NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
566526 |
2mc3   |
17324 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mc3
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 1286
_Distance_constraint_stats_list.Viol_count 2818
_Distance_constraint_stats_list.Viol_total 16833.102
_Distance_constraint_stats_list.Viol_max 1.730
_Distance_constraint_stats_list.Viol_rms 0.1378
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0327
_Distance_constraint_stats_list.Viol_average_violations_only 0.2987
_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 9 TYR 1.052 0.357 12 0 "[ . 1 . 2]"
1 10 TRP 42.025 0.854 9 20 [********+*****-*****]
1 11 PRO 9.392 0.429 14 0 "[ . 1 . 2]"
1 12 ALA 8.803 0.595 19 8 "[- * ** .***+2]"
1 13 ARG 2.852 0.243 10 0 "[ . 1 . 2]"
1 14 HIS 2.395 0.223 18 0 "[ . 1 . 2]"
1 15 SER 2.415 0.223 18 0 "[ . 1 . 2]"
1 16 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ALA 17.785 0.741 20 20 [***-***************+]
1 18 ARG 14.484 0.630 15 2 "[ - . 1 + 2]"
1 19 VAL 24.462 0.630 15 20 [**************+*****]
1 20 ILE 53.334 0.575 3 20 [**+***********-*****]
1 21 LEU 15.563 0.380 15 0 "[ . 1 . 2]"
1 22 LEU 25.089 0.402 3 0 "[ . 1 . 2]"
1 23 VAL 25.877 0.373 14 0 "[ . 1 . 2]"
1 24 LEU 36.156 1.307 8 20 [*******+***-********]
1 25 TYR 56.293 1.307 8 20 [*******+***-********]
1 26 ARG 14.273 0.588 16 2 "[ . -1 .+ 2]"
1 27 GLU 39.128 1.307 16 20 [*****-*********+****]
1 28 HIS 24.900 0.500 16 1 "[ . 1 .+ 2]"
1 29 LEU 44.384 1.730 13 20 [************+**-****]
1 30 ASN 49.206 1.730 13 20 [************+***-***]
1 31 PRO 9.598 0.579 2 5 "[ + *- 1 . * *]"
1 32 ASN 21.233 1.027 9 14 "[*****- +*** .* ***]"
1 33 GLY 14.472 1.027 9 13 "[*-**.* +*** .* ***]"
1 34 HIS 6.743 0.609 18 6 "[* *** 1 -. + 2]"
1 35 HIS 0.714 0.177 6 0 "[ . 1 . 2]"
1 36 PHE 40.863 0.880 13 20 [***********-+*******]
1 37 LEU 29.839 0.880 13 20 [************+-******]
1 38 THR 20.276 0.610 10 20 [-********+**********]
1 39 LYS 23.714 1.337 12 3 "[ * 1-+ . 2]"
1 40 GLU 7.374 0.567 16 5 "[- .* *1 .+ *]"
1 41 GLU 0.124 0.059 7 0 "[ . 1 . 2]"
1 42 LEU 4.001 0.204 14 0 "[ . 1 . 2]"
1 43 LEU 22.189 1.337 12 20 [****-******+********]
1 44 GLN 16.557 0.960 14 20 [**********-**+******]
1 45 ARG 3.306 0.339 13 0 "[ . 1 . 2]"
1 46 CYS 8.886 0.641 14 2 "[ -. 1 +. 2]"
1 47 ALA 18.633 0.641 14 18 "[******** *-**+**** *]"
1 48 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LYS 7.070 0.369 17 0 "[ . 1 . 2]"
1 50 SER 0.045 0.023 17 0 "[ . 1 . 2]"
1 51 PRO 10.320 0.634 12 17 "[-******* **+* **** *]"
1 52 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 VAL 6.810 0.588 10 1 "[ . + . 2]"
1 54 ALA 4.666 0.588 10 2 "[ . + -. 2]"
1 55 PRO 1.201 0.500 14 1 "[ . 1 +. 2]"
1 57 SER 0.437 0.111 14 0 "[ . 1 . 2]"
1 58 ALA 7.120 0.562 4 5 "[ +.** 1* -. 2]"
1 59 PRO 15.238 0.562 4 5 "[ +.** 1* -. 2]"
1 60 PRO 2.391 0.490 20 0 "[ . 1 . 2]"
1 61 TRP 11.427 0.522 3 4 "[- + . * *1 . 2]"
1 62 PRO 8.528 0.522 3 4 "[- + . * *1 . 2]"
1 63 ALA 15.037 0.741 20 20 [***-***************+]
1 64 LEU 11.816 0.700 9 8 "[ * ** -+1 * . * *]"
1 65 ARG 13.334 0.700 9 8 "[ * ** -+1 * . * *]"
1 66 SER 1.962 0.442 14 0 "[ . 1 . 2]"
1 67 LEU 16.269 0.379 2 0 "[ . 1 . 2]"
1 68 LEU 44.308 0.871 12 20 [********-**+********]
1 69 HIS 25.338 0.871 12 20 [********-**+********]
1 70 ARG 0.770 0.147 12 0 "[ . 1 . 2]"
1 71 ASN 29.030 1.088 13 19 "[****** *****+*****-*]"
1 72 LEU 22.365 1.088 13 19 "[****** *****+*****-*]"
1 73 VAL 17.286 0.559 12 2 "[ . 1 + . -]"
1 74 LEU 37.249 1.007 4 20 [***+**************-*]
1 75 ARG 60.897 1.419 13 20 [************+***-***]
1 76 THR 45.532 1.419 13 20 [************+***-***]
1 77 HIS 18.926 0.961 12 20 [-**********+********]
1 78 GLN 19.305 0.602 6 20 [-****+**************]
1 79 PRO 30.465 1.352 2 20 [*+******-***********]
1 80 ALA 35.842 1.352 2 20 [*+****************-*]
1 81 ARG 12.679 1.327 19 10 "[* * . * 1** *-* +*]"
1 82 TYR 12.950 0.712 12 1 "[ . 1 + . 2]"
1 83 SER 0.144 0.072 7 0 "[ . 1 . 2]"
1 84 LEU 3.611 0.324 18 0 "[ . 1 . 2]"
1 85 THR 26.125 1.007 4 20 [***+-***************]
1 86 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 GLU 0.747 0.100 16 0 "[ . 1 . 2]"
1 88 GLY 4.608 0.281 9 0 "[ . 1 . 2]"
1 89 LEU 15.177 1.004 16 18 "[****- ********.+****]"
1 90 GLU 9.863 0.324 18 0 "[ . 1 . 2]"
1 91 LEU 6.174 0.562 9 5 "[ . *+** - 2]"
1 92 ALA 3.598 0.231 13 0 "[ . 1 . 2]"
1 93 GLN 4.230 0.449 6 0 "[ . 1 . 2]"
1 94 LYS 8.539 0.287 8 0 "[ . 1 . 2]"
1 95 LEU 40.551 0.978 8 20 [*******+******-*****]
1 96 ALA 20.059 0.978 8 20 [***-***+************]
1 97 GLU 6.380 0.344 2 0 "[ . 1 . 2]"
1 98 SER 9.462 0.400 20 0 "[ . 1 . 2]"
1 99 GLU 42.472 1.140 10 20 [*********+******-***]
1 100 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 LEU 30.457 1.140 10 20 [***-*****+**********]
1 102 SER 10.869 0.671 10 18 "[*********+** ***- **]"
1 103 LEU 1.128 0.278 1 0 "[ . 1 . 2]"
1 104 LEU 10.936 1.132 18 10 "[ . - ***** .**+*2]"
1 105 ASN 10.915 1.132 18 10 "[ . - ***** .**+*2]"
1 106 VAL 0.541 0.120 15 0 "[ . 1 . 2]"
1 107 GLY 0.142 0.052 19 0 "[ . 1 . 2]"
1 108 ILE 0.543 0.156 8 0 "[ . 1 . 2]"
1 109 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 1 9 TYR HA 1 9 TYR QE 4.000 . 5.000 4.599 4.518 4.652 . 0 0 "[ . 1 . 2]" 1
2 1 9 TYR HA 1 9 TYR QD 4.000 . 5.000 2.718 2.480 2.878 . 0 0 "[ . 1 . 2]" 1
3 1 10 TRP H 1 10 TRP HB3 3.000 . 3.500 2.879 2.699 3.415 . 0 0 "[ . 1 . 2]" 1
4 1 10 TRP H 1 10 TRP HB2 4.000 . 5.000 3.230 2.762 3.389 . 0 0 "[ . 1 . 2]" 1
5 1 10 TRP HB3 1 10 TRP HD1 3.500 . 4.000 2.665 2.592 2.729 . 0 0 "[ . 1 . 2]" 1
6 1 10 TRP HB3 1 10 TRP HE3 3.500 . 4.000 4.116 4.061 4.176 0.176 9 0 "[ . 1 . 2]" 1
7 1 10 TRP HB2 1 10 TRP HE3 4.000 . 5.000 2.581 2.501 2.728 . 0 0 "[ . 1 . 2]" 1
8 1 10 TRP HA 1 10 TRP HD1 3.000 . 3.500 4.199 4.013 4.354 0.854 9 20 [********+*******-***] 1
9 1 10 TRP HA 1 10 TRP HE3 4.500 . 5.500 3.123 2.695 3.388 . 0 0 "[ . 1 . 2]" 1
10 1 11 PRO HA 1 11 PRO QG 2.500 . 3.000 2.999 2.940 3.102 0.102 7 0 "[ . 1 . 2]" 1
11 1 11 PRO HB3 1 11 PRO HD2 4.000 . 5.000 3.885 3.875 3.896 . 0 0 "[ . 1 . 2]" 1
12 1 11 PRO HB2 1 11 PRO HD2 3.000 . 3.500 2.960 2.938 3.001 . 0 0 "[ . 1 . 2]" 1
13 1 11 PRO HA 1 11 PRO HD3 4.000 . 5.000 3.797 3.729 3.879 . 0 0 "[ . 1 . 2]" 1
14 1 12 ALA H 1 12 ALA MB 3.000 . 3.500 2.297 2.217 3.027 . 0 0 "[ . 1 . 2]" 1
15 1 13 ARG HA 1 13 ARG HG3 2.500 . 3.000 2.933 2.525 3.121 0.121 14 0 "[ . 1 . 2]" 1
16 1 13 ARG HB3 1 13 ARG QD 3.500 . 4.000 2.425 2.350 2.895 . 0 0 "[ . 1 . 2]" 1
17 1 13 ARG HB2 1 13 ARG QD 3.500 . 4.000 2.528 2.355 2.959 . 0 0 "[ . 1 . 2]" 1
18 1 13 ARG HA 1 13 ARG QD 3.500 . 4.000 4.047 3.970 4.243 0.243 10 0 "[ . 1 . 2]" 1
19 1 13 ARG HA 1 13 ARG HG2 2.500 . 3.000 2.704 2.506 3.139 0.139 2 0 "[ . 1 . 2]" 1
20 1 14 HIS HB3 1 14 HIS HD2 3.500 . 4.000 3.625 2.753 3.946 . 0 0 "[ . 1 . 2]" 1
21 1 14 HIS HB2 1 14 HIS HD2 3.500 . 4.000 3.085 2.689 3.971 . 0 0 "[ . 1 . 2]" 1
22 1 15 SER H 1 15 SER HB3 4.000 . 5.000 3.350 2.542 3.618 . 0 0 "[ . 1 . 2]" 1
23 1 18 ARG H 1 18 ARG QG 3.000 . 3.500 3.697 2.551 3.905 0.405 14 0 "[ . 1 . 2]" 1
24 1 18 ARG HA 1 18 ARG QG 3.000 . 3.500 2.510 2.163 3.440 . 0 0 "[ . 1 . 2]" 1
25 1 18 ARG QB 1 18 ARG HD2 2.500 . 3.000 2.341 2.238 2.602 . 0 0 "[ . 1 . 2]" 1
26 1 18 ARG QB 1 18 ARG HD3 3.000 . 3.500 2.700 2.348 3.293 . 0 0 "[ . 1 . 2]" 1
27 1 19 VAL H 1 19 VAL HB 3.000 . 3.500 2.462 2.329 2.546 . 0 0 "[ . 1 . 2]" 1
28 1 19 VAL H 1 19 VAL QG 3.000 . 3.500 2.134 1.980 2.338 . 0 0 "[ . 1 . 2]" 1
29 1 19 VAL HA 1 19 VAL QG . . 3.000 2.124 2.113 2.142 . 0 0 "[ . 1 . 2]" 1
30 1 20 ILE H 1 20 ILE HB 4.000 . 5.000 3.613 3.534 3.640 . 0 0 "[ . 1 . 2]" 1
31 1 20 ILE H 1 20 ILE MD 4.000 . 5.000 3.695 3.629 3.958 . 0 0 "[ . 1 . 2]" 1
32 1 20 ILE H 1 20 ILE HG13 3.500 . 4.000 3.352 3.145 3.949 . 0 0 "[ . 1 . 2]" 1
33 1 20 ILE H 1 20 ILE HG12 4.000 . 5.000 2.213 2.026 2.914 . 0 0 "[ . 1 . 2]" 1
34 1 20 ILE H 1 20 ILE MG 4.000 . 5.000 2.074 1.783 2.255 0.017 3 0 "[ . 1 . 2]" 1
35 1 20 ILE HA 1 20 ILE HG13 3.000 . 3.500 3.706 3.526 3.737 0.237 11 0 "[ . 1 . 2]" 1
36 1 20 ILE HA 1 20 ILE QG 3.000 . 3.500 3.320 3.254 3.330 . 0 0 "[ . 1 . 2]" 1
37 1 20 ILE HA 1 20 ILE HG12 4.000 . 5.000 3.751 3.720 3.820 . 0 0 "[ . 1 . 2]" 1
38 1 21 LEU H 1 21 LEU HB3 4.000 . 5.000 3.588 3.563 3.603 . 0 0 "[ . 1 . 2]" 1
39 1 21 LEU H 1 21 LEU HB2 4.000 . 5.000 2.761 2.692 2.833 . 0 0 "[ . 1 . 2]" 1
40 1 21 LEU H 1 21 LEU QD 4.000 . 5.000 2.874 2.710 2.926 . 0 0 "[ . 1 . 2]" 1
41 1 21 LEU HA 1 21 LEU QD 4.000 . 5.000 2.307 2.239 2.622 . 0 0 "[ . 1 . 2]" 1
42 1 22 LEU H 1 22 LEU HB3 3.000 . 3.500 2.326 2.282 2.368 . 0 0 "[ . 1 . 2]" 1
43 1 22 LEU H 1 22 LEU HB2 4.000 . 5.000 2.702 2.645 2.776 . 0 0 "[ . 1 . 2]" 1
44 1 22 LEU H 1 22 LEU QD 4.000 . 5.000 3.724 3.701 3.742 . 0 0 "[ . 1 . 2]" 1
45 1 22 LEU H 1 22 LEU HG 4.000 . 5.000 4.295 4.265 4.339 . 0 0 "[ . 1 . 2]" 1
46 1 22 LEU HA 1 22 LEU QD 3.500 . 4.000 2.073 2.035 2.116 . 0 0 "[ . 1 . 2]" 1
47 1 22 LEU HB2 1 22 LEU QD 3.000 . 3.500 2.107 2.087 2.118 . 0 0 "[ . 1 . 2]" 1
48 1 23 VAL H 1 23 VAL HB 3.500 . 4.000 2.300 2.153 2.409 . 0 0 "[ . 1 . 2]" 1
49 1 23 VAL H 1 23 VAL QG 3.500 . 3.500 2.370 2.207 2.545 . 0 0 "[ . 1 . 2]" 1
50 1 23 VAL HA 1 23 VAL QG 3.000 . 3.500 2.185 2.155 2.223 . 0 0 "[ . 1 . 2]" 1
51 1 24 LEU H 1 24 LEU HB3 4.000 . 5.000 3.553 3.491 3.638 . 0 0 "[ . 1 . 2]" 1
52 1 24 LEU H 1 24 LEU HB2 3.000 . 3.500 2.381 2.189 2.722 . 0 0 "[ . 1 . 2]" 1
53 1 24 LEU H 1 24 LEU QD 3.500 . 3.500 2.218 2.024 2.483 . 0 0 "[ . 1 . 2]" 1
54 1 24 LEU H 1 24 LEU HG 4.000 . 5.000 3.362 2.341 3.836 . 0 0 "[ . 1 . 2]" 1
55 1 24 LEU HA 1 24 LEU QD . . 3.000 1.983 1.936 2.088 . 0 0 "[ . 1 . 2]" 1
56 1 24 LEU HB2 1 24 LEU QD . . 3.000 2.423 2.381 2.471 . 0 0 "[ . 1 . 2]" 1
57 1 24 LEU HA 1 24 LEU HG 4.000 . 5.000 3.638 3.447 3.721 . 0 0 "[ . 1 . 2]" 1
58 1 25 TYR H 1 25 TYR HB3 3.500 . 4.000 2.476 2.417 2.553 . 0 0 "[ . 1 . 2]" 1
59 1 25 TYR H 1 25 TYR HB2 4.000 . 5.000 2.581 2.504 2.659 . 0 0 "[ . 1 . 2]" 1
60 1 25 TYR H 1 25 TYR QD 4.000 . 5.000 4.197 4.180 4.208 . 0 0 "[ . 1 . 2]" 1
61 1 25 TYR HA 1 25 TYR QD 4.000 . 5.000 2.787 2.656 2.921 . 0 0 "[ . 1 . 2]" 1
62 1 26 ARG HA 1 26 ARG QD 4.000 . 5.000 3.943 3.355 4.318 . 0 0 "[ . 1 . 2]" 1
63 1 27 GLU H 1 27 GLU HB2 2.500 . 3.000 2.413 2.191 2.646 . 0 0 "[ . 1 . 2]" 1
64 1 27 GLU H 1 27 GLU HB3 4.000 . 5.000 2.790 2.398 3.492 . 0 0 "[ . 1 . 2]" 1
65 1 27 GLU H 1 27 GLU QG 3.000 . 3.500 3.971 3.010 4.099 0.599 14 15 "[* **-**** **+.** **]" 1
66 1 27 GLU HA 1 27 GLU QG 3.500 . 4.000 2.822 2.334 2.990 . 0 0 "[ . 1 . 2]" 1
67 1 28 HIS H 1 28 HIS HB3 4.000 . 5.000 2.387 2.327 2.429 . 0 0 "[ . 1 . 2]" 1
68 1 28 HIS H 1 28 HIS HB2 3.500 . 4.000 2.901 2.809 2.969 . 0 0 "[ . 1 . 2]" 1
69 1 28 HIS H 1 28 HIS HD2 4.000 . 5.000 4.749 4.630 4.849 . 0 0 "[ . 1 . 2]" 1
70 1 28 HIS HB3 1 28 HIS HD2 3.000 . 3.500 2.895 2.856 2.966 . 0 0 "[ . 1 . 2]" 1
71 1 28 HIS HB2 1 28 HIS HD2 3.000 . 3.500 3.938 3.922 3.959 0.459 8 0 "[ . 1 . 2]" 1
72 1 28 HIS HA 1 28 HIS HD2 4.000 . 5.000 4.223 4.077 4.324 . 0 0 "[ . 1 . 2]" 1
73 1 29 LEU H 1 29 LEU QD 3.500 . 3.500 2.025 1.791 2.744 0.009 15 0 "[ . 1 . 2]" 1
74 1 29 LEU H 1 29 LEU HG 3.500 . 4.000 3.469 2.179 3.828 . 0 0 "[ . 1 . 2]" 1
75 1 29 LEU HA 1 29 LEU QD . . 3.500 2.702 2.547 2.953 . 0 0 "[ . 1 . 2]" 1
76 1 29 LEU HA 1 29 LEU HG 4.000 . 5.000 2.387 2.312 2.724 . 0 0 "[ . 1 . 2]" 1
77 1 30 ASN H 1 30 ASN QD 3.500 . 4.000 4.426 4.301 4.523 0.523 11 2 "[ . 1+ . - 2]" 1
78 1 31 PRO HA 1 31 PRO QD 3.000 . 3.500 3.444 3.392 3.486 . 0 0 "[ . 1 . 2]" 1
79 1 34 HIS H 1 34 HIS HB2 3.500 . 4.000 2.728 2.459 3.650 . 0 0 "[ . 1 . 2]" 1
80 1 34 HIS H 1 34 HIS HB3 4.000 . 5.000 3.720 3.085 4.107 . 0 0 "[ . 1 . 2]" 1
81 1 34 HIS HB2 1 34 HIS HD2 4.000 . 5.000 3.016 2.776 3.929 . 0 0 "[ . 1 . 2]" 1
82 1 34 HIS HA 1 34 HIS HD2 4.000 . 5.000 4.059 3.166 4.358 . 0 0 "[ . 1 . 2]" 1
83 1 35 HIS HB3 1 35 HIS HD2 4.000 . 5.000 3.324 2.752 3.974 . 0 0 "[ . 1 . 2]" 1
84 1 35 HIS HB2 1 35 HIS HD2 3.500 . 4.000 3.480 2.824 3.938 . 0 0 "[ . 1 . 2]" 1
85 1 35 HIS HA 1 35 HIS HD2 4.000 . 5.000 3.570 3.091 4.572 . 0 0 "[ . 1 . 2]" 1
86 1 36 PHE H 1 36 PHE QD 4.000 . 5.000 3.410 3.166 3.632 . 0 0 "[ . 1 . 2]" 1
87 1 36 PHE HA 1 36 PHE QD 3.000 . 3.500 3.725 3.707 3.732 0.232 8 0 "[ . 1 . 2]" 1
88 1 37 LEU H 1 37 LEU HB2 4.000 . 5.000 2.687 2.574 2.783 . 0 0 "[ . 1 . 2]" 1
89 1 37 LEU H 1 37 LEU HB3 4.000 . 5.000 3.724 3.627 3.797 . 0 0 "[ . 1 . 2]" 1
90 1 37 LEU H 1 37 LEU MD1 4.000 . 5.000 4.369 4.199 4.558 . 0 0 "[ . 1 . 2]" 1
91 1 37 LEU H 1 37 LEU MD2 3.500 . 4.000 4.168 4.060 4.382 0.382 7 0 "[ . 1 . 2]" 1
92 1 37 LEU HA 1 37 LEU MD1 3.500 . 4.000 3.821 3.787 3.849 . 0 0 "[ . 1 . 2]" 1
93 1 37 LEU HA 1 37 LEU MD2 4.000 . 5.000 1.949 1.883 2.014 . 0 0 "[ . 1 . 2]" 1
94 1 37 LEU HA 1 37 LEU HG 4.000 . 5.000 2.857 2.613 2.954 . 0 0 "[ . 1 . 2]" 1
95 1 37 LEU HB2 1 37 LEU MD1 2.500 . 3.000 2.312 2.286 2.352 . 0 0 "[ . 1 . 2]" 1
96 1 38 THR H 1 38 THR HB 3.000 . 3.500 3.698 3.658 3.742 0.242 11 0 "[ . 1 . 2]" 1
97 1 38 THR H 1 38 THR MG 3.000 . 3.500 2.505 2.308 2.683 . 0 0 "[ . 1 . 2]" 1
98 1 38 THR HA 1 38 THR MG 3.500 . 4.000 2.379 2.335 2.401 . 0 0 "[ . 1 . 2]" 1
99 1 39 LYS H 1 39 LYS HB2 3.500 . 4.000 2.197 2.145 2.309 . 0 0 "[ . 1 . 2]" 1
100 1 39 LYS H 1 39 LYS HB3 2.500 . 3.000 3.055 2.745 3.527 0.527 11 1 "[ . 1+ . 2]" 1
101 1 39 LYS H 1 39 LYS QG 3.000 . 3.500 3.668 2.893 3.925 0.425 16 0 "[ . 1 . 2]" 1
102 1 39 LYS HA 1 39 LYS QD 4.000 . 5.000 2.754 1.980 3.967 . 0 0 "[ . 1 . 2]" 1
103 1 39 LYS HB2 1 39 LYS QD 2.500 . 3.000 3.169 2.383 3.317 0.317 14 0 "[ . 1 . 2]" 1
104 1 39 LYS HB3 1 39 LYS QD 2.500 . 3.000 2.350 2.244 2.448 . 0 0 "[ . 1 . 2]" 1
105 1 39 LYS HB2 1 39 LYS HD3 3.000 . 3.500 3.669 3.042 3.842 0.342 15 0 "[ . 1 . 2]" 1
106 1 39 LYS HB3 1 39 LYS HD3 2.500 . 3.000 2.944 2.508 3.105 0.105 15 0 "[ . 1 . 2]" 1
107 1 39 LYS HB2 1 39 LYS HD2 3.000 . 3.500 3.487 2.489 3.745 0.245 14 0 "[ . 1 . 2]" 1
108 1 39 LYS HB3 1 39 LYS HD2 4.000 . 5.000 2.525 2.318 3.092 . 0 0 "[ . 1 . 2]" 1
109 1 39 LYS HA 1 39 LYS HD3 4.000 . 5.000 2.886 2.003 4.606 . 0 0 "[ . 1 . 2]" 1
110 1 39 LYS HA 1 39 LYS HD2 3.500 . 4.000 3.810 3.120 4.440 0.440 5 0 "[ . 1 . 2]" 1
111 1 39 LYS HA 1 39 LYS QG 3.500 . 4.000 2.350 2.246 2.587 . 0 0 "[ . 1 . 2]" 1
112 1 40 GLU H 1 40 GLU HB3 3.500 . 4.000 3.110 2.535 3.608 . 0 0 "[ . 1 . 2]" 1
113 1 40 GLU H 1 40 GLU HB2 4.000 . 5.000 3.047 2.450 3.605 . 0 0 "[ . 1 . 2]" 1
114 1 40 GLU H 1 40 GLU HG3 4.000 . 5.000 3.392 3.075 3.751 . 0 0 "[ . 1 . 2]" 1
115 1 40 GLU H 1 40 GLU HG2 4.000 . 5.000 2.098 1.897 2.367 . 0 0 "[ . 1 . 2]" 1
116 1 40 GLU HA 1 40 GLU HG3 4.000 . 5.000 3.765 3.748 3.810 . 0 0 "[ . 1 . 2]" 1
117 1 40 GLU HA 1 40 GLU HG2 3.000 . 3.500 3.421 3.083 3.750 0.250 4 0 "[ . 1 . 2]" 1
118 1 41 GLU H 1 41 GLU QB 3.000 . 3.500 2.370 2.315 2.453 . 0 0 "[ . 1 . 2]" 1
119 1 42 LEU H 1 42 LEU HB3 3.000 . 3.500 3.558 3.508 3.624 0.124 20 0 "[ . 1 . 2]" 1
120 1 42 LEU H 1 42 LEU HB2 3.000 . 3.500 2.605 2.266 2.963 . 0 0 "[ . 1 . 2]" 1
121 1 42 LEU H 1 42 LEU QD 3.000 . 3.500 2.796 2.171 3.216 . 0 0 "[ . 1 . 2]" 1
122 1 42 LEU H 1 42 LEU HG 4.000 . 5.000 2.185 1.814 2.601 . 0 0 "[ . 1 . 2]" 1
123 1 42 LEU HA 1 42 LEU QD 3.000 . 3.500 2.107 2.007 2.252 . 0 0 "[ . 1 . 2]" 1
124 1 42 LEU HB3 1 42 LEU QD 2.500 . 3.000 2.111 2.087 2.134 . 0 0 "[ . 1 . 2]" 1
125 1 42 LEU HB2 1 42 LEU QD 3.000 . 3.500 2.269 2.114 2.399 . 0 0 "[ . 1 . 2]" 1
126 1 43 LEU H 1 43 LEU HB2 2.500 . 3.000 2.453 2.225 2.611 . 0 0 "[ . 1 . 2]" 1
127 1 43 LEU H 1 43 LEU HB3 3.000 . 3.500 3.569 3.513 3.594 0.094 4 0 "[ . 1 . 2]" 1
128 1 43 LEU H 1 43 LEU QD 3.000 . 3.500 2.710 1.992 3.126 . 0 0 "[ . 1 . 2]" 1
129 1 43 LEU HA 1 43 LEU QD 3.000 . 3.500 1.967 1.842 2.043 . 0 0 "[ . 1 . 2]" 1
130 1 43 LEU HB2 1 43 LEU QD . . 3.000 2.287 2.257 2.338 . 0 0 "[ . 1 . 2]" 1
131 1 43 LEU HA 1 43 LEU HG 4.000 . 5.000 3.269 2.969 3.687 . 0 0 "[ . 1 . 2]" 1
132 1 44 GLN H 1 44 GLN HG3 4.000 . 5.000 3.265 2.292 4.660 . 0 0 "[ . 1 . 2]" 1
133 1 44 GLN HE22 1 44 GLN HG2 4.000 . 5.000 3.743 3.476 4.058 . 0 0 "[ . 1 . 2]" 1
134 1 44 GLN H 1 44 GLN HG2 4.000 . 5.000 3.910 3.490 4.411 . 0 0 "[ . 1 . 2]" 1
135 1 44 GLN HA 1 44 GLN HG3 4.000 . 5.000 2.945 2.488 3.638 . 0 0 "[ . 1 . 2]" 1
136 1 44 GLN HA 1 44 GLN HG2 4.000 . 5.000 2.785 2.420 3.698 . 0 0 "[ . 1 . 2]" 1
137 1 45 ARG H 1 45 ARG HD3 4.000 . 5.000 4.584 3.422 5.339 0.339 13 0 "[ . 1 . 2]" 1
138 1 45 ARG H 1 45 ARG QG 4.000 . 5.000 2.778 1.744 3.981 0.056 12 0 "[ . 1 . 2]" 1
139 1 45 ARG HA 1 45 ARG HD3 4.000 . 5.000 3.216 2.159 3.782 . 0 0 "[ . 1 . 2]" 1
140 1 45 ARG HA 1 45 ARG HD2 4.000 . 5.000 3.536 3.073 3.981 . 0 0 "[ . 1 . 2]" 1
141 1 45 ARG HA 1 45 ARG HG3 4.000 . 5.000 3.249 2.506 3.838 . 0 0 "[ . 1 . 2]" 1
142 1 45 ARG HA 1 45 ARG HG2 4.000 . 5.000 3.269 2.854 3.658 . 0 0 "[ . 1 . 2]" 1
143 1 46 CYS H 1 46 CYS HB3 4.000 . 5.000 2.629 2.291 3.599 . 0 0 "[ . 1 . 2]" 1
144 1 46 CYS H 1 46 CYS HB2 4.000 . 5.000 2.977 2.456 3.598 . 0 0 "[ . 1 . 2]" 1
145 1 48 GLN H 1 48 GLN QG 4.000 . 5.000 3.286 2.190 4.269 . 0 0 "[ . 1 . 2]" 1
146 1 49 LYS HA 1 49 LYS QD 4.000 . 5.000 3.228 2.401 3.508 . 0 0 "[ . 1 . 2]" 1
147 1 52 ARG HA 1 52 ARG QD 4.500 . 5.500 3.920 2.011 4.243 . 0 0 "[ . 1 . 2]" 1
148 1 53 VAL H 1 53 VAL HB 3.500 . 4.000 3.652 3.599 3.840 . 0 0 "[ . 1 . 2]" 1
149 1 55 PRO HA 1 55 PRO HD3 4.000 . 5.000 3.724 3.526 3.947 . 0 0 "[ . 1 . 2]" 1
150 1 55 PRO HA 1 55 PRO HD2 4.000 . 5.000 3.951 3.922 4.101 . 0 0 "[ . 1 . 2]" 1
151 1 59 PRO HB3 1 59 PRO HD2 3.000 . 3.500 3.892 3.872 3.913 0.413 13 0 "[ . 1 . 2]" 1
152 1 59 PRO HB2 1 59 PRO HD2 3.500 . 4.000 3.055 2.924 4.012 0.012 8 0 "[ . 1 . 2]" 1
153 1 60 PRO HA 1 60 PRO HD3 4.500 . 5.500 3.653 3.212 3.895 . 0 0 "[ . 1 . 2]" 1
154 1 60 PRO HA 1 60 PRO HD2 4.500 . 5.500 3.927 3.887 3.936 . 0 0 "[ . 1 . 2]" 1
155 1 61 TRP HB3 1 61 TRP HE3 4.000 . 5.000 2.507 2.430 3.261 . 0 0 "[ . 1 . 2]" 1
156 1 61 TRP HA 1 61 TRP HD1 3.000 . 3.500 2.729 1.840 3.407 . 0 0 "[ . 1 . 2]" 1
157 1 64 LEU HA 1 64 LEU QD 4.000 . 5.000 2.413 1.823 3.417 . 0 0 "[ . 1 . 2]" 1
158 1 65 ARG H 1 65 ARG QG 4.000 . 5.000 2.026 1.950 2.165 . 0 0 "[ . 1 . 2]" 1
159 1 65 ARG HA 1 65 ARG QD 4.000 . 5.000 4.095 3.995 4.247 . 0 0 "[ . 1 . 2]" 1
160 1 67 LEU H 1 67 LEU QD 4.500 . 5.500 2.310 2.083 2.476 . 0 0 "[ . 1 . 2]" 1
161 1 67 LEU HA 1 67 LEU HG 4.000 . 5.000 2.238 2.174 2.307 . 0 0 "[ . 1 . 2]" 1
162 1 68 LEU H 1 68 LEU HB2 4.000 . 5.000 2.465 2.061 2.601 . 0 0 "[ . 1 . 2]" 1
163 1 68 LEU H 1 68 LEU QD 4.000 . 5.000 3.013 1.810 3.361 . 0 0 "[ . 1 . 2]" 1
164 1 68 LEU H 1 68 LEU HG 4.000 . 5.000 2.610 2.038 4.570 . 0 0 "[ . 1 . 2]" 1
165 1 68 LEU HA 1 68 LEU MD1 4.000 . 5.000 3.552 1.820 3.963 . 0 0 "[ . 1 . 2]" 1
166 1 68 LEU HA 1 68 LEU MD2 4.000 . 5.000 2.327 2.162 2.819 . 0 0 "[ . 1 . 2]" 1
167 1 68 LEU HA 1 68 LEU HG 4.000 . 5.000 3.130 2.962 3.722 . 0 0 "[ . 1 . 2]" 1
168 1 69 HIS HA 1 69 HIS HD2 4.000 . 5.000 4.207 4.151 4.259 . 0 0 "[ . 1 . 2]" 1
169 1 70 ARG H 1 70 ARG HB2 4.000 . 5.000 2.498 2.449 2.534 . 0 0 "[ . 1 . 2]" 1
170 1 70 ARG H 1 70 ARG QD 3.500 . 4.000 3.730 3.290 4.147 0.147 12 0 "[ . 1 . 2]" 1
171 1 70 ARG H 1 70 ARG HG3 4.500 . 5.500 2.887 2.125 3.597 . 0 0 "[ . 1 . 2]" 1
172 1 70 ARG H 1 70 ARG HG2 4.000 . 5.000 2.705 2.062 3.478 . 0 0 "[ . 1 . 2]" 1
173 1 70 ARG HA 1 70 ARG QD 4.500 . 5.500 3.124 2.036 4.214 . 0 0 "[ . 1 . 2]" 1
174 1 71 ASN HA 1 71 ASN HD22 4.000 . 5.000 3.327 3.088 3.620 . 0 0 "[ . 1 . 2]" 1
175 1 71 ASN H 1 71 ASN HD22 4.000 . 5.000 4.443 3.677 5.326 0.326 5 0 "[ . 1 . 2]" 1
176 1 72 LEU H 1 72 LEU QD 4.500 . 5.500 2.517 2.337 2.599 . 0 0 "[ . 1 . 2]" 1
177 1 72 LEU H 1 72 LEU HG 4.000 . 5.000 2.503 2.163 4.008 . 0 0 "[ . 1 . 2]" 1
178 1 72 LEU HA 1 72 LEU QD 4.000 . 5.000 2.232 2.178 2.671 . 0 0 "[ . 1 . 2]" 1
179 1 72 LEU HA 1 72 LEU HG 4.000 . 5.000 3.535 2.485 3.627 . 0 0 "[ . 1 . 2]" 1
180 1 74 LEU H 1 74 LEU HB2 4.000 . 5.000 2.829 2.680 3.028 . 0 0 "[ . 1 . 2]" 1
181 1 74 LEU H 1 74 LEU QD 4.000 . 4.000 3.911 3.869 3.963 . 0 0 "[ . 1 . 2]" 1
182 1 74 LEU H 1 74 LEU HG 4.000 . 5.000 4.589 4.504 4.682 . 0 0 "[ . 1 . 2]" 1
183 1 74 LEU HA 1 74 LEU QD 4.000 . 5.000 2.308 1.999 2.718 . 0 0 "[ . 1 . 2]" 1
184 1 74 LEU HA 1 74 LEU HG 4.000 . 5.000 2.637 2.421 3.006 . 0 0 "[ . 1 . 2]" 1
185 1 75 ARG H 1 75 ARG QG 4.500 . 5.500 2.346 1.985 3.978 . 0 0 "[ . 1 . 2]" 1
186 1 75 ARG HA 1 75 ARG QD 4.500 . 5.500 4.248 4.106 4.372 . 0 0 "[ . 1 . 2]" 1
187 1 75 ARG HA 1 75 ARG QG 3.500 . 4.000 3.210 2.607 3.328 . 0 0 "[ . 1 . 2]" 1
188 1 76 THR H 1 76 THR HB 3.500 . 4.000 3.103 2.730 3.884 . 0 0 "[ . 1 . 2]" 1
189 1 76 THR H 1 76 THR MG 4.500 . 5.500 3.475 2.324 3.913 . 0 0 "[ . 1 . 2]" 1
190 1 77 HIS HA 1 77 HIS HD2 4.000 . 5.000 4.037 3.957 4.275 . 0 0 "[ . 1 . 2]" 1
191 1 78 GLN H 1 78 GLN QG 4.000 . 5.000 3.963 2.823 4.478 . 0 0 "[ . 1 . 2]" 1
192 1 79 PRO HA 1 79 PRO QD 3.500 . 4.000 3.366 3.046 3.493 . 0 0 "[ . 1 . 2]" 1
193 1 80 ALA H 1 80 ALA MB 3.000 . 3.500 2.670 2.207 3.146 . 0 0 "[ . 1 . 2]" 1
194 1 81 ARG H 1 81 ARG HB2 4.000 . 5.000 2.628 2.578 2.809 . 0 0 "[ . 1 . 2]" 1
195 1 81 ARG HB3 1 81 ARG HD2 3.500 . 4.000 3.525 3.385 3.873 . 0 0 "[ . 1 . 2]" 1
196 1 81 ARG HB2 1 81 ARG HD2 3.500 . 4.000 2.592 2.463 3.273 . 0 0 "[ . 1 . 2]" 1
197 1 81 ARG HA 1 81 ARG HD2 4.500 . 5.500 4.747 4.712 5.058 . 0 0 "[ . 1 . 2]" 1
198 1 82 TYR H 1 82 TYR HB3 4.000 . 5.000 3.598 3.572 3.618 . 0 0 "[ . 1 . 2]" 1
199 1 82 TYR H 1 82 TYR QD 4.000 . 5.000 2.909 2.668 3.113 . 0 0 "[ . 1 . 2]" 1
200 1 82 TYR H 1 82 TYR QE 4.000 . 5.000 4.611 4.502 4.738 . 0 0 "[ . 1 . 2]" 1
201 1 82 TYR HA 1 82 TYR QD 4.000 . 5.000 2.440 2.195 2.746 . 0 0 "[ . 1 . 2]" 1
202 1 82 TYR HA 1 82 TYR QE 4.500 . 5.500 4.417 4.335 4.534 . 0 0 "[ . 1 . 2]" 1
203 1 84 LEU H 1 84 LEU HB3 4.000 . 5.000 3.553 3.526 3.582 . 0 0 "[ . 1 . 2]" 1
204 1 84 LEU H 1 84 LEU HB2 4.000 . 5.000 2.323 2.259 2.429 . 0 0 "[ . 1 . 2]" 1
205 1 84 LEU H 1 84 LEU MD1 4.000 . 5.000 3.902 3.830 4.026 . 0 0 "[ . 1 . 2]" 1
206 1 84 LEU H 1 84 LEU MD2 4.000 . 5.000 3.347 2.937 3.508 . 0 0 "[ . 1 . 2]" 1
207 1 84 LEU H 1 84 LEU HG 4.000 . 5.000 2.677 2.490 2.906 . 0 0 "[ . 1 . 2]" 1
208 1 84 LEU HA 1 84 LEU MD1 4.000 . 5.000 3.736 3.687 3.765 . 0 0 "[ . 1 . 2]" 1
209 1 84 LEU HA 1 84 LEU MD2 4.500 . 5.500 1.886 1.840 1.963 . 0 0 "[ . 1 . 2]" 1
210 1 85 THR H 1 85 THR HG1 4.000 . 5.000 2.737 2.169 2.964 . 0 0 "[ . 1 . 2]" 1
211 1 85 THR H 1 85 THR MG 4.500 . 5.500 3.323 3.278 3.414 . 0 0 "[ . 1 . 2]" 1
212 1 86 PRO HA 1 86 PRO HG2 4.000 . 5.000 3.846 3.841 3.855 . 0 0 "[ . 1 . 2]" 1
213 1 87 GLU H 1 87 GLU HG3 4.500 . 5.500 2.876 2.277 3.755 . 0 0 "[ . 1 . 2]" 1
214 1 87 GLU H 1 87 GLU HG2 4.000 . 5.000 3.390 2.231 3.864 . 0 0 "[ . 1 . 2]" 1
215 1 89 LEU H 1 89 LEU HB2 4.000 . 5.000 2.137 2.076 2.357 . 0 0 "[ . 1 . 2]" 1
216 1 89 LEU H 1 89 LEU QD 4.000 . 5.000 3.315 3.199 3.612 . 0 0 "[ . 1 . 2]" 1
217 1 89 LEU HA 1 89 LEU QD 4.000 . 5.000 1.855 1.826 1.877 . 0 0 "[ . 1 . 2]" 1
218 1 90 GLU H 1 90 GLU HG3 4.000 . 5.000 2.223 1.940 3.204 . 0 0 "[ . 1 . 2]" 1
219 1 90 GLU H 1 90 GLU HG2 3.500 . 4.000 3.056 1.988 3.553 . 0 0 "[ . 1 . 2]" 1
220 1 90 GLU HA 1 90 GLU HG2 4.000 . 5.000 2.752 2.477 4.162 . 0 0 "[ . 1 . 2]" 1
221 1 90 GLU HA 1 90 GLU HG3 4.000 . 5.000 3.191 2.906 3.733 . 0 0 "[ . 1 . 2]" 1
222 1 91 LEU H 1 91 LEU HB3 4.000 . 5.000 3.001 2.444 3.493 . 0 0 "[ . 1 . 2]" 1
223 1 91 LEU H 1 91 LEU HB2 3.500 . 4.000 2.199 2.030 2.538 . 0 0 "[ . 1 . 2]" 1
224 1 91 LEU H 1 91 LEU MD1 4.000 . 5.000 4.041 3.685 4.241 . 0 0 "[ . 1 . 2]" 1
225 1 91 LEU H 1 91 LEU MD2 4.000 . 5.000 4.117 3.599 4.251 . 0 0 "[ . 1 . 2]" 1
226 1 91 LEU H 1 91 LEU HG 4.000 . 5.000 3.825 2.626 4.460 . 0 0 "[ . 1 . 2]" 1
227 1 91 LEU HA 1 91 LEU MD1 4.000 . 5.000 3.714 3.546 3.828 . 0 0 "[ . 1 . 2]" 1
228 1 91 LEU HA 1 91 LEU MD2 3.500 . 4.000 2.409 1.908 3.355 . 0 0 "[ . 1 . 2]" 1
229 1 91 LEU HA 1 91 LEU HG 4.000 . 5.000 2.550 2.369 2.980 . 0 0 "[ . 1 . 2]" 1
230 1 93 GLN H 1 93 GLN HB3 4.000 . 5.000 3.432 2.675 3.597 . 0 0 "[ . 1 . 2]" 1
231 1 93 GLN H 1 93 GLN HB2 3.000 . 3.500 2.394 2.209 2.446 . 0 0 "[ . 1 . 2]" 1
232 1 93 GLN HE21 1 93 GLN QG . . 3.000 2.222 2.216 2.245 . 0 0 "[ . 1 . 2]" 1
233 1 93 GLN H 1 93 GLN QG 3.000 . 3.500 2.653 2.289 3.949 0.449 6 0 "[ . 1 . 2]" 1
234 1 93 GLN HA 1 93 GLN QG 2.500 . 3.000 2.392 2.302 2.428 . 0 0 "[ . 1 . 2]" 1
235 1 94 LYS H 1 94 LYS HB3 4.000 . 5.000 3.518 3.505 3.533 . 0 0 "[ . 1 . 2]" 1
236 1 94 LYS H 1 94 LYS HB2 4.000 . 5.000 2.731 2.659 2.864 . 0 0 "[ . 1 . 2]" 1
237 1 94 LYS H 1 94 LYS HG3 4.000 . 5.000 1.824 1.695 3.360 0.105 14 0 "[ . 1 . 2]" 1
238 1 94 LYS H 1 94 LYS HG2 3.500 . 4.000 2.787 1.789 2.935 0.011 17 0 "[ . 1 . 2]" 1
239 1 94 LYS HA 1 94 LYS QE 4.000 . 5.000 4.822 4.298 5.120 0.120 12 0 "[ . 1 . 2]" 1
240 1 94 LYS HA 1 94 LYS HG3 4.000 . 5.000 3.287 3.160 3.878 . 0 0 "[ . 1 . 2]" 1
241 1 95 LEU H 1 95 LEU HB3 4.000 . 5.000 3.500 3.471 3.519 . 0 0 "[ . 1 . 2]" 1
242 1 95 LEU H 1 95 LEU HB2 4.000 . 5.000 2.231 2.177 2.274 . 0 0 "[ . 1 . 2]" 1
243 1 95 LEU H 1 95 LEU MD1 4.000 . 5.000 2.088 1.986 2.208 . 0 0 "[ . 1 . 2]" 1
244 1 95 LEU H 1 95 LEU MD2 3.500 . 4.000 3.710 3.564 3.801 . 0 0 "[ . 1 . 2]" 1
245 1 95 LEU H 1 95 LEU HG 4.000 . 5.000 3.853 3.780 3.987 . 0 0 "[ . 1 . 2]" 1
246 1 95 LEU HA 1 95 LEU MD1 4.000 . 5.000 2.476 2.255 2.572 . 0 0 "[ . 1 . 2]" 1
247 1 95 LEU HA 1 95 LEU MD2 4.000 . 5.000 3.819 3.794 3.843 . 0 0 "[ . 1 . 2]" 1
248 1 95 LEU HA 1 95 LEU HG 4.000 . 5.000 2.558 2.500 2.651 . 0 0 "[ . 1 . 2]" 1
249 1 97 GLU H 1 97 GLU HG3 4.000 . 5.000 1.789 1.755 1.889 0.045 8 0 "[ . 1 . 2]" 1
250 1 97 GLU H 1 97 GLU HG2 4.500 . 5.500 2.929 2.832 3.231 . 0 0 "[ . 1 . 2]" 1
251 1 99 GLU H 1 99 GLU HB3 4.000 . 5.000 3.600 2.220 3.692 . 0 0 "[ . 1 . 2]" 1
252 1 99 GLU H 1 99 GLU HB2 3.000 . 3.500 2.650 2.565 2.935 . 0 0 "[ . 1 . 2]" 1
253 1 99 GLU H 1 99 GLU QG 4.000 . 5.000 2.346 2.168 3.803 . 0 0 "[ . 1 . 2]" 1
254 1 99 GLU HA 1 99 GLU QG . . 3.000 3.042 2.998 3.125 0.125 10 0 "[ . 1 . 2]" 1
255 1 101 LEU H 1 101 LEU QB 3.500 . 4.000 2.996 2.809 3.080 . 0 0 "[ . 1 . 2]" 1
256 1 101 LEU H 1 101 LEU QD 3.500 . 4.000 3.656 2.866 3.785 . 0 0 "[ . 1 . 2]" 1
257 1 103 LEU H 1 103 LEU QB 3.500 . 4.000 2.524 2.394 2.925 . 0 0 "[ . 1 . 2]" 1
258 1 104 LEU H 1 104 LEU QB 3.500 . 4.000 2.391 2.150 2.710 . 0 0 "[ . 1 . 2]" 1
259 1 104 LEU H 1 104 LEU QD 4.000 . 5.000 3.384 2.928 3.798 . 0 0 "[ . 1 . 2]" 1
260 1 104 LEU HA 1 104 LEU QD 4.000 . 4.000 2.073 1.860 2.720 . 0 0 "[ . 1 . 2]" 1
261 1 106 VAL H 1 106 VAL QG 3.500 . 4.000 2.157 1.851 2.674 . 0 0 "[ . 1 . 2]" 1
262 1 108 ILE H 1 108 ILE HB 4.000 . 5.000 3.153 2.454 3.834 . 0 0 "[ . 1 . 2]" 1
263 1 108 ILE H 1 108 ILE MD 4.000 . 5.000 3.080 1.934 4.474 . 0 0 "[ . 1 . 2]" 1
264 1 108 ILE H 1 108 ILE QG 3.500 . 4.000 2.962 1.771 4.156 0.156 8 0 "[ . 1 . 2]" 1
265 1 108 ILE H 1 108 ILE MG 3.500 . 4.000 2.808 1.890 3.774 . 0 0 "[ . 1 . 2]" 1
266 1 108 ILE HA 1 108 ILE MD 4.000 . 5.000 3.022 2.027 3.786 . 0 0 "[ . 1 . 2]" 1
267 1 108 ILE HA 1 108 ILE QG 3.500 . 4.000 2.994 2.348 3.402 . 0 0 "[ . 1 . 2]" 1
268 1 9 TYR HA 1 10 TRP H 4.000 . 5.000 2.227 2.144 3.570 . 0 0 "[ . 1 . 2]" 1
269 1 9 TYR QD 1 10 TRP H 4.000 . 5.000 3.679 2.938 4.041 . 0 0 "[ . 1 . 2]" 1
270 1 10 TRP HA 1 11 PRO QG 3.000 . 3.500 3.892 3.716 3.929 0.429 14 0 "[ . 1 . 2]" 1
271 1 10 TRP HA 1 11 PRO HA 4.000 . 5.000 4.566 4.438 4.587 . 0 0 "[ . 1 . 2]" 1
272 1 10 TRP HA 1 11 PRO HD3 4.000 . 5.000 2.104 1.848 2.170 . 0 0 "[ . 1 . 2]" 1
273 1 10 TRP HA 1 11 PRO HD2 4.000 . 5.000 2.500 2.426 2.780 . 0 0 "[ . 1 . 2]" 1
274 1 11 PRO HA 1 12 ALA H 4.000 . 5.000 2.537 2.377 3.569 . 0 0 "[ . 1 . 2]" 1
275 1 11 PRO HB3 1 12 ALA H 4.000 . 5.000 2.811 2.620 3.498 . 0 0 "[ . 1 . 2]" 1
276 1 11 PRO HB2 1 12 ALA H 4.000 . 5.000 2.873 1.929 3.208 . 0 0 "[ . 1 . 2]" 1
277 1 11 PRO QG 1 12 ALA H 4.000 . 5.000 4.290 3.290 4.471 . 0 0 "[ . 1 . 2]" 1
278 1 12 ALA MB 1 13 ARG HA 4.000 . 5.000 4.141 4.008 4.412 . 0 0 "[ . 1 . 2]" 1
279 1 13 ARG HB3 1 14 HIS HD2 4.000 . 5.000 3.066 1.987 4.563 . 0 0 "[ . 1 . 2]" 1
280 1 13 ARG HB2 1 14 HIS HD2 4.000 . 5.000 3.563 2.209 5.035 0.035 19 0 "[ . 1 . 2]" 1
281 1 14 HIS HA 1 15 SER H 2.500 . 3.000 3.106 2.920 3.223 0.223 18 0 "[ . 1 . 2]" 1
282 1 14 HIS HB2 1 15 SER H 4.500 . 5.500 3.915 3.648 4.495 . 0 0 "[ . 1 . 2]" 1
283 1 17 ALA HA 1 18 ARG H 4.500 . 5.500 3.475 3.450 3.551 . 0 0 "[ . 1 . 2]" 1
284 1 17 ALA H 1 18 ARG H 3.500 . 4.000 2.814 2.650 3.031 . 0 0 "[ . 1 . 2]" 1
285 1 18 ARG HA 1 19 VAL H 4.500 . 5.500 3.531 3.501 3.545 . 0 0 "[ . 1 . 2]" 1
286 1 18 ARG H 1 19 VAL H 4.000 . 5.000 2.475 2.362 2.667 . 0 0 "[ . 1 . 2]" 1
287 1 18 ARG H 1 19 VAL QG 4.000 . 5.000 3.932 3.744 4.185 . 0 0 "[ . 1 . 2]" 1
288 1 18 ARG QB 1 19 VAL HA 3.500 . 4.000 4.001 3.637 4.630 0.630 15 2 "[ - . 1 + 2]" 1
289 1 19 VAL HA 1 20 ILE H 2.500 . 3.000 3.546 3.523 3.566 0.566 11 20 [-*********+*********] 1
290 1 19 VAL HB 1 20 ILE H 4.000 . 5.000 2.767 2.545 2.940 . 0 0 "[ . 1 . 2]" 1
291 1 19 VAL QG 1 20 ILE H 4.000 . 5.000 3.232 3.105 3.335 . 0 0 "[ . 1 . 2]" 1
292 1 19 VAL QG 1 20 ILE HA 3.000 . 3.500 3.301 3.106 3.467 . 0 0 "[ . 1 . 2]" 1
293 1 19 VAL HB 1 20 ILE HA 3.500 . 4.000 4.344 4.231 4.557 0.557 1 2 "[+ . 1 - 2]" 1
294 1 20 ILE HB 1 21 LEU H 3.500 . 4.000 3.362 3.230 3.709 . 0 0 "[ . 1 . 2]" 1
295 1 20 ILE MG 1 21 LEU H 3.000 . 3.500 3.783 3.343 3.849 0.349 15 0 "[ . 1 . 2]" 1
296 1 20 ILE H 1 21 LEU H 3.000 . 3.500 3.038 2.783 3.195 . 0 0 "[ . 1 . 2]" 1
297 1 20 ILE HB 1 21 LEU QD 4.000 . 5.000 4.396 4.043 5.048 0.048 3 0 "[ . 1 . 2]" 1
298 1 20 ILE HG12 1 21 LEU QD 3.500 . 4.000 3.680 3.072 3.799 . 0 0 "[ . 1 . 2]" 1
299 1 20 ILE MG 1 21 LEU HA 4.000 . 5.000 5.363 5.221 5.380 0.380 15 0 "[ . 1 . 2]" 1
300 1 21 LEU HA 1 22 LEU H 4.500 . 5.500 3.482 3.463 3.503 . 0 0 "[ . 1 . 2]" 1
301 1 21 LEU HB3 1 22 LEU H 3.500 . 4.000 4.024 3.964 4.053 0.053 15 0 "[ . 1 . 2]" 1
302 1 21 LEU HB2 1 22 LEU H 3.500 . 4.000 3.017 2.951 3.067 . 0 0 "[ . 1 . 2]" 1
303 1 21 LEU H 1 22 LEU H 3.500 . 4.000 2.984 2.861 3.065 . 0 0 "[ . 1 . 2]" 1
304 1 22 LEU HA 1 23 VAL H 4.000 . 5.000 3.521 3.510 3.534 . 0 0 "[ . 1 . 2]" 1
305 1 22 LEU HB3 1 23 VAL H 4.000 . 5.000 2.466 2.338 2.551 . 0 0 "[ . 1 . 2]" 1
306 1 22 LEU HB2 1 23 VAL H 3.000 . 3.500 3.806 3.714 3.873 0.373 14 0 "[ . 1 . 2]" 1
307 1 22 LEU QD 1 23 VAL H 3.000 . 3.500 3.756 3.706 3.794 0.294 7 0 "[ . 1 . 2]" 1
308 1 22 LEU HG 1 23 VAL H 3.000 . 3.500 3.569 3.471 3.629 0.129 19 0 "[ . 1 . 2]" 1
309 1 22 LEU H 1 23 VAL H 4.000 . 5.000 2.285 2.225 2.362 . 0 0 "[ . 1 . 2]" 1
310 1 22 LEU H 1 23 VAL HB 4.000 . 5.000 4.396 4.331 4.496 . 0 0 "[ . 1 . 2]" 1
311 1 22 LEU HB3 1 23 VAL QG 4.000 . 5.000 4.168 4.099 4.236 . 0 0 "[ . 1 . 2]" 1
312 1 22 LEU HB2 1 23 VAL QG 4.000 . 5.000 5.291 5.241 5.341 0.341 1 0 "[ . 1 . 2]" 1
313 1 23 VAL HA 1 24 LEU H 3.000 . 3.500 3.581 3.552 3.603 0.103 11 0 "[ . 1 . 2]" 1
314 1 23 VAL HB 1 24 LEU H 4.000 . 5.000 3.686 3.609 3.789 . 0 0 "[ . 1 . 2]" 1
315 1 23 VAL QG 1 24 LEU H 2.500 . 3.000 1.932 1.831 2.112 . 0 0 "[ . 1 . 2]" 1
316 1 23 VAL H 1 24 LEU H 4.000 . 5.000 2.712 2.664 2.790 . 0 0 "[ . 1 . 2]" 1
317 1 24 LEU HA 1 25 TYR H 4.000 . 5.000 3.421 3.403 3.436 . 0 0 "[ . 1 . 2]" 1
318 1 24 LEU HB3 1 25 TYR H 4.000 . 5.000 3.760 3.621 4.040 . 0 0 "[ . 1 . 2]" 1
319 1 24 LEU HB2 1 25 TYR H 3.500 . 4.000 3.047 3.002 3.086 . 0 0 "[ . 1 . 2]" 1
320 1 24 LEU QD 1 25 TYR H 4.000 . 5.000 3.965 3.870 4.144 . 0 0 "[ . 1 . 2]" 1
321 1 24 LEU HG 1 25 TYR H 3.500 . 4.000 5.034 4.420 5.307 1.307 8 16 "[** ****+***-*** **2]" 1
322 1 24 LEU H 1 25 TYR H 4.000 . 5.000 2.666 2.511 2.775 . 0 0 "[ . 1 . 2]" 1
323 1 24 LEU H 1 25 TYR HB2 4.000 . 5.000 4.976 4.776 5.120 0.120 11 0 "[ . 1 . 2]" 1
324 1 24 LEU HB3 1 25 TYR HA 3.500 . 4.000 4.270 4.117 4.596 0.596 16 6 "[ - . 1 * .+* **]" 1
325 1 25 TYR HA 1 26 ARG H 3.000 . 3.500 3.593 3.582 3.607 0.107 3 0 "[ . 1 . 2]" 1
326 1 25 TYR HB3 1 26 ARG H 4.000 . 5.000 2.150 2.081 2.287 . 0 0 "[ . 1 . 2]" 1
327 1 25 TYR HB2 1 26 ARG H 4.000 . 5.000 3.660 3.605 3.760 . 0 0 "[ . 1 . 2]" 1
328 1 25 TYR QD 1 26 ARG H 4.000 . 5.000 2.702 2.518 2.910 . 0 0 "[ . 1 . 2]" 1
329 1 25 TYR H 1 26 ARG H 3.500 . 4.000 2.963 2.836 3.048 . 0 0 "[ . 1 . 2]" 1
330 1 25 TYR QD 1 26 ARG HA 4.000 . 5.000 3.152 2.940 3.434 . 0 0 "[ . 1 . 2]" 1
331 1 25 TYR QD 1 26 ARG QG 4.000 . 5.000 4.341 3.937 4.891 . 0 0 "[ . 1 . 2]" 1
332 1 26 ARG HA 1 27 GLU H 4.500 . 5.500 3.578 3.562 3.596 . 0 0 "[ . 1 . 2]" 1
333 1 26 ARG QB 1 27 GLU H 4.500 . 5.500 2.787 2.054 3.320 . 0 0 "[ . 1 . 2]" 1
334 1 26 ARG HD3 1 27 GLU H 4.500 . 5.500 3.445 1.757 5.009 0.043 3 0 "[ . 1 . 2]" 1
335 1 26 ARG HD2 1 27 GLU H 4.000 . 5.000 3.731 2.517 4.951 . 0 0 "[ . 1 . 2]" 1
336 1 26 ARG QG 1 27 GLU H 3.000 . 3.500 2.496 1.653 3.917 0.417 13 0 "[ . 1 . 2]" 1
337 1 26 ARG H 1 27 GLU H 4.000 . 5.000 3.193 3.032 3.353 . 0 0 "[ . 1 . 2]" 1
338 1 27 GLU HA 1 28 HIS H 4.000 . 5.000 3.424 3.402 3.445 . 0 0 "[ . 1 . 2]" 1
339 1 27 GLU HB2 1 28 HIS H 4.000 . 5.000 4.082 3.442 4.177 . 0 0 "[ . 1 . 2]" 1
340 1 27 GLU HB3 1 28 HIS H 2.500 . 3.000 3.160 3.104 3.444 0.444 3 0 "[ . 1 . 2]" 1
341 1 27 GLU QG 1 28 HIS H 4.000 . 5.000 4.199 3.910 4.776 . 0 0 "[ . 1 . 2]" 1
342 1 27 GLU H 1 28 HIS H 4.000 . 5.000 2.857 2.390 3.077 . 0 0 "[ . 1 . 2]" 1
343 1 27 GLU HA 1 28 HIS HA 4.000 . 5.000 4.714 4.685 4.752 . 0 0 "[ . 1 . 2]" 1
344 1 28 HIS HB3 1 29 LEU H 4.000 . 5.000 2.590 2.452 2.657 . 0 0 "[ . 1 . 2]" 1
345 1 28 HIS HB2 1 29 LEU H 4.000 . 5.000 3.923 3.839 3.967 . 0 0 "[ . 1 . 2]" 1
346 1 28 HIS HD2 1 29 LEU H 3.500 . 4.000 3.416 3.072 3.708 . 0 0 "[ . 1 . 2]" 1
347 1 28 HIS H 1 29 LEU QB 4.000 . 5.000 4.112 3.899 4.484 . 0 0 "[ . 1 . 2]" 1
348 1 28 HIS H 1 29 LEU QD 3.000 . 3.500 3.430 3.217 4.000 0.500 16 1 "[ . 1 .+ 2]" 1
349 1 28 HIS H 1 29 LEU H 4.000 . 5.000 2.283 2.161 2.391 . 0 0 "[ . 1 . 2]" 1
350 1 28 HIS HB3 1 29 LEU QD 4.000 . 5.000 2.648 2.318 3.655 . 0 0 "[ . 1 . 2]" 1
351 1 28 HIS HD2 1 29 LEU QD 4.500 . 5.500 2.405 1.980 2.782 . 0 0 "[ . 1 . 2]" 1
352 1 28 HIS HD2 1 29 LEU HG 4.000 . 5.000 3.277 2.059 3.826 . 0 0 "[ . 1 . 2]" 1
353 1 28 HIS HD2 1 29 LEU HA 4.000 . 5.000 3.035 2.790 3.332 . 0 0 "[ . 1 . 2]" 1
354 1 29 LEU HA 1 30 ASN H 3.000 . 3.500 3.238 3.166 3.317 . 0 0 "[ . 1 . 2]" 1
355 1 29 LEU QB 1 30 ASN H 3.000 . 3.500 3.403 3.239 3.536 0.036 9 0 "[ . 1 . 2]" 1
356 1 29 LEU QD 1 30 ASN H 4.000 . 5.000 4.109 3.999 4.399 . 0 0 "[ . 1 . 2]" 1
357 1 29 LEU HG 1 30 ASN H 3.000 . 3.500 5.140 4.575 5.230 1.730 13 20 [********-***+*******] 1
358 1 30 ASN H 1 31 PRO QD 4.000 . 5.000 3.975 3.800 4.035 . 0 0 "[ . 1 . 2]" 1
359 1 30 ASN HA 1 31 PRO QD 4.000 . 5.000 1.931 1.878 2.048 . 0 0 "[ . 1 . 2]" 1
360 1 30 ASN QB 1 31 PRO QD . . 3.500 3.514 3.422 3.611 0.111 6 0 "[ . 1 . 2]" 1
361 1 30 ASN HA 1 31 PRO QG 4.000 . 5.000 3.834 3.787 3.943 . 0 0 "[ . 1 . 2]" 1
362 1 31 PRO HA 1 32 ASN H 3.000 . 3.500 3.516 3.461 3.551 0.051 13 0 "[ . 1 . 2]" 1
363 1 31 PRO QB 1 32 ASN H 3.500 . 4.000 2.737 2.402 3.031 . 0 0 "[ . 1 . 2]" 1
364 1 31 PRO QB 1 32 ASN HA 3.000 . 3.500 3.935 3.788 4.079 0.579 2 5 "[ + *- 1 . * *]" 1
365 1 32 ASN HA 1 33 GLY H 4.000 . 5.000 3.065 2.695 3.387 . 0 0 "[ . 1 . 2]" 1
366 1 32 ASN QB 1 33 GLY H . . 3.000 3.594 3.027 4.027 1.027 9 13 "[*-**.* +*** .* ***]" 1
367 1 32 ASN H 1 33 GLY H 4.000 . 5.000 2.329 1.681 2.915 0.119 5 0 "[ . 1 . 2]" 1
368 1 33 GLY QA 1 34 HIS H 3.500 . 4.000 2.284 2.109 2.863 . 0 0 "[ . 1 . 2]" 1
369 1 33 GLY QA 1 34 HIS HD2 4.000 . 5.000 3.521 2.870 5.076 0.076 18 0 "[ . 1 . 2]" 1
370 1 35 HIS HA 1 36 PHE H 2.500 . 3.000 2.894 2.730 3.177 0.177 6 0 "[ . 1 . 2]" 1
371 1 36 PHE QB 1 37 LEU H 4.000 . 5.000 2.162 1.991 2.309 . 0 0 "[ . 1 . 2]" 1
372 1 36 PHE QD 1 37 LEU H 3.500 . 4.000 2.988 2.784 3.189 . 0 0 "[ . 1 . 2]" 1
373 1 36 PHE H 1 37 LEU H 3.000 . 3.500 4.364 4.351 4.380 0.880 13 20 [*********-**+*******] 1
374 1 36 PHE QD 1 37 LEU HA 3.000 . 3.500 2.892 2.718 3.097 . 0 0 "[ . 1 . 2]" 1
375 1 36 PHE HA 1 37 LEU QB 3.500 . 4.000 4.043 3.850 4.138 0.138 20 0 "[ . 1 . 2]" 1
376 1 37 LEU HA 1 38 THR H 3.500 . 4.000 2.334 2.222 2.434 . 0 0 "[ . 1 . 2]" 1
377 1 37 LEU HB2 1 38 THR H 4.000 . 5.000 3.954 3.829 4.108 . 0 0 "[ . 1 . 2]" 1
378 1 37 LEU HB3 1 38 THR H 4.000 . 5.000 2.675 2.501 2.961 . 0 0 "[ . 1 . 2]" 1
379 1 37 LEU QD 1 38 THR H 4.000 . 5.000 2.881 2.394 3.128 . 0 0 "[ . 1 . 2]" 1
380 1 37 LEU H 1 38 THR H 4.500 . 5.500 4.375 4.351 4.398 . 0 0 "[ . 1 . 2]" 1
381 1 38 THR HA 1 39 LYS H 4.500 . 5.500 2.377 2.230 2.548 . 0 0 "[ . 1 . 2]" 1
382 1 38 THR HB 1 39 LYS H 3.500 . 4.000 2.618 2.166 3.040 . 0 0 "[ . 1 . 2]" 1
383 1 38 THR MG 1 39 LYS H 4.000 . 5.000 3.802 3.632 3.976 . 0 0 "[ . 1 . 2]" 1
384 1 39 LYS HA 1 40 GLU H 4.000 . 5.000 3.513 3.459 3.557 . 0 0 "[ . 1 . 2]" 1
385 1 39 LYS HB3 1 40 GLU H 4.000 . 5.000 2.844 2.494 3.446 . 0 0 "[ . 1 . 2]" 1
386 1 39 LYS QD 1 40 GLU H 4.500 . 5.500 4.162 3.629 5.002 . 0 0 "[ . 1 . 2]" 1
387 1 39 LYS QG 1 40 GLU H 4.000 . 5.000 4.480 4.097 4.736 . 0 0 "[ . 1 . 2]" 1
388 1 39 LYS H 1 40 GLU H 4.000 . 5.000 2.829 2.514 3.139 . 0 0 "[ . 1 . 2]" 1
389 1 40 GLU HA 1 41 GLU H 4.500 . 5.500 3.505 3.475 3.534 . 0 0 "[ . 1 . 2]" 1
390 1 40 GLU H 1 41 GLU H 4.000 . 5.000 2.555 2.415 2.769 . 0 0 "[ . 1 . 2]" 1
391 1 41 GLU HA 1 42 LEU H 4.000 . 5.000 3.481 3.398 3.574 . 0 0 "[ . 1 . 2]" 1
392 1 41 GLU QB 1 42 LEU H 4.000 . 5.000 2.777 2.405 3.071 . 0 0 "[ . 1 . 2]" 1
393 1 41 GLU H 1 42 LEU H 4.000 . 5.000 2.376 2.125 2.622 . 0 0 "[ . 1 . 2]" 1
394 1 41 GLU H 1 42 LEU HG 4.000 . 5.000 3.736 3.583 3.916 . 0 0 "[ . 1 . 2]" 1
395 1 42 LEU HA 1 43 LEU H 4.000 . 5.000 3.519 3.486 3.549 . 0 0 "[ . 1 . 2]" 1
396 1 42 LEU HB2 1 43 LEU H 4.500 . 5.500 2.610 2.316 2.878 . 0 0 "[ . 1 . 2]" 1
397 1 42 LEU QD 1 43 LEU H 3.500 . 4.000 3.996 3.873 4.122 0.122 16 0 "[ . 1 . 2]" 1
398 1 42 LEU HB2 1 43 LEU QD 4.000 . 5.000 3.448 2.479 4.048 . 0 0 "[ . 1 . 2]" 1
399 1 43 LEU HA 1 44 GLN H 4.000 . 5.000 3.523 3.461 3.569 . 0 0 "[ . 1 . 2]" 1
400 1 43 LEU HB2 1 44 GLN H 4.000 . 5.000 2.745 2.391 3.097 . 0 0 "[ . 1 . 2]" 1
401 1 43 LEU HB3 1 44 GLN H 4.500 . 5.500 3.613 3.161 3.908 . 0 0 "[ . 1 . 2]" 1
402 1 43 LEU H 1 44 GLN H 4.000 . 5.000 2.810 2.723 2.899 . 0 0 "[ . 1 . 2]" 1
403 1 43 LEU H 1 44 GLN QB 3.500 . 4.000 4.801 4.546 4.960 0.960 14 20 [-************+******] 1
404 1 44 GLN HA 1 45 ARG H 4.000 . 5.000 3.532 3.509 3.550 . 0 0 "[ . 1 . 2]" 1
405 1 44 GLN QB 1 45 ARG H 3.500 . 4.000 2.434 2.269 2.511 . 0 0 "[ . 1 . 2]" 1
406 1 44 GLN HG2 1 45 ARG H 4.000 . 5.000 4.521 3.580 4.952 . 0 0 "[ . 1 . 2]" 1
407 1 44 GLN H 1 45 ARG QB 4.000 . 5.000 4.132 4.001 4.253 . 0 0 "[ . 1 . 2]" 1
408 1 44 GLN H 1 45 ARG H 3.500 . 4.000 2.345 2.207 2.495 . 0 0 "[ . 1 . 2]" 1
409 1 45 ARG QB 1 46 CYS H 4.000 . 5.000 2.375 2.218 2.558 . 0 0 "[ . 1 . 2]" 1
410 1 45 ARG QG 1 46 CYS H 4.000 . 5.000 3.860 3.751 3.980 . 0 0 "[ . 1 . 2]" 1
411 1 46 CYS HA 1 47 ALA H 4.000 . 5.000 3.517 3.497 3.537 . 0 0 "[ . 1 . 2]" 1
412 1 46 CYS HB3 1 47 ALA H 3.500 . 4.000 3.353 2.695 3.959 . 0 0 "[ . 1 . 2]" 1
413 1 46 CYS HB2 1 47 ALA H 3.000 . 3.500 3.780 2.706 4.141 0.641 14 2 "[ -. 1 +. 2]" 1
414 1 46 CYS H 1 47 ALA H 4.000 . 5.000 2.684 2.517 2.790 . 0 0 "[ . 1 . 2]" 1
415 1 46 CYS H 1 47 ALA MB 4.000 . 5.000 4.338 4.187 4.414 . 0 0 "[ . 1 . 2]" 1
416 1 47 ALA MB 1 48 GLN H 3.500 . 4.000 3.286 2.462 3.516 . 0 0 "[ . 1 . 2]" 1
417 1 48 GLN H 1 49 LYS HB3 4.000 . 5.000 4.053 3.774 4.528 . 0 0 "[ . 1 . 2]" 1
418 1 50 SER HA 1 51 PRO QD 4.500 . 5.500 1.980 1.810 2.272 . 0 0 "[ . 1 . 2]" 1
419 1 50 SER HA 1 51 PRO HG3 4.500 . 5.500 4.295 3.964 4.744 . 0 0 "[ . 1 . 2]" 1
420 1 51 PRO HA 1 52 ARG H 4.000 . 5.000 3.107 2.153 3.574 . 0 0 "[ . 1 . 2]" 1
421 1 52 ARG HA 1 53 VAL QG 4.000 . 5.000 3.779 3.309 4.363 . 0 0 "[ . 1 . 2]" 1
422 1 53 VAL HA 1 54 ALA H 3.000 . 3.500 2.573 2.181 3.554 0.054 18 0 "[ . 1 . 2]" 1
423 1 53 VAL HB 1 54 ALA H 4.000 . 5.000 3.146 1.978 4.407 . 0 0 "[ . 1 . 2]" 1
424 1 53 VAL QG 1 54 ALA H 4.500 . 5.500 3.143 1.872 3.747 . 0 0 "[ . 1 . 2]" 1
425 1 53 VAL QG 1 54 ALA MB 3.500 . 4.000 3.988 2.582 4.588 0.588 10 1 "[ . + . 2]" 1
426 1 54 ALA MB 1 55 PRO HD3 3.000 . 3.500 3.143 2.739 3.877 0.377 14 0 "[ . 1 . 2]" 1
427 1 54 ALA MB 1 55 PRO HD2 4.000 . 5.000 2.525 1.940 4.252 . 0 0 "[ . 1 . 2]" 1
428 1 54 ALA HA 1 55 PRO HD3 2.500 . 3.000 2.061 1.845 3.040 0.040 14 0 "[ . 1 . 2]" 1
429 1 54 ALA HA 1 55 PRO HD2 4.000 . 5.000 2.752 2.404 3.008 . 0 0 "[ . 1 . 2]" 1
430 1 54 ALA HA 1 55 PRO QG 3.500 . 4.000 3.875 3.715 4.500 0.500 14 1 "[ . 1 +. 2]" 1
431 1 57 SER HA 1 58 ALA MB 4.000 . 5.000 4.156 3.879 5.000 . 0 0 "[ . 1 . 2]" 1
432 1 58 ALA MB 1 59 PRO HD2 3.000 . 3.500 3.704 2.425 4.062 0.562 4 5 "[ +.** 1* -. 2]" 1
433 1 58 ALA MB 1 59 PRO HD3 4.000 . 5.000 3.536 1.797 4.062 0.003 20 0 "[ . 1 . 2]" 1
434 1 58 ALA HA 1 59 PRO HD2 4.000 . 5.000 2.703 2.337 4.022 . 0 0 "[ . 1 . 2]" 1
435 1 58 ALA HA 1 59 PRO HD3 4.000 . 5.000 2.571 1.939 3.895 . 0 0 "[ . 1 . 2]" 1
436 1 58 ALA HA 1 59 PRO QG 4.000 . 5.000 4.202 3.801 5.270 0.270 16 0 "[ . 1 . 2]" 1
437 1 59 PRO HB3 1 60 PRO HD3 3.500 . 4.000 3.371 3.051 4.185 0.185 9 0 "[ . 1 . 2]" 1
438 1 59 PRO HB2 1 60 PRO HD3 4.500 . 5.500 4.040 3.236 4.645 . 0 0 "[ . 1 . 2]" 1
439 1 59 PRO HA 1 60 PRO HD3 4.000 . 5.000 2.087 1.845 2.517 . 0 0 "[ . 1 . 2]" 1
440 1 59 PRO HA 1 60 PRO HD2 3.500 . 4.000 2.793 2.505 2.922 . 0 0 "[ . 1 . 2]" 1
441 1 61 TRP HB3 1 62 PRO QD 4.000 . 5.000 3.521 2.709 4.189 . 0 0 "[ . 1 . 2]" 1
442 1 61 TRP HB2 1 62 PRO QD 4.000 . 5.000 3.037 2.483 3.757 . 0 0 "[ . 1 . 2]" 1
443 1 61 TRP HA 1 62 PRO QD 2.500 . 3.000 3.412 3.090 3.522 0.522 3 4 "[- + . * *1 . 2]" 1
444 1 61 TRP HD1 1 62 PRO QD 4.000 . 5.000 4.663 4.105 5.102 0.102 16 0 "[ . 1 . 2]" 1
445 1 64 LEU HA 1 65 ARG H 4.000 . 5.000 3.549 3.490 3.579 . 0 0 "[ . 1 . 2]" 1
446 1 64 LEU HB3 1 65 ARG H 4.000 . 5.000 3.194 2.353 4.240 . 0 0 "[ . 1 . 2]" 1
447 1 64 LEU QD 1 65 ARG H 3.000 . 3.500 3.179 1.640 4.146 0.646 13 1 "[ . 1 + . 2]" 1
448 1 64 LEU HG 1 65 ARG H 4.000 . 5.000 3.943 2.517 5.017 0.017 5 0 "[ . 1 . 2]" 1
449 1 64 LEU QD 1 65 ARG QG 3.500 . 4.000 3.616 1.796 4.700 0.700 9 7 "[ * ** -+1 . * *]" 1
450 1 65 ARG QB 1 66 SER H 4.000 . 5.000 2.468 2.241 2.746 . 0 0 "[ . 1 . 2]" 1
451 1 65 ARG H 1 66 SER H 4.000 . 5.000 2.866 2.609 3.066 . 0 0 "[ . 1 . 2]" 1
452 1 66 SER HA 1 67 LEU H 4.000 . 5.000 3.501 3.466 3.544 . 0 0 "[ . 1 . 2]" 1
453 1 66 SER H 1 67 LEU H 3.000 . 3.500 2.793 2.644 2.914 . 0 0 "[ . 1 . 2]" 1
454 1 66 SER QB 1 67 LEU QB 4.000 . 5.000 4.354 4.219 4.489 . 0 0 "[ . 1 . 2]" 1
455 1 66 SER QB 1 67 LEU QD 4.000 . 5.000 2.684 2.337 2.964 . 0 0 "[ . 1 . 2]" 1
456 1 67 LEU HA 1 68 LEU H 4.000 . 5.000 3.514 3.474 3.548 . 0 0 "[ . 1 . 2]" 1
457 1 67 LEU QB 1 68 LEU H 3.000 . 3.500 2.817 2.663 2.944 . 0 0 "[ . 1 . 2]" 1
458 1 67 LEU QD 1 68 LEU H 3.500 . 4.000 3.982 3.805 4.075 0.075 7 0 "[ . 1 . 2]" 1
459 1 67 LEU H 1 68 LEU H 4.000 . 5.000 2.465 2.384 2.558 . 0 0 "[ . 1 . 2]" 1
460 1 68 LEU HA 1 69 HIS H 2.500 . 3.000 3.499 3.488 3.509 0.509 19 10 "[ * . *-*** *.* +*]" 1
461 1 68 LEU HB3 1 69 HIS H 4.000 . 5.000 3.493 2.506 3.769 . 0 0 "[ . 1 . 2]" 1
462 1 68 LEU HB2 1 69 HIS H 4.000 . 5.000 2.660 2.400 3.410 . 0 0 "[ . 1 . 2]" 1
463 1 68 LEU MD2 1 69 HIS H 4.000 . 5.000 4.699 3.880 4.794 . 0 0 "[ . 1 . 2]" 1
464 1 68 LEU HG 1 69 HIS H 4.000 . 5.000 4.333 4.119 5.005 0.005 13 0 "[ . 1 . 2]" 1
465 1 68 LEU H 1 69 HIS H 3.500 . 4.000 2.565 2.426 2.724 . 0 0 "[ . 1 . 2]" 1
466 1 68 LEU H 1 69 HIS QB 3.000 . 3.500 4.258 4.154 4.371 0.871 12 20 [***********+**-*****] 1
467 1 69 HIS HA 1 70 ARG H 4.000 . 5.000 3.547 3.496 3.577 . 0 0 "[ . 1 . 2]" 1
468 1 69 HIS QB 1 70 ARG H 4.000 . 5.000 2.555 2.384 2.717 . 0 0 "[ . 1 . 2]" 1
469 1 69 HIS H 1 70 ARG H 4.000 . 5.000 2.748 2.669 2.819 . 0 0 "[ . 1 . 2]" 1
470 1 69 HIS QB 1 70 ARG HG2 4.000 . 5.000 3.606 3.045 4.200 . 0 0 "[ . 1 . 2]" 1
471 1 69 HIS HD2 1 70 ARG HG2 4.000 . 5.000 3.458 3.142 3.779 . 0 0 "[ . 1 . 2]" 1
472 1 70 ARG HA 1 71 ASN H 4.000 . 5.000 3.338 3.275 3.523 . 0 0 "[ . 1 . 2]" 1
473 1 70 ARG HB3 1 71 ASN H 4.000 . 5.000 4.177 3.737 4.267 . 0 0 "[ . 1 . 2]" 1
474 1 70 ARG HB2 1 71 ASN H 3.000 . 3.500 3.318 2.696 3.466 . 0 0 "[ . 1 . 2]" 1
475 1 70 ARG HG2 1 71 ASN H 4.000 . 5.000 4.745 4.285 5.083 0.083 13 0 "[ . 1 . 2]" 1
476 1 70 ARG H 1 71 ASN H 4.000 . 5.000 2.562 2.309 2.751 . 0 0 "[ . 1 . 2]" 1
477 1 71 ASN HA 1 72 LEU H 4.000 . 5.000 2.999 2.768 3.118 . 0 0 "[ . 1 . 2]" 1
478 1 71 ASN QB 1 72 LEU H 3.000 . 3.500 3.749 3.682 3.860 0.360 7 0 "[ . 1 . 2]" 1
479 1 71 ASN H 1 72 LEU QD . . 3.000 3.841 2.702 4.088 1.088 13 19 "[****** *****+*****-*]" 1
480 1 71 ASN H 1 72 LEU HG 4.500 . 5.500 4.189 4.024 5.271 . 0 0 "[ . 1 . 2]" 1
481 1 72 LEU HA 1 73 VAL H 3.000 . 3.500 3.437 3.397 3.490 . 0 0 "[ . 1 . 2]" 1
482 1 72 LEU QB 1 73 VAL H 3.000 . 3.500 2.840 2.659 2.950 . 0 0 "[ . 1 . 2]" 1
483 1 72 LEU QD 1 73 VAL H 4.000 . 5.000 3.914 3.703 3.954 . 0 0 "[ . 1 . 2]" 1
484 1 72 LEU H 1 73 VAL H 4.000 . 5.000 2.169 1.900 2.431 . 0 0 "[ . 1 . 2]" 1
485 1 73 VAL HA 1 74 LEU H 3.500 . 4.000 2.459 2.371 2.532 . 0 0 "[ . 1 . 2]" 1
486 1 73 VAL HB 1 74 LEU H 4.000 . 5.000 2.465 2.201 3.810 . 0 0 "[ . 1 . 2]" 1
487 1 73 VAL QG 1 74 LEU H 4.000 . 5.000 3.000 1.939 3.210 . 0 0 "[ . 1 . 2]" 1
488 1 73 VAL H 1 74 LEU H 4.000 . 5.000 4.471 4.416 4.522 . 0 0 "[ . 1 . 2]" 1
489 1 73 VAL QG 1 74 LEU HB3 4.000 . 5.000 4.998 4.184 5.185 0.185 7 0 "[ . 1 . 2]" 1
490 1 73 VAL QG 1 74 LEU HB2 4.000 . 5.000 4.735 4.130 4.968 . 0 0 "[ . 1 . 2]" 1
491 1 73 VAL QG 1 74 LEU HA 3.000 . 3.500 3.838 3.294 4.059 0.559 12 2 "[ . 1 + . -]" 1
492 1 73 VAL HA 1 74 LEU HB2 4.000 . 5.000 4.074 3.937 4.285 . 0 0 "[ . 1 . 2]" 1
493 1 74 LEU HA 1 75 ARG H 4.000 . 5.000 2.202 2.159 2.246 . 0 0 "[ . 1 . 2]" 1
494 1 74 LEU QD 1 75 ARG H 3.000 . 3.500 2.232 1.784 2.825 0.016 14 0 "[ . 1 . 2]" 1
495 1 74 LEU HG 1 75 ARG H 4.000 . 5.000 3.187 2.451 3.810 . 0 0 "[ . 1 . 2]" 1
496 1 74 LEU H 1 75 ARG H 3.500 . 4.000 4.357 4.135 4.499 0.499 12 0 "[ . 1 . 2]" 1
497 1 74 LEU HA 1 75 ARG QB 3.500 . 4.000 4.498 4.009 4.625 0.625 1 17 "[+**** ** ** ******-*]" 1
498 1 75 ARG HA 1 76 THR H 4.000 . 5.000 2.257 2.228 2.286 . 0 0 "[ . 1 . 2]" 1
499 1 75 ARG QB 1 76 THR H 3.000 . 3.500 2.887 2.726 3.580 0.080 6 0 "[ . 1 . 2]" 1
500 1 75 ARG QG 1 76 THR H 4.500 . 5.500 3.923 2.357 4.282 . 0 0 "[ . 1 . 2]" 1
501 1 75 ARG H 1 76 THR H 3.500 . 4.000 4.512 4.440 4.593 0.593 4 13 "[** +* **** *** -* 2]" 1
502 1 75 ARG HA 1 76 THR MG 4.000 . 5.000 4.697 3.200 5.326 0.326 15 0 "[ . 1 . 2]" 1
503 1 75 ARG QB 1 76 THR MG 3.500 . 4.000 5.108 4.281 5.419 1.419 13 16 "[** ***** * -+******2]" 1
504 1 75 ARG QD 1 76 THR HA 4.000 . 5.000 5.083 5.028 5.118 0.118 16 0 "[ . 1 . 2]" 1
505 1 76 THR HA 1 77 HIS H 3.500 . 4.000 2.605 2.564 2.696 . 0 0 "[ . 1 . 2]" 1
506 1 76 THR HB 1 77 HIS H 3.500 . 4.000 2.577 1.798 3.383 0.002 11 0 "[ . 1 . 2]" 1
507 1 76 THR MG 1 77 HIS H 3.500 . 4.000 2.126 1.602 3.516 0.198 15 0 "[ . 1 . 2]" 1
508 1 76 THR MG 1 77 HIS QB . . 3.500 2.876 2.228 4.461 0.961 12 5 "[ * . -1*+ . *]" 1
509 1 77 HIS HA 1 78 GLN H 2.500 . 3.000 3.582 3.529 3.602 0.602 6 20 [-****+**************] 1
510 1 77 HIS QB 1 78 GLN H 3.500 . 4.000 2.127 1.830 3.018 . 0 0 "[ . 1 . 2]" 1
511 1 78 GLN HA 1 79 PRO HB2 3.500 . 4.000 4.369 4.222 4.535 0.535 9 1 "[ . +1 . 2]" 1
512 1 78 GLN HA 1 79 PRO HB3 4.000 . 5.000 4.484 4.379 4.649 . 0 0 "[ . 1 . 2]" 1
513 1 78 GLN QB 1 79 PRO HA 4.000 . 5.000 3.564 2.286 4.586 . 0 0 "[ . 1 . 2]" 1
514 1 78 GLN QG 1 79 PRO HA 4.000 . 5.000 2.774 1.762 4.874 0.038 13 0 "[ . 1 . 2]" 1
515 1 78 GLN HA 1 79 PRO HA 4.000 . 5.000 2.442 2.166 2.843 . 0 0 "[ . 1 . 2]" 1
516 1 79 PRO HA 1 80 ALA H 4.000 . 5.000 2.703 2.115 3.358 . 0 0 "[ . 1 . 2]" 1
517 1 79 PRO HB2 1 80 ALA H 3.500 . 4.000 3.773 3.074 4.281 0.281 1 0 "[ . 1 . 2]" 1
518 1 79 PRO HB3 1 80 ALA H 4.000 . 5.000 4.037 3.564 4.656 . 0 0 "[ . 1 . 2]" 1
519 1 79 PRO QD 1 80 ALA H 4.000 . 5.000 3.856 2.501 4.993 . 0 0 "[ . 1 . 2]" 1
520 1 79 PRO HA 1 80 ALA MB 4.000 . 5.000 3.991 3.836 4.103 . 0 0 "[ . 1 . 2]" 1
521 1 79 PRO HA 1 80 ALA HA 3.000 . 3.500 4.601 4.366 4.852 1.352 2 20 [*+****************-*] 1
522 1 80 ALA HA 1 81 ARG H 4.000 . 5.000 2.203 2.137 2.277 . 0 0 "[ . 1 . 2]" 1
523 1 80 ALA MB 1 81 ARG H 4.000 . 5.000 3.510 3.391 3.615 . 0 0 "[ . 1 . 2]" 1
524 1 80 ALA H 1 81 ARG H 2.500 . 3.000 3.580 2.690 4.327 1.327 19 10 "[* * . * 1** *-* +*]" 1
525 1 80 ALA MB 1 81 ARG HA 4.000 . 5.000 4.524 4.506 4.540 . 0 0 "[ . 1 . 2]" 1
526 1 81 ARG HA 1 82 TYR H 3.500 . 4.000 2.193 2.170 2.222 . 0 0 "[ . 1 . 2]" 1
527 1 81 ARG HB3 1 82 TYR H 4.000 . 5.000 3.512 3.444 3.600 . 0 0 "[ . 1 . 2]" 1
528 1 81 ARG HB2 1 82 TYR H 4.000 . 5.000 4.215 4.046 4.258 . 0 0 "[ . 1 . 2]" 1
529 1 81 ARG HA 1 82 TYR QD 4.500 . 5.500 4.263 3.869 4.493 . 0 0 "[ . 1 . 2]" 1
530 1 82 TYR HA 1 83 SER H 4.000 . 5.000 2.229 2.144 2.336 . 0 0 "[ . 1 . 2]" 1
531 1 82 TYR HB2 1 83 SER H 4.000 . 5.000 3.957 3.830 4.112 . 0 0 "[ . 1 . 2]" 1
532 1 82 TYR HB3 1 83 SER H 4.000 . 5.000 2.818 2.596 3.021 . 0 0 "[ . 1 . 2]" 1
533 1 82 TYR QD 1 83 SER H 4.000 . 5.000 3.547 3.413 3.637 . 0 0 "[ . 1 . 2]" 1
534 1 82 TYR H 1 83 SER H 4.000 . 5.000 4.570 4.541 4.613 . 0 0 "[ . 1 . 2]" 1
535 1 83 SER HA 1 84 LEU H 4.500 . 5.500 2.200 2.140 2.309 . 0 0 "[ . 1 . 2]" 1
536 1 83 SER QB 1 84 LEU H 4.500 . 5.500 3.186 2.631 3.748 . 0 0 "[ . 1 . 2]" 1
537 1 84 LEU HA 1 85 THR H 4.500 . 5.500 2.190 2.154 2.231 . 0 0 "[ . 1 . 2]" 1
538 1 84 LEU HB3 1 85 THR H 3.500 . 4.000 3.521 3.348 3.623 . 0 0 "[ . 1 . 2]" 1
539 1 84 LEU HB2 1 85 THR H 4.500 . 5.500 4.412 4.303 4.492 . 0 0 "[ . 1 . 2]" 1
540 1 84 LEU MD1 1 85 THR H 4.500 . 5.500 4.968 4.822 5.059 . 0 0 "[ . 1 . 2]" 1
541 1 84 LEU MD2 1 85 THR H 4.500 . 5.500 3.404 3.262 3.616 . 0 0 "[ . 1 . 2]" 1
542 1 85 THR H 1 86 PRO QD 4.500 . 5.500 4.405 4.399 4.411 . 0 0 "[ . 1 . 2]" 1
543 1 85 THR MG 1 86 PRO QD 4.500 . 5.500 1.863 1.839 1.892 . 0 0 "[ . 1 . 2]" 1
544 1 85 THR HA 1 86 PRO QD 4.000 . 5.000 2.444 2.412 2.464 . 0 0 "[ . 1 . 2]" 1
545 1 85 THR HB 1 86 PRO QD 4.000 . 5.000 1.969 1.931 1.999 . 0 0 "[ . 1 . 2]" 1
546 1 85 THR HA 1 86 PRO HG3 4.500 . 5.500 4.655 4.631 4.673 . 0 0 "[ . 1 . 2]" 1
547 1 85 THR HB 1 86 PRO HG3 4.500 . 5.500 4.756 4.720 4.781 . 0 0 "[ . 1 . 2]" 1
548 1 85 THR HA 1 86 PRO HG2 4.500 . 5.500 5.060 5.024 5.080 . 0 0 "[ . 1 . 2]" 1
549 1 85 THR HB 1 86 PRO HG2 4.500 . 5.500 4.180 4.140 4.209 . 0 0 "[ . 1 . 2]" 1
550 1 86 PRO HA 1 87 GLU H 4.500 . 5.500 3.578 3.556 3.592 . 0 0 "[ . 1 . 2]" 1
551 1 86 PRO HB3 1 87 GLU H 4.500 . 5.500 3.755 3.705 3.816 . 0 0 "[ . 1 . 2]" 1
552 1 86 PRO QD 1 87 GLU H 3.500 . 4.000 3.141 3.081 3.181 . 0 0 "[ . 1 . 2]" 1
553 1 86 PRO HG2 1 87 GLU H 4.000 . 5.000 4.097 4.062 4.147 . 0 0 "[ . 1 . 2]" 1
554 1 87 GLU HA 1 88 GLY H 4.000 . 5.000 3.557 3.525 3.580 . 0 0 "[ . 1 . 2]" 1
555 1 87 GLU HB3 1 88 GLY H 4.000 . 5.000 3.670 3.521 3.833 . 0 0 "[ . 1 . 2]" 1
556 1 87 GLU HB2 1 88 GLY H 4.000 . 5.000 2.673 2.532 2.820 . 0 0 "[ . 1 . 2]" 1
557 1 87 GLU HG3 1 88 GLY H 4.500 . 5.500 4.598 4.282 5.086 . 0 0 "[ . 1 . 2]" 1
558 1 87 GLU HG2 1 88 GLY H 4.000 . 5.000 4.914 4.258 5.100 0.100 16 0 "[ . 1 . 2]" 1
559 1 87 GLU H 1 88 GLY H 4.500 . 5.500 2.549 2.441 2.677 . 0 0 "[ . 1 . 2]" 1
560 1 88 GLY HA3 1 89 LEU H 4.500 . 5.500 2.978 2.907 3.024 . 0 0 "[ . 1 . 2]" 1
561 1 88 GLY HA2 1 89 LEU H 4.500 . 5.500 3.463 3.445 3.492 . 0 0 "[ . 1 . 2]" 1
562 1 88 GLY H 1 89 LEU HA 4.500 . 5.500 5.037 4.951 5.131 . 0 0 "[ . 1 . 2]" 1
563 1 88 GLY H 1 89 LEU H 4.500 . 5.500 2.407 2.309 2.506 . 0 0 "[ . 1 . 2]" 1
564 1 89 LEU HA 1 90 GLU H 4.500 . 5.500 3.560 3.533 3.572 . 0 0 "[ . 1 . 2]" 1
565 1 89 LEU HB3 1 90 GLU H 4.000 . 5.000 2.286 2.184 2.386 . 0 0 "[ . 1 . 2]" 1
566 1 89 LEU HB2 1 90 GLU H 4.000 . 5.000 3.110 3.004 3.458 . 0 0 "[ . 1 . 2]" 1
567 1 89 LEU QD 1 90 GLU H 4.000 . 5.000 3.669 3.542 3.805 . 0 0 "[ . 1 . 2]" 1
568 1 89 LEU H 1 90 GLU H 4.000 . 5.000 2.655 2.608 2.712 . 0 0 "[ . 1 . 2]" 1
569 1 89 LEU H 1 90 GLU QB 4.500 . 5.500 4.582 4.396 5.009 . 0 0 "[ . 1 . 2]" 1
570 1 90 GLU HA 1 91 LEU H 4.500 . 5.500 3.527 3.479 3.550 . 0 0 "[ . 1 . 2]" 1
571 1 90 GLU QB 1 91 LEU H 4.500 . 5.500 2.610 2.415 3.358 . 0 0 "[ . 1 . 2]" 1
572 1 90 GLU H 1 91 LEU HB2 4.500 . 5.500 4.886 4.659 5.157 . 0 0 "[ . 1 . 2]" 1
573 1 90 GLU QB 1 91 LEU HA 4.500 . 5.500 3.826 3.760 4.138 . 0 0 "[ . 1 . 2]" 1
574 1 91 LEU HA 1 92 ALA H 4.500 . 5.500 3.544 3.533 3.556 . 0 0 "[ . 1 . 2]" 1
575 1 91 LEU HB3 1 92 ALA H 4.500 . 5.500 2.809 2.351 3.508 . 0 0 "[ . 1 . 2]" 1
576 1 91 LEU HB2 1 92 ALA H 4.000 . 5.000 3.265 2.657 3.829 . 0 0 "[ . 1 . 2]" 1
577 1 91 LEU MD1 1 92 ALA H 4.000 . 5.000 4.650 4.489 4.820 . 0 0 "[ . 1 . 2]" 1
578 1 91 LEU HG 1 92 ALA H 4.000 . 5.000 4.843 4.398 5.055 0.055 17 0 "[ . 1 . 2]" 1
579 1 91 LEU H 1 92 ALA H 4.000 . 5.000 2.489 2.431 2.629 . 0 0 "[ . 1 . 2]" 1
580 1 92 ALA HA 1 93 GLN H 4.000 . 5.000 3.533 3.492 3.551 . 0 0 "[ . 1 . 2]" 1
581 1 92 ALA MB 1 93 GLN H 4.000 . 5.000 2.644 2.562 2.742 . 0 0 "[ . 1 . 2]" 1
582 1 92 ALA H 1 93 GLN H 4.500 . 5.500 2.654 2.496 2.771 . 0 0 "[ . 1 . 2]" 1
583 1 93 GLN HA 1 94 LYS H 4.000 . 5.000 3.521 3.508 3.529 . 0 0 "[ . 1 . 2]" 1
584 1 93 GLN HB3 1 94 LYS H 4.000 . 5.000 3.326 2.492 3.549 . 0 0 "[ . 1 . 2]" 1
585 1 93 GLN H 1 94 LYS H 4.000 . 5.000 2.590 2.535 2.646 . 0 0 "[ . 1 . 2]" 1
586 1 93 GLN H 1 94 LYS HG2 4.000 . 5.000 5.070 3.702 5.235 0.235 15 0 "[ . 1 . 2]" 1
587 1 94 LYS HA 1 95 LEU H 4.000 . 5.000 3.547 3.533 3.554 . 0 0 "[ . 1 . 2]" 1
588 1 94 LYS HB3 1 95 LEU H 4.000 . 5.000 3.766 3.690 3.891 . 0 0 "[ . 1 . 2]" 1
589 1 94 LYS HB2 1 95 LEU H 4.000 . 5.000 2.510 2.398 2.650 . 0 0 "[ . 1 . 2]" 1
590 1 94 LYS H 1 95 LEU H 4.000 . 5.000 2.838 2.794 2.893 . 0 0 "[ . 1 . 2]" 1
591 1 95 LEU HB3 1 96 ALA H 3.500 . 4.000 3.589 3.547 3.623 . 0 0 "[ . 1 . 2]" 1
592 1 95 LEU HB2 1 96 ALA H 4.000 . 5.000 2.823 2.728 2.908 . 0 0 "[ . 1 . 2]" 1
593 1 95 LEU MD2 1 96 ALA H 4.500 . 5.500 4.722 4.616 4.787 . 0 0 "[ . 1 . 2]" 1
594 1 95 LEU H 1 96 ALA MB 4.000 . 5.000 4.091 4.038 4.127 . 0 0 "[ . 1 . 2]" 1
595 1 95 LEU HA 1 96 ALA MB 3.500 . 4.000 4.963 4.946 4.978 0.978 8 20 [***-***+************] 1
596 1 96 ALA HA 1 97 GLU H 4.000 . 5.000 3.490 3.445 3.545 . 0 0 "[ . 1 . 2]" 1
597 1 96 ALA MB 1 97 GLU H 4.000 . 5.000 2.693 2.467 2.859 . 0 0 "[ . 1 . 2]" 1
598 1 96 ALA H 1 97 GLU HG3 3.500 . 4.000 3.790 3.718 3.882 . 0 0 "[ . 1 . 2]" 1
599 1 96 ALA H 1 97 GLU H 3.500 . 4.000 2.676 2.633 2.757 . 0 0 "[ . 1 . 2]" 1
600 1 96 ALA MB 1 97 GLU HG3 4.000 . 5.000 3.681 3.542 4.080 . 0 0 "[ . 1 . 2]" 1
601 1 96 ALA MB 1 97 GLU HG2 4.000 . 5.000 4.159 3.960 5.051 0.051 4 0 "[ . 1 . 2]" 1
602 1 96 ALA MB 1 97 GLU HA 4.500 . 5.500 3.839 3.751 3.868 . 0 0 "[ . 1 . 2]" 1
603 1 97 GLU HA 1 98 SER H 4.000 . 5.000 3.533 3.529 3.543 . 0 0 "[ . 1 . 2]" 1
604 1 97 GLU QB 1 98 SER H 3.500 . 4.000 2.368 2.287 3.325 . 0 0 "[ . 1 . 2]" 1
605 1 97 GLU HG3 1 98 SER H 3.500 . 4.000 3.672 2.264 3.778 . 0 0 "[ . 1 . 2]" 1
606 1 97 GLU H 1 98 SER H 4.000 . 5.000 2.825 2.667 2.919 . 0 0 "[ . 1 . 2]" 1
607 1 97 GLU H 1 98 SER QB 4.000 . 5.000 4.460 4.290 4.556 . 0 0 "[ . 1 . 2]" 1
608 1 97 GLU QB 1 98 SER QB 4.000 . 5.000 3.810 3.632 4.772 . 0 0 "[ . 1 . 2]" 1
609 1 97 GLU HG3 1 98 SER QB 4.000 . 5.000 5.242 3.919 5.344 0.344 2 0 "[ . 1 . 2]" 1
610 1 98 SER HA 1 99 GLU H 4.000 . 5.000 3.478 3.453 3.518 . 0 0 "[ . 1 . 2]" 1
611 1 98 SER H 1 99 GLU H 4.500 . 5.500 2.854 2.783 2.958 . 0 0 "[ . 1 . 2]" 1
612 1 99 GLU HA 1 100 GLY H 4.500 . 5.500 3.331 3.265 3.400 . 0 0 "[ . 1 . 2]" 1
613 1 99 GLU HB3 1 100 GLY H 4.000 . 5.000 4.246 3.238 4.348 . 0 0 "[ . 1 . 2]" 1
614 1 99 GLU HB2 1 100 GLY H 4.000 . 5.000 3.418 3.299 4.307 . 0 0 "[ . 1 . 2]" 1
615 1 99 GLU H 1 100 GLY H 4.000 . 5.000 2.146 2.077 2.247 . 0 0 "[ . 1 . 2]" 1
616 1 100 GLY HA3 1 101 LEU H 3.500 . 4.000 3.225 3.158 3.353 . 0 0 "[ . 1 . 2]" 1
617 1 100 GLY HA2 1 101 LEU H 4.000 . 5.000 3.254 3.104 3.343 . 0 0 "[ . 1 . 2]" 1
618 1 101 LEU HA 1 102 SER H 4.500 . 5.500 2.849 2.548 3.012 . 0 0 "[ . 1 . 2]" 1
619 1 102 SER HA 1 103 LEU H 4.000 . 5.000 2.905 2.634 3.517 . 0 0 "[ . 1 . 2]" 1
620 1 102 SER QB 1 103 LEU H 4.000 . 5.000 3.722 2.692 4.023 . 0 0 "[ . 1 . 2]" 1
621 1 103 LEU HA 1 104 LEU H 4.000 . 5.000 3.544 3.528 3.557 . 0 0 "[ . 1 . 2]" 1
622 1 103 LEU H 1 104 LEU H 4.000 . 5.000 2.980 2.640 3.863 . 0 0 "[ . 1 . 2]" 1
623 1 104 LEU HA 1 105 ASN H 4.000 . 5.000 3.096 2.136 3.575 . 0 0 "[ . 1 . 2]" 1
624 1 104 LEU QB 1 105 ASN HA 4.000 . 5.000 4.373 3.890 5.100 0.100 20 0 "[ . 1 . 2]" 1
625 1 104 LEU QD 1 105 ASN HA 3.500 . 4.000 4.339 2.998 5.132 1.132 18 10 "[ . - ***** .**+*2]" 1
626 1 105 ASN HA 1 106 VAL H 4.500 . 5.500 2.217 2.134 3.090 . 0 0 "[ . 1 . 2]" 1
627 1 105 ASN HB3 1 106 VAL H 4.500 . 5.500 3.920 2.986 4.454 . 0 0 "[ . 1 . 2]" 1
628 1 105 ASN HB2 1 106 VAL H 4.000 . 5.000 4.136 3.247 4.489 . 0 0 "[ . 1 . 2]" 1
629 1 106 VAL HA 1 107 GLY H 4.000 . 5.000 2.702 2.214 3.574 . 0 0 "[ . 1 . 2]" 1
630 1 106 VAL MG1 1 107 GLY QA 4.000 . 5.000 4.705 3.171 5.052 0.052 19 0 "[ . 1 . 2]" 1
631 1 106 VAL MG2 1 107 GLY QA 4.500 . 5.500 3.479 2.978 4.852 . 0 0 "[ . 1 . 2]" 1
632 1 107 GLY QA 1 108 ILE H 4.000 . 5.000 2.220 2.109 2.780 . 0 0 "[ . 1 . 2]" 1
633 1 108 ILE HA 1 109 GLY H 4.000 . 5.000 2.700 2.161 3.575 . 0 0 "[ . 1 . 2]" 1
634 1 108 ILE HB 1 109 GLY H 4.500 . 5.500 3.212 2.035 4.216 . 0 0 "[ . 1 . 2]" 1
635 1 108 ILE MG 1 109 GLY H 4.000 . 5.000 3.318 2.130 4.352 . 0 0 "[ . 1 . 2]" 1
636 1 9 TYR QD 1 11 PRO QG 4.500 . 5.500 3.683 2.709 4.153 . 0 0 "[ . 1 . 2]" 1
637 1 9 TYR QE 1 11 PRO QG 4.000 . 5.000 2.473 1.801 4.117 . 0 0 "[ . 1 . 2]" 1
638 1 9 TYR QE 1 11 PRO HA 4.000 . 5.000 4.637 2.925 5.357 0.357 12 0 "[ . 1 . 2]" 1
639 1 9 TYR QE 1 11 PRO HB3 4.000 . 5.000 4.410 3.094 5.062 0.062 12 0 "[ . 1 . 2]" 1
640 1 9 TYR QE 1 11 PRO HB2 4.500 . 5.500 5.098 4.355 5.524 0.024 13 0 "[ . 1 . 2]" 1
641 1 9 TYR QD 1 11 PRO HD3 4.000 . 5.000 2.984 2.066 4.108 . 0 0 "[ . 1 . 2]" 1
642 1 9 TYR QE 1 11 PRO HD3 4.000 . 5.000 3.204 2.729 4.868 . 0 0 "[ . 1 . 2]" 1
643 1 10 TRP HD1 1 12 ALA HA 4.000 . 5.000 4.182 2.821 4.402 . 0 0 "[ . 1 . 2]" 1
644 1 10 TRP HD1 1 12 ALA MB 4.000 . 5.000 5.401 4.288 5.595 0.595 19 8 "[- * ** .***+2]" 1
645 1 12 ALA MB 1 15 SER H 4.000 . 5.000 3.506 2.243 4.235 . 0 0 "[ . 1 . 2]" 1
646 1 12 ALA MB 1 15 SER HA 4.000 . 5.000 4.034 3.222 4.452 . 0 0 "[ . 1 . 2]" 1
647 1 12 ALA MB 1 15 SER HB3 4.000 . 5.000 3.288 1.774 4.169 0.026 2 0 "[ . 1 . 2]" 1
648 1 12 ALA MB 1 15 SER HB2 4.500 . 5.500 3.455 1.878 3.957 . 0 0 "[ . 1 . 2]" 1
649 1 13 ARG HA 1 18 ARG HD3 4.000 . 5.000 3.948 2.600 5.031 0.031 16 0 "[ . 1 . 2]" 1
650 1 13 ARG HA 1 18 ARG HD2 4.000 . 5.000 3.348 2.499 5.010 0.010 15 0 "[ . 1 . 2]" 1
651 1 14 HIS HA 1 19 VAL QG 4.000 . 5.000 2.448 2.119 2.828 . 0 0 "[ . 1 . 2]" 1
652 1 15 SER HB2 1 17 ALA H 4.000 . 5.000 3.984 3.360 4.373 . 0 0 "[ . 1 . 2]" 1
653 1 15 SER HB2 1 18 ARG QB 4.000 . 5.000 2.589 1.822 4.124 . 0 0 "[ . 1 . 2]" 1
654 1 16 GLY QA 1 19 VAL H 4.000 . 5.000 3.614 3.469 3.787 . 0 0 "[ . 1 . 2]" 1
655 1 16 GLY QA 1 19 VAL HB 4.500 . 5.500 3.131 2.834 3.555 . 0 0 "[ . 1 . 2]" 1
656 1 16 GLY QA 1 19 VAL QG 4.000 . 5.000 3.374 2.857 3.686 . 0 0 "[ . 1 . 2]" 1
657 1 17 ALA MB 1 19 VAL H 4.000 . 5.000 4.803 4.477 4.932 . 0 0 "[ . 1 . 2]" 1
658 1 17 ALA HA 1 20 ILE H 4.000 . 5.000 3.706 3.587 3.827 . 0 0 "[ . 1 . 2]" 1
659 1 17 ALA HA 1 20 ILE HB 4.000 . 5.000 4.705 4.596 5.027 0.027 3 0 "[ . 1 . 2]" 1
660 1 17 ALA HA 1 20 ILE MD 4.000 . 5.000 2.031 1.807 2.930 . 0 0 "[ . 1 . 2]" 1
661 1 17 ALA HA 1 20 ILE HG12 4.000 . 5.000 2.081 1.900 3.061 . 0 0 "[ . 1 . 2]" 1
662 1 17 ALA HA 1 20 ILE MG 4.000 . 5.000 3.272 2.395 3.499 . 0 0 "[ . 1 . 2]" 1
663 1 17 ALA MB 1 21 LEU QD 4.000 . 5.000 2.921 2.723 3.158 . 0 0 "[ . 1 . 2]" 1
664 1 18 ARG HA 1 21 LEU H 4.000 . 5.000 4.212 3.826 4.431 . 0 0 "[ . 1 . 2]" 1
665 1 18 ARG HA 1 21 LEU QD 4.000 . 5.000 3.067 2.296 3.409 . 0 0 "[ . 1 . 2]" 1
666 1 18 ARG HA 1 22 LEU H 4.000 . 5.000 4.464 4.257 4.604 . 0 0 "[ . 1 . 2]" 1
667 1 18 ARG HA 1 22 LEU QD 4.000 . 5.000 5.139 4.973 5.240 0.240 20 0 "[ . 1 . 2]" 1
668 1 18 ARG HD3 1 22 LEU QD 4.000 . 5.000 3.870 2.832 5.401 0.401 13 0 "[ . 1 . 2]" 1
669 1 18 ARG HD2 1 22 LEU QD 4.000 . 5.000 4.165 2.960 5.402 0.402 3 0 "[ . 1 . 2]" 1
670 1 18 ARG QG 1 22 LEU QD 4.000 . 5.000 4.036 3.252 4.598 . 0 0 "[ . 1 . 2]" 1
671 1 19 VAL HA 1 22 LEU H 4.000 . 5.000 3.814 3.585 3.910 . 0 0 "[ . 1 . 2]" 1
672 1 19 VAL HA 1 22 LEU HB2 4.000 . 5.000 4.059 3.784 4.178 . 0 0 "[ . 1 . 2]" 1
673 1 19 VAL HA 1 22 LEU QD 4.500 . 5.500 3.285 3.013 3.403 . 0 0 "[ . 1 . 2]" 1
674 1 19 VAL QG 1 22 LEU HB3 4.000 . 5.000 3.899 3.686 4.019 . 0 0 "[ . 1 . 2]" 1
675 1 19 VAL QG 1 22 LEU HB2 4.000 . 5.000 4.915 4.704 5.020 0.020 19 0 "[ . 1 . 2]" 1
676 1 19 VAL HA 1 22 LEU HB3 4.500 . 5.500 2.897 2.645 3.011 . 0 0 "[ . 1 . 2]" 1
677 1 19 VAL HA 1 23 VAL H 4.500 . 5.500 3.945 3.725 4.138 . 0 0 "[ . 1 . 2]" 1
678 1 20 ILE HA 1 22 LEU H 4.000 . 5.000 4.107 4.031 4.209 . 0 0 "[ . 1 . 2]" 1
679 1 20 ILE H 1 22 LEU H 4.000 . 5.000 4.033 3.901 4.147 . 0 0 "[ . 1 . 2]" 1
680 1 20 ILE HA 1 23 VAL H 4.000 . 5.000 3.575 3.460 3.726 . 0 0 "[ . 1 . 2]" 1
681 1 20 ILE HA 1 23 VAL HB 4.000 . 5.000 3.634 3.450 3.821 . 0 0 "[ . 1 . 2]" 1
682 1 20 ILE HA 1 23 VAL QG 4.000 . 5.000 1.910 1.789 2.117 0.011 20 0 "[ . 1 . 2]" 1
683 1 20 ILE HA 1 24 LEU H 4.000 . 5.000 3.740 3.587 3.916 . 0 0 "[ . 1 . 2]" 1
684 1 20 ILE MG 1 24 LEU H 4.000 . 5.000 5.391 5.189 5.575 0.575 3 4 "[* + .* 1 . - 2]" 1
685 1 21 LEU HA 1 24 LEU H 4.000 . 5.000 3.678 3.537 3.834 . 0 0 "[ . 1 . 2]" 1
686 1 21 LEU HA 1 24 LEU QD 4.000 . 5.000 3.521 3.039 3.786 . 0 0 "[ . 1 . 2]" 1
687 1 21 LEU HA 1 24 LEU HB3 4.000 . 5.000 4.206 3.973 4.592 . 0 0 "[ . 1 . 2]" 1
688 1 21 LEU HA 1 24 LEU HB2 4.500 . 5.500 2.697 2.531 2.976 . 0 0 "[ . 1 . 2]" 1
689 1 21 LEU HA 1 25 TYR H 4.000 . 5.000 4.336 4.189 4.498 . 0 0 "[ . 1 . 2]" 1
690 1 22 LEU QD 1 25 TYR HB3 4.000 . 5.000 2.950 2.729 3.135 . 0 0 "[ . 1 . 2]" 1
691 1 22 LEU QD 1 25 TYR HB2 4.000 . 5.000 3.513 3.251 3.718 . 0 0 "[ . 1 . 2]" 1
692 1 22 LEU QD 1 25 TYR QD 4.000 . 5.000 3.463 3.195 3.675 . 0 0 "[ . 1 . 2]" 1
693 1 22 LEU HA 1 25 TYR HB3 4.000 . 5.000 2.919 2.699 3.222 . 0 0 "[ . 1 . 2]" 1
694 1 22 LEU HA 1 25 TYR HB2 4.000 . 5.000 2.766 2.570 2.957 . 0 0 "[ . 1 . 2]" 1
695 1 22 LEU HA 1 25 TYR QD 4.000 . 5.000 4.330 4.156 4.524 . 0 0 "[ . 1 . 2]" 1
696 1 23 VAL HA 1 25 TYR H 4.500 . 5.500 3.789 3.701 3.850 . 0 0 "[ . 1 . 2]" 1
697 1 23 VAL HB 1 25 TYR H 4.000 . 5.000 5.245 5.219 5.279 0.279 17 0 "[ . 1 . 2]" 1
698 1 23 VAL HA 1 26 ARG QB 4.000 . 5.000 4.304 3.558 4.785 . 0 0 "[ . 1 . 2]" 1
699 1 24 LEU HA 1 27 GLU H 4.500 . 5.500 4.008 3.699 4.279 . 0 0 "[ . 1 . 2]" 1
700 1 24 LEU QD 1 27 GLU H 4.500 . 5.500 4.884 4.593 5.259 . 0 0 "[ . 1 . 2]" 1
701 1 25 TYR H 1 27 GLU H 3.000 . 3.500 4.557 4.150 4.807 1.307 16 20 [**************-+****] 1
702 1 25 TYR HA 1 28 HIS H 4.000 . 5.000 3.644 3.568 3.853 . 0 0 "[ . 1 . 2]" 1
703 1 25 TYR HA 1 28 HIS HB3 4.000 . 5.000 2.655 2.500 2.875 . 0 0 "[ . 1 . 2]" 1
704 1 25 TYR HA 1 28 HIS HB2 4.500 . 5.500 3.691 3.345 4.137 . 0 0 "[ . 1 . 2]" 1
705 1 25 TYR HA 1 28 HIS HD2 4.500 . 5.500 4.766 4.552 5.021 . 0 0 "[ . 1 . 2]" 1
706 1 25 TYR HA 1 29 LEU H 4.000 . 5.000 4.138 4.046 4.301 . 0 0 "[ . 1 . 2]" 1
707 1 25 TYR QD 1 29 LEU QD 4.000 . 5.000 2.697 2.635 2.774 . 0 0 "[ . 1 . 2]" 1
708 1 25 TYR QE 1 29 LEU QD 4.000 . 5.000 2.338 2.208 2.573 . 0 0 "[ . 1 . 2]" 1
709 1 26 ARG HA 1 29 LEU H 4.000 . 5.000 3.382 3.221 3.754 . 0 0 "[ . 1 . 2]" 1
710 1 26 ARG HA 1 29 LEU QB 4.000 . 5.000 2.715 2.455 3.290 . 0 0 "[ . 1 . 2]" 1
711 1 26 ARG HA 1 29 LEU QD 4.000 . 5.000 2.645 2.343 3.022 . 0 0 "[ . 1 . 2]" 1
712 1 26 ARG QD 1 29 LEU QD 4.000 . 5.000 5.297 4.976 5.588 0.588 16 2 "[ . -1 .+ 2]" 1
713 1 26 ARG HA 1 29 LEU HG 4.000 . 5.000 5.137 4.672 5.356 0.356 18 0 "[ . 1 . 2]" 1
714 1 26 ARG HA 1 30 ASN H 4.000 . 5.000 5.011 4.561 5.225 0.225 6 0 "[ . 1 . 2]" 1
715 1 27 GLU HA 1 29 LEU H 4.500 . 5.500 4.527 4.329 4.696 . 0 0 "[ . 1 . 2]" 1
716 1 27 GLU HA 1 30 ASN QD 4.500 . 5.000 4.000 3.899 4.125 . 0 0 "[ . 1 . 2]" 1
717 1 27 GLU HA 1 30 ASN H 4.000 . 5.000 3.666 3.196 3.947 . 0 0 "[ . 1 . 2]" 1
718 1 27 GLU QG 1 30 ASN H 4.000 . 5.000 4.840 4.393 5.262 0.262 3 0 "[ . 1 . 2]" 1
719 1 27 GLU HA 1 30 ASN QB 4.500 . 5.500 3.087 2.373 3.622 . 0 0 "[ . 1 . 2]" 1
720 1 28 HIS HB2 1 30 ASN H 4.000 . 5.000 5.254 5.170 5.362 0.362 11 0 "[ . 1 . 2]" 1
721 1 28 HIS H 1 30 ASN H 4.000 . 5.000 3.622 3.484 3.754 . 0 0 "[ . 1 . 2]" 1
722 1 30 ASN QD 1 32 ASN H 4.000 . 5.000 3.592 3.036 4.113 . 0 0 "[ . 1 . 2]" 1
723 1 30 ASN QD 1 32 ASN QB 4.000 . 5.000 4.253 3.627 4.713 . 0 0 "[ . 1 . 2]" 1
724 1 30 ASN QB 1 33 GLY H 3.500 . 4.000 2.445 1.855 3.120 . 0 0 "[ . 1 . 2]" 1
725 1 30 ASN QD 1 33 GLY QA 3.000 . 3.500 2.857 1.939 3.692 0.192 9 0 "[ . 1 . 2]" 1
726 1 30 ASN QB 1 33 GLY QA 4.000 . 5.000 2.063 1.788 2.449 0.012 2 0 "[ . 1 . 2]" 1
727 1 31 PRO HA 1 33 GLY H 4.000 . 5.000 4.134 3.587 4.602 . 0 0 "[ . 1 . 2]" 1
728 1 34 HIS HB2 1 36 PHE H 4.000 . 5.000 2.953 2.537 3.226 . 0 0 "[ . 1 . 2]" 1
729 1 34 HIS HB2 1 37 LEU MD2 4.000 . 5.000 4.216 3.368 4.645 . 0 0 "[ . 1 . 2]" 1
730 1 34 HIS HD2 1 37 LEU MD2 4.000 . 5.000 5.224 4.175 5.609 0.609 18 6 "[* *** 1 -. + 2]" 1
731 1 36 PHE QD 1 38 THR MG 4.000 . 5.000 3.620 3.421 3.792 . 0 0 "[ . 1 . 2]" 1
732 1 36 PHE QE 1 38 THR MG 4.000 . 5.000 3.581 3.506 3.744 . 0 0 "[ . 1 . 2]" 1
733 1 36 PHE HZ 1 38 THR MG 4.000 . 5.000 5.566 5.529 5.610 0.610 10 20 [*********+*-********] 1
734 1 37 LEU MD2 1 41 GLU QB 4.500 . 5.500 1.979 1.789 2.213 0.011 16 0 "[ . 1 . 2]" 1
735 1 37 LEU HG 1 41 GLU QB 4.000 . 5.000 4.490 4.331 4.659 . 0 0 "[ . 1 . 2]" 1
736 1 37 LEU HB2 1 41 GLU QB 4.000 . 5.000 4.226 3.906 4.567 . 0 0 "[ . 1 . 2]" 1
737 1 37 LEU HB3 1 41 GLU QB 3.500 . 4.000 2.666 2.346 3.055 . 0 0 "[ . 1 . 2]" 1
738 1 37 LEU MD1 1 41 GLU QB 4.000 . 5.000 3.233 2.990 3.537 . 0 0 "[ . 1 . 2]" 1
739 1 37 LEU HA 1 41 GLU QB 3.500 . 4.000 3.561 3.164 4.059 0.059 7 0 "[ . 1 . 2]" 1
740 1 37 LEU MD2 1 42 LEU H 4.500 . 5.500 4.416 3.813 5.111 . 0 0 "[ . 1 . 2]" 1
741 1 37 LEU MD1 1 42 LEU HA 4.000 . 5.000 3.049 2.601 3.532 . 0 0 "[ . 1 . 2]" 1
742 1 38 THR HA 1 40 GLU H 4.000 . 5.000 4.256 4.021 4.554 . 0 0 "[ . 1 . 2]" 1
743 1 38 THR HB 1 40 GLU H 4.000 . 5.000 2.908 2.669 3.154 . 0 0 "[ . 1 . 2]" 1
744 1 38 THR MG 1 40 GLU H 4.000 . 5.000 4.392 4.198 4.607 . 0 0 "[ . 1 . 2]" 1
745 1 38 THR MG 1 40 GLU HG3 4.000 . 5.000 4.932 4.252 5.567 0.567 16 5 "[- .* *1 .+ *]" 1
746 1 38 THR MG 1 40 GLU HG2 4.500 . 5.500 4.391 3.631 5.116 . 0 0 "[ . 1 . 2]" 1
747 1 38 THR MG 1 41 GLU H 4.500 . 5.500 4.312 4.211 4.446 . 0 0 "[ . 1 . 2]" 1
748 1 38 THR H 1 41 GLU H 4.000 . 5.000 3.486 3.234 3.796 . 0 0 "[ . 1 . 2]" 1
749 1 38 THR H 1 41 GLU QB 4.000 . 5.000 2.165 1.809 2.431 . 0 0 "[ . 1 . 2]" 1
750 1 38 THR MG 1 41 GLU QB 4.000 . 5.000 3.922 3.729 4.107 . 0 0 "[ . 1 . 2]" 1
751 1 39 LYS HA 1 42 LEU H 4.000 . 5.000 3.585 3.365 3.978 . 0 0 "[ . 1 . 2]" 1
752 1 39 LYS HA 1 42 LEU QD 4.000 . 5.000 2.026 1.731 2.638 0.069 19 0 "[ . 1 . 2]" 1
753 1 39 LYS QE 1 43 LEU QD 3.500 . 4.000 3.097 1.823 5.337 1.337 12 3 "[ - 1*+ . 2]" 1
754 1 40 GLU H 1 42 LEU H 4.500 . 5.500 4.044 3.597 4.457 . 0 0 "[ . 1 . 2]" 1
755 1 40 GLU HA 1 43 LEU QD 4.000 . 5.000 2.615 2.040 3.300 . 0 0 "[ . 1 . 2]" 1
756 1 40 GLU HA 1 43 LEU HB2 4.500 . 5.500 3.672 3.424 3.983 . 0 0 "[ . 1 . 2]" 1
757 1 40 GLU HA 1 43 LEU HB3 4.500 . 5.500 5.062 5.004 5.143 . 0 0 "[ . 1 . 2]" 1
758 1 40 GLU HA 1 43 LEU HG 4.000 . 5.000 3.366 2.476 4.526 . 0 0 "[ . 1 . 2]" 1
759 1 42 LEU H 1 44 GLN H 4.000 . 5.000 4.244 3.807 4.768 . 0 0 "[ . 1 . 2]" 1
760 1 43 LEU HA 1 46 CYS H 4.000 . 5.000 3.855 3.587 4.177 . 0 0 "[ . 1 . 2]" 1
761 1 43 LEU HA 1 46 CYS HB2 4.000 . 5.000 4.251 3.330 5.127 0.127 11 0 "[ . 1 . 2]" 1
762 1 43 LEU HA 1 46 CYS HB3 4.000 . 5.000 3.810 3.069 5.042 0.042 16 0 "[ . 1 . 2]" 1
763 1 43 LEU HA 1 47 ALA H 5.000 . 6.000 4.747 4.101 5.042 . 0 0 "[ . 1 . 2]" 1
764 1 44 GLN HA 1 47 ALA H 5.000 . 6.000 3.536 3.422 3.658 . 0 0 "[ . 1 . 2]" 1
765 1 44 GLN HG2 1 47 ALA MB 4.000 . 5.000 4.484 3.767 5.509 0.509 11 1 "[ . 1+ . 2]" 1
766 1 44 GLN HA 1 47 ALA MB 4.500 . 5.500 2.893 2.520 3.255 . 0 0 "[ . 1 . 2]" 1
767 1 45 ARG HA 1 47 ALA MB 4.500 . 5.500 4.496 4.252 4.635 . 0 0 "[ . 1 . 2]" 1
768 1 46 CYS HA 1 49 LYS QG 4.000 . 5.000 4.600 3.100 5.206 0.206 2 0 "[ . 1 . 2]" 1
769 1 47 ALA MB 1 51 PRO HA 4.000 . 5.000 5.468 4.037 5.634 0.634 12 17 "[-******* **+* **** *]" 1
770 1 49 LYS HA 1 53 VAL MG1 4.500 . 5.500 5.650 5.511 5.869 0.369 17 0 "[ . 1 . 2]" 1
771 1 50 SER QB 1 53 VAL MG1 4.500 . 5.500 2.313 1.781 3.282 0.019 17 0 "[ . 1 . 2]" 1
772 1 50 SER QB 1 53 VAL MG2 4.500 . 5.500 4.287 2.142 5.471 . 0 0 "[ . 1 . 2]" 1
773 1 50 SER QB 1 53 VAL QG 4.000 . 5.000 2.287 1.777 3.208 0.023 17 0 "[ . 1 . 2]" 1
774 1 53 VAL MG1 1 57 SER QB 4.500 . 5.500 4.757 3.960 5.396 . 0 0 "[ . 1 . 2]" 1
775 1 53 VAL MG2 1 57 SER QB 4.500 . 5.500 4.162 2.255 5.186 . 0 0 "[ . 1 . 2]" 1
776 1 53 VAL HB 1 57 SER HB3 4.000 . 5.000 4.782 3.590 5.111 0.111 14 0 "[ . 1 . 2]" 1
777 1 53 VAL HB 1 57 SER HB2 4.500 . 5.500 4.498 3.746 5.049 . 0 0 "[ . 1 . 2]" 1
778 1 53 VAL QG 1 57 SER QB 4.500 . 5.500 3.803 2.249 4.533 . 0 0 "[ . 1 . 2]" 1
779 1 54 ALA MB 1 57 SER QB 4.500 . 5.500 2.960 1.784 5.547 0.047 20 0 "[ . 1 . 2]" 1
780 1 59 PRO HB2 1 61 TRP HD1 4.500 . 5.500 3.745 2.407 5.080 . 0 0 "[ . 1 . 2]" 1
781 1 60 PRO HA 1 63 ALA MB 4.500 . 5.500 5.482 4.894 5.990 0.490 20 0 "[ . 1 . 2]" 1
782 1 61 TRP HE3 1 64 LEU QD 4.000 . 5.000 2.819 1.961 4.673 . 0 0 "[ . 1 . 2]" 1
783 1 61 TRP HZ3 1 64 LEU QD 4.500 . 5.500 3.365 2.590 5.536 0.036 12 0 "[ . 1 . 2]" 1
784 1 62 PRO HA 1 65 ARG H 4.500 . 5.500 3.828 3.170 4.103 . 0 0 "[ . 1 . 2]" 1
785 1 62 PRO HA 1 65 ARG QD 4.000 . 5.000 4.107 3.090 4.902 . 0 0 "[ . 1 . 2]" 1
786 1 62 PRO HA 1 65 ARG QB 4.500 . 5.500 4.692 3.711 5.055 . 0 0 "[ . 1 . 2]" 1
787 1 63 ALA MB 1 66 SER QB 4.500 . 5.500 3.334 2.984 3.811 . 0 0 "[ . 1 . 2]" 1
788 1 64 LEU HA 1 67 LEU H 4.500 . 5.500 3.225 3.051 3.403 . 0 0 "[ . 1 . 2]" 1
789 1 64 LEU HA 1 67 LEU QD 4.500 . 5.500 2.208 1.753 2.736 0.047 7 0 "[ . 1 . 2]" 1
790 1 64 LEU QD 1 67 LEU QD 4.500 . 5.500 3.181 2.634 4.040 . 0 0 "[ . 1 . 2]" 1
791 1 64 LEU QD 1 67 LEU QB 4.500 . 5.500 3.271 2.267 4.497 . 0 0 "[ . 1 . 2]" 1
792 1 64 LEU HA 1 67 LEU QB 4.500 . 5.500 2.594 2.157 3.237 . 0 0 "[ . 1 . 2]" 1
793 1 64 LEU QD 1 68 LEU H 4.000 . 5.000 4.288 3.380 4.874 . 0 0 "[ . 1 . 2]" 1
794 1 64 LEU QD 1 68 LEU MD1 4.500 . 5.500 3.722 2.973 5.294 . 0 0 "[ . 1 . 2]" 1
795 1 64 LEU QD 1 68 LEU MD2 4.500 . 5.000 3.318 2.415 3.815 . 0 0 "[ . 1 . 2]" 1
796 1 64 LEU QD 1 68 LEU HG 4.500 . 5.500 3.834 3.283 5.531 0.031 19 0 "[ . 1 . 2]" 1
797 1 64 LEU QD 1 68 LEU HB2 4.500 . 5.500 5.175 3.437 5.457 . 0 0 "[ . 1 . 2]" 1
798 1 65 ARG HA 1 68 LEU H 4.500 . 5.500 3.390 3.124 3.567 . 0 0 "[ . 1 . 2]" 1
799 1 65 ARG H 1 68 LEU MD2 4.500 . 5.500 5.415 3.337 5.595 0.095 4 0 "[ . 1 . 2]" 1
800 1 65 ARG HA 1 68 LEU HB3 4.000 . 5.000 4.333 2.991 4.888 . 0 0 "[ . 1 . 2]" 1
801 1 65 ARG HA 1 68 LEU HB2 4.000 . 5.000 3.147 2.355 3.748 . 0 0 "[ . 1 . 2]" 1
802 1 65 ARG HA 1 68 LEU MD2 4.000 . 5.000 3.904 2.068 4.346 . 0 0 "[ . 1 . 2]" 1
803 1 65 ARG HA 1 69 HIS H 4.000 . 5.000 4.629 4.091 5.059 0.059 7 0 "[ . 1 . 2]" 1
804 1 66 SER HA 1 69 HIS H 4.500 . 5.500 3.612 3.459 3.796 . 0 0 "[ . 1 . 2]" 1
805 1 66 SER QB 1 69 HIS H 4.500 . 5.500 4.937 4.745 5.072 . 0 0 "[ . 1 . 2]" 1
806 1 66 SER HA 1 69 HIS QB 4.500 . 5.500 3.020 2.771 3.264 . 0 0 "[ . 1 . 2]" 1
807 1 66 SER QB 1 69 HIS QB 4.500 . 5.500 4.192 3.894 4.655 . 0 0 "[ . 1 . 2]" 1
808 1 67 LEU HA 1 70 ARG H 4.500 . 5.500 2.946 2.859 3.061 . 0 0 "[ . 1 . 2]" 1
809 1 67 LEU QD 1 70 ARG H 4.000 . 5.000 4.948 4.873 5.030 0.030 7 0 "[ . 1 . 2]" 1
810 1 67 LEU HA 1 70 ARG HB3 4.500 . 5.500 4.302 4.007 4.729 . 0 0 "[ . 1 . 2]" 1
811 1 67 LEU HA 1 70 ARG HB2 4.500 . 5.500 2.709 2.437 3.062 . 0 0 "[ . 1 . 2]" 1
812 1 67 LEU HA 1 70 ARG QD 4.500 . 5.500 3.807 2.633 4.775 . 0 0 "[ . 1 . 2]" 1
813 1 67 LEU HA 1 72 LEU H 4.500 . 5.500 4.266 4.089 4.487 . 0 0 "[ . 1 . 2]" 1
814 1 67 LEU QB 1 72 LEU H 4.500 . 5.500 3.737 3.488 3.858 . 0 0 "[ . 1 . 2]" 1
815 1 67 LEU HA 1 72 LEU QD 4.500 . 5.000 3.903 3.553 4.150 . 0 0 "[ . 1 . 2]" 1
816 1 68 LEU HB2 1 71 ASN H 4.000 . 5.000 5.232 5.103 5.424 0.424 7 0 "[ . 1 . 2]" 1
817 1 68 LEU MD2 1 71 ASN H 4.500 . 5.500 5.236 4.951 5.413 . 0 0 "[ . 1 . 2]" 1
818 1 68 LEU HA 1 73 VAL H 4.500 . 5.500 2.860 2.686 3.054 . 0 0 "[ . 1 . 2]" 1
819 1 68 LEU H 1 73 VAL HB 4.000 . 5.000 5.213 5.136 5.397 0.397 15 0 "[ . 1 . 2]" 1
820 1 68 LEU H 1 73 VAL QG 4.500 . 5.500 2.582 2.475 2.641 . 0 0 "[ . 1 . 2]" 1
821 1 68 LEU HA 1 73 VAL HB 4.500 . 5.500 4.295 4.181 4.684 . 0 0 "[ . 1 . 2]" 1
822 1 68 LEU MD2 1 73 VAL QG 4.500 . 5.500 1.653 1.568 1.771 0.232 15 0 "[ . 1 . 2]" 1
823 1 68 LEU HA 1 73 VAL QG 4.500 . 5.500 1.839 1.760 1.939 0.040 13 0 "[ . 1 . 2]" 1
824 1 70 ARG HB2 1 72 LEU H 4.500 . 5.500 2.945 2.736 3.312 . 0 0 "[ . 1 . 2]" 1
825 1 70 ARG HA 1 72 LEU QD 4.500 . 5.500 3.887 3.594 3.995 . 0 0 "[ . 1 . 2]" 1
826 1 70 ARG QD 1 72 LEU QD 4.500 . 5.500 3.248 2.450 4.162 . 0 0 "[ . 1 . 2]" 1
827 1 70 ARG HB3 1 72 LEU QB 4.500 . 5.500 4.553 4.396 4.676 . 0 0 "[ . 1 . 2]" 1
828 1 70 ARG HB3 1 72 LEU QD 4.000 . 5.000 2.412 2.079 2.598 . 0 0 "[ . 1 . 2]" 1
829 1 71 ASN HA 1 73 VAL H 4.000 . 5.000 3.588 3.399 3.868 . 0 0 "[ . 1 . 2]" 1
830 1 71 ASN HD21 1 73 VAL QG 4.500 . 5.500 5.264 4.463 5.413 . 0 0 "[ . 1 . 2]" 1
831 1 71 ASN H 1 73 VAL H 4.500 . 5.500 3.782 3.397 4.060 . 0 0 "[ . 1 . 2]" 1
832 1 71 ASN HA 1 73 VAL QG 4.000 . 5.000 4.372 3.934 4.527 . 0 0 "[ . 1 . 2]" 1
833 1 73 VAL QG 1 75 ARG H 4.500 . 5.500 4.627 3.680 4.966 . 0 0 "[ . 1 . 2]" 1
834 1 75 ARG HA 1 80 ALA MB 4.500 . 5.500 2.754 2.251 3.378 . 0 0 "[ . 1 . 2]" 1
835 1 75 ARG QB 1 80 ALA MB 4.500 . 5.500 2.337 1.872 3.368 . 0 0 "[ . 1 . 2]" 1
836 1 75 ARG QD 1 80 ALA MB 4.500 . 5.000 3.588 3.275 4.233 . 0 0 "[ . 1 . 2]" 1
837 1 76 THR H 1 81 ARG H 4.000 . 5.000 2.761 2.522 3.045 . 0 0 "[ . 1 . 2]" 1
838 1 76 THR H 1 81 ARG HB2 4.500 . 5.500 4.049 3.688 4.413 . 0 0 "[ . 1 . 2]" 1
839 1 76 THR MG 1 81 ARG HB3 4.000 . 5.000 3.873 3.223 4.266 . 0 0 "[ . 1 . 2]" 1
840 1 76 THR MG 1 81 ARG HB2 4.500 . 5.500 2.501 1.790 2.980 0.010 3 0 "[ . 1 . 2]" 1
841 1 76 THR MG 1 81 ARG QG 4.000 . 5.000 3.266 2.362 3.528 . 0 0 "[ . 1 . 2]" 1
842 1 77 HIS QB 1 80 ALA HA 4.000 . 5.000 4.498 4.258 4.642 . 0 0 "[ . 1 . 2]" 1
843 1 77 HIS QB 1 81 ARG H 4.500 . 5.500 4.444 4.371 4.537 . 0 0 "[ . 1 . 2]" 1
844 1 77 HIS QB 1 81 ARG HD2 4.000 . 5.000 3.675 3.588 3.741 . 0 0 "[ . 1 . 2]" 1
845 1 77 HIS QB 1 81 ARG QG 4.500 . 5.500 4.177 3.989 4.276 . 0 0 "[ . 1 . 2]" 1
846 1 77 HIS HD2 1 81 ARG HD2 4.500 . 5.500 5.216 5.142 5.316 . 0 0 "[ . 1 . 2]" 1
847 1 78 GLN HA 1 80 ALA H 4.500 . 5.500 2.287 1.607 2.734 0.193 9 0 "[ . 1 . 2]" 1
848 1 78 GLN QB 1 80 ALA H 4.500 . 5.500 4.010 3.582 4.434 . 0 0 "[ . 1 . 2]" 1
849 1 78 GLN HA 1 80 ALA MB 4.000 . 5.000 3.125 2.609 3.385 . 0 0 "[ . 1 . 2]" 1
850 1 80 ALA MB 1 82 TYR QD 4.500 . 5.500 3.966 3.591 4.213 . 0 0 "[ . 1 . 2]" 1
851 1 80 ALA MB 1 82 TYR QE 4.500 . 5.500 3.008 2.478 3.350 . 0 0 "[ . 1 . 2]" 1
852 1 84 LEU HA 1 88 GLY H 4.500 . 5.500 4.720 4.604 4.876 . 0 0 "[ . 1 . 2]" 1
853 1 84 LEU HB3 1 88 GLY H 4.000 . 5.000 4.518 4.241 4.785 . 0 0 "[ . 1 . 2]" 1
854 1 84 LEU HA 1 88 GLY HA3 4.500 . 5.500 3.453 3.395 3.516 . 0 0 "[ . 1 . 2]" 1
855 1 84 LEU HA 1 88 GLY HA2 4.500 . 5.500 5.147 5.091 5.198 . 0 0 "[ . 1 . 2]" 1
856 1 84 LEU MD1 1 89 LEU H 4.500 . 5.500 3.866 3.724 4.043 . 0 0 "[ . 1 . 2]" 1
857 1 84 LEU MD2 1 89 LEU H 4.500 . 5.500 3.891 3.552 4.430 . 0 0 "[ . 1 . 2]" 1
858 1 84 LEU MD1 1 89 LEU QD 4.500 . 5.500 2.036 1.809 2.178 . 0 0 "[ . 1 . 2]" 1
859 1 84 LEU MD1 1 89 LEU HA 4.500 . 5.500 2.104 1.768 2.454 0.032 6 0 "[ . 1 . 2]" 1
860 1 84 LEU HB2 1 89 LEU QD 4.000 . 5.000 2.152 1.979 2.383 . 0 0 "[ . 1 . 2]" 1
861 1 85 THR HA 1 87 GLU H 4.000 . 5.000 4.771 4.656 4.885 . 0 0 "[ . 1 . 2]" 1
862 1 85 THR HG1 1 87 GLU H 4.500 . 5.500 4.593 3.854 5.004 . 0 0 "[ . 1 . 2]" 1
863 1 85 THR MG 1 87 GLU H 4.000 . 5.000 4.357 4.272 4.432 . 0 0 "[ . 1 . 2]" 1
864 1 85 THR HG1 1 88 GLY H 4.000 . 5.000 4.086 2.944 4.625 . 0 0 "[ . 1 . 2]" 1
865 1 85 THR MG 1 88 GLY H 4.500 . 5.500 4.839 4.795 4.876 . 0 0 "[ . 1 . 2]" 1
866 1 85 THR H 1 88 GLY H 4.000 . 5.000 3.447 3.262 3.627 . 0 0 "[ . 1 . 2]" 1
867 1 85 THR H 1 88 GLY HA3 4.000 . 5.000 3.332 3.111 3.459 . 0 0 "[ . 1 . 2]" 1
868 1 85 THR H 1 89 LEU H 3.000 . 3.500 4.257 3.858 4.504 1.004 16 18 "[****- ********.+****]" 1
869 1 86 PRO HA 1 88 GLY H 4.000 . 5.000 4.712 4.473 4.947 . 0 0 "[ . 1 . 2]" 1
870 1 86 PRO HA 1 89 LEU H 4.000 . 5.000 3.843 3.705 4.102 . 0 0 "[ . 1 . 2]" 1
871 1 86 PRO HA 1 89 LEU HB3 4.500 . 5.500 3.551 3.353 3.679 . 0 0 "[ . 1 . 2]" 1
872 1 86 PRO HA 1 89 LEU HB2 4.500 . 5.500 3.038 2.860 3.917 . 0 0 "[ . 1 . 2]" 1
873 1 86 PRO HA 1 89 LEU QD 4.000 . 5.000 4.196 3.747 4.478 . 0 0 "[ . 1 . 2]" 1
874 1 86 PRO HA 1 90 GLU H 4.000 . 5.000 4.148 4.008 4.230 . 0 0 "[ . 1 . 2]" 1
875 1 87 GLU HA 1 90 GLU H 4.500 . 5.500 3.625 3.569 3.696 . 0 0 "[ . 1 . 2]" 1
876 1 87 GLU HA 1 90 GLU HG3 4.500 . 5.500 3.418 2.325 3.741 . 0 0 "[ . 1 . 2]" 1
877 1 87 GLU HA 1 90 GLU HG2 4.500 . 5.500 4.575 2.145 5.082 . 0 0 "[ . 1 . 2]" 1
878 1 87 GLU HA 1 91 LEU H 4.000 . 5.000 3.979 3.895 4.041 . 0 0 "[ . 1 . 2]" 1
879 1 88 GLY HA3 1 90 GLU H 4.000 . 5.000 5.207 5.099 5.281 0.281 9 0 "[ . 1 . 2]" 1
880 1 88 GLY HA2 1 90 GLU H 4.000 . 5.000 4.879 4.754 4.981 . 0 0 "[ . 1 . 2]" 1
881 1 88 GLY H 1 90 GLU H 4.000 . 5.000 4.432 4.337 4.506 . 0 0 "[ . 1 . 2]" 1
882 1 88 GLY HA3 1 91 LEU H 4.000 . 5.000 4.797 4.645 4.946 . 0 0 "[ . 1 . 2]" 1
883 1 88 GLY HA2 1 91 LEU H 4.500 . 5.500 3.563 3.412 3.781 . 0 0 "[ . 1 . 2]" 1
884 1 88 GLY HA3 1 92 ALA H 4.500 . 5.500 4.621 4.521 4.749 . 0 0 "[ . 1 . 2]" 1
885 1 89 LEU HA 1 92 ALA H 4.500 . 5.500 3.652 3.403 3.786 . 0 0 "[ . 1 . 2]" 1
886 1 89 LEU H 1 92 ALA MB 4.500 . 5.500 4.504 4.365 4.620 . 0 0 "[ . 1 . 2]" 1
887 1 89 LEU HA 1 92 ALA MB 4.500 . 5.500 2.695 2.351 2.899 . 0 0 "[ . 1 . 2]" 1
888 1 89 LEU QD 1 92 ALA MB 4.500 . 5.000 3.041 2.707 3.267 . 0 0 "[ . 1 . 2]" 1
889 1 89 LEU HA 1 93 GLN H 4.000 . 5.000 4.258 3.894 4.465 . 0 0 "[ . 1 . 2]" 1
890 1 89 LEU QD 1 93 GLN H 4.500 . 5.500 3.964 3.695 4.197 . 0 0 "[ . 1 . 2]" 1
891 1 89 LEU QD 1 93 GLN QG 4.500 . 5.500 2.929 2.506 4.610 . 0 0 "[ . 1 . 2]" 1
892 1 89 LEU QD 1 93 GLN HB3 4.500 . 5.500 5.056 4.300 5.341 . 0 0 "[ . 1 . 2]" 1
893 1 89 LEU QD 1 93 GLN HB2 4.500 . 5.500 4.414 2.919 4.853 . 0 0 "[ . 1 . 2]" 1
894 1 90 GLU H 1 92 ALA H 4.500 . 5.500 4.226 4.196 4.300 . 0 0 "[ . 1 . 2]" 1
895 1 90 GLU H 1 92 ALA MB 4.500 . 5.500 4.825 4.714 4.946 . 0 0 "[ . 1 . 2]" 1
896 1 90 GLU HA 1 93 GLN H 4.500 . 5.500 3.542 3.308 3.707 . 0 0 "[ . 1 . 2]" 1
897 1 90 GLU HA 1 94 LYS H 4.500 . 5.500 4.568 4.296 4.638 . 0 0 "[ . 1 . 2]" 1
898 1 90 GLU HG3 1 94 LYS QE 4.000 . 5.000 5.042 3.585 5.287 0.287 8 0 "[ . 1 . 2]" 1
899 1 90 GLU HG2 1 94 LYS QE 4.000 . 5.000 4.791 4.345 5.225 0.225 16 0 "[ . 1 . 2]" 1
900 1 91 LEU HA 1 93 GLN H 4.000 . 5.000 4.263 4.186 4.365 . 0 0 "[ . 1 . 2]" 1
901 1 91 LEU H 1 93 GLN H 4.000 . 5.000 3.980 3.800 4.092 . 0 0 "[ . 1 . 2]" 1
902 1 91 LEU HA 1 94 LYS H 4.500 . 5.500 3.489 3.381 3.672 . 0 0 "[ . 1 . 2]" 1
903 1 91 LEU MD2 1 94 LYS H 4.500 . 5.500 4.469 4.200 4.808 . 0 0 "[ . 1 . 2]" 1
904 1 91 LEU HA 1 94 LYS QE 4.500 . 5.500 2.433 2.184 3.371 . 0 0 "[ . 1 . 2]" 1
905 1 91 LEU HA 1 94 LYS HG3 4.500 . 5.500 2.556 2.378 2.854 . 0 0 "[ . 1 . 2]" 1
906 1 91 LEU HA 1 94 LYS HG2 4.500 . 5.500 3.945 2.130 4.300 . 0 0 "[ . 1 . 2]" 1
907 1 91 LEU MD2 1 94 LYS HB3 4.500 . 5.500 4.393 3.694 5.523 0.023 10 0 "[ . 1 . 2]" 1
908 1 91 LEU MD2 1 94 LYS HB2 4.500 . 5.500 3.175 2.570 4.048 . 0 0 "[ . 1 . 2]" 1
909 1 91 LEU MD2 1 94 LYS QE 4.500 . 5.500 3.931 2.698 5.346 . 0 0 "[ . 1 . 2]" 1
910 1 91 LEU HA 1 95 LEU H 4.500 . 5.500 4.435 4.218 4.714 . 0 0 "[ . 1 . 2]" 1
911 1 91 LEU MD2 1 95 LEU H 4.500 . 5.500 3.961 3.562 5.058 . 0 0 "[ . 1 . 2]" 1
912 1 91 LEU HB3 1 95 LEU MD2 4.000 . 5.000 3.916 3.408 4.627 . 0 0 "[ . 1 . 2]" 1
913 1 91 LEU HB2 1 95 LEU MD2 4.000 . 5.000 5.197 4.443 5.562 0.562 9 5 "[ . *+** - 2]" 1
914 1 91 LEU MD1 1 95 LEU MD2 4.500 . 5.500 4.045 3.813 4.327 . 0 0 "[ . 1 . 2]" 1
915 1 91 LEU MD2 1 95 LEU MD1 4.000 . 5.000 1.924 1.763 3.088 0.037 7 0 "[ . 1 . 2]" 1
916 1 91 LEU MD2 1 95 LEU MD2 4.500 . 5.500 3.045 1.977 4.626 . 0 0 "[ . 1 . 2]" 1
917 1 92 ALA HA 1 94 LYS H 4.000 . 5.000 4.297 4.207 4.383 . 0 0 "[ . 1 . 2]" 1
918 1 92 ALA H 1 94 LYS H 4.000 . 5.000 4.179 4.129 4.243 . 0 0 "[ . 1 . 2]" 1
919 1 92 ALA HA 1 95 LEU H 4.000 . 5.000 3.077 2.983 3.147 . 0 0 "[ . 1 . 2]" 1
920 1 92 ALA H 1 95 LEU MD2 4.000 . 5.000 4.577 4.409 4.719 . 0 0 "[ . 1 . 2]" 1
921 1 92 ALA HA 1 95 LEU HB3 4.000 . 5.000 4.024 3.913 4.151 . 0 0 "[ . 1 . 2]" 1
922 1 92 ALA HA 1 95 LEU HB2 4.500 . 5.500 2.384 2.287 2.491 . 0 0 "[ . 1 . 2]" 1
923 1 92 ALA HA 1 95 LEU MD2 4.000 . 5.000 2.697 2.357 2.917 . 0 0 "[ . 1 . 2]" 1
924 1 92 ALA MB 1 95 LEU MD2 4.000 . 5.000 3.705 3.386 3.917 . 0 0 "[ . 1 . 2]" 1
925 1 92 ALA HA 1 95 LEU HA 4.000 . 5.000 5.140 5.018 5.231 0.231 13 0 "[ . 1 . 2]" 1
926 1 92 ALA HA 1 95 LEU HG 4.000 . 5.000 4.822 4.542 4.988 . 0 0 "[ . 1 . 2]" 1
927 1 92 ALA HA 1 96 ALA H 4.000 . 5.000 3.959 3.774 4.137 . 0 0 "[ . 1 . 2]" 1
928 1 92 ALA MB 1 96 ALA H 4.000 . 5.000 4.443 4.351 4.544 . 0 0 "[ . 1 . 2]" 1
929 1 93 GLN H 1 95 LEU H 4.000 . 5.000 4.124 4.017 4.273 . 0 0 "[ . 1 . 2]" 1
930 1 93 GLN HA 1 96 ALA H 4.000 . 5.000 3.611 3.386 3.688 . 0 0 "[ . 1 . 2]" 1
931 1 93 GLN H 1 96 ALA H 4.000 . 5.000 4.686 4.502 4.794 . 0 0 "[ . 1 . 2]" 1
932 1 93 GLN HA 1 96 ALA MB 4.500 . 5.500 2.610 2.357 2.821 . 0 0 "[ . 1 . 2]" 1
933 1 93 GLN QG 1 96 ALA MB 4.500 . 5.500 4.092 3.535 4.323 . 0 0 "[ . 1 . 2]" 1
934 1 93 GLN HA 1 97 GLU H 4.500 . 5.500 4.677 4.038 4.960 . 0 0 "[ . 1 . 2]" 1
935 1 94 LYS HB3 1 96 ALA H 4.500 . 5.500 5.343 5.300 5.440 . 0 0 "[ . 1 . 2]" 1
936 1 94 LYS H 1 96 ALA H 4.000 . 5.000 3.971 3.933 4.009 . 0 0 "[ . 1 . 2]" 1
937 1 94 LYS H 1 96 ALA MB 4.000 . 5.000 4.536 4.432 4.624 . 0 0 "[ . 1 . 2]" 1
938 1 95 LEU HA 1 98 SER H 4.000 . 5.000 3.862 3.713 3.948 . 0 0 "[ . 1 . 2]" 1
939 1 95 LEU MD1 1 98 SER QB 4.000 . 5.000 5.157 4.864 5.400 0.400 20 0 "[ . 1 . 2]" 1
940 1 95 LEU HA 1 98 SER QB 4.000 . 5.000 3.514 3.186 3.685 . 0 0 "[ . 1 . 2]" 1
941 1 96 ALA H 1 98 SER H 4.000 . 5.000 4.535 4.342 4.647 . 0 0 "[ . 1 . 2]" 1
942 1 96 ALA HA 1 99 GLU H 4.500 . 5.500 3.253 3.158 3.461 . 0 0 "[ . 1 . 2]" 1
943 1 96 ALA MB 1 99 GLU H 4.000 . 5.000 4.257 4.168 4.405 . 0 0 "[ . 1 . 2]" 1
944 1 96 ALA HA 1 99 GLU HB3 4.000 . 5.000 4.452 2.394 4.917 . 0 0 "[ . 1 . 2]" 1
945 1 96 ALA HA 1 99 GLU HB2 4.000 . 5.000 3.059 2.854 3.815 . 0 0 "[ . 1 . 2]" 1
946 1 96 ALA HA 1 99 GLU QG 4.000 . 5.000 2.786 2.533 3.740 . 0 0 "[ . 1 . 2]" 1
947 1 96 ALA HA 1 101 LEU QD 4.500 . 5.500 3.902 3.513 5.175 . 0 0 "[ . 1 . 2]" 1
948 1 96 ALA HA 1 101 LEU QB 4.500 . 5.500 4.985 4.407 5.154 . 0 0 "[ . 1 . 2]" 1
949 1 97 GLU H 1 99 GLU H 4.500 . 5.500 4.028 3.922 4.137 . 0 0 "[ . 1 . 2]" 1
950 1 97 GLU HA 1 101 LEU H 4.500 . 5.500 3.995 3.652 4.244 . 0 0 "[ . 1 . 2]" 1
951 1 97 GLU H 1 101 LEU QD 4.500 . 5.500 4.480 3.937 4.791 . 0 0 "[ . 1 . 2]" 1
952 1 99 GLU H 1 101 LEU QB 4.000 . 5.000 5.172 5.113 5.283 0.283 10 0 "[ . 1 . 2]" 1
953 1 99 GLU H 1 101 LEU QD 4.000 . 5.000 5.286 4.931 5.424 0.424 15 0 "[ . 1 . 2]" 1
954 1 99 GLU QG 1 101 LEU QD 3.500 . 4.000 5.057 4.930 5.140 1.140 10 20 [***-*****+**********] 1
955 1 99 GLU HA 1 102 SER QB 4.000 . 5.000 5.543 5.342 5.671 0.671 10 18 "[*********+** ***- **]" 1
956 1 99 GLU HB3 1 103 LEU QD 4.000 . 5.000 2.867 2.540 3.355 . 0 0 "[ . 1 . 2]" 1
957 1 99 GLU HB2 1 103 LEU QD 4.000 . 5.000 2.143 1.746 3.866 0.054 7 0 "[ . 1 . 2]" 1
958 1 102 SER HA 1 104 LEU H 4.500 . 5.500 5.054 4.895 5.139 . 0 0 "[ . 1 . 2]" 1
959 1 103 LEU HA 1 106 VAL MG1 4.500 . 5.500 3.744 3.035 5.502 0.002 13 0 "[ . 1 . 2]" 1
960 1 103 LEU HA 1 106 VAL MG2 4.500 . 5.500 5.328 3.714 5.620 0.120 15 0 "[ . 1 . 2]" 1
961 1 9 TYR QE 1 17 ALA MB 4.000 . 5.000 3.281 2.828 4.002 . 0 0 "[ . 1 . 2]" 1
962 1 9 TYR QE 1 21 LEU QD 4.000 . 5.000 3.269 2.505 4.540 . 0 0 "[ . 1 . 2]" 1
963 1 9 TYR QE 1 67 LEU QD 4.000 . 5.000 3.499 2.875 4.334 . 0 0 "[ . 1 . 2]" 1
964 1 9 TYR QE 1 70 ARG QD 4.500 . 5.500 4.430 3.520 5.490 . 0 0 "[ . 1 . 2]" 1
965 1 9 TYR QD 1 70 ARG QD 4.500 . 5.500 4.599 3.975 5.459 . 0 0 "[ . 1 . 2]" 1
966 1 9 TYR QD 1 72 LEU QD 4.500 . 5.500 3.030 2.741 3.556 . 0 0 "[ . 1 . 2]" 1
967 1 9 TYR QE 1 72 LEU QD 4.000 . 5.000 3.090 2.738 3.831 . 0 0 "[ . 1 . 2]" 1
968 1 9 TYR QB 1 72 LEU QD 4.000 . 4.000 3.602 3.412 3.933 . 0 0 "[ . 1 . 2]" 1
969 1 9 TYR QD 1 91 LEU MD1 4.500 . 5.500 2.127 1.796 2.644 0.004 2 0 "[ . 1 . 2]" 1
970 1 9 TYR QE 1 91 LEU MD1 4.500 . 5.500 3.254 2.585 3.804 . 0 0 "[ . 1 . 2]" 1
971 1 9 TYR HA 1 91 LEU MD1 4.500 . 5.500 4.965 4.569 5.516 0.016 9 0 "[ . 1 . 2]" 1
972 1 10 TRP HA 1 91 LEU MD1 4.500 . 5.500 3.555 3.004 4.443 . 0 0 "[ . 1 . 2]" 1
973 1 10 TRP HA 1 91 LEU MD2 4.500 . 5.500 3.441 2.651 4.718 . 0 0 "[ . 1 . 2]" 1
974 1 10 TRP HE3 1 91 LEU MD2 4.500 . 5.500 3.178 2.169 5.343 . 0 0 "[ . 1 . 2]" 1
975 1 10 TRP HZ3 1 91 LEU MD2 4.000 . 5.000 3.402 2.254 5.403 0.403 13 0 "[ . 1 . 2]" 1
976 1 10 TRP HZ3 1 94 LYS H 4.500 . 5.500 4.923 4.631 5.024 . 0 0 "[ . 1 . 2]" 1
977 1 10 TRP HH2 1 94 LYS HB3 4.500 . 5.500 2.518 2.199 2.631 . 0 0 "[ . 1 . 2]" 1
978 1 10 TRP HH2 1 94 LYS HB2 4.000 . 5.000 3.141 2.713 3.498 . 0 0 "[ . 1 . 2]" 1
979 1 10 TRP HH2 1 94 LYS HG2 4.000 . 5.000 4.947 4.615 5.056 0.056 9 0 "[ . 1 . 2]" 1
980 1 10 TRP HZ3 1 94 LYS QD 4.000 . 5.000 2.223 1.895 4.029 . 0 0 "[ . 1 . 2]" 1
981 1 10 TRP HZ3 1 94 LYS HG3 4.000 . 5.000 3.940 2.671 4.165 . 0 0 "[ . 1 . 2]" 1
982 1 10 TRP HH2 1 94 LYS HA 4.000 . 5.000 4.174 3.910 4.495 . 0 0 "[ . 1 . 2]" 1
983 1 10 TRP HZ2 1 94 LYS QB 4.000 . 5.000 4.553 4.344 4.700 . 0 0 "[ . 1 . 2]" 1
984 1 10 TRP HZ3 1 94 LYS HB2 4.500 . 5.500 2.379 2.082 2.564 . 0 0 "[ . 1 . 2]" 1
985 1 10 TRP HH2 1 95 LEU H 4.500 . 5.500 4.430 3.993 4.783 . 0 0 "[ . 1 . 2]" 1
986 1 10 TRP HE1 1 95 LEU MD1 4.000 . 5.000 5.386 4.241 5.527 0.527 11 9 "[ ***. 1+* *-* *]" 1
987 1 10 TRP HE3 1 95 LEU MD1 4.000 . 5.000 3.914 3.774 4.179 . 0 0 "[ . 1 . 2]" 1
988 1 10 TRP HH2 1 95 LEU MD1 4.000 . 5.000 3.190 2.687 3.577 . 0 0 "[ . 1 . 2]" 1
989 1 10 TRP HH2 1 95 LEU HG 4.000 . 5.000 4.842 4.222 5.042 0.042 9 0 "[ . 1 . 2]" 1
990 1 10 TRP HZ2 1 95 LEU MD1 4.500 . 5.500 4.180 3.185 4.501 . 0 0 "[ . 1 . 2]" 1
991 1 10 TRP HH2 1 95 LEU HA 4.000 . 5.000 3.637 3.183 3.881 . 0 0 "[ . 1 . 2]" 1
992 1 10 TRP HZ2 1 95 LEU HA 4.500 . 5.500 4.294 3.382 4.887 . 0 0 "[ . 1 . 2]" 1
993 1 10 TRP HA 1 95 LEU MD1 4.500 . 5.500 4.285 3.985 4.672 . 0 0 "[ . 1 . 2]" 1
994 1 10 TRP HH2 1 98 SER QB 4.500 . 5.500 4.761 4.387 5.016 . 0 0 "[ . 1 . 2]" 1
995 1 10 TRP HZ2 1 98 SER QB 4.500 . 5.500 4.325 3.679 5.005 . 0 0 "[ . 1 . 2]" 1
996 1 11 PRO HA 1 17 ALA MB 4.000 . 5.000 4.713 3.243 5.057 0.057 15 0 "[ . 1 . 2]" 1
997 1 11 PRO HB2 1 17 ALA MB 4.000 . 5.000 3.844 3.359 4.346 . 0 0 "[ . 1 . 2]" 1
998 1 11 PRO HB2 1 18 ARG H 4.000 . 5.000 3.768 3.255 4.217 . 0 0 "[ . 1 . 2]" 1
999 1 11 PRO HB3 1 18 ARG HA 4.500 . 5.500 4.625 3.116 5.026 . 0 0 "[ . 1 . 2]" 1
1000 1 11 PRO QG 1 18 ARG HA 4.500 . 5.500 3.054 2.260 3.585 . 0 0 "[ . 1 . 2]" 1
1001 1 11 PRO QG 1 21 LEU QD 4.500 . 5.500 3.217 2.502 3.511 . 0 0 "[ . 1 . 2]" 1
1002 1 11 PRO HD3 1 91 LEU MD1 4.500 . 5.500 2.962 1.782 3.977 0.018 9 0 "[ . 1 . 2]" 1
1003 1 11 PRO HD3 1 91 LEU MD2 4.500 . 5.500 3.508 2.826 4.384 . 0 0 "[ . 1 . 2]" 1
1004 1 11 PRO HD2 1 91 LEU MD1 4.500 . 5.500 3.622 2.854 4.739 . 0 0 "[ . 1 . 2]" 1
1005 1 11 PRO HD2 1 91 LEU MD2 4.000 . 5.000 3.275 2.581 4.773 . 0 0 "[ . 1 . 2]" 1
1006 1 11 PRO HD2 1 95 LEU MD1 4.000 . 5.000 3.181 2.444 3.676 . 0 0 "[ . 1 . 2]" 1
1007 1 11 PRO HD2 1 95 LEU MD2 4.000 . 5.000 3.594 3.114 4.113 . 0 0 "[ . 1 . 2]" 1
1008 1 11 PRO QG 1 95 LEU MD1 4.000 . 5.000 4.062 2.677 4.781 . 0 0 "[ . 1 . 2]" 1
1009 1 11 PRO QG 1 95 LEU MD2 4.000 . 5.000 3.282 1.842 3.946 . 0 0 "[ . 1 . 2]" 1
1010 1 11 PRO HD3 1 95 LEU MD1 4.000 . 5.000 4.286 2.920 4.771 . 0 0 "[ . 1 . 2]" 1
1011 1 14 HIS HA 1 49 LYS QD 4.000 . 5.000 4.140 4.075 4.240 . 0 0 "[ . 1 . 2]" 1
1012 1 16 GLY QA 1 63 ALA MB 4.000 . 5.000 3.633 3.098 4.082 . 0 0 "[ . 1 . 2]" 1
1013 1 17 ALA H 1 63 ALA MB 4.000 . 5.000 3.705 3.462 3.995 . 0 0 "[ . 1 . 2]" 1
1014 1 17 ALA MB 1 63 ALA HA 4.000 . 5.000 5.645 5.602 5.741 0.741 20 20 [***-***************+] 1
1015 1 17 ALA HA 1 63 ALA MB 4.000 . 5.000 4.004 3.627 4.713 . 0 0 "[ . 1 . 2]" 1
1016 1 17 ALA MB 1 66 SER QB 4.000 . 5.000 4.997 4.484 5.442 0.442 14 0 "[ . 1 . 2]" 1
1017 1 17 ALA H 1 67 LEU QD 4.000 . 5.000 3.773 3.559 3.951 . 0 0 "[ . 1 . 2]" 1
1018 1 17 ALA HA 1 67 LEU QD 3.500 . 4.000 2.486 2.293 2.629 . 0 0 "[ . 1 . 2]" 1
1019 1 17 ALA MB 1 67 LEU HG 4.500 . 5.500 3.304 3.070 3.527 . 0 0 "[ . 1 . 2]" 1
1020 1 17 ALA MB 1 67 LEU QD 4.500 . 5.500 1.680 1.588 1.886 0.212 5 0 "[ . 1 . 2]" 1
1021 1 17 ALA MB 1 67 LEU HA 4.500 . 5.500 5.152 4.971 5.311 . 0 0 "[ . 1 . 2]" 1
1022 1 17 ALA HA 1 67 LEU HG 4.000 . 5.000 4.881 4.578 5.078 0.078 3 0 "[ . 1 . 2]" 1
1023 1 18 ARG H 1 67 LEU QD 4.000 . 5.000 4.599 4.463 4.770 . 0 0 "[ . 1 . 2]" 1
1024 1 18 ARG HA 1 95 LEU MD2 4.000 . 5.000 2.061 1.876 2.445 . 0 0 "[ . 1 . 2]" 1
1025 1 18 ARG QG 1 95 LEU MD2 4.500 . 5.000 2.047 1.744 3.310 0.056 20 0 "[ . 1 . 2]" 1
1026 1 18 ARG QG 1 95 LEU MD1 4.000 . 5.000 3.689 3.112 4.759 . 0 0 "[ . 1 . 2]" 1
1027 1 19 VAL QG 1 46 CYS HB3 4.500 . 5.500 3.203 2.096 3.997 . 0 0 "[ . 1 . 2]" 1
1028 1 19 VAL QG 1 46 CYS HA 4.000 . 5.000 2.931 2.499 3.340 . 0 0 "[ . 1 . 2]" 1
1029 1 19 VAL QG 1 46 CYS HB2 4.500 . 5.500 2.649 1.937 3.726 . 0 0 "[ . 1 . 2]" 1
1030 1 19 VAL QG 1 49 LYS QE 4.500 . 5.500 2.439 1.766 3.620 0.034 1 0 "[ . 1 . 2]" 1
1031 1 19 VAL QG 1 49 LYS HB3 4.500 . 5.500 3.117 2.274 3.506 . 0 0 "[ . 1 . 2]" 1
1032 1 19 VAL QG 1 49 LYS HB2 4.500 . 5.500 2.940 2.553 3.666 . 0 0 "[ . 1 . 2]" 1
1033 1 19 VAL QG 1 49 LYS QD 4.500 . 5.500 1.756 1.519 2.738 0.281 18 0 "[ . 1 . 2]" 1
1034 1 19 VAL QG 1 49 LYS QG 4.500 . 5.500 2.594 1.597 3.006 0.203 19 0 "[ . 1 . 2]" 1
1035 1 19 VAL QG 1 50 SER QB 4.500 . 5.500 4.501 3.208 4.982 . 0 0 "[ . 1 . 2]" 1
1036 1 20 ILE HA 1 42 LEU QD 4.500 . 5.500 3.619 3.143 4.072 . 0 0 "[ . 1 . 2]" 1
1037 1 20 ILE HB 1 61 TRP HZ2 4.500 . 5.500 5.271 5.156 5.366 . 0 0 "[ . 1 . 2]" 1
1038 1 20 ILE MD 1 63 ALA MB 4.000 . 5.000 3.563 3.066 4.547 . 0 0 "[ . 1 . 2]" 1
1039 1 20 ILE MD 1 64 LEU QD 4.000 . 5.000 2.158 1.640 3.139 0.160 14 0 "[ . 1 . 2]" 1
1040 1 20 ILE MD 1 64 LEU HA 4.000 . 5.000 2.500 2.187 2.851 . 0 0 "[ . 1 . 2]" 1
1041 1 20 ILE MD 1 64 LEU QB 4.500 . 5.500 3.004 1.782 4.040 0.018 15 0 "[ . 1 . 2]" 1
1042 1 20 ILE H 1 67 LEU QD 4.000 . 5.000 4.766 4.626 4.885 . 0 0 "[ . 1 . 2]" 1
1043 1 20 ILE MD 1 67 LEU QD 4.500 . 5.500 1.652 1.612 1.761 0.188 7 0 "[ . 1 . 2]" 1
1044 1 20 ILE MG 1 67 LEU QD 4.500 . 5.500 3.740 3.397 3.858 . 0 0 "[ . 1 . 2]" 1
1045 1 20 ILE MG 1 67 LEU QB 4.000 . 5.000 5.322 5.096 5.379 0.379 2 0 "[ . 1 . 2]" 1
1046 1 20 ILE HB 1 67 LEU QD 4.000 . 5.000 4.253 4.092 4.600 . 0 0 "[ . 1 . 2]" 1
1047 1 21 LEU H 1 67 LEU QD 4.000 . 5.000 3.600 3.391 3.757 . 0 0 "[ . 1 . 2]" 1
1048 1 21 LEU QD 1 67 LEU QB 4.500 . 5.500 3.013 2.804 3.195 . 0 0 "[ . 1 . 2]" 1
1049 1 21 LEU QD 1 67 LEU QD 4.500 . 5.500 1.719 1.644 1.786 0.156 7 0 "[ . 1 . 2]" 1
1050 1 21 LEU HA 1 84 LEU MD2 4.500 . 5.500 1.850 1.752 1.960 0.048 18 0 "[ . 1 . 2]" 1
1051 1 21 LEU HB2 1 88 GLY HA3 4.500 . 5.500 5.322 5.226 5.375 . 0 0 "[ . 1 . 2]" 1
1052 1 21 LEU QD 1 88 GLY HA2 4.500 . 5.500 2.436 2.102 2.646 . 0 0 "[ . 1 . 2]" 1
1053 1 21 LEU QD 1 91 LEU H 4.500 . 5.500 4.794 4.613 5.038 . 0 0 "[ . 1 . 2]" 1
1054 1 21 LEU QD 1 91 LEU HB2 4.500 . 5.500 3.716 3.118 4.274 . 0 0 "[ . 1 . 2]" 1
1055 1 21 LEU QD 1 91 LEU HB3 4.500 . 5.500 3.082 2.759 3.360 . 0 0 "[ . 1 . 2]" 1
1056 1 21 LEU QD 1 91 LEU MD1 4.000 . 5.000 2.642 2.175 2.852 . 0 0 "[ . 1 . 2]" 1
1057 1 21 LEU QD 1 91 LEU MD2 4.500 . 5.500 3.246 1.776 4.311 0.024 3 0 "[ . 1 . 2]" 1
1058 1 21 LEU QD 1 92 ALA H 4.500 . 5.000 4.196 3.914 4.352 . 0 0 "[ . 1 . 2]" 1
1059 1 21 LEU HA 1 92 ALA MB 4.000 . 5.000 3.946 3.564 4.174 . 0 0 "[ . 1 . 2]" 1
1060 1 21 LEU QD 1 92 ALA MB 4.500 . 5.500 3.635 3.307 3.814 . 0 0 "[ . 1 . 2]" 1
1061 1 21 LEU QD 1 92 ALA HA 4.500 . 5.500 4.389 4.196 4.550 . 0 0 "[ . 1 . 2]" 1
1062 1 21 LEU HB2 1 92 ALA MB 4.500 . 5.500 3.448 2.933 3.750 . 0 0 "[ . 1 . 2]" 1
1063 1 21 LEU QD 1 95 LEU MD1 4.500 . 5.500 3.877 3.568 4.265 . 0 0 "[ . 1 . 2]" 1
1064 1 21 LEU QD 1 95 LEU MD2 4.500 . 5.500 2.962 2.676 3.312 . 0 0 "[ . 1 . 2]" 1
1065 1 21 LEU HB2 1 95 LEU MD2 4.500 . 5.500 2.662 2.423 3.003 . 0 0 "[ . 1 . 2]" 1
1066 1 22 LEU QD 1 49 LYS QE 4.500 . 5.500 2.058 1.801 3.318 . 0 0 "[ . 1 . 2]" 1
1067 1 22 LEU H 1 84 LEU MD2 4.500 . 5.500 4.477 4.310 4.661 . 0 0 "[ . 1 . 2]" 1
1068 1 22 LEU HG 1 92 ALA MB 4.500 . 5.500 4.988 4.801 5.177 . 0 0 "[ . 1 . 2]" 1
1069 1 22 LEU QD 1 92 ALA HA 4.500 . 5.500 3.425 3.110 3.632 . 0 0 "[ . 1 . 2]" 1
1070 1 22 LEU QD 1 92 ALA MB 4.500 . 5.500 3.066 2.859 3.195 . 0 0 "[ . 1 . 2]" 1
1071 1 22 LEU QD 1 95 LEU H 4.500 . 5.500 3.772 3.539 4.007 . 0 0 "[ . 1 . 2]" 1
1072 1 22 LEU QD 1 95 LEU HA 4.500 . 5.500 3.738 3.517 3.973 . 0 0 "[ . 1 . 2]" 1
1073 1 22 LEU HA 1 96 ALA H 4.000 . 5.000 5.028 4.926 5.087 0.087 2 0 "[ . 1 . 2]" 1
1074 1 22 LEU QD 1 96 ALA H 4.000 . 5.000 2.647 2.398 2.854 . 0 0 "[ . 1 . 2]" 1
1075 1 22 LEU QD 1 96 ALA MB 4.500 . 5.500 2.258 2.126 2.519 . 0 0 "[ . 1 . 2]" 1
1076 1 22 LEU QD 1 96 ALA HA 4.500 . 5.000 2.097 1.940 2.212 . 0 0 "[ . 1 . 2]" 1
1077 1 22 LEU QD 1 97 GLU H 4.500 . 5.500 4.363 4.166 4.535 . 0 0 "[ . 1 . 2]" 1
1078 1 22 LEU QD 1 99 GLU H 4.000 . 5.000 4.130 3.819 4.275 . 0 0 "[ . 1 . 2]" 1
1079 1 22 LEU QD 1 99 GLU QG 4.000 . 5.000 1.868 1.753 2.458 0.047 19 0 "[ . 1 . 2]" 1
1080 1 23 VAL HB 1 42 LEU QD 4.500 . 5.500 4.642 4.313 5.075 . 0 0 "[ . 1 . 2]" 1
1081 1 23 VAL QG 1 42 LEU HA 4.500 . 5.500 3.224 2.937 3.620 . 0 0 "[ . 1 . 2]" 1
1082 1 23 VAL QG 1 42 LEU QD 4.500 . 5.500 2.306 2.039 2.627 . 0 0 "[ . 1 . 2]" 1
1083 1 23 VAL QG 1 42 LEU HG 4.500 . 5.500 4.571 4.265 4.845 . 0 0 "[ . 1 . 2]" 1
1084 1 23 VAL QG 1 45 ARG HD3 4.500 . 5.500 3.512 2.945 3.871 . 0 0 "[ . 1 . 2]" 1
1085 1 23 VAL QG 1 45 ARG HD2 4.500 . 5.500 3.800 2.722 4.275 . 0 0 "[ . 1 . 2]" 1
1086 1 23 VAL QG 1 45 ARG QB 4.500 . 5.500 1.814 1.653 2.019 0.147 20 0 "[ . 1 . 2]" 1
1087 1 23 VAL QG 1 45 ARG HG3 4.500 . 5.500 2.566 2.072 3.021 . 0 0 "[ . 1 . 2]" 1
1088 1 23 VAL QG 1 45 ARG HG2 4.500 . 5.500 2.962 1.869 3.889 . 0 0 "[ . 1 . 2]" 1
1089 1 23 VAL QG 1 45 ARG HA 4.500 . 5.500 3.631 3.540 3.735 . 0 0 "[ . 1 . 2]" 1
1090 1 23 VAL QG 1 46 CYS H 4.500 . 5.500 3.104 2.478 3.630 . 0 0 "[ . 1 . 2]" 1
1091 1 23 VAL HB 1 46 CYS HA 4.500 . 5.500 3.880 2.959 4.596 . 0 0 "[ . 1 . 2]" 1
1092 1 23 VAL QG 1 46 CYS HA 4.500 . 5.500 2.888 2.136 3.578 . 0 0 "[ . 1 . 2]" 1
1093 1 23 VAL QG 1 46 CYS HB3 4.500 . 5.500 3.979 2.297 5.123 . 0 0 "[ . 1 . 2]" 1
1094 1 23 VAL QG 1 47 ALA H 4.500 . 5.500 4.838 4.166 5.319 . 0 0 "[ . 1 . 2]" 1
1095 1 23 VAL QG 1 48 GLN H 4.500 . 5.500 4.606 4.119 5.173 . 0 0 "[ . 1 . 2]" 1
1096 1 23 VAL QG 1 49 LYS QE 4.500 . 5.500 4.672 2.462 5.212 . 0 0 "[ . 1 . 2]" 1
1097 1 23 VAL QG 1 49 LYS QD 4.500 . 5.500 4.198 3.933 4.672 . 0 0 "[ . 1 . 2]" 1
1098 1 24 LEU QD 1 36 PHE HA 4.500 . 5.500 2.857 2.531 3.632 . 0 0 "[ . 1 . 2]" 1
1099 1 24 LEU QD 1 37 LEU H 4.500 . 5.500 2.754 2.181 3.488 . 0 0 "[ . 1 . 2]" 1
1100 1 24 LEU HA 1 37 LEU MD1 4.500 . 5.500 3.055 2.575 3.808 . 0 0 "[ . 1 . 2]" 1
1101 1 24 LEU QD 1 82 TYR HB2 4.500 . 5.500 2.181 1.814 2.540 . 0 0 "[ . 1 . 2]" 1
1102 1 24 LEU QD 1 82 TYR HB3 4.000 . 5.000 2.577 1.862 3.018 . 0 0 "[ . 1 . 2]" 1
1103 1 24 LEU HB3 1 83 SER H 4.500 . 5.500 5.237 5.083 5.342 . 0 0 "[ . 1 . 2]" 1
1104 1 24 LEU QD 1 83 SER H 4.000 . 5.000 3.433 2.955 3.750 . 0 0 "[ . 1 . 2]" 1
1105 1 24 LEU QD 1 83 SER HA 4.000 . 5.000 2.503 2.282 2.757 . 0 0 "[ . 1 . 2]" 1
1106 1 24 LEU HG 1 84 LEU H 4.500 . 5.500 4.858 4.532 5.069 . 0 0 "[ . 1 . 2]" 1
1107 1 24 LEU HG 1 84 LEU HA 4.500 . 5.500 5.164 5.032 5.328 . 0 0 "[ . 1 . 2]" 1
1108 1 25 TYR H 1 84 LEU MD1 4.500 . 5.500 2.752 2.527 2.916 . 0 0 "[ . 1 . 2]" 1
1109 1 25 TYR HA 1 84 LEU MD1 4.500 . 5.500 1.776 1.730 1.823 0.070 16 0 "[ . 1 . 2]" 1
1110 1 25 TYR HB3 1 84 LEU MD1 4.500 . 5.500 3.305 3.227 3.451 . 0 0 "[ . 1 . 2]" 1
1111 1 25 TYR QD 1 84 LEU MD1 4.500 . 5.500 2.196 2.079 2.321 . 0 0 "[ . 1 . 2]" 1
1112 1 25 TYR HA 1 89 LEU QD 4.500 . 5.500 3.352 3.021 3.527 . 0 0 "[ . 1 . 2]" 1
1113 1 25 TYR QD 1 89 LEU QD 4.500 . 5.500 2.301 1.793 2.435 0.007 6 0 "[ . 1 . 2]" 1
1114 1 25 TYR QE 1 89 LEU QD 4.000 . 5.000 2.045 1.853 2.554 . 0 0 "[ . 1 . 2]" 1
1115 1 25 TYR QD 1 89 LEU HA 4.500 . 5.500 2.910 2.769 3.132 . 0 0 "[ . 1 . 2]" 1
1116 1 25 TYR H 1 92 ALA MB 4.500 . 5.500 3.740 3.595 3.843 . 0 0 "[ . 1 . 2]" 1
1117 1 25 TYR HB3 1 92 ALA MB 4.500 . 5.500 2.987 2.863 3.185 . 0 0 "[ . 1 . 2]" 1
1118 1 25 TYR HB2 1 92 ALA MB 4.000 . 5.000 1.783 1.725 1.849 0.075 18 0 "[ . 1 . 2]" 1
1119 1 25 TYR QD 1 92 ALA MB 4.500 . 5.500 2.085 1.957 2.225 . 0 0 "[ . 1 . 2]" 1
1120 1 25 TYR QE 1 92 ALA MB 4.500 . 5.500 3.469 3.272 3.844 . 0 0 "[ . 1 . 2]" 1
1121 1 25 TYR QD 1 93 GLN H 4.500 . 5.500 4.036 3.648 4.204 . 0 0 "[ . 1 . 2]" 1
1122 1 25 TYR QE 1 93 GLN H 4.500 . 5.500 3.853 3.355 4.124 . 0 0 "[ . 1 . 2]" 1
1123 1 25 TYR QE 1 93 GLN HB3 4.000 . 5.000 4.487 4.077 4.696 . 0 0 "[ . 1 . 2]" 1
1124 1 25 TYR QE 1 93 GLN HB2 4.500 . 5.500 4.194 2.394 4.725 . 0 0 "[ . 1 . 2]" 1
1125 1 25 TYR QE 1 93 GLN QG 4.500 . 5.500 2.215 1.926 3.155 . 0 0 "[ . 1 . 2]" 1
1126 1 25 TYR QD 1 93 GLN HA 4.000 . 5.000 4.261 3.671 4.449 . 0 0 "[ . 1 . 2]" 1
1127 1 25 TYR QE 1 93 GLN HA 4.500 . 5.500 3.463 2.802 3.818 . 0 0 "[ . 1 . 2]" 1
1128 1 25 TYR QD 1 96 ALA MB 4.500 . 5.500 3.554 3.322 3.826 . 0 0 "[ . 1 . 2]" 1
1129 1 25 TYR QE 1 96 ALA MB 4.000 . 5.000 3.434 3.052 3.823 . 0 0 "[ . 1 . 2]" 1
1130 1 25 TYR QD 1 103 LEU QD 4.000 . 5.000 3.099 2.056 3.623 . 0 0 "[ . 1 . 2]" 1
1131 1 25 TYR QE 1 103 LEU QD 4.500 . 5.500 3.982 3.287 4.324 . 0 0 "[ . 1 . 2]" 1
1132 1 25 TYR QE 1 103 LEU QB 4.000 . 5.000 4.639 3.958 5.278 0.278 1 0 "[ . 1 . 2]" 1
1133 1 26 ARG QB 1 103 LEU QD 4.500 . 5.500 2.948 2.337 3.441 . 0 0 "[ . 1 . 2]" 1
1134 1 26 ARG HA 1 103 LEU QD 4.500 . 5.500 4.461 3.675 4.941 . 0 0 "[ . 1 . 2]" 1
1135 1 26 ARG H 1 104 LEU H 4.500 . 5.500 5.211 5.088 5.325 . 0 0 "[ . 1 . 2]" 1
1136 1 27 GLU HA 1 33 GLY QA 4.000 . 5.000 5.068 4.786 5.224 0.224 18 0 "[ . 1 . 2]" 1
1137 1 27 GLU QG 1 35 HIS HA 4.500 . 5.500 3.915 3.252 5.211 . 0 0 "[ . 1 . 2]" 1
1138 1 27 GLU QG 1 36 PHE H 4.500 . 5.500 2.891 2.315 4.196 . 0 0 "[ . 1 . 2]" 1
1139 1 27 GLU H 1 37 LEU MD1 4.500 . 5.500 3.980 3.594 4.371 . 0 0 "[ . 1 . 2]" 1
1140 1 27 GLU QG 1 37 LEU MD1 4.000 . 5.000 2.457 1.968 2.900 . 0 0 "[ . 1 . 2]" 1
1141 1 27 GLU QG 1 37 LEU MD2 4.000 . 5.000 2.353 2.030 3.445 . 0 0 "[ . 1 . 2]" 1
1142 1 27 GLU QG 1 37 LEU HG 4.500 . 5.500 1.778 1.704 1.936 0.096 17 0 "[ . 1 . 2]" 1
1143 1 27 GLU HA 1 104 LEU QD 4.000 . 5.000 3.915 2.638 5.021 0.021 12 0 "[ . 1 . 2]" 1
1144 1 28 HIS HA 1 35 HIS HB3 4.000 . 5.000 3.286 2.754 4.767 . 0 0 "[ . 1 . 2]" 1
1145 1 28 HIS HA 1 35 HIS HB2 4.500 . 5.500 4.134 2.327 4.727 . 0 0 "[ . 1 . 2]" 1
1146 1 28 HIS HA 1 35 HIS HA 4.000 . 5.000 1.804 1.724 1.960 0.076 5 0 "[ . 1 . 2]" 1
1147 1 28 HIS HA 1 35 HIS HD2 4.500 . 5.500 4.197 3.405 5.034 . 0 0 "[ . 1 . 2]" 1
1148 1 28 HIS HB2 1 36 PHE H 4.000 . 5.000 5.309 5.219 5.383 0.383 18 0 "[ . 1 . 2]" 1
1149 1 28 HIS H 1 37 LEU MD1 4.500 . 5.500 5.346 5.060 5.589 0.089 10 0 "[ . 1 . 2]" 1
1150 1 28 HIS HE1 1 83 SER QB 4.500 . 5.500 4.273 3.498 5.008 . 0 0 "[ . 1 . 2]" 1
1151 1 28 HIS HB3 1 84 LEU MD1 4.500 . 5.500 3.280 3.119 3.471 . 0 0 "[ . 1 . 2]" 1
1152 1 28 HIS HB2 1 84 LEU MD1 4.500 . 5.500 3.863 3.664 4.013 . 0 0 "[ . 1 . 2]" 1
1153 1 28 HIS HD2 1 84 LEU MD1 4.000 . 5.000 4.591 4.129 4.841 . 0 0 "[ . 1 . 2]" 1
1154 1 28 HIS HB2 1 84 LEU HB3 4.500 . 5.500 5.105 5.009 5.188 . 0 0 "[ . 1 . 2]" 1
1155 1 28 HIS HB3 1 89 LEU QD 4.500 . 5.500 3.369 3.149 3.545 . 0 0 "[ . 1 . 2]" 1
1156 1 28 HIS HB2 1 89 LEU QD 4.500 . 5.500 3.925 3.752 4.108 . 0 0 "[ . 1 . 2]" 1
1157 1 28 HIS HE1 1 89 LEU QD 4.000 . 5.000 3.444 3.231 3.745 . 0 0 "[ . 1 . 2]" 1
1158 1 28 HIS HD2 1 89 LEU QD 4.500 . 5.500 2.649 2.506 2.806 . 0 0 "[ . 1 . 2]" 1
1159 1 28 HIS HD2 1 89 LEU HG 4.500 . 5.500 4.675 4.576 4.946 . 0 0 "[ . 1 . 2]" 1
1160 1 29 LEU QD 1 84 LEU HB2 4.500 . 5.500 4.852 4.541 5.086 . 0 0 "[ . 1 . 2]" 1
1161 1 29 LEU QD 1 84 LEU MD2 4.500 . 5.500 5.564 5.480 5.631 0.131 5 0 "[ . 1 . 2]" 1
1162 1 30 ASN QB 1 36 PHE H 4.500 . 5.500 5.040 4.971 5.128 . 0 0 "[ . 1 . 2]" 1
1163 1 36 PHE QB 1 81 ARG HB3 4.000 . 5.000 2.426 2.125 2.640 . 0 0 "[ . 1 . 2]" 1
1164 1 36 PHE QB 1 81 ARG HB2 4.000 . 5.000 3.557 3.336 3.738 . 0 0 "[ . 1 . 2]" 1
1165 1 36 PHE QD 1 81 ARG HB3 4.000 . 5.000 2.496 2.320 2.862 . 0 0 "[ . 1 . 2]" 1
1166 1 36 PHE QD 1 81 ARG HB2 4.000 . 5.000 3.991 3.871 4.081 . 0 0 "[ . 1 . 2]" 1
1167 1 36 PHE HB3 1 81 ARG HB3 4.000 . 5.000 3.486 3.261 3.650 . 0 0 "[ . 1 . 2]" 1
1168 1 36 PHE HB2 1 81 ARG HB3 4.000 . 5.000 2.476 2.153 2.709 . 0 0 "[ . 1 . 2]" 1
1169 1 36 PHE HB3 1 81 ARG HB2 4.500 . 5.500 4.357 4.124 4.606 . 0 0 "[ . 1 . 2]" 1
1170 1 36 PHE HB2 1 81 ARG HB2 4.500 . 5.500 3.773 3.522 3.953 . 0 0 "[ . 1 . 2]" 1
1171 1 36 PHE HB3 1 81 ARG HA 4.500 . 5.500 5.212 5.101 5.285 . 0 0 "[ . 1 . 2]" 1
1172 1 36 PHE QD 1 81 ARG HA 4.500 . 5.500 3.600 3.154 4.074 . 0 0 "[ . 1 . 2]" 1
1173 1 36 PHE HA 1 82 TYR H 4.500 . 5.500 4.753 4.499 5.013 . 0 0 "[ . 1 . 2]" 1
1174 1 36 PHE QD 1 82 TYR H 4.500 . 5.500 4.192 3.802 4.710 . 0 0 "[ . 1 . 2]" 1
1175 1 36 PHE HA 1 83 SER HA 4.500 . 5.500 3.085 2.798 3.490 . 0 0 "[ . 1 . 2]" 1
1176 1 36 PHE HA 1 83 SER QB 4.500 . 5.500 3.819 3.081 4.528 . 0 0 "[ . 1 . 2]" 1
1177 1 36 PHE HB3 1 83 SER HA 4.500 . 5.500 3.709 3.332 4.038 . 0 0 "[ . 1 . 2]" 1
1178 1 36 PHE HB2 1 83 SER QB 4.500 . 5.500 4.013 3.304 4.776 . 0 0 "[ . 1 . 2]" 1
1179 1 37 LEU MD1 1 45 ARG HD3 4.500 . 5.500 2.918 2.492 3.737 . 0 0 "[ . 1 . 2]" 1
1180 1 37 LEU MD1 1 45 ARG HD2 4.000 . 5.000 2.444 2.065 3.007 . 0 0 "[ . 1 . 2]" 1
1181 1 37 LEU MD1 1 45 ARG QB 4.500 . 5.500 2.955 2.365 3.707 . 0 0 "[ . 1 . 2]" 1
1182 1 37 LEU H 1 81 ARG HA 4.500 . 5.500 3.999 3.748 4.270 . 0 0 "[ . 1 . 2]" 1
1183 1 37 LEU H 1 82 TYR H 4.000 . 5.000 2.904 2.701 3.144 . 0 0 "[ . 1 . 2]" 1
1184 1 37 LEU H 1 82 TYR HB2 4.000 . 5.000 3.573 3.307 3.736 . 0 0 "[ . 1 . 2]" 1
1185 1 37 LEU QB 1 82 TYR H 4.000 . 5.000 4.422 4.200 4.698 . 0 0 "[ . 1 . 2]" 1
1186 1 37 LEU H 1 83 SER HA 4.000 . 5.000 4.592 4.230 4.845 . 0 0 "[ . 1 . 2]" 1
1187 1 38 THR MG 1 79 PRO HB2 4.500 . 5.500 3.682 2.617 4.617 . 0 0 "[ . 1 . 2]" 1
1188 1 38 THR MG 1 79 PRO QG 4.500 . 5.500 3.526 2.905 4.286 . 0 0 "[ . 1 . 2]" 1
1189 1 38 THR MG 1 81 ARG HA 4.500 . 5.500 3.360 2.492 3.737 . 0 0 "[ . 1 . 2]" 1
1190 1 38 THR HA 1 81 ARG HA 4.500 . 5.500 3.154 2.771 3.380 . 0 0 "[ . 1 . 2]" 1
1191 1 38 THR HA 1 82 TYR H 4.500 . 5.500 3.763 3.069 4.073 . 0 0 "[ . 1 . 2]" 1
1192 1 38 THR HA 1 82 TYR QD 4.500 . 5.500 3.970 2.605 4.708 . 0 0 "[ . 1 . 2]" 1
1193 1 38 THR HA 1 82 TYR QE 4.500 . 5.500 4.770 3.649 5.477 . 0 0 "[ . 1 . 2]" 1
1194 1 39 LYS QE 1 61 TRP HD1 4.500 . 5.500 5.127 5.047 5.204 . 0 0 "[ . 1 . 2]" 1
1195 1 39 LYS QE 1 64 LEU QD 4.500 . 5.500 3.193 1.792 4.343 0.008 12 0 "[ . 1 . 2]" 1
1196 1 39 LYS H 1 81 ARG HA 4.500 . 5.500 5.002 4.738 5.119 . 0 0 "[ . 1 . 2]" 1
1197 1 39 LYS H 1 82 TYR QD 4.500 . 5.500 4.071 2.572 5.003 . 0 0 "[ . 1 . 2]" 1
1198 1 39 LYS H 1 82 TYR QE 4.500 . 5.500 3.779 2.195 4.807 . 0 0 "[ . 1 . 2]" 1
1199 1 39 LYS HB2 1 82 TYR QE 4.500 . 5.500 3.281 1.977 4.524 . 0 0 "[ . 1 . 2]" 1
1200 1 39 LYS HB3 1 82 TYR QE 4.500 . 5.500 4.788 3.717 5.573 0.073 19 0 "[ . 1 . 2]" 1
1201 1 39 LYS HA 1 82 TYR QD 4.500 . 5.500 3.981 3.560 4.429 . 0 0 "[ . 1 . 2]" 1
1202 1 39 LYS HA 1 82 TYR QE 4.500 . 5.500 3.832 3.213 4.430 . 0 0 "[ . 1 . 2]" 1
1203 1 42 LEU HB2 1 61 TRP HH2 4.500 . 5.500 3.414 2.677 4.273 . 0 0 "[ . 1 . 2]" 1
1204 1 42 LEU QD 1 61 TRP HH2 4.500 . 5.000 2.668 2.332 3.512 . 0 0 "[ . 1 . 2]" 1
1205 1 42 LEU HG 1 61 TRP HH2 4.500 . 5.500 4.759 4.318 5.056 . 0 0 "[ . 1 . 2]" 1
1206 1 42 LEU HB3 1 61 TRP HZ3 4.500 . 5.500 2.345 1.960 3.177 . 0 0 "[ . 1 . 2]" 1
1207 1 42 LEU QD 1 61 TRP HZ3 4.500 . 5.500 1.797 1.596 3.370 0.204 14 0 "[ . 1 . 2]" 1
1208 1 42 LEU HG 1 61 TRP HZ3 4.500 . 5.500 3.652 3.220 4.445 . 0 0 "[ . 1 . 2]" 1
1209 1 42 LEU HB3 1 61 TRP HH2 4.000 . 5.000 2.120 1.803 2.528 . 0 0 "[ . 1 . 2]" 1
1210 1 42 LEU HG 1 61 TRP HE3 4.500 . 5.500 5.389 5.266 5.485 . 0 0 "[ . 1 . 2]" 1
1211 1 42 LEU QD 1 64 LEU QD 4.000 . 5.000 2.596 1.988 3.200 . 0 0 "[ . 1 . 2]" 1
1212 1 42 LEU QD 1 82 TYR HB2 . . 3.500 2.977 2.650 3.323 . 0 0 "[ . 1 . 2]" 1
1213 1 42 LEU QD 1 82 TYR HB3 4.000 . 5.000 4.007 3.712 4.250 . 0 0 "[ . 1 . 2]" 1
1214 1 42 LEU QD 1 82 TYR QD 4.500 . 5.500 2.323 1.755 3.004 0.045 6 0 "[ . 1 . 2]" 1
1215 1 43 LEU H 1 61 TRP HH2 4.500 . 5.500 5.127 4.495 5.328 . 0 0 "[ . 1 . 2]" 1
1216 1 43 LEU H 1 61 TRP HZ3 4.000 . 5.000 4.731 3.333 5.249 0.249 13 0 "[ . 1 . 2]" 1
1217 1 43 LEU QD 1 61 TRP HZ2 4.500 . 5.500 4.754 3.919 5.434 . 0 0 "[ . 1 . 2]" 1
1218 1 43 LEU HA 1 61 TRP HH2 4.500 . 5.500 4.890 3.697 5.077 . 0 0 "[ . 1 . 2]" 1
1219 1 49 LYS HA 1 99 GLU QG 4.500 . 5.500 4.927 4.029 5.035 . 0 0 "[ . 1 . 2]" 1
1220 1 64 LEU QD 1 73 VAL QG 4.000 . 5.000 2.458 1.713 3.654 0.087 14 0 "[ . 1 . 2]" 1
1221 1 64 LEU QD 1 82 TYR QD 4.500 . 5.500 2.817 2.467 3.315 . 0 0 "[ . 1 . 2]" 1
1222 1 64 LEU QD 1 82 TYR QE 4.500 . 5.500 2.692 2.258 3.142 . 0 0 "[ . 1 . 2]" 1
1223 1 65 ARG H 1 82 TYR QE 4.000 . 5.000 5.089 5.018 5.174 0.174 5 0 "[ . 1 . 2]" 1
1224 1 67 LEU QB 1 73 VAL H 4.500 . 5.000 3.302 3.032 3.577 . 0 0 "[ . 1 . 2]" 1
1225 1 67 LEU QB 1 73 VAL QG 4.000 . 5.000 1.767 1.699 1.947 0.101 18 0 "[ . 1 . 2]" 1
1226 1 67 LEU HA 1 73 VAL QG 4.000 . 5.000 3.617 3.562 3.731 . 0 0 "[ . 1 . 2]" 1
1227 1 67 LEU QD 1 95 LEU MD2 4.000 . 5.000 4.964 4.717 5.298 0.298 8 0 "[ . 1 . 2]" 1
1228 1 68 LEU MD1 1 74 LEU HA 4.000 . 5.000 4.492 2.584 5.083 0.083 15 0 "[ . 1 . 2]" 1
1229 1 68 LEU MD1 1 75 ARG QB 4.500 . 5.500 2.114 1.766 3.435 0.034 9 0 "[ . 1 . 2]" 1
1230 1 68 LEU MD2 1 75 ARG QD 4.500 . 5.500 3.516 3.264 4.207 . 0 0 "[ . 1 . 2]" 1
1231 1 68 LEU MD2 1 82 TYR H 4.500 . 5.500 5.759 5.693 5.900 0.400 20 0 "[ . 1 . 2]" 1
1232 1 68 LEU MD1 1 82 TYR QD 4.500 . 5.500 3.686 2.054 4.557 . 0 0 "[ . 1 . 2]" 1
1233 1 68 LEU MD2 1 82 TYR QD 4.500 . 5.500 1.998 1.875 2.626 . 0 0 "[ . 1 . 2]" 1
1234 1 68 LEU MD1 1 82 TYR QE 4.500 . 5.500 2.245 1.738 4.482 0.062 16 0 "[ . 1 . 2]" 1
1235 1 68 LEU MD2 1 82 TYR QE 4.500 . 5.500 2.059 1.894 2.274 . 0 0 "[ . 1 . 2]" 1
1236 1 71 ASN QB 1 85 THR MG 4.500 . 5.500 3.668 3.256 4.293 . 0 0 "[ . 1 . 2]" 1
1237 1 72 LEU HA 1 85 THR H 4.500 . 5.500 3.699 3.189 3.914 . 0 0 "[ . 1 . 2]" 1
1238 1 72 LEU QB 1 85 THR H 4.000 . 5.000 4.463 4.329 4.562 . 0 0 "[ . 1 . 2]" 1
1239 1 72 LEU H 1 85 THR HG1 4.000 . 5.000 3.776 3.138 3.993 . 0 0 "[ . 1 . 2]" 1
1240 1 72 LEU HA 1 85 THR MG 4.000 . 5.000 4.462 4.365 4.632 . 0 0 "[ . 1 . 2]" 1
1241 1 72 LEU QD 1 87 GLU H 4.000 . 5.000 3.855 3.735 4.176 . 0 0 "[ . 1 . 2]" 1
1242 1 72 LEU QD 1 87 GLU HB2 4.000 . 5.000 1.841 1.743 2.076 0.057 9 0 "[ . 1 . 2]" 1
1243 1 72 LEU QD 1 87 GLU HG3 4.000 . 5.000 3.420 2.753 3.773 . 0 0 "[ . 1 . 2]" 1
1244 1 72 LEU QD 1 87 GLU HG2 4.000 . 5.000 3.452 2.737 3.783 . 0 0 "[ . 1 . 2]" 1
1245 1 72 LEU QD 1 87 GLU HB3 4.000 . 5.000 2.127 1.981 2.438 . 0 0 "[ . 1 . 2]" 1
1246 1 72 LEU QD 1 87 GLU HA 4.500 . 5.500 4.016 3.961 4.179 . 0 0 "[ . 1 . 2]" 1
1247 1 72 LEU HA 1 87 GLU HB2 4.000 . 5.000 2.591 2.301 2.849 . 0 0 "[ . 1 . 2]" 1
1248 1 72 LEU QB 1 88 GLY H 4.000 . 5.000 3.379 3.011 3.573 . 0 0 "[ . 1 . 2]" 1
1249 1 72 LEU QD 1 88 GLY H 3.500 . 4.000 3.424 3.203 3.634 . 0 0 "[ . 1 . 2]" 1
1250 1 72 LEU HA 1 88 GLY HA3 4.500 . 5.500 3.445 2.538 3.857 . 0 0 "[ . 1 . 2]" 1
1251 1 72 LEU HA 1 88 GLY HA2 4.500 . 5.500 4.030 3.217 4.472 . 0 0 "[ . 1 . 2]" 1
1252 1 72 LEU QB 1 88 GLY HA3 4.000 . 5.000 2.873 2.342 3.008 . 0 0 "[ . 1 . 2]" 1
1253 1 72 LEU QB 1 88 GLY HA2 4.500 . 5.000 2.766 2.368 2.923 . 0 0 "[ . 1 . 2]" 1
1254 1 72 LEU QD 1 88 GLY HA3 4.000 . 5.000 3.899 3.577 4.153 . 0 0 "[ . 1 . 2]" 1
1255 1 72 LEU QD 1 88 GLY HA2 4.500 . 5.500 3.284 2.649 3.544 . 0 0 "[ . 1 . 2]" 1
1256 1 72 LEU QD 1 91 LEU H 4.500 . 5.500 4.994 4.411 5.110 . 0 0 "[ . 1 . 2]" 1
1257 1 72 LEU QD 1 91 LEU HB2 4.500 . 5.500 3.827 3.136 3.970 . 0 0 "[ . 1 . 2]" 1
1258 1 73 VAL QG 1 82 TYR HB2 4.500 . 5.500 4.367 3.534 4.606 . 0 0 "[ . 1 . 2]" 1
1259 1 73 VAL QG 1 82 TYR HB3 4.500 . 5.500 3.170 2.096 3.463 . 0 0 "[ . 1 . 2]" 1
1260 1 73 VAL QG 1 82 TYR HA 4.500 . 5.500 4.353 2.981 4.626 . 0 0 "[ . 1 . 2]" 1
1261 1 73 VAL QG 1 82 TYR QD 4.500 . 5.500 3.154 1.972 3.539 . 0 0 "[ . 1 . 2]" 1
1262 1 73 VAL QG 1 82 TYR QE 4.500 . 5.500 3.800 3.204 4.202 . 0 0 "[ . 1 . 2]" 1
1263 1 73 VAL QG 1 83 SER H 4.500 . 5.000 3.701 2.437 4.059 . 0 0 "[ . 1 . 2]" 1
1264 1 73 VAL HB 1 84 LEU MD2 4.500 . 5.500 4.508 3.749 4.767 . 0 0 "[ . 1 . 2]" 1
1265 1 73 VAL QG 1 84 LEU HA 4.500 . 5.500 3.276 2.897 4.081 . 0 0 "[ . 1 . 2]" 1
1266 1 73 VAL HA 1 84 LEU MD2 4.000 . 5.000 3.400 3.119 3.510 . 0 0 "[ . 1 . 2]" 1
1267 1 74 LEU H 1 82 TYR HA 4.500 . 5.500 3.326 3.172 3.530 . 0 0 "[ . 1 . 2]" 1
1268 1 74 LEU HB3 1 83 SER H 4.000 . 5.000 2.796 2.278 3.142 . 0 0 "[ . 1 . 2]" 1
1269 1 74 LEU HB2 1 83 SER H 4.500 . 5.500 3.569 3.476 3.735 . 0 0 "[ . 1 . 2]" 1
1270 1 74 LEU H 1 83 SER H 3.500 . 4.000 1.876 1.728 2.010 0.072 7 0 "[ . 1 . 2]" 1
1271 1 74 LEU HB2 1 83 SER HA 4.500 . 5.500 5.140 5.075 5.219 . 0 0 "[ . 1 . 2]" 1
1272 1 74 LEU H 1 85 THR H 3.500 . 4.000 4.549 4.141 5.007 1.007 4 10 "[*- +** ** * * * 2]" 1
1273 1 75 ARG QB 1 82 TYR QD 3.500 . 4.000 3.483 3.148 3.663 . 0 0 "[ . 1 . 2]" 1
1274 1 75 ARG QB 1 82 TYR QE 4.000 . 5.000 2.401 2.253 2.529 . 0 0 "[ . 1 . 2]" 1
1275 1 75 ARG QD 1 82 TYR QE 3.500 . 4.000 4.258 3.794 4.712 0.712 12 1 "[ . 1 + . 2]" 1
1276 1 75 ARG HA 1 82 TYR HA 4.000 . 5.000 3.184 2.701 3.489 . 0 0 "[ . 1 . 2]" 1
1277 1 75 ARG HA 1 82 TYR QD 4.000 . 5.000 2.916 2.634 3.163 . 0 0 "[ . 1 . 2]" 1
1278 1 75 ARG HA 1 82 TYR QE 4.000 . 5.000 3.257 2.936 3.667 . 0 0 "[ . 1 . 2]" 1
1279 1 75 ARG QG 1 82 TYR QE 4.500 . 5.500 4.073 3.105 4.241 . 0 0 "[ . 1 . 2]" 1
1280 1 75 ARG HA 1 83 SER H 4.500 . 5.500 4.780 4.516 4.931 . 0 0 "[ . 1 . 2]" 1
1281 1 76 THR H 1 82 TYR HA 4.000 . 5.000 4.487 4.003 4.821 . 0 0 "[ . 1 . 2]" 1
1282 1 84 LEU MD1 1 90 GLU H 4.000 . 5.000 5.059 4.843 5.324 0.324 18 0 "[ . 1 . 2]" 1
1283 1 84 LEU MD1 1 92 ALA H 3.500 . 4.000 3.667 3.542 3.828 . 0 0 "[ . 1 . 2]" 1
1284 1 84 LEU MD1 1 92 ALA MB 4.000 . 5.000 1.952 1.854 2.087 . 0 0 "[ . 1 . 2]" 1
1285 1 84 LEU MD1 1 93 GLN H 4.500 . 5.500 4.543 4.175 4.817 . 0 0 "[ . 1 . 2]" 1
1286 1 96 ALA MB 1 103 LEU QD 4.000 . 5.000 2.450 2.233 2.821 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 7
_Distance_constraint_stats_list.Viol_count 3
_Distance_constraint_stats_list.Viol_total 4.704
_Distance_constraint_stats_list.Viol_max 0.101
_Distance_constraint_stats_list.Viol_rms 0.0119
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0784
_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 19 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 LEU 0.235 0.101 14 0 "[ . 1 . 2]"
1 22 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 LEU 0.150 0.101 14 0 "[ . 1 . 2]"
1 72 LEU 0.085 0.085 7 0 "[ . 1 . 2]"
1 73 VAL 0.235 0.101 14 0 "[ . 1 . 2]"
1 74 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 LEU 0.150 0.101 14 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 21 LEU QD 1 64 LEU QD 3.500 . 4.000 2.233 1.699 2.914 0.101 14 0 "[ . 1 . 2]" 2
2 1 21 LEU QD 1 72 LEU QB 3.500 . 4.000 2.048 1.715 2.343 0.085 7 0 "[ . 1 . 2]" 2
3 1 21 LEU HB3 1 91 LEU MD2 4.500 . 5.500 2.629 2.173 2.924 . 0 0 "[ . 1 . 2]" 2
4 1 19 VAL QG 1 22 LEU H 4.500 . 5.500 3.551 3.449 3.665 . 0 0 "[ . 1 . 2]" 2
5 1 21 LEU QD 1 85 THR H 4.500 . 5.500 4.116 3.760 4.290 . 0 0 "[ . 1 . 2]" 2
6 1 90 GLU QB 1 92 ALA H 4.000 . 5.000 4.174 4.047 4.367 . 0 0 "[ . 1 . 2]" 2
7 1 34 HIS H 1 37 LEU MD2 4.500 . 5.500 4.357 3.858 4.783 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 38
_Distance_constraint_stats_list.Viol_count 255
_Distance_constraint_stats_list.Viol_total 537.351
_Distance_constraint_stats_list.Viol_max 0.390
_Distance_constraint_stats_list.Viol_rms 0.0752
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0354
_Distance_constraint_stats_list.Viol_average_violations_only 0.1054
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 16 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ALA 2.637 0.183 12 0 "[ . 1 . 2]"
1 18 ARG 1.122 0.155 6 0 "[ . 1 . 2]"
1 19 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ILE 0.213 0.053 3 0 "[ . 1 . 2]"
1 21 LEU 5.296 0.207 16 0 "[ . 1 . 2]"
1 22 LEU 10.551 0.390 19 0 "[ . 1 . 2]"
1 23 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LEU 0.213 0.053 3 0 "[ . 1 . 2]"
1 25 TYR 2.659 0.207 16 0 "[ . 1 . 2]"
1 26 ARG 9.429 0.390 19 0 "[ . 1 . 2]"
1 37 LEU 0.485 0.081 6 0 "[ . 1 . 2]"
1 64 LEU 0.711 0.180 16 0 "[ . 1 . 2]"
1 68 LEU 0.711 0.180 16 0 "[ . 1 . 2]"
1 72 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 LEU 6.533 0.348 9 0 "[ . 1 . 2]"
1 82 TYR 0.485 0.081 6 0 "[ . 1 . 2]"
1 83 SER 6.533 0.348 9 0 "[ . 1 . 2]"
1 85 THR 2.114 0.156 3 0 "[ . 1 . 2]"
1 86 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 GLU 0.006 0.006 9 0 "[ . 1 . 2]"
1 88 GLY 0.119 0.027 16 0 "[ . 1 . 2]"
1 89 LEU 2.211 0.156 3 0 "[ . 1 . 2]"
1 90 GLU 0.645 0.076 11 0 "[ . 1 . 2]"
1 91 LEU 0.103 0.051 19 0 "[ . 1 . 2]"
1 92 ALA 0.119 0.027 16 0 "[ . 1 . 2]"
1 93 GLN 0.097 0.035 6 0 "[ . 1 . 2]"
1 94 LYS 0.645 0.076 11 0 "[ . 1 . 2]"
1 95 LEU 0.097 0.051 19 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 16 GLY O 1 20 ILE N 2.800 2.800 3.300 3.049 2.875 3.201 . 0 0 "[ . 1 . 2]" 3
2 1 16 GLY O 1 20 ILE H 1.800 . 2.300 2.102 1.960 2.270 . 0 0 "[ . 1 . 2]" 3
3 1 17 ALA O 1 21 LEU N 2.800 2.800 3.300 3.302 3.233 3.383 0.083 15 0 "[ . 1 . 2]" 3
4 1 17 ALA O 1 21 LEU H 1.800 . 2.300 2.415 2.314 2.483 0.183 12 0 "[ . 1 . 2]" 3
5 1 18 ARG O 1 22 LEU N 2.800 2.800 3.300 3.137 3.037 3.235 . 0 0 "[ . 1 . 2]" 3
6 1 18 ARG O 1 22 LEU H 1.800 . 2.300 2.348 2.235 2.455 0.155 6 0 "[ . 1 . 2]" 3
7 1 19 VAL O 1 23 VAL N 2.800 2.800 3.300 3.010 2.886 3.161 . 0 0 "[ . 1 . 2]" 3
8 1 19 VAL O 1 23 VAL H 1.800 . 2.300 2.126 1.967 2.288 . 0 0 "[ . 1 . 2]" 3
9 1 20 ILE O 1 24 LEU N 2.800 2.800 3.300 2.824 2.747 2.909 0.053 3 0 "[ . 1 . 2]" 3
10 1 20 ILE O 1 24 LEU H 1.800 . 2.300 1.866 1.783 1.963 0.017 3 0 "[ . 1 . 2]" 3
11 1 21 LEU O 1 25 TYR N 2.800 2.800 3.300 3.012 2.938 3.075 . 0 0 "[ . 1 . 2]" 3
12 1 21 LEU O 1 25 TYR H 1.800 . 2.300 2.433 2.368 2.507 0.207 16 0 "[ . 1 . 2]" 3
13 1 22 LEU O 1 26 ARG N 2.800 2.800 3.300 3.487 3.421 3.569 0.269 3 0 "[ . 1 . 2]" 3
14 1 22 LEU O 1 26 ARG H 1.800 . 2.300 2.584 2.493 2.690 0.390 19 0 "[ . 1 . 2]" 3
15 1 64 LEU O 1 68 LEU N 2.800 2.800 3.300 2.981 2.741 3.318 0.059 13 0 "[ . 1 . 2]" 3
16 1 64 LEU O 1 68 LEU H 1.800 . 2.300 2.139 1.801 2.480 0.180 16 0 "[ . 1 . 2]" 3
17 1 37 LEU O 1 82 TYR N 2.800 2.800 3.300 3.195 2.923 3.309 0.009 15 0 "[ . 1 . 2]" 3
18 1 37 LEU O 1 82 TYR H 1.800 . 2.300 2.272 1.992 2.381 0.081 6 0 "[ . 1 . 2]" 3
19 1 74 LEU N 1 83 SER O 2.800 2.800 3.300 2.768 2.688 2.862 0.112 12 0 "[ . 1 . 2]" 3
20 1 74 LEU H 1 83 SER O 1.800 . 2.300 2.234 2.109 2.368 0.068 4 0 "[ . 1 . 2]" 3
21 1 74 LEU O 1 83 SER N 2.800 2.800 3.300 3.184 2.909 3.349 0.049 12 0 "[ . 1 . 2]" 3
22 1 74 LEU O 1 83 SER H 1.800 . 2.300 2.576 2.470 2.648 0.348 9 0 "[ . 1 . 2]" 3
23 1 72 LEU O 1 85 THR N 2.800 2.800 3.300 2.979 2.906 3.111 . 0 0 "[ . 1 . 2]" 3
24 1 72 LEU O 1 85 THR H 1.800 . 2.300 2.066 1.958 2.144 . 0 0 "[ . 1 . 2]" 3
25 1 85 THR O 1 89 LEU N 2.800 2.800 3.300 2.695 2.644 2.776 0.156 3 0 "[ . 1 . 2]" 3
26 1 85 THR O 1 89 LEU H 1.800 . 2.300 1.872 1.777 1.929 0.023 15 0 "[ . 1 . 2]" 3
27 1 86 PRO O 1 90 GLU N 2.800 2.800 3.300 3.106 3.006 3.231 . 0 0 "[ . 1 . 2]" 3
28 1 86 PRO O 1 90 GLU H 1.800 . 2.300 2.135 2.053 2.252 . 0 0 "[ . 1 . 2]" 3
29 1 87 GLU O 1 91 LEU N 2.800 2.800 3.300 2.860 2.794 2.944 0.006 9 0 "[ . 1 . 2]" 3
30 1 87 GLU O 1 91 LEU H 1.800 . 2.300 1.931 1.875 1.984 . 0 0 "[ . 1 . 2]" 3
31 1 88 GLY O 1 92 ALA N 2.800 2.800 3.300 2.825 2.773 2.930 0.027 16 0 "[ . 1 . 2]" 3
32 1 88 GLY O 1 92 ALA H 1.800 . 2.300 1.987 1.930 2.040 . 0 0 "[ . 1 . 2]" 3
33 1 89 LEU O 1 93 GLN N 2.800 2.800 3.300 2.984 2.765 3.150 0.035 6 0 "[ . 1 . 2]" 3
34 1 89 LEU O 1 93 GLN H 1.800 . 2.300 2.147 1.845 2.311 0.011 10 0 "[ . 1 . 2]" 3
35 1 90 GLU O 1 94 LYS N 2.800 2.800 3.300 3.264 3.047 3.315 0.015 19 0 "[ . 1 . 2]" 3
36 1 90 GLU O 1 94 LYS H 1.800 . 2.300 2.309 2.095 2.376 0.076 11 0 "[ . 1 . 2]" 3
37 1 91 LEU O 1 95 LEU N 2.800 2.800 3.300 2.930 2.749 3.154 0.051 19 0 "[ . 1 . 2]" 3
38 1 91 LEU O 1 95 LEU H 1.800 . 2.300 2.059 1.858 2.304 0.004 9 0 "[ . 1 . 2]" 3
stop_
save_
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