Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
424178 | 2fq0 RC | 6516 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2fq0
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 933
_Distance_constraint_stats_list.Viol_count 2035
_Distance_constraint_stats_list.Viol_total 2223.301
_Distance_constraint_stats_list.Viol_max 0.466
_Distance_constraint_stats_list.Viol_rms 0.0226
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0060
_Distance_constraint_stats_list.Viol_average_violations_only 0.0546
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 LYS 0.012 0.006 6 0 "[ . 1 . 2]"
1 3 SER 0.275 0.085 16 0 "[ . 1 . 2]"
1 4 THR 2.592 0.202 11 0 "[ . 1 . 2]"
1 5 PHE 4.222 0.222 9 0 "[ . 1 . 2]"
1 6 ASP 1.919 0.145 14 0 "[ . 1 . 2]"
1 7 ASP 2.279 0.119 5 0 "[ . 1 . 2]"
1 8 ILE 7.064 0.172 15 0 "[ . 1 . 2]"
1 9 LYS 3.696 0.198 15 0 "[ . 1 . 2]"
1 10 LYS 5.095 0.209 16 0 "[ . 1 . 2]"
1 11 ILE 5.467 0.198 15 0 "[ . 1 . 2]"
1 12 ILE 1.869 0.466 7 0 "[ . 1 . 2]"
1 13 SER 0.819 0.106 12 0 "[ . 1 . 2]"
1 14 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLN 4.365 0.183 9 0 "[ . 1 . 2]"
1 16 LEU 2.421 0.177 10 0 "[ . 1 . 2]"
1 17 SER 0.232 0.065 9 0 "[ . 1 . 2]"
1 18 VAL 2.493 0.177 10 0 "[ . 1 . 2]"
1 19 GLU 4.289 0.215 19 0 "[ . 1 . 2]"
1 20 GLU 6.357 0.215 19 0 "[ . 1 . 2]"
1 21 ASP 3.896 0.186 1 0 "[ . 1 . 2]"
1 22 LYS 5.517 0.196 20 0 "[ . 1 . 2]"
1 23 ILE 4.543 0.165 1 0 "[ . 1 . 2]"
1 24 GLN 2.714 0.196 20 0 "[ . 1 . 2]"
1 25 MET 0.942 0.076 19 0 "[ . 1 . 2]"
1 26 ASN 0.841 0.120 8 0 "[ . 1 . 2]"
1 27 SER 0.246 0.072 14 0 "[ . 1 . 2]"
1 28 ASN 3.442 0.130 16 0 "[ . 1 . 2]"
1 29 PHE 6.916 0.179 7 0 "[ . 1 . 2]"
1 30 THR 1.037 0.068 9 0 "[ . 1 . 2]"
1 31 LYS 4.804 0.134 12 0 "[ . 1 . 2]"
1 32 ASP 2.159 0.162 12 0 "[ . 1 . 2]"
1 33 LEU 2.725 0.232 12 0 "[ . 1 . 2]"
1 34 GLY 0.440 0.232 12 0 "[ . 1 . 2]"
1 35 ALA 1.000 0.159 12 0 "[ . 1 . 2]"
1 36 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 SER 0.017 0.017 7 0 "[ . 1 . 2]"
1 38 LEU 0.125 0.056 12 0 "[ . 1 . 2]"
1 39 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 LEU 1.311 0.102 10 0 "[ . 1 . 2]"
1 41 VAL 4.039 0.149 12 0 "[ . 1 . 2]"
1 42 GLU 0.297 0.102 10 0 "[ . 1 . 2]"
1 43 LEU 6.603 0.149 12 0 "[ . 1 . 2]"
1 44 ILE 5.236 0.209 16 0 "[ . 1 . 2]"
1 45 MET 3.536 0.147 1 0 "[ . 1 . 2]"
1 46 ALA 1.974 0.165 14 0 "[ . 1 . 2]"
1 47 LEU 1.921 0.137 5 0 "[ . 1 . 2]"
1 48 GLU 0.418 0.071 10 0 "[ . 1 . 2]"
1 49 GLU 1.055 0.082 17 0 "[ . 1 . 2]"
1 50 LYS 2.223 0.236 10 0 "[ . 1 . 2]"
1 51 PHE 3.033 0.166 16 0 "[ . 1 . 2]"
1 52 ASN 2.421 0.194 12 0 "[ . 1 . 2]"
1 53 VAL 6.196 0.194 12 0 "[ . 1 . 2]"
1 54 THR 2.274 0.228 16 0 "[ . 1 . 2]"
1 55 ILE 4.741 0.264 10 0 "[ . 1 . 2]"
1 56 SER 3.292 0.228 16 0 "[ . 1 . 2]"
1 57 ASP 0.654 0.105 16 0 "[ . 1 . 2]"
1 58 GLN 0.992 0.198 5 0 "[ . 1 . 2]"
1 59 ASP 0.644 0.117 15 0 "[ . 1 . 2]"
1 60 ALA 2.367 0.173 4 0 "[ . 1 . 2]"
1 61 LEU 1.555 0.264 10 0 "[ . 1 . 2]"
1 62 LYS 2.337 0.121 11 0 "[ . 1 . 2]"
1 63 ILE 9.071 0.209 6 0 "[ . 1 . 2]"
1 64 ASN 2.790 0.209 6 0 "[ . 1 . 2]"
1 65 THR 1.093 0.107 4 0 "[ . 1 . 2]"
1 66 VAL 3.591 0.176 17 0 "[ . 1 . 2]"
1 67 GLN 0.087 0.054 13 0 "[ . 1 . 2]"
1 68 ASP 3.884 0.150 4 0 "[ . 1 . 2]"
1 69 ALA 3.232 0.104 13 0 "[ . 1 . 2]"
1 70 ILE 8.066 0.266 4 0 "[ . 1 . 2]"
1 71 ASP 2.734 0.202 11 0 "[ . 1 . 2]"
1 72 TYR 8.488 0.266 4 0 "[ . 1 . 2]"
1 73 ILE 6.785 0.172 15 0 "[ . 1 . 2]"
1 74 GLU 2.287 0.214 11 0 "[ . 1 . 2]"
1 75 LYS 3.698 0.169 12 0 "[ . 1 . 2]"
1 76 ASN 2.079 0.123 11 0 "[ . 1 . 2]"
1 77 ASN 1.960 0.146 6 0 "[ . 1 . 2]"
1 78 LYS 0.557 0.140 4 0 "[ . 1 . 2]"
1 79 GLN 0.294 0.146 6 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 2 LYS H 1 2 LYS QB . . 3.500 2.693 2.284 3.301 . 0 0 "[ . 1 . 2]" 1
2 1 2 LYS HA 1 3 SER H . . 3.600 3.133 2.556 3.568 . 0 0 "[ . 1 . 2]" 1
3 1 2 LYS QG 1 3 SER H . . 5.000 4.155 3.596 4.715 . 0 0 "[ . 1 . 2]" 1
4 1 2 LYS HD3 1 5 PHE H . . 5.000 4.798 4.130 5.004 0.004 1 0 "[ . 1 . 2]" 1
5 1 2 LYS QG 1 5 PHE H . . 6.000 5.248 3.701 6.006 0.006 6 0 "[ . 1 . 2]" 1
6 1 3 SER QB 1 4 THR H . . 5.000 2.180 1.933 2.831 . 0 0 "[ . 1 . 2]" 1
7 1 3 SER H 1 4 THR H . . 5.000 3.516 2.219 4.613 . 0 0 "[ . 1 . 2]" 1
8 1 3 SER HA 1 4 THR H . . 3.600 3.241 2.601 3.569 . 0 0 "[ . 1 . 2]" 1
9 1 3 SER HA 1 5 PHE H . . 5.070 4.301 3.811 4.734 . 0 0 "[ . 1 . 2]" 1
10 1 3 SER HA 1 6 ASP H . . 5.000 4.335 3.659 4.982 . 0 0 "[ . 1 . 2]" 1
11 1 4 THR H 1 4 THR MG . . 4.000 2.215 1.961 2.443 . 0 0 "[ . 1 . 2]" 1
12 1 4 THR H 1 5 PHE H . . 3.500 2.709 2.437 2.799 . 0 0 "[ . 1 . 2]" 1
13 1 4 THR HB 1 5 PHE H . . 5.000 4.010 3.891 4.162 . 0 0 "[ . 1 . 2]" 1
14 1 4 THR MG 1 5 PHE H . . 5.000 2.095 1.920 2.425 . 0 0 "[ . 1 . 2]" 1
15 1 4 THR MG 1 6 ASP H . . 5.560 4.350 4.249 4.508 . 0 0 "[ . 1 . 2]" 1
16 1 4 THR H 1 70 ILE MG . . 5.000 2.518 1.912 4.594 . 0 0 "[ . 1 . 2]" 1
17 1 4 THR H 1 71 ASP H . . 6.190 6.236 6.013 6.392 0.202 11 0 "[ . 1 . 2]" 1
18 1 5 PHE H 1 5 PHE QB . . 3.500 2.171 2.072 2.259 . 0 0 "[ . 1 . 2]" 1
19 1 5 PHE H 1 5 PHE QD . . 5.000 4.071 3.967 4.169 . 0 0 "[ . 1 . 2]" 1
20 1 5 PHE HA 1 6 ASP H . . 3.530 3.509 3.495 3.537 0.007 6 0 "[ . 1 . 2]" 1
21 1 5 PHE QB 1 6 ASP H . . 4.500 2.723 2.569 2.806 . 0 0 "[ . 1 . 2]" 1
22 1 5 PHE QD 1 6 ASP H . . 5.000 4.317 4.055 4.414 . 0 0 "[ . 1 . 2]" 1
23 1 5 PHE HA 1 8 ILE H . . 5.000 3.595 3.442 3.710 . 0 0 "[ . 1 . 2]" 1
24 1 5 PHE HA 1 9 LYS H . . 5.000 3.929 3.694 4.080 . 0 0 "[ . 1 . 2]" 1
25 1 5 PHE QE 1 15 GLN H . . 10.930 10.882 10.665 11.043 0.113 18 0 "[ . 1 . 2]" 1
26 1 5 PHE H 1 63 ILE MG . . 6.420 6.449 6.190 6.523 0.103 4 0 "[ . 1 . 2]" 1
27 1 5 PHE H 1 70 ILE MG . . 5.290 3.735 3.177 5.512 0.222 9 0 "[ . 1 . 2]" 1
28 1 6 ASP H 1 6 ASP QB . . 3.500 2.137 2.044 2.393 . 0 0 "[ . 1 . 2]" 1
29 1 6 ASP QB 1 7 ASP H . . 5.000 2.085 1.936 2.260 . 0 0 "[ . 1 . 2]" 1
30 1 6 ASP H 1 8 ILE H . . 5.000 3.776 3.701 3.906 . 0 0 "[ . 1 . 2]" 1
31 1 7 ASP H 1 7 ASP QB . . 3.500 2.343 2.136 2.676 . 0 0 "[ . 1 . 2]" 1
32 1 7 ASP H 1 8 ILE H . . 3.500 2.713 2.580 2.819 . 0 0 "[ . 1 . 2]" 1
33 1 7 ASP HA 1 8 ILE H . . 3.500 3.474 3.450 3.516 0.016 15 0 "[ . 1 . 2]" 1
34 1 7 ASP QB 1 8 ILE H . . 5.000 2.877 2.725 2.991 . 0 0 "[ . 1 . 2]" 1
35 1 7 ASP HA 1 9 LYS H . . 5.000 4.258 4.080 4.426 . 0 0 "[ . 1 . 2]" 1
36 1 7 ASP HA 1 10 LYS H . . 5.000 3.386 3.287 3.468 . 0 0 "[ . 1 . 2]" 1
37 1 8 ILE H 1 8 ILE HB . . 3.500 2.278 2.182 2.332 . 0 0 "[ . 1 . 2]" 1
38 1 8 ILE H 1 8 ILE MD . . 5.000 3.624 3.159 3.838 . 0 0 "[ . 1 . 2]" 1
39 1 8 ILE H 1 9 LYS HA . . 5.220 5.178 5.119 5.262 0.042 15 0 "[ . 1 . 2]" 1
40 1 8 ILE H 1 9 LYS QB . . 5.000 4.421 4.330 4.512 . 0 0 "[ . 1 . 2]" 1
41 1 8 ILE MG 1 9 LYS H . . 5.000 3.109 2.929 3.307 . 0 0 "[ . 1 . 2]" 1
42 1 8 ILE MG 1 10 LYS H . . 5.000 4.579 4.455 4.738 . 0 0 "[ . 1 . 2]" 1
43 1 8 ILE HA 1 11 ILE H . . 3.500 3.515 3.466 3.564 0.064 2 0 "[ . 1 . 2]" 1
44 1 8 ILE H 1 73 ILE MG . . 5.370 5.440 5.228 5.542 0.172 15 0 "[ . 1 . 2]" 1
45 1 9 LYS H 1 9 LYS QB . . 3.500 2.222 2.146 2.280 . 0 0 "[ . 1 . 2]" 1
46 1 9 LYS H 1 9 LYS QG . . 5.000 2.822 2.744 2.947 . 0 0 "[ . 1 . 2]" 1
47 1 9 LYS H 1 10 LYS H . . 5.000 2.477 2.390 2.586 . 0 0 "[ . 1 . 2]" 1
48 1 9 LYS HA 1 10 LYS H . . 3.500 3.453 3.437 3.466 . 0 0 "[ . 1 . 2]" 1
49 1 9 LYS HA 1 12 ILE H . . 5.000 3.635 3.481 3.791 . 0 0 "[ . 1 . 2]" 1
50 1 9 LYS HA 1 13 SER H . . 6.000 3.919 3.781 4.115 . 0 0 "[ . 1 . 2]" 1
51 1 9 LYS QG 1 13 SER H . . 5.000 4.768 4.728 4.862 . 0 0 "[ . 1 . 2]" 1
52 1 9 LYS H 1 43 LEU MD1 . . 7.110 6.238 6.045 6.476 . 0 0 "[ . 1 . 2]" 1
53 1 9 LYS H 1 43 LEU MD2 . . 8.530 7.708 7.382 7.958 . 0 0 "[ . 1 . 2]" 1
54 1 10 LYS H 1 10 LYS QB . . 3.600 2.366 2.087 2.694 . 0 0 "[ . 1 . 2]" 1
55 1 10 LYS H 1 10 LYS QG . . 3.500 2.677 1.919 3.575 0.075 7 0 "[ . 1 . 2]" 1
56 1 10 LYS H 1 10 LYS QD . . 5.000 3.993 2.785 4.350 . 0 0 "[ . 1 . 2]" 1
57 1 10 LYS H 1 11 ILE MD . . 5.310 4.855 4.781 4.916 . 0 0 "[ . 1 . 2]" 1
58 1 10 LYS HA 1 11 ILE H . . 5.000 3.529 3.477 3.565 . 0 0 "[ . 1 . 2]" 1
59 1 10 LYS QB 1 11 ILE H . . 3.500 2.934 2.289 3.507 0.007 1 0 "[ . 1 . 2]" 1
60 1 10 LYS QG 1 11 ILE H . . 3.600 2.702 2.074 3.564 . 0 0 "[ . 1 . 2]" 1
61 1 10 LYS HA 1 12 ILE H . . 5.000 4.467 4.371 4.570 . 0 0 "[ . 1 . 2]" 1
62 1 10 LYS H 1 44 ILE QG . . 8.810 8.878 8.799 9.019 0.209 16 0 "[ . 1 . 2]" 1
63 1 10 LYS H 1 45 MET QG . . 10.850 10.943 10.899 10.997 0.147 1 0 "[ . 1 . 2]" 1
64 1 11 ILE H 1 11 ILE QG . . 3.600 1.874 1.825 1.916 . 0 0 "[ . 1 . 2]" 1
65 1 11 ILE H 1 11 ILE MD . . 5.000 3.522 3.472 3.580 . 0 0 "[ . 1 . 2]" 1
66 1 11 ILE H 1 12 ILE H . . 3.600 2.578 2.375 2.756 . 0 0 "[ . 1 . 2]" 1
67 1 11 ILE HB 1 12 ILE H . . 4.330 3.646 3.572 3.754 . 0 0 "[ . 1 . 2]" 1
68 1 11 ILE HA 1 14 LYS H . . 5.000 3.667 3.540 3.823 . 0 0 "[ . 1 . 2]" 1
69 1 11 ILE HA 1 15 GLN H . . 4.060 4.097 3.935 4.243 0.183 9 0 "[ . 1 . 2]" 1
70 1 12 ILE H 1 12 ILE HB . . 3.600 3.587 2.735 3.639 0.039 8 0 "[ . 1 . 2]" 1
71 1 12 ILE H 1 12 ILE QG . . 3.500 2.189 2.012 3.966 0.466 7 0 "[ . 1 . 2]" 1
72 1 12 ILE HA 1 13 SER H . . 5.000 3.493 3.459 3.510 . 0 0 "[ . 1 . 2]" 1
73 1 12 ILE HB 1 13 SER H . . 4.150 3.927 3.836 4.065 . 0 0 "[ . 1 . 2]" 1
74 1 12 ILE MD 1 13 SER H . . 5.000 3.620 2.715 4.989 . 0 0 "[ . 1 . 2]" 1
75 1 12 ILE HA 1 14 LYS H . . 5.000 4.213 3.831 4.504 . 0 0 "[ . 1 . 2]" 1
76 1 12 ILE MD 1 14 LYS H . . 6.220 5.522 4.578 6.207 . 0 0 "[ . 1 . 2]" 1
77 1 12 ILE HA 1 15 GLN H . . 5.000 3.259 3.043 3.555 . 0 0 "[ . 1 . 2]" 1
78 1 12 ILE MG 1 15 GLN H . . 5.860 4.996 4.777 5.192 . 0 0 "[ . 1 . 2]" 1
79 1 12 ILE HA 1 16 LEU H . . 3.600 3.116 2.207 3.569 . 0 0 "[ . 1 . 2]" 1
80 1 12 ILE MG 1 20 GLU H . . 6.200 5.805 4.061 6.302 0.102 14 0 "[ . 1 . 2]" 1
81 1 12 ILE H 1 43 LEU MD1 . . 5.000 3.838 3.653 4.047 . 0 0 "[ . 1 . 2]" 1
82 1 12 ILE H 1 43 LEU MD2 . . 5.000 4.431 4.186 4.733 . 0 0 "[ . 1 . 2]" 1
83 1 13 SER H 1 13 SER QB . . 3.600 2.290 2.157 2.587 . 0 0 "[ . 1 . 2]" 1
84 1 13 SER H 1 14 LYS H . . 3.600 2.529 2.342 2.717 . 0 0 "[ . 1 . 2]" 1
85 1 13 SER H 1 14 LYS QB . . 5.000 4.444 4.166 4.961 . 0 0 "[ . 1 . 2]" 1
86 1 13 SER QB 1 14 LYS H . . 3.500 2.940 2.592 3.492 . 0 0 "[ . 1 . 2]" 1
87 1 13 SER H 1 15 GLN H . . 3.730 3.766 3.705 3.836 0.106 12 0 "[ . 1 . 2]" 1
88 1 13 SER HA 1 15 GLN H . . 4.500 4.312 4.088 4.464 . 0 0 "[ . 1 . 2]" 1
89 1 13 SER HA 1 18 VAL H . . 5.000 3.967 3.166 4.860 . 0 0 "[ . 1 . 2]" 1
90 1 14 LYS H 1 14 LYS QG . . 5.000 3.611 1.988 4.134 . 0 0 "[ . 1 . 2]" 1
91 1 14 LYS H 1 14 LYS QB . . 3.600 2.377 2.251 2.722 . 0 0 "[ . 1 . 2]" 1
92 1 14 LYS H 1 14 LYS QD . . 5.000 4.050 3.235 4.313 . 0 0 "[ . 1 . 2]" 1
93 1 14 LYS H 1 15 GLN H . . 5.000 2.238 1.985 2.439 . 0 0 "[ . 1 . 2]" 1
94 1 14 LYS QG 1 15 GLN H . . 5.000 3.760 2.174 4.524 . 0 0 "[ . 1 . 2]" 1
95 1 14 LYS QB 1 15 GLN H . . 5.000 3.111 2.887 3.640 . 0 0 "[ . 1 . 2]" 1
96 1 15 GLN H 1 15 GLN QG . . 5.000 3.858 2.841 4.112 . 0 0 "[ . 1 . 2]" 1
97 1 15 GLN H 1 15 GLN QB . . 3.600 2.274 2.138 2.380 . 0 0 "[ . 1 . 2]" 1
98 1 15 GLN H 1 16 LEU H . . 5.000 2.603 2.095 2.888 . 0 0 "[ . 1 . 2]" 1
99 1 15 GLN H 1 16 LEU HA . . 5.400 5.094 4.823 5.279 . 0 0 "[ . 1 . 2]" 1
100 1 15 GLN H 1 17 SER H . . 5.000 4.363 3.208 5.033 0.033 1 0 "[ . 1 . 2]" 1
101 1 15 GLN H 1 43 LEU MD1 . . 6.100 6.152 6.101 6.222 0.122 16 0 "[ . 1 . 2]" 1
102 1 15 GLN H 1 43 LEU MD2 . . 5.930 5.145 4.882 5.411 . 0 0 "[ . 1 . 2]" 1
103 1 16 LEU H 1 16 LEU QB . . 3.600 2.676 2.200 3.323 . 0 0 "[ . 1 . 2]" 1
104 1 16 LEU H 1 17 SER H . . 3.500 2.658 2.118 3.540 0.040 1 0 "[ . 1 . 2]" 1
105 1 16 LEU H 1 17 SER HA . . 5.000 4.486 4.214 4.815 . 0 0 "[ . 1 . 2]" 1
106 1 16 LEU HA 1 17 SER H . . 5.000 3.310 2.240 3.568 . 0 0 "[ . 1 . 2]" 1
107 1 16 LEU QB 1 17 SER H . . 5.000 2.505 1.888 3.959 . 0 0 "[ . 1 . 2]" 1
108 1 16 LEU H 1 18 VAL MG1 . . 6.420 6.221 4.561 6.597 0.177 10 0 "[ . 1 . 2]" 1
109 1 16 LEU H 1 43 LEU MD1 . . 6.430 6.312 5.628 6.529 0.099 3 0 "[ . 1 . 2]" 1
110 1 16 LEU H 1 43 LEU MD2 . . 5.000 4.529 3.720 5.002 0.002 10 0 "[ . 1 . 2]" 1
111 1 17 SER H 1 18 VAL H . . 4.540 3.400 2.291 4.605 0.065 9 0 "[ . 1 . 2]" 1
112 1 17 SER H 1 18 VAL QG . . 5.000 4.367 3.510 5.047 0.047 8 0 "[ . 1 . 2]" 1
113 1 17 SER HA 1 18 VAL H . . 3.600 3.201 2.164 3.570 . 0 0 "[ . 1 . 2]" 1
114 1 18 VAL H 1 18 VAL HB . . 3.980 3.783 3.614 3.892 . 0 0 "[ . 1 . 2]" 1
115 1 18 VAL H 1 18 VAL QG . . 3.600 2.274 1.888 2.655 . 0 0 "[ . 1 . 2]" 1
116 1 18 VAL H 1 19 GLU H . . 5.000 3.867 2.921 4.596 . 0 0 "[ . 1 . 2]" 1
117 1 18 VAL HA 1 19 GLU H . . 3.600 2.286 2.142 2.709 . 0 0 "[ . 1 . 2]" 1
118 1 18 VAL HB 1 19 GLU H . . 4.460 3.587 1.912 4.314 . 0 0 "[ . 1 . 2]" 1
119 1 18 VAL QG 1 19 GLU H . . 5.000 3.288 2.174 3.722 . 0 0 "[ . 1 . 2]" 1
120 1 18 VAL H 1 21 ASP H . . 7.610 7.359 6.613 7.688 0.078 14 0 "[ . 1 . 2]" 1
121 1 19 GLU H 1 19 GLU QB . . 3.500 2.978 2.645 3.321 . 0 0 "[ . 1 . 2]" 1
122 1 19 GLU H 1 19 GLU QG . . 3.600 2.441 1.945 3.624 0.024 19 0 "[ . 1 . 2]" 1
123 1 19 GLU HA 1 20 GLU H . . 3.500 2.768 2.140 3.165 . 0 0 "[ . 1 . 2]" 1
124 1 19 GLU QB 1 20 GLU H . . 5.000 3.862 3.316 4.049 . 0 0 "[ . 1 . 2]" 1
125 1 19 GLU QG 1 20 GLU H . . 4.370 3.981 3.321 4.585 0.215 19 0 "[ . 1 . 2]" 1
126 1 19 GLU H 1 21 ASP H . . 5.000 4.645 4.107 5.122 0.122 1 0 "[ . 1 . 2]" 1
127 1 19 GLU HA 1 21 ASP H . . 3.500 3.169 2.969 3.433 . 0 0 "[ . 1 . 2]" 1
128 1 19 GLU QB 1 21 ASP H . . 5.000 4.066 2.536 4.527 . 0 0 "[ . 1 . 2]" 1
129 1 19 GLU H 1 23 ILE QG . . 6.050 5.743 4.610 6.180 0.130 18 0 "[ . 1 . 2]" 1
130 1 20 GLU H 1 21 ASP H . . 3.500 2.546 2.142 2.691 . 0 0 "[ . 1 . 2]" 1
131 1 20 GLU HA 1 21 ASP H . . 5.000 3.393 3.323 3.471 . 0 0 "[ . 1 . 2]" 1
132 1 20 GLU QB 1 21 ASP H . . 3.600 3.576 2.980 3.786 0.186 1 0 "[ . 1 . 2]" 1
133 1 20 GLU H 1 22 LYS H . . 5.000 4.589 4.082 5.003 0.003 10 0 "[ . 1 . 2]" 1
134 1 20 GLU H 1 22 LYS QG . . 5.000 4.397 4.043 4.965 . 0 0 "[ . 1 . 2]" 1
135 1 20 GLU H 1 22 LYS QD . . 5.000 4.960 3.317 5.150 0.150 9 0 "[ . 1 . 2]" 1
136 1 20 GLU H 1 23 ILE H . . 5.000 4.984 4.749 5.132 0.132 8 0 "[ . 1 . 2]" 1
137 1 21 ASP H 1 21 ASP QB . . 3.600 2.272 2.044 2.406 . 0 0 "[ . 1 . 2]" 1
138 1 21 ASP H 1 22 LYS H . . 3.500 2.881 2.300 3.299 . 0 0 "[ . 1 . 2]" 1
139 1 21 ASP H 1 22 LYS QG . . 3.500 3.176 2.898 3.599 0.099 1 0 "[ . 1 . 2]" 1
140 1 21 ASP QB 1 22 LYS H . . 3.950 3.688 3.141 3.958 0.008 15 0 "[ . 1 . 2]" 1
141 1 21 ASP H 1 23 ILE H . . 5.000 3.992 3.800 4.193 . 0 0 "[ . 1 . 2]" 1
142 1 21 ASP HA 1 23 ILE H . . 5.000 4.344 4.009 4.722 . 0 0 "[ . 1 . 2]" 1
143 1 22 LYS H 1 22 LYS QG . . 3.600 2.367 1.897 2.749 . 0 0 "[ . 1 . 2]" 1
144 1 22 LYS H 1 22 LYS QB . . 3.600 3.340 3.047 3.466 . 0 0 "[ . 1 . 2]" 1
145 1 22 LYS H 1 23 ILE H . . 3.600 1.854 1.777 2.033 . 0 0 "[ . 1 . 2]" 1
146 1 22 LYS H 1 23 ILE MG . . 5.000 3.625 2.627 5.058 0.058 1 0 "[ . 1 . 2]" 1
147 1 22 LYS H 1 23 ILE MD . . 5.990 5.569 5.293 5.837 . 0 0 "[ . 1 . 2]" 1
148 1 22 LYS HA 1 23 ILE H . . 5.000 3.349 2.997 3.526 . 0 0 "[ . 1 . 2]" 1
149 1 22 LYS QB 1 23 ILE H . . 5.000 3.615 3.310 3.994 . 0 0 "[ . 1 . 2]" 1
150 1 22 LYS H 1 24 GLN H . . 5.000 3.109 2.553 4.217 . 0 0 "[ . 1 . 2]" 1
151 1 22 LYS H 1 24 GLN QE . . 5.300 4.383 1.847 5.496 0.196 20 0 "[ . 1 . 2]" 1
152 1 22 LYS HA 1 24 GLN H . . 5.000 3.926 3.558 4.367 . 0 0 "[ . 1 . 2]" 1
153 1 22 LYS QD 1 24 GLN H . . 6.260 5.410 4.278 6.302 0.042 17 0 "[ . 1 . 2]" 1
154 1 23 ILE H 1 23 ILE HB . . 3.600 2.437 2.129 2.954 . 0 0 "[ . 1 . 2]" 1
155 1 23 ILE H 1 23 ILE QG . . 5.000 3.847 2.789 4.175 . 0 0 "[ . 1 . 2]" 1
156 1 23 ILE H 1 23 ILE MD . . 5.000 4.225 3.898 4.636 . 0 0 "[ . 1 . 2]" 1
157 1 23 ILE H 1 24 GLN H . . 3.600 2.358 1.828 2.791 . 0 0 "[ . 1 . 2]" 1
158 1 23 ILE H 1 24 GLN QG . . 5.920 4.874 3.166 6.000 0.080 14 0 "[ . 1 . 2]" 1
159 1 23 ILE H 1 24 GLN QE . . 5.000 4.516 2.969 5.093 0.093 13 0 "[ . 1 . 2]" 1
160 1 23 ILE H 1 24 GLN QB . . 5.380 4.441 3.708 5.158 . 0 0 "[ . 1 . 2]" 1
161 1 23 ILE HA 1 24 GLN H . . 3.500 3.446 3.343 3.549 0.049 1 0 "[ . 1 . 2]" 1
162 1 23 ILE MG 1 24 GLN H . . 3.600 2.435 2.053 3.099 . 0 0 "[ . 1 . 2]" 1
163 1 23 ILE MD 1 24 GLN H . . 5.000 4.490 4.137 5.060 0.060 2 0 "[ . 1 . 2]" 1
164 1 23 ILE H 1 25 MET QG . . 5.480 5.028 4.386 5.500 0.020 5 0 "[ . 1 . 2]" 1
165 1 23 ILE MD 1 60 ALA H . . 10.000 10.067 10.016 10.165 0.165 1 0 "[ . 1 . 2]" 1
166 1 24 GLN H 1 24 GLN QE . . 4.130 3.242 1.881 4.023 . 0 0 "[ . 1 . 2]" 1
167 1 24 GLN HA 1 25 MET H . . 3.500 2.417 2.140 2.811 . 0 0 "[ . 1 . 2]" 1
168 1 24 GLN QB 1 25 MET H . . 4.060 3.894 2.961 4.056 . 0 0 "[ . 1 . 2]" 1
169 1 24 GLN QG 1 26 ASN H . . 5.000 4.320 2.795 5.120 0.120 8 0 "[ . 1 . 2]" 1
170 1 24 GLN QE 1 26 ASN H . . 6.020 5.764 4.912 6.127 0.107 10 0 "[ . 1 . 2]" 1
171 1 25 MET H 1 25 MET QB . . 3.500 2.350 2.055 2.684 . 0 0 "[ . 1 . 2]" 1
172 1 25 MET H 1 26 ASN H . . 5.000 2.292 1.963 2.629 . 0 0 "[ . 1 . 2]" 1
173 1 25 MET HA 1 26 ASN H . . 5.000 3.314 3.238 3.571 . 0 0 "[ . 1 . 2]" 1
174 1 25 MET QB 1 26 ASN H . . 3.500 3.190 1.977 3.430 . 0 0 "[ . 1 . 2]" 1
175 1 25 MET H 1 66 VAL QG . . 5.000 3.702 3.388 4.367 . 0 0 "[ . 1 . 2]" 1
176 1 26 ASN H 1 26 ASN QD . . 4.080 3.680 3.249 4.054 . 0 0 "[ . 1 . 2]" 1
177 1 26 ASN H 1 27 SER HA . . 5.830 5.138 4.443 5.284 . 0 0 "[ . 1 . 2]" 1
178 1 26 ASN HA 1 27 SER H . . 5.000 3.151 2.989 3.564 . 0 0 "[ . 1 . 2]" 1
179 1 26 ASN QB 1 27 SER H . . 5.000 3.538 2.427 3.737 . 0 0 "[ . 1 . 2]" 1
180 1 26 ASN H 1 66 VAL MG2 . . 5.000 2.651 2.202 4.350 . 0 0 "[ . 1 . 2]" 1
181 1 26 ASN HA 1 67 GLN H . . 6.110 4.275 3.941 5.121 . 0 0 "[ . 1 . 2]" 1
182 1 27 SER H 1 27 SER QB . . 3.500 2.396 2.130 2.606 . 0 0 "[ . 1 . 2]" 1
183 1 27 SER H 1 28 ASN H . . 5.000 2.721 2.540 3.211 . 0 0 "[ . 1 . 2]" 1
184 1 27 SER QB 1 28 ASN H . . 5.000 2.039 1.919 2.133 . 0 0 "[ . 1 . 2]" 1
185 1 27 SER QB 1 33 LEU H . . 5.440 5.258 4.662 5.512 0.072 14 0 "[ . 1 . 2]" 1
186 1 28 ASN H 1 28 ASN QD . . 3.600 3.358 2.632 3.660 0.060 10 0 "[ . 1 . 2]" 1
187 1 28 ASN H 1 29 PHE H . . 5.000 4.402 4.383 4.429 . 0 0 "[ . 1 . 2]" 1
188 1 28 ASN HA 1 29 PHE H . . 3.600 2.409 2.312 2.564 . 0 0 "[ . 1 . 2]" 1
189 1 28 ASN QB 1 29 PHE H . . 5.000 2.532 2.132 2.762 . 0 0 "[ . 1 . 2]" 1
190 1 28 ASN QD 1 29 PHE H . . 5.000 4.790 4.396 4.995 . 0 0 "[ . 1 . 2]" 1
191 1 28 ASN HA 1 30 THR H . . 5.000 4.511 4.157 4.944 . 0 0 "[ . 1 . 2]" 1
192 1 28 ASN QB 1 30 THR H . . 5.000 3.164 2.505 3.760 . 0 0 "[ . 1 . 2]" 1
193 1 28 ASN H 1 31 LYS H . . 5.000 4.965 4.766 5.118 0.118 4 0 "[ . 1 . 2]" 1
194 1 28 ASN H 1 31 LYS HA . . 6.900 6.914 6.765 6.991 0.091 3 0 "[ . 1 . 2]" 1
195 1 28 ASN H 1 31 LYS QG . . 5.250 5.310 5.248 5.380 0.130 16 0 "[ . 1 . 2]" 1
196 1 28 ASN H 1 31 LYS QD . . 6.550 5.793 5.603 6.497 . 0 0 "[ . 1 . 2]" 1
197 1 28 ASN H 1 31 LYS QB . . 4.940 4.930 4.564 5.019 0.079 6 0 "[ . 1 . 2]" 1
198 1 28 ASN HA 1 31 LYS H . . 5.000 4.375 4.210 4.533 . 0 0 "[ . 1 . 2]" 1
199 1 28 ASN QB 1 31 LYS H . . 5.000 2.005 1.879 2.329 . 0 0 "[ . 1 . 2]" 1
200 1 28 ASN QD 1 31 LYS H . . 5.000 4.521 3.707 5.011 0.011 5 0 "[ . 1 . 2]" 1
201 1 28 ASN H 1 32 ASP H . . 5.000 4.000 3.517 4.277 . 0 0 "[ . 1 . 2]" 1
202 1 28 ASN H 1 32 ASP HA . . 5.000 4.393 4.208 4.552 . 0 0 "[ . 1 . 2]" 1
203 1 28 ASN H 1 32 ASP QB . . 5.000 1.915 1.857 2.003 . 0 0 "[ . 1 . 2]" 1
204 1 28 ASN HA 1 32 ASP H . . 5.000 4.636 4.323 4.885 . 0 0 "[ . 1 . 2]" 1
205 1 28 ASN QB 1 32 ASP H . . 5.000 2.078 1.924 2.377 . 0 0 "[ . 1 . 2]" 1
206 1 28 ASN H 1 33 LEU H . . 5.000 4.716 4.145 5.092 0.092 12 0 "[ . 1 . 2]" 1
207 1 28 ASN H 1 65 THR MG . . 5.610 4.749 4.571 5.047 . 0 0 "[ . 1 . 2]" 1
208 1 28 ASN QD 1 65 THR MG . . 5.000 3.982 2.976 5.020 0.020 7 0 "[ . 1 . 2]" 1
209 1 29 PHE H 1 29 PHE QD . . 5.000 3.128 2.975 3.247 . 0 0 "[ . 1 . 2]" 1
210 1 29 PHE H 1 30 THR MG . . 5.000 3.821 3.520 4.086 . 0 0 "[ . 1 . 2]" 1
211 1 29 PHE HA 1 30 THR H . . 3.500 3.542 3.494 3.568 0.068 9 0 "[ . 1 . 2]" 1
212 1 29 PHE QB 1 30 THR H . . 5.000 2.619 2.241 2.872 . 0 0 "[ . 1 . 2]" 1
213 1 29 PHE QD 1 30 THR H . . 5.000 4.525 4.276 4.624 . 0 0 "[ . 1 . 2]" 1
214 1 29 PHE H 1 32 ASP H . . 5.650 4.182 3.953 4.410 . 0 0 "[ . 1 . 2]" 1
215 1 29 PHE HA 1 33 LEU H . . 5.920 4.529 4.032 5.195 . 0 0 "[ . 1 . 2]" 1
216 1 29 PHE QB 1 35 ALA H . . 6.270 6.067 5.709 6.429 0.159 12 0 "[ . 1 . 2]" 1
217 1 29 PHE QD 1 40 LEU H . . 7.020 6.348 5.665 6.799 . 0 0 "[ . 1 . 2]" 1
218 1 29 PHE H 1 64 ASN H . . 5.000 4.790 4.366 5.079 0.079 10 0 "[ . 1 . 2]" 1
219 1 29 PHE H 1 64 ASN HA . . 5.000 2.349 2.015 2.627 . 0 0 "[ . 1 . 2]" 1
220 1 29 PHE QD 1 64 ASN H . . 5.000 4.296 4.121 4.470 . 0 0 "[ . 1 . 2]" 1
221 1 29 PHE H 1 65 THR MG . . 5.470 4.874 4.595 5.320 . 0 0 "[ . 1 . 2]" 1
222 1 29 PHE QD 1 65 THR H . . 5.000 4.309 4.077 4.617 . 0 0 "[ . 1 . 2]" 1
223 1 29 PHE H 1 66 VAL HA . . 8.230 8.300 8.234 8.406 0.176 17 0 "[ . 1 . 2]" 1
224 1 29 PHE QD 1 66 VAL H . . 5.000 4.964 4.797 5.092 0.092 19 0 "[ . 1 . 2]" 1
225 1 29 PHE QE 1 66 VAL H . . 5.000 4.406 4.001 4.787 . 0 0 "[ . 1 . 2]" 1
226 1 29 PHE QD 1 69 ALA H . . 6.540 6.593 6.490 6.637 0.097 17 0 "[ . 1 . 2]" 1
227 1 29 PHE QE 1 69 ALA H . . 6.080 5.762 5.581 5.882 . 0 0 "[ . 1 . 2]" 1
228 1 30 THR H 1 30 THR HB . . 3.500 3.058 2.897 3.184 . 0 0 "[ . 1 . 2]" 1
229 1 30 THR H 1 30 THR MG . . 3.600 2.054 1.931 2.206 . 0 0 "[ . 1 . 2]" 1
230 1 30 THR H 1 31 LYS QG . . 5.000 2.669 2.525 2.932 . 0 0 "[ . 1 . 2]" 1
231 1 30 THR H 1 31 LYS QB . . 5.000 4.424 4.287 4.679 . 0 0 "[ . 1 . 2]" 1
232 1 30 THR HA 1 31 LYS H . . 5.000 3.190 3.089 3.401 . 0 0 "[ . 1 . 2]" 1
233 1 31 LYS H 1 31 LYS HG3 . . 3.500 2.147 1.923 2.484 . 0 0 "[ . 1 . 2]" 1
234 1 31 LYS H 1 31 LYS QB . . 3.500 2.918 2.742 2.979 . 0 0 "[ . 1 . 2]" 1
235 1 31 LYS H 1 32 ASP H . . 3.500 1.943 1.844 2.261 . 0 0 "[ . 1 . 2]" 1
236 1 31 LYS H 1 32 ASP HA . . 5.000 4.661 4.567 4.951 . 0 0 "[ . 1 . 2]" 1
237 1 31 LYS HA 1 32 ASP H . . 5.000 3.390 3.335 3.513 . 0 0 "[ . 1 . 2]" 1
238 1 31 LYS HG3 1 32 ASP H . . 3.600 3.668 3.622 3.734 0.134 12 0 "[ . 1 . 2]" 1
239 1 31 LYS QB 1 32 ASP H . . 5.000 3.230 2.735 3.395 . 0 0 "[ . 1 . 2]" 1
240 1 31 LYS H 1 33 LEU H . . 5.000 4.079 3.359 4.628 . 0 0 "[ . 1 . 2]" 1
241 1 31 LYS H 1 41 VAL MG2 . . 8.370 8.392 8.224 8.447 0.077 18 0 "[ . 1 . 2]" 1
242 1 32 ASP H 1 32 ASP QB . . 3.600 2.325 2.207 2.417 . 0 0 "[ . 1 . 2]" 1
243 1 32 ASP H 1 33 LEU H . . 3.600 2.551 2.061 2.981 . 0 0 "[ . 1 . 2]" 1
244 1 32 ASP H 1 33 LEU HA . . 5.910 5.063 4.801 5.407 . 0 0 "[ . 1 . 2]" 1
245 1 32 ASP H 1 33 LEU QB . . 5.650 4.934 4.252 5.295 . 0 0 "[ . 1 . 2]" 1
246 1 32 ASP H 1 33 LEU MD1 . . 5.000 4.842 3.124 5.162 0.162 12 0 "[ . 1 . 2]" 1
247 1 32 ASP HA 1 33 LEU H . . 5.000 3.556 3.498 3.570 . 0 0 "[ . 1 . 2]" 1
248 1 32 ASP QB 1 33 LEU H . . 3.600 2.174 1.907 2.831 . 0 0 "[ . 1 . 2]" 1
249 1 32 ASP H 1 34 GLY H . . 5.000 3.215 3.044 3.548 . 0 0 "[ . 1 . 2]" 1
250 1 32 ASP H 1 34 GLY QA . . 5.000 4.529 4.368 4.875 . 0 0 "[ . 1 . 2]" 1
251 1 32 ASP HA 1 34 GLY H . . 5.000 4.467 3.938 5.015 0.015 4 0 "[ . 1 . 2]" 1
252 1 32 ASP QB 1 34 GLY H . . 5.000 4.201 3.868 4.597 . 0 0 "[ . 1 . 2]" 1
253 1 33 LEU H 1 33 LEU QB . . 3.500 2.686 2.274 3.018 . 0 0 "[ . 1 . 2]" 1
254 1 33 LEU H 1 33 LEU HG . . 5.000 2.317 1.911 3.873 . 0 0 "[ . 1 . 2]" 1
255 1 33 LEU H 1 33 LEU MD1 . . 5.000 3.495 1.720 3.886 . 0 0 "[ . 1 . 2]" 1
256 1 33 LEU H 1 34 GLY H . . 3.600 2.469 2.009 2.824 . 0 0 "[ . 1 . 2]" 1
257 1 33 LEU HA 1 34 GLY H . . 3.500 3.463 3.264 3.547 0.047 7 0 "[ . 1 . 2]" 1
258 1 33 LEU QB 1 34 GLY H . . 5.000 3.500 3.218 3.811 . 0 0 "[ . 1 . 2]" 1
259 1 33 LEU HG 1 34 GLY H . . 5.000 2.546 1.947 4.715 . 0 0 "[ . 1 . 2]" 1
260 1 33 LEU MD1 1 34 GLY H . . 5.000 3.273 2.145 4.785 . 0 0 "[ . 1 . 2]" 1
261 1 33 LEU H 1 35 ALA H . . 5.000 4.638 4.122 5.005 0.005 15 0 "[ . 1 . 2]" 1
262 1 33 LEU H 1 35 ALA MB . . 5.560 5.250 4.712 5.536 . 0 0 "[ . 1 . 2]" 1
263 1 33 LEU HA 1 35 ALA H . . 5.500 5.353 4.673 5.629 0.129 17 0 "[ . 1 . 2]" 1
264 1 33 LEU QB 1 35 ALA H . . 5.000 4.119 3.155 4.961 . 0 0 "[ . 1 . 2]" 1
265 1 33 LEU HG 1 35 ALA H . . 5.000 3.244 2.635 4.656 . 0 0 "[ . 1 . 2]" 1
266 1 34 GLY H 1 35 ALA H . . 5.000 2.786 2.416 3.164 . 0 0 "[ . 1 . 2]" 1
267 1 34 GLY H 1 35 ALA MB . . 5.000 4.263 3.957 4.507 . 0 0 "[ . 1 . 2]" 1
268 1 35 ALA H 1 36 ASP H . . 3.500 2.969 2.852 3.232 . 0 0 "[ . 1 . 2]" 1
269 1 35 ALA H 1 36 ASP QB . . 5.960 5.225 5.084 5.481 . 0 0 "[ . 1 . 2]" 1
270 1 35 ALA HA 1 36 ASP H . . 5.000 3.549 3.534 3.554 . 0 0 "[ . 1 . 2]" 1
271 1 35 ALA MB 1 36 ASP H . . 5.000 2.078 1.919 2.120 . 0 0 "[ . 1 . 2]" 1
272 1 36 ASP H 1 37 SER H . . 5.000 4.084 3.912 4.243 . 0 0 "[ . 1 . 2]" 1
273 1 36 ASP HA 1 37 SER H . . 5.000 2.213 2.185 2.296 . 0 0 "[ . 1 . 2]" 1
274 1 36 ASP QB 1 39 ASP H . . 5.000 2.367 2.148 3.236 . 0 0 "[ . 1 . 2]" 1
275 1 36 ASP H 1 40 LEU H . . 5.000 3.891 3.575 4.257 . 0 0 "[ . 1 . 2]" 1
276 1 36 ASP QB 1 40 LEU H . . 5.000 3.799 3.429 4.845 . 0 0 "[ . 1 . 2]" 1
277 1 37 SER H 1 38 LEU MD1 . . 5.000 3.304 3.189 3.504 . 0 0 "[ . 1 . 2]" 1
278 1 37 SER H 1 38 LEU QB . . 5.320 5.118 5.000 5.288 . 0 0 "[ . 1 . 2]" 1
279 1 37 SER H 1 38 LEU H . . 3.600 2.876 2.803 3.047 . 0 0 "[ . 1 . 2]" 1
280 1 37 SER HA 1 39 ASP H . . 5.990 4.515 4.293 4.704 . 0 0 "[ . 1 . 2]" 1
281 1 37 SER H 1 40 LEU HA . . 7.600 7.388 7.216 7.617 0.017 7 0 "[ . 1 . 2]" 1
282 1 37 SER HA 1 40 LEU H . . 5.020 3.870 3.633 4.082 . 0 0 "[ . 1 . 2]" 1
283 1 38 LEU H 1 40 LEU HA . . 7.430 7.020 6.763 7.199 . 0 0 "[ . 1 . 2]" 1
284 1 38 LEU MD1 1 40 LEU H . . 5.370 5.311 5.127 5.426 0.056 12 0 "[ . 1 . 2]" 1
285 1 38 LEU HA 1 41 VAL H . . 5.710 3.746 3.375 4.105 . 0 0 "[ . 1 . 2]" 1
286 1 39 ASP QB 1 40 LEU H . . 5.000 2.374 2.220 2.748 . 0 0 "[ . 1 . 2]" 1
287 1 40 LEU H 1 40 LEU QB . . 3.600 2.121 2.023 2.247 . 0 0 "[ . 1 . 2]" 1
288 1 40 LEU H 1 40 LEU MD1 . . 5.000 4.083 3.341 4.317 . 0 0 "[ . 1 . 2]" 1
289 1 40 LEU H 1 41 VAL H . . 3.600 2.821 2.651 2.960 . 0 0 "[ . 1 . 2]" 1
290 1 40 LEU HA 1 41 VAL H . . 3.500 3.548 3.519 3.567 0.067 3 0 "[ . 1 . 2]" 1
291 1 40 LEU QB 1 41 VAL H . . 5.000 2.537 2.345 2.745 . 0 0 "[ . 1 . 2]" 1
292 1 40 LEU H 1 42 GLU QB . . 5.000 4.645 4.407 4.940 . 0 0 "[ . 1 . 2]" 1
293 1 40 LEU H 1 42 GLU QG . . 5.940 5.690 4.982 6.042 0.102 10 0 "[ . 1 . 2]" 1
294 1 40 LEU HA 1 42 GLU H . . 5.000 4.126 3.972 4.480 . 0 0 "[ . 1 . 2]" 1
295 1 40 LEU H 1 43 LEU MD1 . . 7.240 5.448 4.974 5.726 . 0 0 "[ . 1 . 2]" 1
296 1 40 LEU H 1 43 LEU MD2 . . 5.000 3.623 3.409 3.995 . 0 0 "[ . 1 . 2]" 1
297 1 40 LEU MD2 1 43 LEU H . . 6.800 5.592 4.812 6.616 . 0 0 "[ . 1 . 2]" 1
298 1 41 VAL H 1 41 VAL HB . . 3.500 2.501 2.391 2.627 . 0 0 "[ . 1 . 2]" 1
299 1 41 VAL H 1 42 GLU H . . 5.000 2.549 2.532 2.599 . 0 0 "[ . 1 . 2]" 1
300 1 41 VAL QG 1 42 GLU H . . 5.000 3.399 3.272 3.479 . 0 0 "[ . 1 . 2]" 1
301 1 41 VAL HA 1 42 GLU H . . 5.000 3.467 3.436 3.526 . 0 0 "[ . 1 . 2]" 1
302 1 41 VAL HB 1 42 GLU H . . 3.600 2.976 2.692 3.091 . 0 0 "[ . 1 . 2]" 1
303 1 41 VAL H 1 43 LEU H . . 5.000 4.773 4.718 4.871 . 0 0 "[ . 1 . 2]" 1
304 1 41 VAL HA 1 43 LEU H . . 5.000 5.115 5.083 5.149 0.149 12 0 "[ . 1 . 2]" 1
305 1 41 VAL HB 1 43 LEU H . . 5.790 5.728 5.601 5.824 0.034 8 0 "[ . 1 . 2]" 1
306 1 41 VAL H 1 45 MET H . . 6.920 5.945 5.827 5.977 . 0 0 "[ . 1 . 2]" 1
307 1 41 VAL HA 1 45 MET H . . 5.000 3.956 3.843 4.011 . 0 0 "[ . 1 . 2]" 1
308 1 42 GLU H 1 42 GLU QB . . 3.500 2.146 2.068 2.344 . 0 0 "[ . 1 . 2]" 1
309 1 42 GLU H 1 43 LEU H . . 3.500 2.822 2.748 3.005 . 0 0 "[ . 1 . 2]" 1
310 1 42 GLU HA 1 45 MET H . . 3.600 3.573 3.480 3.643 0.043 1 0 "[ . 1 . 2]" 1
311 1 43 LEU H 1 43 LEU HG . . 3.600 2.293 2.132 2.420 . 0 0 "[ . 1 . 2]" 1
312 1 43 LEU H 1 43 LEU MD1 . . 5.000 3.815 3.732 3.894 . 0 0 "[ . 1 . 2]" 1
313 1 43 LEU H 1 43 LEU MD2 . . 5.000 2.746 2.570 2.922 . 0 0 "[ . 1 . 2]" 1
314 1 43 LEU H 1 43 LEU QB . . 3.600 2.496 2.434 2.587 . 0 0 "[ . 1 . 2]" 1
315 1 43 LEU H 1 44 ILE H . . 5.000 2.826 2.800 2.864 . 0 0 "[ . 1 . 2]" 1
316 1 43 LEU QB 1 44 ILE H . . 3.500 3.362 3.290 3.448 . 0 0 "[ . 1 . 2]" 1
317 1 43 LEU HA 1 46 ALA H . . 5.000 3.624 3.558 3.708 . 0 0 "[ . 1 . 2]" 1
318 1 43 LEU MD1 1 46 ALA H . . 5.380 5.153 5.046 5.313 . 0 0 "[ . 1 . 2]" 1
319 1 43 LEU MD2 1 46 ALA H . . 7.000 6.398 6.343 6.451 . 0 0 "[ . 1 . 2]" 1
320 1 43 LEU MD1 1 63 ILE H . . 7.090 7.142 7.007 7.229 0.139 4 0 "[ . 1 . 2]" 1
321 1 43 LEU HG 1 72 TYR QE . . 9.380 9.422 9.256 9.485 0.105 16 0 "[ . 1 . 2]" 1
322 1 44 ILE H 1 44 ILE HB . . 3.600 2.404 2.356 2.462 . 0 0 "[ . 1 . 2]" 1
323 1 44 ILE H 1 44 ILE QG . . 5.000 2.339 2.221 2.439 . 0 0 "[ . 1 . 2]" 1
324 1 44 ILE HA 1 45 MET H . . 3.500 3.554 3.549 3.560 0.060 4 0 "[ . 1 . 2]" 1
325 1 44 ILE HA 1 46 ALA H . . 4.020 3.977 3.884 4.058 0.038 3 0 "[ . 1 . 2]" 1
326 1 44 ILE HA 1 47 LEU H . . 3.800 3.174 3.082 3.255 . 0 0 "[ . 1 . 2]" 1
327 1 45 MET H 1 45 MET QG . . 5.000 3.048 2.923 3.166 . 0 0 "[ . 1 . 2]" 1
328 1 45 MET H 1 45 MET QB . . 3.600 2.107 2.072 2.147 . 0 0 "[ . 1 . 2]" 1
329 1 45 MET H 1 46 ALA MB . . 5.000 4.434 4.397 4.465 . 0 0 "[ . 1 . 2]" 1
330 1 45 MET QG 1 46 ALA H . . 5.000 2.202 2.100 2.248 . 0 0 "[ . 1 . 2]" 1
331 1 45 MET QB 1 46 ALA H . . 5.000 3.412 3.332 3.492 . 0 0 "[ . 1 . 2]" 1
332 1 45 MET QG 1 47 LEU H . . 5.400 4.440 4.368 4.495 . 0 0 "[ . 1 . 2]" 1
333 1 45 MET HA 1 48 GLU H . . 5.000 3.843 3.634 3.965 . 0 0 "[ . 1 . 2]" 1
334 1 46 ALA H 1 46 ALA MB . . 3.600 2.208 2.200 2.220 . 0 0 "[ . 1 . 2]" 1
335 1 46 ALA H 1 47 LEU H . . 3.500 2.468 2.392 2.549 . 0 0 "[ . 1 . 2]" 1
336 1 46 ALA H 1 47 LEU QB . . 5.000 4.126 4.038 4.204 . 0 0 "[ . 1 . 2]" 1
337 1 46 ALA MB 1 47 LEU H . . 5.000 2.630 2.559 2.744 . 0 0 "[ . 1 . 2]" 1
338 1 46 ALA MB 1 49 GLU H . . 5.000 4.598 4.406 4.746 . 0 0 "[ . 1 . 2]" 1
339 1 46 ALA HA 1 49 GLU H . . 5.000 3.401 3.176 3.576 . 0 0 "[ . 1 . 2]" 1
340 1 47 LEU H 1 47 LEU QB . . 3.500 2.071 2.035 2.114 . 0 0 "[ . 1 . 2]" 1
341 1 47 LEU H 1 49 GLU H . . 4.310 4.117 4.006 4.259 . 0 0 "[ . 1 . 2]" 1
342 1 47 LEU HA 1 50 LYS H . . 5.000 3.854 3.698 4.014 . 0 0 "[ . 1 . 2]" 1
343 1 47 LEU H 1 51 PHE H . . 6.650 6.072 5.870 6.208 . 0 0 "[ . 1 . 2]" 1
344 1 47 LEU HA 1 51 PHE H . . 5.010 4.314 4.081 4.506 . 0 0 "[ . 1 . 2]" 1
345 1 47 LEU MD1 1 63 ILE H . . 7.450 6.246 5.878 6.696 . 0 0 "[ . 1 . 2]" 1
346 1 47 LEU MD2 1 77 ASN H . . 7.700 6.900 6.274 7.527 . 0 0 "[ . 1 . 2]" 1
347 1 47 LEU MD2 1 77 ASN QD . . 6.580 5.411 4.239 6.645 0.065 5 0 "[ . 1 . 2]" 1
348 1 48 GLU H 1 48 GLU QB . . 3.600 2.550 2.147 2.726 . 0 0 "[ . 1 . 2]" 1
349 1 48 GLU H 1 49 GLU H . . 3.600 2.539 2.396 2.710 . 0 0 "[ . 1 . 2]" 1
350 1 48 GLU H 1 50 LYS H . . 5.000 3.994 3.828 4.131 . 0 0 "[ . 1 . 2]" 1
351 1 48 GLU HA 1 51 PHE H . . 3.600 3.125 2.924 3.351 . 0 0 "[ . 1 . 2]" 1
352 1 48 GLU HA 1 53 VAL H . . 5.000 3.789 3.390 4.236 . 0 0 "[ . 1 . 2]" 1
353 1 48 GLU H 1 55 ILE MD . . 5.000 4.226 3.667 4.563 . 0 0 "[ . 1 . 2]" 1
354 1 48 GLU QB 1 77 ASN H . . 7.940 7.894 7.541 8.011 0.071 10 0 "[ . 1 . 2]" 1
355 1 49 GLU HA 1 50 LYS H . . 3.500 3.485 3.392 3.518 0.018 14 0 "[ . 1 . 2]" 1
356 1 49 GLU QB 1 50 LYS H . . 5.000 2.833 2.675 3.149 . 0 0 "[ . 1 . 2]" 1
357 1 49 GLU QG 1 50 LYS H . . 5.000 4.195 3.675 4.593 . 0 0 "[ . 1 . 2]" 1
358 1 49 GLU HA 1 52 ASN H . . 4.010 3.849 3.672 3.941 . 0 0 "[ . 1 . 2]" 1
359 1 49 GLU HA 1 53 VAL H . . 5.000 4.359 3.998 4.902 . 0 0 "[ . 1 . 2]" 1
360 1 50 LYS H 1 50 LYS QB . . 3.500 2.305 2.180 2.630 . 0 0 "[ . 1 . 2]" 1
361 1 50 LYS H 1 50 LYS QG . . 5.000 3.707 2.167 3.997 . 0 0 "[ . 1 . 2]" 1
362 1 50 LYS HA 1 51 PHE H . . 3.500 3.522 3.469 3.554 0.054 4 0 "[ . 1 . 2]" 1
363 1 50 LYS QB 1 51 PHE H . . 5.000 2.769 2.481 3.580 . 0 0 "[ . 1 . 2]" 1
364 1 50 LYS QG 1 51 PHE H . . 3.600 3.285 1.980 3.626 0.026 3 0 "[ . 1 . 2]" 1
365 1 51 PHE H 1 51 PHE QD . . 5.000 3.365 2.606 3.796 . 0 0 "[ . 1 . 2]" 1
366 1 51 PHE H 1 51 PHE QE . . 5.930 5.340 4.871 5.689 . 0 0 "[ . 1 . 2]" 1
367 1 51 PHE H 1 52 ASN H . . 3.500 2.540 2.410 2.637 . 0 0 "[ . 1 . 2]" 1
368 1 51 PHE HA 1 52 ASN H . . 3.500 3.395 3.330 3.477 . 0 0 "[ . 1 . 2]" 1
369 1 51 PHE H 1 53 VAL H . . 5.000 4.429 4.066 4.782 . 0 0 "[ . 1 . 2]" 1
370 1 51 PHE QB 1 53 VAL H . . 5.000 3.540 3.299 3.851 . 0 0 "[ . 1 . 2]" 1
371 1 51 PHE H 1 55 ILE MD . . 5.500 5.463 5.278 5.563 0.063 17 0 "[ . 1 . 2]" 1
372 1 51 PHE H 1 73 ILE MG . . 7.320 6.785 6.353 7.327 0.007 3 0 "[ . 1 . 2]" 1
373 1 52 ASN HA 1 53 VAL H . . 3.500 2.639 2.531 2.790 . 0 0 "[ . 1 . 2]" 1
374 1 52 ASN QB 1 53 VAL H . . 5.000 3.971 3.891 4.030 . 0 0 "[ . 1 . 2]" 1
375 1 53 VAL H 1 53 VAL HB . . 3.500 3.425 3.047 3.607 0.107 12 0 "[ . 1 . 2]" 1
376 1 53 VAL H 1 54 THR H . . 5.000 4.406 4.335 4.458 . 0 0 "[ . 1 . 2]" 1
377 1 53 VAL HA 1 54 THR H . . 3.500 2.637 2.544 2.752 . 0 0 "[ . 1 . 2]" 1
378 1 53 VAL HB 1 54 THR H . . 3.600 2.106 1.969 2.367 . 0 0 "[ . 1 . 2]" 1
379 1 53 VAL H 1 55 ILE QG . . 5.410 5.221 3.913 5.474 0.064 6 0 "[ . 1 . 2]" 1
380 1 54 THR H 1 54 THR HB . . 3.500 2.988 2.523 3.364 . 0 0 "[ . 1 . 2]" 1
381 1 54 THR H 1 55 ILE H . . 5.000 3.313 2.168 3.814 . 0 0 "[ . 1 . 2]" 1
382 1 54 THR HA 1 55 ILE H . . 5.000 2.511 2.245 3.437 . 0 0 "[ . 1 . 2]" 1
383 1 54 THR MG 1 55 ILE H . . 5.000 3.685 3.010 4.152 . 0 0 "[ . 1 . 2]" 1
384 1 54 THR MG 1 56 SER H . . 5.840 5.727 5.087 6.068 0.228 16 0 "[ . 1 . 2]" 1
385 1 54 THR H 1 72 TYR QE . . 6.260 5.513 4.743 6.316 0.056 1 0 "[ . 1 . 2]" 1
386 1 55 ILE H 1 55 ILE QG . . 5.000 2.502 1.923 2.838 . 0 0 "[ . 1 . 2]" 1
387 1 55 ILE H 1 56 SER H . . 5.000 3.684 2.272 4.632 . 0 0 "[ . 1 . 2]" 1
388 1 55 ILE HA 1 56 SER H . . 3.600 2.918 2.379 3.571 . 0 0 "[ . 1 . 2]" 1
389 1 55 ILE MG 1 56 SER H . . 5.000 2.711 1.849 3.751 . 0 0 "[ . 1 . 2]" 1
390 1 55 ILE QG 1 56 SER H . . 5.000 3.960 3.658 4.278 . 0 0 "[ . 1 . 2]" 1
391 1 55 ILE MG 1 59 ASP H . . 5.000 2.145 1.816 3.008 . 0 0 "[ . 1 . 2]" 1
392 1 55 ILE MG 1 60 ALA H . . 5.000 4.394 3.955 5.011 0.011 10 0 "[ . 1 . 2]" 1
393 1 55 ILE MG 1 61 LEU H . . 4.990 5.045 4.855 5.254 0.264 10 0 "[ . 1 . 2]" 1
394 1 56 SER HA 1 57 ASP H . . 3.600 3.534 3.458 3.569 . 0 0 "[ . 1 . 2]" 1
395 1 56 SER QB 1 57 ASP H . . 5.000 2.131 1.932 3.017 . 0 0 "[ . 1 . 2]" 1
396 1 56 SER H 1 59 ASP H . . 5.000 3.135 2.239 3.892 . 0 0 "[ . 1 . 2]" 1
397 1 56 SER H 1 59 ASP HA . . 5.330 5.059 4.496 5.447 0.117 15 0 "[ . 1 . 2]" 1
398 1 56 SER H 1 59 ASP QB . . 5.000 3.241 2.466 4.233 . 0 0 "[ . 1 . 2]" 1
399 1 56 SER H 1 60 ALA H . . 5.330 5.090 4.471 5.352 0.022 8 0 "[ . 1 . 2]" 1
400 1 56 SER H 1 72 TYR QD . . 6.870 6.937 6.766 7.082 0.212 1 0 "[ . 1 . 2]" 1
401 1 56 SER H 1 72 TYR QE . . 7.390 5.983 5.271 7.164 . 0 0 "[ . 1 . 2]" 1
402 1 57 ASP H 1 57 ASP QB . . 3.500 2.270 2.051 2.550 . 0 0 "[ . 1 . 2]" 1
403 1 57 ASP H 1 58 GLN H . . 5.000 2.540 1.953 3.007 . 0 0 "[ . 1 . 2]" 1
404 1 57 ASP H 1 58 GLN HA . . 5.380 5.094 4.613 5.485 0.105 16 0 "[ . 1 . 2]" 1
405 1 57 ASP QB 1 58 GLN H . . 3.500 2.793 2.092 3.426 . 0 0 "[ . 1 . 2]" 1
406 1 57 ASP H 1 59 ASP H . . 5.000 3.939 3.479 4.441 . 0 0 "[ . 1 . 2]" 1
407 1 57 ASP H 1 60 ALA H . . 6.050 5.340 4.921 5.779 . 0 0 "[ . 1 . 2]" 1
408 1 57 ASP HA 1 60 ALA H . . 5.000 3.951 3.354 4.731 . 0 0 "[ . 1 . 2]" 1
409 1 58 GLN H 1 58 GLN QE . . 3.600 3.342 2.583 3.634 0.034 14 0 "[ . 1 . 2]" 1
410 1 58 GLN H 1 59 ASP H . . 3.500 2.497 1.941 2.805 . 0 0 "[ . 1 . 2]" 1
411 1 58 GLN QB 1 59 ASP H . . 3.500 2.836 2.501 3.063 . 0 0 "[ . 1 . 2]" 1
412 1 58 GLN H 1 60 ALA H . . 5.700 4.582 3.821 5.214 . 0 0 "[ . 1 . 2]" 1
413 1 58 GLN HA 1 60 ALA H . . 5.630 4.751 3.895 5.064 . 0 0 "[ . 1 . 2]" 1
414 1 58 GLN QE 1 61 LEU MD2 . . 5.000 4.180 2.165 5.008 0.008 13 0 "[ . 1 . 2]" 1
415 1 59 ASP H 1 59 ASP QB . . 3.500 2.333 2.045 2.743 . 0 0 "[ . 1 . 2]" 1
416 1 59 ASP H 1 60 ALA H . . 3.500 2.889 2.654 3.142 . 0 0 "[ . 1 . 2]" 1
417 1 59 ASP H 1 60 ALA HA . . 5.790 5.425 5.244 5.591 . 0 0 "[ . 1 . 2]" 1
418 1 59 ASP H 1 60 ALA MB . . 5.000 4.427 4.202 4.661 . 0 0 "[ . 1 . 2]" 1
419 1 59 ASP QB 1 60 ALA H . . 5.000 2.633 2.047 3.277 . 0 0 "[ . 1 . 2]" 1
420 1 59 ASP H 1 61 LEU H . . 5.000 3.870 3.754 4.116 . 0 0 "[ . 1 . 2]" 1
421 1 59 ASP HA 1 61 LEU H . . 5.000 3.936 3.673 4.223 . 0 0 "[ . 1 . 2]" 1
422 1 59 ASP H 1 72 TYR QD . . 6.500 6.237 5.705 6.615 0.115 5 0 "[ . 1 . 2]" 1
423 1 59 ASP H 1 72 TYR QE . . 6.500 6.043 5.003 6.527 0.027 1 0 "[ . 1 . 2]" 1
424 1 60 ALA H 1 60 ALA MB . . 3.600 2.118 2.032 2.221 . 0 0 "[ . 1 . 2]" 1
425 1 60 ALA H 1 61 LEU H . . 5.000 2.728 2.610 2.819 . 0 0 "[ . 1 . 2]" 1
426 1 60 ALA H 1 61 LEU HG . . 5.000 4.402 3.914 5.002 0.002 15 0 "[ . 1 . 2]" 1
427 1 60 ALA HA 1 61 LEU H . . 5.000 3.455 3.367 3.508 . 0 0 "[ . 1 . 2]" 1
428 1 60 ALA MB 1 61 LEU H . . 5.000 2.924 2.735 3.173 . 0 0 "[ . 1 . 2]" 1
429 1 60 ALA H 1 62 LYS H . . 5.000 4.403 4.068 4.682 . 0 0 "[ . 1 . 2]" 1
430 1 60 ALA H 1 62 LYS QB . . 5.660 4.937 4.660 5.340 . 0 0 "[ . 1 . 2]" 1
431 1 60 ALA HA 1 62 LYS H . . 5.000 3.708 3.445 4.021 . 0 0 "[ . 1 . 2]" 1
432 1 60 ALA H 1 63 ILE HB . . 6.520 5.495 5.036 5.653 . 0 0 "[ . 1 . 2]" 1
433 1 60 ALA H 1 63 ILE MG . . 6.530 6.536 6.094 6.703 0.173 4 0 "[ . 1 . 2]" 1
434 1 60 ALA H 1 63 ILE MD . . 5.000 3.877 3.550 4.231 . 0 0 "[ . 1 . 2]" 1
435 1 60 ALA HA 1 63 ILE H . . 5.000 4.193 3.427 4.909 . 0 0 "[ . 1 . 2]" 1
436 1 61 LEU H 1 61 LEU QB . . 3.500 2.627 2.335 3.038 . 0 0 "[ . 1 . 2]" 1
437 1 61 LEU H 1 61 LEU HG . . 3.500 2.434 1.909 3.410 . 0 0 "[ . 1 . 2]" 1
438 1 61 LEU H 1 61 LEU MD2 . . 5.000 3.618 2.906 4.408 . 0 0 "[ . 1 . 2]" 1
439 1 61 LEU H 1 62 LYS H . . 3.500 2.712 2.324 3.055 . 0 0 "[ . 1 . 2]" 1
440 1 61 LEU H 1 63 ILE H . . 4.880 4.410 3.936 4.622 . 0 0 "[ . 1 . 2]" 1
441 1 61 LEU H 1 63 ILE MD . . 5.000 4.427 4.256 4.600 . 0 0 "[ . 1 . 2]" 1
442 1 62 LYS H 1 62 LYS QB . . 3.500 2.615 2.361 2.751 . 0 0 "[ . 1 . 2]" 1
443 1 62 LYS H 1 62 LYS QG . . 5.000 3.777 3.486 4.113 . 0 0 "[ . 1 . 2]" 1
444 1 62 LYS H 1 63 ILE MD . . 3.500 3.404 3.045 3.539 0.039 4 0 "[ . 1 . 2]" 1
445 1 62 LYS HA 1 63 ILE H . . 5.000 3.562 3.440 3.571 . 0 0 "[ . 1 . 2]" 1
446 1 62 LYS QB 1 63 ILE H . . 3.500 2.404 2.273 2.987 . 0 0 "[ . 1 . 2]" 1
447 1 62 LYS QG 1 63 ILE H . . 5.000 4.140 3.335 4.376 . 0 0 "[ . 1 . 2]" 1
448 1 62 LYS QG 1 65 THR H . . 6.090 5.672 4.780 5.988 . 0 0 "[ . 1 . 2]" 1
449 1 63 ILE H 1 63 ILE HB . . 3.500 2.466 2.415 2.495 . 0 0 "[ . 1 . 2]" 1
450 1 63 ILE H 1 63 ILE QG . . 3.500 2.980 2.841 3.477 . 0 0 "[ . 1 . 2]" 1
451 1 63 ILE H 1 63 ILE MD . . 4.000 1.964 1.879 2.356 . 0 0 "[ . 1 . 2]" 1
452 1 63 ILE H 1 64 ASN H . . 3.600 2.654 2.032 2.778 . 0 0 "[ . 1 . 2]" 1
453 1 63 ILE HA 1 64 ASN H . . 5.000 3.436 3.384 3.472 . 0 0 "[ . 1 . 2]" 1
454 1 63 ILE QG 1 64 ASN H . . 5.000 4.571 4.527 4.623 . 0 0 "[ . 1 . 2]" 1
455 1 63 ILE MG 1 64 ASN H . . 5.000 3.667 3.527 3.864 . 0 0 "[ . 1 . 2]" 1
456 1 63 ILE MD 1 64 ASN H . . 5.000 4.009 3.955 4.044 . 0 0 "[ . 1 . 2]" 1
457 1 63 ILE H 1 68 ASP H . . 7.610 7.070 6.798 7.443 . 0 0 "[ . 1 . 2]" 1
458 1 63 ILE H 1 68 ASP QB . . 5.000 4.426 4.090 4.899 . 0 0 "[ . 1 . 2]" 1
459 1 63 ILE MD 1 68 ASP H . . 7.780 7.343 7.161 7.624 . 0 0 "[ . 1 . 2]" 1
460 1 63 ILE MG 1 69 ALA H . . 5.000 4.655 4.377 4.830 . 0 0 "[ . 1 . 2]" 1
461 1 63 ILE HB 1 70 ILE MD . . 10.090 10.105 9.576 10.249 0.159 18 0 "[ . 1 . 2]" 1
462 1 63 ILE MD 1 72 TYR H . . 5.580 5.501 5.172 5.625 0.045 18 0 "[ . 1 . 2]" 1
463 1 64 ASN H 1 64 ASN QD . . 5.000 2.391 1.783 3.113 . 0 0 "[ . 1 . 2]" 1
464 1 64 ASN H 1 64 ASN QB . . 3.500 2.474 2.193 2.871 . 0 0 "[ . 1 . 2]" 1
465 1 64 ASN H 1 65 THR H . . 3.500 2.900 2.831 3.091 . 0 0 "[ . 1 . 2]" 1
466 1 64 ASN H 1 65 THR MG . . 5.000 4.463 4.158 4.612 . 0 0 "[ . 1 . 2]" 1
467 1 64 ASN HA 1 65 THR H . . 3.600 3.521 3.500 3.565 . 0 0 "[ . 1 . 2]" 1
468 1 64 ASN QB 1 65 THR H . . 3.500 3.292 2.728 3.492 . 0 0 "[ . 1 . 2]" 1
469 1 64 ASN QD 1 67 GLN H . . 6.350 5.988 5.669 6.364 0.014 20 0 "[ . 1 . 2]" 1
470 1 64 ASN H 1 68 ASP H . . 6.620 6.650 6.523 6.766 0.146 20 0 "[ . 1 . 2]" 1
471 1 64 ASN H 1 68 ASP QB . . 5.000 4.551 4.425 4.735 . 0 0 "[ . 1 . 2]" 1
472 1 64 ASN H 1 69 ALA H . . 5.750 5.675 5.590 5.771 0.021 16 0 "[ . 1 . 2]" 1
473 1 65 THR HA 1 66 VAL H . . 3.500 2.157 2.145 2.172 . 0 0 "[ . 1 . 2]" 1
474 1 65 THR HA 1 67 GLN H . . 5.000 3.820 3.750 4.013 . 0 0 "[ . 1 . 2]" 1
475 1 65 THR H 1 68 ASP H . . 5.000 4.225 4.143 4.304 . 0 0 "[ . 1 . 2]" 1
476 1 65 THR H 1 68 ASP HA . . 6.070 5.950 5.801 6.038 . 0 0 "[ . 1 . 2]" 1
477 1 65 THR H 1 68 ASP QB . . 5.000 3.068 2.879 3.201 . 0 0 "[ . 1 . 2]" 1
478 1 65 THR HA 1 68 ASP H . . 5.000 4.724 4.534 4.817 . 0 0 "[ . 1 . 2]" 1
479 1 65 THR HA 1 69 ALA H . . 6.310 5.018 4.962 5.088 . 0 0 "[ . 1 . 2]" 1
480 1 66 VAL H 1 66 VAL HB . . 3.500 2.584 2.553 2.627 . 0 0 "[ . 1 . 2]" 1
481 1 66 VAL H 1 67 GLN HA . . 5.920 5.393 5.352 5.483 . 0 0 "[ . 1 . 2]" 1
482 1 66 VAL H 1 67 GLN QB . . 5.000 4.543 4.480 4.663 . 0 0 "[ . 1 . 2]" 1
483 1 66 VAL HA 1 67 GLN H . . 5.000 3.494 3.467 3.531 . 0 0 "[ . 1 . 2]" 1
484 1 66 VAL HB 1 67 GLN H . . 3.500 2.862 2.668 2.978 . 0 0 "[ . 1 . 2]" 1
485 1 66 VAL HA 1 68 ASP H . . 5.000 4.963 4.737 5.068 0.068 1 0 "[ . 1 . 2]" 1
486 1 66 VAL QG 1 68 ASP H . . 5.000 4.987 4.866 5.038 0.038 1 0 "[ . 1 . 2]" 1
487 1 66 VAL H 1 69 ALA HA . . 7.330 6.878 6.762 7.003 . 0 0 "[ . 1 . 2]" 1
488 1 66 VAL H 1 69 ALA MB . . 5.000 4.188 4.025 4.337 . 0 0 "[ . 1 . 2]" 1
489 1 66 VAL HA 1 69 ALA H . . 5.000 3.619 3.529 3.694 . 0 0 "[ . 1 . 2]" 1
490 1 67 GLN H 1 67 GLN QB . . 3.600 2.165 2.073 2.256 . 0 0 "[ . 1 . 2]" 1
491 1 67 GLN H 1 67 GLN QG . . 5.000 3.839 3.610 4.027 . 0 0 "[ . 1 . 2]" 1
492 1 67 GLN H 1 67 GLN QE . . 5.000 4.774 4.622 4.962 . 0 0 "[ . 1 . 2]" 1
493 1 67 GLN H 1 68 ASP HA . . 5.390 5.337 5.273 5.375 . 0 0 "[ . 1 . 2]" 1
494 1 67 GLN HA 1 68 ASP H . . 5.000 3.569 3.560 3.570 . 0 0 "[ . 1 . 2]" 1
495 1 67 GLN QB 1 68 ASP H . . 5.000 2.218 2.082 2.384 . 0 0 "[ . 1 . 2]" 1
496 1 67 GLN H 1 69 ALA HA . . 6.980 6.469 6.402 6.549 . 0 0 "[ . 1 . 2]" 1
497 1 67 GLN HA 1 69 ALA H . . 5.000 4.269 4.132 4.364 . 0 0 "[ . 1 . 2]" 1
498 1 67 GLN QE 1 70 ILE MG . . 5.000 4.352 2.427 4.990 . 0 0 "[ . 1 . 2]" 1
499 1 67 GLN HA 1 70 ILE H . . 5.000 4.091 3.932 4.179 . 0 0 "[ . 1 . 2]" 1
500 1 67 GLN H 1 71 ASP H . . 6.390 6.096 5.971 6.246 . 0 0 "[ . 1 . 2]" 1
501 1 67 GLN H 1 71 ASP QB . . 6.290 6.158 6.022 6.344 0.054 13 0 "[ . 1 . 2]" 1
502 1 67 GLN QE 1 71 ASP H . . 4.250 3.864 3.399 4.253 0.003 8 0 "[ . 1 . 2]" 1
503 1 68 ASP H 1 69 ALA MB . . 5.000 4.273 4.213 4.358 . 0 0 "[ . 1 . 2]" 1
504 1 68 ASP HA 1 69 ALA H . . 5.000 3.486 3.466 3.505 . 0 0 "[ . 1 . 2]" 1
505 1 68 ASP QB 1 69 ALA H . . 5.000 2.846 2.750 2.930 . 0 0 "[ . 1 . 2]" 1
506 1 68 ASP H 1 70 ILE MG . . 5.920 5.521 4.456 5.912 . 0 0 "[ . 1 . 2]" 1
507 1 68 ASP HA 1 70 ILE H . . 5.000 4.970 4.823 5.029 0.029 11 0 "[ . 1 . 2]" 1
508 1 68 ASP H 1 71 ASP H . . 5.000 4.859 4.768 4.971 . 0 0 "[ . 1 . 2]" 1
509 1 68 ASP HA 1 71 ASP H . . 3.500 3.503 3.428 3.555 0.055 3 0 "[ . 1 . 2]" 1
510 1 69 ALA H 1 69 ALA MB . . 3.500 2.196 2.122 2.232 . 0 0 "[ . 1 . 2]" 1
511 1 69 ALA H 1 70 ILE H . . 3.500 2.952 2.885 3.007 . 0 0 "[ . 1 . 2]" 1
512 1 69 ALA H 1 70 ILE HB . . 6.390 6.260 5.524 6.482 0.092 1 0 "[ . 1 . 2]" 1
513 1 69 ALA H 1 70 ILE MG . . 5.370 4.282 3.696 4.542 . 0 0 "[ . 1 . 2]" 1
514 1 69 ALA HA 1 70 ILE H . . 5.000 3.571 3.570 3.572 . 0 0 "[ . 1 . 2]" 1
515 1 69 ALA MB 1 70 ILE H . . 5.000 2.049 2.001 2.177 . 0 0 "[ . 1 . 2]" 1
516 1 69 ALA H 1 71 ASP H . . 5.000 3.797 3.704 3.920 . 0 0 "[ . 1 . 2]" 1
517 1 69 ALA H 1 71 ASP QB . . 5.000 4.520 4.346 4.677 . 0 0 "[ . 1 . 2]" 1
518 1 69 ALA MB 1 71 ASP H . . 5.000 4.071 3.968 4.183 . 0 0 "[ . 1 . 2]" 1
519 1 69 ALA HA 1 72 TYR H . . 4.160 3.436 3.357 3.499 . 0 0 "[ . 1 . 2]" 1
520 1 69 ALA MB 1 72 TYR H . . 5.000 4.402 4.344 4.471 . 0 0 "[ . 1 . 2]" 1
521 1 70 ILE H 1 70 ILE HB . . 3.500 3.416 2.597 3.614 0.114 3 0 "[ . 1 . 2]" 1
522 1 70 ILE H 1 70 ILE MG . . 3.600 2.009 1.895 2.244 . 0 0 "[ . 1 . 2]" 1
523 1 70 ILE H 1 71 ASP H . . 3.600 2.686 2.632 2.752 . 0 0 "[ . 1 . 2]" 1
524 1 70 ILE HA 1 71 ASP H . . 5.000 3.473 3.413 3.516 . 0 0 "[ . 1 . 2]" 1
525 1 70 ILE MG 1 71 ASP H . . 5.000 3.568 2.031 4.031 . 0 0 "[ . 1 . 2]" 1
526 1 70 ILE HB 1 72 TYR H . . 6.040 5.549 5.388 5.722 . 0 0 "[ . 1 . 2]" 1
527 1 70 ILE MG 1 72 TYR H . . 5.270 5.024 4.108 5.358 0.088 1 0 "[ . 1 . 2]" 1
528 1 70 ILE H 1 73 ILE MG . . 5.000 4.758 4.526 4.854 . 0 0 "[ . 1 . 2]" 1
529 1 70 ILE HA 1 73 ILE H . . 5.000 3.497 3.465 3.531 . 0 0 "[ . 1 . 2]" 1
530 1 70 ILE H 1 74 GLU QG . . 5.770 5.795 5.681 5.853 0.083 13 0 "[ . 1 . 2]" 1
531 1 70 ILE HA 1 74 GLU H . . 4.390 4.183 3.917 4.440 0.050 13 0 "[ . 1 . 2]" 1
532 1 70 ILE MG 1 74 GLU H . . 6.040 5.652 5.245 5.854 . 0 0 "[ . 1 . 2]" 1
533 1 71 ASP H 1 71 ASP QB . . 3.600 2.213 2.091 2.294 . 0 0 "[ . 1 . 2]" 1
534 1 71 ASP H 1 72 TYR H . . 3.600 2.398 2.325 2.460 . 0 0 "[ . 1 . 2]" 1
535 1 71 ASP H 1 72 TYR HA . . 5.000 5.037 4.998 5.087 0.087 2 0 "[ . 1 . 2]" 1
536 1 71 ASP H 1 72 TYR QB . . 5.000 4.079 4.037 4.136 . 0 0 "[ . 1 . 2]" 1
537 1 71 ASP HA 1 72 TYR H . . 3.500 3.454 3.426 3.487 . 0 0 "[ . 1 . 2]" 1
538 1 71 ASP QB 1 72 TYR H . . 3.500 2.961 2.806 3.078 . 0 0 "[ . 1 . 2]" 1
539 1 71 ASP H 1 73 ILE MG . . 5.000 4.976 4.715 5.078 0.078 13 0 "[ . 1 . 2]" 1
540 1 71 ASP H 1 73 ILE QG . . 5.000 4.303 3.952 4.512 . 0 0 "[ . 1 . 2]" 1
541 1 71 ASP HA 1 73 ILE H . . 5.000 4.198 3.960 4.500 . 0 0 "[ . 1 . 2]" 1
542 1 71 ASP HA 1 74 GLU H . . 5.000 3.386 3.252 3.551 . 0 0 "[ . 1 . 2]" 1
543 1 72 TYR H 1 72 TYR QB . . 3.600 2.091 2.078 2.141 . 0 0 "[ . 1 . 2]" 1
544 1 72 TYR H 1 72 TYR QD . . 3.500 3.438 3.090 3.554 0.054 14 0 "[ . 1 . 2]" 1
545 1 72 TYR H 1 72 TYR QE . . 5.540 5.538 5.175 5.634 0.094 8 0 "[ . 1 . 2]" 1
546 1 72 TYR H 1 73 ILE H . . 3.500 2.416 2.326 2.464 . 0 0 "[ . 1 . 2]" 1
547 1 72 TYR H 1 73 ILE HB . . 6.030 6.041 5.937 6.077 0.047 2 0 "[ . 1 . 2]" 1
548 1 72 TYR QB 1 73 ILE H . . 3.890 3.177 3.013 3.434 . 0 0 "[ . 1 . 2]" 1
549 1 72 TYR QD 1 73 ILE H . . 3.600 3.162 2.990 3.365 . 0 0 "[ . 1 . 2]" 1
550 1 72 TYR H 1 74 GLU H . . 5.000 3.817 3.738 3.963 . 0 0 "[ . 1 . 2]" 1
551 1 72 TYR QB 1 74 GLU H . . 5.610 4.930 4.846 5.184 . 0 0 "[ . 1 . 2]" 1
552 1 72 TYR H 1 75 LYS QG . . 6.240 4.678 4.167 6.409 0.169 12 0 "[ . 1 . 2]" 1
553 1 72 TYR QB 1 76 ASN H . . 5.310 5.335 5.250 5.394 0.084 5 0 "[ . 1 . 2]" 1
554 1 72 TYR HA 1 76 ASN QD . . 5.680 4.632 3.566 5.610 . 0 0 "[ . 1 . 2]" 1
555 1 73 ILE H 1 73 ILE HB . . 3.910 3.659 3.631 3.695 . 0 0 "[ . 1 . 2]" 1
556 1 73 ILE H 1 73 ILE QG . . 5.000 2.131 1.915 2.242 . 0 0 "[ . 1 . 2]" 1
557 1 73 ILE H 1 73 ILE MG . . 3.600 2.213 2.048 2.498 . 0 0 "[ . 1 . 2]" 1
558 1 73 ILE H 1 74 GLU H . . 3.500 2.319 2.186 2.478 . 0 0 "[ . 1 . 2]" 1
559 1 73 ILE HA 1 74 GLU H . . 5.000 3.483 3.436 3.515 . 0 0 "[ . 1 . 2]" 1
560 1 73 ILE HB 1 74 GLU H . . 5.000 3.982 3.801 4.153 . 0 0 "[ . 1 . 2]" 1
561 1 73 ILE QG 1 74 GLU H . . 3.600 2.106 1.940 2.319 . 0 0 "[ . 1 . 2]" 1
562 1 73 ILE MG 1 74 GLU H . . 3.880 3.850 3.774 3.921 0.041 3 0 "[ . 1 . 2]" 1
563 1 73 ILE H 1 75 LYS H . . 5.000 3.804 3.676 3.971 . 0 0 "[ . 1 . 2]" 1
564 1 73 ILE MG 1 75 LYS H . . 5.420 5.264 5.158 5.389 . 0 0 "[ . 1 . 2]" 1
565 1 73 ILE HA 1 76 ASN H . . 5.000 3.610 3.475 3.759 . 0 0 "[ . 1 . 2]" 1
566 1 73 ILE MG 1 76 ASN H . . 5.360 5.298 5.217 5.438 0.078 16 0 "[ . 1 . 2]" 1
567 1 73 ILE MG 1 77 ASN H . . 5.000 4.859 4.444 5.041 0.041 20 0 "[ . 1 . 2]" 1
568 1 73 ILE MG 1 77 ASN QD . . 5.000 4.513 2.966 5.022 0.022 19 0 "[ . 1 . 2]" 1
569 1 74 GLU H 1 74 GLU QG . . 5.000 2.633 2.024 2.858 . 0 0 "[ . 1 . 2]" 1
570 1 74 GLU H 1 74 GLU QB . . 3.500 2.338 2.241 2.606 . 0 0 "[ . 1 . 2]" 1
571 1 74 GLU H 1 75 LYS H . . 3.600 2.359 2.215 2.485 . 0 0 "[ . 1 . 2]" 1
572 1 74 GLU H 1 76 ASN H . . 5.000 3.927 3.824 4.186 . 0 0 "[ . 1 . 2]" 1
573 1 74 GLU QB 1 76 ASN H . . 5.000 4.808 4.681 5.072 0.072 11 0 "[ . 1 . 2]" 1
574 1 75 LYS H 1 75 LYS QB . . 3.500 2.416 2.202 2.520 . 0 0 "[ . 1 . 2]" 1
575 1 75 LYS H 1 76 ASN QD . . 5.700 5.614 5.073 5.735 0.035 8 0 "[ . 1 . 2]" 1
576 1 75 LYS HA 1 76 ASN H . . 5.000 3.517 3.496 3.548 . 0 0 "[ . 1 . 2]" 1
577 1 75 LYS QB 1 76 ASN H . . 5.000 3.343 2.577 3.515 . 0 0 "[ . 1 . 2]" 1
578 1 75 LYS QG 1 76 ASN H . . 5.000 2.308 1.944 3.899 . 0 0 "[ . 1 . 2]" 1
579 1 75 LYS QD 1 76 ASN H . . 3.890 3.491 2.706 4.013 0.123 11 0 "[ . 1 . 2]" 1
580 1 75 LYS H 1 77 ASN H . . 5.000 4.555 4.236 4.819 . 0 0 "[ . 1 . 2]" 1
581 1 75 LYS HA 1 77 ASN H . . 5.800 5.652 5.369 5.876 0.076 5 0 "[ . 1 . 2]" 1
582 1 76 ASN H 1 76 ASN QB . . 3.500 2.308 2.157 2.560 . 0 0 "[ . 1 . 2]" 1
583 1 76 ASN H 1 76 ASN QD . . 5.000 3.874 3.488 4.012 . 0 0 "[ . 1 . 2]" 1
584 1 76 ASN H 1 77 ASN H . . 3.500 2.734 2.506 2.911 . 0 0 "[ . 1 . 2]" 1
585 1 76 ASN QB 1 77 ASN H . . 4.070 2.075 1.892 2.308 . 0 0 "[ . 1 . 2]" 1
586 1 77 ASN H 1 77 ASN QD . . 3.600 3.005 1.928 3.694 0.094 8 0 "[ . 1 . 2]" 1
587 1 77 ASN H 1 78 LYS HA . . 5.500 5.161 4.796 5.640 0.140 4 0 "[ . 1 . 2]" 1
588 1 77 ASN H 1 78 LYS QB . . 5.680 5.342 4.681 5.718 0.038 5 0 "[ . 1 . 2]" 1
589 1 77 ASN H 1 78 LYS QG . . 5.460 4.876 4.226 5.473 0.013 5 0 "[ . 1 . 2]" 1
590 1 77 ASN HA 1 78 LYS H . . 3.500 2.730 2.140 3.565 0.065 5 0 "[ . 1 . 2]" 1
591 1 77 ASN QD 1 78 LYS H . . 5.000 4.443 3.153 5.018 0.018 12 0 "[ . 1 . 2]" 1
592 1 77 ASN QB 1 78 LYS H . . 5.000 3.241 1.908 3.909 . 0 0 "[ . 1 . 2]" 1
593 1 77 ASN HA 1 79 GLN H . . 5.000 4.318 3.512 5.146 0.146 6 0 "[ . 1 . 2]" 1
594 1 77 ASN QB 1 79 GLN H . . 5.000 3.471 2.518 4.628 . 0 0 "[ . 1 . 2]" 1
595 1 78 LYS H 1 78 LYS QB . . 3.500 2.891 2.113 3.421 . 0 0 "[ . 1 . 2]" 1
596 1 78 LYS H 1 78 LYS QG . . 3.500 2.629 2.081 3.506 0.006 18 0 "[ . 1 . 2]" 1
597 1 78 LYS H 1 79 GLN HA . . 5.490 4.779 3.938 5.478 . 0 0 "[ . 1 . 2]" 1
598 1 78 LYS HA 1 79 GLN H . . 3.500 2.779 2.249 3.538 0.038 4 0 "[ . 1 . 2]" 1
599 1 78 LYS QB 1 79 GLN H . . 5.000 3.892 3.309 4.049 . 0 0 "[ . 1 . 2]" 1
600 1 78 LYS QG 1 79 GLN H . . 5.000 3.879 1.974 4.541 . 0 0 "[ . 1 . 2]" 1
601 1 79 GLN H 1 79 GLN QE . . 3.600 3.213 2.335 3.609 0.009 8 0 "[ . 1 . 2]" 1
602 1 79 GLN H 1 79 GLN QG . . 3.500 2.521 1.951 3.373 . 0 0 "[ . 1 . 2]" 1
603 1 2 LYS HA 1 2 LYS QD . . 5.000 3.464 2.026 4.351 . 0 0 "[ . 1 . 2]" 1
604 1 3 SER HA 1 6 ASP QB . . 5.000 4.267 3.479 5.023 0.023 2 0 "[ . 1 . 2]" 1
605 1 3 SER QB 1 6 ASP QB . . 5.000 4.871 4.399 5.085 0.085 16 0 "[ . 1 . 2]" 1
606 1 4 THR H 1 4 THR HB . . 3.500 2.502 2.375 2.602 . 0 0 "[ . 1 . 2]" 1
607 1 4 THR HB 1 7 ASP HA . . 8.360 8.331 8.187 8.380 0.020 15 0 "[ . 1 . 2]" 1
608 1 4 THR HB 1 7 ASP QB . . 5.390 5.459 5.434 5.509 0.119 5 0 "[ . 1 . 2]" 1
609 1 4 THR HB 1 8 ILE MD . . 8.000 3.700 3.562 3.929 . 0 0 "[ . 1 . 2]" 1
610 1 4 THR HB 1 70 ILE MG . . 5.000 3.321 2.748 4.678 . 0 0 "[ . 1 . 2]" 1
611 1 5 PHE HA 1 5 PHE QD . . 3.600 2.084 1.924 2.238 . 0 0 "[ . 1 . 2]" 1
612 1 5 PHE HA 1 5 PHE QE . . 5.000 4.254 4.168 4.410 . 0 0 "[ . 1 . 2]" 1
613 1 5 PHE HA 1 8 ILE HB . . 5.000 2.123 2.005 2.265 . 0 0 "[ . 1 . 2]" 1
614 1 5 PHE HA 1 8 ILE MG . . 5.000 3.121 2.869 3.301 . 0 0 "[ . 1 . 2]" 1
615 1 5 PHE QD 1 8 ILE MG . . 3.600 2.796 2.453 3.000 . 0 0 "[ . 1 . 2]" 1
616 1 5 PHE QE 1 8 ILE QG . . 6.130 6.191 6.028 6.276 0.146 19 0 "[ . 1 . 2]" 1
617 1 5 PHE QE 1 15 GLN HA . . 13.240 13.266 13.075 13.358 0.118 10 0 "[ . 1 . 2]" 1
618 1 5 PHE HA 1 63 ILE MG . . 7.330 5.616 5.404 5.801 . 0 0 "[ . 1 . 2]" 1
619 1 5 PHE QB 1 63 ILE MG . . 8.000 6.620 6.283 6.863 . 0 0 "[ . 1 . 2]" 1
620 1 5 PHE QD 1 63 ILE MG . . 7.310 6.258 5.833 6.595 . 0 0 "[ . 1 . 2]" 1
621 1 5 PHE QD 1 70 ILE MG . . 6.400 5.731 4.930 6.441 0.041 20 0 "[ . 1 . 2]" 1
622 1 6 ASP HA 1 8 ILE H . . 4.830 4.188 4.111 4.338 . 0 0 "[ . 1 . 2]" 1
623 1 6 ASP HA 1 8 ILE MG . . 5.710 5.768 5.533 5.855 0.145 14 0 "[ . 1 . 2]" 1
624 1 6 ASP QB 1 8 ILE MG . . 6.320 6.267 6.164 6.358 0.038 6 0 "[ . 1 . 2]" 1
625 1 6 ASP HA 1 9 LYS QG . . 5.000 3.365 3.215 3.425 . 0 0 "[ . 1 . 2]" 1
626 1 7 ASP QB 1 8 ILE MG . . 5.250 5.289 5.241 5.360 0.110 5 0 "[ . 1 . 2]" 1
627 1 7 ASP HA 1 10 LYS QB . . 5.000 2.903 2.495 3.247 . 0 0 "[ . 1 . 2]" 1
628 1 7 ASP HA 1 10 LYS QD . . 5.000 2.993 1.982 4.429 . 0 0 "[ . 1 . 2]" 1
629 1 8 ILE HB 1 8 ILE MD . . 3.500 2.326 2.213 2.390 . 0 0 "[ . 1 . 2]" 1
630 1 8 ILE HB 1 9 LYS QD . . 6.640 5.448 5.139 5.737 . 0 0 "[ . 1 . 2]" 1
631 1 8 ILE MG 1 9 LYS HA . . 5.000 3.107 2.974 3.244 . 0 0 "[ . 1 . 2]" 1
632 1 8 ILE MG 1 9 LYS QB . . 5.000 3.667 3.403 3.886 . 0 0 "[ . 1 . 2]" 1
633 1 8 ILE QG 1 10 LYS QD . . 6.960 6.863 6.353 7.095 0.135 14 0 "[ . 1 . 2]" 1
634 1 8 ILE HA 1 11 ILE HB . . 5.000 4.742 4.676 4.795 . 0 0 "[ . 1 . 2]" 1
635 1 8 ILE HA 1 11 ILE MG . . 3.600 3.485 3.274 3.575 . 0 0 "[ . 1 . 2]" 1
636 1 8 ILE HA 1 11 ILE MD . . 5.000 1.995 1.922 2.061 . 0 0 "[ . 1 . 2]" 1
637 1 8 ILE MG 1 12 ILE HA . . 6.580 5.348 5.140 5.514 . 0 0 "[ . 1 . 2]" 1
638 1 8 ILE MD 1 62 LYS HA . . 8.220 8.100 7.927 8.250 0.030 18 0 "[ . 1 . 2]" 1
639 1 8 ILE MD 1 62 LYS H . . 7.670 7.575 7.397 7.742 0.072 1 0 "[ . 1 . 2]" 1
640 1 8 ILE MD 1 62 LYS QB . . 6.650 6.550 6.330 6.768 0.118 14 0 "[ . 1 . 2]" 1
641 1 8 ILE MG 1 73 ILE MG . . 6.490 6.184 6.054 6.425 . 0 0 "[ . 1 . 2]" 1
642 1 8 ILE MG 1 69 ALA MB . . 5.510 4.704 4.301 4.916 . 0 0 "[ . 1 . 2]" 1
643 1 8 ILE MD 1 69 ALA MB . . 5.000 2.351 1.953 2.543 . 0 0 "[ . 1 . 2]" 1
644 1 8 ILE MD 1 70 ILE HA . . 5.420 5.064 4.745 5.423 0.003 6 0 "[ . 1 . 2]" 1
645 1 8 ILE MD 1 70 ILE H . . 5.440 4.818 4.381 5.095 . 0 0 "[ . 1 . 2]" 1
646 1 8 ILE MD 1 73 ILE MG . . 5.000 3.958 3.656 4.290 . 0 0 "[ . 1 . 2]" 1
647 1 9 LYS QB 1 10 LYS H . . 3.500 3.534 3.486 3.585 0.085 10 0 "[ . 1 . 2]" 1
648 1 9 LYS QB 1 11 ILE MD . . 5.960 6.085 6.043 6.158 0.198 15 0 "[ . 1 . 2]" 1
649 1 9 LYS QG 1 11 ILE HA . . 7.240 6.673 6.573 6.742 . 0 0 "[ . 1 . 2]" 1
650 1 9 LYS QG 1 11 ILE MG . . 5.860 5.845 5.694 5.942 0.082 19 0 "[ . 1 . 2]" 1
651 1 9 LYS QG 1 11 ILE MD . . 6.550 6.261 6.214 6.312 . 0 0 "[ . 1 . 2]" 1
652 1 9 LYS HA 1 12 ILE HB . . 5.350 4.669 4.328 4.739 . 0 0 "[ . 1 . 2]" 1
653 1 9 LYS HA 1 12 ILE MG . . 5.000 3.334 1.973 3.647 . 0 0 "[ . 1 . 2]" 1
654 1 10 LYS QB 1 10 LYS QD . . 3.500 2.237 2.097 2.768 . 0 0 "[ . 1 . 2]" 1
655 1 10 LYS QB 1 11 ILE QG . . 5.940 4.310 3.864 4.805 . 0 0 "[ . 1 . 2]" 1
656 1 10 LYS QG 1 11 ILE QG . . 5.320 3.875 3.241 4.609 . 0 0 "[ . 1 . 2]" 1
657 1 10 LYS QG 1 11 ILE MD . . 5.380 4.741 4.057 5.460 0.080 17 0 "[ . 1 . 2]" 1
658 1 10 LYS QB 1 13 SER HA . . 7.340 6.869 6.629 7.106 . 0 0 "[ . 1 . 2]" 1
659 1 11 ILE HA 1 11 ILE MG . . 3.500 2.272 2.205 2.350 . 0 0 "[ . 1 . 2]" 1
660 1 11 ILE HB 1 12 ILE HA . . 5.000 4.358 4.321 4.441 . 0 0 "[ . 1 . 2]" 1
661 1 11 ILE HB 1 12 ILE MG . . 5.000 3.896 3.733 5.009 0.009 7 0 "[ . 1 . 2]" 1
662 1 11 ILE MG 1 12 ILE H . . 5.000 3.963 3.941 3.984 . 0 0 "[ . 1 . 2]" 1
663 1 11 ILE MD 1 12 ILE H . . 5.000 3.730 3.669 3.786 . 0 0 "[ . 1 . 2]" 1
664 1 11 ILE H 1 13 SER HA . . 6.860 6.724 6.627 6.818 . 0 0 "[ . 1 . 2]" 1
665 1 11 ILE HA 1 14 LYS QB . . 4.620 3.399 2.758 4.459 . 0 0 "[ . 1 . 2]" 1
666 1 11 ILE H 1 15 GLN HA . . 8.280 8.216 8.069 8.395 0.115 15 0 "[ . 1 . 2]" 1
667 1 11 ILE QG 1 16 LEU MD1 . . 5.000 4.942 4.531 5.057 0.057 20 0 "[ . 1 . 2]" 1
668 1 11 ILE MG 1 29 PHE QB . . 8.930 8.691 8.181 8.887 . 0 0 "[ . 1 . 2]" 1
669 1 11 ILE MD 1 29 PHE HA . . 8.630 8.092 7.459 8.478 . 0 0 "[ . 1 . 2]" 1
670 1 11 ILE MD 1 29 PHE QB . . 6.340 6.248 5.810 6.400 0.060 13 0 "[ . 1 . 2]" 1
671 1 11 ILE HA 1 46 ALA MB . . 5.320 3.445 3.209 3.679 . 0 0 "[ . 1 . 2]" 1
672 1 11 ILE QG 1 46 ALA MB . . 6.380 4.503 4.310 4.683 . 0 0 "[ . 1 . 2]" 1
673 1 11 ILE MG 1 47 LEU HA . . 5.000 2.542 2.384 2.627 . 0 0 "[ . 1 . 2]" 1
674 1 11 ILE MG 1 50 LYS H . . 5.990 5.228 5.054 5.385 . 0 0 "[ . 1 . 2]" 1
675 1 12 ILE HA 1 12 ILE MG . . 3.600 2.408 2.298 3.181 . 0 0 "[ . 1 . 2]" 1
676 1 12 ILE HA 1 15 GLN QB . . 3.850 2.339 1.964 2.829 . 0 0 "[ . 1 . 2]" 1
677 1 12 ILE MG 1 15 GLN QG . . 5.930 4.765 4.201 5.807 . 0 0 "[ . 1 . 2]" 1
678 1 12 ILE HA 1 16 LEU MD1 . . 3.600 2.521 2.134 3.184 . 0 0 "[ . 1 . 2]" 1
679 1 12 ILE MG 1 29 PHE QE . . 5.000 3.103 2.477 3.914 . 0 0 "[ . 1 . 2]" 1
680 1 12 ILE MG 1 29 PHE QD . . 5.000 4.116 3.664 5.179 0.179 7 0 "[ . 1 . 2]" 1
681 1 12 ILE MD 1 29 PHE QD . . 6.510 5.959 3.643 6.611 0.101 1 0 "[ . 1 . 2]" 1
682 1 12 ILE HA 1 43 LEU MD1 . . 5.000 3.858 3.659 4.096 . 0 0 "[ . 1 . 2]" 1
683 1 12 ILE HA 1 43 LEU MD2 . . 5.000 2.745 2.424 3.192 . 0 0 "[ . 1 . 2]" 1
684 1 12 ILE MG 1 43 LEU HA . . 6.010 4.796 4.538 6.007 . 0 0 "[ . 1 . 2]" 1
685 1 12 ILE MG 1 43 LEU MD1 . . 5.000 2.081 1.889 3.765 . 0 0 "[ . 1 . 2]" 1
686 1 12 ILE MG 1 43 LEU MD2 . . 5.000 2.284 1.907 3.786 . 0 0 "[ . 1 . 2]" 1
687 1 12 ILE MD 1 43 LEU MD1 . . 5.500 4.665 3.401 5.368 . 0 0 "[ . 1 . 2]" 1
688 1 13 SER HA 1 18 VAL MG1 . . 6.100 3.815 2.735 5.749 . 0 0 "[ . 1 . 2]" 1
689 1 13 SER HA 1 18 VAL MG2 . . 5.000 4.702 3.979 5.018 0.018 3 0 "[ . 1 . 2]" 1
690 1 14 LYS QD 1 15 GLN QB . . 4.140 3.675 2.911 4.138 . 0 0 "[ . 1 . 2]" 1
691 1 15 GLN HA 1 16 LEU H . . 5.000 3.559 3.456 3.571 . 0 0 "[ . 1 . 2]" 1
692 1 15 GLN QB 1 16 LEU HG . . 5.000 3.404 2.523 4.475 . 0 0 "[ . 1 . 2]" 1
693 1 15 GLN HA 1 17 SER H . . 6.190 5.517 3.854 6.068 . 0 0 "[ . 1 . 2]" 1
694 1 15 GLN QG 1 43 LEU HG . . 5.000 4.048 3.705 4.617 . 0 0 "[ . 1 . 2]" 1
695 1 15 GLN QG 1 43 LEU MD1 . . 5.000 4.640 4.310 5.026 0.026 16 0 "[ . 1 . 2]" 1
696 1 15 GLN QG 1 43 LEU QB . . 5.000 2.429 1.950 2.787 . 0 0 "[ . 1 . 2]" 1
697 1 16 LEU MD1 1 29 PHE QD . . 6.890 5.815 4.086 6.468 . 0 0 "[ . 1 . 2]" 1
698 1 16 LEU MD2 1 29 PHE QD . . 7.250 6.800 5.746 7.279 0.029 1 0 "[ . 1 . 2]" 1
699 1 16 LEU MD1 1 43 LEU MD1 . . 5.000 4.200 3.523 4.443 . 0 0 "[ . 1 . 2]" 1
700 1 16 LEU MD1 1 43 LEU MD2 . . 5.000 2.302 1.832 2.752 . 0 0 "[ . 1 . 2]" 1
701 1 16 LEU MD2 1 43 LEU MD2 . . 5.000 3.607 2.908 3.952 . 0 0 "[ . 1 . 2]" 1
702 1 18 VAL HA 1 19 GLU HA . . 5.000 4.398 4.349 4.506 . 0 0 "[ . 1 . 2]" 1
703 1 18 VAL HA 1 19 GLU QB . . 5.000 4.572 4.214 4.915 . 0 0 "[ . 1 . 2]" 1
704 1 18 VAL HA 1 19 GLU QG . . 5.000 4.035 3.285 4.581 . 0 0 "[ . 1 . 2]" 1
705 1 18 VAL QG 1 19 GLU QG . . 5.000 4.209 3.236 5.029 0.029 16 0 "[ . 1 . 2]" 1
706 1 18 VAL QG 1 21 ASP QB . . 6.360 5.242 3.850 6.378 0.018 5 0 "[ . 1 . 2]" 1
707 1 18 VAL HA 1 22 LYS QD . . 6.520 6.421 6.014 6.658 0.138 5 0 "[ . 1 . 2]" 1
708 1 19 GLU HA 1 20 GLU HA . . 5.000 4.658 4.384 4.836 . 0 0 "[ . 1 . 2]" 1
709 1 19 GLU QG 1 20 GLU HA . . 5.730 4.570 3.793 5.936 0.206 19 0 "[ . 1 . 2]" 1
710 1 19 GLU QB 1 21 ASP QB . . 5.420 4.939 2.471 5.559 0.139 15 0 "[ . 1 . 2]" 1
711 1 19 GLU QG 1 21 ASP H . . 5.000 4.834 3.617 5.185 0.185 11 0 "[ . 1 . 2]" 1
712 1 19 GLU QB 1 22 LYS QG . . 3.500 2.550 2.005 3.305 . 0 0 "[ . 1 . 2]" 1
713 1 19 GLU QG 1 22 LYS QD . . 3.600 3.187 1.942 3.721 0.121 4 0 "[ . 1 . 2]" 1
714 1 19 GLU QG 1 23 ILE QG . . 5.770 4.193 1.901 5.790 0.020 11 0 "[ . 1 . 2]" 1
715 1 20 GLU H 1 20 GLU QG . . 3.500 2.238 1.917 3.297 . 0 0 "[ . 1 . 2]" 1
716 1 20 GLU HA 1 22 LYS QG . . 5.020 4.448 4.214 4.885 . 0 0 "[ . 1 . 2]" 1
717 1 20 GLU QB 1 22 LYS QG . . 5.490 5.421 5.189 5.681 0.191 8 0 "[ . 1 . 2]" 1
718 1 20 GLU QG 1 22 LYS QG . . 5.570 5.225 4.730 5.655 0.085 7 0 "[ . 1 . 2]" 1
719 1 20 GLU H 1 23 ILE HB . . 5.560 4.918 4.158 5.576 0.016 16 0 "[ . 1 . 2]" 1
720 1 20 GLU HA 1 23 ILE H . . 3.500 3.339 2.657 3.629 0.129 18 0 "[ . 1 . 2]" 1
721 1 20 GLU HA 1 23 ILE MG . . 3.600 2.443 1.891 3.715 0.115 4 0 "[ . 1 . 2]" 1
722 1 20 GLU HA 1 23 ILE MD . . 5.730 5.053 4.016 5.537 . 0 0 "[ . 1 . 2]" 1
723 1 21 ASP HA 1 22 LYS H . . 5.000 2.958 2.679 3.402 . 0 0 "[ . 1 . 2]" 1
724 1 21 ASP QB 1 22 LYS HA . . 5.000 4.608 4.123 4.997 . 0 0 "[ . 1 . 2]" 1
725 1 21 ASP H 1 23 ILE HB . . 5.810 5.134 4.664 5.801 . 0 0 "[ . 1 . 2]" 1
726 1 22 LYS HA 1 22 LYS QD . . 5.000 4.111 3.486 4.554 . 0 0 "[ . 1 . 2]" 1
727 1 22 LYS HA 1 23 ILE MG . . 6.080 5.243 4.600 6.014 . 0 0 "[ . 1 . 2]" 1
728 1 22 LYS QD 1 23 ILE MG . . 5.000 4.728 3.429 5.121 0.121 6 0 "[ . 1 . 2]" 1
729 1 23 ILE MD 1 23 ILE MG . . 3.500 2.265 1.887 3.254 . 0 0 "[ . 1 . 2]" 1
730 1 23 ILE MG 1 24 GLN QG . . 5.000 3.804 2.739 4.551 . 0 0 "[ . 1 . 2]" 1
731 1 25 MET QB 1 26 ASN HA . . 5.000 4.806 4.259 4.956 . 0 0 "[ . 1 . 2]" 1
732 1 25 MET HA 1 66 VAL HB . . 7.020 7.066 7.032 7.096 0.076 19 0 "[ . 1 . 2]" 1
733 1 25 MET HA 1 66 VAL QG . . 5.000 4.639 4.394 4.839 . 0 0 "[ . 1 . 2]" 1
734 1 27 SER HA 1 28 ASN H . . 5.000 3.552 3.540 3.563 . 0 0 "[ . 1 . 2]" 1
735 1 28 ASN QB 1 29 PHE HA . . 5.000 4.277 4.142 4.338 . 0 0 "[ . 1 . 2]" 1
736 1 28 ASN HA 1 30 THR MG . . 5.750 5.545 5.191 5.810 0.060 5 0 "[ . 1 . 2]" 1
737 1 28 ASN QB 1 31 LYS QG . . 5.000 1.882 1.857 1.921 . 0 0 "[ . 1 . 2]" 1
738 1 28 ASN QB 1 31 LYS QB . . 5.000 2.120 1.931 2.192 . 0 0 "[ . 1 . 2]" 1
739 1 28 ASN QD 1 64 ASN QB . . 5.000 4.247 3.321 5.051 0.051 17 0 "[ . 1 . 2]" 1
740 1 28 ASN QB 1 65 THR MG . . 5.000 4.305 4.013 4.709 . 0 0 "[ . 1 . 2]" 1
741 1 29 PHE HA 1 29 PHE QD . . 3.500 2.839 2.697 2.998 . 0 0 "[ . 1 . 2]" 1
742 1 29 PHE HA 1 31 LYS QB . . 6.630 6.395 6.244 6.471 . 0 0 "[ . 1 . 2]" 1
743 1 29 PHE H 1 32 ASP QB . . 5.990 4.418 4.339 4.545 . 0 0 "[ . 1 . 2]" 1
744 1 29 PHE HA 1 33 LEU QB . . 5.330 5.252 4.822 5.394 0.064 2 0 "[ . 1 . 2]" 1
745 1 29 PHE QB 1 33 LEU MD1 . . 5.000 4.550 3.993 5.117 0.117 12 0 "[ . 1 . 2]" 1
746 1 29 PHE QD 1 33 LEU MD1 . . 5.000 4.800 4.135 5.090 0.090 12 0 "[ . 1 . 2]" 1
747 1 29 PHE HA 1 33 LEU MD1 . . 5.000 4.050 3.322 4.622 . 0 0 "[ . 1 . 2]" 1
748 1 29 PHE QB 1 35 ALA MB . . 5.200 5.077 4.471 5.312 0.112 19 0 "[ . 1 . 2]" 1
749 1 29 PHE HA 1 35 ALA MB . . 5.770 5.540 4.973 5.775 0.005 15 0 "[ . 1 . 2]" 1
750 1 29 PHE QD 1 43 LEU QB . . 5.910 5.691 4.929 5.974 0.064 5 0 "[ . 1 . 2]" 1
751 1 29 PHE QD 1 43 LEU MD1 . . 5.000 2.897 2.074 3.502 . 0 0 "[ . 1 . 2]" 1
752 1 29 PHE QD 1 43 LEU MD2 . . 5.000 3.459 2.763 3.822 . 0 0 "[ . 1 . 2]" 1
753 1 29 PHE QD 1 64 ASN HA . . 5.000 2.126 1.974 2.304 . 0 0 "[ . 1 . 2]" 1
754 1 29 PHE QD 1 66 VAL HA . . 5.480 5.500 5.411 5.567 0.087 7 0 "[ . 1 . 2]" 1
755 1 29 PHE QE 1 66 VAL HA . . 5.000 3.859 3.578 4.174 . 0 0 "[ . 1 . 2]" 1
756 1 29 PHE QD 1 69 ALA MB . . 5.000 4.653 4.581 4.784 . 0 0 "[ . 1 . 2]" 1
757 1 29 PHE QE 1 69 ALA MB . . 5.000 3.488 3.330 3.622 . 0 0 "[ . 1 . 2]" 1
758 1 30 THR HB 1 31 LYS QG . . 5.000 4.597 4.423 4.750 . 0 0 "[ . 1 . 2]" 1
759 1 30 THR HB 1 35 ALA MB . . 5.600 4.134 3.087 5.281 . 0 0 "[ . 1 . 2]" 1
760 1 31 LYS HA 1 32 ASP QB . . 5.290 5.093 5.047 5.195 . 0 0 "[ . 1 . 2]" 1
761 1 31 LYS QG 1 32 ASP QB . . 5.200 4.607 4.490 4.833 . 0 0 "[ . 1 . 2]" 1
762 1 32 ASP QB 1 33 LEU MD1 . . 5.000 4.717 2.980 5.004 0.004 10 0 "[ . 1 . 2]" 1
763 1 33 LEU MD1 1 34 GLY QA . . 5.000 3.953 2.959 5.232 0.232 12 0 "[ . 1 . 2]" 1
764 1 33 LEU QB 1 35 ALA MB . . 5.000 3.858 3.230 4.402 . 0 0 "[ . 1 . 2]" 1
765 1 33 LEU MD1 1 35 ALA MB . . 3.500 1.908 1.707 2.587 . 0 0 "[ . 1 . 2]" 1
766 1 33 LEU HG 1 35 ALA MB . . 5.000 3.529 2.604 4.003 . 0 0 "[ . 1 . 2]" 1
767 1 33 LEU MD1 1 35 ALA HA . . 4.380 3.275 2.777 4.278 . 0 0 "[ . 1 . 2]" 1
768 1 34 GLY QA 1 35 ALA H . . 5.000 2.568 2.410 2.740 . 0 0 "[ . 1 . 2]" 1
769 1 35 ALA MB 1 36 ASP QB . . 5.000 3.175 2.987 3.953 . 0 0 "[ . 1 . 2]" 1
770 1 35 ALA MB 1 43 LEU MD1 . . 7.100 5.911 5.625 6.425 . 0 0 "[ . 1 . 2]" 1
771 1 35 ALA MB 1 43 LEU MD2 . . 6.060 4.379 4.078 4.949 . 0 0 "[ . 1 . 2]" 1
772 1 37 SER HA 1 40 LEU QB . . 5.000 3.045 2.527 3.375 . 0 0 "[ . 1 . 2]" 1
773 1 38 LEU H 1 38 LEU QB . . 3.500 2.666 2.600 2.693 . 0 0 "[ . 1 . 2]" 1
774 1 38 LEU H 1 39 ASP HA . . 5.910 5.242 5.160 5.407 . 0 0 "[ . 1 . 2]" 1
775 1 38 LEU MD1 1 39 ASP QB . . 5.000 4.596 4.172 4.913 . 0 0 "[ . 1 . 2]" 1
776 1 40 LEU HA 1 43 LEU QD . . 5.000 1.913 1.896 1.959 . 0 0 "[ . 1 . 2]" 1
777 1 40 LEU QB 1 44 ILE HB . . 7.640 5.309 4.846 5.798 . 0 0 "[ . 1 . 2]" 1
778 1 42 GLU HA 1 45 MET QB . . 3.600 2.947 2.805 3.084 . 0 0 "[ . 1 . 2]" 1
779 1 43 LEU HA 1 46 ALA MB . . 5.000 2.911 2.795 3.010 . 0 0 "[ . 1 . 2]" 1
780 1 43 LEU MD1 1 46 ALA MB . . 5.460 4.924 4.825 5.034 . 0 0 "[ . 1 . 2]" 1
781 1 43 LEU MD2 1 46 ALA MB . . 6.450 5.771 5.681 5.875 . 0 0 "[ . 1 . 2]" 1
782 1 43 LEU MD2 1 47 LEU MD1 . . 6.990 5.990 5.734 6.365 . 0 0 "[ . 1 . 2]" 1
783 1 43 LEU MD1 1 72 TYR QE . . 6.720 6.663 6.569 6.808 0.088 16 0 "[ . 1 . 2]" 1
784 1 44 ILE H 1 44 ILE MD . . 5.000 3.570 3.418 3.759 . 0 0 "[ . 1 . 2]" 1
785 1 44 ILE HA 1 46 ALA MB . . 4.580 4.669 4.621 4.745 0.165 14 0 "[ . 1 . 2]" 1
786 1 44 ILE HA 1 47 LEU QB . . 5.000 2.505 2.198 2.625 . 0 0 "[ . 1 . 2]" 1
787 1 44 ILE HA 1 47 LEU HG . . 4.830 4.869 4.835 4.944 0.114 16 0 "[ . 1 . 2]" 1
788 1 44 ILE HA 1 47 LEU MD1 . . 3.500 3.367 3.184 3.522 0.022 5 0 "[ . 1 . 2]" 1
789 1 44 ILE HB 1 47 LEU HA . . 8.430 7.855 7.714 7.943 . 0 0 "[ . 1 . 2]" 1
790 1 44 ILE MD 1 63 ILE MD . . 5.000 2.874 2.071 3.467 . 0 0 "[ . 1 . 2]" 1
791 1 45 MET H 1 46 ALA HA . . 5.460 5.354 5.321 5.376 . 0 0 "[ . 1 . 2]" 1
792 1 45 MET QB 1 46 ALA MB . . 5.000 4.553 4.498 4.593 . 0 0 "[ . 1 . 2]" 1
793 1 45 MET QB 1 47 LEU MD1 . . 7.280 7.284 7.195 7.417 0.137 5 0 "[ . 1 . 2]" 1
794 1 46 ALA HA 1 47 LEU H . . 5.000 3.529 3.503 3.544 . 0 0 "[ . 1 . 2]" 1
795 1 46 ALA MB 1 47 LEU HA . . 5.000 3.829 3.806 3.867 . 0 0 "[ . 1 . 2]" 1
796 1 46 ALA MB 1 47 LEU HG . . 6.330 5.259 4.919 6.091 . 0 0 "[ . 1 . 2]" 1
797 1 46 ALA HA 1 49 GLU QB . . 5.000 2.334 2.007 2.558 . 0 0 "[ . 1 . 2]" 1
798 1 46 ALA MB 1 49 GLU HA . . 6.550 6.237 6.106 6.494 . 0 0 "[ . 1 . 2]" 1
799 1 46 ALA MB 1 49 GLU QB . . 5.000 3.730 3.574 4.015 . 0 0 "[ . 1 . 2]" 1
800 1 46 ALA MB 1 63 ILE MG . . 8.560 7.762 7.520 8.155 . 0 0 "[ . 1 . 2]" 1
801 1 47 LEU H 1 47 LEU HG . . 4.230 4.069 3.866 4.339 0.109 5 0 "[ . 1 . 2]" 1
802 1 47 LEU HA 1 47 LEU HG . . 4.270 2.604 2.411 3.093 . 0 0 "[ . 1 . 2]" 1
803 1 47 LEU HA 1 51 PHE QD . . 5.000 4.501 4.019 4.979 . 0 0 "[ . 1 . 2]" 1
804 1 47 LEU MD2 1 51 PHE QD . . 5.000 2.573 1.878 4.635 . 0 0 "[ . 1 . 2]" 1
805 1 47 LEU MD1 1 63 ILE QG . . 3.000 2.937 2.599 3.064 0.064 17 0 "[ . 1 . 2]" 1
806 1 48 GLU QB 1 49 GLU H . . 3.500 3.247 2.460 3.463 . 0 0 "[ . 1 . 2]" 1
807 1 48 GLU HA 1 52 ASN HA . . 6.070 5.654 4.979 5.995 . 0 0 "[ . 1 . 2]" 1
808 1 49 GLU HA 1 49 GLU QG . . 3.600 2.361 2.004 2.764 . 0 0 "[ . 1 . 2]" 1
809 1 49 GLU HA 1 50 LYS QB . . 5.540 5.174 5.075 5.350 . 0 0 "[ . 1 . 2]" 1
810 1 49 GLU QB 1 50 LYS HA . . 5.000 4.094 3.838 4.295 . 0 0 "[ . 1 . 2]" 1
811 1 49 GLU H 1 51 PHE HA . . 7.040 6.959 6.795 7.078 0.038 18 0 "[ . 1 . 2]" 1
812 1 49 GLU QB 1 52 ASN QB . . 6.790 6.739 6.376 6.859 0.069 17 0 "[ . 1 . 2]" 1
813 1 49 GLU QG 1 52 ASN QB . . 6.840 6.417 5.487 6.893 0.053 12 0 "[ . 1 . 2]" 1
814 1 49 GLU HA 1 53 VAL HB . . 7.270 7.115 6.537 7.352 0.082 17 0 "[ . 1 . 2]" 1
815 1 49 GLU HA 1 53 VAL MG2 . . 6.620 4.847 4.543 5.365 . 0 0 "[ . 1 . 2]" 1
816 1 50 LYS HA 1 50 LYS QD . . 5.000 3.751 2.109 4.423 . 0 0 "[ . 1 . 2]" 1
817 1 50 LYS QG 1 51 PHE QD . . 5.000 3.795 2.028 5.012 0.012 15 0 "[ . 1 . 2]" 1
818 1 50 LYS QD 1 51 PHE QD . . 5.000 4.450 3.102 5.044 0.044 16 0 "[ . 1 . 2]" 1
819 1 50 LYS HA 1 55 ILE MD . . 7.860 7.928 7.788 8.096 0.236 10 0 "[ . 1 . 2]" 1
820 1 51 PHE QB 1 53 VAL QG . . 5.000 1.845 1.810 1.915 . 0 0 "[ . 1 . 2]" 1
821 1 51 PHE QD 1 53 VAL QG . . 5.000 3.205 2.788 3.451 . 0 0 "[ . 1 . 2]" 1
822 1 51 PHE QE 1 53 VAL QG . . 4.670 4.702 4.532 4.836 0.166 16 0 "[ . 1 . 2]" 1
823 1 51 PHE QD 1 55 ILE MD . . 5.840 4.806 4.242 5.322 . 0 0 "[ . 1 . 2]" 1
824 1 51 PHE QE 1 55 ILE QG . . 7.640 7.673 7.574 7.752 0.112 17 0 "[ . 1 . 2]" 1
825 1 51 PHE QE 1 55 ILE MD . . 7.110 6.347 5.761 6.972 . 0 0 "[ . 1 . 2]" 1
826 1 51 PHE QD 1 63 ILE MD . . 7.170 6.408 5.738 7.200 0.030 6 0 "[ . 1 . 2]" 1
827 1 51 PHE QB 1 73 ILE MG . . 5.670 4.708 4.466 5.049 . 0 0 "[ . 1 . 2]" 1
828 1 52 ASN H 1 53 VAL HB . . 5.840 5.893 5.647 6.034 0.194 12 0 "[ . 1 . 2]" 1
829 1 52 ASN QB 1 53 VAL QG . . 5.000 3.830 3.699 4.116 . 0 0 "[ . 1 . 2]" 1
830 1 53 VAL HA 1 54 THR HB . . 5.000 4.595 4.344 5.001 0.001 10 0 "[ . 1 . 2]" 1
831 1 53 VAL HA 1 54 THR MG . . 5.750 4.588 3.666 5.589 . 0 0 "[ . 1 . 2]" 1
832 1 53 VAL HB 1 54 THR HA . . 5.000 4.115 3.987 4.400 . 0 0 "[ . 1 . 2]" 1
833 1 53 VAL HB 1 54 THR HB . . 5.000 4.944 4.623 5.133 0.133 2 0 "[ . 1 . 2]" 1
834 1 53 VAL QG 1 54 THR H . . 3.500 2.511 1.909 2.887 . 0 0 "[ . 1 . 2]" 1
835 1 53 VAL QG 1 54 THR HA . . 5.000 4.228 4.072 4.329 . 0 0 "[ . 1 . 2]" 1
836 1 53 VAL QG 1 55 ILE MD . . 5.000 1.867 1.767 2.378 . 0 0 "[ . 1 . 2]" 1
837 1 53 VAL MG1 1 63 ILE MD . . 7.050 6.564 5.654 6.938 . 0 0 "[ . 1 . 2]" 1
838 1 53 VAL MG2 1 63 ILE MD . . 6.390 5.569 5.190 5.971 . 0 0 "[ . 1 . 2]" 1
839 1 53 VAL HB 1 72 TYR QE . . 5.000 3.884 3.042 4.662 . 0 0 "[ . 1 . 2]" 1
840 1 53 VAL MG2 1 72 TYR HA . . 7.560 7.154 6.559 7.553 . 0 0 "[ . 1 . 2]" 1
841 1 53 VAL MG2 1 72 TYR QD . . 5.480 4.740 4.092 5.452 . 0 0 "[ . 1 . 2]" 1
842 1 53 VAL MG2 1 72 TYR QE . . 5.000 2.958 2.395 3.967 . 0 0 "[ . 1 . 2]" 1
843 1 53 VAL MG1 1 73 ILE MG . . 5.320 5.325 4.673 5.472 0.152 1 0 "[ . 1 . 2]" 1
844 1 55 ILE HA 1 55 ILE MG . . 3.500 2.074 1.947 2.214 . 0 0 "[ . 1 . 2]" 1
845 1 55 ILE MG 1 59 ASP HA . . 5.000 2.644 2.091 3.090 . 0 0 "[ . 1 . 2]" 1
846 1 55 ILE MG 1 59 ASP QB . . 3.600 2.469 1.867 3.171 . 0 0 "[ . 1 . 2]" 1
847 1 55 ILE MG 1 62 LYS QB . . 6.980 3.999 3.484 4.473 . 0 0 "[ . 1 . 2]" 1
848 1 55 ILE MG 1 62 LYS QE . . 3.000 2.932 2.574 3.121 0.121 11 0 "[ . 1 . 2]" 1
849 1 56 SER QB 1 58 GLN H . . 5.000 4.134 3.671 4.641 . 0 0 "[ . 1 . 2]" 1
850 1 58 GLN HA 1 63 ILE MD . . 6.200 6.029 5.784 6.398 0.198 5 0 "[ . 1 . 2]" 1
851 1 59 ASP HA 1 62 LYS H . . 5.000 3.906 3.224 4.476 . 0 0 "[ . 1 . 2]" 1
852 1 59 ASP HA 1 62 LYS QG . . 5.000 4.289 3.757 4.839 . 0 0 "[ . 1 . 2]" 1
853 1 59 ASP QB 1 72 TYR QE . . 5.000 4.322 3.309 5.026 0.026 12 0 "[ . 1 . 2]" 1
854 1 62 LYS HA 1 62 LYS QG . . 3.600 2.232 2.126 2.589 . 0 0 "[ . 1 . 2]" 1
855 1 62 LYS QD 1 63 ILE HA . . 5.800 5.622 5.105 5.882 0.082 20 0 "[ . 1 . 2]" 1
856 1 62 LYS HA 1 64 ASN QD . . 5.000 2.603 2.352 3.222 . 0 0 "[ . 1 . 2]" 1
857 1 62 LYS QB 1 65 THR MG . . 6.050 5.914 5.711 6.090 0.040 20 0 "[ . 1 . 2]" 1
858 1 62 LYS QG 1 65 THR MG . . 5.660 5.682 5.409 5.767 0.107 4 0 "[ . 1 . 2]" 1
859 1 63 ILE HA 1 63 ILE MG . . 3.500 2.406 2.334 2.453 . 0 0 "[ . 1 . 2]" 1
860 1 63 ILE HA 1 64 ASN QB . . 5.380 5.422 5.299 5.589 0.209 6 0 "[ . 1 . 2]" 1
861 1 63 ILE MG 1 64 ASN HA . . 5.670 3.647 3.495 3.881 . 0 0 "[ . 1 . 2]" 1
862 1 63 ILE MG 1 64 ASN QB . . 5.690 4.785 4.645 4.954 . 0 0 "[ . 1 . 2]" 1
863 1 63 ILE HA 1 68 ASP H . . 5.580 5.494 5.375 5.639 0.059 13 0 "[ . 1 . 2]" 1
864 1 63 ILE HA 1 68 ASP QB . . 5.000 3.965 3.621 4.067 . 0 0 "[ . 1 . 2]" 1
865 1 63 ILE MG 1 68 ASP QB . . 5.350 5.418 5.210 5.500 0.150 4 0 "[ . 1 . 2]" 1
866 1 63 ILE MD 1 69 ALA HA . . 5.000 3.751 3.627 3.869 . 0 0 "[ . 1 . 2]" 1
867 1 63 ILE MD 1 69 ALA MB . . 4.110 4.162 3.950 4.214 0.104 13 0 "[ . 1 . 2]" 1
868 1 63 ILE MD 1 72 TYR QD . . 5.000 3.117 2.883 3.315 . 0 0 "[ . 1 . 2]" 1
869 1 64 ASN QB 1 65 THR MG . . 5.000 3.097 2.515 3.433 . 0 0 "[ . 1 . 2]" 1
870 1 64 ASN QB 1 68 ASP QB . . 5.460 5.296 4.972 5.455 . 0 0 "[ . 1 . 2]" 1
871 1 64 ASN QD 1 69 ALA MB . . 5.210 4.974 4.707 5.284 0.074 19 0 "[ . 1 . 2]" 1
872 1 65 THR HA 1 65 THR MG . . 3.600 2.440 2.342 2.562 . 0 0 "[ . 1 . 2]" 1
873 1 65 THR HB 1 66 VAL H . . 4.500 3.263 3.144 3.419 . 0 0 "[ . 1 . 2]" 1
874 1 65 THR HB 1 66 VAL HB . . 5.340 4.838 4.686 4.969 . 0 0 "[ . 1 . 2]" 1
875 1 65 THR HB 1 67 GLN H . . 5.000 2.919 2.737 3.283 . 0 0 "[ . 1 . 2]" 1
876 1 65 THR MG 1 68 ASP QB . . 5.000 3.334 2.797 3.624 . 0 0 "[ . 1 . 2]" 1
877 1 66 VAL H 1 67 GLN QG . . 6.450 6.237 5.955 6.454 0.004 20 0 "[ . 1 . 2]" 1
878 1 66 VAL HB 1 67 GLN HA . . 5.400 4.336 4.290 4.375 . 0 0 "[ . 1 . 2]" 1
879 1 66 VAL QG 1 67 GLN HA . . 5.000 3.450 3.382 3.558 . 0 0 "[ . 1 . 2]" 1
880 1 66 VAL HA 1 69 ALA MB . . 5.000 2.418 2.349 2.527 . 0 0 "[ . 1 . 2]" 1
881 1 67 GLN QG 1 68 ASP H . . 5.000 3.764 2.931 4.317 . 0 0 "[ . 1 . 2]" 1
882 1 67 GLN HA 1 69 ALA MB . . 5.000 4.798 4.636 4.895 . 0 0 "[ . 1 . 2]" 1
883 1 67 GLN QG 1 71 ASP H . . 5.970 5.477 4.814 5.975 0.005 8 0 "[ . 1 . 2]" 1
884 1 68 ASP QB 1 69 ALA MB . . 5.000 4.021 3.956 4.066 . 0 0 "[ . 1 . 2]" 1
885 1 68 ASP HA 1 70 ILE MG . . 6.140 5.813 4.313 6.219 0.079 4 0 "[ . 1 . 2]" 1
886 1 68 ASP QB 1 70 ILE MG . . 6.400 6.089 5.211 6.392 . 0 0 "[ . 1 . 2]" 1
887 1 68 ASP HA 1 71 ASP QB . . 5.000 2.341 2.185 2.640 . 0 0 "[ . 1 . 2]" 1
888 1 69 ALA HA 1 70 ILE MG . . 5.860 4.916 4.835 5.081 . 0 0 "[ . 1 . 2]" 1
889 1 69 ALA MB 1 70 ILE MG . . 5.000 2.912 2.617 3.512 . 0 0 "[ . 1 . 2]" 1
890 1 69 ALA MB 1 71 ASP QB . . 5.560 5.182 5.109 5.273 . 0 0 "[ . 1 . 2]" 1
891 1 69 ALA HA 1 72 TYR QB . . 5.000 2.663 2.429 3.067 . 0 0 "[ . 1 . 2]" 1
892 1 69 ALA HA 1 73 ILE MG . . 5.000 3.966 3.792 4.136 . 0 0 "[ . 1 . 2]" 1
893 1 69 ALA MB 1 73 ILE MG . . 5.000 3.826 3.659 4.000 . 0 0 "[ . 1 . 2]" 1
894 1 70 ILE HA 1 70 ILE MG . . 3.500 2.542 2.256 3.193 . 0 0 "[ . 1 . 2]" 1
895 1 70 ILE MG 1 71 ASP HA . . 5.420 5.051 3.492 5.455 0.035 6 0 "[ . 1 . 2]" 1
896 1 70 ILE MG 1 72 TYR QD . . 6.170 5.763 5.576 6.037 . 0 0 "[ . 1 . 2]" 1
897 1 70 ILE MD 1 72 TYR QD . . 7.060 6.903 5.727 7.326 0.266 4 0 "[ . 1 . 2]" 1
898 1 70 ILE HA 1 73 ILE HB . . 5.000 4.920 4.650 5.079 0.079 13 0 "[ . 1 . 2]" 1
899 1 70 ILE HA 1 73 ILE QG . . 3.500 2.152 1.927 2.348 . 0 0 "[ . 1 . 2]" 1
900 1 70 ILE HA 1 73 ILE MG . . 3.500 3.338 3.159 3.480 . 0 0 "[ . 1 . 2]" 1
901 1 70 ILE MG 1 73 ILE QG . . 5.000 3.855 3.434 4.496 . 0 0 "[ . 1 . 2]" 1
902 1 70 ILE MG 1 74 GLU QG . . 5.000 4.437 4.013 5.214 0.214 11 0 "[ . 1 . 2]" 1
903 1 71 ASP QB 1 73 ILE QG . . 6.100 5.334 5.100 5.501 . 0 0 "[ . 1 . 2]" 1
904 1 71 ASP HA 1 74 GLU HA . . 5.980 5.425 5.345 5.558 . 0 0 "[ . 1 . 2]" 1
905 1 71 ASP HA 1 74 GLU QB . . 4.380 2.644 2.475 3.777 . 0 0 "[ . 1 . 2]" 1
906 1 71 ASP QB 1 74 GLU QG . . 5.870 5.130 3.594 5.639 . 0 0 "[ . 1 . 2]" 1
907 1 72 TYR QD 1 73 ILE HA . . 5.000 3.957 3.854 4.050 . 0 0 "[ . 1 . 2]" 1
908 1 72 TYR QD 1 73 ILE MG . . 5.000 2.208 2.047 2.635 . 0 0 "[ . 1 . 2]" 1
909 1 72 TYR QE 1 73 ILE HA . . 5.000 4.115 3.969 4.279 . 0 0 "[ . 1 . 2]" 1
910 1 72 TYR HA 1 75 LYS QB . . 5.800 3.584 2.506 3.840 . 0 0 "[ . 1 . 2]" 1
911 1 72 TYR HA 1 75 LYS QD . . 4.200 2.634 1.941 3.685 . 0 0 "[ . 1 . 2]" 1
912 1 72 TYR QB 1 75 LYS QD . . 5.000 3.810 3.153 4.799 . 0 0 "[ . 1 . 2]" 1
913 1 73 ILE QG 1 74 GLU QG . . 3.600 2.440 1.948 3.361 . 0 0 "[ . 1 . 2]" 1
914 1 73 ILE MG 1 74 GLU HA . . 5.500 5.417 5.397 5.441 . 0 0 "[ . 1 . 2]" 1
915 1 73 ILE MG 1 74 GLU QG . . 5.000 4.672 4.465 4.956 . 0 0 "[ . 1 . 2]" 1
916 1 73 ILE MG 1 74 GLU QB . . 5.360 5.387 5.175 5.484 0.124 2 0 "[ . 1 . 2]" 1
917 1 73 ILE QG 1 75 LYS QB . . 6.500 5.916 5.441 6.069 . 0 0 "[ . 1 . 2]" 1
918 1 73 ILE MG 1 75 LYS HA . . 7.500 7.574 7.528 7.617 0.117 1 0 "[ . 1 . 2]" 1
919 1 73 ILE MG 1 75 LYS QD . . 6.330 6.058 5.730 6.353 0.023 16 0 "[ . 1 . 2]" 1
920 1 73 ILE MG 1 76 ASN QB . . 6.310 4.655 4.426 5.282 . 0 0 "[ . 1 . 2]" 1
921 1 73 ILE MG 1 77 ASN QB . . 5.750 4.659 3.883 5.795 0.045 4 0 "[ . 1 . 2]" 1
922 1 74 GLU HA 1 74 GLU QG . . 3.500 2.626 2.201 3.405 . 0 0 "[ . 1 . 2]" 1
923 1 74 GLU QB 1 75 LYS H . . 5.000 2.867 2.676 3.423 . 0 0 "[ . 1 . 2]" 1
924 1 74 GLU QB 1 75 LYS QD . . 5.950 5.549 5.050 5.994 0.044 12 0 "[ . 1 . 2]" 1
925 1 75 LYS HA 1 75 LYS QG . . 3.500 3.243 2.565 3.432 . 0 0 "[ . 1 . 2]" 1
926 1 75 LYS QB 1 75 LYS QD . . 3.500 2.181 1.997 2.397 . 0 0 "[ . 1 . 2]" 1
927 1 75 LYS QB 1 76 ASN QB . . 5.000 4.819 3.799 5.024 0.024 15 0 "[ . 1 . 2]" 1
928 1 75 LYS QG 1 76 ASN QB . . 5.000 3.490 2.877 5.019 0.019 12 0 "[ . 1 . 2]" 1
929 1 75 LYS QD 1 76 ASN QB . . 5.000 4.000 2.477 4.789 . 0 0 "[ . 1 . 2]" 1
930 1 76 ASN H 1 77 ASN QB . . 5.550 4.556 3.868 4.973 . 0 0 "[ . 1 . 2]" 1
931 1 76 ASN HA 1 77 ASN H . . 5.000 3.562 3.551 3.571 . 0 0 "[ . 1 . 2]" 1
932 1 76 ASN QB 1 77 ASN QB . . 5.000 3.830 3.407 4.203 . 0 0 "[ . 1 . 2]" 1
933 1 77 ASN QB 1 79 GLN QG . . 5.000 4.015 1.968 5.059 0.059 8 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 52
_Distance_constraint_stats_list.Viol_count 427
_Distance_constraint_stats_list.Viol_total 570.687
_Distance_constraint_stats_list.Viol_max 0.255
_Distance_constraint_stats_list.Viol_rms 0.0477
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0274
_Distance_constraint_stats_list.Viol_average_violations_only 0.0668
_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 4 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ASP 3.101 0.213 14 0 "[ . 1 . 2]"
1 7 ASP 1.054 0.167 4 0 "[ . 1 . 2]"
1 8 ILE 0.625 0.086 13 0 "[ . 1 . 2]"
1 9 LYS 1.874 0.168 15 0 "[ . 1 . 2]"
1 10 LYS 5.034 0.213 14 0 "[ . 1 . 2]"
1 11 ILE 1.198 0.167 4 0 "[ . 1 . 2]"
1 12 ILE 0.625 0.086 13 0 "[ . 1 . 2]"
1 13 SER 1.874 0.168 15 0 "[ . 1 . 2]"
1 14 LYS 1.933 0.152 5 0 "[ . 1 . 2]"
1 15 GLN 0.144 0.038 1 0 "[ . 1 . 2]"
1 37 SER 0.312 0.050 19 0 "[ . 1 . 2]"
1 38 LEU 0.141 0.044 19 0 "[ . 1 . 2]"
1 39 ASP 0.232 0.069 1 0 "[ . 1 . 2]"
1 40 LEU 1.719 0.114 17 0 "[ . 1 . 2]"
1 41 VAL 0.745 0.057 10 0 "[ . 1 . 2]"
1 42 GLU 5.081 0.255 12 0 "[ . 1 . 2]"
1 43 LEU 1.416 0.116 12 0 "[ . 1 . 2]"
1 44 ILE 2.111 0.114 17 0 "[ . 1 . 2]"
1 45 MET 1.472 0.104 10 0 "[ . 1 . 2]"
1 46 ALA 5.421 0.255 12 0 "[ . 1 . 2]"
1 47 LEU 1.760 0.179 17 0 "[ . 1 . 2]"
1 48 GLU 0.540 0.091 1 0 "[ . 1 . 2]"
1 49 GLU 1.039 0.104 10 0 "[ . 1 . 2]"
1 50 LYS 0.481 0.067 10 0 "[ . 1 . 2]"
1 51 PHE 0.576 0.179 17 0 "[ . 1 . 2]"
1 52 ASN 0.148 0.058 16 0 "[ . 1 . 2]"
1 66 VAL 1.700 0.129 20 0 "[ . 1 . 2]"
1 67 GLN 2.231 0.177 19 0 "[ . 1 . 2]"
1 68 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ALA 1.427 0.128 17 0 "[ . 1 . 2]"
1 70 ILE 3.670 0.155 11 0 "[ . 1 . 2]"
1 71 ASP 3.109 0.177 19 0 "[ . 1 . 2]"
1 72 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ILE 1.427 0.128 17 0 "[ . 1 . 2]"
1 74 GLU 1.971 0.155 11 0 "[ . 1 . 2]"
1 75 LYS 0.878 0.090 11 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 4 THR O 1 8 ILE H . . 2.200 1.982 1.800 2.070 . 0 0 "[ . 1 . 2]" 2
2 1 4 THR O 1 8 ILE N . . 3.200 2.870 2.723 2.955 . 0 0 "[ . 1 . 2]" 2
3 1 5 PHE O 1 9 LYS H . . 2.200 1.882 1.802 1.964 . 0 0 "[ . 1 . 2]" 2
4 1 5 PHE O 1 9 LYS N . . 3.200 2.695 2.658 2.731 . 0 0 "[ . 1 . 2]" 2
5 1 6 ASP O 1 10 LYS H . . 2.200 2.353 2.302 2.413 0.213 14 0 "[ . 1 . 2]" 2
6 1 6 ASP O 1 10 LYS N . . 3.200 3.164 3.110 3.226 0.026 14 0 "[ . 1 . 2]" 2
7 1 7 ASP O 1 11 ILE H . . 2.200 2.240 2.109 2.367 0.167 4 0 "[ . 1 . 2]" 2
8 1 7 ASP O 1 11 ILE N . . 3.200 3.144 3.038 3.243 0.043 14 0 "[ . 1 . 2]" 2
9 1 8 ILE O 1 12 ILE H . . 2.200 2.217 2.040 2.286 0.086 13 0 "[ . 1 . 2]" 2
10 1 8 ILE O 1 12 ILE N . . 3.200 3.139 2.973 3.198 . 0 0 "[ . 1 . 2]" 2
11 1 9 LYS O 1 13 SER H . . 2.200 2.294 2.246 2.368 0.168 15 0 "[ . 1 . 2]" 2
12 1 9 LYS O 1 13 SER N . . 3.200 3.053 2.983 3.185 . 0 0 "[ . 1 . 2]" 2
13 1 10 LYS O 1 14 LYS H . . 2.200 2.293 2.210 2.352 0.152 5 0 "[ . 1 . 2]" 2
14 1 10 LYS O 1 14 LYS N . . 3.200 3.123 2.972 3.227 0.027 5 0 "[ . 1 . 2]" 2
15 1 11 ILE O 1 15 GLN H . . 2.200 2.116 1.965 2.238 0.038 1 0 "[ . 1 . 2]" 2
16 1 11 ILE O 1 15 GLN N . . 3.200 2.858 2.723 3.005 . 0 0 "[ . 1 . 2]" 2
17 1 37 SER O 1 41 VAL H . . 2.200 2.166 1.790 2.250 0.050 19 0 "[ . 1 . 2]" 2
18 1 37 SER O 1 41 VAL N . . 3.200 3.090 2.739 3.199 . 0 0 "[ . 1 . 2]" 2
19 1 38 LEU O 1 42 GLU H . . 2.200 2.127 1.913 2.244 0.044 19 0 "[ . 1 . 2]" 2
20 1 38 LEU O 1 42 GLU N . . 3.200 2.841 2.729 2.984 . 0 0 "[ . 1 . 2]" 2
21 1 39 ASP O 1 43 LEU H . . 2.200 2.028 1.797 2.269 0.069 1 0 "[ . 1 . 2]" 2
22 1 39 ASP O 1 43 LEU N . . 3.200 2.964 2.738 3.205 0.005 7 0 "[ . 1 . 2]" 2
23 1 40 LEU O 1 44 ILE H . . 2.200 2.276 2.166 2.314 0.114 17 0 "[ . 1 . 2]" 2
24 1 40 LEU O 1 44 ILE N . . 3.200 3.189 3.073 3.232 0.032 14 0 "[ . 1 . 2]" 2
25 1 41 VAL O 1 45 MET H . . 2.200 2.170 1.828 2.257 0.057 10 0 "[ . 1 . 2]" 2
26 1 41 VAL O 1 45 MET N . . 3.200 3.065 2.738 3.153 . 0 0 "[ . 1 . 2]" 2
27 1 42 GLU O 1 46 ALA H . . 2.200 2.405 2.354 2.455 0.255 12 0 "[ . 1 . 2]" 2
28 1 42 GLU O 1 46 ALA N . . 3.200 3.242 3.203 3.272 0.072 3 0 "[ . 1 . 2]" 2
29 1 43 LEU O 1 47 LEU H . . 2.200 2.259 2.210 2.316 0.116 12 0 "[ . 1 . 2]" 2
30 1 43 LEU O 1 47 LEU N . . 3.200 3.144 3.085 3.196 . 0 0 "[ . 1 . 2]" 2
31 1 44 ILE O 1 48 GLU H . . 2.200 2.180 1.808 2.291 0.091 1 0 "[ . 1 . 2]" 2
32 1 44 ILE O 1 48 GLU N . . 3.200 3.128 2.738 3.242 0.042 1 0 "[ . 1 . 2]" 2
33 1 45 MET O 1 49 GLU H . . 2.200 2.230 2.053 2.304 0.104 10 0 "[ . 1 . 2]" 2
34 1 45 MET O 1 49 GLU N . . 3.200 3.111 2.906 3.203 0.003 8 0 "[ . 1 . 2]" 2
35 1 46 ALA O 1 50 LYS H . . 2.200 2.220 2.126 2.267 0.067 10 0 "[ . 1 . 2]" 2
36 1 46 ALA O 1 50 LYS N . . 3.200 3.027 2.924 3.123 . 0 0 "[ . 1 . 2]" 2
37 1 47 LEU O 1 51 PHE H . . 2.200 2.154 1.857 2.379 0.179 17 0 "[ . 1 . 2]" 2
38 1 47 LEU O 1 51 PHE N . . 3.200 3.034 2.763 3.203 0.003 17 0 "[ . 1 . 2]" 2
39 1 48 GLU O 1 52 ASN H . . 2.200 2.078 1.903 2.258 0.058 16 0 "[ . 1 . 2]" 2
40 1 48 GLU O 1 52 ASN N . . 3.200 2.795 2.712 2.935 . 0 0 "[ . 1 . 2]" 2
41 1 66 VAL O 1 70 ILE H . . 2.200 2.257 2.220 2.329 0.129 20 0 "[ . 1 . 2]" 2
42 1 66 VAL O 1 70 ILE N . . 3.200 3.227 3.189 3.306 0.106 20 0 "[ . 1 . 2]" 2
43 1 67 GLN O 1 71 ASP H . . 2.200 2.309 2.235 2.377 0.177 19 0 "[ . 1 . 2]" 2
44 1 67 GLN O 1 71 ASP N . . 3.200 3.143 3.061 3.235 0.035 19 0 "[ . 1 . 2]" 2
45 1 68 ASP O 1 72 TYR H . . 2.200 2.066 1.963 2.160 . 0 0 "[ . 1 . 2]" 2
46 1 68 ASP O 1 72 TYR N . . 3.200 2.730 2.690 2.795 . 0 0 "[ . 1 . 2]" 2
47 1 69 ALA O 1 73 ILE H . . 2.200 2.267 2.132 2.328 0.128 17 0 "[ . 1 . 2]" 2
48 1 69 ALA O 1 73 ILE N . . 3.200 3.125 3.046 3.207 0.007 17 0 "[ . 1 . 2]" 2
49 1 70 ILE O 1 74 GLU H . . 2.200 2.299 2.248 2.355 0.155 11 0 "[ . 1 . 2]" 2
50 1 70 ILE O 1 74 GLU N . . 3.200 3.114 3.011 3.194 . 0 0 "[ . 1 . 2]" 2
51 1 71 ASP O 1 75 LYS H . . 2.200 2.239 2.100 2.290 0.090 11 0 "[ . 1 . 2]" 2
52 1 71 ASP O 1 75 LYS N . . 3.200 3.028 2.899 3.154 . 0 0 "[ . 1 . 2]" 2
stop_
save_