NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
385602 |
1l3g   |
4254 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1l3g
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 803
_Distance_constraint_stats_list.Viol_count 661
_Distance_constraint_stats_list.Viol_total 598.762
_Distance_constraint_stats_list.Viol_max 0.358
_Distance_constraint_stats_list.Viol_rms 0.0136
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0477
_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 3 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 4 ILE 0.063 0.024 18 0 "[ . 1 . ]"
1 5 TYR 0.533 0.184 15 0 "[ . 1 . ]"
1 6 SER 0.022 0.012 9 0 "[ . 1 . ]"
1 7 ALA 0.027 0.027 17 0 "[ . 1 . ]"
1 8 ARG 0.100 0.034 18 0 "[ . 1 . ]"
1 9 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 10 SER 0.271 0.022 12 0 "[ . 1 . ]"
1 11 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 12 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 13 ASP 0.127 0.034 18 0 "[ . 1 . ]"
1 14 VAL 0.030 0.023 19 0 "[ . 1 . ]"
1 15 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 16 GLU 0.232 0.040 17 0 "[ . 1 . ]"
1 17 PHE 0.079 0.033 16 0 "[ . 1 . ]"
1 18 ILE 2.128 0.147 19 0 "[ . 1 . ]"
1 19 HIS 1.084 0.082 10 0 "[ . 1 . ]"
1 20 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 21 THR 2.386 0.147 19 0 "[ . 1 . ]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 23 SER 2.343 0.082 10 0 "[ . 1 . ]"
1 24 ILE 0.153 0.040 19 0 "[ . 1 . ]"
1 25 MET 0.926 0.081 15 0 "[ . 1 . ]"
1 26 LYS 0.079 0.040 17 0 "[ . 1 . ]"
1 27 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 28 LYS 0.376 0.063 18 0 "[ . 1 . ]"
1 29 LYS 0.196 0.113 2 0 "[ . 1 . ]"
1 30 ASP 0.237 0.063 18 0 "[ . 1 . ]"
1 31 ASP 0.246 0.113 2 0 "[ . 1 . ]"
1 32 TRP 0.004 0.004 14 0 "[ . 1 . ]"
1 33 VAL 0.160 0.077 13 0 "[ . 1 . ]"
1 34 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 35 ALA 0.548 0.048 16 0 "[ . 1 . ]"
1 36 THR 0.132 0.039 18 0 "[ . 1 . ]"
1 37 HIS 0.036 0.029 17 0 "[ . 1 . ]"
1 38 ILE 0.039 0.039 13 0 "[ . 1 . ]"
1 39 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 40 LYS 0.036 0.029 17 0 "[ . 1 . ]"
1 41 ALA 0.002 0.002 9 0 "[ . 1 . ]"
1 42 ALA 0.038 0.017 4 0 "[ . 1 . ]"
1 43 ASN 0.163 0.129 4 0 "[ . 1 . ]"
1 44 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 45 ALA 2.769 0.177 17 0 "[ . 1 . ]"
1 46 LYS 0.602 0.060 16 0 "[ . 1 . ]"
1 47 ALA 1.293 0.085 5 0 "[ . 1 . ]"
1 48 LYS 0.056 0.023 16 0 "[ . 1 . ]"
1 49 ARG 3.353 0.177 17 0 "[ . 1 . ]"
1 50 THR 0.450 0.056 12 0 "[ . 1 . ]"
1 51 ARG 1.293 0.085 5 0 "[ . 1 . ]"
1 52 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 53 LEU 0.412 0.056 12 0 "[ . 1 . ]"
1 54 GLU 0.764 0.107 2 0 "[ . 1 . ]"
1 55 LYS 0.980 0.121 11 0 "[ . 1 . ]"
1 56 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 57 VAL 0.404 0.085 4 0 "[ . 1 . ]"
1 58 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 59 LYS 0.217 0.069 7 0 "[ . 1 . ]"
1 60 GLU 1.027 0.121 11 0 "[ . 1 . ]"
1 61 THR 0.040 0.020 7 0 "[ . 1 . ]"
1 62 HIS 0.152 0.035 3 0 "[ . 1 . ]"
1 63 GLU 0.035 0.020 13 0 "[ . 1 . ]"
1 64 LYS 0.036 0.023 16 0 "[ . 1 . ]"
1 65 VAL 0.206 0.078 16 0 "[ . 1 . ]"
1 66 GLN 0.009 0.009 10 0 "[ . 1 . ]"
1 67 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 69 PHE 0.271 0.022 12 0 "[ . 1 . ]"
1 70 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 71 LYS 0.011 0.010 1 0 "[ . 1 . ]"
1 72 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 73 GLN 0.011 0.010 1 0 "[ . 1 . ]"
1 74 GLY 0.332 0.078 16 0 "[ . 1 . ]"
1 75 THR 0.132 0.039 18 0 "[ . 1 . ]"
1 76 TRP 0.279 0.077 13 0 "[ . 1 . ]"
1 77 VAL 0.770 0.048 5 0 "[ . 1 . ]"
1 78 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 79 LEU 0.019 0.014 14 0 "[ . 1 . ]"
1 80 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 81 ILE 0.159 0.048 5 0 "[ . 1 . ]"
1 82 ALA 0.055 0.011 16 0 "[ . 1 . ]"
1 83 LYS 0.003 0.003 8 0 "[ . 1 . ]"
1 84 GLN 1.629 0.097 19 0 "[ . 1 . ]"
1 85 LEU 1.752 0.109 12 0 "[ . 1 . ]"
1 86 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 87 GLU 7.531 0.171 1 0 "[ . 1 . ]"
1 88 LYS 0.012 0.012 17 0 "[ . 1 . ]"
1 89 PHE 1.721 0.104 1 0 "[ . 1 . ]"
1 90 SER 2.282 0.184 14 0 "[ . 1 . ]"
1 91 VAL 0.189 0.104 1 0 "[ . 1 . ]"
1 92 TYR 0.428 0.046 4 0 "[ . 1 . ]"
1 93 ASP 0.004 0.004 12 0 "[ . 1 . ]"
1 94 GLN 0.635 0.108 18 0 "[ . 1 . ]"
1 95 LEU 0.528 0.090 16 0 "[ . 1 . ]"
1 96 LYS 0.074 0.020 3 0 "[ . 1 . ]"
1 98 LEU 0.460 0.090 16 0 "[ . 1 . ]"
1 99 PHE 0.267 0.044 9 0 "[ . 1 . ]"
1 100 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 101 PHE 0.290 0.061 2 0 "[ . 1 . ]"
1 102 THR 1.262 0.358 7 0 "[ . 1 . ]"
1 103 GLN 1.496 0.358 7 0 "[ . 1 . ]"
1 105 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 106 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 107 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 108 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 112 PRO 0.453 0.093 10 0 "[ . 1 . ]"
1 113 ALA 0.947 0.184 15 0 "[ . 1 . ]"
1 115 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 120 SER 0.389 0.146 19 0 "[ . 1 . ]"
1 121 LYS 0.389 0.146 19 0 "[ . 1 . ]"
1 122 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 123 ASP 0.000 0.000 . 0 "[ . 1 . ]"
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 3 GLN H 1 4 ILE H 0.000 . 5.240 4.485 3.940 4.602 . 0 0 "[ . 1 . ]" 1
2 1 3 GLN HA 1 4 ILE H 0.000 . 2.730 2.521 2.234 2.660 . 0 0 "[ . 1 . ]" 1
3 1 3 GLN HB3 1 4 ILE H 0.000 . 5.850 2.892 2.122 4.118 . 0 0 "[ . 1 . ]" 1
4 1 3 GLN HB3 1 5 TYR H 0.000 . 6.000 4.774 3.994 5.935 . 0 0 "[ . 1 . ]" 1
5 1 3 GLN HB2 1 4 ILE H 0.000 . 5.850 3.738 2.307 4.669 . 0 0 "[ . 1 . ]" 1
6 1 3 GLN HB2 1 5 TYR H 0.000 . 6.000 5.242 4.250 5.998 . 0 0 "[ . 1 . ]" 1
7 1 3 GLN QB 1 5 TYR H 0.000 . 5.550 4.327 3.898 5.023 . 0 0 "[ . 1 . ]" 1
8 1 3 GLN QB 1 18 ILE H 0.000 . 6.730 4.886 1.770 6.063 . 0 0 "[ . 1 . ]" 1
9 1 3 GLN QB 1 98 LEU H 0.000 . 7.380 6.542 5.805 6.671 . 0 0 "[ . 1 . ]" 1
10 1 4 ILE H 1 4 ILE HB 0.000 . 3.450 2.426 2.172 3.457 0.007 16 0 "[ . 1 . ]" 1
11 1 4 ILE H 1 5 TYR H 0.000 . 5.920 4.017 3.791 4.422 . 0 0 "[ . 1 . ]" 1
12 1 4 ILE H 1 5 TYR QD 0.000 . 8.140 4.071 2.792 6.848 . 0 0 "[ . 1 . ]" 1
13 1 4 ILE HA 1 16 GLU H 0.000 . 6.000 4.985 4.007 5.696 . 0 0 "[ . 1 . ]" 1
14 1 4 ILE HA 1 17 PHE H 0.000 . 6.000 4.774 4.061 5.683 . 0 0 "[ . 1 . ]" 1
15 1 4 ILE HA 1 18 ILE H 0.000 . 5.620 4.719 3.928 5.372 . 0 0 "[ . 1 . ]" 1
16 1 4 ILE HB 1 5 TYR H 0.000 . 5.540 4.596 4.253 4.698 . 0 0 "[ . 1 . ]" 1
17 1 4 ILE HB 1 101 PHE H 0.000 . 6.000 5.418 4.579 6.024 0.024 18 0 "[ . 1 . ]" 1
18 1 4 ILE MG 1 5 TYR H 0.000 . 6.460 3.541 2.581 4.337 . 0 0 "[ . 1 . ]" 1
19 1 4 ILE MG 1 15 TYR QB 0.000 . 6.570 3.205 1.879 4.578 . 0 0 "[ . 1 . ]" 1
20 1 4 ILE MG 1 15 TYR QD 0.000 . 9.170 3.941 2.591 6.130 . 0 0 "[ . 1 . ]" 1
21 1 4 ILE MG 1 16 GLU H 0.000 . 7.030 4.535 3.614 5.494 . 0 0 "[ . 1 . ]" 1
22 1 4 ILE MG 1 101 PHE H 0.000 . 7.030 5.415 3.254 5.844 . 0 0 "[ . 1 . ]" 1
23 1 4 ILE HG13 1 5 TYR H 0.000 . 6.000 4.647 4.043 5.325 . 0 0 "[ . 1 . ]" 1
24 1 4 ILE HG12 1 5 TYR H 0.000 . 6.000 4.673 3.341 5.704 . 0 0 "[ . 1 . ]" 1
25 1 4 ILE QG 1 16 GLU H 0.000 . 6.880 5.147 2.860 6.203 . 0 0 "[ . 1 . ]" 1
26 1 4 ILE QG 1 17 PHE H 0.000 . 6.880 4.903 3.853 6.096 . 0 0 "[ . 1 . ]" 1
27 1 4 ILE QG 1 18 ILE H 0.000 . 6.880 5.681 4.767 6.195 . 0 0 "[ . 1 . ]" 1
28 1 4 ILE QG 1 98 LEU H 0.000 . 6.880 4.553 2.968 6.081 . 0 0 "[ . 1 . ]" 1
29 1 4 ILE QG 1 101 PHE H 0.000 . 6.880 5.247 4.023 6.195 . 0 0 "[ . 1 . ]" 1
30 1 4 ILE MD 1 5 TYR H 0.000 . 7.030 4.763 3.551 5.495 . 0 0 "[ . 1 . ]" 1
31 1 4 ILE MD 1 98 LEU HA 0.000 . 4.820 2.466 1.333 3.896 . 0 0 "[ . 1 . ]" 1
32 1 4 ILE MD 1 101 PHE H 0.000 . 7.030 4.057 2.464 5.674 . 0 0 "[ . 1 . ]" 1
33 1 5 TYR H 1 16 GLU H 0.000 . 5.240 3.799 2.862 4.631 . 0 0 "[ . 1 . ]" 1
34 1 5 TYR H 1 16 GLU HA 0.000 . 6.000 5.181 4.688 5.670 . 0 0 "[ . 1 . ]" 1
35 1 5 TYR H 1 17 PHE HA 0.000 . 5.850 3.055 2.386 3.922 . 0 0 "[ . 1 . ]" 1
36 1 5 TYR H 1 17 PHE QB 0.000 . 6.880 3.641 2.373 4.941 . 0 0 "[ . 1 . ]" 1
37 1 5 TYR H 1 18 ILE H 0.000 . 6.000 4.948 4.089 6.017 0.017 15 0 "[ . 1 . ]" 1
38 1 5 TYR H 1 113 ALA HA 0.000 . 6.000 5.647 4.156 6.184 0.184 15 0 "[ . 1 . ]" 1
39 1 5 TYR HA 1 113 ALA H 0.000 . 5.770 3.518 2.072 5.222 . 0 0 "[ . 1 . ]" 1
40 1 5 TYR HB3 1 6 SER H 0.000 . 5.160 2.891 2.524 4.275 . 0 0 "[ . 1 . ]" 1
41 1 5 TYR HB3 1 113 ALA H 0.000 . 6.000 3.882 2.261 5.131 . 0 0 "[ . 1 . ]" 1
42 1 5 TYR HB2 1 6 SER H 0.000 . 5.160 3.721 2.873 4.247 . 0 0 "[ . 1 . ]" 1
43 1 5 TYR HB2 1 113 ALA H 0.000 . 6.000 5.021 2.704 6.024 0.024 12 0 "[ . 1 . ]" 1
44 1 5 TYR QD 1 6 SER H 0.000 . 8.140 3.899 1.462 4.750 . 0 0 "[ . 1 . ]" 1
45 1 5 TYR QD 1 18 ILE QG 0.000 . 9.020 5.153 3.467 7.135 . 0 0 "[ . 1 . ]" 1
46 1 5 TYR QD 1 113 ALA H 0.000 . 8.140 4.391 2.837 5.623 . 0 0 "[ . 1 . ]" 1
47 1 5 TYR QE 1 18 ILE H 0.000 . 8.130 5.101 3.002 6.892 . 0 0 "[ . 1 . ]" 1
48 1 5 TYR QE 1 18 ILE QG 0.000 . 9.010 4.723 2.374 7.007 . 0 0 "[ . 1 . ]" 1
49 1 6 SER H 1 112 PRO HA 0.000 . 4.940 3.766 1.876 4.952 0.012 9 0 "[ . 1 . ]" 1
50 1 6 SER H 1 112 PRO HB3 0.000 . 6.000 3.407 2.148 4.684 . 0 0 "[ . 1 . ]" 1
51 1 6 SER H 1 112 PRO HB2 0.000 . 6.000 2.927 1.333 4.573 . 0 0 "[ . 1 . ]" 1
52 1 6 SER H 1 112 PRO QG 0.000 . 6.880 3.530 1.748 4.696 . 0 0 "[ . 1 . ]" 1
53 1 6 SER H 1 113 ALA H 0.000 . 5.470 2.775 1.572 4.084 . 0 0 "[ . 1 . ]" 1
54 1 6 SER H 1 113 ALA MB 0.000 . 7.030 3.467 1.632 5.017 . 0 0 "[ . 1 . ]" 1
55 1 6 SER HA 1 7 ALA H 0.000 . 3.190 2.287 2.233 2.330 . 0 0 "[ . 1 . ]" 1
56 1 6 SER HA 1 16 GLU H 0.000 . 5.430 2.896 1.972 3.749 . 0 0 "[ . 1 . ]" 1
57 1 7 ALA H 1 8 ARG H 0.000 . 6.000 4.422 4.407 4.428 . 0 0 "[ . 1 . ]" 1
58 1 7 ALA H 1 9 TYR QD 0.000 . 8.140 6.210 5.381 7.264 . 0 0 "[ . 1 . ]" 1
59 1 7 ALA H 1 13 ASP HA 0.000 . 5.510 5.117 4.483 5.537 0.027 17 0 "[ . 1 . ]" 1
60 1 7 ALA H 1 14 VAL H 0.000 . 5.470 3.121 2.488 3.630 . 0 0 "[ . 1 . ]" 1
61 1 7 ALA H 1 15 TYR HA 0.000 . 5.700 2.497 1.563 3.619 . 0 0 "[ . 1 . ]" 1
62 1 7 ALA H 1 15 TYR QB 0.000 . 6.880 4.354 3.418 5.546 . 0 0 "[ . 1 . ]" 1
63 1 7 ALA H 1 16 GLU H 0.000 . 6.000 3.944 3.271 4.890 . 0 0 "[ . 1 . ]" 1
64 1 7 ALA H 1 112 PRO QG 0.000 . 6.880 5.621 4.251 6.211 . 0 0 "[ . 1 . ]" 1
65 1 7 ALA HA 1 8 ARG H 0.000 . 3.570 2.359 2.280 2.412 . 0 0 "[ . 1 . ]" 1
66 1 7 ALA HA 1 14 VAL H 0.000 . 6.000 4.365 4.065 4.721 . 0 0 "[ . 1 . ]" 1
67 1 8 ARG H 1 8 ARG QB 0.000 . 3.890 2.512 2.280 2.769 . 0 0 "[ . 1 . ]" 1
68 1 8 ARG H 1 9 TYR H 0.000 . 5.010 4.177 4.072 4.322 . 0 0 "[ . 1 . ]" 1
69 1 8 ARG H 1 9 TYR QD 0.000 . 8.140 3.746 2.344 4.838 . 0 0 "[ . 1 . ]" 1
70 1 8 ARG H 1 9 TYR QE 0.000 . 8.130 3.697 2.059 5.789 . 0 0 "[ . 1 . ]" 1
71 1 8 ARG HA 1 12 VAL H 0.000 . 6.000 5.214 5.021 5.383 . 0 0 "[ . 1 . ]" 1
72 1 8 ARG HA 1 13 ASP H 0.000 . 4.750 4.164 3.744 4.538 . 0 0 "[ . 1 . ]" 1
73 1 8 ARG HB3 1 9 TYR H 0.000 . 5.470 4.538 4.136 4.676 . 0 0 "[ . 1 . ]" 1
74 1 8 ARG HB3 1 13 ASP H 0.000 . 6.000 5.711 4.808 6.034 0.034 18 0 "[ . 1 . ]" 1
75 1 8 ARG HB2 1 9 TYR H 0.000 . 5.470 4.058 3.623 4.672 . 0 0 "[ . 1 . ]" 1
76 1 8 ARG HB2 1 13 ASP H 0.000 . 6.000 4.247 3.185 5.920 . 0 0 "[ . 1 . ]" 1
77 1 8 ARG QB 1 12 VAL H 0.000 . 6.730 5.628 5.135 6.041 . 0 0 "[ . 1 . ]" 1
78 1 8 ARG QB 1 14 VAL H 0.000 . 6.880 3.473 2.613 4.636 . 0 0 "[ . 1 . ]" 1
79 1 8 ARG QG 1 9 TYR H 0.000 . 6.880 3.384 2.809 4.180 . 0 0 "[ . 1 . ]" 1
80 1 8 ARG QG 1 11 GLY H 0.000 . 6.880 4.761 4.039 5.965 . 0 0 "[ . 1 . ]" 1
81 1 8 ARG QG 1 12 VAL H 0.000 . 6.880 4.871 3.710 5.968 . 0 0 "[ . 1 . ]" 1
82 1 8 ARG QG 1 13 ASP H 0.000 . 6.880 4.803 2.227 6.190 . 0 0 "[ . 1 . ]" 1
83 1 8 ARG QD 1 11 GLY HA3 0.000 . 6.880 5.380 4.582 6.186 . 0 0 "[ . 1 . ]" 1
84 1 8 ARG QD 1 11 GLY HA2 0.000 . 6.880 4.032 3.184 5.003 . 0 0 "[ . 1 . ]" 1
85 1 9 TYR H 1 11 GLY H 0.000 . 5.470 4.765 4.519 5.071 . 0 0 "[ . 1 . ]" 1
86 1 9 TYR H 1 12 VAL H 0.000 . 5.470 3.726 3.503 3.879 . 0 0 "[ . 1 . ]" 1
87 1 9 TYR H 1 12 VAL HB 0.000 . 4.860 4.306 3.094 4.831 . 0 0 "[ . 1 . ]" 1
88 1 9 TYR H 1 13 ASP H 0.000 . 5.700 4.683 4.205 4.971 . 0 0 "[ . 1 . ]" 1
89 1 9 TYR H 1 13 ASP HA 0.000 . 4.020 2.919 2.208 3.723 . 0 0 "[ . 1 . ]" 1
90 1 9 TYR H 1 14 VAL H 0.000 . 6.000 3.920 3.663 4.177 . 0 0 "[ . 1 . ]" 1
91 1 9 TYR HA 1 11 GLY H 0.000 . 6.000 3.523 3.324 3.784 . 0 0 "[ . 1 . ]" 1
92 1 9 TYR HB3 1 10 SER H 0.000 . 6.000 2.773 2.451 3.673 . 0 0 "[ . 1 . ]" 1
93 1 9 TYR HB2 1 10 SER H 0.000 . 6.000 3.623 2.411 4.159 . 0 0 "[ . 1 . ]" 1
94 1 9 TYR QD 1 10 SER H 0.000 . 8.140 3.717 2.785 4.474 . 0 0 "[ . 1 . ]" 1
95 1 9 TYR QD 1 14 VAL QG 0.000 . 9.850 3.029 1.858 4.544 . 0 0 "[ . 1 . ]" 1
96 1 9 TYR QD 1 72 TYR H 0.000 . 8.140 6.506 5.672 7.506 . 0 0 "[ . 1 . ]" 1
97 1 9 TYR QE 1 14 VAL QG 0.000 . 9.880 3.796 1.465 5.661 . 0 0 "[ . 1 . ]" 1
98 1 9 TYR QE 1 25 MET ME 0.000 . 8.170 3.285 1.353 5.383 . 0 0 "[ . 1 . ]" 1
99 1 10 SER H 1 11 GLY H 0.000 . 6.000 2.805 2.744 2.862 . 0 0 "[ . 1 . ]" 1
100 1 10 SER H 1 12 VAL H 0.000 . 6.000 4.174 4.084 4.252 . 0 0 "[ . 1 . ]" 1
101 1 10 SER H 1 69 PHE HB3 0.000 . 6.000 4.475 3.347 6.002 0.002 10 0 "[ . 1 . ]" 1
102 1 10 SER H 1 69 PHE HB2 0.000 . 6.000 4.926 3.463 6.009 0.009 15 0 "[ . 1 . ]" 1
103 1 10 SER HA 1 12 VAL H 0.000 . 6.000 4.078 4.008 4.142 . 0 0 "[ . 1 . ]" 1
104 1 10 SER HB3 1 69 PHE H 0.000 . 6.000 5.930 5.411 6.022 0.022 12 0 "[ . 1 . ]" 1
105 1 10 SER HB2 1 69 PHE H 0.000 . 6.000 5.983 5.811 6.021 0.021 13 0 "[ . 1 . ]" 1
106 1 11 GLY H 1 12 VAL H 0.000 . 4.900 2.771 2.685 2.810 . 0 0 "[ . 1 . ]" 1
107 1 12 VAL H 1 12 VAL HB 0.000 . 4.100 2.678 2.004 3.440 . 0 0 "[ . 1 . ]" 1
108 1 12 VAL H 1 13 ASP H 0.000 . 6.000 4.471 4.390 4.635 . 0 0 "[ . 1 . ]" 1
109 1 12 VAL HA 1 13 ASP H 0.000 . 2.770 2.263 2.221 2.323 . 0 0 "[ . 1 . ]" 1
110 1 12 VAL HB 1 13 ASP H 0.000 . 5.660 3.984 3.190 4.513 . 0 0 "[ . 1 . ]" 1
111 1 12 VAL MG1 1 13 ASP H 0.000 . 7.030 2.676 2.024 3.545 . 0 0 "[ . 1 . ]" 1
112 1 12 VAL MG2 1 13 ASP H 0.000 . 7.030 4.002 3.115 4.404 . 0 0 "[ . 1 . ]" 1
113 1 13 ASP H 1 14 VAL H 0.000 . 5.700 4.579 4.376 4.654 . 0 0 "[ . 1 . ]" 1
114 1 13 ASP H 1 28 LYS H 0.000 . 5.320 3.981 2.624 5.292 . 0 0 "[ . 1 . ]" 1
115 1 13 ASP H 1 29 LYS H 0.000 . 6.200 4.789 3.523 5.746 . 0 0 "[ . 1 . ]" 1
116 1 14 VAL H 1 15 TYR H 0.000 . 6.000 4.434 4.420 4.484 . 0 0 "[ . 1 . ]" 1
117 1 14 VAL H 1 28 LYS H 0.000 . 5.350 4.938 4.313 5.373 0.023 19 0 "[ . 1 . ]" 1
118 1 14 VAL HA 1 26 LYS H 0.000 . 6.000 3.824 3.235 4.601 . 0 0 "[ . 1 . ]" 1
119 1 14 VAL HA 1 27 ARG H 0.000 . 6.000 4.941 4.086 5.623 . 0 0 "[ . 1 . ]" 1
120 1 14 VAL HA 1 28 LYS H 0.000 . 5.050 3.298 2.740 3.867 . 0 0 "[ . 1 . ]" 1
121 1 14 VAL HB 1 15 TYR H 0.000 . 4.520 2.571 2.273 3.514 . 0 0 "[ . 1 . ]" 1
122 1 14 VAL MG1 1 15 TYR H 0.000 . 7.030 3.543 1.571 4.076 . 0 0 "[ . 1 . ]" 1
123 1 14 VAL MG2 1 15 TYR H 0.000 . 7.030 3.095 1.454 3.928 . 0 0 "[ . 1 . ]" 1
124 1 14 VAL QG 1 16 GLU H 0.000 . 8.590 4.637 3.912 5.542 . 0 0 "[ . 1 . ]" 1
125 1 14 VAL QG 1 25 MET H 0.000 . 8.590 4.943 3.829 5.778 . 0 0 "[ . 1 . ]" 1
126 1 14 VAL QG 1 26 LYS H 0.000 . 8.590 2.947 1.386 4.118 . 0 0 "[ . 1 . ]" 1
127 1 14 VAL QG 1 28 LYS H 0.000 . 8.590 2.601 1.497 4.176 . 0 0 "[ . 1 . ]" 1
128 1 15 TYR H 1 25 MET HA 0.000 . 6.000 3.249 2.774 3.777 . 0 0 "[ . 1 . ]" 1
129 1 15 TYR H 1 26 LYS H 0.000 . 5.700 1.858 1.372 2.463 . 0 0 "[ . 1 . ]" 1
130 1 15 TYR H 1 27 ARG HA 0.000 . 5.810 5.121 4.254 5.645 . 0 0 "[ . 1 . ]" 1
131 1 15 TYR H 1 28 LYS H 0.000 . 6.000 5.559 4.895 5.983 . 0 0 "[ . 1 . ]" 1
132 1 15 TYR HA 1 16 GLU H 0.000 . 2.920 2.298 2.243 2.345 . 0 0 "[ . 1 . ]" 1
133 1 15 TYR QB 1 17 PHE H 0.000 . 6.880 4.813 4.448 5.722 . 0 0 "[ . 1 . ]" 1
134 1 15 TYR QD 1 16 GLU H 0.000 . 8.140 4.311 2.475 4.762 . 0 0 "[ . 1 . ]" 1
135 1 15 TYR QD 1 25 MET H 0.000 . 8.140 6.848 4.952 7.479 . 0 0 "[ . 1 . ]" 1
136 1 15 TYR QD 1 26 LYS H 0.000 . 8.140 3.485 2.174 4.218 . 0 0 "[ . 1 . ]" 1
137 1 15 TYR QD 1 27 ARG H 0.000 . 8.140 5.426 4.178 6.498 . 0 0 "[ . 1 . ]" 1
138 1 15 TYR QE 1 16 GLU H 0.000 . 8.130 6.409 4.703 6.812 . 0 0 "[ . 1 . ]" 1
139 1 15 TYR QE 1 26 LYS H 0.000 . 8.130 4.962 4.144 5.563 . 0 0 "[ . 1 . ]" 1
140 1 15 TYR QE 1 27 ARG H 0.000 . 8.130 5.303 3.986 6.596 . 0 0 "[ . 1 . ]" 1
141 1 16 GLU H 1 17 PHE H 0.000 . 6.000 4.265 4.022 4.388 . 0 0 "[ . 1 . ]" 1
142 1 16 GLU H 1 24 ILE HB 0.000 . 6.500 6.409 6.016 6.540 0.040 19 0 "[ . 1 . ]" 1
143 1 16 GLU H 1 25 MET HA 0.000 . 6.000 4.257 3.822 4.504 . 0 0 "[ . 1 . ]" 1
144 1 16 GLU H 1 26 LYS H 0.000 . 5.580 5.144 4.441 5.620 0.040 17 0 "[ . 1 . ]" 1
145 1 16 GLU HA 1 24 ILE H 0.000 . 4.970 3.307 2.885 3.636 . 0 0 "[ . 1 . ]" 1
146 1 16 GLU HA 1 25 MET H 0.000 . 6.000 4.096 3.666 4.423 . 0 0 "[ . 1 . ]" 1
147 1 16 GLU HA 1 26 LYS H 0.000 . 5.240 4.511 3.842 5.138 . 0 0 "[ . 1 . ]" 1
148 1 16 GLU QB 1 23 SER H 0.000 . 6.880 5.998 5.552 6.197 . 0 0 "[ . 1 . ]" 1
149 1 16 GLU QB 1 26 LYS H 0.000 . 6.880 5.546 4.796 6.168 . 0 0 "[ . 1 . ]" 1
150 1 17 PHE H 1 18 ILE H 0.000 . 6.000 4.432 4.376 4.527 . 0 0 "[ . 1 . ]" 1
151 1 17 PHE H 1 23 SER HA 0.000 . 4.630 3.470 3.147 4.345 . 0 0 "[ . 1 . ]" 1
152 1 17 PHE H 1 24 ILE HA 0.000 . 6.000 3.842 3.638 4.029 . 0 0 "[ . 1 . ]" 1
153 1 17 PHE H 1 24 ILE HB 0.000 . 6.000 2.647 2.305 2.963 . 0 0 "[ . 1 . ]" 1
154 1 17 PHE H 1 24 ILE MG 0.000 . 7.030 3.803 3.061 4.291 . 0 0 "[ . 1 . ]" 1
155 1 17 PHE H 1 25 MET HA 0.000 . 6.000 4.062 3.569 4.388 . 0 0 "[ . 1 . ]" 1
156 1 17 PHE HA 1 18 ILE H 0.000 . 3.110 2.279 2.253 2.339 . 0 0 "[ . 1 . ]" 1
157 1 17 PHE HB3 1 18 ILE H 0.000 . 6.000 3.675 2.954 4.283 . 0 0 "[ . 1 . ]" 1
158 1 17 PHE HB3 1 98 LEU H 0.000 . 6.000 5.538 4.663 6.033 0.033 16 0 "[ . 1 . ]" 1
159 1 17 PHE HB2 1 18 ILE H 0.000 . 6.000 3.812 3.197 4.312 . 0 0 "[ . 1 . ]" 1
160 1 17 PHE HB2 1 98 LEU H 0.000 . 6.500 5.685 4.482 6.344 . 0 0 "[ . 1 . ]" 1
161 1 17 PHE QB 1 24 ILE H 0.000 . 6.880 3.165 2.675 3.488 . 0 0 "[ . 1 . ]" 1
162 1 17 PHE QB 1 25 MET H 0.000 . 7.380 6.160 5.420 6.613 . 0 0 "[ . 1 . ]" 1
163 1 17 PHE QD 1 18 ILE H 0.000 . 8.120 3.715 1.542 4.813 . 0 0 "[ . 1 . ]" 1
164 1 17 PHE QD 1 19 HIS H 0.000 . 8.120 5.738 3.533 7.127 . 0 0 "[ . 1 . ]" 1
165 1 17 PHE QD 1 24 ILE H 0.000 . 8.120 3.854 2.845 4.580 . 0 0 "[ . 1 . ]" 1
166 1 17 PHE QD 1 98 LEU H 0.000 . 8.120 5.072 2.463 6.851 . 0 0 "[ . 1 . ]" 1
167 1 18 ILE H 1 18 ILE HB 0.000 . 3.490 2.371 1.976 3.550 0.060 12 0 "[ . 1 . ]" 1
168 1 18 ILE H 1 19 HIS H 0.000 . 6.000 4.587 4.547 4.621 . 0 0 "[ . 1 . ]" 1
169 1 18 ILE H 1 23 SER HA 0.000 . 6.000 3.484 3.341 3.580 . 0 0 "[ . 1 . ]" 1
170 1 18 ILE H 1 24 ILE H 0.000 . 6.000 4.170 3.760 4.402 . 0 0 "[ . 1 . ]" 1
171 1 18 ILE HA 1 21 THR H 0.000 . 5.770 5.878 5.836 5.917 0.147 19 0 "[ . 1 . ]" 1
172 1 18 ILE HA 1 22 GLY H 0.000 . 5.350 4.350 4.188 4.648 . 0 0 "[ . 1 . ]" 1
173 1 18 ILE HA 1 23 SER H 0.000 . 6.000 3.489 3.301 3.759 . 0 0 "[ . 1 . ]" 1
174 1 18 ILE HA 1 24 ILE H 0.000 . 5.580 3.658 3.061 4.004 . 0 0 "[ . 1 . ]" 1
175 1 18 ILE HB 1 19 HIS H 0.000 . 6.000 4.222 3.417 4.504 . 0 0 "[ . 1 . ]" 1
176 1 18 ILE MG 1 22 GLY H 0.000 . 7.030 4.105 3.669 5.634 . 0 0 "[ . 1 . ]" 1
177 1 18 ILE QG 1 19 HIS H 0.000 . 6.880 4.295 3.053 4.890 . 0 0 "[ . 1 . ]" 1
178 1 18 ILE MD 1 19 HIS H 0.000 . 7.030 3.621 2.131 4.323 . 0 0 "[ . 1 . ]" 1
179 1 18 ILE MD 1 22 GLY H 0.000 . 7.030 4.979 3.103 5.656 . 0 0 "[ . 1 . ]" 1
180 1 18 ILE MD 1 23 SER H 0.000 . 7.030 3.193 2.488 5.700 . 0 0 "[ . 1 . ]" 1
181 1 18 ILE MD 1 24 ILE H 0.000 . 7.030 4.074 3.064 5.358 . 0 0 "[ . 1 . ]" 1
182 1 19 HIS H 1 20 SER H 0.000 . 6.000 4.058 4.010 4.119 . 0 0 "[ . 1 . ]" 1
183 1 19 HIS H 1 21 THR H 0.000 . 5.280 3.869 3.801 3.907 . 0 0 "[ . 1 . ]" 1
184 1 19 HIS H 1 22 GLY H 0.000 . 4.860 2.543 2.348 2.826 . 0 0 "[ . 1 . ]" 1
185 1 19 HIS H 1 23 SER H 0.000 . 4.100 4.157 4.110 4.182 0.082 10 0 "[ . 1 . ]" 1
186 1 19 HIS H 1 23 SER HA 0.000 . 5.010 3.640 3.215 3.906 . 0 0 "[ . 1 . ]" 1
187 1 19 HIS H 1 24 ILE H 0.000 . 6.000 4.670 4.283 4.989 . 0 0 "[ . 1 . ]" 1
188 1 19 HIS HA 1 21 THR H 0.000 . 5.510 4.779 4.654 4.856 . 0 0 "[ . 1 . ]" 1
189 1 19 HIS HA 1 22 GLY H 0.000 . 4.750 4.353 4.215 4.558 . 0 0 "[ . 1 . ]" 1
190 1 19 HIS HB3 1 20 SER H 0.000 . 6.000 1.850 1.474 2.561 . 0 0 "[ . 1 . ]" 1
191 1 19 HIS HB3 1 21 THR H 0.000 . 6.000 3.044 2.597 3.725 . 0 0 "[ . 1 . ]" 1
192 1 19 HIS HB3 1 22 GLY H 0.000 . 5.470 4.032 3.667 4.668 . 0 0 "[ . 1 . ]" 1
193 1 19 HIS HB2 1 20 SER H 0.000 . 6.000 3.127 2.540 3.445 . 0 0 "[ . 1 . ]" 1
194 1 19 HIS HB2 1 21 THR H 0.000 . 6.000 3.903 3.011 4.671 . 0 0 "[ . 1 . ]" 1
195 1 19 HIS HB2 1 22 GLY H 0.000 . 5.470 4.353 3.685 5.061 . 0 0 "[ . 1 . ]" 1
196 1 19 HIS QB 1 20 SER H 0.000 . 5.880 1.831 1.471 2.486 . 0 0 "[ . 1 . ]" 1
197 1 19 HIS QB 1 22 GLY H 0.000 . 5.190 3.617 3.488 3.881 . 0 0 "[ . 1 . ]" 1
198 1 19 HIS QB 1 24 ILE MD 0.000 . 5.890 1.957 1.333 3.629 . 0 0 "[ . 1 . ]" 1
199 1 20 SER H 1 21 THR H 0.000 . 4.750 2.646 2.579 2.696 . 0 0 "[ . 1 . ]" 1
200 1 20 SER H 1 94 GLN QB 0.000 . 6.120 4.220 3.415 5.034 . 0 0 "[ . 1 . ]" 1
201 1 21 THR H 1 22 GLY H 0.000 . 4.330 2.508 2.413 2.605 . 0 0 "[ . 1 . ]" 1
202 1 21 THR H 1 23 SER H 0.000 . 6.000 5.971 5.656 6.047 0.047 1 0 "[ . 1 . ]" 1
203 1 21 THR H 1 37 HIS H 0.000 . 6.000 5.115 4.690 5.571 . 0 0 "[ . 1 . ]" 1
204 1 21 THR H 1 41 ALA HA 0.000 . 4.940 4.547 3.935 4.942 0.002 9 0 "[ . 1 . ]" 1
205 1 21 THR HB 1 36 THR H 0.000 . 6.500 5.925 5.424 6.420 . 0 0 "[ . 1 . ]" 1
206 1 21 THR MG 1 22 GLY H 0.000 . 7.030 3.436 2.913 4.436 . 0 0 "[ . 1 . ]" 1
207 1 21 THR MG 1 23 SER H 0.000 . 7.030 4.223 3.288 5.793 . 0 0 "[ . 1 . ]" 1
208 1 22 GLY H 1 23 SER H 0.000 . 5.320 4.405 4.259 4.440 . 0 0 "[ . 1 . ]" 1
209 1 23 SER H 1 24 ILE H 0.000 . 5.810 4.606 4.565 4.622 . 0 0 "[ . 1 . ]" 1
210 1 23 SER H 1 71 LYS QD 0.000 . 6.880 6.154 5.978 6.204 . 0 0 "[ . 1 . ]" 1
211 1 23 SER HA 1 25 MET H 0.000 . 6.000 6.049 6.019 6.081 0.081 15 0 "[ . 1 . ]" 1
212 1 23 SER QB 1 25 MET H 0.000 . 6.880 5.266 4.909 5.788 . 0 0 "[ . 1 . ]" 1
213 1 24 ILE HB 1 25 MET H 0.000 . 6.000 4.298 4.027 4.509 . 0 0 "[ . 1 . ]" 1
214 1 24 ILE MG 1 25 MET H 0.000 . 7.030 2.769 2.641 3.027 . 0 0 "[ . 1 . ]" 1
215 1 24 ILE MG 1 26 LYS H 0.000 . 7.030 4.449 3.751 5.278 . 0 0 "[ . 1 . ]" 1
216 1 24 ILE MG 1 33 VAL H 0.000 . 7.030 5.750 5.441 5.930 . 0 0 "[ . 1 . ]" 1
217 1 24 ILE MG 1 37 HIS HB3 0.000 . 6.760 2.742 1.431 3.869 . 0 0 "[ . 1 . ]" 1
218 1 24 ILE MG 1 37 HIS HB2 0.000 . 6.760 2.900 2.082 4.185 . 0 0 "[ . 1 . ]" 1
219 1 24 ILE MG 1 37 HIS QB 0.000 . 6.190 2.452 1.422 3.437 . 0 0 "[ . 1 . ]" 1
220 1 24 ILE QG 1 25 MET H 0.000 . 6.880 4.338 3.794 4.919 . 0 0 "[ . 1 . ]" 1
221 1 24 ILE MD 1 25 MET H 0.000 . 7.030 4.624 3.526 5.368 . 0 0 "[ . 1 . ]" 1
222 1 25 MET H 1 25 MET ME 0.000 . 7.030 5.040 3.883 5.799 . 0 0 "[ . 1 . ]" 1
223 1 25 MET H 1 26 LYS H 0.000 . 5.730 4.442 4.363 4.576 . 0 0 "[ . 1 . ]" 1
224 1 25 MET H 1 34 ASN H 0.000 . 6.000 4.215 3.902 4.631 . 0 0 "[ . 1 . ]" 1
225 1 25 MET H 1 34 ASN QB 0.000 . 6.880 3.421 2.652 4.353 . 0 0 "[ . 1 . ]" 1
226 1 25 MET H 1 72 TYR QD 0.000 . 8.640 5.026 4.675 5.617 . 0 0 "[ . 1 . ]" 1
227 1 25 MET QG 1 26 LYS H 0.000 . 6.880 3.289 1.859 4.437 . 0 0 "[ . 1 . ]" 1
228 1 26 LYS H 1 73 GLN QG 0.000 . 6.880 4.306 3.542 6.091 . 0 0 "[ . 1 . ]" 1
229 1 26 LYS HA 1 34 ASN H 0.000 . 6.000 4.218 3.555 4.930 . 0 0 "[ . 1 . ]" 1
230 1 26 LYS HB3 1 27 ARG H 0.000 . 5.350 3.517 2.603 4.228 . 0 0 "[ . 1 . ]" 1
231 1 26 LYS HB2 1 27 ARG H 0.000 . 5.350 3.640 2.558 4.418 . 0 0 "[ . 1 . ]" 1
232 1 26 LYS QB 1 27 ARG H 0.000 . 5.200 3.018 2.525 3.581 . 0 0 "[ . 1 . ]" 1
233 1 27 ARG H 1 28 LYS H 0.000 . 6.000 4.552 4.397 4.605 . 0 0 "[ . 1 . ]" 1
234 1 27 ARG H 1 31 ASP H 0.000 . 6.000 4.469 3.709 5.102 . 0 0 "[ . 1 . ]" 1
235 1 27 ARG H 1 31 ASP HA 0.000 . 6.000 3.587 2.355 4.459 . 0 0 "[ . 1 . ]" 1
236 1 27 ARG H 1 32 TRP H 0.000 . 6.000 2.184 1.614 2.899 . 0 0 "[ . 1 . ]" 1
237 1 27 ARG H 1 32 TRP HA 0.000 . 5.700 4.249 3.679 4.918 . 0 0 "[ . 1 . ]" 1
238 1 27 ARG HA 1 29 LYS H 0.000 . 6.000 4.015 3.618 4.258 . 0 0 "[ . 1 . ]" 1
239 1 27 ARG QB 1 29 LYS H 0.000 . 6.880 3.594 3.219 4.241 . 0 0 "[ . 1 . ]" 1
240 1 27 ARG QB 1 76 TRP HE1 0.000 . 6.880 5.838 5.369 6.141 . 0 0 "[ . 1 . ]" 1
241 1 28 LYS H 1 29 LYS H 0.000 . 5.580 2.676 2.584 2.767 . 0 0 "[ . 1 . ]" 1
242 1 28 LYS H 1 30 ASP H 0.000 . 6.000 4.777 4.537 5.118 . 0 0 "[ . 1 . ]" 1
243 1 28 LYS H 1 31 ASP HA 0.000 . 5.240 4.769 4.471 5.284 0.044 11 0 "[ . 1 . ]" 1
244 1 28 LYS HA 1 28 LYS QB 0.000 . 2.520 2.367 2.178 2.539 0.019 11 0 "[ . 1 . ]" 1
245 1 28 LYS HA 1 30 ASP H 0.000 . 4.860 4.815 4.542 4.923 0.063 18 0 "[ . 1 . ]" 1
246 1 28 LYS QB 1 29 LYS H 0.000 . 5.320 2.610 2.433 2.913 . 0 0 "[ . 1 . ]" 1
247 1 28 LYS QB 1 30 ASP H 0.000 . 5.820 5.140 4.871 5.251 . 0 0 "[ . 1 . ]" 1
248 1 28 LYS QB 1 32 TRP HE1 0.000 . 7.380 5.971 4.801 6.555 . 0 0 "[ . 1 . ]" 1
249 1 29 LYS H 1 29 LYS HB3 0.000 . 4.020 3.462 2.700 3.543 . 0 0 "[ . 1 . ]" 1
250 1 29 LYS H 1 29 LYS HB2 0.000 . 4.020 2.459 2.098 3.514 . 0 0 "[ . 1 . ]" 1
251 1 29 LYS H 1 29 LYS QB 0.000 . 3.790 2.365 2.081 2.830 . 0 0 "[ . 1 . ]" 1
252 1 29 LYS H 1 30 ASP H 0.000 . 5.130 3.094 2.865 3.277 . 0 0 "[ . 1 . ]" 1
253 1 29 LYS H 1 31 ASP H 0.000 . 6.000 3.821 3.516 4.645 . 0 0 "[ . 1 . ]" 1
254 1 29 LYS HA 1 29 LYS HB3 0.000 . 2.660 2.538 2.294 2.671 0.011 12 0 "[ . 1 . ]" 1
255 1 29 LYS HA 1 31 ASP H 0.000 . 5.510 4.561 4.300 5.623 0.113 2 0 "[ . 1 . ]" 1
256 1 29 LYS HB3 1 30 ASP H 0.000 . 5.350 3.090 2.655 3.833 . 0 0 "[ . 1 . ]" 1
257 1 29 LYS HB3 1 31 ASP H 0.000 . 5.810 5.068 4.824 5.457 . 0 0 "[ . 1 . ]" 1
258 1 29 LYS HB3 1 32 TRP HE1 0.000 . 6.000 3.740 2.919 4.436 . 0 0 "[ . 1 . ]" 1
259 1 29 LYS HB2 1 30 ASP H 0.000 . 5.350 2.267 1.945 2.991 . 0 0 "[ . 1 . ]" 1
260 1 29 LYS HB2 1 31 ASP H 0.000 . 5.810 4.244 4.077 4.940 . 0 0 "[ . 1 . ]" 1
261 1 29 LYS HB2 1 32 TRP HE1 0.000 . 6.000 2.737 1.950 3.577 . 0 0 "[ . 1 . ]" 1
262 1 29 LYS QB 1 30 ASP H 0.000 . 5.110 2.196 1.931 2.891 . 0 0 "[ . 1 . ]" 1
263 1 29 LYS QB 1 31 ASP H 0.000 . 5.410 4.033 3.927 4.592 . 0 0 "[ . 1 . ]" 1
264 1 30 ASP H 1 31 ASP H 0.000 . 4.020 2.304 2.116 2.558 . 0 0 "[ . 1 . ]" 1
265 1 30 ASP H 1 32 TRP H 0.000 . 5.470 3.862 3.494 4.237 . 0 0 "[ . 1 . ]" 1
266 1 30 ASP H 1 32 TRP HD1 0.000 . 4.400 3.204 2.467 4.213 . 0 0 "[ . 1 . ]" 1
267 1 30 ASP H 1 32 TRP HE1 0.000 . 6.000 1.544 1.339 2.391 . 0 0 "[ . 1 . ]" 1
268 1 30 ASP HB3 1 32 TRP HD1 0.000 . 6.000 3.678 2.385 5.630 . 0 0 "[ . 1 . ]" 1
269 1 30 ASP HB3 1 32 TRP HE1 0.000 . 6.000 2.531 1.368 4.594 . 0 0 "[ . 1 . ]" 1
270 1 30 ASP HB2 1 32 TRP HD1 0.000 . 6.000 4.252 3.463 5.655 . 0 0 "[ . 1 . ]" 1
271 1 30 ASP HB2 1 32 TRP HE1 0.000 . 6.000 2.218 1.361 4.031 . 0 0 "[ . 1 . ]" 1
272 1 31 ASP H 1 32 TRP H 0.000 . 3.610 2.996 2.066 3.280 . 0 0 "[ . 1 . ]" 1
273 1 31 ASP H 1 32 TRP HD1 0.000 . 6.000 3.029 2.366 3.766 . 0 0 "[ . 1 . ]" 1
274 1 31 ASP HB3 1 79 LEU HB3 0.000 . 6.000 3.420 1.919 5.063 . 0 0 "[ . 1 . ]" 1
275 1 31 ASP HB3 1 79 LEU HB2 0.000 . 6.000 4.051 3.076 5.404 . 0 0 "[ . 1 . ]" 1
276 1 31 ASP HB3 1 79 LEU MD1 0.000 . 6.230 3.513 1.853 5.135 . 0 0 "[ . 1 . ]" 1
277 1 31 ASP HB3 1 79 LEU MD2 0.000 . 6.230 3.335 1.697 5.039 . 0 0 "[ . 1 . ]" 1
278 1 31 ASP HB2 1 79 LEU HB3 0.000 . 6.000 3.271 1.879 5.847 . 0 0 "[ . 1 . ]" 1
279 1 31 ASP HB2 1 79 LEU HB2 0.000 . 6.000 4.192 2.609 5.846 . 0 0 "[ . 1 . ]" 1
280 1 31 ASP HB2 1 79 LEU MD1 0.000 . 6.230 3.535 1.816 4.927 . 0 0 "[ . 1 . ]" 1
281 1 31 ASP HB2 1 79 LEU MD2 0.000 . 6.230 3.077 1.681 5.222 . 0 0 "[ . 1 . ]" 1
282 1 31 ASP QB 1 79 LEU QB 0.000 . 5.580 2.538 1.841 3.461 . 0 0 "[ . 1 . ]" 1
283 1 31 ASP QB 1 79 LEU QD 0.000 . 5.320 2.261 1.479 3.435 . 0 0 "[ . 1 . ]" 1
284 1 32 TRP H 1 32 TRP HD1 0.000 . 6.000 1.441 1.325 1.762 . 0 0 "[ . 1 . ]" 1
285 1 32 TRP H 1 32 TRP HE1 0.000 . 6.000 3.533 3.268 3.884 . 0 0 "[ . 1 . ]" 1
286 1 32 TRP H 1 33 VAL H 0.000 . 6.000 4.646 4.600 4.672 . 0 0 "[ . 1 . ]" 1
287 1 32 TRP H 1 79 LEU H 0.000 . 6.000 4.221 3.807 4.747 . 0 0 "[ . 1 . ]" 1
288 1 32 TRP HA 1 77 VAL H 0.000 . 5.920 3.629 3.487 3.724 . 0 0 "[ . 1 . ]" 1
289 1 32 TRP HA 1 79 LEU H 0.000 . 4.940 2.228 1.988 2.597 . 0 0 "[ . 1 . ]" 1
290 1 32 TRP HB3 1 33 VAL H 0.000 . 5.320 2.953 2.792 3.193 . 0 0 "[ . 1 . ]" 1
291 1 32 TRP HB3 1 79 LEU H 0.000 . 6.000 4.402 4.118 4.734 . 0 0 "[ . 1 . ]" 1
292 1 32 TRP HB2 1 33 VAL H 0.000 . 5.320 3.439 3.165 3.703 . 0 0 "[ . 1 . ]" 1
293 1 32 TRP HB2 1 79 LEU H 0.000 . 6.000 5.130 4.891 5.480 . 0 0 "[ . 1 . ]" 1
294 1 32 TRP QB 1 33 VAL H 0.000 . 5.060 2.778 2.715 2.849 . 0 0 "[ . 1 . ]" 1
295 1 32 TRP QB 1 79 LEU H 0.000 . 5.550 4.158 3.924 4.369 . 0 0 "[ . 1 . ]" 1
296 1 32 TRP QB 1 80 ASN H 0.000 . 7.380 6.415 6.064 6.599 . 0 0 "[ . 1 . ]" 1
297 1 32 TRP HD1 1 33 VAL H 0.000 . 6.000 5.456 4.979 5.666 . 0 0 "[ . 1 . ]" 1
298 1 32 TRP HD1 1 79 LEU H 0.000 . 6.000 5.130 3.325 6.004 0.004 14 0 "[ . 1 . ]" 1
299 1 32 TRP HZ3 1 61 THR MG 0.000 . 4.560 2.085 1.344 3.458 . 0 0 "[ . 1 . ]" 1
300 1 32 TRP HZ2 1 61 THR MG 0.000 . 6.530 4.437 3.571 5.072 . 0 0 "[ . 1 . ]" 1
301 1 33 VAL H 1 76 TRP HA 0.000 . 6.000 3.703 3.254 3.974 . 0 0 "[ . 1 . ]" 1
302 1 33 VAL H 1 76 TRP QB 0.000 . 6.880 3.237 2.919 3.819 . 0 0 "[ . 1 . ]" 1
303 1 33 VAL H 1 76 TRP HD1 0.000 . 6.000 5.853 5.576 6.077 0.077 13 0 "[ . 1 . ]" 1
304 1 33 VAL H 1 77 VAL H 0.000 . 4.970 1.598 1.351 1.855 . 0 0 "[ . 1 . ]" 1
305 1 33 VAL H 1 79 LEU H 0.000 . 6.000 3.831 3.607 4.314 . 0 0 "[ . 1 . ]" 1
306 1 33 VAL H 1 82 ALA MB 0.000 . 7.030 2.991 2.586 3.486 . 0 0 "[ . 1 . ]" 1
307 1 33 VAL HA 1 77 VAL H 0.000 . 5.700 3.425 3.105 3.778 . 0 0 "[ . 1 . ]" 1
308 1 33 VAL HB 1 34 ASN H 0.000 . 5.890 4.013 3.517 4.380 . 0 0 "[ . 1 . ]" 1
309 1 33 VAL HB 1 79 LEU H 0.000 . 6.000 4.828 3.991 6.014 0.014 14 0 "[ . 1 . ]" 1
310 1 33 VAL HB 1 82 ALA H 0.000 . 6.000 5.496 4.334 6.009 0.009 7 0 "[ . 1 . ]" 1
311 1 33 VAL MG1 1 34 ASN H 0.000 . 7.030 2.995 2.178 4.264 . 0 0 "[ . 1 . ]" 1
312 1 33 VAL MG1 1 35 ALA H 0.000 . 7.030 4.203 3.309 5.457 . 0 0 "[ . 1 . ]" 1
313 1 33 VAL MG1 1 79 LEU H 0.000 . 7.030 4.935 2.561 5.879 . 0 0 "[ . 1 . ]" 1
314 1 33 VAL MG2 1 34 ASN H 0.000 . 7.030 3.108 2.126 4.345 . 0 0 "[ . 1 . ]" 1
315 1 33 VAL MG2 1 35 ALA H 0.000 . 7.030 5.223 3.407 5.848 . 0 0 "[ . 1 . ]" 1
316 1 33 VAL MG2 1 79 LEU H 0.000 . 7.030 4.557 2.606 5.908 . 0 0 "[ . 1 . ]" 1
317 1 33 VAL QG 1 36 THR H 0.000 . 8.590 5.037 4.485 5.963 . 0 0 "[ . 1 . ]" 1
318 1 33 VAL QG 1 80 ASN H 0.000 . 8.590 5.248 4.203 6.413 . 0 0 "[ . 1 . ]" 1
319 1 34 ASN H 1 37 HIS H 0.000 . 5.890 4.728 4.549 4.900 . 0 0 "[ . 1 . ]" 1
320 1 34 ASN H 1 76 TRP HA 0.000 . 6.000 3.119 2.639 3.723 . 0 0 "[ . 1 . ]" 1
321 1 34 ASN HA 1 35 ALA MB 0.000 . 7.030 3.921 3.867 3.975 . 0 0 "[ . 1 . ]" 1
322 1 34 ASN HA 1 36 THR H 0.000 . 5.510 3.465 3.392 3.523 . 0 0 "[ . 1 . ]" 1
323 1 34 ASN HA 1 37 HIS H 0.000 . 5.010 4.573 4.448 4.727 . 0 0 "[ . 1 . ]" 1
324 1 34 ASN HA 1 76 TRP H 0.000 . 6.000 3.208 2.731 4.079 . 0 0 "[ . 1 . ]" 1
325 1 34 ASN HA 1 76 TRP HA 0.000 . 3.070 1.680 1.360 2.499 . 0 0 "[ . 1 . ]" 1
326 1 34 ASN HA 1 77 VAL H 0.000 . 5.130 3.878 3.678 4.071 . 0 0 "[ . 1 . ]" 1
327 1 35 ALA H 1 36 THR H 0.000 . 4.820 2.939 2.868 2.996 . 0 0 "[ . 1 . ]" 1
328 1 35 ALA H 1 37 HIS H 0.000 . 5.700 4.740 4.635 4.928 . 0 0 "[ . 1 . ]" 1
329 1 35 ALA H 1 75 THR H 0.000 . 6.000 4.324 3.965 4.602 . 0 0 "[ . 1 . ]" 1
330 1 35 ALA H 1 76 TRP H 0.000 . 6.000 4.110 3.823 4.639 . 0 0 "[ . 1 . ]" 1
331 1 35 ALA H 1 76 TRP HA 0.000 . 4.750 2.399 2.088 3.202 . 0 0 "[ . 1 . ]" 1
332 1 35 ALA H 1 77 VAL H 0.000 . 3.530 3.557 3.534 3.578 0.048 16 0 "[ . 1 . ]" 1
333 1 35 ALA H 1 77 VAL QG 0.000 . 8.590 2.157 1.900 2.431 . 0 0 "[ . 1 . ]" 1
334 1 35 ALA HA 1 37 HIS H 0.000 . 5.920 4.463 4.269 4.655 . 0 0 "[ . 1 . ]" 1
335 1 35 ALA HA 1 38 ILE H 0.000 . 5.090 3.215 3.129 3.319 . 0 0 "[ . 1 . ]" 1
336 1 35 ALA HA 1 38 ILE HB 0.000 . 3.260 2.258 2.161 3.299 0.039 13 0 "[ . 1 . ]" 1
337 1 35 ALA HA 1 38 ILE MG 0.000 . 3.870 3.005 1.326 3.176 . 0 0 "[ . 1 . ]" 1
338 1 35 ALA HA 1 38 ILE MD 0.000 . 3.720 2.800 2.678 2.952 . 0 0 "[ . 1 . ]" 1
339 1 35 ALA MB 1 75 THR H 0.000 . 7.030 4.476 3.964 4.786 . 0 0 "[ . 1 . ]" 1
340 1 35 ALA MB 1 77 VAL H 0.000 . 7.030 4.439 4.244 4.681 . 0 0 "[ . 1 . ]" 1
341 1 36 THR H 1 36 THR HB 0.000 . 3.610 2.568 2.431 2.658 . 0 0 "[ . 1 . ]" 1
342 1 36 THR H 1 37 HIS H 0.000 . 4.290 2.768 2.736 2.805 . 0 0 "[ . 1 . ]" 1
343 1 36 THR H 1 38 ILE H 0.000 . 6.000 3.842 3.745 3.887 . 0 0 "[ . 1 . ]" 1
344 1 36 THR H 1 39 LEU H 0.000 . 4.670 4.311 4.157 4.415 . 0 0 "[ . 1 . ]" 1
345 1 36 THR H 1 53 LEU QD 0.000 . 8.600 3.308 2.277 3.998 . 0 0 "[ . 1 . ]" 1
346 1 36 THR H 1 75 THR H 0.000 . 5.350 3.852 3.654 4.121 . 0 0 "[ . 1 . ]" 1
347 1 36 THR H 1 76 TRP HA 0.000 . 6.000 4.692 4.343 5.665 . 0 0 "[ . 1 . ]" 1
348 1 36 THR HA 1 38 ILE H 0.000 . 5.430 4.067 3.991 4.134 . 0 0 "[ . 1 . ]" 1
349 1 36 THR HA 1 39 LEU H 0.000 . 5.540 3.465 3.256 3.647 . 0 0 "[ . 1 . ]" 1
350 1 36 THR HA 1 40 LYS H 0.000 . 5.660 1.902 1.782 1.966 . 0 0 "[ . 1 . ]" 1
351 1 36 THR HA 1 75 THR H 0.000 . 6.000 5.978 5.833 6.039 0.039 18 0 "[ . 1 . ]" 1
352 1 36 THR HB 1 37 HIS H 0.000 . 4.630 2.333 2.207 2.442 . 0 0 "[ . 1 . ]" 1
353 1 36 THR HB 1 75 THR H 0.000 . 6.000 4.536 4.047 5.076 . 0 0 "[ . 1 . ]" 1
354 1 36 THR MG 1 37 HIS H 0.000 . 7.030 3.470 3.276 3.632 . 0 0 "[ . 1 . ]" 1
355 1 36 THR MG 1 39 LEU H 0.000 . 7.030 4.965 4.759 5.150 . 0 0 "[ . 1 . ]" 1
356 1 36 THR MG 1 41 ALA H 0.000 . 7.030 3.928 3.756 4.115 . 0 0 "[ . 1 . ]" 1
357 1 36 THR MG 1 43 ASN H 0.000 . 7.030 5.753 5.680 5.780 . 0 0 "[ . 1 . ]" 1
358 1 36 THR MG 1 43 ASN QD 0.000 . 7.900 4.611 3.675 5.637 . 0 0 "[ . 1 . ]" 1
359 1 36 THR MG 1 44 PHE H 0.000 . 7.030 5.518 4.827 5.782 . 0 0 "[ . 1 . ]" 1
360 1 36 THR MG 1 45 ALA H 0.000 . 7.030 4.423 3.971 4.878 . 0 0 "[ . 1 . ]" 1
361 1 37 HIS H 1 38 ILE H 0.000 . 4.710 2.578 2.521 2.641 . 0 0 "[ . 1 . ]" 1
362 1 37 HIS H 1 39 LEU H 0.000 . 6.000 4.281 4.209 4.348 . 0 0 "[ . 1 . ]" 1
363 1 37 HIS HA 1 37 HIS HD2 0.000 . 4.370 3.387 2.498 4.209 . 0 0 "[ . 1 . ]" 1
364 1 37 HIS HA 1 40 LYS H 0.000 . 4.860 4.727 4.565 4.889 0.029 17 0 "[ . 1 . ]" 1
365 1 37 HIS HA 1 41 ALA H 0.000 . 4.780 3.312 3.242 3.416 . 0 0 "[ . 1 . ]" 1
366 1 37 HIS HB3 1 38 ILE H 0.000 . 5.470 3.230 2.794 3.952 . 0 0 "[ . 1 . ]" 1
367 1 37 HIS HB2 1 38 ILE H 0.000 . 5.470 3.918 2.790 4.232 . 0 0 "[ . 1 . ]" 1
368 1 37 HIS QB 1 38 ILE H 0.000 . 5.320 2.976 2.737 3.204 . 0 0 "[ . 1 . ]" 1
369 1 38 ILE H 1 38 ILE HB 0.000 . 3.800 2.091 2.042 2.611 . 0 0 "[ . 1 . ]" 1
370 1 38 ILE H 1 39 LEU H 0.000 . 5.050 2.410 2.349 2.470 . 0 0 "[ . 1 . ]" 1
371 1 38 ILE H 1 40 LYS H 0.000 . 6.000 3.766 3.724 3.808 . 0 0 "[ . 1 . ]" 1
372 1 38 ILE H 1 43 ASN QD 0.000 . 6.870 5.902 5.490 6.159 . 0 0 "[ . 1 . ]" 1
373 1 38 ILE H 1 95 LEU QD 0.000 . 8.600 4.519 4.006 5.304 . 0 0 "[ . 1 . ]" 1
374 1 38 ILE HA 1 38 ILE MD 0.000 . 4.330 3.273 3.124 3.688 . 0 0 "[ . 1 . ]" 1
375 1 38 ILE HA 1 40 LYS H 0.000 . 6.000 5.273 5.205 5.320 . 0 0 "[ . 1 . ]" 1
376 1 38 ILE HA 1 41 ALA H 0.000 . 6.000 4.279 4.211 4.343 . 0 0 "[ . 1 . ]" 1
377 1 38 ILE HA 1 42 ALA H 0.000 . 6.000 5.180 4.958 5.450 . 0 0 "[ . 1 . ]" 1
378 1 38 ILE MG 1 86 ALA MB 0.000 . 5.890 1.801 1.208 3.810 . 0 0 "[ . 1 . ]" 1
379 1 38 ILE HG13 1 86 ALA H 0.000 . 6.000 4.326 3.535 5.161 . 0 0 "[ . 1 . ]" 1
380 1 38 ILE HG12 1 86 ALA H 0.000 . 6.000 3.236 2.625 3.902 . 0 0 "[ . 1 . ]" 1
381 1 38 ILE MD 1 39 LEU H 0.000 . 7.030 4.032 3.217 4.136 . 0 0 "[ . 1 . ]" 1
382 1 38 ILE MD 1 40 LYS H 0.000 . 7.030 5.708 5.165 5.772 . 0 0 "[ . 1 . ]" 1
383 1 38 ILE MD 1 86 ALA H 0.000 . 7.030 4.553 3.156 5.253 . 0 0 "[ . 1 . ]" 1
384 1 38 ILE MD 1 86 ALA MB 0.000 . 6.380 3.020 2.579 3.619 . 0 0 "[ . 1 . ]" 1
385 1 39 LEU H 1 40 LYS H 0.000 . 4.710 2.431 2.403 2.448 . 0 0 "[ . 1 . ]" 1
386 1 39 LEU H 1 41 ALA H 0.000 . 5.160 3.501 3.453 3.571 . 0 0 "[ . 1 . ]" 1
387 1 39 LEU H 1 42 ALA H 0.000 . 6.000 4.858 4.683 5.039 . 0 0 "[ . 1 . ]" 1
388 1 39 LEU HA 1 39 LEU MD1 0.000 . 4.220 2.403 1.399 3.585 . 0 0 "[ . 1 . ]" 1
389 1 39 LEU HA 1 39 LEU MD2 0.000 . 4.220 2.499 1.378 3.538 . 0 0 "[ . 1 . ]" 1
390 1 39 LEU HA 1 39 LEU QD 0.000 . 3.770 1.924 1.372 2.889 . 0 0 "[ . 1 . ]" 1
391 1 39 LEU HA 1 41 ALA H 0.000 . 6.000 4.139 4.098 4.234 . 0 0 "[ . 1 . ]" 1
392 1 39 LEU HA 1 42 ALA H 0.000 . 6.000 3.685 3.485 3.848 . 0 0 "[ . 1 . ]" 1
393 1 39 LEU MD1 1 40 LYS H 0.000 . 7.030 4.307 3.811 4.721 . 0 0 "[ . 1 . ]" 1
394 1 39 LEU MD2 1 40 LYS H 0.000 . 7.030 4.268 3.880 4.610 . 0 0 "[ . 1 . ]" 1
395 1 39 LEU QD 1 41 ALA H 0.000 . 8.600 4.764 4.329 5.253 . 0 0 "[ . 1 . ]" 1
396 1 39 LEU QD 1 42 ALA H 0.000 . 8.600 4.533 3.955 5.346 . 0 0 "[ . 1 . ]" 1
397 1 39 LEU QD 1 43 ASN H 0.000 . 8.600 4.829 3.912 5.918 . 0 0 "[ . 1 . ]" 1
398 1 39 LEU QD 1 44 PHE H 0.000 . 8.600 5.923 5.360 6.320 . 0 0 "[ . 1 . ]" 1
399 1 39 LEU QD 1 52 ILE H 0.000 . 8.600 5.084 4.482 6.090 . 0 0 "[ . 1 . ]" 1
400 1 39 LEU QD 1 53 LEU H 0.000 . 8.560 3.822 3.028 4.597 . 0 0 "[ . 1 . ]" 1
401 1 39 LEU QD 1 86 ALA H 0.000 . 8.600 5.100 4.201 5.906 . 0 0 "[ . 1 . ]" 1
402 1 40 LYS H 1 41 ALA H 0.000 . 4.560 2.575 2.556 2.601 . 0 0 "[ . 1 . ]" 1
403 1 40 LYS H 1 49 ARG QG 0.000 . 6.880 4.295 3.570 6.094 . 0 0 "[ . 1 . ]" 1
404 1 40 LYS HA 1 44 PHE H 0.000 . 5.350 2.974 1.930 3.471 . 0 0 "[ . 1 . ]" 1
405 1 40 LYS QB 1 41 ALA H 0.000 . 6.800 2.932 2.775 3.340 . 0 0 "[ . 1 . ]" 1
406 1 40 LYS QB 1 43 ASN H 0.000 . 6.880 4.631 4.433 4.834 . 0 0 "[ . 1 . ]" 1
407 1 40 LYS QB 1 44 PHE H 0.000 . 6.880 4.503 3.678 4.893 . 0 0 "[ . 1 . ]" 1
408 1 40 LYS QB 1 45 ALA H 0.000 . 6.880 4.090 3.079 4.882 . 0 0 "[ . 1 . ]" 1
409 1 40 LYS QB 1 46 LYS H 0.000 . 6.880 5.665 4.916 6.112 . 0 0 "[ . 1 . ]" 1
410 1 41 ALA H 1 42 ALA H 0.000 . 4.670 2.561 2.451 2.683 . 0 0 "[ . 1 . ]" 1
411 1 41 ALA H 1 43 ASN H 0.000 . 5.240 3.836 3.720 4.131 . 0 0 "[ . 1 . ]" 1
412 1 41 ALA H 1 95 LEU QD 0.000 . 8.600 5.304 4.578 6.060 . 0 0 "[ . 1 . ]" 1
413 1 41 ALA HA 1 43 ASN H 0.000 . 5.090 4.309 4.092 4.598 . 0 0 "[ . 1 . ]" 1
414 1 41 ALA MB 1 43 ASN H 0.000 . 7.030 4.403 4.336 4.574 . 0 0 "[ . 1 . ]" 1
415 1 42 ALA H 1 43 ASN H 0.000 . 4.520 2.095 1.901 2.225 . 0 0 "[ . 1 . ]" 1
416 1 42 ALA H 1 43 ASN QD 0.000 . 5.540 3.502 2.084 4.222 . 0 0 "[ . 1 . ]" 1
417 1 42 ALA H 1 44 PHE H 0.000 . 5.280 3.709 3.324 3.884 . 0 0 "[ . 1 . ]" 1
418 1 42 ALA H 1 91 VAL H 0.000 . 6.500 6.334 5.970 6.517 0.017 4 0 "[ . 1 . ]" 1
419 1 42 ALA H 1 91 VAL QG 0.000 . 8.620 3.513 2.640 4.371 . 0 0 "[ . 1 . ]" 1
420 1 42 ALA HA 1 44 PHE H 0.000 . 5.350 4.301 3.958 5.069 . 0 0 "[ . 1 . ]" 1
421 1 43 ASN H 1 43 ASN HA 0.000 . 3.040 2.985 2.963 3.003 . 0 0 "[ . 1 . ]" 1
422 1 43 ASN H 1 43 ASN HB3 0.000 . 3.910 3.116 2.537 3.898 . 0 0 "[ . 1 . ]" 1
423 1 43 ASN H 1 43 ASN HB2 0.000 . 3.910 3.752 3.046 3.920 0.010 10 0 "[ . 1 . ]" 1
424 1 43 ASN H 1 44 PHE H 0.000 . 4.560 1.939 1.677 2.130 . 0 0 "[ . 1 . ]" 1
425 1 43 ASN H 1 91 VAL QG 0.000 . 8.120 5.093 4.216 5.857 . 0 0 "[ . 1 . ]" 1
426 1 43 ASN HA 1 43 ASN HB3 0.000 . 2.850 2.538 2.255 2.750 . 0 0 "[ . 1 . ]" 1
427 1 43 ASN HA 1 43 ASN HB2 0.000 . 2.850 2.471 2.278 2.979 0.129 4 0 "[ . 1 . ]" 1
428 1 43 ASN QD 1 44 PHE H 0.000 . 6.870 3.819 2.126 5.023 . 0 0 "[ . 1 . ]" 1
429 1 44 PHE H 1 45 ALA H 0.000 . 6.000 4.424 4.185 4.552 . 0 0 "[ . 1 . ]" 1
430 1 44 PHE QB 1 49 ARG H 0.000 . 6.880 5.317 4.892 5.568 . 0 0 "[ . 1 . ]" 1
431 1 45 ALA H 1 46 LYS H 0.000 . 5.350 4.123 4.088 4.236 . 0 0 "[ . 1 . ]" 1
432 1 45 ALA H 1 49 ARG H 0.000 . 6.750 5.982 5.812 6.064 . 0 0 "[ . 1 . ]" 1
433 1 45 ALA HA 1 48 LYS H 0.000 . 5.890 5.834 5.783 5.908 0.018 17 0 "[ . 1 . ]" 1
434 1 45 ALA HA 1 49 ARG H 0.000 . 3.570 3.715 3.692 3.747 0.177 17 0 "[ . 1 . ]" 1
435 1 46 LYS HA 1 48 LYS H 0.000 . 5.510 4.166 4.121 4.208 . 0 0 "[ . 1 . ]" 1
436 1 46 LYS HA 1 49 ARG H 0.000 . 4.370 4.401 4.357 4.430 0.060 16 0 "[ . 1 . ]" 1
437 1 46 LYS HA 1 50 THR H 0.000 . 5.200 5.059 4.998 5.118 . 0 0 "[ . 1 . ]" 1
438 1 47 ALA HA 1 51 ARG H 0.000 . 4.480 4.548 4.529 4.565 0.085 5 0 "[ . 1 . ]" 1
439 1 47 ALA MB 1 49 ARG H 0.000 . 7.030 4.815 4.770 4.842 . 0 0 "[ . 1 . ]" 1
440 1 47 ALA MB 1 50 THR H 0.000 . 7.030 4.506 4.489 4.526 . 0 0 "[ . 1 . ]" 1
441 1 48 LYS H 1 49 ARG H 0.000 . 4.940 2.683 2.673 2.700 . 0 0 "[ . 1 . ]" 1
442 1 48 LYS HA 1 50 THR H 0.000 . 5.010 4.091 4.057 4.131 . 0 0 "[ . 1 . ]" 1
443 1 48 LYS HA 1 51 ARG H 0.000 . 5.210 3.517 3.478 3.587 . 0 0 "[ . 1 . ]" 1
444 1 48 LYS HA 1 52 ILE H 0.000 . 5.050 3.602 3.393 3.781 . 0 0 "[ . 1 . ]" 1
445 1 48 LYS HB3 1 49 ARG H 0.000 . 5.010 2.754 2.624 2.889 . 0 0 "[ . 1 . ]" 1
446 1 48 LYS HB3 1 50 THR H 0.000 . 4.900 4.855 4.789 4.923 0.023 16 0 "[ . 1 . ]" 1
447 1 48 LYS HB2 1 49 ARG H 0.000 . 5.010 2.768 2.628 2.886 . 0 0 "[ . 1 . ]" 1
448 1 48 LYS HB2 1 50 THR H 0.000 . 4.900 4.836 4.747 4.901 0.001 4 0 "[ . 1 . ]" 1
449 1 48 LYS QB 1 49 ARG H 0.000 . 4.560 2.453 2.433 2.472 . 0 0 "[ . 1 . ]" 1
450 1 48 LYS QB 1 50 THR H 0.000 . 4.750 4.316 4.302 4.332 . 0 0 "[ . 1 . ]" 1
451 1 48 LYS QB 1 52 ILE H 0.000 . 6.880 4.579 4.388 4.718 . 0 0 "[ . 1 . ]" 1
452 1 48 LYS QB 1 53 LEU H 0.000 . 6.880 5.513 5.365 5.673 . 0 0 "[ . 1 . ]" 1
453 1 48 LYS QG 1 49 ARG H 0.000 . 6.880 4.301 4.248 4.344 . 0 0 "[ . 1 . ]" 1
454 1 48 LYS QG 1 50 THR H 0.000 . 6.880 5.601 5.448 5.874 . 0 0 "[ . 1 . ]" 1
455 1 49 ARG H 1 50 THR H 0.000 . 4.290 2.670 2.655 2.684 . 0 0 "[ . 1 . ]" 1
456 1 49 ARG H 1 51 ARG H 0.000 . 5.960 4.304 4.260 4.332 . 0 0 "[ . 1 . ]" 1
457 1 49 ARG HA 1 51 ARG H 0.000 . 5.050 4.206 4.122 4.253 . 0 0 "[ . 1 . ]" 1
458 1 49 ARG HA 1 52 ILE H 0.000 . 6.000 4.058 3.819 4.202 . 0 0 "[ . 1 . ]" 1
459 1 49 ARG HA 1 52 ILE MG 0.000 . 5.620 3.346 1.558 4.402 . 0 0 "[ . 1 . ]" 1
460 1 50 THR H 1 50 THR HB 0.000 . 3.570 2.264 1.950 3.393 . 0 0 "[ . 1 . ]" 1
461 1 50 THR H 1 51 ARG H 0.000 . 4.560 2.575 2.535 2.612 . 0 0 "[ . 1 . ]" 1
462 1 50 THR H 1 52 ILE H 0.000 . 5.510 4.562 4.259 4.751 . 0 0 "[ . 1 . ]" 1
463 1 50 THR HA 1 53 LEU H 0.000 . 4.520 4.540 4.502 4.576 0.056 12 0 "[ . 1 . ]" 1
464 1 50 THR HA 1 53 LEU QD 0.000 . 8.520 4.104 3.507 4.973 . 0 0 "[ . 1 . ]" 1
465 1 50 THR HA 1 54 GLU H 0.000 . 4.480 3.679 3.424 3.980 . 0 0 "[ . 1 . ]" 1
466 1 51 ARG H 1 52 ILE H 0.000 . 4.560 2.628 2.442 2.773 . 0 0 "[ . 1 . ]" 1
467 1 51 ARG HA 1 53 LEU H 0.000 . 6.000 4.545 4.410 4.700 . 0 0 "[ . 1 . ]" 1
468 1 51 ARG HA 1 54 GLU H 0.000 . 5.160 3.743 3.624 3.860 . 0 0 "[ . 1 . ]" 1
469 1 51 ARG HA 1 55 LYS H 0.000 . 5.890 3.280 2.724 3.748 . 0 0 "[ . 1 . ]" 1
470 1 51 ARG QB 1 53 LEU H 0.000 . 5.130 4.436 4.295 4.650 . 0 0 "[ . 1 . ]" 1
471 1 52 ILE H 1 52 ILE HB 0.000 . 4.180 2.546 1.983 3.524 . 0 0 "[ . 1 . ]" 1
472 1 52 ILE H 1 53 LEU H 0.000 . 4.710 2.974 2.915 3.018 . 0 0 "[ . 1 . ]" 1
473 1 52 ILE H 1 54 GLU H 0.000 . 5.540 4.609 4.478 4.661 . 0 0 "[ . 1 . ]" 1
474 1 52 ILE HA 1 54 GLU H 0.000 . 5.390 5.098 4.979 5.145 . 0 0 "[ . 1 . ]" 1
475 1 52 ILE HA 1 55 LYS H 0.000 . 5.730 3.946 3.777 4.215 . 0 0 "[ . 1 . ]" 1
476 1 52 ILE MD 1 53 LEU H 0.000 . 7.030 4.193 2.609 4.775 . 0 0 "[ . 1 . ]" 1
477 1 53 LEU H 1 53 LEU HB3 0.000 . 4.140 2.894 2.116 3.535 . 0 0 "[ . 1 . ]" 1
478 1 53 LEU H 1 53 LEU HB2 0.000 . 4.140 2.198 1.978 2.817 . 0 0 "[ . 1 . ]" 1
479 1 53 LEU H 1 54 GLU H 0.000 . 4.750 2.758 2.696 2.775 . 0 0 "[ . 1 . ]" 1
480 1 53 LEU HA 1 53 LEU MD1 0.000 . 4.440 2.884 1.442 3.778 . 0 0 "[ . 1 . ]" 1
481 1 53 LEU HA 1 53 LEU MD2 0.000 . 4.440 2.820 1.350 3.782 . 0 0 "[ . 1 . ]" 1
482 1 53 LEU HA 1 53 LEU QD 0.000 . 3.920 2.210 1.345 2.985 . 0 0 "[ . 1 . ]" 1
483 1 53 LEU HA 1 55 LYS H 0.000 . 5.510 4.650 4.365 4.994 . 0 0 "[ . 1 . ]" 1
484 1 53 LEU HA 1 57 VAL H 0.000 . 5.540 3.117 2.841 3.453 . 0 0 "[ . 1 . ]" 1
485 1 53 LEU QB 1 54 GLU H 0.000 . 6.880 2.137 2.027 2.332 . 0 0 "[ . 1 . ]" 1
486 1 53 LEU HG 1 54 GLU H 0.000 . 6.000 4.313 3.347 4.839 . 0 0 "[ . 1 . ]" 1
487 1 53 LEU MD1 1 54 GLU H 0.000 . 7.030 4.075 1.599 4.562 . 0 0 "[ . 1 . ]" 1
488 1 53 LEU MD2 1 54 GLU H 0.000 . 7.030 3.770 2.639 4.471 . 0 0 "[ . 1 . ]" 1
489 1 53 LEU QD 1 56 GLU H 0.000 . 8.600 4.515 3.654 5.401 . 0 0 "[ . 1 . ]" 1
490 1 54 GLU H 1 54 GLU HB3 0.000 . 3.340 2.760 1.964 3.447 0.107 2 0 "[ . 1 . ]" 1
491 1 54 GLU H 1 54 GLU HB2 0.000 . 3.340 2.487 1.950 3.416 0.076 11 0 "[ . 1 . ]" 1
492 1 54 GLU H 1 54 GLU QB 0.000 . 3.170 1.985 1.935 2.073 . 0 0 "[ . 1 . ]" 1
493 1 54 GLU H 1 54 GLU HG3 0.000 . 5.200 3.620 3.004 4.475 . 0 0 "[ . 1 . ]" 1
494 1 54 GLU H 1 54 GLU HG2 0.000 . 5.200 3.902 3.057 4.625 . 0 0 "[ . 1 . ]" 1
495 1 54 GLU H 1 54 GLU QG 0.000 . 4.670 3.295 2.767 3.910 . 0 0 "[ . 1 . ]" 1
496 1 54 GLU H 1 55 LYS H 0.000 . 4.670 2.890 2.761 2.947 . 0 0 "[ . 1 . ]" 1
497 1 54 GLU H 1 58 LEU H 0.000 . 5.810 4.623 4.058 4.886 . 0 0 "[ . 1 . ]" 1
498 1 54 GLU HA 1 54 GLU HB3 0.000 . 2.920 2.827 2.677 3.003 0.083 8 0 "[ . 1 . ]" 1
499 1 54 GLU HA 1 54 GLU HB2 0.000 . 2.920 2.630 2.257 2.971 0.051 2 0 "[ . 1 . ]" 1
500 1 54 GLU HA 1 54 GLU QB 0.000 . 2.730 2.397 2.175 2.550 . 0 0 "[ . 1 . ]" 1
501 1 54 GLU HA 1 54 GLU HG3 0.000 . 4.210 2.977 1.987 3.815 . 0 0 "[ . 1 . ]" 1
502 1 54 GLU HA 1 54 GLU HG2 0.000 . 4.210 3.178 1.959 4.226 0.016 6 0 "[ . 1 . ]" 1
503 1 54 GLU HA 1 56 GLU H 0.000 . 6.000 4.518 4.111 5.160 . 0 0 "[ . 1 . ]" 1
504 1 54 GLU HA 1 57 VAL H 0.000 . 5.350 3.834 3.582 4.149 . 0 0 "[ . 1 . ]" 1
505 1 54 GLU HA 1 58 LEU H 0.000 . 5.510 2.556 2.059 2.901 . 0 0 "[ . 1 . ]" 1
506 1 54 GLU QB 1 56 GLU H 0.000 . 6.310 4.618 4.338 4.983 . 0 0 "[ . 1 . ]" 1
507 1 54 GLU QB 1 59 LYS H 0.000 . 6.880 6.034 5.561 6.203 . 0 0 "[ . 1 . ]" 1
508 1 54 GLU QG 1 56 GLU H 0.000 . 6.880 5.136 3.677 6.177 . 0 0 "[ . 1 . ]" 1
509 1 55 LYS H 1 56 GLU H 0.000 . 4.670 2.542 2.430 2.667 . 0 0 "[ . 1 . ]" 1
510 1 55 LYS HA 1 60 GLU H 0.000 . 6.000 6.052 6.002 6.121 0.121 11 0 "[ . 1 . ]" 1
511 1 55 LYS QB 1 56 GLU H 0.000 . 6.120 2.875 2.351 3.374 . 0 0 "[ . 1 . ]" 1
512 1 55 LYS QG 1 57 VAL H 0.000 . 6.880 5.111 4.038 6.089 . 0 0 "[ . 1 . ]" 1
513 1 55 LYS QD 1 57 VAL H 0.000 . 6.880 5.555 4.418 6.172 . 0 0 "[ . 1 . ]" 1
514 1 56 GLU H 1 57 VAL H 0.000 . 5.050 2.553 2.326 2.838 . 0 0 "[ . 1 . ]" 1
515 1 56 GLU H 1 58 LEU H 0.000 . 6.000 3.918 3.484 4.291 . 0 0 "[ . 1 . ]" 1
516 1 57 VAL H 1 57 VAL HB 0.000 . 3.300 2.693 2.064 3.371 0.071 18 0 "[ . 1 . ]" 1
517 1 57 VAL H 1 58 LEU H 0.000 . 4.750 2.458 2.202 2.564 . 0 0 "[ . 1 . ]" 1
518 1 57 VAL H 1 59 LYS H 0.000 . 5.770 4.172 4.081 4.282 . 0 0 "[ . 1 . ]" 1
519 1 57 VAL H 1 85 LEU QD 0.000 . 8.600 5.588 4.817 6.159 . 0 0 "[ . 1 . ]" 1
520 1 57 VAL HA 1 57 VAL HB 0.000 . 2.880 2.728 2.255 2.965 0.085 4 0 "[ . 1 . ]" 1
521 1 57 VAL HA 1 59 LYS H 0.000 . 6.000 4.219 4.055 4.355 . 0 0 "[ . 1 . ]" 1
522 1 57 VAL HA 1 60 GLU H 0.000 . 6.000 2.999 2.751 3.191 . 0 0 "[ . 1 . ]" 1
523 1 57 VAL HA 1 61 THR H 0.000 . 5.320 4.596 2.392 5.340 0.020 7 0 "[ . 1 . ]" 1
524 1 57 VAL HB 1 58 LEU H 0.000 . 5.470 3.167 2.406 3.970 . 0 0 "[ . 1 . ]" 1
525 1 58 LEU H 1 58 LEU HB3 0.000 . 3.680 2.655 2.349 2.940 . 0 0 "[ . 1 . ]" 1
526 1 58 LEU H 1 58 LEU HB2 0.000 . 3.680 2.353 2.147 2.660 . 0 0 "[ . 1 . ]" 1
527 1 58 LEU H 1 58 LEU QB 0.000 . 3.500 2.180 2.092 2.248 . 0 0 "[ . 1 . ]" 1
528 1 58 LEU H 1 59 LYS H 0.000 . 4.210 3.031 2.916 3.111 . 0 0 "[ . 1 . ]" 1
529 1 58 LEU H 1 75 THR MG 0.000 . 7.030 4.885 4.256 5.477 . 0 0 "[ . 1 . ]" 1
530 1 58 LEU HB3 1 59 LYS H 0.000 . 5.010 2.392 2.352 2.518 . 0 0 "[ . 1 . ]" 1
531 1 58 LEU HB2 1 59 LYS H 0.000 . 5.010 3.726 3.549 3.912 . 0 0 "[ . 1 . ]" 1
532 1 58 LEU QB 1 59 LYS H 0.000 . 4.880 2.365 2.329 2.490 . 0 0 "[ . 1 . ]" 1
533 1 58 LEU QB 1 60 GLU H 0.000 . 6.880 4.222 4.102 4.319 . 0 0 "[ . 1 . ]" 1
534 1 58 LEU MD1 1 59 LYS H 0.000 . 7.030 2.918 1.824 4.536 . 0 0 "[ . 1 . ]" 1
535 1 58 LEU MD2 1 59 LYS H 0.000 . 7.030 3.912 2.588 4.534 . 0 0 "[ . 1 . ]" 1
536 1 58 LEU QD 1 60 GLU H 0.000 . 8.600 3.925 3.482 4.739 . 0 0 "[ . 1 . ]" 1
537 1 58 LEU QD 1 61 THR H 0.000 . 8.600 6.219 4.945 6.428 . 0 0 "[ . 1 . ]" 1
538 1 59 LYS H 1 59 LYS HB3 0.000 . 3.680 2.824 1.969 3.500 . 0 0 "[ . 1 . ]" 1
539 1 59 LYS H 1 59 LYS HB2 0.000 . 3.680 2.527 1.958 3.568 . 0 0 "[ . 1 . ]" 1
540 1 59 LYS H 1 59 LYS QB 0.000 . 3.460 2.081 1.942 2.649 . 0 0 "[ . 1 . ]" 1
541 1 59 LYS H 1 60 GLU H 0.000 . 4.290 2.414 2.247 2.520 . 0 0 "[ . 1 . ]" 1
542 1 59 LYS H 1 62 HIS H 0.000 . 5.850 5.511 4.492 5.853 0.003 15 0 "[ . 1 . ]" 1
543 1 59 LYS HA 1 59 LYS HB3 0.000 . 2.960 2.800 2.340 3.029 0.069 7 0 "[ . 1 . ]" 1
544 1 59 LYS HA 1 59 LYS HB2 0.000 . 2.960 2.682 2.262 3.005 0.045 6 0 "[ . 1 . ]" 1
545 1 59 LYS QG 1 60 GLU H 0.000 . 6.880 3.919 2.198 4.820 . 0 0 "[ . 1 . ]" 1
546 1 60 GLU H 1 61 THR H 0.000 . 6.000 4.142 3.030 4.475 . 0 0 "[ . 1 . ]" 1
547 1 60 GLU H 1 62 HIS H 0.000 . 4.670 3.873 3.537 4.559 . 0 0 "[ . 1 . ]" 1
548 1 60 GLU HA 1 62 HIS H 0.000 . 4.970 4.721 4.359 5.005 0.035 3 0 "[ . 1 . ]" 1
549 1 60 GLU HB3 1 61 THR H 0.000 . 4.750 2.583 1.603 4.667 . 0 0 "[ . 1 . ]" 1
550 1 60 GLU HB2 1 61 THR H 0.000 . 4.750 3.476 2.368 4.607 . 0 0 "[ . 1 . ]" 1
551 1 60 GLU QB 1 61 THR H 0.000 . 4.330 2.421 1.599 4.002 . 0 0 "[ . 1 . ]" 1
552 1 61 THR H 1 61 THR HB 0.000 . 4.180 2.984 2.167 4.089 . 0 0 "[ . 1 . ]" 1
553 1 61 THR H 1 62 HIS H 0.000 . 6.000 3.238 1.834 4.003 . 0 0 "[ . 1 . ]" 1
554 1 61 THR H 1 81 ILE MD 0.000 . 7.030 5.291 4.137 5.754 . 0 0 "[ . 1 . ]" 1
555 1 61 THR HB 1 62 HIS H 0.000 . 5.160 4.337 3.850 4.684 . 0 0 "[ . 1 . ]" 1
556 1 61 THR MG 1 62 HIS H 0.000 . 7.030 4.083 3.573 4.360 . 0 0 "[ . 1 . ]" 1
557 1 62 HIS H 1 77 VAL HA 0.000 . 5.280 5.224 4.879 5.314 0.034 4 0 "[ . 1 . ]" 1
558 1 63 GLU H 1 75 THR HA 0.000 . 6.000 2.536 1.699 3.709 . 0 0 "[ . 1 . ]" 1
559 1 63 GLU H 1 75 THR MG 0.000 . 7.030 2.914 2.018 4.403 . 0 0 "[ . 1 . ]" 1
560 1 63 GLU H 1 76 TRP H 0.000 . 6.000 3.069 1.756 4.042 . 0 0 "[ . 1 . ]" 1
561 1 63 GLU H 1 76 TRP HA 0.000 . 6.000 5.043 4.284 5.449 . 0 0 "[ . 1 . ]" 1
562 1 63 GLU H 1 76 TRP QB 0.000 . 6.880 4.790 3.202 5.317 . 0 0 "[ . 1 . ]" 1
563 1 63 GLU H 1 76 TRP HD1 0.000 . 6.000 2.830 1.809 5.267 . 0 0 "[ . 1 . ]" 1
564 1 63 GLU H 1 77 VAL HA 0.000 . 5.850 4.977 3.548 5.802 . 0 0 "[ . 1 . ]" 1
565 1 63 GLU H 1 77 VAL QG 0.000 . 8.590 4.120 2.698 4.715 . 0 0 "[ . 1 . ]" 1
566 1 63 GLU HA 1 76 TRP HE1 0.000 . 6.000 4.070 2.709 6.020 0.020 13 0 "[ . 1 . ]" 1
567 1 63 GLU QB 1 74 GLY H 0.000 . 6.880 6.168 5.500 6.270 . 0 0 "[ . 1 . ]" 1
568 1 63 GLU QB 1 75 THR H 0.000 . 6.880 5.976 4.763 6.210 . 0 0 "[ . 1 . ]" 1
569 1 63 GLU QB 1 76 TRP H 0.000 . 6.880 3.298 1.364 4.044 . 0 0 "[ . 1 . ]" 1
570 1 63 GLU QG 1 76 TRP H 0.000 . 6.880 5.189 3.249 5.837 . 0 0 "[ . 1 . ]" 1
571 1 64 LYS H 1 65 VAL H 0.000 . 6.000 4.420 4.017 4.568 . 0 0 "[ . 1 . ]" 1
572 1 64 LYS H 1 75 THR MG 0.000 . 7.030 4.649 3.651 5.505 . 0 0 "[ . 1 . ]" 1
573 1 64 LYS HA 1 66 GLN HE21 0.000 . 4.750 4.008 2.941 4.759 0.009 10 0 "[ . 1 . ]" 1
574 1 64 LYS HA 1 66 GLN HE22 0.000 . 4.750 3.942 3.067 4.724 . 0 0 "[ . 1 . ]" 1
575 1 64 LYS HA 1 66 GLN QE 0.000 . 4.570 3.441 2.760 4.070 . 0 0 "[ . 1 . ]" 1
576 1 64 LYS HA 1 74 GLY H 0.000 . 5.660 4.962 4.335 5.683 0.023 16 0 "[ . 1 . ]" 1
577 1 64 LYS HA 1 76 TRP H 0.000 . 5.580 4.831 3.889 5.584 0.004 4 0 "[ . 1 . ]" 1
578 1 65 VAL H 1 65 VAL HB 0.000 . 4.100 3.124 2.259 3.573 . 0 0 "[ . 1 . ]" 1
579 1 65 VAL H 1 74 GLY H 0.000 . 5.580 3.369 2.998 3.728 . 0 0 "[ . 1 . ]" 1
580 1 65 VAL H 1 76 TRP H 0.000 . 6.500 5.063 3.439 5.661 . 0 0 "[ . 1 . ]" 1
581 1 65 VAL H 1 76 TRP HE1 0.000 . 6.000 4.405 2.350 5.499 . 0 0 "[ . 1 . ]" 1
582 1 65 VAL HA 1 74 GLY H 0.000 . 5.090 5.008 4.567 5.168 0.078 16 0 "[ . 1 . ]" 1
583 1 65 VAL QG 1 73 GLN QE 0.000 . 9.460 2.492 1.482 3.527 . 0 0 "[ . 1 . ]" 1
584 1 65 VAL QG 1 74 GLY H 0.000 . 8.590 1.582 1.268 3.063 . 0 0 "[ . 1 . ]" 1
585 1 65 VAL QG 1 76 TRP H 0.000 . 8.590 3.830 2.568 5.054 . 0 0 "[ . 1 . ]" 1
586 1 66 GLN QG 1 67 GLY H 0.000 . 6.880 3.988 2.467 4.669 . 0 0 "[ . 1 . ]" 1
587 1 67 GLY H 1 69 PHE H 0.000 . 6.000 4.229 3.999 4.400 . 0 0 "[ . 1 . ]" 1
588 1 67 GLY H 1 69 PHE QD 0.000 . 8.120 5.467 4.452 7.148 . 0 0 "[ . 1 . ]" 1
589 1 70 GLY H 1 71 LYS H 0.000 . 5.240 2.305 2.220 2.383 . 0 0 "[ . 1 . ]" 1
590 1 70 GLY H 1 72 TYR H 0.000 . 6.000 3.884 3.726 4.084 . 0 0 "[ . 1 . ]" 1
591 1 70 GLY QA 1 72 TYR H 0.000 . 6.880 2.983 2.815 3.105 . 0 0 "[ . 1 . ]" 1
592 1 70 GLY QA 1 73 GLN H 0.000 . 6.880 3.227 3.107 3.384 . 0 0 "[ . 1 . ]" 1
593 1 71 LYS H 1 72 TYR H 0.000 . 6.000 2.558 2.511 2.777 . 0 0 "[ . 1 . ]" 1
594 1 71 LYS HA 1 73 GLN H 0.000 . 5.010 3.947 3.777 4.177 . 0 0 "[ . 1 . ]" 1
595 1 71 LYS HA 1 73 GLN HE21 0.000 . 6.000 4.853 3.983 5.843 . 0 0 "[ . 1 . ]" 1
596 1 71 LYS HA 1 73 GLN HE22 0.000 . 6.000 4.958 3.896 6.010 0.010 1 0 "[ . 1 . ]" 1
597 1 72 TYR H 1 73 GLN H 0.000 . 3.610 2.279 1.883 2.480 . 0 0 "[ . 1 . ]" 1
598 1 73 GLN H 1 74 GLY H 0.000 . 5.960 2.348 2.304 2.371 . 0 0 "[ . 1 . ]" 1
599 1 73 GLN HA 1 73 GLN HE21 0.000 . 6.000 4.318 3.176 5.685 . 0 0 "[ . 1 . ]" 1
600 1 73 GLN HA 1 73 GLN HE22 0.000 . 6.000 5.132 4.526 5.780 . 0 0 "[ . 1 . ]" 1
601 1 74 GLY H 1 75 THR H 0.000 . 6.000 4.009 3.688 4.179 . 0 0 "[ . 1 . ]" 1
602 1 74 GLY H 1 76 TRP HD1 0.000 . 6.000 5.426 3.511 6.040 0.040 19 0 "[ . 1 . ]" 1
603 1 75 THR H 1 75 THR HB 0.000 . 3.990 2.996 2.454 3.547 . 0 0 "[ . 1 . ]" 1
604 1 75 THR MG 1 76 TRP H 0.000 . 7.030 3.971 3.575 4.299 . 0 0 "[ . 1 . ]" 1
605 1 75 THR MG 1 76 TRP HE1 0.000 . 7.030 5.261 4.910 5.739 . 0 0 "[ . 1 . ]" 1
606 1 76 TRP H 1 76 TRP HD1 0.000 . 6.000 1.793 1.341 2.852 . 0 0 "[ . 1 . ]" 1
607 1 76 TRP H 1 76 TRP HE1 0.000 . 6.000 3.404 3.244 3.919 . 0 0 "[ . 1 . ]" 1
608 1 76 TRP H 1 77 VAL H 0.000 . 6.000 4.649 4.623 4.662 . 0 0 "[ . 1 . ]" 1
609 1 76 TRP QB 1 77 VAL H 0.000 . 6.500 2.708 2.571 3.116 . 0 0 "[ . 1 . ]" 1
610 1 76 TRP QB 1 79 LEU H 0.000 . 6.880 5.976 5.744 6.195 . 0 0 "[ . 1 . ]" 1
611 1 76 TRP HD1 1 77 VAL H 0.000 . 6.000 4.679 4.500 5.474 . 0 0 "[ . 1 . ]" 1
612 1 77 VAL HB 1 81 ILE H 0.000 . 5.200 5.154 4.966 5.248 0.048 5 0 "[ . 1 . ]" 1
613 1 77 VAL HB 1 82 ALA H 0.000 . 6.000 3.658 3.397 3.911 . 0 0 "[ . 1 . ]" 1
614 1 77 VAL MG1 1 82 ALA H 0.000 . 7.030 4.868 4.379 5.172 . 0 0 "[ . 1 . ]" 1
615 1 77 VAL MG2 1 82 ALA H 0.000 . 7.030 4.462 3.999 4.794 . 0 0 "[ . 1 . ]" 1
616 1 78 PRO HA 1 79 LEU H 0.000 . 3.040 2.240 2.229 2.262 . 0 0 "[ . 1 . ]" 1
617 1 79 LEU H 1 79 LEU HB3 0.000 . 3.990 2.271 1.945 3.407 . 0 0 "[ . 1 . ]" 1
618 1 79 LEU H 1 79 LEU HB2 0.000 . 3.990 2.925 2.019 3.521 . 0 0 "[ . 1 . ]" 1
619 1 79 LEU H 1 79 LEU QB 0.000 . 3.660 2.059 1.930 2.258 . 0 0 "[ . 1 . ]" 1
620 1 79 LEU HA 1 81 ILE H 0.000 . 6.000 4.077 3.767 4.330 . 0 0 "[ . 1 . ]" 1
621 1 79 LEU HA 1 82 ALA H 0.000 . 5.470 3.245 3.013 3.543 . 0 0 "[ . 1 . ]" 1
622 1 79 LEU QB 1 80 ASN H 0.000 . 5.620 3.047 2.629 3.454 . 0 0 "[ . 1 . ]" 1
623 1 80 ASN H 1 80 ASN HD21 0.000 . 6.000 4.274 3.480 5.039 . 0 0 "[ . 1 . ]" 1
624 1 80 ASN H 1 80 ASN HD22 0.000 . 6.000 4.830 3.530 5.801 . 0 0 "[ . 1 . ]" 1
625 1 80 ASN H 1 81 ILE H 0.000 . 4.290 2.624 2.583 2.656 . 0 0 "[ . 1 . ]" 1
626 1 80 ASN H 1 82 ALA H 0.000 . 5.920 3.851 3.794 3.963 . 0 0 "[ . 1 . ]" 1
627 1 80 ASN HA 1 82 ALA H 0.000 . 6.000 4.811 4.719 4.910 . 0 0 "[ . 1 . ]" 1
628 1 80 ASN HA 1 84 GLN H 0.000 . 6.000 4.771 4.501 5.032 . 0 0 "[ . 1 . ]" 1
629 1 81 ILE H 1 81 ILE HB 0.000 . 3.680 2.860 2.181 3.676 . 0 0 "[ . 1 . ]" 1
630 1 81 ILE H 1 82 ALA H 0.000 . 4.140 2.052 1.911 2.261 . 0 0 "[ . 1 . ]" 1
631 1 81 ILE H 1 83 LYS H 0.000 . 5.960 4.135 3.998 4.274 . 0 0 "[ . 1 . ]" 1
632 1 81 ILE H 1 84 GLN H 0.000 . 5.890 4.528 4.371 4.720 . 0 0 "[ . 1 . ]" 1
633 1 81 ILE HA 1 81 ILE MD 0.000 . 4.370 3.340 2.773 3.734 . 0 0 "[ . 1 . ]" 1
634 1 81 ILE HA 1 84 GLN H 0.000 . 5.200 3.511 3.440 3.618 . 0 0 "[ . 1 . ]" 1
635 1 81 ILE HA 1 84 GLN HE21 0.000 . 6.000 2.656 1.539 4.094 . 0 0 "[ . 1 . ]" 1
636 1 81 ILE HA 1 84 GLN HE22 0.000 . 6.000 3.211 2.283 4.109 . 0 0 "[ . 1 . ]" 1
637 1 81 ILE HB 1 82 ALA H 0.000 . 4.440 3.548 2.614 4.218 . 0 0 "[ . 1 . ]" 1
638 1 81 ILE HB 1 84 GLN HE21 0.000 . 6.000 4.719 3.196 5.962 . 0 0 "[ . 1 . ]" 1
639 1 81 ILE HB 1 84 GLN HE22 0.000 . 6.000 4.641 2.804 5.959 . 0 0 "[ . 1 . ]" 1
640 1 82 ALA H 1 83 LYS H 0.000 . 4.370 2.889 2.863 2.910 . 0 0 "[ . 1 . ]" 1
641 1 82 ALA H 1 84 GLN H 0.000 . 6.000 3.889 3.827 4.078 . 0 0 "[ . 1 . ]" 1
642 1 82 ALA HA 1 84 GLN H 0.000 . 6.000 4.279 4.112 4.383 . 0 0 "[ . 1 . ]" 1
643 1 82 ALA HA 1 85 LEU H 0.000 . 5.350 3.509 3.398 3.622 . 0 0 "[ . 1 . ]" 1
644 1 82 ALA HA 1 85 LEU HB3 0.000 . 3.760 3.304 2.756 3.760 0.000 3 0 "[ . 1 . ]" 1
645 1 82 ALA HA 1 85 LEU HB2 0.000 . 3.760 3.461 2.948 3.771 0.011 16 0 "[ . 1 . ]" 1
646 1 82 ALA HA 1 85 LEU QB 0.000 . 3.520 2.943 2.691 3.156 . 0 0 "[ . 1 . ]" 1
647 1 82 ALA HA 1 86 ALA H 0.000 . 5.890 4.068 3.851 4.277 . 0 0 "[ . 1 . ]" 1
648 1 82 ALA MB 1 84 GLN H 0.000 . 7.030 4.174 4.118 4.296 . 0 0 "[ . 1 . ]" 1
649 1 83 LYS H 1 84 GLN H 0.000 . 4.370 2.729 2.657 2.824 . 0 0 "[ . 1 . ]" 1
650 1 83 LYS H 1 99 PHE HZ 0.000 . 6.000 4.993 3.413 6.003 0.003 8 0 "[ . 1 . ]" 1
651 1 83 LYS HA 1 86 ALA H 0.000 . 5.390 3.395 3.224 3.666 . 0 0 "[ . 1 . ]" 1
652 1 83 LYS HA 1 87 GLU H 0.000 . 6.000 2.626 2.403 3.602 . 0 0 "[ . 1 . ]" 1
653 1 84 GLN H 1 84 GLN HB3 0.000 . 3.150 2.278 1.981 3.213 0.063 18 0 "[ . 1 . ]" 1
654 1 84 GLN H 1 84 GLN HB2 0.000 . 3.150 2.726 2.468 3.201 0.051 18 0 "[ . 1 . ]" 1
655 1 84 GLN H 1 85 LEU H 0.000 . 4.520 2.538 2.514 2.580 . 0 0 "[ . 1 . ]" 1
656 1 84 GLN H 1 86 ALA H 0.000 . 5.810 4.148 3.950 4.307 . 0 0 "[ . 1 . ]" 1
657 1 84 GLN HA 1 84 GLN HB3 0.000 . 3.000 2.975 2.255 3.034 0.034 13 0 "[ . 1 . ]" 1
658 1 84 GLN HA 1 84 GLN HB2 0.000 . 3.000 2.415 2.279 2.844 . 0 0 "[ . 1 . ]" 1
659 1 84 GLN HA 1 84 GLN QB 0.000 . 2.590 2.297 2.173 2.378 . 0 0 "[ . 1 . ]" 1
660 1 84 GLN HA 1 84 GLN HG3 0.000 . 3.640 3.022 2.614 3.641 0.001 16 0 "[ . 1 . ]" 1
661 1 84 GLN HA 1 84 GLN HG2 0.000 . 3.640 2.956 2.343 3.619 . 0 0 "[ . 1 . ]" 1
662 1 84 GLN HA 1 84 GLN QG 0.000 . 3.340 2.602 2.299 3.044 . 0 0 "[ . 1 . ]" 1
663 1 84 GLN HA 1 84 GLN HE21 0.000 . 6.000 4.470 3.850 4.958 . 0 0 "[ . 1 . ]" 1
664 1 84 GLN HA 1 84 GLN HE22 0.000 . 6.000 5.745 5.197 6.027 0.027 18 0 "[ . 1 . ]" 1
665 1 84 GLN HA 1 87 GLU H 0.000 . 4.520 4.524 3.939 4.617 0.097 19 0 "[ . 1 . ]" 1
666 1 84 GLN QB 1 86 ALA H 0.000 . 6.390 4.913 4.668 5.183 . 0 0 "[ . 1 . ]" 1
667 1 85 LEU H 1 85 LEU QB 0.000 . 3.840 2.151 1.971 2.239 . 0 0 "[ . 1 . ]" 1
668 1 85 LEU H 1 86 ALA H 0.000 . 4.290 2.393 2.293 2.571 . 0 0 "[ . 1 . ]" 1
669 1 85 LEU HA 1 85 LEU HB3 0.000 . 2.920 2.986 2.896 3.029 0.109 12 0 "[ . 1 . ]" 1
670 1 85 LEU HA 1 85 LEU HB2 0.000 . 2.920 2.622 2.432 2.808 . 0 0 "[ . 1 . ]" 1
671 1 85 LEU HA 1 85 LEU QB 0.000 . 2.590 2.456 2.337 2.539 . 0 0 "[ . 1 . ]" 1
672 1 85 LEU HA 1 88 LYS H 0.000 . 4.710 4.376 3.657 4.514 . 0 0 "[ . 1 . ]" 1
673 1 85 LEU HA 1 89 PHE H 0.000 . 5.620 5.567 5.018 5.685 0.065 12 0 "[ . 1 . ]" 1
674 1 85 LEU QB 1 86 ALA H 0.000 . 5.660 2.478 2.293 2.621 . 0 0 "[ . 1 . ]" 1
675 1 86 ALA H 1 87 GLU H 0.000 . 3.950 2.649 2.612 2.734 . 0 0 "[ . 1 . ]" 1
676 1 86 ALA H 1 88 LYS H 0.000 . 6.000 3.825 3.731 3.976 . 0 0 "[ . 1 . ]" 1
677 1 86 ALA H 1 99 PHE HZ 0.000 . 6.000 4.934 4.083 5.862 . 0 0 "[ . 1 . ]" 1
678 1 86 ALA HA 1 91 VAL H 0.000 . 4.900 2.849 2.376 3.104 . 0 0 "[ . 1 . ]" 1
679 1 86 ALA HA 1 92 TYR H 0.000 . 5.730 4.336 3.869 4.651 . 0 0 "[ . 1 . ]" 1
680 1 86 ALA MB 1 91 VAL H 0.000 . 7.030 2.516 2.161 2.840 . 0 0 "[ . 1 . ]" 1
681 1 86 ALA MB 1 92 TYR H 0.000 . 7.030 3.860 3.248 4.286 . 0 0 "[ . 1 . ]" 1
682 1 86 ALA MB 1 95 LEU H 0.000 . 7.030 5.568 5.219 5.748 . 0 0 "[ . 1 . ]" 1
683 1 87 GLU H 1 87 GLU HB3 0.000 . 3.650 1.982 1.927 2.006 . 0 0 "[ . 1 . ]" 1
684 1 87 GLU H 1 87 GLU HB2 0.000 . 3.150 3.282 3.250 3.309 0.159 18 0 "[ . 1 . ]" 1
685 1 87 GLU H 1 87 GLU HG3 0.000 . 4.560 4.109 3.875 4.434 . 0 0 "[ . 1 . ]" 1
686 1 87 GLU H 1 87 GLU HG2 0.000 . 4.560 3.426 3.228 4.025 . 0 0 "[ . 1 . ]" 1
687 1 87 GLU H 1 87 GLU QG 0.000 . 4.390 3.260 3.132 3.736 . 0 0 "[ . 1 . ]" 1
688 1 87 GLU H 1 88 LYS H 0.000 . 4.290 2.964 2.698 3.030 . 0 0 "[ . 1 . ]" 1
689 1 87 GLU H 1 89 PHE H 0.000 . 6.000 6.060 5.995 6.099 0.099 12 0 "[ . 1 . ]" 1
690 1 87 GLU H 1 92 TYR H 0.000 . 5.810 4.689 3.774 5.000 . 0 0 "[ . 1 . ]" 1
691 1 87 GLU H 1 92 TYR HA 0.000 . 6.000 4.681 4.139 5.200 . 0 0 "[ . 1 . ]" 1
692 1 87 GLU H 1 92 TYR HB3 0.000 . 6.000 5.481 4.051 6.046 0.046 4 0 "[ . 1 . ]" 1
693 1 87 GLU H 1 92 TYR HB2 0.000 . 6.000 5.295 4.380 6.023 0.023 18 0 "[ . 1 . ]" 1
694 1 87 GLU HA 1 87 GLU HB3 0.000 . 2.620 2.746 2.723 2.791 0.171 1 0 "[ . 1 . ]" 1
695 1 87 GLU HA 1 87 GLU HB2 0.000 . 2.620 2.265 2.256 2.273 . 0 0 "[ . 1 . ]" 1
696 1 87 GLU HA 1 87 GLU QB 0.000 . 2.410 2.164 2.161 2.166 . 0 0 "[ . 1 . ]" 1
697 1 87 GLU HA 1 87 GLU HG3 0.000 . 4.020 3.400 3.243 3.993 . 0 0 "[ . 1 . ]" 1
698 1 87 GLU HA 1 87 GLU HG2 0.000 . 4.020 3.807 3.260 4.012 . 0 0 "[ . 1 . ]" 1
699 1 87 GLU HA 1 91 VAL H 0.000 . 5.160 4.213 3.879 5.087 . 0 0 "[ . 1 . ]" 1
700 1 87 GLU HA 1 92 TYR H 0.000 . 3.450 3.312 2.586 3.472 0.022 2 0 "[ . 1 . ]" 1
701 1 87 GLU HA 1 92 TYR HB3 0.000 . 4.020 3.482 1.799 4.048 0.028 4 0 "[ . 1 . ]" 1
702 1 87 GLU HA 1 92 TYR HB2 0.000 . 4.020 2.920 1.628 3.677 . 0 0 "[ . 1 . ]" 1
703 1 87 GLU HA 1 92 TYR QB 0.000 . 3.770 2.698 1.620 3.355 . 0 0 "[ . 1 . ]" 1
704 1 87 GLU QG 1 88 LYS H 0.000 . 6.880 2.482 2.252 2.841 . 0 0 "[ . 1 . ]" 1
705 1 88 LYS H 1 88 LYS HB3 0.000 . 3.230 2.713 2.053 3.242 0.012 17 0 "[ . 1 . ]" 1
706 1 88 LYS H 1 88 LYS HB2 0.000 . 3.230 2.327 1.944 3.168 . 0 0 "[ . 1 . ]" 1
707 1 88 LYS H 1 89 PHE H 0.000 . 4.480 3.468 3.422 3.581 . 0 0 "[ . 1 . ]" 1
708 1 88 LYS H 1 90 SER H 0.000 . 5.770 3.461 3.416 3.515 . 0 0 "[ . 1 . ]" 1
709 1 88 LYS H 1 92 TYR H 0.000 . 5.350 4.527 3.818 4.950 . 0 0 "[ . 1 . ]" 1
710 1 88 LYS HA 1 90 SER H 0.000 . 6.000 4.613 4.522 4.665 . 0 0 "[ . 1 . ]" 1
711 1 88 LYS QG 1 89 PHE H 0.000 . 6.880 2.603 1.381 3.650 . 0 0 "[ . 1 . ]" 1
712 1 89 PHE H 1 90 SER H 0.000 . 4.290 2.203 2.097 2.365 . 0 0 "[ . 1 . ]" 1
713 1 89 PHE H 1 90 SER HA 0.000 . 5.510 4.611 4.554 4.696 . 0 0 "[ . 1 . ]" 1
714 1 89 PHE H 1 91 VAL H 0.000 . 5.910 5.290 4.884 6.014 0.104 1 0 "[ . 1 . ]" 1
715 1 89 PHE HB3 1 90 SER H 0.000 . 6.000 3.937 3.486 4.403 . 0 0 "[ . 1 . ]" 1
716 1 89 PHE HB2 1 90 SER H 0.000 . 6.000 4.061 3.529 4.577 . 0 0 "[ . 1 . ]" 1
717 1 90 SER H 1 90 SER HA 0.000 . 2.770 2.890 2.847 2.954 0.184 14 0 "[ . 1 . ]" 1
718 1 90 SER H 1 91 VAL H 0.000 . 3.800 3.183 2.698 3.680 . 0 0 "[ . 1 . ]" 1
719 1 90 SER HA 1 92 TYR H 0.000 . 5.130 4.648 4.586 4.850 . 0 0 "[ . 1 . ]" 1
720 1 91 VAL H 1 92 TYR H 0.000 . 3.870 2.155 1.955 2.275 . 0 0 "[ . 1 . ]" 1
721 1 91 VAL H 1 92 TYR HA 0.000 . 5.510 4.313 4.230 4.431 . 0 0 "[ . 1 . ]" 1
722 1 91 VAL H 1 92 TYR HB3 0.000 . 6.000 4.170 3.965 4.723 . 0 0 "[ . 1 . ]" 1
723 1 91 VAL H 1 92 TYR HB2 0.000 . 6.000 5.066 3.875 5.649 . 0 0 "[ . 1 . ]" 1
724 1 91 VAL H 1 92 TYR QB 0.000 . 5.790 3.938 3.707 4.136 . 0 0 "[ . 1 . ]" 1
725 1 91 VAL HA 1 93 ASP H 0.000 . 4.590 3.392 3.109 4.195 . 0 0 "[ . 1 . ]" 1
726 1 91 VAL HA 1 94 GLN H 0.000 . 4.750 3.184 2.991 3.576 . 0 0 "[ . 1 . ]" 1
727 1 91 VAL HA 1 94 GLN HE21 0.000 . 6.000 4.206 2.856 5.978 . 0 0 "[ . 1 . ]" 1
728 1 91 VAL HA 1 94 GLN HE22 0.000 . 6.000 4.945 4.009 5.951 . 0 0 "[ . 1 . ]" 1
729 1 91 VAL QG 1 92 TYR H 0.000 . 8.120 3.320 2.714 3.676 . 0 0 "[ . 1 . ]" 1
730 1 92 TYR H 1 92 TYR HB3 0.000 . 3.870 2.176 1.988 2.937 . 0 0 "[ . 1 . ]" 1
731 1 92 TYR H 1 92 TYR HB2 0.000 . 3.870 3.131 2.177 3.565 . 0 0 "[ . 1 . ]" 1
732 1 92 TYR H 1 93 ASP H 0.000 . 4.480 3.057 2.892 3.394 . 0 0 "[ . 1 . ]" 1
733 1 92 TYR HA 1 94 GLN H 0.000 . 6.000 5.245 4.899 5.417 . 0 0 "[ . 1 . ]" 1
734 1 92 TYR HA 1 95 LEU H 0.000 . 5.890 4.168 3.523 4.688 . 0 0 "[ . 1 . ]" 1
735 1 92 TYR HA 1 96 LYS H 0.000 . 5.920 5.747 5.412 5.940 0.020 3 0 "[ . 1 . ]" 1
736 1 92 TYR QB 1 94 GLN H 0.000 . 6.880 5.371 5.042 5.695 . 0 0 "[ . 1 . ]" 1
737 1 93 ASP H 1 94 GLN H 0.000 . 4.140 2.689 2.513 3.175 . 0 0 "[ . 1 . ]" 1
738 1 93 ASP H 1 94 GLN HB3 0.000 . 6.000 5.554 5.268 5.998 . 0 0 "[ . 1 . ]" 1
739 1 93 ASP H 1 94 GLN HB2 0.000 . 6.000 4.388 4.076 5.235 . 0 0 "[ . 1 . ]" 1
740 1 93 ASP H 1 94 GLN QB 0.000 . 5.880 4.226 3.966 4.868 . 0 0 "[ . 1 . ]" 1
741 1 93 ASP H 1 95 LEU H 0.000 . 5.730 3.864 3.446 4.691 . 0 0 "[ . 1 . ]" 1
742 1 93 ASP H 1 96 LYS H 0.000 . 6.000 5.544 5.207 6.004 0.004 12 0 "[ . 1 . ]" 1
743 1 94 GLN H 1 94 GLN QG 0.000 . 4.820 3.315 1.330 3.759 . 0 0 "[ . 1 . ]" 1
744 1 94 GLN H 1 94 GLN HE21 0.000 . 6.000 3.291 1.589 5.701 . 0 0 "[ . 1 . ]" 1
745 1 94 GLN H 1 94 GLN HE22 0.000 . 6.000 4.304 3.126 5.728 . 0 0 "[ . 1 . ]" 1
746 1 94 GLN H 1 95 LEU H 0.000 . 4.290 2.835 2.651 3.132 . 0 0 "[ . 1 . ]" 1
747 1 94 GLN HA 1 94 GLN HB3 0.000 . 2.850 2.794 2.259 2.882 0.032 2 0 "[ . 1 . ]" 1
748 1 94 GLN HA 1 94 GLN HB2 0.000 . 2.850 2.870 2.835 2.958 0.108 18 0 "[ . 1 . ]" 1
749 1 94 GLN HA 1 94 GLN HE21 0.000 . 6.000 3.888 2.300 5.239 . 0 0 "[ . 1 . ]" 1
750 1 94 GLN HA 1 94 GLN HE22 0.000 . 6.000 4.780 2.858 5.962 . 0 0 "[ . 1 . ]" 1
751 1 94 GLN HA 1 96 LYS H 0.000 . 4.940 3.546 3.369 3.703 . 0 0 "[ . 1 . ]" 1
752 1 94 GLN HB3 1 95 LEU H 0.000 . 5.240 3.008 2.380 4.004 . 0 0 "[ . 1 . ]" 1
753 1 94 GLN HB2 1 95 LEU H 0.000 . 5.240 3.070 2.549 3.402 . 0 0 "[ . 1 . ]" 1
754 1 94 GLN QG 1 95 LEU H 0.000 . 6.880 4.231 2.822 4.583 . 0 0 "[ . 1 . ]" 1
755 1 94 GLN QG 1 96 LYS H 0.000 . 6.880 5.079 4.896 5.514 . 0 0 "[ . 1 . ]" 1
756 1 95 LEU H 1 96 LYS H 0.000 . 3.950 3.045 2.851 3.290 . 0 0 "[ . 1 . ]" 1
757 1 95 LEU H 1 99 PHE H 0.000 . 6.000 5.824 5.450 6.044 0.044 9 0 "[ . 1 . ]" 1
758 1 95 LEU HA 1 95 LEU HG 0.000 . 4.100 3.344 2.321 3.816 . 0 0 "[ . 1 . ]" 1
759 1 95 LEU HB3 1 96 LYS H 0.000 . 5.240 4.603 4.146 4.693 . 0 0 "[ . 1 . ]" 1
760 1 95 LEU HB3 1 98 LEU H 0.000 . 5.240 4.600 3.968 5.265 0.025 2 0 "[ . 1 . ]" 1
761 1 95 LEU HB3 1 99 PHE H 0.000 . 5.430 3.995 3.420 5.141 . 0 0 "[ . 1 . ]" 1
762 1 95 LEU HB2 1 96 LYS H 0.000 . 5.240 4.103 3.924 4.459 . 0 0 "[ . 1 . ]" 1
763 1 95 LEU HB2 1 98 LEU H 0.000 . 5.240 5.162 4.344 5.330 0.090 16 0 "[ . 1 . ]" 1
764 1 95 LEU HB2 1 99 PHE H 0.000 . 5.430 3.954 3.322 5.162 . 0 0 "[ . 1 . ]" 1
765 1 95 LEU QB 1 98 LEU H 0.000 . 4.980 4.257 3.861 4.496 . 0 0 "[ . 1 . ]" 1
766 1 95 LEU QB 1 99 PHE H 0.000 . 5.210 3.458 3.012 3.887 . 0 0 "[ . 1 . ]" 1
767 1 95 LEU QB 1 100 ASP H 0.000 . 6.880 5.528 4.986 5.912 . 0 0 "[ . 1 . ]" 1
768 1 95 LEU QD 1 96 LYS H 0.000 . 8.600 3.918 2.907 4.470 . 0 0 "[ . 1 . ]" 1
769 1 95 LEU QD 1 98 LEU H 0.000 . 8.600 4.761 2.792 5.420 . 0 0 "[ . 1 . ]" 1
770 1 96 LYS H 1 96 LYS QB 0.000 . 3.920 2.023 1.925 2.356 . 0 0 "[ . 1 . ]" 1
771 1 96 LYS HA 1 99 PHE H 0.000 . 5.200 3.954 3.645 4.274 . 0 0 "[ . 1 . ]" 1
772 1 96 LYS HA 1 99 PHE QB 0.000 . 4.450 3.013 2.386 3.536 . 0 0 "[ . 1 . ]" 1
773 1 96 LYS HA 1 100 ASP H 0.000 . 5.660 4.350 3.885 4.563 . 0 0 "[ . 1 . ]" 1
774 1 98 LEU H 1 99 PHE H 0.000 . 4.400 2.855 2.665 2.985 . 0 0 "[ . 1 . ]" 1
775 1 98 LEU H 1 100 ASP H 0.000 . 6.200 4.094 3.837 4.353 . 0 0 "[ . 1 . ]" 1
776 1 98 LEU QB 1 99 PHE H 0.000 . 6.080 2.688 2.378 3.298 . 0 0 "[ . 1 . ]" 1
777 1 98 LEU QB 1 100 ASP H 0.000 . 6.880 4.631 4.323 4.944 . 0 0 "[ . 1 . ]" 1
778 1 99 PHE H 1 100 ASP H 0.000 . 4.830 2.434 2.237 2.768 . 0 0 "[ . 1 . ]" 1
779 1 99 PHE H 1 100 ASP QB 0.000 . 6.880 4.268 3.950 4.803 . 0 0 "[ . 1 . ]" 1
780 1 99 PHE HA 1 99 PHE HB3 0.000 . 3.000 2.695 2.542 2.872 . 0 0 "[ . 1 . ]" 1
781 1 99 PHE HA 1 99 PHE HB2 0.000 . 3.000 2.974 2.854 3.030 0.030 7 0 "[ . 1 . ]" 1
782 1 100 ASP H 1 100 ASP HB3 0.000 . 4.100 3.348 2.098 3.556 . 0 0 "[ . 1 . ]" 1
783 1 100 ASP H 1 100 ASP HB2 0.000 . 4.100 2.361 2.053 3.489 . 0 0 "[ . 1 . ]" 1
784 1 100 ASP H 1 101 PHE H 0.000 . 4.670 2.514 2.359 2.660 . 0 0 "[ . 1 . ]" 1
785 1 100 ASP HA 1 100 ASP HB3 0.000 . 2.690 2.587 2.341 2.685 . 0 0 "[ . 1 . ]" 1
786 1 101 PHE H 1 102 THR H 0.000 . 5.010 4.069 3.618 4.613 . 0 0 "[ . 1 . ]" 1
787 1 101 PHE H 1 103 GLN H 0.000 . 6.160 5.878 5.313 6.221 0.061 2 0 "[ . 1 . ]" 1
788 1 101 PHE HA 1 101 PHE QB 0.000 . 2.700 2.392 2.200 2.545 . 0 0 "[ . 1 . ]" 1
789 1 102 THR H 1 102 THR HB 0.000 . 3.640 3.077 2.505 3.538 . 0 0 "[ . 1 . ]" 1
790 1 102 THR H 1 103 GLN H 0.000 . 5.730 3.260 1.632 4.491 . 0 0 "[ . 1 . ]" 1
791 1 102 THR HA 1 103 GLN H 0.000 . 3.150 2.724 2.202 3.508 0.358 7 0 "[ . 1 . ]" 1
792 1 102 THR HB 1 103 GLN H 0.000 . 4.370 4.013 3.232 4.381 0.011 13 0 "[ . 1 . ]" 1
793 1 102 THR MG 1 103 GLN H 0.000 . 7.030 3.657 1.394 4.413 . 0 0 "[ . 1 . ]" 1
794 1 103 GLN HA 1 103 GLN QB 0.000 . 2.690 2.347 2.191 2.543 . 0 0 "[ . 1 . ]" 1
795 1 105 ASP HA 1 105 ASP HB3 0.000 . 3.080 2.591 2.254 2.964 . 0 0 "[ . 1 . ]" 1
796 1 105 ASP HA 1 105 ASP HB2 0.000 . 3.080 2.771 2.262 3.037 . 0 0 "[ . 1 . ]" 1
797 1 106 GLY H 1 107 SER H 0.000 . 6.000 2.510 2.177 2.691 . 0 0 "[ . 1 . ]" 1
798 1 107 SER H 1 108 ALA H 0.000 . 5.770 4.593 4.238 4.698 . 0 0 "[ . 1 . ]" 1
799 1 112 PRO HA 1 113 ALA H 0.000 . 3.490 3.261 2.268 3.583 0.093 10 0 "[ . 1 . ]" 1
800 1 115 LYS H 1 115 LYS QB 0.000 . 3.830 2.197 1.929 2.786 . 0 0 "[ . 1 . ]" 1
801 1 120 SER H 1 121 LYS HA 0.000 . 5.050 4.992 4.653 5.196 0.146 19 0 "[ . 1 . ]" 1
802 1 122 VAL H 1 122 VAL HB 0.000 . 4.140 2.703 2.005 3.527 . 0 0 "[ . 1 . ]" 1
803 1 122 VAL H 1 123 ASP H 0.000 . 5.660 4.514 4.136 4.690 . 0 0 "[ . 1 . ]" 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 72
_Distance_constraint_stats_list.Viol_count 315
_Distance_constraint_stats_list.Viol_total 243.103
_Distance_constraint_stats_list.Viol_max 0.118
_Distance_constraint_stats_list.Viol_rms 0.0217
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0094
_Distance_constraint_stats_list.Viol_average_violations_only 0.0406
_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 7 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 9 TYR 0.019 0.019 17 0 "[ . 1 . ]"
1 12 VAL 0.019 0.019 17 0 "[ . 1 . ]"
1 14 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 17 PHE 0.120 0.029 11 0 "[ . 1 . ]"
1 19 HIS 0.693 0.085 16 0 "[ . 1 . ]"
1 22 GLY 0.693 0.085 16 0 "[ . 1 . ]"
1 24 ILE 0.120 0.029 11 0 "[ . 1 . ]"
1 33 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 35 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 36 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 39 LEU 0.782 0.060 7 0 "[ . 1 . ]"
1 41 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 42 ALA 0.782 0.060 7 0 "[ . 1 . ]"
1 46 LYS 1.081 0.072 8 0 "[ . 1 . ]"
1 48 LYS 1.167 0.076 1 0 "[ . 1 . ]"
1 49 ARG 1.690 0.072 8 0 "[ . 1 . ]"
1 50 THR 0.051 0.022 7 0 "[ . 1 . ]"
1 51 ARG 1.167 0.076 1 0 "[ . 1 . ]"
1 52 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 53 LEU 0.660 0.067 17 0 "[ . 1 . ]"
1 54 GLU 0.059 0.025 9 0 "[ . 1 . ]"
1 55 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 57 VAL 0.001 0.001 7 0 "[ . 1 . ]"
1 58 LEU 0.059 0.025 9 0 "[ . 1 . ]"
1 60 GLU 0.001 0.001 7 0 "[ . 1 . ]"
1 70 GLY 4.037 0.118 11 0 "[ . 1 . ]"
1 73 GLN 4.012 0.118 11 0 "[ . 1 . ]"
1 74 GLY 0.750 0.089 5 0 "[ . 1 . ]"
1 75 THR 0.725 0.092 18 0 "[ . 1 . ]"
1 77 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 78 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 79 LEU 1.320 0.077 11 0 "[ . 1 . ]"
1 81 ILE 0.723 0.052 9 0 "[ . 1 . ]"
1 82 ALA 0.032 0.014 5 0 "[ . 1 . ]"
1 83 LYS 1.346 0.077 11 0 "[ . 1 . ]"
1 85 LEU 0.751 0.052 9 0 "[ . 1 . ]"
1 86 ALA 0.327 0.095 1 0 "[ . 1 . ]"
1 87 GLU 0.025 0.013 1 0 "[ . 1 . ]"
1 90 SER 0.323 0.095 1 0 "[ . 1 . ]"
1 91 VAL 0.007 0.007 13 0 "[ . 1 . ]"
1 93 ASP 0.429 0.066 4 0 "[ . 1 . ]"
1 95 LEU 0.007 0.007 13 0 "[ . 1 . ]"
1 96 LYS 0.601 0.066 4 0 "[ . 1 . ]"
1 97 PRO 0.421 0.078 4 0 "[ . 1 . ]"
1 100 ASP 0.287 0.040 2 0 "[ . 1 . ]"
1 101 PHE 0.305 0.078 4 0 "[ . 1 . ]"
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 7 ALA O 1 14 VAL N 0.000 . 3.000 2.150 1.767 2.667 . 0 0 "[ . 1 . ]" 2
2 1 9 TYR N 1 12 VAL O 0.000 . 3.000 2.772 2.561 2.965 . 0 0 "[ . 1 . ]" 2
3 1 9 TYR O 1 12 VAL N 0.000 . 3.000 2.761 2.603 2.870 . 0 0 "[ . 1 . ]" 2
4 1 17 PHE N 1 24 ILE O 0.000 . 3.000 2.772 2.164 3.019 0.019 17 0 "[ . 1 . ]" 2
5 1 17 PHE O 1 24 ILE N 0.000 . 3.000 2.135 1.771 2.416 . 0 0 "[ . 1 . ]" 2
6 1 19 HIS O 1 22 GLY N 0.000 . 3.000 3.036 3.008 3.085 0.085 16 0 "[ . 1 . ]" 2
7 1 33 VAL N 1 77 VAL O 0.000 . 3.000 2.165 1.799 2.735 . 0 0 "[ . 1 . ]" 2
8 1 33 VAL O 1 77 VAL N 0.000 . 3.000 2.117 1.836 2.536 . 0 0 "[ . 1 . ]" 2
9 1 35 ALA O 1 39 LEU N 0.000 . 3.000 2.243 2.130 2.323 . 0 0 "[ . 1 . ]" 2
10 1 36 THR O 1 41 ALA N 0.000 . 3.000 2.358 2.120 2.593 . 0 0 "[ . 1 . ]" 2
11 1 39 LEU O 1 42 ALA N 0.000 . 3.000 3.039 2.997 3.060 0.060 7 0 "[ . 1 . ]" 2
12 1 46 LYS O 1 49 ARG N 0.000 . 3.000 2.727 2.720 2.736 . 0 0 "[ . 1 . ]" 2
13 1 46 LYS O 1 50 THR N 0.000 . 3.000 2.976 2.934 3.022 0.022 7 0 "[ . 1 . ]" 2
14 1 48 LYS O 1 51 ARG N 0.000 . 3.000 2.969 2.944 3.008 0.008 12 0 "[ . 1 . ]" 2
15 1 48 LYS O 1 52 ILE N 0.000 . 3.000 2.734 2.537 2.889 . 0 0 "[ . 1 . ]" 2
16 1 49 ARG O 1 53 LEU N 0.000 . 3.000 2.959 2.917 3.016 0.016 7 0 "[ . 1 . ]" 2
17 1 51 ARG O 1 55 LYS N 0.000 . 3.000 2.467 2.227 2.656 . 0 0 "[ . 1 . ]" 2
18 1 53 LEU O 1 57 VAL N 0.000 . 3.000 2.333 2.161 2.625 . 0 0 "[ . 1 . ]" 2
19 1 54 GLU O 1 58 LEU N 0.000 . 3.000 2.445 2.157 2.639 . 0 0 "[ . 1 . ]" 2
20 1 57 VAL O 1 60 GLU N 0.000 . 3.000 2.277 2.016 2.665 . 0 0 "[ . 1 . ]" 2
21 1 70 GLY O 1 73 GLN N 0.000 . 3.000 3.104 3.082 3.118 0.118 11 0 "[ . 1 . ]" 2
22 1 70 GLY O 1 74 GLY N 0.000 . 3.000 3.039 3.012 3.089 0.089 5 0 "[ . 1 . ]" 2
23 1 73 GLN O 1 75 THR N 0.000 . 3.000 2.717 2.540 2.823 . 0 0 "[ . 1 . ]" 2
24 1 78 PRO O 1 81 ILE N 0.000 . 3.000 2.634 2.574 2.686 . 0 0 "[ . 1 . ]" 2
25 1 78 PRO O 1 82 ALA N 0.000 . 3.000 2.413 2.300 2.567 . 0 0 "[ . 1 . ]" 2
26 1 79 LEU O 1 83 LYS N 0.000 . 3.000 3.054 3.029 3.077 0.077 11 0 "[ . 1 . ]" 2
27 1 81 ILE O 1 85 LEU N 0.000 . 3.000 2.986 2.924 3.026 0.026 18 0 "[ . 1 . ]" 2
28 1 82 ALA O 1 85 LEU N 0.000 . 3.000 2.893 2.784 2.998 . 0 0 "[ . 1 . ]" 2
29 1 82 ALA O 1 86 ALA N 0.000 . 3.000 2.857 2.714 3.004 0.004 5 0 "[ . 1 . ]" 2
30 1 83 LYS O 1 87 GLU N 0.000 . 3.000 2.667 2.537 3.013 0.013 1 0 "[ . 1 . ]" 2
31 1 86 ALA O 1 90 SER N 0.000 . 3.000 2.892 2.840 2.981 . 0 0 "[ . 1 . ]" 2
32 1 91 VAL O 1 95 LEU N 0.000 . 3.000 2.754 2.484 3.007 0.007 13 0 "[ . 1 . ]" 2
33 1 93 ASP O 1 96 LYS N 0.000 . 3.000 2.928 2.711 3.052 0.052 16 0 "[ . 1 . ]" 2
34 1 96 LYS O 1 100 ASP N 0.000 . 3.000 2.828 2.374 3.040 0.040 2 0 "[ . 1 . ]" 2
35 1 97 PRO O 1 100 ASP N 0.000 . 3.000 2.707 2.439 2.937 . 0 0 "[ . 1 . ]" 2
36 1 97 PRO O 1 101 PHE N 0.000 . 3.000 2.832 2.280 3.040 0.040 4 0 "[ . 1 . ]" 2
37 1 7 ALA O 1 14 VAL H 0.000 . 2.200 1.278 0.955 1.742 . 0 0 "[ . 1 . ]" 2
38 1 9 TYR H 1 12 VAL O 0.000 . 2.200 2.047 1.826 2.219 0.019 17 0 "[ . 1 . ]" 2
39 1 9 TYR O 1 12 VAL H 0.000 . 2.200 1.907 1.772 2.000 . 0 0 "[ . 1 . ]" 2
40 1 17 PHE H 1 24 ILE O 0.000 . 2.200 1.981 1.341 2.229 0.029 11 0 "[ . 1 . ]" 2
41 1 17 PHE O 1 24 ILE H 0.000 . 2.200 1.494 1.058 1.852 . 0 0 "[ . 1 . ]" 2
42 1 19 HIS O 1 22 GLY H 0.000 . 2.200 2.135 2.096 2.178 . 0 0 "[ . 1 . ]" 2
43 1 33 VAL H 1 77 VAL O 0.000 . 2.200 1.393 1.062 1.838 . 0 0 "[ . 1 . ]" 2
44 1 33 VAL O 1 77 VAL H 0.000 . 2.200 1.493 1.313 1.785 . 0 0 "[ . 1 . ]" 2
45 1 35 ALA O 1 39 LEU H 0.000 . 2.200 1.294 1.203 1.360 . 0 0 "[ . 1 . ]" 2
46 1 36 THR O 1 41 ALA H 0.000 . 2.200 1.720 1.560 1.884 . 0 0 "[ . 1 . ]" 2
47 1 39 LEU O 1 42 ALA H 0.000 . 2.200 2.178 2.106 2.208 0.008 17 0 "[ . 1 . ]" 2
48 1 46 LYS O 1 49 ARG H 0.000 . 2.200 2.254 2.239 2.272 0.072 8 0 "[ . 1 . ]" 2
49 1 46 LYS O 1 50 THR H 0.000 . 2.200 2.087 2.034 2.135 . 0 0 "[ . 1 . ]" 2
50 1 48 LYS O 1 51 ARG H 0.000 . 2.200 2.261 2.237 2.276 0.076 1 0 "[ . 1 . ]" 2
51 1 48 LYS O 1 52 ILE H 0.000 . 2.200 1.985 1.701 2.167 . 0 0 "[ . 1 . ]" 2
52 1 49 ARG O 1 53 LEU H 0.000 . 2.200 2.233 2.206 2.267 0.067 17 0 "[ . 1 . ]" 2
53 1 51 ARG O 1 55 LYS H 0.000 . 2.200 1.516 1.381 1.697 . 0 0 "[ . 1 . ]" 2
54 1 53 LEU O 1 57 VAL H 0.000 . 2.200 1.407 1.254 1.826 . 0 0 "[ . 1 . ]" 2
55 1 54 GLU O 1 58 LEU H 0.000 . 2.200 1.895 1.502 2.225 0.025 9 0 "[ . 1 . ]" 2
56 1 57 VAL O 1 60 GLU H 0.000 . 2.200 1.568 1.151 2.201 0.001 7 0 "[ . 1 . ]" 2
57 1 70 GLY O 1 73 GLN H 0.000 . 2.200 2.269 2.237 2.287 0.087 11 0 "[ . 1 . ]" 2
58 1 70 GLY O 1 74 GLY H 0.000 . 2.200 2.064 2.032 2.111 . 0 0 "[ . 1 . ]" 2
59 1 73 GLN O 1 75 THR H 0.000 . 2.200 2.080 1.689 2.292 0.092 18 0 "[ . 1 . ]" 2
60 1 78 PRO O 1 81 ILE H 0.000 . 2.200 1.838 1.690 1.982 . 0 0 "[ . 1 . ]" 2
61 1 78 PRO O 1 82 ALA H 0.000 . 2.200 1.441 1.326 1.600 . 0 0 "[ . 1 . ]" 2
62 1 79 LEU O 1 83 LYS H 0.000 . 2.200 2.208 2.150 2.232 0.032 5 0 "[ . 1 . ]" 2
63 1 81 ILE O 1 85 LEU H 0.000 . 2.200 2.230 2.171 2.252 0.052 9 0 "[ . 1 . ]" 2
64 1 82 ALA O 1 85 LEU H 0.000 . 2.200 2.145 2.047 2.214 0.014 5 0 "[ . 1 . ]" 2
65 1 82 ALA O 1 86 ALA H 0.000 . 2.200 1.888 1.743 2.032 . 0 0 "[ . 1 . ]" 2
66 1 83 LYS O 1 87 GLU H 0.000 . 2.200 2.094 2.003 2.181 . 0 0 "[ . 1 . ]" 2
67 1 86 ALA O 1 90 SER H 0.000 . 2.200 2.173 2.065 2.295 0.095 1 0 "[ . 1 . ]" 2
68 1 91 VAL O 1 95 LEU H 0.000 . 2.200 1.818 1.534 2.092 . 0 0 "[ . 1 . ]" 2
69 1 93 ASP O 1 96 LYS H 0.000 . 2.200 2.214 2.157 2.266 0.066 4 0 "[ . 1 . ]" 2
70 1 96 LYS O 1 100 ASP H 0.000 . 2.200 2.085 1.749 2.210 0.010 9 0 "[ . 1 . ]" 2
71 1 97 PRO O 1 100 ASP H 0.000 . 2.200 2.087 1.840 2.226 0.026 16 0 "[ . 1 . ]" 2
72 1 97 PRO O 1 101 PHE H 0.000 . 2.200 1.982 1.394 2.278 0.078 4 0 "[ . 1 . ]" 2
stop_
save_
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