000 . 5.000 3.038 2.810 3.373 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
475 1 35 ALA MB 1 36 GLU H 2.500 . 4.700 3.556 3.125 3.699 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
476 1 37 GLU H 1 38 ILE H 3.000 . 3.500 2.951 2.293 3.610 0.110 28 0 "[ . 1 . 2 . 3 . 4]" 1
477 1 36 GLU HA 1 37 GLU H 4.000 . 5.000 3.535 3.405 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
478 1 37 GLU H 1 38 ILE HB 4.000 . 5.000 4.921 4.251 5.069 0.069 20 0 "[ . 1 . 2 . 3 . 4]" 1
479 1 37 GLU HA 1 38 ILE H 4.000 . 5.000 2.939 2.563 3.308 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
480 1 38 ILE H 1 39 PRO HD3 4.000 . 5.000 2.956 2.294 3.290 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
481 1 38 ILE H 1 39 PRO QG 3.000 . 8.000 4.076 3.913 4.238 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
482 1 39 PRO HA 1 40 ASN H 4.000 . 5.000 3.378 3.323 3.483 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
483 1 39 PRO HD2 1 40 ASN H 3.000 . 3.500 2.770 2.437 2.942 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
484 1 39 PRO HD3 1 40 ASN H 4.000 . 5.000 3.905 3.698 4.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
485 1 39 PRO HB3 1 40 ASN H 4.000 . 5.000 4.458 4.348 4.510 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
486 1 39 PRO QG 1 40 ASN H 4.000 . 5.500 3.154 2.885 3.349 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
487 1 39 PRO HB2 1 40 ASN H 3.000 . 4.000 3.862 3.635 3.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
488 1 40 ASN H 1 41 LEU H 2.500 . 2.700 2.064 1.960 2.280 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
489 1 41 LEU H 1 42 VAL H 2.500 . 2.700 2.442 2.155 2.753 0.053 35 0 "[ . 1 . 2 . 3 . 4]" 1
490 1 40 ASN HA 1 41 LEU H 4.000 . 5.000 3.530 3.414 3.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
491 1 40 ASN QB 1 41 LEU H 4.000 . 5.500 2.752 2.267 3.696 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
492 1 41 LEU H 1 42 VAL MG1 4.000 . 6.000 5.585 5.341 5.814 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
493 1 41 LEU H 1 42 VAL HB 4.000 . 5.000 4.351 4.018 4.609 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
494 1 41 LEU HA 1 42 VAL H 4.000 . 5.000 3.552 3.424 3.585 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
495 1 41 LEU QB 1 42 VAL H 4.000 . 5.500 2.625 2.257 3.098 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
496 1 41 LEU HG 1 42 VAL H 4.000 . 5.000 4.536 3.485 5.007 0.007 39 0 "[ . 1 . 2 . 3 . 4]" 1
497 1 43 GLY H 1 44 MET H 3.000 . 3.500 2.137 1.863 2.942 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
498 1 42 VAL HA 1 43 GLY H 2.500 . 2.700 2.244 2.208 2.333 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
499 1 42 VAL MG1 1 43 GLY H 2.500 . 3.700 3.013 1.977 3.466 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
500 1 42 VAL HB 1 43 GLY H 4.000 . 5.000 4.459 4.124 4.561 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
501 1 43 GLY HA2 1 44 MET H 4.000 . 5.000 3.241 2.980 3.538 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
502 1 44 MET HA 1 45 GLN H 2.500 . 2.700 2.296 2.209 2.415 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
503 1 44 MET QG 1 45 GLN H 4.000 . 5.000 2.914 1.980 4.077 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
504 1 45 GLN HA 1 46 VAL H 2.500 . 2.700 2.353 2.212 2.722 0.022 30 0 "[ . 1 . 2 . 3 . 4]" 1
505 1 45 GLN QB 1 46 VAL H 4.000 . 5.500 2.908 2.182 3.566 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
506 1 47 ASN H 1 48 ARG H 2.500 . 2.700 2.222 2.035 2.977 0.277 5 0 "[ . 1 . 2 . 3 . 4]" 1
507 1 46 VAL HA 1 47 ASN H 2.500 . 2.700 2.434 2.330 2.544 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
508 1 46 VAL HB 1 47 ASN H 2.500 . 2.700 2.736 2.449 3.889 1.189 7 2 "[ . + 1 - . 2 . 3 . 4]" 1
509 1 46 VAL QG 1 47 ASN H 4.000 . 4.500 3.111 1.829 3.374 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
510 1 47 ASN H 1 48 ARG QG 4.000 . 5.000 4.157 3.160 4.804 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
511 1 47 ASN HA 1 48 ARG H 3.000 . 3.500 3.325 2.866 3.532 0.032 12 0 "[ . 1 . 2 . 3 . 4]" 1
512 1 47 ASN QB 1 48 ARG H 3.000 . 3.500 3.357 2.853 3.887 0.387 5 0 "[ . 1 . 2 . 3 . 4]" 1
513 1 48 ARG H 1 49 ALA H 4.000 . 5.000 4.417 4.133 4.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
514 1 48 ARG HA 1 49 ALA H 2.500 . 2.700 2.325 2.205 2.633 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
515 1 48 ARG QB 1 49 ALA H . . 3.500 3.010 2.166 3.631 0.131 6 0 "[ . 1 . 2 . 3 . 4]" 1
516 1 48 ARG QG 1 49 ALA H 4.000 . 5.000 3.743 3.014 4.373 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
517 1 49 ALA HA 1 50 VAL H 2.500 . 2.700 2.254 2.205 2.350 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
518 1 49 ALA MB 1 50 VAL H 2.500 . 3.700 3.077 2.726 3.448 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
519 1 49 ALA H 1 50 VAL H 4.000 . 5.000 4.629 4.436 4.695 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
520 1 51 PRO HA 1 52 LEU H 2.500 . 2.700 2.706 2.288 2.860 0.160 28 0 "[ . 1 . 2 . 3 . 4]" 1
521 1 51 PRO QG 1 52 LEU H 4.000 . 5.500 3.819 3.504 4.790 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
522 1 51 PRO QB 1 52 LEU H 4.000 . 5.500 2.248 1.843 4.022 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
523 1 53 GLY H 1 54 THR H 3.000 . 3.500 2.943 2.644 3.399 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
524 1 52 LEU HA 1 53 GLY H 2.500 . 2.700 2.341 2.214 2.479 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
525 1 52 LEU HG 1 53 GLY H 4.000 . 5.000 3.536 2.540 4.015 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
526 1 52 LEU QB 1 53 GLY H 4.000 . 5.500 3.011 2.541 3.437 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
527 1 52 LEU MD2 1 53 GLY H 3.000 . 4.500 3.217 2.251 4.229 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
528 1 53 GLY HA2 1 54 THR H 4.000 . 5.000 2.760 2.390 2.971 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
529 1 54 THR H 1 55 THR H 4.000 . 5.000 4.401 4.071 4.642 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
530 1 54 THR HG1 1 55 THR H 4.000 . 5.000 4.468 2.596 5.019 0.019 5 0 "[ . 1 . 2 . 3 . 4]" 1
531 1 54 THR HA 1 55 THR H 2.500 . 2.700 2.246 2.208 2.368 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
532 1 54 THR HB 1 55 THR H 3.000 . 4.500 4.345 3.928 4.584 0.084 3 0 "[ . 1 . 2 . 3 . 4]" 1
533 1 54 THR MG 1 55 THR H 2.500 . 3.700 3.244 2.377 4.344 0.644 10 3 "[ .- + . 2 . * 3 . 4]" 1
534 1 55 THR H 1 56 LEU H 4.000 . 5.000 4.639 4.419 4.704 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
535 1 55 THR HA 1 56 LEU H 2.500 . 2.700 2.268 2.202 2.434 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
536 1 56 LEU HA 1 57 MET H 2.500 . 2.700 2.257 2.177 2.428 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
537 1 56 LEU HB2 1 57 MET H 4.000 . 5.000 4.592 3.559 4.698 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
538 1 56 LEU MD1 1 57 MET H 4.000 . 6.000 3.538 2.314 5.024 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
539 1 56 LEU HB3 1 57 MET H 4.000 . 5.000 4.183 3.800 4.611 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
540 1 58 PRO HA 1 59 ASP H 4.000 . 5.000 3.352 3.253 3.554 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
541 1 58 PRO QB 1 59 ASP H 3.000 . 4.000 3.671 3.153 3.821 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
542 1 59 ASP H 1 60 MET H 2.500 . 2.700 2.531 2.288 2.935 0.235 6 0 "[ . 1 . 2 . 3 . 4]" 1
543 1 60 MET H 1 61 VAL H 2.500 . 2.700 2.944 2.053 3.781 1.081 17 18 "[ * ** * ** **. + **** . -* 3* * *4]" 1
544 1 59 ASP HA 1 60 MET H 4.000 . 5.000 3.537 3.409 3.601 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
545 1 59 ASP HB2 1 60 MET H 4.000 . 5.000 3.366 1.971 4.191 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
546 1 60 MET H 1 61 VAL MG2 4.000 . 6.000 3.121 2.598 3.604 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
547 1 60 MET HA 1 61 VAL H 4.000 . 5.000 2.956 2.550 3.508 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
548 1 60 MET QB 1 61 VAL H 4.000 . 5.000 3.684 2.827 4.048 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
549 1 61 VAL HA 1 62 LYS H 2.500 . 2.700 2.252 2.209 2.419 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
550 1 61 VAL MG1 1 62 LYS H 3.000 . 4.500 3.054 2.244 3.743 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
551 1 63 ASN H 1 64 TYR H 3.000 . 4.500 4.025 3.343 4.277 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
552 1 62 LYS HA 1 63 ASN H 2.500 . 3.700 3.498 2.816 3.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
553 1 62 LYS QB 1 63 ASN H 4.000 . 5.500 2.020 1.794 3.447 0.006 34 0 "[ . 1 . 2 . 3 . 4]" 1
554 1 63 ASN HA 1 64 TYR H 3.000 . 3.500 2.376 2.243 2.738 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
555 1 65 GLU H 1 66 ASP H 3.000 . 4.500 3.491 2.273 4.674 0.174 33 0 "[ . 1 . 2 . 3 . 4]" 1
556 1 64 TYR QD 1 65 GLU H 4.000 . 5.000 2.669 1.846 4.407 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
557 1 64 TYR HB3 1 65 GLU H 4.000 . 5.000 3.353 2.033 3.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
558 1 64 TYR HB2 1 65 GLU H 4.000 . 5.000 4.048 2.089 4.600 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
559 1 64 TYR HA 1 65 GLU H 2.500 . 2.700 2.394 2.209 2.846 0.146 24 0 "[ . 1 . 2 . 3 . 4]" 1
560 1 65 GLU HA 1 66 ASP H 2.500 . 3.700 3.255 2.262 3.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
561 1 65 GLU HG3 1 66 ASP H 4.000 . 5.000 4.031 2.060 4.979 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
562 1 65 GLU HB3 1 66 ASP H 4.000 . 5.000 2.941 1.866 4.469 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
563 1 65 GLU HB2 1 66 ASP H 4.000 . 5.000 2.420 1.788 4.670 0.012 16 0 "[ . 1 . 2 . 3 . 4]" 1
564 1 67 GLY H 1 68 THR H 3.000 . 3.500 3.510 2.425 4.640 1.140 9 8 "[ . +1 .* *** * 3- .* 4]" 1
565 1 66 ASP HA 1 67 GLY H 2.500 . 2.700 2.794 2.278 3.590 0.890 9 12 "[ . * +1 * . * * .-* ** * .* *]" 1
566 1 66 ASP QB 1 67 GLY H 4.000 . 5.500 3.541 1.935 4.071 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
567 1 67 GLY H 1 68 THR HG1 4.000 . 5.000 4.409 2.611 5.128 0.128 32 0 "[ . 1 . 2 . 3 . 4]" 1
568 1 67 GLY QA 1 68 THR H 3.000 . 4.000 2.398 2.156 2.939 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
569 1 68 THR HB 1 69 THR H 2.500 . 2.700 3.297 1.869 4.485 1.785 29 22 "[***** * 1 * **** *2*** * - +3* . * **]" 1
570 1 69 THR H 1 70 SER H 3.000 . 3.500 3.275 2.042 4.579 1.079 19 13 "[ .* 1 * * *+2 . *- ** *** *]" 1
571 1 69 THR HB 1 70 SER H 4.000 . 5.000 2.962 1.849 4.681 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
572 1 69 THR MG 1 70 SER H 4.000 . 6.000 3.192 1.841 4.447 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
573 1 72 GLY H 1 73 LEU H 4.000 . 5.000 2.948 1.825 4.605 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
574 1 71 PRO HA 1 72 GLY H 2.500 . 2.700 2.609 2.218 3.508 0.808 9 6 "[ . - +1* . * 2* . 3 . * 4]" 1
575 1 73 LEU H 1 74 LYS H 3.000 . 4.500 3.592 2.131 4.688 0.188 38 0 "[ . 1 . 2 . 3 . 4]" 1
576 1 72 GLY QA 1 73 LEU H . . 2.700 2.565 2.163 2.941 0.241 10 0 "[ . 1 . 2 . 3 . 4]" 1
577 1 73 LEU HA 1 74 LYS H 2.500 . 3.700 2.821 2.210 3.590 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
578 1 73 LEU MD2 1 74 LYS H 4.000 . 6.000 4.106 1.920 4.972 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
579 1 8 ALA HA 1 10 GLN H 4.000 . 5.000 4.468 3.739 5.004 0.004 4 0 "[ . 1 . 2 . 3 . 4]" 1
580 1 8 ALA MB 1 10 GLN H 2.500 . 4.200 4.098 3.049 4.766 0.566 1 1 "[+ . 1 . 2 . 3 . 4]" 1
581 1 19 THR H 1 22 MET HB2 4.000 . 5.000 2.464 1.861 3.600 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
582 1 19 THR H 1 22 MET HB3 4.000 . 5.000 3.341 2.220 5.002 0.002 18 0 "[ . 1 . 2 . 3 . 4]" 1
583 1 19 THR HA 1 21 ILE H 4.000 . 5.000 4.525 3.882 5.336 0.336 23 0 "[ . 1 . 2 . 3 . 4]" 1
584 1 19 THR HB 1 21 ILE H 3.000 . 3.500 2.912 2.220 4.373 0.873 28 1 "[ . 1 . 2 . + 3 . 4]" 1
585 1 20 LEU HA 1 22 MET H 4.000 . 5.000 3.991 3.639 4.896 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
586 1 20 LEU HB3 1 22 MET H 4.000 . 5.000 5.074 4.474 5.531 0.531 18 9 "[ ** 1* ** + * . - 3 * . 4]" 1
587 1 21 ILE HA 1 23 MET H 4.000 . 5.000 4.135 3.560 4.986 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
588 1 20 LEU HA 1 23 MET H 4.000 . 5.000 3.379 2.945 3.949 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
589 1 29 THR HA 1 31 MET H 3.000 . 3.500 3.189 2.225 3.873 0.373 23 0 "[ . 1 . 2 . 3 . 4]" 1
590 1 34 PRO HA 1 36 GLU H 4.000 . 5.000 4.382 4.038 4.781 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
591 1 34 PRO HB3 1 36 GLU H 4.000 . 5.000 4.416 3.961 5.009 0.009 4 0 "[ . 1 . 2 . 3 . 4]" 1
592 1 35 ALA HA 1 37 GLU H 4.000 . 5.000 3.697 3.189 4.807 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
593 1 37 GLU H 1 39 PRO HD2 4.000 . 5.000 4.517 3.930 4.761 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
594 1 35 ALA HA 1 38 ILE H 4.000 . 5.000 4.029 3.346 4.859 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
595 1 36 GLU HA 1 38 ILE H 4.000 . 5.000 3.888 3.577 4.359 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
596 1 40 ASN H 1 42 VAL H 4.000 . 5.000 3.563 3.317 3.886 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
597 1 37 GLU HA 1 40 ASN H 4.000 . 5.000 3.383 3.156 3.942 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
598 1 38 ILE HA 1 41 LEU H 4.000 . 5.000 3.563 3.160 3.950 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
599 1 40 ASN HA 1 42 VAL H 4.000 . 5.000 4.628 4.070 4.991 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
600 1 42 VAL HA 1 44 MET H 4.000 . 5.000 3.625 3.251 4.035 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
601 1 46 VAL HA 1 48 ARG H 4.000 . 5.000 4.050 3.858 4.335 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
602 1 46 VAL QG 1 48 ARG H 2.500 . 3.700 2.586 1.768 3.125 0.032 7 0 "[ . 1 . 2 . 3 . 4]" 1
603 1 46 VAL HB 1 48 ARG H 2.500 . 2.700 2.867 2.499 4.657 1.957 12 2 "[ . - 1 + . 2 . 3 . 4]" 1
604 1 52 LEU HA 1 54 THR H 4.000 . 5.000 3.841 3.284 4.746 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
605 1 50 VAL MG1 1 54 THR H 3.000 . 4.500 3.643 3.119 5.005 0.505 8 1 "[ . + 1 . 2 . 3 . 4]" 1
606 1 57 MET H 1 60 MET QB 4.000 . 5.000 4.328 3.291 5.508 0.508 24 1 "[ . 1 . 2 +. 3 . 4]" 1
607 1 57 MET H 1 60 MET QG 4.000 . 5.000 4.741 3.223 6.010 1.010 24 7 "[ . 1* **. * - +. 3 * . 4]" 1
608 1 59 ASP H 1 61 VAL H 4.000 . 5.000 4.381 3.591 5.011 0.011 17 0 "[ . 1 . 2 . 3 . 4]" 1
609 1 57 MET HB3 1 59 ASP H 4.000 . 5.000 2.605 2.082 4.194 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
610 1 57 MET HB2 1 59 ASP H 4.000 . 5.000 3.479 2.519 4.748 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
611 1 57 MET HB2 1 60 MET H 4.000 . 5.000 3.874 2.938 4.886 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
612 1 58 PRO HA 1 61 VAL H 4.000 . 5.000 4.085 2.936 5.272 0.272 17 0 "[ . 1 . 2 . 3 . 4]" 1
613 1 59 ASP HA 1 61 VAL H 4.000 . 5.000 4.078 3.665 4.732 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
614 1 61 VAL HB 1 64 TYR H 4.000 . 5.000 4.937 4.539 5.017 0.017 39 0 "[ . 1 . 2 . 3 . 4]" 1
615 1 61 VAL MG1 1 64 TYR H 3.000 . 4.500 3.195 2.538 3.862 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
616 1 65 GLU HA 1 67 GLY H 4.000 . 5.000 4.805 3.965 5.024 0.024 9 0 "[ . 1 . 2 . 3 . 4]" 1
617 1 4 ALA H 1 27 VAL HA 4.000 . 5.000 4.652 3.611 5.001 0.001 31 0 "[ . 1 . 2 . 3 . 4]" 1
618 1 4 ALA H 1 27 VAL MG2 3.000 . 4.500 3.383 2.696 4.271 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
619 1 5 SER H 1 27 VAL HA 3.000 . 3.500 2.811 2.118 3.522 0.022 8 0 "[ . 1 . 2 . 3 . 4]" 1
620 1 5 SER H 1 28 VAL H 4.000 . 5.000 3.425 2.825 4.376 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
621 1 5 SER H 1 25 ALA HA 4.000 . 5.000 4.333 3.500 4.928 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
622 1 5 SER H 1 27 VAL MG2 3.000 . 4.500 3.858 3.221 4.395 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
623 1 5 SER H 1 26 GLU HB3 4.000 . 5.000 4.607 3.712 5.005 0.005 27 0 "[ . 1 . 2 . 3 . 4]" 1
624 1 7 VAL H 1 24 LYS H 3.000 . 3.500 3.219 1.959 4.076 0.576 14 1 "[ . 1 +. 2 . 3 . 4]" 1
625 1 7 VAL H 1 26 GLU H 4.000 . 5.000 3.262 2.686 3.996 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
626 1 7 VAL H 1 25 ALA HA 4.000 . 5.000 3.671 3.072 4.532 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
627 1 8 ALA H 1 54 THR H 4.000 . 5.000 3.336 2.327 3.837 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
628 1 8 ALA H 1 55 THR HA 3.000 . 3.500 3.892 3.442 4.342 0.842 20 13 "[ .* **** . +* .** *3* .* - 4]" 1
629 1 8 ALA H 1 54 THR HB 4.000 . 5.000 3.700 2.018 5.009 0.009 34 0 "[ . 1 . 2 . 3 . 4]" 1
630 1 8 ALA H 1 50 VAL MG1 4.000 . 6.000 4.359 3.707 5.026 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
631 1 9 ASN H 1 23 MET HA 4.000 . 5.000 3.860 2.454 5.005 0.005 27 0 "[ . 1 . 2 . 3 . 4]" 1
632 1 10 GLN H 1 52 LEU HA 4.000 . 5.000 4.810 4.346 5.013 0.013 32 0 "[ . 1 . 2 . 3 . 4]" 1
633 1 10 GLN H 1 52 LEU HG 4.000 . 5.000 4.706 4.216 5.011 0.011 27 0 "[ . 1 . 2 . 3 . 4]" 1
634 1 10 GLN H 1 22 MET HA 4.000 . 5.000 4.433 3.260 5.235 0.235 13 0 "[ . 1 . 2 . 3 . 4]" 1
635 1 11 LEU H 1 52 LEU MD2 3.000 . 4.500 3.648 2.578 4.670 0.170 13 0 "[ . 1 . 2 . 3 . 4]" 1
636 1 11 LEU H 1 52 LEU HG 3.000 . 3.500 2.442 1.856 3.469 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
637 1 12 ILE H 1 50 VAL HB 3.000 . 3.500 3.089 2.014 3.921 0.421 5 0 "[ . 1 . 2 . 3 . 4]" 1
638 1 12 ILE H 1 51 PRO HA 4.000 . 5.000 4.218 3.313 4.671 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
639 1 15 ASN H 1 46 VAL QG 3.000 . 4.500 2.796 1.878 3.449 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
640 1 16 THR H 1 45 GLN QG 4.000 . 5.000 3.613 2.315 4.639 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
641 1 16 THR H 1 46 VAL QG 2.500 . 3.700 3.098 1.788 4.832 1.132 37 3 "[ . 1 . * 2 - . 3 . + 4]" 1
642 1 17 ALA H 1 45 GLN HA 4.000 . 5.000 4.371 3.873 4.738 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
643 1 18 LEU H 1 44 MET H 4.000 . 5.000 3.014 2.237 4.171 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
644 1 18 LEU H 1 45 GLN HA 4.000 . 5.000 4.010 3.158 4.672 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
645 1 20 LEU H 1 42 VAL MG1 4.000 . 6.000 3.146 2.125 3.875 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
646 1 8 ALA HA 1 24 LYS H 4.000 . 5.000 3.676 2.624 4.943 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
647 1 6 VAL HA 1 24 LYS H 4.000 . 5.000 4.140 2.895 4.898 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
648 1 6 VAL MG1 1 24 LYS H 3.000 . 4.500 3.432 2.075 4.426 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
649 1 4 ALA MB 1 26 GLU H 3.000 . 4.500 3.796 3.160 4.380 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
650 1 4 ALA HA 1 26 GLU H 4.000 . 5.000 4.761 3.974 5.010 0.010 3 0 "[ . 1 . 2 . 3 . 4]" 1
651 1 6 VAL HA 1 26 GLU H 4.000 . 5.000 3.498 2.557 4.236 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
652 1 7 VAL MG2 1 26 GLU H 3.000 . 4.500 2.686 1.994 3.373 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
653 1 5 SER QB 1 26 GLU H 4.000 . 5.500 4.541 3.755 4.898 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
654 1 4 ALA HA 1 27 VAL H 4.000 . 5.000 3.878 3.232 4.252 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
655 1 4 ALA MB 1 27 VAL H 4.000 . 6.000 3.699 3.006 4.463 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
656 1 4 ALA HA 1 28 VAL H 4.000 . 5.000 4.136 3.521 4.759 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
657 1 5 SER QB 1 32 GLY H 4.000 . 5.500 3.615 1.997 4.907 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
658 1 32 GLY H 1 55 THR MG 4.000 . 6.000 3.702 1.831 4.996 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
659 1 5 SER HA 1 35 ALA H 2.500 . 3.700 4.354 3.862 4.858 1.158 27 27 "[* **** **** ** * **** * +**** * ** *-]" 1
660 1 41 LEU H 1 65 GLU HB2 4.000 . 5.000 4.852 4.363 5.013 0.013 16 0 "[ . 1 . 2 . 3 . 4]" 1
661 1 18 LEU H 1 43 GLY H 4.000 . 5.000 2.964 2.227 4.636 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
662 1 18 LEU QB 1 43 GLY H 4.000 . 5.500 3.422 2.258 4.902 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
663 1 17 ALA MB 1 43 GLY H 4.000 . 6.000 3.739 2.916 4.544 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
664 1 18 LEU MD1 1 44 MET H 4.000 . 6.000 3.793 2.307 4.718 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
665 1 18 LEU HG 1 44 MET H 4.000 . 5.000 4.311 2.555 5.007 0.007 21 0 "[ . 1 . 2 . 3 . 4]" 1
666 1 17 ALA HA 1 46 VAL H 4.000 . 5.000 4.862 3.748 5.016 0.016 26 0 "[ . 1 . 2 . 3 . 4]" 1
667 1 15 ASN HA 1 46 VAL H 4.000 . 5.000 4.215 2.701 5.008 0.008 40 0 "[ . 1 . 2 . 3 . 4]" 1
668 1 47 ASN H 1 61 VAL HA 3.000 . 3.500 3.798 3.187 4.529 1.029 26 10 "[ . ** . * * *+ 3* **. -]" 1
669 1 47 ASN H 1 60 MET HA 4.000 . 5.000 2.955 2.173 3.869 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
670 1 14 ILE HA 1 48 ARG H 4.000 . 5.000 4.275 3.099 4.986 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
671 1 14 ILE MG 1 48 ARG H 3.000 . 4.500 2.405 1.861 2.859 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
672 1 14 ILE MG 1 49 ALA H 4.000 . 6.000 3.183 1.750 4.259 0.050 6 0 "[ . 1 . 2 . 3 . 4]" 1
673 1 11 LEU HA 1 52 LEU H 4.000 . 5.000 3.689 1.804 4.317 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
674 1 11 LEU MD1 1 52 LEU H 3.000 . 4.500 3.725 2.325 5.003 0.503 31 1 "[ . 1 . 2 . 3+ . 4]" 1
675 1 11 LEU QB 1 52 LEU H 3.000 . 4.000 3.029 1.887 3.645 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
676 1 8 ALA MB 1 53 GLY H 3.000 . 4.500 3.952 3.450 4.245 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
677 1 7 VAL MG1 1 53 GLY H 4.000 . 6.000 4.107 3.807 4.483 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
678 1 9 ASN HA 1 53 GLY H 4.000 . 5.000 2.511 1.876 3.301 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
679 1 8 ALA MB 1 54 THR H 2.500 . 3.700 2.525 1.863 3.074 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
680 1 7 VAL MG1 1 54 THR H 4.000 . 6.000 2.955 2.510 3.453 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
681 1 7 VAL MG1 1 55 THR H 4.000 . 6.000 2.894 2.468 3.641 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
682 1 7 VAL HA 1 56 LEU H 4.000 . 5.000 3.063 2.408 3.828 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
683 1 7 VAL MG2 1 56 LEU H 4.000 . 6.000 3.431 2.574 4.066 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
684 1 46 VAL HA 1 62 LYS H 4.000 . 5.000 3.102 2.230 3.877 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
685 1 47 ASN H 1 62 LYS H 4.000 . 5.000 3.976 2.966 5.002 0.002 26 0 "[ . 1 . 2 . 3 . 4]" 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 44
_Distance_constraint_stats_list.Viol_count 281
_Distance_constraint_stats_list.Viol_total 4162.833
_Distance_constraint_stats_list.Viol_max 1.730
_Distance_constraint_stats_list.Viol_rms 0.2126
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0591
_Distance_constraint_stats_list.Viol_average_violations_only 0.3704
_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 5 SER 0.015 0.011 4 0 "[ . 1 . 2 . 3 . 4]"
1 6 VAL 0.116 0.023 24 0 "[ . 1 . 2 . 3 . 4]"
1 7 VAL 40.662 1.353 1 22 "[+* -* * 1 ***.* ** **. *** * ** ***]"
1 8 ALA 0.081 0.014 20 0 "[ . 1 . 2 . 3 . 4]"
1 9 ASN 45.011 1.730 3 22 "[* +*.*** 1 ***. ** **. **** * **-* 4]"
1 12 ILE 0.242 0.076 9 0 "[ . 1 . 2 . 3 . 4]"
1 15 ASN 0.289 0.041 15 0 "[ . 1 . 2 . 3 . 4]"
1 18 LEU 0.039 0.009 20 0 "[ . 1 . 2 . 3 . 4]"
1 19 THR 0.002 0.002 12 0 "[ . 1 . 2 . 3 . 4]"
1 22 MET 45.013 1.730 3 22 "[* +*.*** 1 ***. ** **. **** * **-* 4]"
1 24 LYS 40.662 1.353 1 22 "[+* -* * 1 ***.* ** **. *** * ** ***]"
1 26 GLU 0.019 0.011 4 0 "[ . 1 . 2 . 3 . 4]"
1 28 VAL 0.005 0.005 22 0 "[ . 1 . 2 . 3 . 4]"
1 33 ILE 0.579 0.050 25 0 "[ . 1 . 2 . 3 . 4]"
1 37 GLU 0.178 0.039 22 0 "[ . 1 . 2 . 3 . 4]"
1 38 ILE 0.045 0.021 28 0 "[ . 1 . 2 . 3 . 4]"
1 40 ASN 0.178 0.039 22 0 "[ . 1 . 2 . 3 . 4]"
1 41 LEU 0.011 0.008 31 0 "[ . 1 . 2 . 3 . 4]"
1 42 VAL 0.045 0.021 28 0 "[ . 1 . 2 . 3 . 4]"
1 43 GLY 0.022 0.007 38 0 "[ . 1 . 2 . 3 . 4]"
1 44 MET 0.027 0.009 20 0 "[ . 1 . 2 . 3 . 4]"
1 46 VAL 0.289 0.041 15 0 "[ . 1 . 2 . 3 . 4]"
1 47 ASN 16.866 1.106 26 10 "[ . * * **- .+ 3* ** *4]"
1 50 VAL 0.242 0.076 9 0 "[ . 1 . 2 . 3 . 4]"
1 53 GLY 0.025 0.010 10 0 "[ . 1 . 2 . 3 . 4]"
1 54 THR 0.056 0.014 20 0 "[ . 1 . 2 . 3 . 4]"
1 56 LEU 0.555 0.050 25 0 "[ . 1 . 2 . 3 . 4]"
1 60 MET 16.866 1.106 26 10 "[ . * * **- .+ 3* ** *4]"
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 5 SER N 1 26 GLU O 2.800 2.300 3.300 2.783 2.441 3.163 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
2 1 5 SER H 1 26 GLU O 1.800 . 2.300 1.899 1.481 2.311 0.011 4 0 "[ . 1 . 2 . 3 . 4]" 2
3 1 5 SER O 1 26 GLU N 2.800 2.300 3.300 2.875 2.436 3.304 0.004 40 0 "[ . 1 . 2 . 3 . 4]" 2
4 1 5 SER O 1 26 GLU H 1.800 . 3.800 2.062 1.643 2.617 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
5 1 6 VAL N 1 33 ILE O 2.800 2.300 3.300 3.104 2.651 3.281 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
6 1 6 VAL H 1 33 ILE O 1.800 . 2.300 2.165 1.678 2.323 0.023 24 0 "[ . 1 . 2 . 3 . 4]" 2
7 1 6 VAL O 1 56 LEU N 2.800 2.300 3.300 2.896 2.441 3.224 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
8 1 6 VAL O 1 56 LEU H 1.800 . 2.300 2.107 1.679 2.318 0.018 28 0 "[ . 1 . 2 . 3 . 4]" 2
9 1 7 VAL N 1 24 LYS O 2.800 2.300 3.300 2.995 2.676 3.256 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
10 1 7 VAL H 1 24 LYS O 1.800 . 2.300 2.091 1.800 2.311 0.011 16 0 "[ . 1 . 2 . 3 . 4]" 2
11 1 7 VAL O 1 24 LYS N 2.800 2.300 3.300 3.710 2.853 4.495 1.195 1 17 "[+* -. * 1 * *.* ** **. *** * * *4]" 2
12 1 7 VAL O 1 24 LYS H 1.800 . 2.300 2.838 1.891 3.653 1.353 1 22 "[+* ** * 1 *-*.* ** **. *** * ** ***]" 2
13 1 8 ALA N 1 54 THR O 2.800 2.300 3.300 2.911 2.426 3.220 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
14 1 8 ALA H 1 54 THR O 1.800 . 2.300 2.104 1.590 2.314 0.014 20 0 "[ . 1 . 2 . 3 . 4]" 2
15 1 8 ALA O 1 53 GLY N 2.800 2.300 3.300 2.538 2.428 2.738 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
16 1 8 ALA O 1 53 GLY H 1.800 . 2.300 2.182 1.785 2.310 0.010 10 0 "[ . 1 . 2 . 3 . 4]" 2
17 1 9 ASN N 1 22 MET O 2.800 2.300 3.300 3.755 2.834 4.844 1.544 1 14 "[+ * .- * 1 * *. 2* *. ** * * .* * 4]" 2
18 1 9 ASN H 1 22 MET O 1.800 . 2.300 2.904 1.883 4.030 1.730 3 22 "[* +*.*** 1 ***. ** **. **** * **-* 4]" 2
19 1 12 ILE O 1 50 VAL N 2.800 2.300 3.300 3.001 2.416 3.328 0.028 39 0 "[ . 1 . 2 . 3 . 4]" 2
20 1 12 ILE O 1 50 VAL H 1.800 . 2.800 2.113 1.552 2.519 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
21 1 12 ILE N 1 50 VAL O 2.800 2.300 3.300 2.871 2.430 3.274 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
22 1 12 ILE H 1 50 VAL O 1.800 . 2.300 2.048 1.551 2.376 0.076 9 0 "[ . 1 . 2 . 3 . 4]" 2
23 1 15 ASN N 1 46 VAL O 2.800 2.300 3.300 3.114 2.472 3.301 0.001 26 0 "[ . 1 . 2 . 3 . 4]" 2
24 1 15 ASN H 1 46 VAL O 1.800 . 2.300 2.219 1.820 2.341 0.041 15 0 "[ . 1 . 2 . 3 . 4]" 2
25 1 18 LEU N 1 44 MET O 2.800 2.300 3.300 3.090 2.704 3.309 0.009 20 0 "[ . 1 . 2 . 3 . 4]" 2
26 1 18 LEU H 1 44 MET O 1.800 . 2.800 2.395 1.762 2.804 0.004 6 0 "[ . 1 . 2 . 3 . 4]" 2
27 1 18 LEU O 1 43 GLY N 2.800 2.300 3.300 2.849 2.433 3.145 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
28 1 18 LEU O 1 43 GLY H 1.800 . 2.300 2.056 1.581 2.307 0.007 38 0 "[ . 1 . 2 . 3 . 4]" 2
29 1 19 THR O 1 22 MET N 2.800 2.300 3.800 3.073 2.455 3.570 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
30 1 19 THR O 1 22 MET H 1.800 . 2.800 2.304 1.611 2.802 0.002 12 0 "[ . 1 . 2 . 3 . 4]" 2
31 1 26 GLU O 1 28 VAL N 2.800 2.300 3.300 3.102 2.629 3.305 0.005 22 0 "[ . 1 . 2 . 3 . 4]" 2
32 1 26 GLU O 1 28 VAL H 1.800 . 2.800 2.418 1.816 2.774 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
33 1 33 ILE N 1 56 LEU O 2.800 2.300 3.300 3.067 2.845 3.288 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
34 1 33 ILE H 1 56 LEU O 1.800 . 2.300 2.302 2.119 2.350 0.050 25 0 "[ . 1 . 2 . 3 . 4]" 2
35 1 37 GLU O 1 40 ASN N 2.800 2.300 3.300 2.783 2.426 3.225 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
36 1 37 GLU O 1 40 ASN H 1.800 . 2.300 1.938 1.538 2.339 0.039 22 0 "[ . 1 . 2 . 3 . 4]" 2
37 1 37 GLU O 1 41 LEU N 2.800 2.300 3.300 2.527 2.411 2.894 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
38 1 37 GLU O 1 41 LEU H 1.800 . 2.300 1.629 1.456 2.131 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
39 1 38 ILE O 1 42 VAL N 2.800 2.300 3.300 3.098 2.847 3.270 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
40 1 38 ILE O 1 42 VAL H 1.800 . 2.300 2.191 1.927 2.321 0.021 28 0 "[ . 1 . 2 . 3 . 4]" 2
41 1 41 LEU O 1 44 MET N 2.800 2.300 3.300 2.817 2.519 3.122 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
42 1 41 LEU O 1 44 MET H 1.800 . 2.300 2.113 1.721 2.308 0.008 31 0 "[ . 1 . 2 . 3 . 4]" 2
43 1 47 ASN N 1 60 MET O 2.800 2.300 3.300 3.137 2.423 4.047 0.747 26 5 "[ . 1 * * - .+ 3 *. 4]" 2
44 1 47 ASN H 1 60 MET O 1.800 . 2.300 2.315 1.483 3.406 1.106 26 10 "[ . * * *** .+ 3- ** *4]" 2
stop_
save_
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