NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
555146 |
2lq4   |
17993 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lq4
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 647
_Distance_constraint_stats_list.Viol_count 9080
_Distance_constraint_stats_list.Viol_total 49190.629
_Distance_constraint_stats_list.Viol_max 0.924
_Distance_constraint_stats_list.Viol_rms 0.1139
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0587
_Distance_constraint_stats_list.Viol_average_violations_only 0.1505
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.543 0.053 34 0 "[ . 1 . 2 . 3 . ]"
1 2 GLN 11.260 0.428 18 0 "[ . 1 . 2 . 3 . ]"
1 3 ALA 15.994 0.480 5 0 "[ . 1 . 2 . 3 . ]"
1 4 LEU 36.600 0.410 34 0 "[ . 1 . 2 . 3 . ]"
1 5 GLU 22.681 0.177 17 0 "[ . 1 . 2 . 3 . ]"
1 6 LYS 44.523 0.480 33 0 "[ . 1 . 2 . 3 . ]"
1 7 GLU 42.047 0.472 33 0 "[ . 1 . 2 . 3 . ]"
1 8 LEU 35.327 0.338 34 0 "[ . 1 . 2 . 3 . ]"
1 9 ALA 54.597 0.756 35 35 "[*******************-************ *+*]"
1 10 GLN 43.887 0.472 33 0 "[ . 1 . 2 . 3 . ]"
1 11 ASN 36.563 0.516 16 2 "[ . -1 .+ 2 . 3 . ]"
1 12 GLU 72.350 0.756 35 35 "[*******************-************ *+*]"
1 13 TRP 51.221 0.513 5 1 "[ + 1 . 2 . 3 . ]"
1 14 GLU 50.084 0.516 16 2 "[ . -1 .+ 2 . 3 . ]"
1 15 LEU 67.569 0.658 5 5 "[ + 1- . 2 . * 3* * . ]"
1 16 GLN 75.877 0.733 17 33 "[****** **-*** * +*******************]"
1 17 ALA 44.848 0.423 33 0 "[ . 1 . 2 . 3 . ]"
1 18 LEU 56.268 0.658 5 5 "[ + 1- . 2 . * 3* * . ]"
1 19 GLU 73.232 0.733 17 33 "[****** **-*** * +*******************]"
1 20 LYS 52.878 0.493 12 0 "[ . 1 . 2 . 3 . ]"
1 21 GLU 50.569 0.665 20 3 "[ . - * . + . 3 . ]"
1 22 LEU 46.765 0.465 31 0 "[ . 1 . 2 . 3 . ]"
1 23 ALA 35.660 0.493 12 0 "[ . 1 . 2 . 3 . ]"
1 24 GLN 58.159 0.671 2 23 "[ + * **-****.** **********3* * ]"
1 25 LEU 47.479 0.554 25 1 "[ . 1 . 2 + 3 . ]"
1 26 GLU 49.458 0.454 36 0 "[ . 1 . 2 . 3 . ]"
1 27 LYS 61.902 0.882 30 36 [********-********************+******]
1 28 GLU 40.174 0.554 25 1 "[ . 1 . 2 + 3 . ]"
1 29 LEU 56.191 0.454 36 0 "[ . 1 . 2 . 3 . ]"
1 30 GLN 55.984 0.882 30 36 [**********-******************+******]
1 31 ALA 13.031 0.295 22 0 "[ . 1 . 2 . 3 . ]"
1 32 TRP 0.673 0.170 22 0 "[ . 1 . 2 . 3 . ]"
1 33 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 39 GLU 0.491 0.042 8 0 "[ . 1 . 2 . 3 . ]"
1 41 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 42 SER 0.073 0.050 29 0 "[ . 1 . 2 . 3 . ]"
1 45 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 46 PRO 0.595 0.077 32 0 "[ . 1 . 2 . 3 . ]"
1 47 LEU 7.087 0.208 1 0 "[ . 1 . 2 . 3 . ]"
1 48 TYR 7.754 0.218 29 0 "[ . 1 . 2 . 3 . ]"
1 49 SER 0.183 0.059 10 0 "[ . 1 . 2 . 3 . ]"
1 50 ASP 2.452 0.153 1 0 "[ . 1 . 2 . 3 . ]"
1 52 ALA 5.099 0.213 2 0 "[ . 1 . 2 . 3 . ]"
1 53 LEU 37.699 0.421 32 0 "[ . 1 . 2 . 3 . ]"
1 54 LYS 12.932 0.273 24 0 "[ . 1 . 2 . 3 . ]"
1 55 LYS 27.010 0.369 34 0 "[ . 1 . 2 . 3 . ]"
1 56 LYS 24.970 0.421 32 0 "[ . 1 . 2 . 3 . ]"
1 57 LEU 37.705 0.450 8 0 "[ . 1 . 2 . 3 . ]"
1 58 ALA 35.534 0.369 34 0 "[ . 1 . 2 . 3 . ]"
1 59 GLN 23.607 0.210 16 0 "[ . 1 . 2 . 3 . ]"
1 60 LEU 55.253 0.481 4 0 "[ . 1 . 2 . 3 . ]"
1 61 LYS 34.311 0.660 14 5 "[*- . 1 *+. *2 . 3 . ]"
1 62 TRP 11.337 0.168 26 0 "[ . 1 . 2 . 3 . ]"
1 63 LYS 28.430 0.481 4 0 "[ . 1 . 2 . 3 . ]"
1 64 LEU 60.097 0.660 14 8 "[*- . 1 *+.* ** . *3 . ]"
1 65 GLN 50.625 0.924 6 29 "[****.+** ** ***- * * ************ **]"
1 66 ALA 27.943 0.308 1 0 "[ . 1 . 2 . 3 . ]"
1 67 LEU 61.191 0.574 20 4 "[ . 1 .-* + . *3 . ]"
1 68 LYS 66.129 0.924 6 33 "[*****+***** -******* ************ **]"
1 69 LYS 24.158 0.308 1 0 "[ . 1 . 2 . 3 . ]"
1 70 LYS 42.840 0.509 4 2 "[ +. - 1 . 2 . 3 . ]"
1 71 ASN 37.101 0.541 1 8 "[+ * *1 - * ** * 3 . ]"
1 72 ALA 12.475 0.281 20 0 "[ . 1 . 2 . 3 . ]"
1 73 GLN 68.138 0.509 4 2 "[ +. - 1 . 2 . 3 . ]"
1 74 LEU 58.638 0.444 4 0 "[ . 1 . 2 . 3 . ]"
1 75 LYS 39.696 0.540 12 1 "[ . 1 + . 2 . 3 . ]"
1 76 LYS 27.387 0.394 33 0 "[ . 1 . 2 . 3 . ]"
1 77 LYS 32.241 0.444 4 0 "[ . 1 . 2 . 3 . ]"
1 78 LEU 43.726 0.540 12 1 "[ . 1 + . 2 . 3 . ]"
1 79 GLN 28.414 0.311 12 0 "[ . 1 . 2 . 3 . ]"
1 80 ALA 8.590 0.194 13 0 "[ . 1 . 2 . 3 . ]"
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 48 TYR H 1 52 ALA MB 2.000 . 4.000 3.926 3.282 4.213 0.213 2 0 "[ . 1 . 2 . 3 . ]" 1
2 1 46 PRO QB 1 48 TYR H 2.000 . 4.000 2.948 2.132 4.025 0.025 1 0 "[ . 1 . 2 . 3 . ]" 1
3 1 47 LEU H 1 48 TYR QD 2.000 . 4.000 2.953 2.550 3.588 . 0 0 "[ . 1 . 2 . 3 . ]" 1
4 1 47 LEU H 1 48 TYR QE 2.000 . 4.000 3.977 3.598 4.066 0.066 33 0 "[ . 1 . 2 . 3 . ]" 1
5 1 50 ASP H 1 52 ALA MB 2.000 . 4.000 4.028 3.437 4.153 0.153 1 0 "[ . 1 . 2 . 3 . ]" 1
6 1 2 GLN H 1 2 GLN HB3 2.000 . 3.300 3.415 2.779 3.690 0.390 9 0 "[ . 1 . 2 . 3 . ]" 1
7 1 2 GLN H 1 2 GLN HB2 2.000 . 3.300 2.720 2.134 3.728 0.428 18 0 "[ . 1 . 2 . 3 . ]" 1
8 1 2 GLN H 1 2 GLN HG3 2.000 . 4.000 3.158 1.873 4.093 0.093 18 0 "[ . 1 . 2 . 3 . ]" 1
9 1 2 GLN H 1 2 GLN HG2 2.000 . 4.000 3.416 1.799 4.225 0.225 24 0 "[ . 1 . 2 . 3 . ]" 1
10 1 3 ALA H 1 3 ALA MB 2.000 . 3.300 2.337 2.306 2.351 . 0 0 "[ . 1 . 2 . 3 . ]" 1
11 1 4 LEU H 1 4 LEU HB3 2.000 . 3.300 2.571 2.433 3.407 0.107 9 0 "[ . 1 . 2 . 3 . ]" 1
12 1 4 LEU H 1 4 LEU HB2 2.000 . 3.300 2.558 2.156 2.749 . 0 0 "[ . 1 . 2 . 3 . ]" 1
13 1 4 LEU H 1 4 LEU MD1 2.000 . 4.000 4.065 2.682 4.163 0.163 22 0 "[ . 1 . 2 . 3 . ]" 1
14 1 4 LEU H 1 4 LEU MD2 2.000 . 4.000 4.136 4.021 4.200 0.200 17 0 "[ . 1 . 2 . 3 . ]" 1
15 1 3 ALA H 1 4 LEU H 2.000 . 2.700 2.114 1.985 2.266 . 0 0 "[ . 1 . 2 . 3 . ]" 1
16 1 3 ALA HA 1 4 LEU H 2.000 . 3.300 3.413 3.322 3.472 0.172 34 0 "[ . 1 . 2 . 3 . ]" 1
17 1 3 ALA MB 1 4 LEU H 2.000 . 3.300 2.653 2.392 3.008 . 0 0 "[ . 1 . 2 . 3 . ]" 1
18 1 2 GLN H 1 4 LEU H 2.000 . 4.000 4.009 3.477 4.089 0.089 32 0 "[ . 1 . 2 . 3 . ]" 1
19 1 1 MET HA 1 4 LEU H 2.000 . 4.000 3.992 3.792 4.053 0.053 34 0 "[ . 1 . 2 . 3 . ]" 1
20 1 4 LEU HA 1 7 GLU HB3 2.000 . 3.300 2.176 1.771 3.439 0.139 34 0 "[ . 1 . 2 . 3 . ]" 1
21 1 4 LEU HA 1 7 GLU HB2 2.000 . 4.000 3.528 1.981 3.849 . 0 0 "[ . 1 . 2 . 3 . ]" 1
22 1 4 LEU MD1 1 74 LEU MD1 2.000 . 4.700 4.695 4.020 4.750 0.050 12 0 "[ . 1 . 2 . 3 . ]" 1
23 1 4 LEU MD2 1 74 LEU MD2 2.000 . 4.700 3.751 3.225 4.639 . 0 0 "[ . 1 . 2 . 3 . ]" 1
24 1 5 GLU H 1 5 GLU HB3 2.000 . 4.000 3.572 3.541 3.633 . 0 0 "[ . 1 . 2 . 3 . ]" 1
25 1 5 GLU H 1 5 GLU HB2 2.000 . 3.300 2.865 2.723 2.944 . 0 0 "[ . 1 . 2 . 3 . ]" 1
26 1 5 GLU H 1 5 GLU HG3 2.000 . 4.000 2.595 2.543 2.677 . 0 0 "[ . 1 . 2 . 3 . ]" 1
27 1 5 GLU H 1 5 GLU HG2 2.000 . 4.000 1.956 1.785 2.350 . 0 0 "[ . 1 . 2 . 3 . ]" 1
28 1 4 LEU H 1 5 GLU H 2.000 . 2.700 2.156 1.899 2.332 . 0 0 "[ . 1 . 2 . 3 . ]" 1
29 1 4 LEU HA 1 5 GLU H 2.000 . 3.300 3.456 3.387 3.477 0.177 17 0 "[ . 1 . 2 . 3 . ]" 1
30 1 4 LEU HB3 1 5 GLU H 2.000 . 3.300 2.221 1.907 2.875 . 0 0 "[ . 1 . 2 . 3 . ]" 1
31 1 4 LEU HB2 1 5 GLU H 2.000 . 4.000 3.420 2.326 3.799 . 0 0 "[ . 1 . 2 . 3 . ]" 1
32 1 4 LEU MD1 1 5 GLU H 2.000 . 4.000 3.738 2.976 4.173 0.173 34 0 "[ . 1 . 2 . 3 . ]" 1
33 1 4 LEU MD2 1 5 GLU H 2.000 . 4.000 3.580 2.864 4.170 0.170 9 0 "[ . 1 . 2 . 3 . ]" 1
34 1 6 LYS H 1 6 LYS HB3 2.000 . 4.000 3.495 3.203 3.629 . 0 0 "[ . 1 . 2 . 3 . ]" 1
35 1 6 LYS H 1 6 LYS HB2 2.000 . 3.300 2.286 2.200 2.386 . 0 0 "[ . 1 . 2 . 3 . ]" 1
36 1 5 GLU H 1 6 LYS H 2.000 . 2.700 2.539 2.095 2.726 0.026 22 0 "[ . 1 . 2 . 3 . ]" 1
37 1 5 GLU HA 1 6 LYS H 2.000 . 3.300 3.421 3.363 3.450 0.150 10 0 "[ . 1 . 2 . 3 . ]" 1
38 1 5 GLU HB3 1 6 LYS H 2.000 . 4.000 4.044 4.017 4.061 0.061 11 0 "[ . 1 . 2 . 3 . ]" 1
39 1 5 GLU HB2 1 6 LYS H 2.000 . 3.300 2.853 2.811 2.915 . 0 0 "[ . 1 . 2 . 3 . ]" 1
40 1 5 GLU HG3 1 6 LYS H 2.000 . 4.000 4.084 4.045 4.121 0.121 6 0 "[ . 1 . 2 . 3 . ]" 1
41 1 5 GLU HG2 1 6 LYS H 2.000 . 4.000 4.100 4.045 4.150 0.150 6 0 "[ . 1 . 2 . 3 . ]" 1
42 1 6 LYS HA 1 9 ALA MB 2.000 . 4.000 1.857 1.787 1.920 . 0 0 "[ . 1 . 2 . 3 . ]" 1
43 1 3 ALA H 1 6 LYS H 2.000 . 3.500 3.832 3.744 3.980 0.480 5 0 "[ . 1 . 2 . 3 . ]" 1
44 1 7 GLU H 1 7 GLU HB3 2.000 . 3.300 2.157 2.093 3.494 0.194 34 0 "[ . 1 . 2 . 3 . ]" 1
45 1 7 GLU H 1 7 GLU HB2 2.000 . 3.300 3.059 2.215 3.114 . 0 0 "[ . 1 . 2 . 3 . ]" 1
46 1 7 GLU H 1 7 GLU HG3 2.000 . 4.000 4.091 3.118 4.200 0.200 24 0 "[ . 1 . 2 . 3 . ]" 1
47 1 7 GLU H 1 7 GLU HG2 2.000 . 4.000 4.043 3.027 4.092 0.092 6 0 "[ . 1 . 2 . 3 . ]" 1
48 1 6 LYS H 1 7 GLU H 2.000 . 2.700 2.171 2.129 2.240 . 0 0 "[ . 1 . 2 . 3 . ]" 1
49 1 6 LYS HA 1 7 GLU H 2.000 . 3.300 3.331 3.307 3.393 0.093 20 0 "[ . 1 . 2 . 3 . ]" 1
50 1 6 LYS HB3 1 7 GLU H 2.000 . 4.000 3.738 3.155 3.978 . 0 0 "[ . 1 . 2 . 3 . ]" 1
51 1 6 LYS HB2 1 7 GLU H 2.000 . 3.300 3.380 3.331 3.407 0.107 8 0 "[ . 1 . 2 . 3 . ]" 1
52 1 4 LEU H 1 7 GLU H 2.000 . 3.700 4.017 3.950 4.110 0.410 34 0 "[ . 1 . 2 . 3 . ]" 1
53 1 4 LEU HA 1 7 GLU H 2.000 . 3.700 3.358 3.041 3.597 . 0 0 "[ . 1 . 2 . 3 . ]" 1
54 1 8 LEU H 1 8 LEU HB3 2.000 . 3.300 2.363 2.069 2.610 . 0 0 "[ . 1 . 2 . 3 . ]" 1
55 1 8 LEU H 1 8 LEU HB2 2.000 . 3.300 2.706 2.272 3.203 . 0 0 "[ . 1 . 2 . 3 . ]" 1
56 1 8 LEU H 1 8 LEU MD1 2.000 . 4.000 4.108 4.002 4.255 0.255 25 0 "[ . 1 . 2 . 3 . ]" 1
57 1 8 LEU H 1 8 LEU MD2 2.000 . 4.000 4.088 3.901 4.162 0.162 32 0 "[ . 1 . 2 . 3 . ]" 1
58 1 7 GLU H 1 8 LEU H 2.000 . 2.700 1.931 1.879 2.010 . 0 0 "[ . 1 . 2 . 3 . ]" 1
59 1 7 GLU HA 1 8 LEU H 2.000 . 3.300 3.313 3.268 3.338 0.038 11 0 "[ . 1 . 2 . 3 . ]" 1
60 1 7 GLU HB3 1 8 LEU H 2.000 . 3.300 2.990 2.942 3.340 0.040 34 0 "[ . 1 . 2 . 3 . ]" 1
61 1 7 GLU HB2 1 8 LEU H 2.000 . 4.000 4.058 2.398 4.124 0.124 9 0 "[ . 1 . 2 . 3 . ]" 1
62 1 7 GLU HG3 1 8 LEU H 2.000 . 4.000 3.742 3.620 4.275 0.275 34 0 "[ . 1 . 2 . 3 . ]" 1
63 1 7 GLU HG2 1 8 LEU H 2.000 . 4.000 4.034 4.011 4.258 0.258 34 0 "[ . 1 . 2 . 3 . ]" 1
64 1 5 GLU HA 1 8 LEU H 2.000 . 3.500 3.404 3.193 3.520 0.020 16 0 "[ . 1 . 2 . 3 . ]" 1
65 1 8 LEU HA 1 11 ASN HB3 2.000 . 3.300 2.142 1.993 2.241 . 0 0 "[ . 1 . 2 . 3 . ]" 1
66 1 8 LEU HA 1 11 ASN HB2 2.000 . 3.300 2.232 2.173 2.282 . 0 0 "[ . 1 . 2 . 3 . ]" 1
67 1 8 LEU MD1 1 78 LEU MD1 2.000 . 4.700 3.494 1.955 4.705 0.005 28 0 "[ . 1 . 2 . 3 . ]" 1
68 1 8 LEU MD1 1 78 LEU MD2 2.000 . 4.700 4.278 2.013 4.745 0.045 27 0 "[ . 1 . 2 . 3 . ]" 1
69 1 9 ALA H 1 9 ALA MB 2.000 . 3.300 2.301 2.239 2.365 . 0 0 "[ . 1 . 2 . 3 . ]" 1
70 1 8 LEU H 1 9 ALA H 2.000 . 2.700 1.976 1.914 2.231 . 0 0 "[ . 1 . 2 . 3 . ]" 1
71 1 8 LEU HA 1 9 ALA H 2.000 . 3.300 3.404 3.332 3.459 0.159 21 0 "[ . 1 . 2 . 3 . ]" 1
72 1 8 LEU HB3 1 9 ALA H 2.000 . 3.300 2.749 2.361 3.034 . 0 0 "[ . 1 . 2 . 3 . ]" 1
73 1 8 LEU HB2 1 9 ALA H 2.000 . 4.000 3.814 3.372 4.115 0.115 25 0 "[ . 1 . 2 . 3 . ]" 1
74 1 8 LEU MD1 1 9 ALA H 2.000 . 4.000 4.013 3.422 4.289 0.289 29 0 "[ . 1 . 2 . 3 . ]" 1
75 1 8 LEU MD2 1 9 ALA H 2.000 . 4.000 4.007 3.602 4.206 0.206 6 0 "[ . 1 . 2 . 3 . ]" 1
76 1 9 ALA HA 1 12 GLU HB3 2.000 . 3.300 2.181 1.838 3.373 0.073 30 0 "[ . 1 . 2 . 3 . ]" 1
77 1 9 ALA HA 1 12 GLU HB2 2.000 . 3.300 2.156 1.868 2.259 . 0 0 "[ . 1 . 2 . 3 . ]" 1
78 1 6 LYS H 1 9 ALA H 2.000 . 3.500 3.941 3.898 3.980 0.480 33 0 "[ . 1 . 2 . 3 . ]" 1
79 1 6 LYS HA 1 9 ALA H 2.000 . 3.500 2.673 2.563 2.870 . 0 0 "[ . 1 . 2 . 3 . ]" 1
80 1 10 GLN H 1 10 GLN HB3 2.000 . 3.300 2.299 2.122 3.543 0.243 16 0 "[ . 1 . 2 . 3 . ]" 1
81 1 10 GLN H 1 10 GLN HB2 2.000 . 3.300 3.040 2.301 3.209 . 0 0 "[ . 1 . 2 . 3 . ]" 1
82 1 10 GLN H 1 10 GLN HG3 2.000 . 4.000 3.979 3.130 4.104 0.104 15 0 "[ . 1 . 2 . 3 . ]" 1
83 1 10 GLN H 1 10 GLN HG2 2.000 . 4.000 3.968 2.832 4.128 0.128 13 0 "[ . 1 . 2 . 3 . ]" 1
84 1 9 ALA H 1 10 GLN H 2.000 . 2.700 2.116 1.942 2.268 . 0 0 "[ . 1 . 2 . 3 . ]" 1
85 1 9 ALA HA 1 10 GLN H 2.000 . 3.300 3.361 3.335 3.395 0.095 9 0 "[ . 1 . 2 . 3 . ]" 1
86 1 9 ALA MB 1 10 GLN H 2.000 . 3.300 2.953 2.856 3.018 . 0 0 "[ . 1 . 2 . 3 . ]" 1
87 1 8 LEU H 1 10 GLN H 2.000 . 4.000 3.086 2.994 3.224 . 0 0 "[ . 1 . 2 . 3 . ]" 1
88 1 7 GLU H 1 10 GLN H 2.000 . 3.500 3.886 3.855 3.972 0.472 33 0 "[ . 1 . 2 . 3 . ]" 1
89 1 7 GLU HA 1 10 GLN H 2.000 . 3.500 3.124 2.965 3.205 . 0 0 "[ . 1 . 2 . 3 . ]" 1
90 1 10 GLN HA 1 13 TRP HB3 2.000 . 3.300 2.145 2.091 2.220 . 0 0 "[ . 1 . 2 . 3 . ]" 1
91 1 10 GLN HA 1 13 TRP HB2 2.000 . 3.300 2.187 2.119 2.332 . 0 0 "[ . 1 . 2 . 3 . ]" 1
92 1 11 ASN H 1 11 ASN HB3 2.000 . 3.300 2.872 2.777 2.987 . 0 0 "[ . 1 . 2 . 3 . ]" 1
93 1 11 ASN H 1 11 ASN HB2 2.000 . 3.300 2.416 2.299 2.483 . 0 0 "[ . 1 . 2 . 3 . ]" 1
94 1 10 GLN H 1 11 ASN H 2.000 . 2.700 1.943 1.896 1.973 . 0 0 "[ . 1 . 2 . 3 . ]" 1
95 1 10 GLN HA 1 11 ASN H 2.000 . 3.300 3.380 3.340 3.398 0.098 36 0 "[ . 1 . 2 . 3 . ]" 1
96 1 10 GLN HB3 1 11 ASN H 2.000 . 3.300 2.989 2.855 3.440 0.140 33 0 "[ . 1 . 2 . 3 . ]" 1
97 1 10 GLN HB2 1 11 ASN H 2.000 . 4.000 3.916 2.325 4.183 0.183 28 0 "[ . 1 . 2 . 3 . ]" 1
98 1 10 GLN HG3 1 11 ASN H 2.000 . 4.000 3.656 3.511 4.279 0.279 16 0 "[ . 1 . 2 . 3 . ]" 1
99 1 10 GLN HG2 1 11 ASN H 2.000 . 4.000 4.014 3.919 4.222 0.222 33 0 "[ . 1 . 2 . 3 . ]" 1
100 1 8 LEU H 1 11 ASN H 2.000 . 3.500 3.759 3.721 3.838 0.338 34 0 "[ . 1 . 2 . 3 . ]" 1
101 1 8 LEU HA 1 11 ASN H 2.000 . 3.500 2.929 2.815 3.103 . 0 0 "[ . 1 . 2 . 3 . ]" 1
102 1 11 ASN HA 1 14 GLU HB3 2.000 . 4.000 3.406 1.768 3.707 . 0 0 "[ . 1 . 2 . 3 . ]" 1
103 1 11 ASN HA 1 14 GLU HB2 2.000 . 3.300 2.078 2.003 2.280 . 0 0 "[ . 1 . 2 . 3 . ]" 1
104 1 11 ASN ND2 1 74 LEU CD2 2.000 . 4.700 4.507 3.956 4.722 0.022 34 0 "[ . 1 . 2 . 3 . ]" 1
105 1 11 ASN ND2 1 71 ASN OD1 2.000 . 4.700 4.022 2.774 4.724 0.024 7 0 "[ . 1 . 2 . 3 . ]" 1
106 1 12 GLU H 1 12 GLU HB3 2.000 . 4.000 2.549 2.244 3.691 . 0 0 "[ . 1 . 2 . 3 . ]" 1
107 1 12 GLU H 1 12 GLU HB2 2.000 . 3.300 2.483 2.410 2.576 . 0 0 "[ . 1 . 2 . 3 . ]" 1
108 1 12 GLU H 1 12 GLU HG3 2.000 . 4.000 3.968 2.818 4.230 0.230 33 0 "[ . 1 . 2 . 3 . ]" 1
109 1 12 GLU H 1 12 GLU HG2 2.000 . 4.000 4.021 2.830 4.324 0.324 28 0 "[ . 1 . 2 . 3 . ]" 1
110 1 11 ASN H 1 12 GLU H 2.000 . 2.700 2.120 2.018 2.347 . 0 0 "[ . 1 . 2 . 3 . ]" 1
111 1 11 ASN HA 1 12 GLU H 2.000 . 3.300 3.368 3.352 3.393 0.093 33 0 "[ . 1 . 2 . 3 . ]" 1
112 1 11 ASN HB3 1 12 GLU H 2.000 . 3.300 3.105 3.035 3.168 . 0 0 "[ . 1 . 2 . 3 . ]" 1
113 1 11 ASN HB2 1 12 GLU H 2.000 . 4.000 3.756 3.716 3.811 . 0 0 "[ . 1 . 2 . 3 . ]" 1
114 1 9 ALA H 1 12 GLU H 2.000 . 3.300 3.952 3.795 4.056 0.756 35 35 "[*******************-************ *+*]" 1
115 1 9 ALA HA 1 12 GLU H 2.000 . 3.500 2.922 2.695 3.004 . 0 0 "[ . 1 . 2 . 3 . ]" 1
116 1 13 TRP H 1 13 TRP HB3 2.000 . 3.300 2.853 2.816 2.934 . 0 0 "[ . 1 . 2 . 3 . ]" 1
117 1 13 TRP H 1 13 TRP HB2 2.000 . 3.300 2.404 2.354 2.514 . 0 0 "[ . 1 . 2 . 3 . ]" 1
118 1 12 GLU H 1 13 TRP H 2.000 . 2.700 1.933 1.805 2.033 . 0 0 "[ . 1 . 2 . 3 . ]" 1
119 1 12 GLU HA 1 13 TRP H 2.000 . 3.300 3.357 3.274 3.413 0.113 28 0 "[ . 1 . 2 . 3 . ]" 1
120 1 12 GLU HB3 1 13 TRP H 2.000 . 4.000 2.657 2.299 3.931 . 0 0 "[ . 1 . 2 . 3 . ]" 1
121 1 12 GLU HB2 1 13 TRP H 2.000 . 3.300 3.403 2.638 3.583 0.283 9 0 "[ . 1 . 2 . 3 . ]" 1
122 1 12 GLU HG3 1 13 TRP H 2.000 . 4.000 4.100 4.061 4.248 0.248 20 0 "[ . 1 . 2 . 3 . ]" 1
123 1 12 GLU HG2 1 13 TRP H 2.000 . 4.000 4.094 4.043 4.272 0.272 13 0 "[ . 1 . 2 . 3 . ]" 1
124 1 10 GLN H 1 13 TRP H 2.000 . 3.500 3.842 3.811 3.879 0.379 9 0 "[ . 1 . 2 . 3 . ]" 1
125 1 10 GLN HA 1 13 TRP H 2.000 . 3.500 2.903 2.836 3.052 . 0 0 "[ . 1 . 2 . 3 . ]" 1
126 1 13 TRP HA 1 16 GLN HB3 2.000 . 3.300 2.730 1.815 3.448 0.148 20 0 "[ . 1 . 2 . 3 . ]" 1
127 1 13 TRP HA 1 16 GLN HB2 2.000 . 3.300 2.043 1.818 2.305 . 0 0 "[ . 1 . 2 . 3 . ]" 1
128 1 14 GLU H 1 14 GLU HB3 2.000 . 4.000 3.566 2.258 3.739 . 0 0 "[ . 1 . 2 . 3 . ]" 1
129 1 14 GLU H 1 14 GLU HB2 2.000 . 3.300 2.645 2.464 2.695 . 0 0 "[ . 1 . 2 . 3 . ]" 1
130 1 14 GLU H 1 14 GLU HG3 2.000 . 4.000 2.977 2.759 4.227 0.227 15 0 "[ . 1 . 2 . 3 . ]" 1
131 1 14 GLU H 1 14 GLU HG2 2.000 . 4.000 3.028 2.787 4.292 0.292 5 0 "[ . 1 . 2 . 3 . ]" 1
132 1 13 TRP HA 1 14 GLU H 2.000 . 3.300 3.401 3.374 3.415 0.115 21 0 "[ . 1 . 2 . 3 . ]" 1
133 1 13 TRP HB3 1 14 GLU H 2.000 . 3.300 3.093 3.016 3.207 . 0 0 "[ . 1 . 2 . 3 . ]" 1
134 1 13 TRP HB2 1 14 GLU H 2.000 . 4.000 3.819 3.762 3.863 . 0 0 "[ . 1 . 2 . 3 . ]" 1
135 1 14 GLU HA 1 17 ALA MB 2.000 . 4.000 1.876 1.830 1.971 . 0 0 "[ . 1 . 2 . 3 . ]" 1
136 1 11 ASN H 1 14 GLU H 2.000 . 3.500 3.938 3.897 4.016 0.516 16 2 "[ . -1 .+ 2 . 3 . ]" 1
137 1 11 ASN HA 1 14 GLU H 2.000 . 3.500 2.767 2.635 3.032 . 0 0 "[ . 1 . 2 . 3 . ]" 1
138 1 15 LEU H 1 15 LEU HB3 2.000 . 3.300 2.496 2.160 2.682 . 0 0 "[ . 1 . 2 . 3 . ]" 1
139 1 15 LEU H 1 15 LEU HB2 2.000 . 3.300 2.621 2.233 2.911 . 0 0 "[ . 1 . 2 . 3 . ]" 1
140 1 15 LEU H 1 15 LEU MD1 2.000 . 4.000 4.089 4.046 4.227 0.227 3 0 "[ . 1 . 2 . 3 . ]" 1
141 1 15 LEU H 1 15 LEU MD2 2.000 . 4.000 4.142 4.106 4.204 0.204 21 0 "[ . 1 . 2 . 3 . ]" 1
142 1 14 GLU H 1 15 LEU H 2.000 . 2.700 1.860 1.829 1.962 . 0 0 "[ . 1 . 2 . 3 . ]" 1
143 1 14 GLU HA 1 15 LEU H 2.000 . 3.300 3.278 3.242 3.365 0.065 5 0 "[ . 1 . 2 . 3 . ]" 1
144 1 14 GLU HB3 1 15 LEU H 2.000 . 4.000 3.827 2.398 4.045 0.045 16 0 "[ . 1 . 2 . 3 . ]" 1
145 1 14 GLU HB2 1 15 LEU H 2.000 . 3.300 3.030 2.832 3.585 0.285 15 0 "[ . 1 . 2 . 3 . ]" 1
146 1 14 GLU HG3 1 15 LEU H 2.000 . 4.000 4.192 4.086 4.215 0.215 13 0 "[ . 1 . 2 . 3 . ]" 1
147 1 14 GLU HG2 1 15 LEU H 2.000 . 4.000 4.243 4.063 4.293 0.293 7 0 "[ . 1 . 2 . 3 . ]" 1
148 1 12 GLU H 1 15 LEU H 2.000 . 3.500 3.905 3.859 3.939 0.439 20 0 "[ . 1 . 2 . 3 . ]" 1
149 1 12 GLU HA 1 15 LEU H 2.000 . 3.500 3.143 3.003 3.227 . 0 0 "[ . 1 . 2 . 3 . ]" 1
150 1 16 GLN H 1 16 GLN HB3 2.000 . 4.000 3.066 2.289 3.685 . 0 0 "[ . 1 . 2 . 3 . ]" 1
151 1 16 GLN H 1 16 GLN HB2 2.000 . 3.300 2.481 2.274 2.598 . 0 0 "[ . 1 . 2 . 3 . ]" 1
152 1 16 GLN H 1 16 GLN HG3 2.000 . 4.000 3.491 2.805 4.219 0.219 30 0 "[ . 1 . 2 . 3 . ]" 1
153 1 16 GLN H 1 16 GLN HG2 2.000 . 4.000 3.450 2.589 4.326 0.326 21 0 "[ . 1 . 2 . 3 . ]" 1
154 1 15 LEU H 1 16 GLN H 2.000 . 2.700 2.109 2.012 2.294 . 0 0 "[ . 1 . 2 . 3 . ]" 1
155 1 15 LEU HA 1 16 GLN H 2.000 . 3.300 3.396 3.349 3.449 0.149 33 0 "[ . 1 . 2 . 3 . ]" 1
156 1 15 LEU HB3 1 16 GLN H 2.000 . 3.300 2.693 2.365 2.926 . 0 0 "[ . 1 . 2 . 3 . ]" 1
157 1 15 LEU HB2 1 16 GLN H 2.000 . 4.000 3.784 3.364 3.926 . 0 0 "[ . 1 . 2 . 3 . ]" 1
158 1 15 LEU MD1 1 16 GLN H 2.000 . 4.000 3.624 3.342 4.279 0.279 21 0 "[ . 1 . 2 . 3 . ]" 1
159 1 15 LEU MD2 1 16 GLN H 2.000 . 4.000 4.076 3.522 4.196 0.196 29 0 "[ . 1 . 2 . 3 . ]" 1
160 1 13 TRP H 1 16 GLN H 2.000 . 3.500 3.957 3.897 4.013 0.513 5 1 "[ + 1 . 2 . 3 . ]" 1
161 1 13 TRP HA 1 16 GLN H 2.000 . 4.000 2.812 2.670 2.947 . 0 0 "[ . 1 . 2 . 3 . ]" 1
162 1 17 ALA H 1 17 ALA MB 2.000 . 3.300 2.289 2.256 2.319 . 0 0 "[ . 1 . 2 . 3 . ]" 1
163 1 16 GLN H 1 17 ALA H 2.000 . 2.700 2.011 1.824 2.236 . 0 0 "[ . 1 . 2 . 3 . ]" 1
164 1 16 GLN HA 1 17 ALA H 2.000 . 3.300 3.356 3.307 3.403 0.103 21 0 "[ . 1 . 2 . 3 . ]" 1
165 1 16 GLN HB3 1 17 ALA H 2.000 . 4.000 3.157 2.329 3.879 . 0 0 "[ . 1 . 2 . 3 . ]" 1
166 1 16 GLN HB2 1 17 ALA H 2.000 . 3.300 3.069 2.664 3.552 0.252 24 0 "[ . 1 . 2 . 3 . ]" 1
167 1 16 GLN HG3 1 17 ALA H 2.000 . 4.000 4.157 4.073 4.230 0.230 12 0 "[ . 1 . 2 . 3 . ]" 1
168 1 16 GLN HG2 1 17 ALA H 2.000 . 4.000 4.157 4.051 4.245 0.245 27 0 "[ . 1 . 2 . 3 . ]" 1
169 1 15 LEU H 1 17 ALA H 2.000 . 4.000 3.165 3.090 3.370 . 0 0 "[ . 1 . 2 . 3 . ]" 1
170 1 14 GLU H 1 17 ALA H 2.000 . 3.500 3.814 3.784 3.853 0.353 4 0 "[ . 1 . 2 . 3 . ]" 1
171 1 14 GLU HA 1 17 ALA H 2.000 . 3.500 2.879 2.694 3.179 . 0 0 "[ . 1 . 2 . 3 . ]" 1
172 1 17 ALA HA 1 20 LYS HB3 2.000 . 3.300 2.327 2.209 2.457 . 0 0 "[ . 1 . 2 . 3 . ]" 1
173 1 17 ALA HA 1 20 LYS HB2 2.000 . 3.300 1.905 1.678 2.104 . 0 0 "[ . 1 . 2 . 3 . ]" 1
174 1 18 LEU H 1 18 LEU HB3 2.000 . 3.300 2.565 2.105 3.078 . 0 0 "[ . 1 . 2 . 3 . ]" 1
175 1 18 LEU H 1 18 LEU HB2 2.000 . 3.300 2.537 2.057 2.965 . 0 0 "[ . 1 . 2 . 3 . ]" 1
176 1 18 LEU H 1 18 LEU MD1 2.000 . 4.000 4.000 3.087 4.233 0.233 17 0 "[ . 1 . 2 . 3 . ]" 1
177 1 18 LEU H 1 18 LEU MD2 2.000 . 4.000 4.128 4.039 4.209 0.209 13 0 "[ . 1 . 2 . 3 . ]" 1
178 1 17 ALA H 1 18 LEU H 2.000 . 2.700 2.165 2.097 2.250 . 0 0 "[ . 1 . 2 . 3 . ]" 1
179 1 17 ALA HA 1 18 LEU H 2.000 . 3.300 3.368 3.352 3.416 0.116 15 0 "[ . 1 . 2 . 3 . ]" 1
180 1 17 ALA MB 1 18 LEU H 2.000 . 3.300 2.988 2.747 3.034 . 0 0 "[ . 1 . 2 . 3 . ]" 1
181 1 15 LEU H 1 18 LEU H 2.000 . 3.300 3.792 3.730 3.958 0.658 5 5 "[ + 1- . 2 . * 3* * . ]" 1
182 1 15 LEU HA 1 18 LEU H 2.000 . 3.300 2.953 2.830 3.067 . 0 0 "[ . 1 . 2 . 3 . ]" 1
183 1 18 LEU HA 1 21 GLU HB3 2.000 . 3.300 1.846 1.591 3.358 0.058 4 0 "[ . 1 . 2 . 3 . ]" 1
184 1 18 LEU HA 1 21 GLU HB2 2.000 . 3.300 3.018 1.813 3.317 0.017 20 0 "[ . 1 . 2 . 3 . ]" 1
185 1 18 LEU MD1 1 60 LEU HG 2.000 . 4.700 4.234 2.980 4.752 0.052 26 0 "[ . 1 . 2 . 3 . ]" 1
186 1 18 LEU MD2 1 60 LEU MD1 2.000 . 4.700 2.502 1.940 3.290 . 0 0 "[ . 1 . 2 . 3 . ]" 1
187 1 19 GLU H 1 19 GLU HB3 2.000 . 4.000 3.234 2.338 3.723 . 0 0 "[ . 1 . 2 . 3 . ]" 1
188 1 19 GLU H 1 19 GLU HB2 2.000 . 3.300 2.529 2.167 2.739 . 0 0 "[ . 1 . 2 . 3 . ]" 1
189 1 19 GLU H 1 19 GLU HG3 2.000 . 4.000 3.425 2.764 4.230 0.230 10 0 "[ . 1 . 2 . 3 . ]" 1
190 1 19 GLU H 1 19 GLU HG2 2.000 . 4.000 3.230 2.442 4.371 0.371 16 0 "[ . 1 . 2 . 3 . ]" 1
191 1 18 LEU H 1 19 GLU H 2.000 . 2.700 2.025 1.941 2.155 . 0 0 "[ . 1 . 2 . 3 . ]" 1
192 1 18 LEU HA 1 19 GLU H 2.000 . 3.300 3.400 3.370 3.443 0.143 12 0 "[ . 1 . 2 . 3 . ]" 1
193 1 18 LEU HB3 1 19 GLU H 2.000 . 3.300 2.662 2.352 2.895 . 0 0 "[ . 1 . 2 . 3 . ]" 1
194 1 18 LEU HB2 1 19 GLU H 2.000 . 4.000 3.638 2.860 4.003 0.003 15 0 "[ . 1 . 2 . 3 . ]" 1
195 1 18 LEU MD1 1 19 GLU H 2.000 . 4.000 3.971 3.532 4.466 0.466 9 0 "[ . 1 . 2 . 3 . ]" 1
196 1 18 LEU MD2 1 19 GLU H 2.000 . 4.000 3.998 3.176 4.283 0.283 31 0 "[ . 1 . 2 . 3 . ]" 1
197 1 16 GLN H 1 19 GLU H 2.000 . 3.300 3.914 3.791 4.033 0.733 17 33 "[****** **-*** * +*******************]" 1
198 1 16 GLN HA 1 19 GLU H 2.000 . 3.300 2.975 2.786 3.194 . 0 0 "[ . 1 . 2 . 3 . ]" 1
199 1 20 LYS H 1 20 LYS HB3 2.000 . 3.300 3.168 3.109 3.239 . 0 0 "[ . 1 . 2 . 3 . ]" 1
200 1 20 LYS H 1 20 LYS HB2 2.000 . 3.300 2.136 2.106 2.166 . 0 0 "[ . 1 . 2 . 3 . ]" 1
201 1 20 LYS H 1 20 LYS HG3 2.000 . 4.000 4.101 4.023 4.143 0.143 4 0 "[ . 1 . 2 . 3 . ]" 1
202 1 20 LYS H 1 20 LYS HG2 2.000 . 4.000 4.038 4.003 4.127 0.127 19 0 "[ . 1 . 2 . 3 . ]" 1
203 1 19 GLU H 1 20 LYS H 2.000 . 2.700 2.148 1.907 2.420 . 0 0 "[ . 1 . 2 . 3 . ]" 1
204 1 19 GLU HA 1 20 LYS H 2.000 . 3.300 3.397 3.307 3.457 0.157 16 0 "[ . 1 . 2 . 3 . ]" 1
205 1 19 GLU HB3 1 20 LYS H 2.000 . 4.000 3.246 2.168 3.965 . 0 0 "[ . 1 . 2 . 3 . ]" 1
206 1 19 GLU HB2 1 20 LYS H 2.000 . 3.300 2.944 2.325 3.511 0.211 25 0 "[ . 1 . 2 . 3 . ]" 1
207 1 19 GLU HG3 1 20 LYS H 2.000 . 4.000 4.146 4.033 4.231 0.231 28 0 "[ . 1 . 2 . 3 . ]" 1
208 1 19 GLU HG2 1 20 LYS H 2.000 . 4.000 4.137 4.056 4.239 0.239 4 0 "[ . 1 . 2 . 3 . ]" 1
209 1 17 ALA H 1 20 LYS H 2.000 . 3.500 3.891 3.861 3.923 0.423 33 0 "[ . 1 . 2 . 3 . ]" 1
210 1 18 LEU H 1 20 LYS H 2.000 . 4.000 3.215 3.064 3.346 . 0 0 "[ . 1 . 2 . 3 . ]" 1
211 1 20 LYS HA 1 23 ALA MB 2.000 . 4.000 2.262 1.873 3.672 . 0 0 "[ . 1 . 2 . 3 . ]" 1
212 1 17 ALA HA 1 20 LYS H 2.000 . 3.500 2.901 2.779 3.043 . 0 0 "[ . 1 . 2 . 3 . ]" 1
213 1 21 GLU H 1 21 GLU HB3 2.000 . 3.300 2.284 2.147 3.568 0.268 4 0 "[ . 1 . 2 . 3 . ]" 1
214 1 21 GLU H 1 21 GLU HB2 2.000 . 3.300 3.082 2.310 3.251 . 0 0 "[ . 1 . 2 . 3 . ]" 1
215 1 21 GLU H 1 21 GLU HG3 2.000 . 4.000 4.032 3.507 4.098 0.098 2 0 "[ . 1 . 2 . 3 . ]" 1
216 1 21 GLU H 1 21 GLU HG2 2.000 . 4.000 4.014 2.750 4.175 0.175 23 0 "[ . 1 . 2 . 3 . ]" 1
217 1 20 LYS H 1 21 GLU H 2.000 . 2.700 2.300 2.169 2.445 . 0 0 "[ . 1 . 2 . 3 . ]" 1
218 1 20 LYS HA 1 21 GLU H 2.000 . 3.300 3.352 3.288 3.385 0.085 15 0 "[ . 1 . 2 . 3 . ]" 1
219 1 20 LYS HB3 1 21 GLU H 2.000 . 3.300 3.353 3.305 3.416 0.116 35 0 "[ . 1 . 2 . 3 . ]" 1
220 1 20 LYS HB2 1 21 GLU H 2.000 . 4.000 3.526 3.439 3.647 . 0 0 "[ . 1 . 2 . 3 . ]" 1
221 1 18 LEU H 1 21 GLU H 2.000 . 3.500 3.896 3.837 3.969 0.469 4 0 "[ . 1 . 2 . 3 . ]" 1
222 1 18 LEU HA 1 21 GLU H 2.000 . 3.500 3.049 2.840 3.279 . 0 0 "[ . 1 . 2 . 3 . ]" 1
223 1 22 LEU H 1 22 LEU HB3 2.000 . 3.300 2.818 2.628 3.325 0.025 35 0 "[ . 1 . 2 . 3 . ]" 1
224 1 22 LEU H 1 22 LEU HB2 2.000 . 3.300 2.187 1.997 2.282 . 0 0 "[ . 1 . 2 . 3 . ]" 1
225 1 22 LEU H 1 22 LEU MD1 2.000 . 4.000 3.813 2.675 4.085 0.085 4 0 "[ . 1 . 2 . 3 . ]" 1
226 1 22 LEU H 1 22 LEU MD2 2.000 . 4.000 4.178 4.027 4.240 0.240 4 0 "[ . 1 . 2 . 3 . ]" 1
227 1 21 GLU H 1 22 LEU H 2.000 . 2.700 1.901 1.844 1.957 . 0 0 "[ . 1 . 2 . 3 . ]" 1
228 1 21 GLU HA 1 22 LEU H 2.000 . 3.300 3.425 3.411 3.447 0.147 5 0 "[ . 1 . 2 . 3 . ]" 1
229 1 21 GLU HB3 1 22 LEU H 2.000 . 3.300 2.870 2.775 3.315 0.015 15 0 "[ . 1 . 2 . 3 . ]" 1
230 1 21 GLU HB2 1 22 LEU H 2.000 . 4.000 3.909 2.238 4.112 0.112 12 0 "[ . 1 . 2 . 3 . ]" 1
231 1 21 GLU HG3 1 22 LEU H 2.000 . 4.000 3.598 3.432 4.332 0.332 31 0 "[ . 1 . 2 . 3 . ]" 1
232 1 21 GLU HG2 1 22 LEU H 2.000 . 4.000 3.899 3.724 4.156 0.156 4 0 "[ . 1 . 2 . 3 . ]" 1
233 1 19 GLU H 1 22 LEU H 2.000 . 3.500 3.884 3.811 3.965 0.465 31 0 "[ . 1 . 2 . 3 . ]" 1
234 1 19 GLU HA 1 22 LEU H 2.000 . 3.500 2.950 2.613 3.117 . 0 0 "[ . 1 . 2 . 3 . ]" 1
235 1 22 LEU MD1 1 64 LEU MD1 2.000 . 4.700 4.418 2.627 4.773 0.073 17 0 "[ . 1 . 2 . 3 . ]" 1
236 1 23 ALA H 1 23 ALA MB 2.000 . 3.300 2.236 2.175 2.412 . 0 0 "[ . 1 . 2 . 3 . ]" 1
237 1 22 LEU H 1 23 ALA H 2.000 . 2.700 2.327 2.232 2.567 . 0 0 "[ . 1 . 2 . 3 . ]" 1
238 1 22 LEU HA 1 23 ALA H 2.000 . 3.300 3.480 3.428 3.539 0.239 4 0 "[ . 1 . 2 . 3 . ]" 1
239 1 22 LEU HB3 1 23 ALA H 2.000 . 3.300 2.410 2.267 2.733 . 0 0 "[ . 1 . 2 . 3 . ]" 1
240 1 22 LEU HB2 1 23 ALA H 2.000 . 4.000 3.219 2.633 3.427 . 0 0 "[ . 1 . 2 . 3 . ]" 1
241 1 22 LEU MD1 1 23 ALA H 2.000 . 4.000 4.229 4.168 4.272 0.272 24 0 "[ . 1 . 2 . 3 . ]" 1
242 1 22 LEU MD2 1 23 ALA H 2.000 . 4.000 3.753 3.526 4.258 0.258 13 0 "[ . 1 . 2 . 3 . ]" 1
243 1 23 ALA HA 1 26 GLU HB3 2.000 . 4.000 3.683 1.921 4.106 0.106 12 0 "[ . 1 . 2 . 3 . ]" 1
244 1 23 ALA HA 1 26 GLU HB2 2.000 . 3.300 2.413 2.224 2.907 . 0 0 "[ . 1 . 2 . 3 . ]" 1
245 1 20 LYS H 1 23 ALA H 2.000 . 3.500 3.878 3.831 3.993 0.493 12 0 "[ . 1 . 2 . 3 . ]" 1
246 1 20 LYS HA 1 23 ALA H 2.000 . 3.500 2.959 2.732 3.640 0.140 4 0 "[ . 1 . 2 . 3 . ]" 1
247 1 24 GLN H 1 24 GLN HB3 2.000 . 3.300 2.251 2.066 3.586 0.286 20 0 "[ . 1 . 2 . 3 . ]" 1
248 1 24 GLN H 1 24 GLN HB2 2.000 . 3.300 2.806 2.272 3.195 . 0 0 "[ . 1 . 2 . 3 . ]" 1
249 1 24 GLN H 1 24 GLN HG3 2.000 . 4.000 4.132 3.408 4.248 0.248 17 0 "[ . 1 . 2 . 3 . ]" 1
250 1 24 GLN H 1 24 GLN HG2 2.000 . 4.000 4.037 2.637 4.183 0.183 26 0 "[ . 1 . 2 . 3 . ]" 1
251 1 23 ALA H 1 24 GLN H 2.000 . 2.700 2.516 2.446 2.587 . 0 0 "[ . 1 . 2 . 3 . ]" 1
252 1 23 ALA HA 1 24 GLN H 2.000 . 3.300 3.365 3.344 3.411 0.111 5 0 "[ . 1 . 2 . 3 . ]" 1
253 1 23 ALA MB 1 24 GLN H 2.000 . 4.000 3.145 3.004 3.258 . 0 0 "[ . 1 . 2 . 3 . ]" 1
254 1 21 GLU H 1 24 GLN H 2.000 . 3.500 3.973 3.932 4.165 0.665 20 3 "[ . - * . + . 3 . ]" 1
255 1 24 GLN HA 1 27 LYS HB3 2.000 . 3.300 3.059 2.674 3.326 0.026 20 0 "[ . 1 . 2 . 3 . ]" 1
256 1 24 GLN HA 1 27 LYS HB2 2.000 . 3.300 1.725 1.495 2.125 0.005 9 0 "[ . 1 . 2 . 3 . ]" 1
257 1 25 LEU H 1 25 LEU HB3 2.000 . 3.300 2.866 2.381 3.447 0.147 14 0 "[ . 1 . 2 . 3 . ]" 1
258 1 25 LEU H 1 25 LEU HB2 2.000 . 3.300 2.193 2.043 2.460 . 0 0 "[ . 1 . 2 . 3 . ]" 1
259 1 25 LEU H 1 25 LEU MD1 2.000 . 4.000 3.826 2.411 4.217 0.217 20 0 "[ . 1 . 2 . 3 . ]" 1
260 1 25 LEU H 1 25 LEU MD2 2.000 . 4.000 3.825 2.704 4.192 0.192 9 0 "[ . 1 . 2 . 3 . ]" 1
261 1 24 GLN H 1 25 LEU H 2.000 . 2.700 2.206 1.983 2.376 . 0 0 "[ . 1 . 2 . 3 . ]" 1
262 1 24 GLN HA 1 25 LEU H 2.000 . 3.300 3.376 3.328 3.404 0.104 33 0 "[ . 1 . 2 . 3 . ]" 1
263 1 24 GLN HB3 1 25 LEU H 2.000 . 3.300 2.931 2.809 3.335 0.035 20 0 "[ . 1 . 2 . 3 . ]" 1
264 1 24 GLN HB2 1 25 LEU H 2.000 . 4.000 3.928 2.180 4.203 0.203 5 0 "[ . 1 . 2 . 3 . ]" 1
265 1 24 GLN HG3 1 25 LEU H 2.000 . 4.000 3.887 3.490 4.378 0.378 25 0 "[ . 1 . 2 . 3 . ]" 1
266 1 24 GLN HG2 1 25 LEU H 2.000 . 4.000 4.028 3.926 4.169 0.169 12 0 "[ . 1 . 2 . 3 . ]" 1
267 1 23 ALA H 1 25 LEU H 2.000 . 4.000 4.072 3.987 4.156 0.156 17 0 "[ . 1 . 2 . 3 . ]" 1
268 1 25 LEU HA 1 28 GLU HB3 2.000 . 4.000 3.707 2.053 4.071 0.071 24 0 "[ . 1 . 2 . 3 . ]" 1
269 1 25 LEU HA 1 28 GLU HB2 2.000 . 3.300 2.430 2.257 2.820 . 0 0 "[ . 1 . 2 . 3 . ]" 1
270 1 25 LEU MD1 1 53 LEU HB3 2.000 . 4.700 4.686 3.662 4.771 0.071 23 0 "[ . 1 . 2 . 3 . ]" 1
271 1 25 LEU HG 1 53 LEU MD1 2.000 . 4.700 4.147 2.248 4.754 0.054 32 0 "[ . 1 . 2 . 3 . ]" 1
272 1 26 GLU H 1 26 GLU HB3 2.000 . 3.300 3.389 2.270 3.560 0.260 22 0 "[ . 1 . 2 . 3 . ]" 1
273 1 26 GLU H 1 26 GLU HB2 2.000 . 4.000 2.594 2.253 2.728 . 0 0 "[ . 1 . 2 . 3 . ]" 1
274 1 26 GLU H 1 26 GLU HG3 2.000 . 4.000 2.747 2.420 4.206 0.206 20 0 "[ . 1 . 2 . 3 . ]" 1
275 1 26 GLU H 1 26 GLU HG2 2.000 . 4.000 2.513 2.060 4.302 0.302 34 0 "[ . 1 . 2 . 3 . ]" 1
276 1 25 LEU H 1 26 GLU H 2.000 . 2.700 2.227 1.928 2.711 0.011 25 0 "[ . 1 . 2 . 3 . ]" 1
277 1 25 LEU HA 1 26 GLU H 2.000 . 3.300 3.393 3.275 3.463 0.163 18 0 "[ . 1 . 2 . 3 . ]" 1
278 1 25 LEU HB3 1 26 GLU H 2.000 . 3.300 2.549 2.007 3.412 0.112 14 0 "[ . 1 . 2 . 3 . ]" 1
279 1 25 LEU HB2 1 26 GLU H 2.000 . 3.300 3.120 2.439 3.579 0.279 33 0 "[ . 1 . 2 . 3 . ]" 1
280 1 25 LEU MD1 1 26 GLU H 2.000 . 4.000 4.131 3.385 4.274 0.274 4 0 "[ . 1 . 2 . 3 . ]" 1
281 1 25 LEU MD2 1 26 GLU H 2.000 . 4.000 3.853 2.820 4.242 0.242 22 0 "[ . 1 . 2 . 3 . ]" 1
282 1 27 LYS H 1 27 LYS HB3 2.000 . 4.000 3.505 3.293 3.673 . 0 0 "[ . 1 . 2 . 3 . ]" 1
283 1 27 LYS H 1 27 LYS HB2 2.000 . 3.300 2.254 2.135 2.455 . 0 0 "[ . 1 . 2 . 3 . ]" 1
284 1 27 LYS H 1 27 LYS HG3 2.000 . 4.000 3.567 2.875 4.094 0.094 30 0 "[ . 1 . 2 . 3 . ]" 1
285 1 27 LYS H 1 27 LYS HG2 2.000 . 4.000 3.861 3.369 4.102 0.102 28 0 "[ . 1 . 2 . 3 . ]" 1
286 1 26 GLU H 1 27 LYS H 2.000 . 2.700 2.193 1.894 2.378 . 0 0 "[ . 1 . 2 . 3 . ]" 1
287 1 26 GLU HA 1 27 LYS H 2.000 . 3.300 3.368 3.332 3.432 0.132 34 0 "[ . 1 . 2 . 3 . ]" 1
288 1 26 GLU HB3 1 27 LYS H 2.000 . 4.000 3.788 2.285 4.044 0.044 2 0 "[ . 1 . 2 . 3 . ]" 1
289 1 26 GLU HB2 1 27 LYS H 2.000 . 3.300 2.912 2.642 3.547 0.247 20 0 "[ . 1 . 2 . 3 . ]" 1
290 1 26 GLU HG3 1 27 LYS H 2.000 . 4.000 4.111 4.068 4.219 0.219 12 0 "[ . 1 . 2 . 3 . ]" 1
291 1 26 GLU HG2 1 27 LYS H 2.000 . 4.000 4.143 4.051 4.232 0.232 12 0 "[ . 1 . 2 . 3 . ]" 1
292 1 24 GLN H 1 27 LYS H 2.000 . 3.500 4.022 3.942 4.171 0.671 2 21 "[ + * *-** **.** 2*********3* * ]" 1
293 1 28 GLU H 1 28 GLU HB3 2.000 . 4.000 3.523 2.327 3.729 . 0 0 "[ . 1 . 2 . 3 . ]" 1
294 1 28 GLU H 1 28 GLU HB2 2.000 . 3.300 2.614 2.294 2.707 . 0 0 "[ . 1 . 2 . 3 . ]" 1
295 1 28 GLU H 1 28 GLU HG3 2.000 . 4.000 3.207 2.886 4.241 0.241 28 0 "[ . 1 . 2 . 3 . ]" 1
296 1 28 GLU H 1 28 GLU HG2 2.000 . 4.000 2.797 2.470 4.348 0.348 27 0 "[ . 1 . 2 . 3 . ]" 1
297 1 27 LYS H 1 28 GLU H 2.000 . 2.700 2.227 2.157 2.369 . 0 0 "[ . 1 . 2 . 3 . ]" 1
298 1 27 LYS HA 1 28 GLU H 2.000 . 3.300 3.447 3.408 3.490 0.190 32 0 "[ . 1 . 2 . 3 . ]" 1
299 1 27 LYS HB3 1 28 GLU H 2.000 . 4.000 3.444 3.066 3.644 . 0 0 "[ . 1 . 2 . 3 . ]" 1
300 1 27 LYS HB2 1 28 GLU H 2.000 . 3.300 3.019 2.751 3.279 . 0 0 "[ . 1 . 2 . 3 . ]" 1
301 1 28 GLU HA 1 31 ALA MB 2.000 . 4.000 3.513 2.443 4.080 0.080 30 0 "[ . 1 . 2 . 3 . ]" 1
302 1 25 LEU H 1 28 GLU H 2.000 . 3.500 3.887 3.739 4.054 0.554 25 1 "[ . 1 . 2 + 3 . ]" 1
303 1 25 LEU HA 1 28 GLU H 2.000 . 3.500 2.955 2.802 3.141 . 0 0 "[ . 1 . 2 . 3 . ]" 1
304 1 29 LEU H 1 29 LEU HB3 2.000 . 4.000 2.987 2.783 3.501 . 0 0 "[ . 1 . 2 . 3 . ]" 1
305 1 29 LEU H 1 29 LEU HB2 2.000 . 3.300 2.113 2.026 2.202 . 0 0 "[ . 1 . 2 . 3 . ]" 1
306 1 29 LEU H 1 29 LEU MD1 2.000 . 4.000 3.890 2.345 4.087 0.087 29 0 "[ . 1 . 2 . 3 . ]" 1
307 1 29 LEU H 1 29 LEU MD2 2.000 . 4.000 4.213 4.016 4.247 0.247 28 0 "[ . 1 . 2 . 3 . ]" 1
308 1 28 GLU H 1 29 LEU H 2.000 . 2.700 2.137 2.062 2.220 . 0 0 "[ . 1 . 2 . 3 . ]" 1
309 1 28 GLU HA 1 29 LEU H 2.000 . 3.300 3.428 3.383 3.472 0.172 28 0 "[ . 1 . 2 . 3 . ]" 1
310 1 28 GLU HB3 1 29 LEU H 2.000 . 4.000 3.556 2.254 3.897 . 0 0 "[ . 1 . 2 . 3 . ]" 1
311 1 28 GLU HB2 1 29 LEU H 2.000 . 3.300 2.698 2.477 3.537 0.237 30 0 "[ . 1 . 2 . 3 . ]" 1
312 1 28 GLU HG3 1 29 LEU H 2.000 . 4.000 4.175 4.042 4.227 0.227 36 0 "[ . 1 . 2 . 3 . ]" 1
313 1 28 GLU HG2 1 29 LEU H 2.000 . 4.000 4.133 4.039 4.176 0.176 14 0 "[ . 1 . 2 . 3 . ]" 1
314 1 26 GLU H 1 29 LEU H 2.000 . 3.500 3.860 3.788 3.954 0.454 36 0 "[ . 1 . 2 . 3 . ]" 1
315 1 26 GLU HA 1 29 LEU H 2.000 . 4.000 2.963 2.660 3.276 . 0 0 "[ . 1 . 2 . 3 . ]" 1
316 1 29 LEU MD1 1 57 LEU MD2 2.000 . 4.700 4.562 4.024 4.781 0.081 32 0 "[ . 1 . 2 . 3 . ]" 1
317 1 30 GLN H 1 30 GLN HB3 2.000 . 3.300 2.279 2.066 3.622 0.322 15 0 "[ . 1 . 2 . 3 . ]" 1
318 1 30 GLN H 1 30 GLN HB2 2.000 . 3.300 3.162 2.043 3.396 0.096 5 0 "[ . 1 . 2 . 3 . ]" 1
319 1 30 GLN H 1 30 GLN HG3 2.000 . 4.000 3.814 3.132 4.232 0.232 8 0 "[ . 1 . 2 . 3 . ]" 1
320 1 30 GLN H 1 30 GLN HG2 2.000 . 4.000 3.926 2.215 4.150 0.150 7 0 "[ . 1 . 2 . 3 . ]" 1
321 1 29 LEU H 1 30 GLN H 2.000 . 2.700 2.565 2.494 2.687 . 0 0 "[ . 1 . 2 . 3 . ]" 1
322 1 29 LEU HA 1 30 GLN H 2.000 . 3.300 3.526 3.469 3.548 0.248 28 0 "[ . 1 . 2 . 3 . ]" 1
323 1 29 LEU HB3 1 30 GLN H 2.000 . 4.000 2.408 2.294 2.908 . 0 0 "[ . 1 . 2 . 3 . ]" 1
324 1 29 LEU HB2 1 30 GLN H 2.000 . 3.300 3.138 2.533 3.324 0.024 29 0 "[ . 1 . 2 . 3 . ]" 1
325 1 29 LEU MD1 1 30 GLN H 2.000 . 4.000 4.202 4.096 4.293 0.293 4 0 "[ . 1 . 2 . 3 . ]" 1
326 1 29 LEU MD2 1 30 GLN H 2.000 . 4.000 3.871 3.627 4.240 0.240 23 0 "[ . 1 . 2 . 3 . ]" 1
327 1 27 LYS H 1 30 GLN H 2.000 . 3.300 3.941 3.816 4.182 0.882 30 36 [**********-******************+******] 1
328 1 31 ALA H 1 31 ALA MB 2.000 . 3.300 2.268 2.239 2.331 . 0 0 "[ . 1 . 2 . 3 . ]" 1
329 1 30 GLN H 1 31 ALA H 2.000 . 2.700 2.602 2.420 2.912 0.212 8 0 "[ . 1 . 2 . 3 . ]" 1
330 1 30 GLN HA 1 31 ALA H 2.000 . 3.300 3.466 3.373 3.520 0.220 34 0 "[ . 1 . 2 . 3 . ]" 1
331 1 30 GLN HB3 1 31 ALA H 2.000 . 3.300 3.042 1.619 3.377 0.077 5 0 "[ . 1 . 2 . 3 . ]" 1
332 1 30 GLN HB2 1 31 ALA H 2.000 . 4.000 3.878 2.074 4.124 0.124 20 0 "[ . 1 . 2 . 3 . ]" 1
333 1 30 GLN HG3 1 31 ALA H 2.000 . 4.000 2.859 2.232 4.295 0.295 22 0 "[ . 1 . 2 . 3 . ]" 1
334 1 30 GLN HG2 1 31 ALA H 2.000 . 4.000 3.671 2.531 4.212 0.212 22 0 "[ . 1 . 2 . 3 . ]" 1
335 1 31 ALA H 1 32 TRP H 2.000 . 2.700 2.667 2.506 2.870 0.170 22 0 "[ . 1 . 2 . 3 . ]" 1
336 1 32 TRP HA 1 33 ASN H 2.000 . 4.000 3.507 3.362 3.597 . 0 0 "[ . 1 . 2 . 3 . ]" 1
337 1 39 GLU H 1 39 GLU HG3 2.000 . 4.000 3.197 2.795 4.042 0.042 8 0 "[ . 1 . 2 . 3 . ]" 1
338 1 39 GLU H 1 39 GLU HG2 2.000 . 4.000 3.779 2.350 4.041 0.041 19 0 "[ . 1 . 2 . 3 . ]" 1
339 1 41 CYS H 1 41 CYS HB3 2.000 . 4.000 3.379 2.553 3.867 . 0 0 "[ . 1 . 2 . 3 . ]" 1
340 1 41 CYS H 1 41 CYS HB2 2.000 . 4.000 2.821 2.454 3.818 . 0 0 "[ . 1 . 2 . 3 . ]" 1
341 1 42 SER H 1 42 SER HB3 2.000 . 4.000 3.418 2.603 4.050 0.050 29 0 "[ . 1 . 2 . 3 . ]" 1
342 1 42 SER H 1 42 SER HB2 2.000 . 4.000 3.053 2.467 4.022 0.022 3 0 "[ . 1 . 2 . 3 . ]" 1
343 1 45 ALA H 1 45 ALA MB 2.000 . 4.000 2.496 2.262 2.858 . 0 0 "[ . 1 . 2 . 3 . ]" 1
344 1 47 LEU H 1 47 LEU HB3 2.000 . 4.000 3.699 3.555 4.087 0.087 16 0 "[ . 1 . 2 . 3 . ]" 1
345 1 47 LEU H 1 47 LEU HB2 2.000 . 3.300 2.545 2.325 3.401 0.101 16 0 "[ . 1 . 2 . 3 . ]" 1
346 1 47 LEU H 1 47 LEU MD1 2.000 . 4.000 3.488 1.918 4.055 0.055 32 0 "[ . 1 . 2 . 3 . ]" 1
347 1 47 LEU H 1 47 LEU MD2 2.000 . 4.000 3.885 2.625 4.109 0.109 32 0 "[ . 1 . 2 . 3 . ]" 1
348 1 46 PRO HA 1 47 LEU H 2.000 . 4.000 2.452 2.160 3.568 . 0 0 "[ . 1 . 2 . 3 . ]" 1
349 1 46 PRO HB3 1 47 LEU H 2.000 . 3.300 3.186 2.752 3.375 0.075 16 0 "[ . 1 . 2 . 3 . ]" 1
350 1 46 PRO HB2 1 47 LEU H 2.000 . 3.300 3.027 1.747 3.377 0.077 32 0 "[ . 1 . 2 . 3 . ]" 1
351 1 48 TYR H 1 48 TYR HB3 2.000 . 4.000 3.628 2.879 4.067 0.067 10 0 "[ . 1 . 2 . 3 . ]" 1
352 1 48 TYR H 1 48 TYR HB2 2.000 . 3.300 2.814 2.458 3.518 0.218 29 0 "[ . 1 . 2 . 3 . ]" 1
353 1 47 LEU HA 1 48 TYR H 2.000 . 3.300 3.370 3.302 3.508 0.208 1 0 "[ . 1 . 2 . 3 . ]" 1
354 1 47 LEU HB3 1 48 TYR H 2.000 . 4.000 3.972 3.111 4.142 0.142 32 0 "[ . 1 . 2 . 3 . ]" 1
355 1 47 LEU HB2 1 48 TYR H 2.000 . 3.300 3.175 2.117 3.345 0.045 22 0 "[ . 1 . 2 . 3 . ]" 1
356 1 49 SER HB3 1 50 ASP H 2.000 . 4.000 2.981 1.800 4.059 0.059 10 0 "[ . 1 . 2 . 3 . ]" 1
357 1 49 SER HB2 1 50 ASP H 2.000 . 4.000 3.005 1.768 4.045 0.045 5 0 "[ . 1 . 2 . 3 . ]" 1
358 1 52 ALA H 1 52 ALA MB 2.000 . 3.300 2.197 2.015 2.291 . 0 0 "[ . 1 . 2 . 3 . ]" 1
359 1 53 LEU H 1 53 LEU HB3 2.000 . 3.300 2.930 2.418 3.475 0.175 25 0 "[ . 1 . 2 . 3 . ]" 1
360 1 53 LEU H 1 53 LEU HB2 2.000 . 3.300 2.440 2.157 3.450 0.150 14 0 "[ . 1 . 2 . 3 . ]" 1
361 1 53 LEU H 1 53 LEU MD1 2.000 . 4.000 4.044 2.633 4.196 0.196 32 0 "[ . 1 . 2 . 3 . ]" 1
362 1 53 LEU H 1 53 LEU MD2 2.000 . 4.000 3.889 2.186 4.192 0.192 27 0 "[ . 1 . 2 . 3 . ]" 1
363 1 52 ALA HA 1 53 LEU H 2.000 . 3.300 3.335 3.278 3.451 0.151 25 0 "[ . 1 . 2 . 3 . ]" 1
364 1 52 ALA MB 1 53 LEU H 2.000 . 3.300 3.193 2.811 3.296 . 0 0 "[ . 1 . 2 . 3 . ]" 1
365 1 54 LYS H 1 54 LYS HB3 2.000 . 4.000 3.588 3.549 3.609 . 0 0 "[ . 1 . 2 . 3 . ]" 1
366 1 54 LYS H 1 54 LYS HB2 2.000 . 3.300 2.387 2.283 2.434 . 0 0 "[ . 1 . 2 . 3 . ]" 1
367 1 54 LYS H 1 54 LYS HG3 2.000 . 4.000 2.561 2.389 3.569 . 0 0 "[ . 1 . 2 . 3 . ]" 1
368 1 54 LYS H 1 54 LYS HG2 2.000 . 4.000 3.537 2.430 4.033 0.033 3 0 "[ . 1 . 2 . 3 . ]" 1
369 1 53 LEU H 1 54 LYS H 2.000 . 2.700 2.484 2.344 2.565 . 0 0 "[ . 1 . 2 . 3 . ]" 1
370 1 53 LEU HA 1 54 LYS H 2.000 . 3.300 3.485 3.453 3.506 0.206 15 0 "[ . 1 . 2 . 3 . ]" 1
371 1 53 LEU HB3 1 54 LYS H 2.000 . 3.300 2.162 1.813 3.573 0.273 24 0 "[ . 1 . 2 . 3 . ]" 1
372 1 53 LEU HB2 1 54 LYS H 2.000 . 4.000 2.885 2.215 3.374 . 0 0 "[ . 1 . 2 . 3 . ]" 1
373 1 53 LEU MD1 1 54 LYS H 2.000 . 4.000 4.009 2.712 4.179 0.179 31 0 "[ . 1 . 2 . 3 . ]" 1
374 1 53 LEU MD2 1 54 LYS H 2.000 . 4.000 3.357 2.693 4.174 0.174 2 0 "[ . 1 . 2 . 3 . ]" 1
375 1 54 LYS HA 1 57 LEU HB3 2.000 . 3.300 3.074 2.051 3.313 0.013 15 0 "[ . 1 . 2 . 3 . ]" 1
376 1 54 LYS HA 1 57 LEU HB2 2.000 . 3.300 2.295 2.115 3.338 0.038 7 0 "[ . 1 . 2 . 3 . ]" 1
377 1 55 LYS H 1 55 LYS HB3 2.000 . 3.300 3.431 3.392 3.469 0.169 14 0 "[ . 1 . 2 . 3 . ]" 1
378 1 55 LYS H 1 55 LYS HB2 2.000 . 3.300 2.215 2.193 2.238 . 0 0 "[ . 1 . 2 . 3 . ]" 1
379 1 55 LYS H 1 55 LYS HG3 2.000 . 4.000 3.662 3.173 4.043 0.043 25 0 "[ . 1 . 2 . 3 . ]" 1
380 1 55 LYS H 1 55 LYS HG2 2.000 . 4.000 3.757 3.422 4.074 0.074 20 0 "[ . 1 . 2 . 3 . ]" 1
381 1 54 LYS H 1 55 LYS H 2.000 . 2.700 2.685 2.599 2.740 0.040 14 0 "[ . 1 . 2 . 3 . ]" 1
382 1 54 LYS HA 1 55 LYS H 2.000 . 3.300 3.327 3.311 3.347 0.047 13 0 "[ . 1 . 2 . 3 . ]" 1
383 1 54 LYS HB3 1 55 LYS H 2.000 . 4.000 3.978 3.883 4.010 0.010 33 0 "[ . 1 . 2 . 3 . ]" 1
384 1 54 LYS HB2 1 55 LYS H 2.000 . 3.300 3.286 3.229 3.321 0.021 33 0 "[ . 1 . 2 . 3 . ]" 1
385 1 55 LYS HA 1 58 ALA MB 2.000 . 3.300 2.170 2.038 2.272 . 0 0 "[ . 1 . 2 . 3 . ]" 1
386 1 56 LYS H 1 56 LYS HB3 2.000 . 4.000 3.542 3.453 3.583 . 0 0 "[ . 1 . 2 . 3 . ]" 1
387 1 56 LYS H 1 56 LYS HB2 2.000 . 3.300 2.238 2.164 2.281 . 0 0 "[ . 1 . 2 . 3 . ]" 1
388 1 56 LYS H 1 56 LYS HG3 2.000 . 4.000 3.356 2.971 4.034 0.034 28 0 "[ . 1 . 2 . 3 . ]" 1
389 1 56 LYS H 1 56 LYS HG2 2.000 . 4.000 3.770 3.144 4.046 0.046 31 0 "[ . 1 . 2 . 3 . ]" 1
390 1 55 LYS H 1 56 LYS H 2.000 . 2.700 2.073 2.011 2.114 . 0 0 "[ . 1 . 2 . 3 . ]" 1
391 1 55 LYS HA 1 56 LYS H 2.000 . 3.300 3.504 3.483 3.512 0.212 34 0 "[ . 1 . 2 . 3 . ]" 1
392 1 55 LYS HB3 1 56 LYS H 2.000 . 3.300 3.284 3.202 3.326 0.026 19 0 "[ . 1 . 2 . 3 . ]" 1
393 1 55 LYS HB2 1 56 LYS H 2.000 . 4.000 2.795 2.683 2.908 . 0 0 "[ . 1 . 2 . 3 . ]" 1
394 1 53 LEU H 1 56 LYS H 2.000 . 3.500 3.865 3.810 3.921 0.421 32 0 "[ . 1 . 2 . 3 . ]" 1
395 1 53 LEU HA 1 56 LYS H 2.000 . 3.500 3.375 3.096 3.585 0.085 19 0 "[ . 1 . 2 . 3 . ]" 1
396 1 56 LYS HA 1 59 GLN HB3 2.000 . 3.300 2.077 2.022 2.146 . 0 0 "[ . 1 . 2 . 3 . ]" 1
397 1 56 LYS HA 1 59 GLN HB2 2.000 . 3.300 3.351 3.332 3.368 0.068 28 0 "[ . 1 . 2 . 3 . ]" 1
398 1 57 LEU H 1 57 LEU HB3 2.000 . 3.300 3.173 2.145 3.338 0.038 27 0 "[ . 1 . 2 . 3 . ]" 1
399 1 57 LEU H 1 57 LEU HB2 2.000 . 4.000 2.194 2.103 2.994 . 0 0 "[ . 1 . 2 . 3 . ]" 1
400 1 57 LEU H 1 57 LEU MD1 2.000 . 4.000 3.080 2.738 4.201 0.201 7 0 "[ . 1 . 2 . 3 . ]" 1
401 1 57 LEU H 1 57 LEU MD2 2.000 . 4.000 4.011 2.919 4.176 0.176 18 0 "[ . 1 . 2 . 3 . ]" 1
402 1 56 LYS H 1 57 LEU H 2.000 . 2.700 2.364 2.302 2.401 . 0 0 "[ . 1 . 2 . 3 . ]" 1
403 1 56 LYS HA 1 57 LEU H 2.000 . 3.300 3.260 3.249 3.277 . 0 0 "[ . 1 . 2 . 3 . ]" 1
404 1 56 LYS HB3 1 57 LEU H 2.000 . 4.000 3.802 3.646 3.882 . 0 0 "[ . 1 . 2 . 3 . ]" 1
405 1 56 LYS HB2 1 57 LEU H 2.000 . 3.300 3.344 3.329 3.362 0.062 22 0 "[ . 1 . 2 . 3 . ]" 1
406 1 58 ALA H 1 58 ALA MB 2.000 . 3.300 2.267 2.214 2.306 . 0 0 "[ . 1 . 2 . 3 . ]" 1
407 1 57 LEU H 1 58 ALA H 2.000 . 2.700 1.979 1.929 2.010 . 0 0 "[ . 1 . 2 . 3 . ]" 1
408 1 57 LEU HA 1 58 ALA H 2.000 . 3.300 3.469 3.422 3.489 0.189 20 0 "[ . 1 . 2 . 3 . ]" 1
409 1 57 LEU HB3 1 58 ALA H 2.000 . 3.300 2.803 2.233 2.943 . 0 0 "[ . 1 . 2 . 3 . ]" 1
410 1 57 LEU HB2 1 58 ALA H 2.000 . 4.000 2.699 2.498 3.906 . 0 0 "[ . 1 . 2 . 3 . ]" 1
411 1 57 LEU MD1 1 58 ALA H 2.000 . 4.000 4.134 4.095 4.249 0.249 33 0 "[ . 1 . 2 . 3 . ]" 1
412 1 57 LEU MD2 1 58 ALA H 2.000 . 4.000 4.146 3.423 4.258 0.258 27 0 "[ . 1 . 2 . 3 . ]" 1
413 1 55 LYS H 1 58 ALA H 2.000 . 3.500 3.835 3.809 3.869 0.369 34 0 "[ . 1 . 2 . 3 . ]" 1
414 1 55 LYS HA 1 58 ALA H 2.000 . 3.500 2.978 2.792 3.188 . 0 0 "[ . 1 . 2 . 3 . ]" 1
415 1 58 ALA HA 1 61 LYS HB3 2.000 . 3.300 3.374 3.345 3.401 0.101 14 0 "[ . 1 . 2 . 3 . ]" 1
416 1 58 ALA HA 1 61 LYS HB2 2.000 . 3.300 2.201 2.045 2.671 . 0 0 "[ . 1 . 2 . 3 . ]" 1
417 1 59 GLN H 1 59 GLN HB3 2.000 . 3.300 2.145 2.137 2.159 . 0 0 "[ . 1 . 2 . 3 . ]" 1
418 1 59 GLN H 1 59 GLN HB2 2.000 . 3.300 2.932 2.882 3.010 . 0 0 "[ . 1 . 2 . 3 . ]" 1
419 1 59 GLN H 1 59 GLN HG3 2.000 . 4.000 4.195 4.145 4.210 0.210 16 0 "[ . 1 . 2 . 3 . ]" 1
420 1 59 GLN H 1 59 GLN HG2 2.000 . 4.000 4.129 4.106 4.147 0.147 36 0 "[ . 1 . 2 . 3 . ]" 1
421 1 58 ALA H 1 59 GLN H 2.000 . 2.700 2.536 2.451 2.590 . 0 0 "[ . 1 . 2 . 3 . ]" 1
422 1 58 ALA HA 1 59 GLN H 2.000 . 3.300 3.377 3.365 3.387 0.087 17 0 "[ . 1 . 2 . 3 . ]" 1
423 1 58 ALA MB 1 59 GLN H 2.000 . 3.300 2.981 2.931 3.056 . 0 0 "[ . 1 . 2 . 3 . ]" 1
424 1 56 LYS HA 1 59 GLN H 2.000 . 3.500 3.326 3.277 3.391 . 0 0 "[ . 1 . 2 . 3 . ]" 1
425 1 59 GLN HA 1 62 TRP HB3 2.000 . 3.300 2.783 2.471 3.128 . 0 0 "[ . 1 . 2 . 3 . ]" 1
426 1 59 GLN HA 1 62 TRP HB2 2.000 . 3.300 2.288 2.189 2.430 . 0 0 "[ . 1 . 2 . 3 . ]" 1
427 1 60 LEU H 1 60 LEU HB3 2.000 . 3.300 2.496 2.093 3.175 . 0 0 "[ . 1 . 2 . 3 . ]" 1
428 1 60 LEU H 1 60 LEU HB2 2.000 . 3.300 2.550 2.125 2.954 . 0 0 "[ . 1 . 2 . 3 . ]" 1
429 1 60 LEU H 1 60 LEU MD1 2.000 . 4.000 4.106 4.042 4.244 0.244 8 0 "[ . 1 . 2 . 3 . ]" 1
430 1 60 LEU H 1 60 LEU MD2 2.000 . 4.000 4.072 3.017 4.202 0.202 1 0 "[ . 1 . 2 . 3 . ]" 1
431 1 59 GLN H 1 60 LEU H 2.000 . 2.700 1.987 1.934 2.023 . 0 0 "[ . 1 . 2 . 3 . ]" 1
432 1 59 GLN HA 1 60 LEU H 2.000 . 3.300 3.401 3.384 3.412 0.112 36 0 "[ . 1 . 2 . 3 . ]" 1
433 1 59 GLN HB3 1 60 LEU H 2.000 . 3.300 2.893 2.854 2.938 . 0 0 "[ . 1 . 2 . 3 . ]" 1
434 1 59 GLN HB2 1 60 LEU H 2.000 . 4.000 4.082 4.062 4.107 0.107 33 0 "[ . 1 . 2 . 3 . ]" 1
435 1 59 GLN HG3 1 60 LEU H 2.000 . 4.000 3.960 3.789 4.017 0.017 9 0 "[ . 1 . 2 . 3 . ]" 1
436 1 59 GLN HG2 1 60 LEU H 2.000 . 4.000 4.020 4.009 4.033 0.033 10 0 "[ . 1 . 2 . 3 . ]" 1
437 1 57 LEU H 1 60 LEU H 2.000 . 3.500 3.905 3.869 3.950 0.450 8 0 "[ . 1 . 2 . 3 . ]" 1
438 1 57 LEU HA 1 60 LEU H 2.000 . 3.500 2.960 2.863 3.066 . 0 0 "[ . 1 . 2 . 3 . ]" 1
439 1 60 LEU HA 1 63 LYS HB3 2.000 . 3.300 3.296 3.091 3.345 0.045 19 0 "[ . 1 . 2 . 3 . ]" 1
440 1 60 LEU HA 1 63 LYS HB2 2.000 . 4.000 1.866 1.697 2.004 . 0 0 "[ . 1 . 2 . 3 . ]" 1
441 1 61 LYS H 1 61 LYS HB3 2.000 . 3.300 3.322 3.117 3.403 0.103 28 0 "[ . 1 . 2 . 3 . ]" 1
442 1 61 LYS H 1 61 LYS HB2 2.000 . 3.300 2.120 2.022 2.174 . 0 0 "[ . 1 . 2 . 3 . ]" 1
443 1 61 LYS H 1 61 LYS HG3 2.000 . 4.000 3.738 3.208 4.087 0.087 21 0 "[ . 1 . 2 . 3 . ]" 1
444 1 61 LYS H 1 61 LYS HG2 2.000 . 4.000 3.844 3.612 4.135 0.135 34 0 "[ . 1 . 2 . 3 . ]" 1
445 1 60 LEU HA 1 61 LYS H 2.000 . 3.300 3.293 3.157 3.435 0.135 1 0 "[ . 1 . 2 . 3 . ]" 1
446 1 60 LEU HB3 1 61 LYS H 2.000 . 3.300 2.960 2.257 3.393 0.093 28 0 "[ . 1 . 2 . 3 . ]" 1
447 1 60 LEU HB2 1 61 LYS H 2.000 . 4.000 3.893 3.272 4.042 0.042 4 0 "[ . 1 . 2 . 3 . ]" 1
448 1 60 LEU MD1 1 61 LYS H 2.000 . 4.000 3.933 3.468 4.343 0.343 2 0 "[ . 1 . 2 . 3 . ]" 1
449 1 60 LEU MD2 1 61 LYS H 2.000 . 4.000 4.108 3.241 4.306 0.306 28 0 "[ . 1 . 2 . 3 . ]" 1
450 1 62 TRP H 1 62 TRP HB3 2.000 . 4.000 3.068 2.964 3.193 . 0 0 "[ . 1 . 2 . 3 . ]" 1
451 1 62 TRP H 1 62 TRP HB2 2.000 . 3.300 2.190 2.154 2.237 . 0 0 "[ . 1 . 2 . 3 . ]" 1
452 1 61 LYS H 1 62 TRP H 2.000 . 2.700 1.965 1.800 2.345 . 0 0 "[ . 1 . 2 . 3 . ]" 1
453 1 61 LYS HA 1 62 TRP H 2.000 . 3.300 3.407 3.390 3.428 0.128 19 0 "[ . 1 . 2 . 3 . ]" 1
454 1 61 LYS HB3 1 62 TRP H 2.000 . 3.300 3.261 2.992 3.319 0.019 30 0 "[ . 1 . 2 . 3 . ]" 1
455 1 61 LYS HB2 1 62 TRP H 2.000 . 4.000 2.911 2.728 3.155 . 0 0 "[ . 1 . 2 . 3 . ]" 1
456 1 59 GLN HA 1 62 TRP H 2.000 . 3.300 3.140 3.038 3.287 . 0 0 "[ . 1 . 2 . 3 . ]" 1
457 1 63 LYS H 1 63 LYS HB3 2.000 . 4.000 3.544 3.452 3.589 . 0 0 "[ . 1 . 2 . 3 . ]" 1
458 1 63 LYS H 1 63 LYS HB2 2.000 . 3.300 2.255 2.179 2.309 . 0 0 "[ . 1 . 2 . 3 . ]" 1
459 1 63 LYS H 1 63 LYS HG3 2.000 . 4.000 3.334 3.028 4.017 0.017 10 0 "[ . 1 . 2 . 3 . ]" 1
460 1 63 LYS H 1 63 LYS HG2 2.000 . 4.000 3.874 3.250 4.066 0.066 36 0 "[ . 1 . 2 . 3 . ]" 1
461 1 62 TRP H 1 63 LYS H 2.000 . 2.700 2.145 2.082 2.203 . 0 0 "[ . 1 . 2 . 3 . ]" 1
462 1 62 TRP HA 1 63 LYS H 2.000 . 3.300 3.453 3.417 3.468 0.168 26 0 "[ . 1 . 2 . 3 . ]" 1
463 1 62 TRP HB3 1 63 LYS H 2.000 . 3.300 3.000 2.787 3.218 . 0 0 "[ . 1 . 2 . 3 . ]" 1
464 1 62 TRP HB2 1 63 LYS H 2.000 . 3.300 3.351 3.301 3.396 0.096 15 0 "[ . 1 . 2 . 3 . ]" 1
465 1 61 LYS H 1 63 LYS H 2.000 . 4.000 3.073 2.917 3.450 . 0 0 "[ . 1 . 2 . 3 . ]" 1
466 1 60 LEU H 1 63 LYS H 2.000 . 3.500 3.936 3.880 3.981 0.481 4 0 "[ . 1 . 2 . 3 . ]" 1
467 1 60 LEU HA 1 63 LYS H 2.000 . 3.500 2.977 2.847 3.123 . 0 0 "[ . 1 . 2 . 3 . ]" 1
468 1 63 LYS HA 1 66 ALA MB 2.000 . 3.300 2.035 1.900 2.675 . 0 0 "[ . 1 . 2 . 3 . ]" 1
469 1 64 LEU H 1 64 LEU HB3 2.000 . 3.300 2.488 1.987 3.383 0.083 13 0 "[ . 1 . 2 . 3 . ]" 1
470 1 64 LEU H 1 64 LEU HB2 2.000 . 3.300 2.582 2.018 3.327 0.027 28 0 "[ . 1 . 2 . 3 . ]" 1
471 1 64 LEU H 1 64 LEU MD1 2.000 . 4.000 3.863 2.335 4.304 0.304 14 0 "[ . 1 . 2 . 3 . ]" 1
472 1 64 LEU H 1 64 LEU MD2 2.000 . 4.000 4.059 3.565 4.197 0.197 30 0 "[ . 1 . 2 . 3 . ]" 1
473 1 63 LYS H 1 64 LEU H 2.000 . 2.700 2.320 2.207 2.375 . 0 0 "[ . 1 . 2 . 3 . ]" 1
474 1 63 LYS HA 1 64 LEU H 2.000 . 3.300 3.359 3.323 3.459 0.159 15 0 "[ . 1 . 2 . 3 . ]" 1
475 1 63 LYS HB3 1 64 LEU H 2.000 . 4.000 3.777 3.354 3.900 . 0 0 "[ . 1 . 2 . 3 . ]" 1
476 1 63 LYS HB2 1 64 LEU H 2.000 . 3.300 3.292 2.875 3.362 0.062 7 0 "[ . 1 . 2 . 3 . ]" 1
477 1 62 TRP H 1 64 LEU H 2.000 . 4.000 3.397 3.319 3.548 . 0 0 "[ . 1 . 2 . 3 . ]" 1
478 1 61 LYS H 1 64 LEU H 2.000 . 3.500 3.903 3.788 4.160 0.660 14 5 "[*- . 1 *+. *2 . 3 . ]" 1
479 1 65 GLN H 1 65 GLN HB3 2.000 . 3.300 2.166 2.035 3.480 0.180 17 0 "[ . 1 . 2 . 3 . ]" 1
480 1 65 GLN H 1 65 GLN HB2 2.000 . 3.300 2.939 2.262 3.308 0.008 15 0 "[ . 1 . 2 . 3 . ]" 1
481 1 65 GLN H 1 65 GLN HG3 2.000 . 4.000 4.067 2.700 4.233 0.233 6 0 "[ . 1 . 2 . 3 . ]" 1
482 1 65 GLN H 1 65 GLN HG2 2.000 . 4.000 3.966 2.587 4.115 0.115 6 0 "[ . 1 . 2 . 3 . ]" 1
483 1 64 LEU H 1 65 GLN H 2.000 . 2.700 2.235 2.063 2.594 . 0 0 "[ . 1 . 2 . 3 . ]" 1
484 1 64 LEU HA 1 65 GLN H 2.000 . 3.300 3.318 3.212 3.404 0.104 1 0 "[ . 1 . 2 . 3 . ]" 1
485 1 64 LEU HB3 1 65 GLN H 2.000 . 3.300 2.744 2.302 3.403 0.103 20 0 "[ . 1 . 2 . 3 . ]" 1
486 1 64 LEU HB2 1 65 GLN H 2.000 . 4.000 3.629 2.469 4.186 0.186 26 0 "[ . 1 . 2 . 3 . ]" 1
487 1 64 LEU MD1 1 65 GLN H 2.000 . 4.000 4.128 3.527 4.493 0.493 33 0 "[ . 1 . 2 . 3 . ]" 1
488 1 64 LEU MD2 1 65 GLN H 2.000 . 4.000 3.995 3.369 4.208 0.208 6 0 "[ . 1 . 2 . 3 . ]" 1
489 1 63 LYS H 1 65 GLN H 2.000 . 4.000 3.942 3.769 4.074 0.074 25 0 "[ . 1 . 2 . 3 . ]" 1
490 1 66 ALA H 1 66 ALA MB 2.000 . 3.300 2.355 2.306 2.420 . 0 0 "[ . 1 . 2 . 3 . ]" 1
491 1 65 GLN H 1 66 ALA H 2.000 . 2.700 2.045 1.589 2.604 . 0 0 "[ . 1 . 2 . 3 . ]" 1
492 1 65 GLN HA 1 66 ALA H 2.000 . 3.300 3.301 3.243 3.350 0.050 15 0 "[ . 1 . 2 . 3 . ]" 1
493 1 65 GLN HB3 1 66 ALA H 2.000 . 3.300 3.103 2.988 3.596 0.296 3 0 "[ . 1 . 2 . 3 . ]" 1
494 1 65 GLN HB2 1 66 ALA H 2.000 . 4.000 4.052 2.517 4.196 0.196 29 0 "[ . 1 . 2 . 3 . ]" 1
495 1 65 GLN HG3 1 66 ALA H 2.000 . 4.000 3.903 2.581 4.175 0.175 3 0 "[ . 1 . 2 . 3 . ]" 1
496 1 65 GLN HG2 1 66 ALA H 2.000 . 4.000 4.053 3.966 4.197 0.197 17 0 "[ . 1 . 2 . 3 . ]" 1
497 1 64 LEU H 1 66 ALA H 2.000 . 4.000 3.260 3.102 3.666 . 0 0 "[ . 1 . 2 . 3 . ]" 1
498 1 64 LEU HA 1 66 ALA H 2.000 . 3.500 3.660 3.561 3.769 0.269 3 0 "[ . 1 . 2 . 3 . ]" 1
499 1 66 ALA HA 1 69 LYS HB3 2.000 . 3.300 3.112 2.803 3.348 0.048 20 0 "[ . 1 . 2 . 3 . ]" 1
500 1 66 ALA HA 1 69 LYS HB2 2.000 . 3.300 2.114 1.758 2.687 . 0 0 "[ . 1 . 2 . 3 . ]" 1
501 1 67 LEU H 1 67 LEU HB3 2.000 . 3.300 2.281 2.131 2.496 . 0 0 "[ . 1 . 2 . 3 . ]" 1
502 1 67 LEU H 1 67 LEU HB2 2.000 . 3.300 3.118 2.637 3.527 0.227 20 0 "[ . 1 . 2 . 3 . ]" 1
503 1 67 LEU H 1 67 LEU MD1 2.000 . 4.000 4.071 3.085 4.232 0.232 1 0 "[ . 1 . 2 . 3 . ]" 1
504 1 67 LEU H 1 67 LEU MD2 2.000 . 4.000 3.836 3.323 4.153 0.153 15 0 "[ . 1 . 2 . 3 . ]" 1
505 1 66 ALA H 1 67 LEU H 2.000 . 2.700 1.933 1.825 2.105 . 0 0 "[ . 1 . 2 . 3 . ]" 1
506 1 66 ALA HA 1 67 LEU H 2.000 . 3.300 3.391 3.321 3.489 0.189 1 0 "[ . 1 . 2 . 3 . ]" 1
507 1 66 ALA MB 1 67 LEU H 2.000 . 3.300 2.871 2.697 2.984 . 0 0 "[ . 1 . 2 . 3 . ]" 1
508 1 67 LEU HA 1 70 LYS HB3 2.000 . 3.300 2.868 2.623 3.086 . 0 0 "[ . 1 . 2 . 3 . ]" 1
509 1 67 LEU HA 1 70 LYS HB2 2.000 . 3.300 1.843 1.604 2.070 . 0 0 "[ . 1 . 2 . 3 . ]" 1
510 1 64 LEU H 1 67 LEU H 2.000 . 3.500 3.952 3.888 4.074 0.574 20 3 "[ . 1 .- + . *3 . ]" 1
511 1 64 LEU HA 1 67 LEU H 2.000 . 3.500 2.882 2.444 3.107 . 0 0 "[ . 1 . 2 . 3 . ]" 1
512 1 68 LYS H 1 68 LYS HB3 2.000 . 4.000 3.509 3.205 3.658 . 0 0 "[ . 1 . 2 . 3 . ]" 1
513 1 68 LYS H 1 68 LYS HB2 2.000 . 3.300 2.251 2.080 2.427 . 0 0 "[ . 1 . 2 . 3 . ]" 1
514 1 68 LYS H 1 68 LYS HG3 2.000 . 4.000 3.362 2.914 4.078 0.078 18 0 "[ . 1 . 2 . 3 . ]" 1
515 1 68 LYS H 1 68 LYS HG2 2.000 . 4.000 3.799 2.855 4.119 0.119 15 0 "[ . 1 . 2 . 3 . ]" 1
516 1 67 LEU H 1 68 LYS H 2.000 . 2.700 2.081 1.918 2.279 . 0 0 "[ . 1 . 2 . 3 . ]" 1
517 1 67 LEU HA 1 68 LYS H 2.000 . 3.300 3.438 3.369 3.469 0.169 5 0 "[ . 1 . 2 . 3 . ]" 1
518 1 67 LEU HB3 1 68 LYS H 2.000 . 3.300 2.851 2.374 3.352 0.052 10 0 "[ . 1 . 2 . 3 . ]" 1
519 1 67 LEU HB2 1 68 LYS H 2.000 . 4.000 3.870 3.654 4.111 0.111 16 0 "[ . 1 . 2 . 3 . ]" 1
520 1 67 LEU MD1 1 68 LYS H 2.000 . 3.300 3.340 2.260 3.471 0.171 18 0 "[ . 1 . 2 . 3 . ]" 1
521 1 67 LEU MD2 1 68 LYS H 2.000 . 3.300 3.592 3.478 3.870 0.570 17 1 "[ . 1 . + 2 . 3 . ]" 1
522 1 65 GLN H 1 68 LYS H 2.000 . 3.300 3.930 3.734 4.224 0.924 6 29 "[****.+** ** ***- * * ************ **]" 1
523 1 69 LYS H 1 69 LYS HB3 2.000 . 3.300 3.353 3.258 3.400 0.100 22 0 "[ . 1 . 2 . 3 . ]" 1
524 1 69 LYS H 1 69 LYS HB2 2.000 . 3.300 2.142 2.050 2.161 . 0 0 "[ . 1 . 2 . 3 . ]" 1
525 1 69 LYS H 1 69 LYS HG3 2.000 . 4.000 3.850 3.383 4.151 0.151 1 0 "[ . 1 . 2 . 3 . ]" 1
526 1 69 LYS H 1 69 LYS HG2 2.000 . 4.000 3.876 3.653 4.211 0.211 1 0 "[ . 1 . 2 . 3 . ]" 1
527 1 68 LYS H 1 69 LYS H 2.000 . 2.700 2.378 2.266 2.505 . 0 0 "[ . 1 . 2 . 3 . ]" 1
528 1 68 LYS HA 1 69 LYS H 2.000 . 3.300 3.463 3.437 3.514 0.214 1 0 "[ . 1 . 2 . 3 . ]" 1
529 1 68 LYS HB3 1 69 LYS H 2.000 . 4.000 3.532 3.155 3.868 . 0 0 "[ . 1 . 2 . 3 . ]" 1
530 1 68 LYS HB2 1 69 LYS H 2.000 . 3.300 3.073 2.909 3.347 0.047 15 0 "[ . 1 . 2 . 3 . ]" 1
531 1 69 LYS HA 1 72 ALA MB 2.000 . 3.300 2.058 1.977 2.230 . 0 0 "[ . 1 . 2 . 3 . ]" 1
532 1 66 ALA H 1 69 LYS H 2.000 . 3.500 3.754 3.723 3.808 0.308 1 0 "[ . 1 . 2 . 3 . ]" 1
533 1 66 ALA HA 1 69 LYS H 2.000 . 3.500 3.176 2.936 3.693 0.193 15 0 "[ . 1 . 2 . 3 . ]" 1
534 1 70 LYS H 1 70 LYS HB3 2.000 . 3.300 3.278 3.185 3.328 0.028 14 0 "[ . 1 . 2 . 3 . ]" 1
535 1 70 LYS H 1 70 LYS HB2 2.000 . 3.300 2.152 2.117 2.190 . 0 0 "[ . 1 . 2 . 3 . ]" 1
536 1 70 LYS H 1 70 LYS HG3 2.000 . 4.000 4.040 3.557 4.103 0.103 1 0 "[ . 1 . 2 . 3 . ]" 1
537 1 70 LYS H 1 70 LYS HG2 2.000 . 4.000 3.865 3.702 4.134 0.134 35 0 "[ . 1 . 2 . 3 . ]" 1
538 1 69 LYS H 1 70 LYS H 2.000 . 2.700 2.191 2.131 2.288 . 0 0 "[ . 1 . 2 . 3 . ]" 1
539 1 69 LYS HA 1 70 LYS H 2.000 . 3.300 3.363 3.337 3.407 0.107 5 0 "[ . 1 . 2 . 3 . ]" 1
540 1 69 LYS HB3 1 70 LYS H 2.000 . 4.000 3.475 3.224 3.626 . 0 0 "[ . 1 . 2 . 3 . ]" 1
541 1 69 LYS HB2 1 70 LYS H 2.000 . 3.300 3.269 3.124 3.334 0.034 20 0 "[ . 1 . 2 . 3 . ]" 1
542 1 68 LYS H 1 70 LYS H 2.000 . 4.000 3.415 3.288 3.570 . 0 0 "[ . 1 . 2 . 3 . ]" 1
543 1 67 LEU H 1 70 LYS H 2.000 . 3.500 3.902 3.854 3.953 0.453 29 0 "[ . 1 . 2 . 3 . ]" 1
544 1 67 LEU HA 1 70 LYS H 2.000 . 3.500 3.084 2.879 3.316 . 0 0 "[ . 1 . 2 . 3 . ]" 1
545 1 70 LYS HA 1 73 GLN HB3 2.000 . 3.300 2.401 1.890 3.374 0.074 7 0 "[ . 1 . 2 . 3 . ]" 1
546 1 70 LYS HA 1 73 GLN HB2 2.000 . 3.300 2.140 1.865 2.330 . 0 0 "[ . 1 . 2 . 3 . ]" 1
547 1 71 ASN H 1 71 ASN HB3 2.000 . 3.300 2.861 2.788 2.940 . 0 0 "[ . 1 . 2 . 3 . ]" 1
548 1 71 ASN H 1 71 ASN HB2 2.000 . 3.300 2.447 2.385 2.493 . 0 0 "[ . 1 . 2 . 3 . ]" 1
549 1 70 LYS H 1 71 ASN H 2.000 . 2.700 2.026 1.973 2.105 . 0 0 "[ . 1 . 2 . 3 . ]" 1
550 1 70 LYS HA 1 71 ASN H 2.000 . 3.300 3.384 3.361 3.408 0.108 4 0 "[ . 1 . 2 . 3 . ]" 1
551 1 70 LYS HB3 1 71 ASN H 2.000 . 3.300 3.345 3.317 3.378 0.078 26 0 "[ . 1 . 2 . 3 . ]" 1
552 1 70 LYS HB2 1 71 ASN H 2.000 . 4.000 3.207 3.099 3.374 . 0 0 "[ . 1 . 2 . 3 . ]" 1
553 1 69 LYS H 1 71 ASN H 2.000 . 4.000 3.419 3.377 3.531 . 0 0 "[ . 1 . 2 . 3 . ]" 1
554 1 68 LYS H 1 71 ASN H 2.000 . 3.500 3.978 3.928 4.041 0.541 1 8 "[+ * *1 - * ** * 3 . ]" 1
555 1 71 ASN HA 1 74 LEU HB3 2.000 . 3.300 1.976 1.892 2.109 . 0 0 "[ . 1 . 2 . 3 . ]" 1
556 1 71 ASN HA 1 74 LEU HB2 2.000 . 3.300 2.263 2.166 2.322 . 0 0 "[ . 1 . 2 . 3 . ]" 1
557 1 72 ALA H 1 72 ALA MB 2.000 . 3.300 2.340 2.330 2.362 . 0 0 "[ . 1 . 2 . 3 . ]" 1
558 1 71 ASN H 1 72 ALA H 2.000 . 2.700 2.079 2.038 2.137 . 0 0 "[ . 1 . 2 . 3 . ]" 1
559 1 71 ASN HA 1 72 ALA H 2.000 . 3.300 3.302 3.275 3.322 0.022 36 0 "[ . 1 . 2 . 3 . ]" 1
560 1 71 ASN HB3 1 72 ALA H 2.000 . 3.300 3.235 3.190 3.304 0.004 7 0 "[ . 1 . 2 . 3 . ]" 1
561 1 71 ASN HB2 1 72 ALA H 2.000 . 4.000 3.827 3.774 3.858 . 0 0 "[ . 1 . 2 . 3 . ]" 1
562 1 69 LYS HA 1 72 ALA H 2.000 . 3.300 3.115 3.020 3.299 . 0 0 "[ . 1 . 2 . 3 . ]" 1
563 1 72 ALA HA 1 75 LYS HB3 2.000 . 3.300 2.705 2.640 2.847 . 0 0 "[ . 1 . 2 . 3 . ]" 1
564 1 72 ALA HA 1 75 LYS HB2 2.000 . 3.300 1.844 1.755 1.927 . 0 0 "[ . 1 . 2 . 3 . ]" 1
565 1 73 GLN H 1 73 GLN HB3 2.000 . 3.300 2.717 2.280 3.578 0.278 28 0 "[ . 1 . 2 . 3 . ]" 1
566 1 73 GLN H 1 73 GLN HB2 2.000 . 3.300 2.427 2.403 2.465 . 0 0 "[ . 1 . 2 . 3 . ]" 1
567 1 73 GLN H 1 73 GLN HG3 2.000 . 4.000 3.807 2.934 4.222 0.222 36 0 "[ . 1 . 2 . 3 . ]" 1
568 1 73 GLN H 1 73 GLN HG2 2.000 . 4.000 3.775 2.696 4.310 0.310 36 0 "[ . 1 . 2 . 3 . ]" 1
569 1 72 ALA H 1 73 GLN H 2.000 . 2.700 1.872 1.840 1.916 . 0 0 "[ . 1 . 2 . 3 . ]" 1
570 1 72 ALA HA 1 73 GLN H 2.000 . 3.300 3.384 3.370 3.411 0.111 21 0 "[ . 1 . 2 . 3 . ]" 1
571 1 72 ALA MB 1 73 GLN H 2.000 . 3.300 2.837 2.786 2.876 . 0 0 "[ . 1 . 2 . 3 . ]" 1
572 1 70 LYS H 1 73 GLN H 2.000 . 3.500 3.977 3.954 4.009 0.509 4 2 "[ +. - 1 . 2 . 3 . ]" 1
573 1 74 LEU H 1 74 LEU HB3 2.000 . 3.300 2.718 2.625 2.793 . 0 0 "[ . 1 . 2 . 3 . ]" 1
574 1 74 LEU H 1 74 LEU HB2 2.000 . 3.300 2.343 2.262 2.412 . 0 0 "[ . 1 . 2 . 3 . ]" 1
575 1 74 LEU H 1 74 LEU MD1 2.000 . 4.000 3.955 3.846 4.034 0.034 12 0 "[ . 1 . 2 . 3 . ]" 1
576 1 74 LEU H 1 74 LEU MD2 2.000 . 4.000 4.188 4.170 4.210 0.210 15 0 "[ . 1 . 2 . 3 . ]" 1
577 1 73 GLN H 1 74 LEU H 2.000 . 2.700 1.985 1.935 2.023 . 0 0 "[ . 1 . 2 . 3 . ]" 1
578 1 73 GLN HA 1 74 LEU H 2.000 . 3.300 3.391 3.359 3.410 0.110 8 0 "[ . 1 . 2 . 3 . ]" 1
579 1 73 GLN HB3 1 74 LEU H 2.000 . 4.000 2.776 2.297 3.724 . 0 0 "[ . 1 . 2 . 3 . ]" 1
580 1 73 GLN HB2 1 74 LEU H 2.000 . 3.300 3.212 2.557 3.539 0.239 23 0 "[ . 1 . 2 . 3 . ]" 1
581 1 73 GLN HG3 1 74 LEU H 2.000 . 4.000 4.123 4.058 4.250 0.250 3 0 "[ . 1 . 2 . 3 . ]" 1
582 1 73 GLN HG2 1 74 LEU H 2.000 . 4.000 4.102 4.044 4.229 0.229 7 0 "[ . 1 . 2 . 3 . ]" 1
583 1 72 ALA H 1 74 LEU H 2.000 . 4.000 3.101 3.023 3.169 . 0 0 "[ . 1 . 2 . 3 . ]" 1
584 1 71 ASN H 1 74 LEU H 2.000 . 3.500 3.913 3.897 3.926 0.426 29 0 "[ . 1 . 2 . 3 . ]" 1
585 1 71 ASN HA 1 74 LEU H 2.000 . 3.500 2.863 2.807 2.945 . 0 0 "[ . 1 . 2 . 3 . ]" 1
586 1 74 LEU HA 1 77 LYS HB3 2.000 . 3.300 3.222 3.041 3.324 0.024 28 0 "[ . 1 . 2 . 3 . ]" 1
587 1 74 LEU HA 1 77 LYS HB2 2.000 . 3.300 1.979 1.857 2.063 . 0 0 "[ . 1 . 2 . 3 . ]" 1
588 1 75 LYS H 1 75 LYS HB3 2.000 . 3.300 3.206 3.176 3.290 . 0 0 "[ . 1 . 2 . 3 . ]" 1
589 1 75 LYS H 1 75 LYS HB2 2.000 . 3.300 2.151 2.122 2.175 . 0 0 "[ . 1 . 2 . 3 . ]" 1
590 1 75 LYS H 1 75 LYS HG3 2.000 . 4.000 4.093 4.061 4.131 0.131 17 0 "[ . 1 . 2 . 3 . ]" 1
591 1 75 LYS H 1 75 LYS HG2 2.000 . 4.000 3.986 3.752 4.025 0.025 29 0 "[ . 1 . 2 . 3 . ]" 1
592 1 74 LEU H 1 75 LYS H 2.000 . 2.700 2.283 2.245 2.321 . 0 0 "[ . 1 . 2 . 3 . ]" 1
593 1 74 LEU HA 1 75 LYS H 2.000 . 3.300 3.415 3.407 3.425 0.125 21 0 "[ . 1 . 2 . 3 . ]" 1
594 1 74 LEU HB3 1 75 LYS H 2.000 . 3.300 2.813 2.732 2.895 . 0 0 "[ . 1 . 2 . 3 . ]" 1
595 1 74 LEU HB2 1 75 LYS H 2.000 . 4.000 3.690 3.608 3.750 . 0 0 "[ . 1 . 2 . 3 . ]" 1
596 1 72 ALA H 1 75 LYS H 2.000 . 3.500 3.754 3.719 3.781 0.281 20 0 "[ . 1 . 2 . 3 . ]" 1
597 1 72 ALA HA 1 75 LYS H 2.000 . 3.500 2.900 2.856 2.943 . 0 0 "[ . 1 . 2 . 3 . ]" 1
598 1 73 GLN H 1 75 LYS H 2.000 . 4.000 3.206 3.170 3.264 . 0 0 "[ . 1 . 2 . 3 . ]" 1
599 1 73 GLN HA 1 75 LYS H 2.000 . 4.000 4.039 4.019 4.062 0.062 4 0 "[ . 1 . 2 . 3 . ]" 1
600 1 75 LYS HA 1 78 LEU HB3 2.000 . 3.300 2.949 2.157 3.361 0.061 22 0 "[ . 1 . 2 . 3 . ]" 1
601 1 75 LYS HA 1 78 LEU HB2 2.000 . 3.300 2.006 1.890 2.248 . 0 0 "[ . 1 . 2 . 3 . ]" 1
602 1 76 LYS H 1 76 LYS HB3 2.000 . 3.300 3.358 3.310 3.406 0.106 29 0 "[ . 1 . 2 . 3 . ]" 1
603 1 76 LYS H 1 76 LYS HB2 2.000 . 3.300 2.171 2.149 2.203 . 0 0 "[ . 1 . 2 . 3 . ]" 1
604 1 76 LYS H 1 76 LYS HG3 2.000 . 4.000 4.059 3.537 4.101 0.101 28 0 "[ . 1 . 2 . 3 . ]" 1
605 1 76 LYS H 1 76 LYS HG2 2.000 . 4.000 3.736 3.664 4.119 0.119 29 0 "[ . 1 . 2 . 3 . ]" 1
606 1 75 LYS H 1 76 LYS H 2.000 . 2.700 2.002 1.980 2.049 . 0 0 "[ . 1 . 2 . 3 . ]" 1
607 1 75 LYS HA 1 76 LYS H 2.000 . 3.300 3.353 3.343 3.364 0.064 29 0 "[ . 1 . 2 . 3 . ]" 1
608 1 75 LYS HB3 1 76 LYS H 2.000 . 3.300 3.331 3.307 3.383 0.083 4 0 "[ . 1 . 2 . 3 . ]" 1
609 1 75 LYS HB2 1 76 LYS H 2.000 . 3.300 3.305 3.194 3.318 0.018 13 0 "[ . 1 . 2 . 3 . ]" 1
610 1 73 GLN H 1 76 LYS H 2.000 . 3.500 3.867 3.834 3.894 0.394 33 0 "[ . 1 . 2 . 3 . ]" 1
611 1 74 LEU HA 1 76 LYS H 2.000 . 4.000 3.754 3.708 3.789 . 0 0 "[ . 1 . 2 . 3 . ]" 1
612 1 77 LYS H 1 77 LYS HB3 2.000 . 3.300 3.418 3.355 3.454 0.154 13 0 "[ . 1 . 2 . 3 . ]" 1
613 1 77 LYS H 1 77 LYS HB2 2.000 . 3.300 2.158 2.134 2.176 . 0 0 "[ . 1 . 2 . 3 . ]" 1
614 1 77 LYS H 1 77 LYS HG3 2.000 . 4.000 3.531 3.151 4.051 0.051 35 0 "[ . 1 . 2 . 3 . ]" 1
615 1 77 LYS H 1 77 LYS HG2 2.000 . 4.000 3.900 3.586 4.082 0.082 29 0 "[ . 1 . 2 . 3 . ]" 1
616 1 76 LYS HA 1 77 LYS H 2.000 . 3.300 3.466 3.455 3.474 0.174 29 0 "[ . 1 . 2 . 3 . ]" 1
617 1 76 LYS HB3 1 77 LYS H 2.000 . 3.300 3.241 3.163 3.304 0.004 12 0 "[ . 1 . 2 . 3 . ]" 1
618 1 76 LYS HB2 1 77 LYS H 2.000 . 4.000 3.030 2.976 3.131 . 0 0 "[ . 1 . 2 . 3 . ]" 1
619 1 75 LYS H 1 77 LYS H 2.000 . 4.000 3.379 3.343 3.411 . 0 0 "[ . 1 . 2 . 3 . ]" 1
620 1 74 LEU H 1 77 LYS H 2.000 . 3.500 3.917 3.899 3.944 0.444 4 0 "[ . 1 . 2 . 3 . ]" 1
621 1 74 LEU HA 1 77 LYS H 2.000 . 3.500 2.816 2.764 2.856 . 0 0 "[ . 1 . 2 . 3 . ]" 1
622 1 78 LEU H 1 78 LEU HB3 2.000 . 3.300 2.997 2.321 3.342 0.042 14 0 "[ . 1 . 2 . 3 . ]" 1
623 1 78 LEU H 1 78 LEU HB2 2.000 . 3.300 2.182 2.011 2.549 . 0 0 "[ . 1 . 2 . 3 . ]" 1
624 1 78 LEU H 1 78 LEU MD1 2.000 . 4.000 3.893 2.800 4.145 0.145 6 0 "[ . 1 . 2 . 3 . ]" 1
625 1 78 LEU H 1 78 LEU MD2 2.000 . 4.000 4.149 4.081 4.203 0.203 24 0 "[ . 1 . 2 . 3 . ]" 1
626 1 77 LYS HA 1 78 LEU H 2.000 . 3.300 3.422 3.411 3.447 0.147 12 0 "[ . 1 . 2 . 3 . ]" 1
627 1 77 LYS HB3 1 78 LEU H 2.000 . 4.000 3.666 3.515 3.754 . 0 0 "[ . 1 . 2 . 3 . ]" 1
628 1 77 LYS HB2 1 78 LEU H 2.000 . 3.300 3.310 3.243 3.343 0.043 18 0 "[ . 1 . 2 . 3 . ]" 1
629 1 75 LYS H 1 78 LEU H 2.000 . 3.500 3.974 3.954 4.040 0.540 12 1 "[ . 1 + . 2 . 3 . ]" 1
630 1 75 LYS HA 1 78 LEU H 2.000 . 3.500 3.026 2.869 3.098 . 0 0 "[ . 1 . 2 . 3 . ]" 1
631 1 79 GLN H 1 79 GLN HB3 2.000 . 3.300 3.086 2.978 3.547 0.247 21 0 "[ . 1 . 2 . 3 . ]" 1
632 1 79 GLN H 1 79 GLN HB2 2.000 . 3.300 3.432 2.600 3.524 0.224 12 0 "[ . 1 . 2 . 3 . ]" 1
633 1 79 GLN H 1 79 GLN HG3 2.000 . 4.000 2.570 1.643 3.047 . 0 0 "[ . 1 . 2 . 3 . ]" 1
634 1 79 GLN H 1 79 GLN HG2 2.000 . 4.000 1.880 1.802 2.956 . 0 0 "[ . 1 . 2 . 3 . ]" 1
635 1 78 LEU HA 1 79 GLN H 2.000 . 3.300 3.497 3.463 3.506 0.206 25 0 "[ . 1 . 2 . 3 . ]" 1
636 1 78 LEU HB3 1 79 GLN H 2.000 . 3.300 2.269 2.006 2.370 . 0 0 "[ . 1 . 2 . 3 . ]" 1
637 1 78 LEU HB2 1 79 GLN H 2.000 . 4.000 3.015 2.638 3.701 . 0 0 "[ . 1 . 2 . 3 . ]" 1
638 1 78 LEU MD1 1 79 GLN H 2.000 . 4.000 4.119 4.087 4.311 0.311 12 0 "[ . 1 . 2 . 3 . ]" 1
639 1 78 LEU MD2 1 79 GLN H 2.000 . 4.000 3.718 2.483 4.086 0.086 14 0 "[ . 1 . 2 . 3 . ]" 1
640 1 80 ALA H 1 80 ALA MB 2.000 . 3.300 2.670 2.333 2.903 . 0 0 "[ . 1 . 2 . 3 . ]" 1
641 1 79 GLN H 1 80 ALA H 2.000 . 2.700 2.374 2.271 2.610 . 0 0 "[ . 1 . 2 . 3 . ]" 1
642 1 79 GLN HA 1 80 ALA H 2.000 . 3.300 3.476 3.470 3.494 0.194 13 0 "[ . 1 . 2 . 3 . ]" 1
643 1 79 GLN HB3 1 80 ALA H 2.000 . 4.000 3.988 3.412 4.038 0.038 3 0 "[ . 1 . 2 . 3 . ]" 1
644 1 79 GLN HB2 1 80 ALA H 2.000 . 3.300 3.235 2.132 3.335 0.035 23 0 "[ . 1 . 2 . 3 . ]" 1
645 1 79 GLN HG3 1 80 ALA H 2.000 . 4.000 2.320 2.108 4.088 0.088 13 0 "[ . 1 . 2 . 3 . ]" 1
646 1 79 GLN HG2 1 80 ALA H 2.000 . 4.000 3.209 3.075 4.030 0.030 14 0 "[ . 1 . 2 . 3 . ]" 1
647 1 78 LEU H 1 80 ALA H 2.000 . 4.000 3.999 3.895 4.028 0.028 31 0 "[ . 1 . 2 . 3 . ]" 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 46
_Distance_constraint_stats_list.Viol_count 241
_Distance_constraint_stats_list.Viol_total 471.654
_Distance_constraint_stats_list.Viol_max 0.277
_Distance_constraint_stats_list.Viol_rms 0.0268
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0079
_Distance_constraint_stats_list.Viol_average_violations_only 0.0544
_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 2 GLN 2.736 0.143 34 0 "[ . 1 . 2 . 3 . ]"
1 4 LEU 0.082 0.040 34 0 "[ . 1 . 2 . 3 . ]"
1 6 LYS 2.739 0.143 34 0 "[ . 1 . 2 . 3 . ]"
1 8 LEU 0.584 0.084 30 0 "[ . 1 . 2 . 3 . ]"
1 10 GLN 1.452 0.139 16 0 "[ . 1 . 2 . 3 . ]"
1 12 GLU 1.856 0.104 28 0 "[ . 1 . 2 . 3 . ]"
1 14 GLU 1.602 0.139 16 0 "[ . 1 . 2 . 3 . ]"
1 16 GLN 2.292 0.104 28 0 "[ . 1 . 2 . 3 . ]"
1 18 LEU 0.963 0.132 12 0 "[ . 1 . 2 . 3 . ]"
1 20 LYS 1.196 0.081 5 0 "[ . 1 . 2 . 3 . ]"
1 22 LEU 0.810 0.132 12 0 "[ . 1 . 2 . 3 . ]"
1 24 GLN 1.547 0.260 12 0 "[ . 1 . 2 . 3 . ]"
1 26 GLU 0.671 0.134 34 0 "[ . 1 . 2 . 3 . ]"
1 28 GLU 1.289 0.260 12 0 "[ . 1 . 2 . 3 . ]"
1 30 GLN 0.671 0.134 34 0 "[ . 1 . 2 . 3 . ]"
1 54 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 56 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 58 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 60 LEU 0.318 0.069 34 0 "[ . 1 . 2 . 3 . ]"
1 62 TRP 0.023 0.012 29 0 "[ . 1 . 2 . 3 . ]"
1 64 LEU 2.829 0.277 15 0 "[ . 1 . 2 . 3 . ]"
1 66 ALA 0.023 0.012 29 0 "[ . 1 . 2 . 3 . ]"
1 68 LYS 2.511 0.277 15 0 "[ . 1 . 2 . 3 . ]"
1 70 LYS 0.005 0.005 26 0 "[ . 1 . 2 . 3 . ]"
1 72 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 74 LEU 0.005 0.005 26 0 "[ . 1 . 2 . 3 . ]"
1 76 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 GLN O 1 6 LYS H 2.100 . 3.100 2.977 2.233 3.243 0.143 34 0 "[ . 1 . 2 . 3 . ]" 2
2 1 2 GLN O 1 6 LYS N 3.000 2.500 4.000 3.551 2.783 3.833 . 0 0 "[ . 1 . 2 . 3 . ]" 2
3 1 4 LEU O 1 8 LEU H 2.100 . 3.100 2.031 1.625 2.538 . 0 0 "[ . 1 . 2 . 3 . ]" 2
4 1 4 LEU O 1 8 LEU N 3.000 2.500 4.000 2.644 2.460 3.045 0.040 34 0 "[ . 1 . 2 . 3 . ]" 2
5 1 6 LYS O 1 10 GLN H 2.100 . 3.100 2.258 1.953 2.359 . 0 0 "[ . 1 . 2 . 3 . ]" 2
6 1 6 LYS O 1 10 GLN N 3.000 2.500 4.000 2.709 2.497 2.773 0.003 20 0 "[ . 1 . 2 . 3 . ]" 2
7 1 8 LEU O 1 12 GLU H 2.100 . 3.100 2.112 1.919 2.332 . 0 0 "[ . 1 . 2 . 3 . ]" 2
8 1 8 LEU O 1 12 GLU N 3.000 2.500 4.000 2.565 2.416 2.756 0.084 30 0 "[ . 1 . 2 . 3 . ]" 2
9 1 10 GLN O 1 14 GLU H 2.100 . 3.100 1.993 1.808 2.256 . 0 0 "[ . 1 . 2 . 3 . ]" 2
10 1 10 GLN O 1 14 GLU N 3.000 2.500 4.000 2.472 2.361 2.662 0.139 16 0 "[ . 1 . 2 . 3 . ]" 2
11 1 12 GLU O 1 16 GLN H 2.100 . 3.100 1.936 1.647 2.304 . 0 0 "[ . 1 . 2 . 3 . ]" 2
12 1 12 GLU O 1 16 GLN N 3.000 2.500 4.000 2.497 2.396 2.727 0.104 28 0 "[ . 1 . 2 . 3 . ]" 2
13 1 14 GLU O 1 18 LEU H 2.100 . 3.100 2.237 1.987 2.350 . 0 0 "[ . 1 . 2 . 3 . ]" 2
14 1 14 GLU O 1 18 LEU N 3.000 2.500 4.000 2.578 2.421 2.666 0.079 5 0 "[ . 1 . 2 . 3 . ]" 2
15 1 16 GLN O 1 20 LYS H 2.100 . 3.100 1.794 1.625 1.979 . 0 0 "[ . 1 . 2 . 3 . ]" 2
16 1 16 GLN O 1 20 LYS N 3.000 2.500 4.000 2.480 2.419 2.581 0.081 5 0 "[ . 1 . 2 . 3 . ]" 2
17 1 18 LEU O 1 22 LEU H 2.100 . 3.100 1.883 1.607 2.074 . 0 0 "[ . 1 . 2 . 3 . ]" 2
18 1 18 LEU O 1 22 LEU N 3.000 2.500 4.000 2.565 2.368 2.739 0.132 12 0 "[ . 1 . 2 . 3 . ]" 2
19 1 20 LYS O 1 24 GLN H 2.100 . 3.100 2.596 2.297 3.160 0.060 5 0 "[ . 1 . 2 . 3 . ]" 2
20 1 20 LYS O 1 24 GLN N 3.000 2.500 4.000 2.975 2.690 3.770 . 0 0 "[ . 1 . 2 . 3 . ]" 2
21 1 22 LEU O 1 26 GLU H 2.100 . 3.100 2.423 1.811 3.027 . 0 0 "[ . 1 . 2 . 3 . ]" 2
22 1 22 LEU O 1 26 GLU N 3.000 2.500 4.000 3.281 2.757 3.763 . 0 0 "[ . 1 . 2 . 3 . ]" 2
23 1 24 GLN O 1 28 GLU H 2.100 . 3.100 1.953 1.478 2.525 0.022 12 0 "[ . 1 . 2 . 3 . ]" 2
24 1 24 GLN O 1 28 GLU N 3.000 2.500 4.000 2.589 2.240 3.086 0.260 12 0 "[ . 1 . 2 . 3 . ]" 2
25 1 26 GLU O 1 30 GLN H 2.100 . 3.100 1.752 1.514 2.031 . 0 0 "[ . 1 . 2 . 3 . ]" 2
26 1 26 GLU O 1 30 GLN N 3.000 2.500 4.000 2.506 2.366 2.661 0.134 34 0 "[ . 1 . 2 . 3 . ]" 2
27 1 54 LYS O 1 58 ALA H 2.100 . 3.100 2.227 2.041 2.385 . 0 0 "[ . 1 . 2 . 3 . ]" 2
28 1 54 LYS O 1 58 ALA N 3.000 2.500 4.000 2.994 2.829 3.163 . 0 0 "[ . 1 . 2 . 3 . ]" 2
29 1 56 LYS O 1 60 LEU H 2.100 . 3.100 2.627 2.554 2.691 . 0 0 "[ . 1 . 2 . 3 . ]" 2
30 1 56 LYS O 1 60 LEU N 3.000 2.500 4.000 3.136 3.063 3.208 . 0 0 "[ . 1 . 2 . 3 . ]" 2
31 1 58 ALA O 1 62 TRP H 2.100 . 3.100 2.576 2.452 2.739 . 0 0 "[ . 1 . 2 . 3 . ]" 2
32 1 58 ALA O 1 62 TRP N 3.000 2.500 4.000 3.223 3.102 3.389 . 0 0 "[ . 1 . 2 . 3 . ]" 2
33 1 60 LEU O 1 64 LEU H 2.100 . 3.100 2.398 1.811 2.734 . 0 0 "[ . 1 . 2 . 3 . ]" 2
34 1 60 LEU O 1 64 LEU N 3.000 2.500 4.000 2.812 2.431 3.141 0.069 34 0 "[ . 1 . 2 . 3 . ]" 2
35 1 62 TRP O 1 66 ALA H 2.100 . 3.100 2.755 2.474 3.112 0.012 29 0 "[ . 1 . 2 . 3 . ]" 2
36 1 62 TRP O 1 66 ALA N 3.000 2.500 4.000 3.211 2.904 3.707 . 0 0 "[ . 1 . 2 . 3 . ]" 2
37 1 64 LEU O 1 68 LYS H 2.100 . 3.100 1.737 1.482 2.192 0.018 1 0 "[ . 1 . 2 . 3 . ]" 2
38 1 64 LEU O 1 68 LYS N 3.000 2.500 4.000 2.506 2.223 2.850 0.277 15 0 "[ . 1 . 2 . 3 . ]" 2
39 1 66 ALA O 1 70 LYS H 2.100 . 3.100 2.525 2.256 2.900 . 0 0 "[ . 1 . 2 . 3 . ]" 2
40 1 66 ALA O 1 70 LYS N 3.000 2.500 4.000 2.964 2.759 3.334 . 0 0 "[ . 1 . 2 . 3 . ]" 2
41 1 68 LYS O 1 72 ALA H 2.100 . 3.100 2.275 2.147 2.412 . 0 0 "[ . 1 . 2 . 3 . ]" 2
42 1 68 LYS O 1 72 ALA N 3.000 2.500 4.000 2.673 2.619 2.767 . 0 0 "[ . 1 . 2 . 3 . ]" 2
43 1 70 LYS O 1 74 LEU H 2.100 . 3.100 1.940 1.839 1.994 . 0 0 "[ . 1 . 2 . 3 . ]" 2
44 1 70 LYS O 1 74 LEU N 3.000 2.500 4.000 2.618 2.495 2.676 0.005 26 0 "[ . 1 . 2 . 3 . ]" 2
45 1 72 ALA O 1 76 LYS H 2.100 . 3.100 2.310 2.257 2.349 . 0 0 "[ . 1 . 2 . 3 . ]" 2
46 1 72 ALA O 1 76 LYS N 3.000 2.500 4.000 2.750 2.715 2.789 . 0 0 "[ . 1 . 2 . 3 . ]" 2
stop_
save_
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