NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
382641 |
1jli   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1jli
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 1032
_Distance_constraint_stats_list.Viol_count 31
_Distance_constraint_stats_list.Viol_total 2.188
_Distance_constraint_stats_list.Viol_max 0.411
_Distance_constraint_stats_list.Viol_rms 0.0192
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0706
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ASN 0.000 0.000 . 0 "[ ]"
1 3 CYS 0.028 0.028 1 0 "[ ]"
1 4 SER 0.000 0.000 . 0 "[ ]"
1 5 ILE 0.000 0.000 . 0 "[ ]"
1 6 MET 0.008 0.008 1 0 "[ ]"
1 7 ILE 0.036 0.028 1 0 "[ ]"
1 8 ASP 0.051 0.051 1 0 "[ ]"
1 9 GLU 0.117 0.066 1 0 "[ ]"
1 10 ILE 0.066 0.066 1 0 "[ ]"
1 11 ILE 0.000 0.000 . 0 "[ ]"
1 12 HIS 0.000 0.000 . 0 "[ ]"
1 13 HIS 0.000 0.000 . 0 "[ ]"
1 14 LEU 0.000 0.000 . 0 "[ ]"
1 15 LYS 0.000 0.000 . 0 "[ ]"
1 16 ARG 0.000 0.000 . 0 "[ ]"
1 17 PRO 0.000 0.000 . 0 "[ ]"
1 18 PRO 0.059 0.059 1 0 "[ ]"
1 19 ASN 0.059 0.059 1 0 "[ ]"
1 20 PRO 0.022 0.022 1 0 "[ ]"
1 21 LEU 0.000 0.000 . 0 "[ ]"
1 22 LEU 0.002 0.002 1 0 "[ ]"
1 23 ASP 0.002 0.002 1 0 "[ ]"
1 24 PRO 0.000 0.000 . 0 "[ ]"
1 25 ASN 0.263 0.263 1 0 "[ ]"
1 26 ASN 0.000 0.000 . 0 "[ ]"
1 27 LEU 0.135 0.135 1 0 "[ ]"
1 28 ASN 0.000 0.000 . 0 "[ ]"
1 29 SER 0.000 0.000 . 0 "[ ]"
1 30 GLU 0.005 0.005 1 0 "[ ]"
1 31 ASP 0.000 0.000 . 0 "[ ]"
1 32 MET 0.032 0.032 1 0 "[ ]"
1 33 ASP 0.036 0.032 1 0 "[ ]"
1 34 ILE 0.035 0.035 1 0 "[ ]"
1 35 LEU 0.473 0.411 1 0 "[ ]"
1 36 MET 0.000 0.000 . 0 "[ ]"
1 37 GLU 0.000 0.000 . 0 "[ ]"
1 38 ARG 0.000 0.000 . 0 "[ ]"
1 39 ASN 0.000 0.000 . 0 "[ ]"
1 40 LEU 0.000 0.000 . 0 "[ ]"
1 41 ARG 0.411 0.411 1 0 "[ ]"
1 42 THR 0.000 0.000 . 0 "[ ]"
1 43 PRO 0.000 0.000 . 0 "[ ]"
1 44 ASN 0.035 0.035 1 0 "[ ]"
1 45 LEU 0.056 0.043 1 0 "[ ]"
1 46 LEU 0.000 0.000 . 0 "[ ]"
1 47 ALA 0.000 0.000 . 0 "[ ]"
1 48 PHE 0.075 0.062 1 0 "[ ]"
1 49 VAL 0.000 0.000 . 0 "[ ]"
1 50 ARG 0.000 0.000 . 0 "[ ]"
1 51 ALA 0.000 0.000 . 0 "[ ]"
1 52 VAL 0.185 0.168 1 0 "[ ]"
1 53 LYS 0.017 0.017 1 0 "[ ]"
1 54 HIS 0.000 0.000 . 0 "[ ]"
1 55 LEU 0.120 0.120 1 0 "[ ]"
1 56 GLU 0.014 0.014 1 0 "[ ]"
1 57 ASN 0.000 0.000 . 0 "[ ]"
1 58 ALA 0.133 0.120 1 0 "[ ]"
1 59 SER 0.000 0.000 . 0 "[ ]"
1 60 ALA 0.000 0.000 . 0 "[ ]"
1 61 ILE 0.000 0.000 . 0 "[ ]"
1 62 GLU 0.168 0.168 1 0 "[ ]"
1 63 SER 0.000 0.000 . 0 "[ ]"
1 64 ILE 0.000 0.000 . 0 "[ ]"
1 65 LEU 0.097 0.097 1 0 "[ ]"
1 66 LYS 0.000 0.000 . 0 "[ ]"
1 67 ASN 0.000 0.000 . 0 "[ ]"
1 68 LEU 0.043 0.043 1 0 "[ ]"
1 69 LEU 0.000 0.000 . 0 "[ ]"
1 70 PRO 0.000 0.000 . 0 "[ ]"
1 71 CYS 0.015 0.015 1 0 "[ ]"
1 72 LEU 0.066 0.051 1 0 "[ ]"
1 73 PRO 0.022 0.022 1 0 "[ ]"
1 74 LEU 0.000 0.000 . 0 "[ ]"
1 75 ALA 0.000 0.000 . 0 "[ ]"
1 76 THR 0.000 0.000 . 0 "[ ]"
1 77 ALA 0.000 0.000 . 0 "[ ]"
1 78 ALA 0.000 0.000 . 0 "[ ]"
1 79 PRO 0.000 0.000 . 0 "[ ]"
1 80 THR 0.000 0.000 . 0 "[ ]"
1 81 ARG 0.000 0.000 . 0 "[ ]"
1 82 HIS 0.000 0.000 . 0 "[ ]"
1 83 PRO 0.000 0.000 . 0 "[ ]"
1 84 ILE 0.151 0.151 1 0 "[ ]"
1 85 HIS 0.151 0.151 1 0 "[ ]"
1 86 ILE 0.028 0.028 1 0 "[ ]"
1 87 LYS 0.000 0.000 . 0 "[ ]"
1 88 ASP 0.004 0.004 1 0 "[ ]"
1 89 GLY 0.267 0.263 1 0 "[ ]"
1 90 ASP 0.000 0.000 . 0 "[ ]"
1 91 TRP 0.000 0.000 . 0 "[ ]"
1 92 ASN 0.000 0.000 . 0 "[ ]"
1 93 GLU 0.028 0.028 1 0 "[ ]"
1 94 PHE 0.142 0.142 1 0 "[ ]"
1 95 ARG 0.000 0.000 . 0 "[ ]"
1 96 ARG 0.135 0.135 1 0 "[ ]"
1 97 LYS 0.142 0.142 1 0 "[ ]"
1 98 LEU 0.097 0.097 1 0 "[ ]"
1 99 THR 0.000 0.000 . 0 "[ ]"
1 100 PHE 0.000 0.000 . 0 "[ ]"
1 101 TYR 0.000 0.000 . 0 "[ ]"
1 102 LEU 0.000 0.000 . 0 "[ ]"
1 103 LYS 0.000 0.000 . 0 "[ ]"
1 104 THR 0.000 0.000 . 0 "[ ]"
1 105 LEU 0.051 0.051 1 0 "[ ]"
1 106 GLU 0.000 0.000 . 0 "[ ]"
1 107 ASN 0.118 0.063 1 0 "[ ]"
1 108 ALA 0.055 0.055 1 0 "[ ]"
1 109 GLN 0.071 0.063 1 0 "[ ]"
1 110 ALA 0.008 0.008 1 0 "[ ]"
1 111 GLN 0.000 0.000 . 0 "[ ]"
1 112 GLN 0.000 0.000 . 0 "[ ]"
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 38 ARG H 1 39 ASN H 3.400 . 5.000 2.943 2.943 2.943 . 0 0 "[ ]" 1
2 1 80 THR H 1 81 ARG H 2.650 . 3.500 1.980 1.980 1.980 . 0 0 "[ ]" 1
3 1 76 THR H 1 77 ALA H 2.250 . 2.700 2.654 2.654 2.654 . 0 0 "[ ]" 1
4 1 95 ARG H 1 96 ARG H 2.650 . 3.500 2.840 2.840 2.840 . 0 0 "[ ]" 1
5 1 3 CYS H 1 4 SER H 2.650 . 3.500 2.749 2.749 2.749 . 0 0 "[ ]" 1
6 1 74 LEU H 1 75 ALA H 3.900 . 6.000 3.467 3.467 3.467 . 0 0 "[ ]" 1
7 1 102 LEU H 1 103 LYS H 3.900 . 6.000 3.019 3.019 3.019 . 0 0 "[ ]" 1
8 1 59 SER H 1 60 ALA H 3.400 . 5.000 2.827 2.827 2.827 . 0 0 "[ ]" 1
9 1 60 ALA H 1 61 ILE H 2.650 . 3.500 2.730 2.730 2.730 . 0 0 "[ ]" 1
10 1 4 SER H 1 5 ILE H 2.250 . 2.700 2.659 2.659 2.659 . 0 0 "[ ]" 1
11 1 46 LEU H 1 47 ALA H 2.650 . 3.500 2.540 2.540 2.540 . 0 0 "[ ]" 1
12 1 45 LEU H 1 46 LEU H 2.650 . 3.500 2.623 2.623 2.623 . 0 0 "[ ]" 1
13 1 30 GLU H 1 31 ASP H 2.650 . 3.500 2.672 2.672 2.672 . 0 0 "[ ]" 1
14 1 35 LEU H 1 36 MET H 3.400 . 5.000 2.864 2.864 2.864 . 0 0 "[ ]" 1
15 1 71 CYS H 1 72 LEU H 2.250 . 2.700 2.715 2.715 2.715 0.015 1 0 "[ ]" 1
16 1 110 ALA H 1 111 GLN H 2.650 . 3.500 2.646 2.646 2.646 . 0 0 "[ ]" 1
17 1 111 GLN H 1 112 GLN H 3.900 . 6.000 3.502 3.502 3.502 . 0 0 "[ ]" 1
18 1 49 VAL H 1 50 ARG H 2.650 . 3.500 2.280 2.280 2.280 . 0 0 "[ ]" 1
19 1 98 LEU H 1 99 THR H 2.650 . 3.500 2.828 2.828 2.828 . 0 0 "[ ]" 1
20 1 61 ILE H 1 62 GLU H 2.250 . 2.700 2.549 2.549 2.549 . 0 0 "[ ]" 1
21 1 62 GLU H 1 63 SER H 2.250 . 2.700 2.670 2.670 2.670 . 0 0 "[ ]" 1
22 1 109 GLN H 1 110 ALA H 2.650 . 3.500 2.467 2.467 2.467 . 0 0 "[ ]" 1
23 1 36 MET H 1 37 GLU H 2.250 . 2.700 2.400 2.400 2.400 . 0 0 "[ ]" 1
24 1 40 LEU H 1 41 ARG H 2.650 . 3.500 2.792 2.792 2.792 . 0 0 "[ ]" 1
25 1 48 PHE H 1 49 VAL H 2.250 . 2.700 2.241 2.241 2.241 . 0 0 "[ ]" 1
26 1 47 ALA H 1 48 PHE H 2.250 . 2.700 2.525 2.525 2.525 . 0 0 "[ ]" 1
27 1 8 ASP H 1 9 GLU H 2.250 . 2.700 2.751 2.751 2.751 0.051 1 0 "[ ]" 1
28 1 107 ASN H 1 108 ALA H 2.250 . 2.700 2.590 2.590 2.590 . 0 0 "[ ]" 1
29 1 6 MET H 1 7 ILE H 2.250 . 2.700 2.708 2.708 2.708 0.008 1 0 "[ ]" 1
30 1 105 LEU H 1 106 GLU H 2.650 . 3.500 2.958 2.958 2.958 . 0 0 "[ ]" 1
31 1 5 ILE H 1 6 MET H 2.250 . 2.700 2.555 2.555 2.555 . 0 0 "[ ]" 1
32 1 66 LYS H 1 67 ASN H 2.650 . 3.500 2.758 2.758 2.758 . 0 0 "[ ]" 1
33 1 68 LEU H 1 69 LEU H 2.250 . 2.700 2.480 2.480 2.480 . 0 0 "[ ]" 1
34 1 54 HIS H 1 55 LEU H 2.650 . 2.700 2.437 2.437 2.437 . 0 0 "[ ]" 1
35 1 104 THR H 1 105 LEU H 2.650 . 3.500 2.762 2.762 2.762 . 0 0 "[ ]" 1
36 1 52 VAL H 1 53 LYS H 2.250 . 2.700 2.717 2.717 2.717 0.017 1 0 "[ ]" 1
37 1 102 LEU HA 1 106 GLU H 3.900 . 6.000 4.120 4.120 4.120 . 0 0 "[ ]" 1
38 1 52 VAL HA 1 55 LEU H 3.900 . 6.000 2.919 2.919 2.919 . 0 0 "[ ]" 1
39 1 46 LEU HA 1 50 ARG H 3.900 . 6.000 4.449 4.449 4.449 . 0 0 "[ ]" 1
40 1 100 PHE HA 1 104 THR H 3.900 . 6.000 3.844 3.844 3.844 . 0 0 "[ ]" 1
41 1 91 TRP HA 1 94 PHE QB 3.900 . 6.000 2.755 2.755 2.755 . 0 0 "[ ]" 1
42 1 68 LEU HA 1 71 CYS QB 3.900 . 6.000 2.126 2.126 2.126 . 0 0 "[ ]" 1
43 1 52 VAL H 1 52 VAL HB 2.650 . 3.500 2.534 2.534 2.534 . 0 0 "[ ]" 1
44 1 7 ILE H 1 7 ILE QG 3.400 . 5.000 2.342 2.342 2.342 . 0 0 "[ ]" 1
45 1 96 ARG HA 1 96 ARG QB 2.650 . 3.500 2.415 2.415 2.415 . 0 0 "[ ]" 1
46 1 16 ARG QB 1 17 PRO QD 3.400 . 5.000 3.807 3.807 3.807 . 0 0 "[ ]" 1
47 1 97 LYS QB 1 97 LYS QD 2.250 . 2.700 2.016 2.016 2.016 . 0 0 "[ ]" 1
48 1 38 ARG H 1 38 ARG QB 3.400 . 5.000 2.752 2.752 2.752 . 0 0 "[ ]" 1
49 1 56 GLU H 1 56 GLU QB 2.650 . 3.500 2.154 2.154 2.154 . 0 0 "[ ]" 1
50 1 77 ALA HA 1 78 ALA H 2.650 . 3.500 2.472 2.472 2.472 . 0 0 "[ ]" 1
51 1 50 ARG H 1 50 ARG QB 2.650 . 3.500 2.164 2.164 2.164 . 0 0 "[ ]" 1
52 1 50 ARG QB 1 51 ALA H 2.650 . 3.500 2.471 2.471 2.471 . 0 0 "[ ]" 1
53 1 24 PRO HA 1 24 PRO QD 2.650 . 3.500 3.438 3.438 3.438 . 0 0 "[ ]" 1
54 1 56 GLU HA 1 56 GLU QB 2.650 . 3.500 2.482 2.482 2.482 . 0 0 "[ ]" 1
55 1 38 ARG HA 1 38 ARG QB 2.650 . 3.500 2.175 2.175 2.175 . 0 0 "[ ]" 1
56 1 19 ASN HA 1 20 PRO QD 2.650 . 3.500 2.041 2.041 2.041 . 0 0 "[ ]" 1
57 1 38 ARG QB 1 38 ARG QD 2.650 . 3.500 2.109 2.109 2.109 . 0 0 "[ ]" 1
58 1 50 ARG QB 1 50 ARG QD 2.650 . 3.500 2.181 2.181 2.181 . 0 0 "[ ]" 1
59 1 19 ASN HA 1 19 ASN QB 2.650 . 3.500 2.411 2.411 2.411 . 0 0 "[ ]" 1
60 1 93 GLU H 1 93 GLU QB 3.400 . 3.500 2.304 2.304 2.304 . 0 0 "[ ]" 1
61 1 85 HIS H 1 85 HIS QB 3.400 . 5.000 2.705 2.705 2.705 . 0 0 "[ ]" 1
62 1 66 LYS H 1 66 LYS QD 3.900 . 6.000 3.744 3.744 3.744 . 0 0 "[ ]" 1
63 1 69 LEU H 1 70 PRO QD 3.400 . 5.000 2.273 2.273 2.273 . 0 0 "[ ]" 1
64 1 79 PRO HA 1 79 PRO QD 2.650 . 3.500 3.452 3.452 3.452 . 0 0 "[ ]" 1
65 1 85 HIS HA 1 85 HIS QB 2.650 . 3.500 2.438 2.438 2.438 . 0 0 "[ ]" 1
66 1 78 ALA HA 1 79 PRO QD 3.900 . 5.000 1.962 1.962 1.962 . 0 0 "[ ]" 1
67 1 66 LYS HA 1 66 LYS QD 3.400 . 5.000 4.398 4.398 4.398 . 0 0 "[ ]" 1
68 1 82 HIS QB 1 83 PRO QD 2.650 . 3.500 2.290 2.290 2.290 . 0 0 "[ ]" 1
69 1 11 ILE HA 1 11 ILE QG 3.400 . 5.000 2.875 2.875 2.875 . 0 0 "[ ]" 1
70 1 70 PRO QD 1 70 PRO QG 2.250 . 2.700 1.971 1.971 1.971 . 0 0 "[ ]" 1
71 1 62 GLU QG 1 66 LYS QD 2.650 . 3.500 2.840 2.840 2.840 . 0 0 "[ ]" 1
72 1 11 ILE HB 1 11 ILE QG 2.650 . 3.500 2.200 2.200 2.200 . 0 0 "[ ]" 1
73 1 69 LEU QB 1 70 PRO QD 2.250 . 2.700 1.847 1.847 1.847 . 0 0 "[ ]" 1
74 1 66 LYS QB 1 66 LYS QD 2.250 . 2.700 2.140 2.140 2.140 . 0 0 "[ ]" 1
75 1 87 LYS QD 1 87 LYS QG 2.250 . 2.700 2.074 2.074 2.074 . 0 0 "[ ]" 1
76 1 78 ALA MB 1 79 PRO QD 3.650 . 5.500 2.447 2.447 2.447 . 0 0 "[ ]" 1
77 1 66 LYS QD 1 66 LYS QG 2.250 . 2.700 2.047 2.047 2.047 . 0 0 "[ ]" 1
78 1 9 GLU H 1 9 GLU QB 3.400 . 5.000 2.297 2.297 2.297 . 0 0 "[ ]" 1
79 1 30 GLU H 1 30 GLU QB 2.650 . 3.500 2.264 2.264 2.264 . 0 0 "[ ]" 1
80 1 106 GLU H 1 106 GLU QB 2.650 . 3.500 2.216 2.216 2.216 . 0 0 "[ ]" 1
81 1 54 HIS H 1 54 HIS QB 3.400 . 5.000 2.284 2.284 2.284 . 0 0 "[ ]" 1
82 1 37 GLU H 1 37 GLU QB 3.400 . 3.500 2.145 2.145 2.145 . 0 0 "[ ]" 1
83 1 53 LYS H 1 53 LYS QD 2.250 . 2.700 2.463 2.463 2.463 . 0 0 "[ ]" 1
84 1 82 HIS HA 1 83 PRO QD 2.650 . 3.500 1.978 1.978 1.978 . 0 0 "[ ]" 1
85 1 48 PHE HA 1 48 PHE QD 3.650 . 5.500 2.041 2.041 2.041 . 0 0 "[ ]" 1
86 1 45 LEU HA 1 48 PHE QD 3.650 . 5.500 1.787 1.787 1.787 0.013 1 0 "[ ]" 1
87 1 109 GLN HA 1 109 GLN QB 2.650 . 3.500 2.438 2.438 2.438 . 0 0 "[ ]" 1
88 1 106 GLU HA 1 106 GLU QB 2.650 . 3.500 2.449 2.449 2.449 . 0 0 "[ ]" 1
89 1 30 GLU HA 1 30 GLU QB 2.650 . 3.500 2.419 2.419 2.419 . 0 0 "[ ]" 1
90 1 53 LYS HA 1 53 LYS QD 2.650 . 3.500 2.272 2.272 2.272 . 0 0 "[ ]" 1
91 1 106 GLU QB 1 106 GLU QG 2.250 . 2.700 2.091 2.091 2.091 . 0 0 "[ ]" 1
92 1 73 PRO QB 1 73 PRO QD 3.400 . 3.500 2.954 2.954 2.954 . 0 0 "[ ]" 1
93 1 72 LEU QB 1 73 PRO QD 3.900 . 6.000 2.150 2.150 2.150 . 0 0 "[ ]" 1
94 1 72 LEU QD 1 73 PRO QD 3.650 . 5.500 2.897 2.897 2.897 . 0 0 "[ ]" 1
95 1 5 ILE QG 1 5 ILE MG 2.900 . 4.000 2.309 2.309 2.309 . 0 0 "[ ]" 1
96 1 42 THR H 1 43 PRO QD 3.400 . 5.000 2.180 2.180 2.180 . 0 0 "[ ]" 1
97 1 12 HIS H 1 12 HIS QB 2.650 . 3.500 2.243 2.243 2.243 . 0 0 "[ ]" 1
98 1 5 ILE H 1 5 ILE QG 3.400 . 5.000 1.988 1.988 1.988 . 0 0 "[ ]" 1
99 1 82 HIS HA 1 82 HIS QB 2.650 . 3.500 2.397 2.397 2.397 . 0 0 "[ ]" 1
100 1 40 LEU HA 1 43 PRO QD 3.400 . 5.000 2.638 2.638 2.638 . 0 0 "[ ]" 1
101 1 42 THR HB 1 43 PRO QD 3.400 . 5.000 2.553 2.553 2.553 . 0 0 "[ ]" 1
102 1 12 HIS HA 1 12 HIS QB 2.650 . 3.500 2.393 2.393 2.393 . 0 0 "[ ]" 1
103 1 40 LEU HA 1 43 PRO QG 3.400 . 5.000 2.016 2.016 2.016 . 0 0 "[ ]" 1
104 1 9 GLU HA 1 12 HIS QB 2.650 . 3.500 3.283 3.283 3.283 . 0 0 "[ ]" 1
105 1 43 PRO HA 1 43 PRO QG 3.400 . 5.000 3.535 3.535 3.535 . 0 0 "[ ]" 1
106 1 50 ARG HA 1 50 ARG QG 2.650 . 3.500 2.220 2.220 2.220 . 0 0 "[ ]" 1
107 1 86 ILE HA 1 86 ILE QG 2.650 . 3.500 3.199 3.199 3.199 . 0 0 "[ ]" 1
108 1 64 ILE HA 1 64 ILE QG 3.400 . 5.000 3.015 3.015 3.015 . 0 0 "[ ]" 1
109 1 5 ILE HA 1 5 ILE QG 3.400 . 5.000 2.447 2.447 2.447 . 0 0 "[ ]" 1
110 1 96 ARG HE 1 96 ARG QG 2.650 . 3.500 2.959 2.959 2.959 . 0 0 "[ ]" 1
111 1 76 THR HA 1 76 THR MG 2.900 . 4.000 3.201 3.201 3.201 . 0 0 "[ ]" 1
112 1 42 THR MG 1 43 PRO QD 4.150 . 6.500 1.953 1.953 1.953 . 0 0 "[ ]" 1
113 1 86 ILE HB 1 86 ILE QG 2.650 . 3.500 2.214 2.214 2.214 . 0 0 "[ ]" 1
114 1 86 ILE QG 1 86 ILE MG 2.900 . 4.000 2.164 2.164 2.164 . 0 0 "[ ]" 1
115 1 35 LEU H 1 35 LEU HG 3.400 . 5.000 2.043 2.043 2.043 . 0 0 "[ ]" 1
116 1 41 ARG H 1 41 ARG QG 3.400 . 5.000 4.057 4.057 4.057 . 0 0 "[ ]" 1
117 1 64 ILE H 1 64 ILE QG 2.650 . 3.500 1.985 1.985 1.985 . 0 0 "[ ]" 1
118 1 94 PHE QE 1 98 LEU QD 4.400 . 7.000 4.302 4.302 4.302 . 0 0 "[ ]" 1
119 1 42 THR HA 1 42 THR HB 2.650 . 3.500 2.874 2.874 2.874 . 0 0 "[ ]" 1
120 1 73 PRO HA 1 73 PRO QG 2.650 . 3.500 3.522 3.522 3.522 0.022 1 0 "[ ]" 1
121 1 83 PRO HA 1 83 PRO QG 3.400 . 5.000 3.549 3.549 3.549 . 0 0 "[ ]" 1
122 1 96 ARG HA 1 96 ARG QG 2.650 . 3.500 2.320 2.320 2.320 . 0 0 "[ ]" 1
123 1 45 LEU QB 1 45 LEU HG 2.650 . 3.500 2.479 2.479 2.479 . 0 0 "[ ]" 1
124 1 42 THR HA 1 42 THR MG 2.900 . 4.000 2.906 2.906 2.906 . 0 0 "[ ]" 1
125 1 98 LEU QB 1 98 LEU QD 2.500 . 3.200 1.894 1.894 1.894 . 0 0 "[ ]" 1
126 1 98 LEU QD 1 102 LEU QD 4.400 . 6.000 2.148 2.148 2.148 . 0 0 "[ ]" 1
127 1 46 LEU H 1 46 LEU HG 3.400 . 5.000 4.330 4.330 4.330 . 0 0 "[ ]" 1
128 1 81 ARG QG 1 82 HIS H 3.400 . 5.000 3.512 3.512 3.512 . 0 0 "[ ]" 1
129 1 72 LEU H 1 72 LEU HG 2.650 . 3.500 2.315 2.315 2.315 . 0 0 "[ ]" 1
130 1 81 ARG H 1 81 ARG QG 3.400 . 5.000 2.010 2.010 2.010 . 0 0 "[ ]" 1
131 1 40 LEU H 1 40 LEU QD 4.150 . 5.500 2.175 2.175 2.175 . 0 0 "[ ]" 1
132 1 40 LEU QD 1 44 ASN QD 4.150 . 6.500 3.461 3.461 3.461 . 0 0 "[ ]" 1
133 1 20 PRO HA 1 20 PRO QG 2.650 . 3.500 3.522 3.522 3.522 0.022 1 0 "[ ]" 1
134 1 81 ARG HA 1 81 ARG QG 2.650 . 3.500 3.285 3.285 3.285 . 0 0 "[ ]" 1
135 1 99 THR HA 1 99 THR HB 2.650 . 3.500 3.038 3.038 3.038 . 0 0 "[ ]" 1
136 1 38 ARG HA 1 38 ARG QG 3.400 . 3.500 3.279 3.279 3.279 . 0 0 "[ ]" 1
137 1 37 GLU QB 1 40 LEU QD 2.900 . 4.000 1.936 1.936 1.936 . 0 0 "[ ]" 1
138 1 40 LEU QD 1 43 PRO QG 2.900 . 4.000 2.037 2.037 2.037 . 0 0 "[ ]" 1
139 1 68 LEU QB 1 68 LEU HG 2.650 . 3.500 2.497 2.497 2.497 . 0 0 "[ ]" 1
140 1 99 THR MG 1 100 PHE QD 4.150 . 6.500 4.569 4.569 4.569 . 0 0 "[ ]" 1
141 1 99 THR HA 1 99 THR MG 3.400 . 5.000 2.439 2.439 2.439 . 0 0 "[ ]" 1
142 1 65 LEU H 1 65 LEU QD . . 3.200 2.550 2.550 2.550 . 0 0 "[ ]" 1
143 1 66 LYS H 1 66 LYS QG 3.400 . 5.000 2.427 2.427 2.427 . 0 0 "[ ]" 1
144 1 72 LEU H 1 72 LEU QD 3.650 . 5.500 3.119 3.119 3.119 . 0 0 "[ ]" 1
145 1 72 LEU HA 1 72 LEU QD 3.650 . 4.000 1.980 1.980 1.980 . 0 0 "[ ]" 1
146 1 45 LEU HA 1 45 LEU QD 2.900 . 4.000 2.735 2.735 2.735 . 0 0 "[ ]" 1
147 1 66 LYS HA 1 66 LYS QG 3.400 . 5.000 3.337 3.337 3.337 . 0 0 "[ ]" 1
148 1 65 LEU HA 1 65 LEU QD 3.650 . 4.000 2.572 2.572 2.572 . 0 0 "[ ]" 1
149 1 62 GLU HA 1 65 LEU QD 3.650 . 5.500 2.478 2.478 2.478 . 0 0 "[ ]" 1
150 1 37 GLU QB 1 38 ARG H 3.400 . 5.000 3.643 3.643 3.643 . 0 0 "[ ]" 1
151 1 38 ARG H 1 38 ARG QG 3.900 . 6.000 1.972 1.972 1.972 . 0 0 "[ ]" 1
152 1 10 ILE HA 1 11 ILE H 3.400 . 5.000 3.503 3.503 3.503 . 0 0 "[ ]" 1
153 1 68 LEU HA 1 68 LEU QD 3.650 . 4.000 2.503 2.503 2.503 . 0 0 "[ ]" 1
154 1 10 ILE HA 1 13 HIS QB 3.400 . 5.000 2.887 2.887 2.887 . 0 0 "[ ]" 1
155 1 10 ILE HA 1 10 ILE QG 3.400 . 5.000 2.564 2.564 2.564 . 0 0 "[ ]" 1
156 1 7 ILE HA 1 7 ILE QG 3.400 . 5.000 2.468 2.468 2.468 . 0 0 "[ ]" 1
157 1 55 LEU QB 1 55 LEU HG 2.250 . 2.700 2.328 2.328 2.328 . 0 0 "[ ]" 1
158 1 49 VAL HA 1 49 VAL QG 2.900 . 4.000 2.150 2.150 2.150 . 0 0 "[ ]" 1
159 1 98 LEU HG 1 102 LEU QD 2.500 . 3.200 2.300 2.300 2.300 . 0 0 "[ ]" 1
160 1 91 TRP H 1 92 ASN H 3.400 . 5.000 2.760 2.760 2.760 . 0 0 "[ ]" 1
161 1 74 LEU H 1 74 LEU QD 3.650 . 5.500 3.646 3.646 3.646 . 0 0 "[ ]" 1
162 1 90 ASP HA 1 91 TRP H 2.650 . 3.500 2.232 2.232 2.232 . 0 0 "[ ]" 1
163 1 88 ASP HA 1 89 GLY HA2 3.400 . 5.000 4.934 4.934 4.934 . 0 0 "[ ]" 1
164 1 27 LEU HA 1 27 LEU QD 3.650 . 5.500 3.353 3.353 3.353 . 0 0 "[ ]" 1
165 1 86 ILE HA 1 87 LYS H 2.650 . 3.500 2.823 2.823 2.823 . 0 0 "[ ]" 1
166 1 69 LEU HA 1 69 LEU QD 3.650 . 4.000 2.571 2.571 2.571 . 0 0 "[ ]" 1
167 1 43 PRO HA 1 46 LEU QD 2.900 . 4.000 2.708 2.708 2.708 . 0 0 "[ ]" 1
168 1 66 LYS HA 1 69 LEU QD 3.650 . 5.500 2.021 2.021 2.021 . 0 0 "[ ]" 1
169 1 105 LEU HA 1 105 LEU QD 3.650 . 4.000 1.988 1.988 1.988 . 0 0 "[ ]" 1
170 1 91 TRP H 1 91 TRP QB 3.400 . 5.000 2.189 2.189 2.189 . 0 0 "[ ]" 1
171 1 52 VAL HA 1 55 LEU QD 3.650 . 5.500 2.645 2.645 2.645 . 0 0 "[ ]" 1
172 1 27 LEU QD 1 31 ASP QB 4.150 . 6.500 2.561 2.561 2.561 . 0 0 "[ ]" 1
173 1 87 LYS H 1 87 LYS QB 3.400 . 5.000 2.411 2.411 2.411 . 0 0 "[ ]" 1
174 1 43 PRO HA 1 46 LEU QB 3.400 . 5.000 2.455 2.455 2.455 . 0 0 "[ ]" 1
175 1 87 LYS QB 1 87 LYS QG 2.250 . 2.700 2.028 2.028 2.028 . 0 0 "[ ]" 1
176 1 87 LYS H 1 87 LYS QG 3.900 . 6.000 4.218 4.218 4.218 . 0 0 "[ ]" 1
177 1 86 ILE MG 1 87 LYS H 3.650 . 5.500 1.890 1.890 1.890 . 0 0 "[ ]" 1
178 1 43 PRO HA 1 46 LEU H 3.400 . 5.000 3.041 3.041 3.041 . 0 0 "[ ]" 1
179 1 53 LYS H 1 53 LYS QG 3.400 . 5.000 3.742 3.742 3.742 . 0 0 "[ ]" 1
180 1 40 LEU HA 1 40 LEU QD 2.900 . 4.000 1.887 1.887 1.887 . 0 0 "[ ]" 1
181 1 74 LEU HA 1 74 LEU QD 2.900 . 4.000 1.943 1.943 1.943 . 0 0 "[ ]" 1
182 1 40 LEU QD 1 43 PRO QD 3.650 . 5.500 3.395 3.395 3.395 . 0 0 "[ ]" 1
183 1 40 LEU QD 1 43 PRO QB 4.150 . 5.500 3.076 3.076 3.076 . 0 0 "[ ]" 1
184 1 11 ILE HA 1 11 ILE HB 2.650 . 3.500 3.041 3.041 3.041 . 0 0 "[ ]" 1
185 1 11 ILE HA 1 11 ILE MD 2.900 . 4.000 1.949 1.949 1.949 . 0 0 "[ ]" 1
186 1 42 THR H 1 42 THR HB 3.400 . 5.000 2.119 2.119 2.119 . 0 0 "[ ]" 1
187 1 87 LYS H 1 88 ASP H 3.900 . 6.000 4.315 4.315 4.315 . 0 0 "[ ]" 1
188 1 75 ALA H 1 76 THR H 3.900 . 6.000 3.075 3.075 3.075 . 0 0 "[ ]" 1
189 1 49 VAL H 1 49 VAL QG 2.900 . 4.000 2.193 2.193 2.193 . 0 0 "[ ]" 1
190 1 34 ILE HA 1 35 LEU H 3.400 . 5.000 3.581 3.581 3.581 . 0 0 "[ ]" 1
191 1 35 LEU H 1 35 LEU QD 3.650 . 5.500 3.044 3.044 3.044 . 0 0 "[ ]" 1
192 1 52 VAL H 1 52 VAL QG 2.900 . 4.000 2.166 2.166 2.166 . 0 0 "[ ]" 1
193 1 45 LEU H 1 45 LEU QD 3.650 . 5.500 3.676 3.676 3.676 . 0 0 "[ ]" 1
194 1 45 LEU QD 1 48 PHE QD 3.900 . 6.000 3.764 3.764 3.764 . 0 0 "[ ]" 1
195 1 52 VAL QG 1 53 LYS H 2.900 . 4.000 2.453 2.453 2.453 . 0 0 "[ ]" 1
196 1 35 LEU HA 1 35 LEU QD 3.650 . 4.000 1.976 1.976 1.976 . 0 0 "[ ]" 1
197 1 87 LYS HA 1 88 ASP H 2.650 . 3.500 2.820 2.820 2.820 . 0 0 "[ ]" 1
198 1 74 LEU HA 1 75 ALA H 2.650 . 3.500 2.365 2.365 2.365 . 0 0 "[ ]" 1
199 1 69 LEU HA 1 72 LEU QD 2.900 . 4.000 2.198 2.198 2.198 . 0 0 "[ ]" 1
200 1 52 VAL HA 1 52 VAL QG 2.900 . 4.000 2.264 2.264 2.264 . 0 0 "[ ]" 1
201 1 88 ASP H 1 88 ASP QB 3.400 . 5.000 2.296 2.296 2.296 . 0 0 "[ ]" 1
202 1 70 PRO HA 1 70 PRO QG 3.400 . 5.000 3.555 3.555 3.555 . 0 0 "[ ]" 1
203 1 87 LYS QB 1 88 ASP H 3.900 . 6.000 2.188 2.188 2.188 . 0 0 "[ ]" 1
204 1 87 LYS QG 1 88 ASP H 3.400 . 5.000 1.945 1.945 1.945 . 0 0 "[ ]" 1
205 1 74 LEU HG 1 75 ALA H 3.400 . 5.000 4.966 4.966 4.966 . 0 0 "[ ]" 1
206 1 75 ALA H 1 75 ALA MB 2.900 . 4.000 2.196 2.196 2.196 . 0 0 "[ ]" 1
207 1 34 ILE HA 1 34 ILE QG 3.400 . 5.000 2.389 2.389 2.389 . 0 0 "[ ]" 1
208 1 74 LEU QD 1 75 ALA H 3.650 . 5.500 3.826 3.826 3.826 . 0 0 "[ ]" 1
209 1 34 ILE HA 1 34 ILE MG 2.900 . 4.000 2.314 2.314 2.314 . 0 0 "[ ]" 1
210 1 52 VAL QG 1 55 LEU QD 3.900 . 6.000 2.562 2.562 2.562 . 0 0 "[ ]" 1
211 1 64 ILE HA 1 67 ASN H 3.400 . 5.000 3.636 3.636 3.636 . 0 0 "[ ]" 1
212 1 41 ARG HA 1 41 ARG QD 3.400 . 5.000 2.164 2.164 2.164 . 0 0 "[ ]" 1
213 1 111 GLN HA 1 112 GLN H 3.400 . 5.000 2.268 2.268 2.268 . 0 0 "[ ]" 1
214 1 38 ARG HA 1 38 ARG QD 3.400 . 5.000 4.231 4.231 4.231 . 0 0 "[ ]" 1
215 1 22 LEU HA 1 22 LEU QD 2.900 . 4.000 3.064 3.064 3.064 . 0 0 "[ ]" 1
216 1 64 ILE HA 1 67 ASN QB 3.400 . 5.000 2.847 2.847 2.847 . 0 0 "[ ]" 1
217 1 27 LEU QB 1 31 ASP QB 3.400 . 5.000 1.832 1.832 1.832 . 0 0 "[ ]" 1
218 1 81 ARG QB 1 81 ARG QD 2.650 . 3.500 2.225 2.225 2.225 . 0 0 "[ ]" 1
219 1 64 ILE HA 1 64 ILE MG 2.900 . 4.000 2.157 2.157 2.157 . 0 0 "[ ]" 1
220 1 64 ILE HA 1 64 ILE MD 2.900 . 4.000 2.042 2.042 2.042 . 0 0 "[ ]" 1
221 1 24 PRO HA 1 25 ASN H 2.650 . 3.500 3.389 3.389 3.389 . 0 0 "[ ]" 1
222 1 102 LEU H 1 102 LEU QD . . 3.200 2.625 2.625 2.625 . 0 0 "[ ]" 1
223 1 20 PRO HA 1 21 LEU H 2.650 . 3.500 2.216 2.216 2.216 . 0 0 "[ ]" 1
224 1 68 LEU H 1 68 LEU QB 2.650 . 3.500 2.169 2.169 2.169 . 0 0 "[ ]" 1
225 1 101 TYR QD 1 102 LEU QD 3.900 . 6.000 2.007 2.007 2.007 . 0 0 "[ ]" 1
226 1 101 TYR QE 1 102 LEU QD 3.900 . 6.000 1.924 1.924 1.924 . 0 0 "[ ]" 1
227 1 85 HIS HA 1 86 ILE H 2.650 . 3.500 2.213 2.213 2.213 . 0 0 "[ ]" 1
228 1 55 LEU HA 1 55 LEU QD 2.900 . 4.000 2.384 2.384 2.384 . 0 0 "[ ]" 1
229 1 109 GLN HA 1 110 ALA H 2.650 . 3.500 3.508 3.508 3.508 0.008 1 0 "[ ]" 1
230 1 102 LEU HA 1 102 LEU QD 2.900 . 4.000 1.908 1.908 1.908 . 0 0 "[ ]" 1
231 1 85 HIS QB 1 86 ILE H 3.400 . 5.000 3.925 3.925 3.925 . 0 0 "[ ]" 1
232 1 5 ILE HA 1 8 ASP QB 3.400 . 5.000 3.702 3.702 3.702 . 0 0 "[ ]" 1
233 1 109 GLN QB 1 110 ALA H 3.900 . 6.000 2.801 2.801 2.801 . 0 0 "[ ]" 1
234 1 105 LEU H 1 105 LEU QB 3.400 . 5.000 2.269 2.269 2.269 . 0 0 "[ ]" 1
235 1 61 ILE HA 1 64 ILE HB 3.400 . 5.000 3.054 3.054 3.054 . 0 0 "[ ]" 1
236 1 86 ILE H 1 86 ILE HB 3.400 . 5.000 2.827 2.827 2.827 . 0 0 "[ ]" 1
237 1 61 ILE HA 1 61 ILE QG 2.650 . 3.500 2.285 2.285 2.285 . 0 0 "[ ]" 1
238 1 86 ILE H 1 86 ILE QG 3.900 . 5.000 1.897 1.897 1.897 . 0 0 "[ ]" 1
239 1 86 ILE H 1 86 ILE MG 3.650 . 5.500 3.802 3.802 3.802 . 0 0 "[ ]" 1
240 1 105 LEU H 1 105 LEU QD 3.650 . 5.500 3.598 3.598 3.598 . 0 0 "[ ]" 1
241 1 5 ILE HA 1 5 ILE MG 2.900 . 4.000 2.222 2.222 2.222 . 0 0 "[ ]" 1
242 1 61 ILE HA 1 61 ILE MG 2.900 . 4.000 2.480 2.480 2.480 . 0 0 "[ ]" 1
243 1 104 THR HA 1 104 THR MG 2.900 . 4.000 3.222 3.222 3.222 . 0 0 "[ ]" 1
244 1 86 ILE H 1 86 ILE MD 4.150 . 6.500 2.719 2.719 2.719 . 0 0 "[ ]" 1
245 1 41 ARG H 1 42 THR H 3.400 . 5.000 2.631 2.631 2.631 . 0 0 "[ ]" 1
246 1 80 THR H 1 80 THR MG 3.650 . 5.500 3.617 3.617 3.617 . 0 0 "[ ]" 1
247 1 44 ASN H 1 45 LEU H 3.400 . 5.000 2.388 2.388 2.388 . 0 0 "[ ]" 1
248 1 76 THR H 1 76 THR MG 3.650 . 5.500 1.949 1.949 1.949 . 0 0 "[ ]" 1
249 1 29 SER H 1 30 GLU H 3.400 . 5.000 2.642 2.642 2.642 . 0 0 "[ ]" 1
250 1 47 ALA H 1 49 VAL H 3.400 . 5.000 4.166 4.166 4.166 . 0 0 "[ ]" 1
251 1 77 ALA H 1 78 ALA H 3.900 . 6.000 3.653 3.653 3.653 . 0 0 "[ ]" 1
252 1 46 LEU H 1 46 LEU QD 3.650 . 4.000 2.787 2.787 2.787 . 0 0 "[ ]" 1
253 1 49 VAL QG 1 50 ARG H 3.650 . 5.500 3.388 3.388 3.388 . 0 0 "[ ]" 1
254 1 93 GLU H 1 94 PHE H 3.400 . 5.000 2.821 2.821 2.821 . 0 0 "[ ]" 1
255 1 105 LEU H 1 108 ALA H 3.400 . 5.000 4.849 4.849 4.849 . 0 0 "[ ]" 1
256 1 22 LEU H 1 22 LEU QB 2.650 . 3.500 2.578 2.578 2.578 . 0 0 "[ ]" 1
257 1 105 LEU QB 1 106 GLU H 3.900 . 5.000 2.079 2.079 2.079 . 0 0 "[ ]" 1
258 1 15 LYS H 1 16 ARG H 2.650 . 3.500 2.987 2.987 2.987 . 0 0 "[ ]" 1
259 1 90 ASP H 1 90 ASP QB 2.650 . 3.500 2.299 2.299 2.299 . 0 0 "[ ]" 1
260 1 104 THR H 1 104 THR MG 3.650 . 5.500 2.454 2.454 2.454 . 0 0 "[ ]" 1
261 1 104 THR MG 1 105 LEU H 3.650 . 5.500 2.137 2.137 2.137 . 0 0 "[ ]" 1
262 1 39 ASN HA 1 41 ARG H 3.400 . 5.000 3.645 3.645 3.645 . 0 0 "[ ]" 1
263 1 55 LEU HA 1 56 GLU H 2.650 . 3.500 2.275 2.275 2.275 . 0 0 "[ ]" 1
264 1 73 PRO HA 1 74 LEU H 2.650 . 3.500 2.393 2.393 2.393 . 0 0 "[ ]" 1
265 1 85 HIS H 1 85 HIS HA 2.650 . 3.500 2.940 2.940 2.940 . 0 0 "[ ]" 1
266 1 107 ASN HA 1 108 ALA H 2.650 . 3.500 3.555 3.555 3.555 0.055 1 0 "[ ]" 1
267 1 78 ALA H 1 78 ALA HA 2.650 . 3.500 2.841 2.841 2.841 . 0 0 "[ ]" 1
268 1 44 ASN HA 1 47 ALA H 3.400 . 5.000 3.173 3.173 3.173 . 0 0 "[ ]" 1
269 1 75 ALA HA 1 77 ALA H 3.400 . 5.000 4.367 4.367 4.367 . 0 0 "[ ]" 1
270 1 15 LYS HA 1 16 ARG H 3.400 . 5.000 2.509 2.509 2.509 . 0 0 "[ ]" 1
271 1 37 GLU H 1 41 ARG HA 3.900 . 6.000 5.649 5.649 5.649 . 0 0 "[ ]" 1
272 1 59 SER QB 1 60 ALA H 3.400 . 5.000 3.008 3.008 3.008 . 0 0 "[ ]" 1
273 1 38 ARG HA 1 41 ARG H 3.400 . 5.000 3.903 3.903 3.903 . 0 0 "[ ]" 1
274 1 43 PRO HA 1 47 ALA H 3.400 . 5.000 4.631 4.631 4.631 . 0 0 "[ ]" 1
275 1 42 THR HA 1 45 LEU H 3.400 . 5.000 3.079 3.079 3.079 . 0 0 "[ ]" 1
276 1 4 SER QB 1 5 ILE H 3.400 . 5.000 3.413 3.413 3.413 . 0 0 "[ ]" 1
277 1 36 MET HA 1 37 GLU H 3.400 . 5.000 3.549 3.549 3.549 . 0 0 "[ ]" 1
278 1 46 LEU HA 1 46 LEU QD 2.900 . 3.200 2.011 2.011 2.011 . 0 0 "[ ]" 1
279 1 105 LEU HA 1 108 ALA H 3.400 . 5.000 3.786 3.786 3.786 . 0 0 "[ ]" 1
280 1 84 ILE HA 1 85 HIS H 2.650 . 3.500 2.610 2.610 2.610 . 0 0 "[ ]" 1
281 1 78 ALA H 1 79 PRO QD 3.400 . 5.000 4.076 4.076 4.076 . 0 0 "[ ]" 1
282 1 41 ARG H 1 41 ARG QD 3.900 . 6.000 4.320 4.320 4.320 . 0 0 "[ ]" 1
283 1 92 ASN QB 1 93 GLU H 3.900 . 5.000 2.538 2.538 2.538 . 0 0 "[ ]" 1
284 1 107 ASN QB 1 108 ALA H 3.400 . 5.000 2.536 2.536 2.536 . 0 0 "[ ]" 1
285 1 93 GLU H 1 93 GLU QG 3.400 . 5.000 4.058 4.058 4.058 . 0 0 "[ ]" 1
286 1 41 ARG H 1 41 ARG QB 3.400 . 5.000 2.287 2.287 2.287 . 0 0 "[ ]" 1
287 1 73 PRO QB 1 74 LEU H 3.400 . 5.000 2.745 2.745 2.745 . 0 0 "[ ]" 1
288 1 30 GLU H 1 30 GLU QG 3.400 . 5.000 3.990 3.990 3.990 . 0 0 "[ ]" 1
289 1 44 ASN QB 1 47 ALA H 3.400 . 5.000 4.539 4.539 4.539 . 0 0 "[ ]" 1
290 1 42 THR MG 1 43 PRO QG 3.650 . 5.500 3.589 3.589 3.589 . 0 0 "[ ]" 1
291 1 74 LEU H 1 74 LEU HG 2.650 . 3.500 3.255 3.255 3.255 . 0 0 "[ ]" 1
292 1 74 LEU H 1 74 LEU QB 2.650 . 3.500 2.586 2.586 2.586 . 0 0 "[ ]" 1
293 1 46 LEU QB 1 47 ALA H 3.400 . 5.000 2.662 2.662 2.662 . 0 0 "[ ]" 1
294 1 75 ALA MB 1 77 ALA H 3.650 . 5.500 4.237 4.237 4.237 . 0 0 "[ ]" 1
295 1 5 ILE H 1 5 ILE HB 3.400 . 5.000 2.583 2.583 2.583 . 0 0 "[ ]" 1
296 1 45 LEU H 1 45 LEU HG 3.400 . 5.000 4.098 4.098 4.098 . 0 0 "[ ]" 1
297 1 48 PHE HA 1 51 ALA MB 3.650 . 5.500 3.032 3.032 3.032 . 0 0 "[ ]" 1
298 1 87 LYS QB 1 90 ASP QB 3.900 . 6.000 3.310 3.310 3.310 . 0 0 "[ ]" 1
299 1 84 ILE HB 1 85 HIS H 2.650 . 3.500 3.651 3.651 3.651 0.151 1 0 "[ ]" 1
300 1 108 ALA H 1 108 ALA MB 2.900 . 4.000 2.202 2.202 2.202 . 0 0 "[ ]" 1
301 1 76 THR MG 1 78 ALA H 2.900 . 4.000 3.034 3.034 3.034 . 0 0 "[ ]" 1
302 1 47 ALA H 1 47 ALA MB 2.900 . 4.000 2.144 2.144 2.144 . 0 0 "[ ]" 1
303 1 77 ALA H 1 77 ALA MB 2.900 . 4.000 2.397 2.397 2.397 . 0 0 "[ ]" 1
304 1 76 THR MG 1 77 ALA H 3.650 . 5.500 3.687 3.687 3.687 . 0 0 "[ ]" 1
305 1 42 THR MG 1 45 LEU H 3.400 . 5.000 4.266 4.266 4.266 . 0 0 "[ ]" 1
306 1 84 ILE MD 1 85 HIS H 2.900 . 4.000 3.126 3.126 3.126 . 0 0 "[ ]" 1
307 1 40 LEU QD 1 41 ARG H 3.650 . 5.500 3.883 3.883 3.883 . 0 0 "[ ]" 1
308 1 46 LEU QD 1 47 ALA H 3.650 . 5.500 4.024 4.024 4.024 . 0 0 "[ ]" 1
309 1 5 ILE H 1 5 ILE MG 3.650 . 5.500 3.784 3.784 3.784 . 0 0 "[ ]" 1
310 1 79 PRO HA 1 80 THR H 3.400 . 5.000 2.634 2.634 2.634 . 0 0 "[ ]" 1
311 1 3 CYS H 1 3 CYS QB 3.400 . 5.000 2.055 2.055 2.055 . 0 0 "[ ]" 1
312 1 100 PHE H 1 101 TYR H 3.400 . 5.000 2.647 2.647 2.647 . 0 0 "[ ]" 1
313 1 29 SER H 1 29 SER QB 2.650 . 3.500 2.757 2.757 2.757 . 0 0 "[ ]" 1
314 1 4 SER H 1 4 SER QB 2.650 . 3.500 2.692 2.692 2.692 . 0 0 "[ ]" 1
315 1 3 CYS QB 1 4 SER H 3.400 . 5.000 2.831 2.831 2.831 . 0 0 "[ ]" 1
316 1 97 LYS H 1 98 LEU H 2.650 . 3.500 2.899 2.899 2.899 . 0 0 "[ ]" 1
317 1 96 ARG H 1 97 LYS H 2.250 . 2.700 2.697 2.697 2.697 . 0 0 "[ ]" 1
318 1 22 LEU H 1 23 ASP H 2.250 . 2.700 2.702 2.702 2.702 0.002 1 0 "[ ]" 1
319 1 99 THR H 1 100 PHE H 3.400 . 5.000 2.924 2.924 2.924 . 0 0 "[ ]" 1
320 1 63 SER H 1 63 SER QB 2.650 . 3.500 2.143 2.143 2.143 . 0 0 "[ ]" 1
321 1 94 PHE HA 1 97 LYS H 2.650 . 3.500 3.642 3.642 3.642 0.142 1 0 "[ ]" 1
322 1 77 ALA MB 1 78 ALA H 2.900 . 4.000 3.659 3.659 3.659 . 0 0 "[ ]" 1
323 1 63 SER QB 1 64 ILE H 3.400 . 3.500 2.671 2.671 2.671 . 0 0 "[ ]" 1
324 1 94 PHE HA 1 94 PHE QD 3.650 . 5.500 3.159 3.159 3.159 . 0 0 "[ ]" 1
325 1 2 ASN HA 1 3 CYS H 2.650 . 3.500 2.673 2.673 2.673 . 0 0 "[ ]" 1
326 1 18 PRO HA 1 19 ASN H 2.650 . 3.500 3.559 3.559 3.559 0.059 1 0 "[ ]" 1
327 1 27 LEU HA 1 28 ASN H 2.650 . 3.500 2.429 2.429 2.429 . 0 0 "[ ]" 1
328 1 27 LEU H 1 27 LEU HA 2.650 . 3.500 2.993 2.993 2.993 . 0 0 "[ ]" 1
329 1 22 LEU H 1 22 LEU HA 2.650 . 3.500 2.989 2.989 2.989 . 0 0 "[ ]" 1
330 1 83 PRO HA 1 84 ILE H 2.650 . 3.500 2.705 2.705 2.705 . 0 0 "[ ]" 1
331 1 44 ASN HA 1 45 LEU H 3.400 . 5.000 3.534 3.534 3.534 . 0 0 "[ ]" 1
332 1 26 ASN HA 1 27 LEU H 2.650 . 3.500 2.407 2.407 2.407 . 0 0 "[ ]" 1
333 1 81 ARG H 1 81 ARG HA 2.650 . 3.500 2.986 2.986 2.986 . 0 0 "[ ]" 1
334 1 80 THR HB 1 81 ARG H 3.400 . 5.000 3.112 3.112 3.112 . 0 0 "[ ]" 1
335 1 29 SER HA 1 29 SER QB 2.650 . 3.500 2.251 2.251 2.251 . 0 0 "[ ]" 1
336 1 73 PRO HA 1 74 LEU QB 3.400 . 5.000 4.269 4.269 4.269 . 0 0 "[ ]" 1
337 1 96 ARG H 1 96 ARG HA 2.650 . 3.500 2.885 2.885 2.885 . 0 0 "[ ]" 1
338 1 46 LEU HA 1 49 VAL H 3.400 . 5.000 3.599 3.599 3.599 . 0 0 "[ ]" 1
339 1 21 LEU H 1 21 LEU HA 2.650 . 3.500 2.994 2.994 2.994 . 0 0 "[ ]" 1
340 1 21 LEU HA 1 22 LEU H 2.650 . 3.500 2.688 2.688 2.688 . 0 0 "[ ]" 1
341 1 99 THR HB 1 100 PHE H 3.400 . 5.000 2.168 2.168 2.168 . 0 0 "[ ]" 1
342 1 74 LEU HA 1 74 LEU QB 2.650 . 3.500 2.428 2.428 2.428 . 0 0 "[ ]" 1
343 1 62 GLU H 1 62 GLU HA 2.650 . 3.500 2.835 2.835 2.835 . 0 0 "[ ]" 1
344 1 84 ILE H 1 84 ILE HA 2.650 . 3.500 2.821 2.821 2.821 . 0 0 "[ ]" 1
345 1 105 LEU HA 1 105 LEU QB 2.650 . 3.500 2.341 2.341 2.341 . 0 0 "[ ]" 1
346 1 28 ASN H 1 28 ASN QB 3.400 . 5.000 2.349 2.349 2.349 . 0 0 "[ ]" 1
347 1 48 PHE QB 1 49 VAL H 3.400 . 5.000 2.862 2.862 2.862 . 0 0 "[ ]" 1
348 1 44 ASN QB 1 45 LEU H 3.400 . 5.000 2.662 2.662 2.662 . 0 0 "[ ]" 1
349 1 100 PHE H 1 100 PHE QB 3.400 . 5.000 2.199 2.199 2.199 . 0 0 "[ ]" 1
350 1 23 ASP H 1 23 ASP QB 2.650 . 3.500 2.174 2.174 2.174 . 0 0 "[ ]" 1
351 1 26 ASN QB 1 27 LEU H 3.400 . 5.000 3.098 3.098 3.098 . 0 0 "[ ]" 1
352 1 97 LYS QB 1 98 LEU H 3.400 . 5.000 2.110 2.110 2.110 . 0 0 "[ ]" 1
353 1 96 ARG H 1 96 ARG QB 2.650 . 3.500 2.349 2.349 2.349 . 0 0 "[ ]" 1
354 1 49 VAL H 1 49 VAL HB 3.400 . 5.000 2.527 2.527 2.527 . 0 0 "[ ]" 1
355 1 62 GLU H 1 62 GLU QB 2.650 . 3.500 2.228 2.228 2.228 . 0 0 "[ ]" 1
356 1 61 ILE HB 1 62 GLU H 2.650 . 3.500 2.747 2.747 2.747 . 0 0 "[ ]" 1
357 1 96 ARG H 1 96 ARG QG 2.650 . 3.500 2.523 2.523 2.523 . 0 0 "[ ]" 1
358 1 21 LEU H 1 21 LEU QB 2.650 . 3.500 2.422 2.422 2.422 . 0 0 "[ ]" 1
359 1 100 PHE HA 1 103 LYS QB 3.400 . 5.000 2.950 2.950 2.950 . 0 0 "[ ]" 1
360 1 66 LYS QB 1 66 LYS QE 2.650 . 3.500 2.122 2.122 2.122 . 0 0 "[ ]" 1
361 1 27 LEU QB 1 28 ASN H 3.900 . 6.000 2.424 2.424 2.424 . 0 0 "[ ]" 1
362 1 27 LEU H 1 27 LEU QB 2.650 . 3.500 2.945 2.945 2.945 . 0 0 "[ ]" 1
363 1 58 ALA H 1 58 ALA MB 2.900 . 4.000 2.576 2.576 2.576 . 0 0 "[ ]" 1
364 1 61 ILE MG 1 62 GLU H 2.900 . 4.000 3.273 3.273 3.273 . 0 0 "[ ]" 1
365 1 4 SER QB 1 7 ILE MD 2.900 . 4.000 3.061 3.061 3.061 . 0 0 "[ ]" 1
366 1 27 LEU H 1 27 LEU QD 3.650 . 5.500 1.930 1.930 1.930 . 0 0 "[ ]" 1
367 1 98 LEU H 1 98 LEU QB 3.400 . 5.000 2.207 2.207 2.207 . 0 0 "[ ]" 1
368 1 84 ILE H 1 84 ILE MG 3.650 . 5.500 2.948 2.948 2.948 . 0 0 "[ ]" 1
369 1 89 GLY H 1 90 ASP H 3.400 . 5.000 1.976 1.976 1.976 . 0 0 "[ ]" 1
370 1 57 ASN H 1 58 ALA H 3.400 . 5.000 2.648 2.648 2.648 . 0 0 "[ ]" 1
371 1 102 LEU H 1 102 LEU QB 3.400 . 5.000 2.647 2.647 2.647 . 0 0 "[ ]" 1
372 1 98 LEU QD 1 102 LEU H 4.150 . 6.500 3.231 3.231 3.231 . 0 0 "[ ]" 1
373 1 64 ILE H 1 65 LEU H 2.650 . 3.500 2.956 2.956 2.956 . 0 0 "[ ]" 1
374 1 63 SER H 1 64 ILE H 2.650 . 3.500 2.563 2.563 2.563 . 0 0 "[ ]" 1
375 1 59 SER H 1 59 SER QB 2.650 . 3.500 2.837 2.837 2.837 . 0 0 "[ ]" 1
376 1 71 CYS H 1 71 CYS QB . . 3.500 2.183 2.183 2.183 . 0 0 "[ ]" 1
377 1 58 ALA MB 1 59 SER H 3.650 . 5.500 3.535 3.535 3.535 . 0 0 "[ ]" 1
378 1 51 ALA H 1 52 VAL H 2.650 . 3.500 2.707 2.707 2.707 . 0 0 "[ ]" 1
379 1 103 LYS H 1 104 THR H 3.400 . 5.000 2.897 2.897 2.897 . 0 0 "[ ]" 1
380 1 48 PHE H 1 48 PHE QD 3.650 . 5.500 3.369 3.369 3.369 . 0 0 "[ ]" 1
381 1 98 LEU QD 1 101 TYR QD 3.900 . 6.000 1.949 1.949 1.949 . 0 0 "[ ]" 1
382 1 98 LEU QD 1 101 TYR QE 3.900 . 6.000 3.086 3.086 3.086 . 0 0 "[ ]" 1
383 1 54 HIS HA 1 55 LEU H 3.400 . 5.000 3.318 3.318 3.318 . 0 0 "[ ]" 1
384 1 67 ASN HA 1 69 LEU H 3.400 . 5.000 3.928 3.928 3.928 . 0 0 "[ ]" 1
385 1 2 ASN H 1 2 ASN HA 2.650 . 3.500 2.954 2.954 2.954 . 0 0 "[ ]" 1
386 1 57 ASN HA 1 58 ALA H 3.400 . 5.000 3.131 3.131 3.131 . 0 0 "[ ]" 1
387 1 9 GLU HA 1 10 ILE H 2.650 . 3.500 3.566 3.566 3.566 0.066 1 0 "[ ]" 1
388 1 3 CYS HA 1 6 MET H 3.400 . 5.000 3.394 3.394 3.394 . 0 0 "[ ]" 1
389 1 69 LEU HA 1 72 LEU H 3.900 . 6.000 4.556 4.556 4.556 . 0 0 "[ ]" 1
390 1 51 ALA H 1 51 ALA HA 2.650 . 3.500 2.857 2.857 2.857 . 0 0 "[ ]" 1
391 1 68 LEU HA 1 69 LEU H 3.400 . 5.000 3.444 3.444 3.444 . 0 0 "[ ]" 1
392 1 89 GLY HA3 1 90 ASP H 3.400 . 5.000 3.567 3.567 3.567 . 0 0 "[ ]" 1
393 1 69 LEU H 1 69 LEU HA 2.650 . 3.500 2.804 2.804 2.804 . 0 0 "[ ]" 1
394 1 10 ILE H 1 10 ILE HA 2.650 . 3.500 2.883 2.883 2.883 . 0 0 "[ ]" 1
395 1 5 ILE HA 1 6 MET H 3.900 . 6.000 3.523 3.523 3.523 . 0 0 "[ ]" 1
396 1 89 GLY HA2 1 90 ASP H 3.400 . 5.000 2.867 2.867 2.867 . 0 0 "[ ]" 1
397 1 52 VAL H 1 52 VAL HA 2.650 . 3.500 2.847 2.847 2.847 . 0 0 "[ ]" 1
398 1 48 PHE H 1 48 PHE QB 2.650 . 3.500 2.288 2.288 2.288 . 0 0 "[ ]" 1
399 1 71 CYS QB 1 72 LEU H 3.400 . 5.000 3.624 3.624 3.624 . 0 0 "[ ]" 1
400 1 101 TYR HA 1 101 TYR QB 2.650 . 3.500 2.328 2.328 2.328 . 0 0 "[ ]" 1
401 1 98 LEU HA 1 98 LEU QD 2.900 . 4.000 1.899 1.899 1.899 . 0 0 "[ ]" 1
402 1 100 PHE QB 1 101 TYR H 3.400 . 5.000 2.791 2.791 2.791 . 0 0 "[ ]" 1
403 1 31 ASP H 1 31 ASP QB 3.400 . 5.000 2.287 2.287 2.287 . 0 0 "[ ]" 1
404 1 6 MET H 1 6 MET QG 3.400 . 5.000 2.710 2.710 2.710 . 0 0 "[ ]" 1
405 1 10 ILE H 1 10 ILE QG 2.650 . 3.500 1.937 1.937 1.937 . 0 0 "[ ]" 1
406 1 11 ILE H 1 11 ILE HB 2.650 . 3.500 2.510 2.510 2.510 . 0 0 "[ ]" 1
407 1 6 MET H 1 6 MET QB 3.400 . 3.500 2.203 2.203 2.203 . 0 0 "[ ]" 1
408 1 6 MET H 1 6 MET ME 3.650 . 5.500 3.643 3.643 3.643 . 0 0 "[ ]" 1
409 1 58 ALA MB 1 61 ILE HB 4.150 . 6.500 2.438 2.438 2.438 . 0 0 "[ ]" 1
410 1 98 LEU QD 1 102 LEU HG 2.500 . 3.200 2.671 2.671 2.671 . 0 0 "[ ]" 1
411 1 103 LYS H 1 103 LYS QB 2.650 . 3.500 2.153 2.153 2.153 . 0 0 "[ ]" 1
412 1 72 LEU H 1 72 LEU QB 2.650 . 3.500 2.634 2.634 2.634 . 0 0 "[ ]" 1
413 1 51 ALA H 1 51 ALA MB 2.900 . 4.000 2.213 2.213 2.213 . 0 0 "[ ]" 1
414 1 87 LYS QG 1 90 ASP H 3.400 . 5.000 4.564 4.564 4.564 . 0 0 "[ ]" 1
415 1 69 LEU H 1 69 LEU QB 2.650 . 3.500 2.271 2.271 2.271 . 0 0 "[ ]" 1
416 1 87 LYS QB 1 90 ASP H 2.650 . 3.500 2.857 2.857 2.857 . 0 0 "[ ]" 1
417 1 64 ILE H 1 64 ILE HB 2.650 . 3.500 2.654 2.654 2.654 . 0 0 "[ ]" 1
418 1 103 LYS H 1 103 LYS QG 3.400 . 5.000 4.013 4.013 4.013 . 0 0 "[ ]" 1
419 1 84 ILE H 1 84 ILE HB 3.400 . 5.000 2.077 2.077 2.077 . 0 0 "[ ]" 1
420 1 110 ALA MB 1 111 GLN H 2.900 . 4.000 2.083 2.083 2.083 . 0 0 "[ ]" 1
421 1 47 ALA MB 1 48 PHE H 3.650 . 5.500 3.151 3.151 3.151 . 0 0 "[ ]" 1
422 1 80 THR MG 1 81 ARG H 3.650 . 5.500 4.102 4.102 4.102 . 0 0 "[ ]" 1
423 1 99 THR MG 1 100 PHE H 3.650 . 5.500 2.826 2.826 2.826 . 0 0 "[ ]" 1
424 1 55 LEU H 1 55 LEU QB 2.650 . 3.500 2.275 2.275 2.275 . 0 0 "[ ]" 1
425 1 102 LEU QD 1 103 LYS H 3.650 . 5.500 4.104 4.104 4.104 . 0 0 "[ ]" 1
426 1 84 ILE H 1 84 ILE MD 2.900 . 4.000 3.094 3.094 3.094 . 0 0 "[ ]" 1
427 1 11 ILE H 1 11 ILE MD 2.900 . 4.000 3.272 3.272 3.272 . 0 0 "[ ]" 1
428 1 5 ILE MD 1 6 MET H 3.650 . 5.500 4.531 4.531 4.531 . 0 0 "[ ]" 1
429 1 64 ILE H 1 64 ILE MD 3.650 . 5.500 3.022 3.022 3.022 . 0 0 "[ ]" 1
430 1 39 ASN H 1 40 LEU H 3.400 . 5.000 2.586 2.586 2.586 . 0 0 "[ ]" 1
431 1 94 PHE H 1 95 ARG H 3.400 . 5.000 2.661 2.661 2.661 . 0 0 "[ ]" 1
432 1 75 ALA MB 1 76 THR H 3.650 . 5.500 2.317 2.317 2.317 . 0 0 "[ ]" 1
433 1 101 TYR H 1 102 LEU H 3.400 . 5.000 3.263 3.263 3.263 . 0 0 "[ ]" 1
434 1 92 ASN H 1 93 GLU H 2.250 . 2.700 2.567 2.567 2.567 . 0 0 "[ ]" 1
435 1 25 ASN H 1 26 ASN H 3.400 . 5.000 4.222 4.222 4.222 . 0 0 "[ ]" 1
436 1 8 ASP H 1 8 ASP QB 3.400 . 5.000 2.174 2.174 2.174 . 0 0 "[ ]" 1
437 1 46 LEU H 1 46 LEU QB 3.400 . 5.000 2.073 2.073 2.073 . 0 0 "[ ]" 1
438 1 50 ARG H 1 51 ALA H 2.250 . 2.700 2.606 2.606 2.606 . 0 0 "[ ]" 1
439 1 107 ASN H 1 109 GLN H 2.650 . 3.500 3.563 3.563 3.563 0.063 1 0 "[ ]" 1
440 1 108 ALA H 1 109 GLN H 2.250 . 2.700 2.472 2.472 2.472 . 0 0 "[ ]" 1
441 1 76 THR HA 1 77 ALA H 3.400 . 5.000 2.773 2.773 2.773 . 0 0 "[ ]" 1
442 1 45 LEU H 1 45 LEU QB 3.400 . 5.000 2.168 2.168 2.168 . 0 0 "[ ]" 1
443 1 53 LYS H 1 54 HIS H 2.650 . 3.500 2.555 2.555 2.555 . 0 0 "[ ]" 1
444 1 101 TYR QD 1 102 LEU H 4.150 . 6.500 2.045 2.045 2.045 . 0 0 "[ ]" 1
445 1 90 ASP HA 1 92 ASN H 3.900 . 6.000 3.766 3.766 3.766 . 0 0 "[ ]" 1
446 1 39 ASN HA 1 40 LEU H 3.400 . 5.000 3.536 3.536 3.536 . 0 0 "[ ]" 1
447 1 25 ASN H 1 25 ASN HA 2.650 . 3.500 2.815 2.815 2.815 . 0 0 "[ ]" 1
448 1 26 ASN H 1 26 ASN HA 2.650 . 3.500 2.861 2.861 2.861 . 0 0 "[ ]" 1
449 1 81 ARG HA 1 82 HIS H 2.650 . 3.500 2.517 2.517 2.517 . 0 0 "[ ]" 1
450 1 35 LEU H 1 35 LEU HA 2.650 . 3.500 2.791 2.791 2.791 . 0 0 "[ ]" 1
451 1 56 GLU HA 1 57 ASN H 2.650 . 3.500 2.196 2.196 2.196 . 0 0 "[ ]" 1
452 1 33 ASP H 1 33 ASP HA 2.650 . 3.500 2.842 2.842 2.842 . 0 0 "[ ]" 1
453 1 97 LYS H 1 97 LYS HA 2.650 . 3.500 2.857 2.857 2.857 . 0 0 "[ ]" 1
454 1 109 GLN H 1 109 GLN HA 2.650 . 3.500 2.908 2.908 2.908 . 0 0 "[ ]" 1
455 1 106 GLU H 1 106 GLU HA 2.650 . 3.500 2.823 2.823 2.823 . 0 0 "[ ]" 1
456 1 45 LEU HA 1 45 LEU QB 2.650 . 3.500 2.492 2.492 2.492 . 0 0 "[ ]" 1
457 1 62 GLU HA 1 65 LEU H 3.400 . 5.000 3.899 3.899 3.899 . 0 0 "[ ]" 1
458 1 32 MET HA 1 33 ASP H 3.400 . 5.000 3.571 3.571 3.571 . 0 0 "[ ]" 1
459 1 94 PHE QB 1 95 ARG H 3.400 . 5.000 3.152 3.152 3.152 . 0 0 "[ ]" 1
460 1 99 THR HA 1 102 LEU H 3.900 . 6.000 4.567 4.567 4.567 . 0 0 "[ ]" 1
461 1 101 TYR QB 1 102 LEU H 3.400 . 5.000 1.961 1.961 1.961 . 0 0 "[ ]" 1
462 1 91 TRP QB 1 92 ASN H 3.400 . 5.000 3.173 3.173 3.173 . 0 0 "[ ]" 1
463 1 94 PHE H 1 94 PHE QB 2.650 . 3.500 2.619 2.619 2.619 . 0 0 "[ ]" 1
464 1 92 ASN H 1 92 ASN QB 3.400 . 5.000 2.282 2.282 2.282 . 0 0 "[ ]" 1
465 1 25 ASN H 1 25 ASN QB 2.650 . 3.500 2.599 2.599 2.599 . 0 0 "[ ]" 1
466 1 33 ASP H 1 33 ASP QB 2.650 . 3.500 2.290 2.290 2.290 . 0 0 "[ ]" 1
467 1 19 ASN H 1 19 ASN QB 2.650 . 3.500 2.783 2.783 2.783 . 0 0 "[ ]" 1
468 1 67 ASN H 1 67 ASN QB 2.650 . 3.500 2.162 2.162 2.162 . 0 0 "[ ]" 1
469 1 41 ARG QB 1 42 THR H 3.900 . 6.000 2.294 2.294 2.294 . 0 0 "[ ]" 1
470 1 26 ASN H 1 26 ASN QB 2.650 . 3.500 2.971 2.971 2.971 . 0 0 "[ ]" 1
471 1 109 GLN H 1 109 GLN QG 3.400 . 5.000 3.967 3.967 3.967 . 0 0 "[ ]" 1
472 1 106 GLU H 1 106 GLU QG 3.400 . 5.000 3.899 3.899 3.899 . 0 0 "[ ]" 1
473 1 42 THR H 1 43 PRO QG 3.900 . 6.000 4.120 4.120 4.120 . 0 0 "[ ]" 1
474 1 56 GLU QB 1 57 ASN H 3.400 . 5.000 3.544 3.544 3.544 . 0 0 "[ ]" 1
475 1 49 VAL HB 1 50 ARG H 2.650 . 3.500 2.873 2.873 2.873 . 0 0 "[ ]" 1
476 1 32 MET QB 1 33 ASP H 2.650 . 3.500 2.560 2.560 2.560 . 0 0 "[ ]" 1
477 1 109 GLN H 1 109 GLN QB 2.250 . 2.700 2.276 2.276 2.276 . 0 0 "[ ]" 1
478 1 93 GLU QB 1 94 PHE H 2.650 . 3.500 2.269 2.269 2.269 . 0 0 "[ ]" 1
479 1 40 LEU H 1 40 LEU QB 3.400 . 5.000 2.309 2.309 2.309 . 0 0 "[ ]" 1
480 1 72 LEU QB 1 72 LEU HG 2.650 . 3.500 2.378 2.378 2.378 . 0 0 "[ ]" 1
481 1 95 ARG H 1 95 ARG QB 2.650 . 3.500 2.096 2.096 2.096 . 0 0 "[ ]" 1
482 1 65 LEU H 1 65 LEU HG 2.650 . 3.500 1.886 1.886 1.886 . 0 0 "[ ]" 1
483 1 64 ILE HB 1 65 LEU H 3.400 . 5.000 2.082 2.082 2.082 . 0 0 "[ ]" 1
484 1 81 ARG QB 1 82 HIS H 2.650 . 3.500 2.307 2.307 2.307 . 0 0 "[ ]" 1
485 1 66 LYS QB 1 67 ASN H 2.650 . 3.500 3.440 3.440 3.440 . 0 0 "[ ]" 1
486 1 66 LYS QG 1 67 ASN H 2.650 . 3.500 2.114 2.114 2.114 . 0 0 "[ ]" 1
487 1 15 LYS H 1 15 LYS QB 3.400 . 5.000 2.834 2.834 2.834 . 0 0 "[ ]" 1
488 1 53 LYS H 1 53 LYS QB 2.250 . 2.700 2.104 2.104 2.104 . 0 0 "[ ]" 1
489 1 42 THR H 1 42 THR MG 4.150 . 6.500 3.472 3.472 3.472 . 0 0 "[ ]" 1
490 1 95 ARG H 1 95 ARG QG 2.650 . 3.500 3.270 3.270 3.270 . 0 0 "[ ]" 1
491 1 65 LEU H 1 65 LEU QB 3.400 . 5.000 2.621 2.621 2.621 . 0 0 "[ ]" 1
492 1 108 ALA MB 1 109 GLN H 2.900 . 4.000 3.295 3.295 3.295 . 0 0 "[ ]" 1
493 1 40 LEU H 1 40 LEU HG 3.400 . 5.000 4.060 4.060 4.060 . 0 0 "[ ]" 1
494 1 105 LEU QD 1 106 GLU H 3.650 . 5.500 2.046 2.046 2.046 . 0 0 "[ ]" 1
495 1 64 ILE MG 1 67 ASN H 3.650 . 5.500 4.632 4.632 4.632 . 0 0 "[ ]" 1
496 1 12 HIS H 1 13 HIS H 2.650 . 3.500 2.658 2.658 2.658 . 0 0 "[ ]" 1
497 1 58 ALA H 1 59 SER H 2.250 . 2.700 2.274 2.274 2.274 . 0 0 "[ ]" 1
498 1 31 ASP H 1 32 MET H 2.650 . 3.500 2.680 2.680 2.680 . 0 0 "[ ]" 1
499 1 32 MET H 1 33 ASP H 2.250 . 2.700 2.732 2.732 2.732 0.032 1 0 "[ ]" 1
500 1 51 ALA MB 1 52 VAL H 3.650 . 5.500 2.639 2.639 2.639 . 0 0 "[ ]" 1
501 1 10 ILE MG 1 11 ILE H 3.650 . 5.500 3.937 3.937 3.937 . 0 0 "[ ]" 1
502 1 10 ILE H 1 10 ILE MG 3.650 . 5.500 3.811 3.811 3.811 . 0 0 "[ ]" 1
503 1 39 ASN H 1 39 ASN QD 3.900 . 6.000 4.389 4.389 4.389 . 0 0 "[ ]" 1
504 1 91 TRP HA 1 91 TRP HE3 2.650 . 3.500 2.069 2.069 2.069 . 0 0 "[ ]" 1
505 1 39 ASN H 1 40 LEU HA 3.900 . 6.000 5.256 5.256 5.256 . 0 0 "[ ]" 1
506 1 38 ARG HA 1 39 ASN H 3.900 . 6.000 3.562 3.562 3.562 . 0 0 "[ ]" 1
507 1 46 LEU H 1 46 LEU HA 2.650 . 3.500 2.885 2.885 2.885 . 0 0 "[ ]" 1
508 1 31 ASP HA 1 32 MET H 3.900 . 6.000 3.523 3.523 3.523 . 0 0 "[ ]" 1
509 1 30 GLU HA 1 33 ASP QB 3.400 . 5.000 3.105 3.105 3.105 . 0 0 "[ ]" 1
510 1 105 LEU HA 1 108 ALA MB 3.650 . 5.500 3.640 3.640 3.640 . 0 0 "[ ]" 1
511 1 86 ILE HA 1 86 ILE MG 2.900 . 4.000 2.077 2.077 2.077 . 0 0 "[ ]" 1
512 1 32 MET HA 1 35 LEU H 3.400 . 5.000 3.870 3.870 3.870 . 0 0 "[ ]" 1
513 1 13 HIS H 1 13 HIS QB 2.650 . 3.500 2.197 2.197 2.197 . 0 0 "[ ]" 1
514 1 91 TRP HA 1 91 TRP QB 2.650 . 3.500 2.514 2.514 2.514 . 0 0 "[ ]" 1
515 1 39 ASN H 1 39 ASN QB 3.400 . 5.000 2.136 2.136 2.136 . 0 0 "[ ]" 1
516 1 28 ASN QB 1 29 SER H 3.400 . 5.000 2.428 2.428 2.428 . 0 0 "[ ]" 1
517 1 107 ASN H 1 107 ASN QB 3.400 . 5.000 2.158 2.158 2.158 . 0 0 "[ ]" 1
518 1 35 LEU H 1 35 LEU QB 3.400 . 5.000 2.504 2.504 2.504 . 0 0 "[ ]" 1
519 1 36 MET H 1 36 MET QG 3.400 . 5.000 4.024 4.024 4.024 . 0 0 "[ ]" 1
520 1 37 GLU QG 1 39 ASN H 3.400 . 5.000 3.968 3.968 3.968 . 0 0 "[ ]" 1
521 1 45 LEU QB 1 46 LEU H 3.400 . 5.000 2.891 2.891 2.891 . 0 0 "[ ]" 1
522 1 34 ILE HB 1 35 LEU H 2.650 . 3.500 2.046 2.046 2.046 . 0 0 "[ ]" 1
523 1 36 MET H 1 36 MET QB 2.650 . 3.500 2.364 2.364 2.364 . 0 0 "[ ]" 1
524 1 62 GLU HA 1 62 GLU QG 2.650 . 3.500 3.292 3.292 3.292 . 0 0 "[ ]" 1
525 1 10 ILE QG 1 10 ILE MG 2.900 . 4.000 2.061 2.061 2.061 . 0 0 "[ ]" 1
526 1 38 ARG QB 1 39 ASN H 3.400 . 5.000 3.223 3.223 3.223 . 0 0 "[ ]" 1
527 1 38 ARG QG 1 39 ASN H 3.900 . 6.000 1.938 1.938 1.938 . 0 0 "[ ]" 1
528 1 45 LEU HG 1 46 LEU H 3.400 . 5.000 4.947 4.947 4.947 . 0 0 "[ ]" 1
529 1 46 LEU H 1 47 ALA MB 3.650 . 5.500 4.221 4.221 4.221 . 0 0 "[ ]" 1
530 1 45 LEU QD 1 46 LEU H 3.650 . 5.500 3.747 3.747 3.747 . 0 0 "[ ]" 1
531 1 34 ILE MG 1 35 LEU H 2.900 . 4.000 2.822 2.822 2.822 . 0 0 "[ ]" 1
532 1 32 MET H 1 32 MET QG 3.400 . 5.000 2.860 2.860 2.860 . 0 0 "[ ]" 1
533 1 86 ILE MD 1 86 ILE MG 3.150 . 4.500 2.018 2.018 2.018 . 0 0 "[ ]" 1
534 1 64 ILE H 1 64 ILE MG 4.150 . 6.500 3.785 3.785 3.785 . 0 0 "[ ]" 1
535 1 41 ARG HA 1 44 ASN H 3.400 . 5.000 3.672 3.672 3.672 . 0 0 "[ ]" 1
536 1 41 ARG HA 1 44 ASN QD 3.400 . 5.000 3.807 3.807 3.807 . 0 0 "[ ]" 1
537 1 70 PRO HA 1 71 CYS H 3.400 . 5.000 3.427 3.427 3.427 . 0 0 "[ ]" 1
538 1 43 PRO HA 1 44 ASN H 3.900 . 6.000 3.522 3.522 3.522 . 0 0 "[ ]" 1
539 1 3 CYS HA 1 4 SER H 3.400 . 5.000 3.534 3.534 3.534 . 0 0 "[ ]" 1
540 1 68 LEU HA 1 71 CYS H 3.400 . 5.000 3.176 3.176 3.176 . 0 0 "[ ]" 1
541 1 99 THR H 1 99 THR HB 2.650 . 3.500 2.492 2.492 2.492 . 0 0 "[ ]" 1
542 1 69 LEU HA 1 71 CYS H 3.400 . 5.000 4.017 4.017 4.017 . 0 0 "[ ]" 1
543 1 34 ILE MG 1 35 LEU HA 3.650 . 5.500 3.414 3.414 3.414 . 0 0 "[ ]" 1
544 1 43 PRO QD 1 44 ASN H 3.900 . 6.000 2.688 2.688 2.688 . 0 0 "[ ]" 1
545 1 70 PRO QD 1 71 CYS H 3.400 . 5.000 2.574 2.574 2.574 . 0 0 "[ ]" 1
546 1 44 ASN H 1 44 ASN QB 3.400 . 5.000 2.736 2.736 2.736 . 0 0 "[ ]" 1
547 1 43 PRO QB 1 44 ASN H 3.900 . 6.000 3.334 3.334 3.334 . 0 0 "[ ]" 1
548 1 6 MET HA 1 6 MET QG 3.400 . 3.500 2.137 2.137 2.137 . 0 0 "[ ]" 1
549 1 93 GLU HA 1 93 GLU QG 3.400 . 5.000 2.866 2.866 2.866 . 0 0 "[ ]" 1
550 1 32 MET HA 1 35 LEU QB 3.900 . 5.000 3.437 3.437 3.437 . 0 0 "[ ]" 1
551 1 70 PRO QG 1 71 CYS H 3.400 . 5.000 3.247 3.247 3.247 . 0 0 "[ ]" 1
552 1 40 LEU QB 1 44 ASN QD 3.400 . 5.000 2.511 2.511 2.511 . 0 0 "[ ]" 1
553 1 3 CYS HA 1 6 MET QB 3.400 . 5.000 2.592 2.592 2.592 . 0 0 "[ ]" 1
554 1 93 GLU HA 1 93 GLU QB 2.650 . 3.500 2.372 2.372 2.372 . 0 0 "[ ]" 1
555 1 32 MET HA 1 32 MET QG 3.400 . 5.000 2.041 2.041 2.041 . 0 0 "[ ]" 1
556 1 34 ILE MG 1 35 LEU HG 2.900 . 4.000 3.059 3.059 3.059 . 0 0 "[ ]" 1
557 1 70 PRO QB 1 71 CYS H 3.400 . 5.000 3.580 3.580 3.580 . 0 0 "[ ]" 1
558 1 66 LYS H 1 66 LYS QB 2.650 . 3.500 2.348 2.348 2.348 . 0 0 "[ ]" 1
559 1 95 ARG HA 1 95 ARG QB 2.650 . 3.500 2.547 2.547 2.547 . 0 0 "[ ]" 1
560 1 34 ILE QG 1 34 ILE MG 2.900 . 4.000 2.303 2.303 2.303 . 0 0 "[ ]" 1
561 1 83 PRO QB 1 84 ILE MG 3.650 . 5.500 3.655 3.655 3.655 . 0 0 "[ ]" 1
562 1 99 THR H 1 99 THR MG 3.650 . 5.500 3.796 3.796 3.796 . 0 0 "[ ]" 1
563 1 32 MET HA 1 35 LEU QD 3.650 . 5.500 3.565 3.565 3.565 . 0 0 "[ ]" 1
564 1 98 LEU QB 1 99 THR H 2.650 . 3.500 2.627 2.627 2.627 . 0 0 "[ ]" 1
565 1 65 LEU H 1 66 LYS H 3.400 . 5.000 3.020 3.020 3.020 . 0 0 "[ ]" 1
566 1 50 ARG H 1 50 ARG HA 2.650 . 3.500 2.916 2.916 2.916 . 0 0 "[ ]" 1
567 1 30 GLU H 1 30 GLU HA 2.650 . 3.500 2.871 2.871 2.871 . 0 0 "[ ]" 1
568 1 7 ILE H 1 7 ILE HB 3.400 . 5.000 2.541 2.541 2.541 . 0 0 "[ ]" 1
569 1 7 ILE HB 1 8 ASP H 3.400 . 5.000 1.986 1.986 1.986 . 0 0 "[ ]" 1
570 1 7 ILE H 1 7 ILE MG 3.650 . 5.500 3.805 3.805 3.805 . 0 0 "[ ]" 1
571 1 7 ILE MG 1 8 ASP H 3.650 . 5.500 2.903 2.903 2.903 . 0 0 "[ ]" 1
572 1 67 ASN H 1 67 ASN QD 2.650 . 3.500 2.656 2.656 2.656 . 0 0 "[ ]" 1
573 1 61 ILE H 1 61 ILE HB 3.400 . 5.000 2.230 2.230 2.230 . 0 0 "[ ]" 1
574 1 60 ALA MB 1 61 ILE H 3.650 . 5.500 2.807 2.807 2.807 . 0 0 "[ ]" 1
575 1 61 ILE H 1 61 ILE MG 2.900 . 4.000 3.658 3.658 3.658 . 0 0 "[ ]" 1
576 1 80 THR H 1 80 THR HB 3.400 . 5.000 3.726 3.726 3.726 . 0 0 "[ ]" 1
577 1 39 ASN QD 1 40 LEU HA 3.400 . 5.000 4.208 4.208 4.208 . 0 0 "[ ]" 1
578 1 60 ALA HA 1 61 ILE H 3.400 . 5.000 3.518 3.518 3.518 . 0 0 "[ ]" 1
579 1 53 LYS HA 1 54 HIS H 3.400 . 5.000 3.538 3.538 3.538 . 0 0 "[ ]" 1
580 1 31 ASP HA 1 34 ILE HB 3.400 . 5.000 2.933 2.933 2.933 . 0 0 "[ ]" 1
581 1 4 SER QB 1 7 ILE HB 3.400 . 5.000 4.470 4.470 4.470 . 0 0 "[ ]" 1
582 1 7 ILE MG 1 8 ASP HA 3.650 . 5.500 3.348 3.348 3.348 . 0 0 "[ ]" 1
583 1 45 LEU HA 1 48 PHE QB 2.650 . 3.500 1.886 1.886 1.886 . 0 0 "[ ]" 1
584 1 7 ILE HA 1 7 ILE MG 2.900 . 4.000 2.265 2.265 2.265 . 0 0 "[ ]" 1
585 1 79 PRO QB 1 80 THR H 3.400 . 5.000 2.176 2.176 2.176 . 0 0 "[ ]" 1
586 1 30 GLU HA 1 30 GLU QG 2.650 . 3.500 2.172 2.172 2.172 . 0 0 "[ ]" 1
587 1 61 ILE H 1 61 ILE QG 3.400 . 5.000 2.553 2.553 2.553 . 0 0 "[ ]" 1
588 1 53 LYS QB 1 54 HIS H 3.400 . 5.000 2.712 2.712 2.712 . 0 0 "[ ]" 1
589 1 50 ARG HA 1 50 ARG QB 2.250 . 2.700 2.499 2.499 2.499 . 0 0 "[ ]" 1
590 1 2 ASN QB 1 5 ILE HB 3.400 . 5.000 2.188 2.188 2.188 . 0 0 "[ ]" 1
591 1 61 ILE MG 1 65 LEU HG 2.900 . 4.000 2.791 2.791 2.791 . 0 0 "[ ]" 1
592 1 61 ILE QG 1 61 ILE MG 2.900 . 4.000 2.136 2.136 2.136 . 0 0 "[ ]" 1
593 1 53 LYS QG 1 54 HIS H 3.400 . 5.000 4.523 4.523 4.523 . 0 0 "[ ]" 1
594 1 2 ASN QD 1 5 ILE MD 3.650 . 5.500 2.537 2.537 2.537 . 0 0 "[ ]" 1
595 1 2 ASN QB 1 5 ILE MD 3.650 . 5.500 1.892 1.892 1.892 . 0 0 "[ ]" 1
596 1 34 ILE HB 1 34 ILE MD 2.900 . 4.000 2.237 2.237 2.237 . 0 0 "[ ]" 1
597 1 78 ALA H 1 78 ALA MB 2.900 . 4.000 2.880 2.880 2.880 . 0 0 "[ ]" 1
598 1 88 ASP HA 1 89 GLY H 2.650 . 3.500 3.504 3.504 3.504 0.004 1 0 "[ ]" 1
599 1 75 ALA HA 1 76 THR H 3.400 . 5.000 3.577 3.577 3.577 . 0 0 "[ ]" 1
600 1 28 ASN HA 1 28 ASN QD 3.400 . 5.000 2.802 2.802 2.802 . 0 0 "[ ]" 1
601 1 44 ASN HA 1 47 ALA MB 2.900 . 4.000 2.656 2.656 2.656 . 0 0 "[ ]" 1
602 1 77 ALA HA 1 78 ALA MB 3.650 . 5.500 4.330 4.330 4.330 . 0 0 "[ ]" 1
603 1 3 CYS HA 1 6 MET ME 3.650 . 5.500 2.157 2.157 2.157 . 0 0 "[ ]" 1
604 1 6 MET HA 1 6 MET ME 3.650 . 5.500 4.429 4.429 4.429 . 0 0 "[ ]" 1
605 1 8 ASP HA 1 11 ILE MG 3.650 . 5.500 4.274 4.274 4.274 . 0 0 "[ ]" 1
606 1 5 ILE MG 1 6 MET HA 3.650 . 5.500 3.812 3.812 3.812 . 0 0 "[ ]" 1
607 1 64 ILE HA 1 67 ASN QD 3.900 . 6.000 4.311 4.311 4.311 . 0 0 "[ ]" 1
608 1 3 CYS QB 1 6 MET ME 4.150 . 6.500 3.818 3.818 3.818 . 0 0 "[ ]" 1
609 1 5 ILE MG 1 9 GLU QG 3.650 . 5.500 3.702 3.702 3.702 . 0 0 "[ ]" 1
610 1 78 ALA MB 1 79 PRO QG 3.650 . 5.500 4.035 4.035 4.035 . 0 0 "[ ]" 1
611 1 64 ILE HB 1 64 ILE MD 2.900 . 4.000 3.221 3.221 3.221 . 0 0 "[ ]" 1
612 1 37 GLU HA 1 38 ARG H 2.650 . 3.500 2.181 2.181 2.181 . 0 0 "[ ]" 1
613 1 36 MET H 1 36 MET ME 4.150 . 6.500 5.191 5.191 5.191 . 0 0 "[ ]" 1
614 1 10 ILE HB 1 11 ILE H 2.650 . 3.500 3.020 3.020 3.020 . 0 0 "[ ]" 1
615 1 65 LEU HA 1 68 LEU H 3.400 . 5.000 3.230 3.230 3.230 . 0 0 "[ ]" 1
616 1 5 ILE HB 1 6 MET H 3.400 . 5.000 2.737 2.737 2.737 . 0 0 "[ ]" 1
617 1 57 ASN HA 1 57 ASN QB 2.650 . 3.500 2.480 2.480 2.480 . 0 0 "[ ]" 1
618 1 62 GLU HA 1 63 SER H 3.400 . 5.000 3.487 3.487 3.487 . 0 0 "[ ]" 1
619 1 62 GLU QB 1 63 SER H 3.400 . 5.000 3.523 3.523 3.523 . 0 0 "[ ]" 1
620 1 46 LEU HA 1 49 VAL HB 2.650 . 3.500 3.362 3.362 3.362 . 0 0 "[ ]" 1
621 1 65 LEU HA 1 68 LEU QB 3.400 . 5.000 2.229 2.229 2.229 . 0 0 "[ ]" 1
622 1 46 LEU HA 1 46 LEU QB 2.650 . 3.500 2.554 2.554 2.554 . 0 0 "[ ]" 1
623 1 84 ILE HA 1 84 ILE MD 2.900 . 4.000 1.867 1.867 1.867 . 0 0 "[ ]" 1
624 1 106 GLU HA 1 106 GLU QG 2.650 . 3.500 2.299 2.299 2.299 . 0 0 "[ ]" 1
625 1 53 LYS HA 1 53 LYS QB 2.650 . 3.500 2.540 2.540 2.540 . 0 0 "[ ]" 1
626 1 102 LEU HA 1 105 LEU QB 2.650 . 3.500 2.576 2.576 2.576 . 0 0 "[ ]" 1
627 1 87 LYS HA 1 87 LYS QB 2.650 . 3.500 2.534 2.534 2.534 . 0 0 "[ ]" 1
628 1 53 LYS HA 1 53 LYS QG 2.650 . 3.500 2.258 2.258 2.258 . 0 0 "[ ]" 1
629 1 105 LEU QD 1 106 GLU HA 2.500 . 3.200 2.161 2.161 2.161 . 0 0 "[ ]" 1
630 1 105 LEU HA 1 106 GLU H 3.400 . 5.000 3.573 3.573 3.573 . 0 0 "[ ]" 1
631 1 37 GLU QG 1 40 LEU H 3.400 . 5.000 3.748 3.748 3.748 . 0 0 "[ ]" 1
632 1 37 GLU H 1 37 GLU QG 3.400 . 5.000 3.766 3.766 3.766 . 0 0 "[ ]" 1
633 1 92 ASN HA 1 92 ASN QB 2.250 . 2.700 2.449 2.449 2.449 . 0 0 "[ ]" 1
634 1 56 GLU HA 1 56 GLU QG 3.400 . 5.000 2.144 2.144 2.144 . 0 0 "[ ]" 1
635 1 103 LYS QB 1 104 THR H 3.400 . 5.000 2.192 2.192 2.192 . 0 0 "[ ]" 1
636 1 37 GLU QG 1 40 LEU QB 3.400 . 5.000 3.384 3.384 3.384 . 0 0 "[ ]" 1
637 1 37 GLU QG 1 40 LEU HG 3.400 . 5.000 3.616 3.616 3.616 . 0 0 "[ ]" 1
638 1 30 GLU QG 1 34 ILE MD 3.650 . 5.500 3.149 3.149 3.149 . 0 0 "[ ]" 1
639 1 101 TYR QE 1 102 LEU H 3.650 . 5.500 4.131 4.131 4.131 . 0 0 "[ ]" 1
640 1 62 GLU QG 1 63 SER H 3.400 . 5.000 2.159 2.159 2.159 . 0 0 "[ ]" 1
641 1 10 ILE MD 1 11 ILE H 3.650 . 5.500 4.495 4.495 4.495 . 0 0 "[ ]" 1
642 1 10 ILE H 1 10 ILE MD 3.650 . 5.500 3.342 3.342 3.342 . 0 0 "[ ]" 1
643 1 59 SER QB 1 62 GLU QG 3.400 . 5.000 3.957 3.957 3.957 . 0 0 "[ ]" 1
644 1 10 ILE HA 1 10 ILE MD 3.650 . 5.500 3.914 3.914 3.914 . 0 0 "[ ]" 1
645 1 7 ILE HA 1 10 ILE MD 3.650 . 5.500 2.910 2.910 2.910 . 0 0 "[ ]" 1
646 1 36 MET HA 1 36 MET QG 3.400 . 5.000 2.216 2.216 2.216 . 0 0 "[ ]" 1
647 1 109 GLN HA 1 109 GLN QG 2.650 . 3.500 2.307 2.307 2.307 . 0 0 "[ ]" 1
648 1 36 MET HA 1 36 MET QB 2.650 . 3.500 2.402 2.402 2.402 . 0 0 "[ ]" 1
649 1 10 ILE HB 1 10 ILE MD 2.900 . 4.000 2.079 2.079 2.079 . 0 0 "[ ]" 1
650 1 21 LEU HA 1 21 LEU QB 2.650 . 3.500 2.499 2.499 2.499 . 0 0 "[ ]" 1
651 1 7 ILE MD 1 8 ASP H 3.650 . 5.500 3.544 3.544 3.544 . 0 0 "[ ]" 1
652 1 61 ILE H 1 61 ILE MD 3.650 . 5.500 3.188 3.188 3.188 . 0 0 "[ ]" 1
653 1 3 CYS HA 1 7 ILE MD 3.650 . 5.500 4.332 4.332 4.332 . 0 0 "[ ]" 1
654 1 61 ILE HA 1 61 ILE MD 4.150 . 6.500 3.774 3.774 3.774 . 0 0 "[ ]" 1
655 1 7 ILE HA 1 7 ILE MD 3.650 . 5.500 3.868 3.868 3.868 . 0 0 "[ ]" 1
656 1 3 CYS QB 1 7 ILE MD 3.650 . 5.500 3.395 3.395 3.395 . 0 0 "[ ]" 1
657 1 84 ILE MD 1 85 HIS QB 3.650 . 5.500 4.218 4.218 4.218 . 0 0 "[ ]" 1
658 1 83 PRO QB 1 84 ILE MD 3.900 . 6.000 4.479 4.479 4.479 . 0 0 "[ ]" 1
659 1 47 ALA HA 1 50 ARG QB 3.400 . 5.000 2.467 2.467 2.467 . 0 0 "[ ]" 1
660 1 61 ILE MD 1 61 ILE MG 2.750 . 3.700 2.351 2.351 2.351 . 0 0 "[ ]" 1
661 1 74 LEU H 1 74 LEU HA 2.650 . 3.500 2.985 2.985 2.985 . 0 0 "[ ]" 1
662 1 60 ALA H 1 60 ALA HA 2.650 . 3.500 2.830 2.830 2.830 . 0 0 "[ ]" 1
663 1 22 LEU HA 1 23 ASP H 2.650 . 3.500 2.972 2.972 2.972 . 0 0 "[ ]" 1
664 1 60 ALA HA 1 63 SER QB 3.400 . 5.000 2.686 2.686 2.686 . 0 0 "[ ]" 1
665 1 22 LEU HA 1 22 LEU QB 2.650 . 3.500 2.337 2.337 2.337 . 0 0 "[ ]" 1
666 1 8 ASP HA 1 11 ILE MD 3.650 . 5.500 4.045 4.045 4.045 . 0 0 "[ ]" 1
667 1 5 ILE H 1 5 ILE MD 3.650 . 5.500 3.506 3.506 3.506 . 0 0 "[ ]" 1
668 1 5 ILE HA 1 5 ILE MD 3.650 . 5.500 3.841 3.841 3.841 . 0 0 "[ ]" 1
669 1 110 ALA HA 1 111 GLN H 3.400 . 5.000 3.571 3.571 3.571 . 0 0 "[ ]" 1
670 1 72 LEU HA 1 73 PRO QD 2.650 . 3.500 2.001 2.001 2.001 . 0 0 "[ ]" 1
671 1 66 LYS HA 1 66 LYS QB 2.650 . 3.500 2.185 2.185 2.185 . 0 0 "[ ]" 1
672 1 93 GLU QG 1 97 LYS QB 3.400 . 5.000 3.428 3.428 3.428 . 0 0 "[ ]" 1
673 1 5 ILE MG 1 6 MET H 4.150 . 6.500 3.705 3.705 3.705 . 0 0 "[ ]" 1
674 1 3 CYS HA 1 7 ILE H 3.400 . 5.000 5.028 5.028 5.028 0.028 1 0 "[ ]" 1
675 1 5 ILE HA 1 8 ASP H 3.400 . 5.000 3.917 3.917 3.917 . 0 0 "[ ]" 1
676 1 5 ILE HA 1 9 GLU H 3.400 . 5.000 3.921 3.921 3.921 . 0 0 "[ ]" 1
677 1 8 ASP HA 1 11 ILE HB 3.400 . 5.000 3.232 3.232 3.232 . 0 0 "[ ]" 1
678 1 7 ILE HA 1 10 ILE HB 3.400 . 5.000 4.169 4.169 4.169 . 0 0 "[ ]" 1
679 1 10 ILE MG 1 13 HIS H 3.000 . 4.200 3.404 3.404 3.404 . 0 0 "[ ]" 1
680 1 15 LYS HA 1 15 LYS QG 3.400 . 5.000 2.182 2.182 2.182 . 0 0 "[ ]" 1
681 1 16 ARG HA 1 17 PRO QD 3.400 . 5.000 2.191 2.191 2.191 . 0 0 "[ ]" 1
682 1 19 ASN QB 1 20 PRO QD 3.400 . 5.000 1.974 1.974 1.974 . 0 0 "[ ]" 1
683 1 106 GLU HA 1 109 GLN H 3.400 . 5.000 3.195 3.195 3.195 . 0 0 "[ ]" 1
684 1 22 LEU H 1 22 LEU HG 2.650 . 3.500 3.294 3.294 3.294 . 0 0 "[ ]" 1
685 1 22 LEU HA 1 22 LEU HG 3.400 . 5.000 2.420 2.420 2.420 . 0 0 "[ ]" 1
686 1 27 LEU QD 1 28 ASN H 4.150 . 6.500 3.587 3.587 3.587 . 0 0 "[ ]" 1
687 1 30 GLU HA 1 33 ASP H 2.650 . 3.500 3.505 3.505 3.505 0.005 1 0 "[ ]" 1
688 1 31 ASP QB 1 32 MET H 3.900 . 6.000 2.783 2.783 2.783 . 0 0 "[ ]" 1
689 1 27 LEU QB 1 32 MET HA 3.400 . 5.000 4.455 4.455 4.455 . 0 0 "[ ]" 1
690 1 27 LEU QD 1 32 MET HA 4.150 . 6.500 2.577 2.577 2.577 . 0 0 "[ ]" 1
691 1 32 MET H 1 32 MET QB 3.400 . 5.000 2.181 2.181 2.181 . 0 0 "[ ]" 1
692 1 37 GLU H 1 38 ARG H 3.900 . 6.000 4.447 4.447 4.447 . 0 0 "[ ]" 1
693 1 34 ILE HA 1 37 GLU H 3.900 . 6.000 3.535 3.535 3.535 . 0 0 "[ ]" 1
694 1 38 ARG H 1 38 ARG QD 3.900 . 6.000 3.895 3.895 3.895 . 0 0 "[ ]" 1
695 1 37 GLU QG 1 39 ASN QB 3.400 . 5.000 4.094 4.094 4.094 . 0 0 "[ ]" 1
696 1 39 ASN QB 1 40 LEU H 3.900 . 6.000 2.812 2.812 2.812 . 0 0 "[ ]" 1
697 1 37 GLU HA 1 40 LEU H 3.900 . 6.000 4.163 4.163 4.163 . 0 0 "[ ]" 1
698 1 39 ASN H 1 41 ARG H 3.900 . 6.000 4.189 4.189 4.189 . 0 0 "[ ]" 1
699 1 42 THR HA 1 43 PRO QD 2.650 . 3.500 3.470 3.470 3.470 . 0 0 "[ ]" 1
700 1 42 THR HA 1 45 LEU QB 3.400 . 5.000 2.307 2.307 2.307 . 0 0 "[ ]" 1
701 1 47 ALA HA 1 50 ARG H 3.900 . 6.000 3.337 3.337 3.337 . 0 0 "[ ]" 1
702 1 47 ALA HA 1 48 PHE H 3.400 . 5.000 3.422 3.422 3.422 . 0 0 "[ ]" 1
703 1 47 ALA HA 1 50 ARG QG 3.400 . 5.000 3.678 3.678 3.678 . 0 0 "[ ]" 1
704 1 49 VAL HA 1 52 VAL HB 3.900 . 6.000 3.636 3.636 3.636 . 0 0 "[ ]" 1
705 1 52 VAL HA 1 54 HIS H 3.400 . 5.000 4.113 4.113 4.113 . 0 0 "[ ]" 1
706 1 52 VAL HA 1 55 LEU QB 3.400 . 5.000 1.809 1.809 1.809 . 0 0 "[ ]" 1
707 1 55 LEU QD 1 57 ASN H 4.150 . 6.500 4.329 4.329 4.329 . 0 0 "[ ]" 1
708 1 55 LEU QD 1 56 GLU H 4.150 . 6.500 2.754 2.754 2.754 . 0 0 "[ ]" 1
709 1 10 ILE HA 1 13 HIS H 2.650 . 3.500 2.913 2.913 2.913 . 0 0 "[ ]" 1
710 1 41 ARG HA 1 44 ASN QB 3.400 . 5.000 3.407 3.407 3.407 . 0 0 "[ ]" 1
711 1 42 THR HA 1 46 LEU H 3.900 . 6.000 4.637 4.637 4.637 . 0 0 "[ ]" 1
712 1 52 VAL HA 1 53 LYS H 3.400 . 5.000 3.484 3.484 3.484 . 0 0 "[ ]" 1
713 1 52 VAL HA 1 53 LYS HA 3.900 . 6.000 4.813 4.813 4.813 . 0 0 "[ ]" 1
714 1 56 GLU HA 1 58 ALA H 2.650 . 3.500 3.514 3.514 3.514 0.014 1 0 "[ ]" 1
715 1 55 LEU QD 1 58 ALA MB 3.900 . 6.000 1.680 1.680 1.680 0.120 1 0 "[ ]" 1
716 1 60 ALA HA 1 63 SER H 3.400 . 5.000 3.409 3.409 3.409 . 0 0 "[ ]" 1
717 1 61 ILE HA 1 64 ILE H 2.650 . 3.500 3.062 3.062 3.062 . 0 0 "[ ]" 1
718 1 62 GLU HA 1 65 LEU QB 3.900 . 6.000 3.029 3.029 3.029 . 0 0 "[ ]" 1
719 1 63 SER H 1 65 LEU H 3.400 . 5.000 4.653 4.653 4.653 . 0 0 "[ ]" 1
720 1 64 ILE HB 1 65 LEU HA 3.400 . 5.000 4.142 4.142 4.142 . 0 0 "[ ]" 1
721 1 65 LEU QB 1 66 LYS H 3.900 . 6.000 2.326 2.326 2.326 . 0 0 "[ ]" 1
722 1 62 GLU HA 1 66 LYS H 3.900 . 6.000 3.546 3.546 3.546 . 0 0 "[ ]" 1
723 1 66 LYS HA 1 69 LEU H 3.400 . 5.000 3.660 3.660 3.660 . 0 0 "[ ]" 1
724 1 68 LEU H 1 70 PRO QD 3.900 . 6.000 3.670 3.670 3.670 . 0 0 "[ ]" 1
725 1 43 PRO QG 1 44 ASN H 3.900 . 6.000 2.819 2.819 2.819 . 0 0 "[ ]" 1
726 1 42 THR HB 1 43 PRO QG 3.400 . 5.000 4.568 4.568 4.568 . 0 0 "[ ]" 1
727 1 69 LEU HA 1 70 PRO QD 2.650 . 3.500 3.462 3.462 3.462 . 0 0 "[ ]" 1
728 1 69 LEU H 1 71 CYS H 3.900 . 6.000 3.988 3.988 3.988 . 0 0 "[ ]" 1
729 1 76 THR H 1 77 ALA MB 3.650 . 5.500 4.611 4.611 4.611 . 0 0 "[ ]" 1
730 1 79 PRO QB 1 81 ARG H 3.400 . 5.000 3.699 3.699 3.699 . 0 0 "[ ]" 1
731 1 81 ARG HA 1 81 ARG QD 3.400 . 5.000 4.435 4.435 4.435 . 0 0 "[ ]" 1
732 1 82 HIS H 1 83 PRO QD 3.400 . 5.000 4.398 4.398 4.398 . 0 0 "[ ]" 1
733 1 82 HIS HA 1 83 PRO QG 3.400 . 5.000 3.963 3.963 3.963 . 0 0 "[ ]" 1
734 1 83 PRO HA 1 83 PRO QD 3.400 . 5.000 3.491 3.491 3.491 . 0 0 "[ ]" 1
735 1 65 LEU HA 1 69 LEU H 3.900 . 6.000 4.626 4.626 4.626 . 0 0 "[ ]" 1
736 1 84 ILE HA 1 85 HIS QB 3.900 . 6.000 3.670 3.670 3.670 . 0 0 "[ ]" 1
737 1 84 ILE MG 1 85 HIS H 4.150 . 6.500 1.994 1.994 1.994 . 0 0 "[ ]" 1
738 1 86 ILE H 1 87 LYS H 3.900 . 6.000 4.488 4.488 4.488 . 0 0 "[ ]" 1
739 1 86 ILE HA 1 86 ILE MD 3.650 . 5.500 2.189 2.189 2.189 . 0 0 "[ ]" 1
740 1 87 LYS HA 1 87 LYS QD 3.400 . 5.000 1.981 1.981 1.981 . 0 0 "[ ]" 1
741 1 88 ASP QB 1 89 GLY H 3.900 . 6.000 2.958 2.958 2.958 . 0 0 "[ ]" 1
742 1 91 TRP H 1 91 TRP HD1 3.900 . 6.000 3.759 3.759 3.759 . 0 0 "[ ]" 1
743 1 92 ASN HA 1 93 GLU H 3.400 . 5.000 3.560 3.560 3.560 . 0 0 "[ ]" 1
744 1 92 ASN HA 1 95 ARG QB 3.400 . 3.500 1.970 1.970 1.970 . 0 0 "[ ]" 1
745 1 93 GLU HA 1 96 ARG H 3.400 . 5.000 4.047 4.047 4.047 . 0 0 "[ ]" 1
746 1 93 GLU HA 1 94 PHE H 3.400 . 5.000 3.605 3.605 3.605 . 0 0 "[ ]" 1
747 1 94 PHE H 1 94 PHE QD 4.150 . 6.500 1.880 1.880 1.880 . 0 0 "[ ]" 1
748 1 94 PHE HA 1 95 ARG H 3.400 . 5.000 3.448 3.448 3.448 . 0 0 "[ ]" 1
749 1 95 ARG HA 1 98 LEU H 3.900 . 6.000 4.490 4.490 4.490 . 0 0 "[ ]" 1
750 1 96 ARG H 1 96 ARG HE 2.650 . 3.500 3.061 3.061 3.061 . 0 0 "[ ]" 1
751 1 64 ILE QG 1 65 LEU H 3.400 . 5.000 3.734 3.734 3.734 . 0 0 "[ ]" 1
752 1 97 LYS HA 1 100 PHE QB 3.900 . 6.000 3.442 3.442 3.442 . 0 0 "[ ]" 1
753 1 83 PRO QB 1 84 ILE H 3.400 . 5.000 1.883 1.883 1.883 . 0 0 "[ ]" 1
754 1 97 LYS H 1 97 LYS QB 3.400 . 5.000 2.443 2.443 2.443 . 0 0 "[ ]" 1
755 1 98 LEU H 1 98 LEU QD 4.150 . 6.500 3.430 3.430 3.430 . 0 0 "[ ]" 1
756 1 98 LEU HA 1 101 TYR H 3.900 . 6.000 3.219 3.219 3.219 . 0 0 "[ ]" 1
757 1 98 LEU HA 1 102 LEU QB 3.900 . 6.000 5.088 5.088 5.088 . 0 0 "[ ]" 1
758 1 98 LEU HA 1 102 LEU QD 4.150 . 6.500 3.968 3.968 3.968 . 0 0 "[ ]" 1
759 1 98 LEU QD 1 101 TYR H 4.150 . 6.500 4.335 4.335 4.335 . 0 0 "[ ]" 1
760 1 99 THR HA 1 100 PHE H 3.900 . 6.000 3.550 3.550 3.550 . 0 0 "[ ]" 1
761 1 99 THR MG 1 103 LYS H 4.150 . 6.500 4.610 4.610 4.610 . 0 0 "[ ]" 1
762 1 99 THR MG 1 100 PHE QB 3.650 . 5.500 3.613 3.613 3.613 . 0 0 "[ ]" 1
763 1 99 THR MG 1 103 LYS QB 3.650 . 5.500 3.427 3.427 3.427 . 0 0 "[ ]" 1
764 1 100 PHE HA 1 103 LYS H 3.400 . 5.000 4.130 4.130 4.130 . 0 0 "[ ]" 1
765 1 101 TYR HA 1 101 TYR QD 2.900 . 4.000 2.605 2.605 2.605 . 0 0 "[ ]" 1
766 1 101 TYR H 1 101 TYR QB 3.400 . 5.000 2.189 2.189 2.189 . 0 0 "[ ]" 1
767 1 98 LEU QD 1 101 TYR QB 4.150 . 6.500 2.437 2.437 2.437 . 0 0 "[ ]" 1
768 1 101 TYR HA 1 102 LEU H 3.900 . 6.000 3.554 3.554 3.554 . 0 0 "[ ]" 1
769 1 99 THR HA 1 102 LEU QB 3.900 . 6.000 3.923 3.923 3.923 . 0 0 "[ ]" 1
770 1 102 LEU H 1 102 LEU HG 3.900 . 6.000 1.869 1.869 1.869 . 0 0 "[ ]" 1
771 1 101 TYR QD 1 102 LEU HG 4.150 . 6.500 1.980 1.980 1.980 . 0 0 "[ ]" 1
772 1 103 LYS QB 1 104 THR MG 4.150 . 6.500 4.049 4.049 4.049 . 0 0 "[ ]" 1
773 1 104 THR H 1 106 GLU H 3.900 . 6.000 5.105 5.105 5.105 . 0 0 "[ ]" 1
774 1 101 TYR HA 1 104 THR H 3.900 . 6.000 4.007 4.007 4.007 . 0 0 "[ ]" 1
775 1 104 THR HA 1 107 ASN H 3.900 . 6.000 3.601 3.601 3.601 . 0 0 "[ ]" 1
776 1 104 THR HA 1 105 LEU H 3.900 . 6.000 3.486 3.486 3.486 . 0 0 "[ ]" 1
777 1 104 THR HA 1 107 ASN QB 3.400 . 5.000 2.233 2.233 2.233 . 0 0 "[ ]" 1
778 1 104 THR H 1 104 THR HB 3.900 . 6.000 2.482 2.482 2.482 . 0 0 "[ ]" 1
779 1 101 TYR HA 1 104 THR MG 4.150 . 6.500 2.359 2.359 2.359 . 0 0 "[ ]" 1
780 1 103 LYS H 1 105 LEU H 3.900 . 6.000 3.873 3.873 3.873 . 0 0 "[ ]" 1
781 1 105 LEU QD 1 108 ALA H 3.650 . 5.500 4.022 4.022 4.022 . 0 0 "[ ]" 1
782 1 101 TYR QE 1 105 LEU QD 4.400 . 7.000 4.835 4.835 4.835 . 0 0 "[ ]" 1
783 1 105 LEU H 1 105 LEU HG 3.400 . 5.000 4.696 4.696 4.696 . 0 0 "[ ]" 1
784 1 105 LEU HA 1 105 LEU HG 3.400 . 5.000 3.659 3.659 3.659 . 0 0 "[ ]" 1
785 1 111 GLN HA 1 111 GLN QE 3.900 . 6.000 4.264 4.264 4.264 . 0 0 "[ ]" 1
786 1 109 GLN QG 1 110 ALA H 3.400 . 5.000 4.140 4.140 4.140 . 0 0 "[ ]" 1
787 1 35 LEU HA 1 35 LEU HG 3.400 . 5.000 2.862 2.862 2.862 . 0 0 "[ ]" 1
788 1 40 LEU HA 1 40 LEU HG 3.400 . 5.000 3.635 3.635 3.635 . 0 0 "[ ]" 1
789 1 10 ILE H 1 14 LEU QD 4.150 . 6.500 4.664 4.664 4.664 . 0 0 "[ ]" 1
790 1 15 LYS HA 1 15 LYS QD 3.400 . 5.000 4.024 4.024 4.024 . 0 0 "[ ]" 1
791 1 22 LEU H 1 22 LEU QD 3.650 . 5.500 2.038 2.038 2.038 . 0 0 "[ ]" 1
792 1 4 SER H 1 6 MET H 3.900 . 6.000 4.082 4.082 4.082 . 0 0 "[ ]" 1
793 1 4 SER H 1 6 MET ME 4.150 . 6.500 4.981 4.981 4.981 . 0 0 "[ ]" 1
794 1 2 ASN HA 1 5 ILE H 3.900 . 6.000 3.658 3.658 3.658 . 0 0 "[ ]" 1
795 1 2 ASN QB 1 5 ILE QG 3.900 . 6.000 2.434 2.434 2.434 . 0 0 "[ ]" 1
796 1 9 GLU H 1 9 GLU QG 3.900 . 6.000 3.999 3.999 3.999 . 0 0 "[ ]" 1
797 1 11 ILE HA 1 14 LEU HG 3.900 . 6.000 4.960 4.960 4.960 . 0 0 "[ ]" 1
798 1 28 ASN H 1 31 ASP QB 3.900 . 6.000 1.974 1.974 1.974 . 0 0 "[ ]" 1
799 1 37 GLU QB 1 40 LEU H 3.900 . 6.000 1.992 1.992 1.992 . 0 0 "[ ]" 1
800 1 42 THR MG 1 43 PRO HA 3.900 . 6.000 2.974 2.974 2.974 . 0 0 "[ ]" 1
801 1 42 THR H 1 44 ASN H 3.900 . 6.000 4.171 4.171 4.171 . 0 0 "[ ]" 1
802 1 44 ASN QB 1 48 PHE QE 4.150 . 6.500 1.894 1.894 1.894 . 0 0 "[ ]" 1
803 1 43 PRO QD 1 45 LEU H 3.900 . 6.000 4.062 4.062 4.062 . 0 0 "[ ]" 1
804 1 59 SER QB 1 62 GLU QB 3.900 . 6.000 4.307 4.307 4.307 . 0 0 "[ ]" 1
805 1 58 ALA HA 1 61 ILE MD 4.150 . 6.500 2.105 2.105 2.105 . 0 0 "[ ]" 1
806 1 69 LEU QD 1 70 PRO QD 4.150 . 6.500 3.303 3.303 3.303 . 0 0 "[ ]" 1
807 1 94 PHE HA 1 98 LEU H 3.900 . 6.000 2.469 2.469 2.469 . 0 0 "[ ]" 1
808 1 93 GLU QB 1 96 ARG HE 3.900 . 6.000 5.357 5.357 5.357 . 0 0 "[ ]" 1
809 1 93 GLU HA 1 96 ARG QB 3.900 . 6.000 4.081 4.081 4.081 . 0 0 "[ ]" 1
810 1 93 GLU QG 1 97 LYS QE 3.900 . 6.000 4.005 4.005 4.005 . 0 0 "[ ]" 1
811 1 99 THR H 1 101 TYR H 3.900 . 6.000 3.739 3.739 3.739 . 0 0 "[ ]" 1
812 1 98 LEU QD 1 102 LEU QB 4.150 . 6.500 3.990 3.990 3.990 . 0 0 "[ ]" 1
813 1 63 SER H 1 66 LYS QB 3.900 . 6.000 5.202 5.202 5.202 . 0 0 "[ ]" 1
814 1 34 ILE HA 1 37 GLU QG 3.900 . 6.000 4.562 4.562 4.562 . 0 0 "[ ]" 1
815 1 40 LEU QB 1 44 ASN H 3.900 . 6.000 4.561 4.561 4.561 . 0 0 "[ ]" 1
816 1 92 ASN QD 1 95 ARG QG 3.900 . 6.000 3.600 3.600 3.600 . 0 0 "[ ]" 1
817 1 29 SER HA 1 32 MET H 3.900 . 6.000 3.502 3.502 3.502 . 0 0 "[ ]" 1
818 1 27 LEU QB 1 32 MET QG 3.900 . 6.000 3.903 3.903 3.903 . 0 0 "[ ]" 1
819 1 27 LEU QD 1 96 ARG QD 4.150 . 6.500 2.461 2.461 2.461 . 0 0 "[ ]" 1
820 1 10 ILE QG 1 64 ILE MG 2.900 . 4.000 2.711 2.711 2.711 . 0 0 "[ ]" 1
821 1 52 VAL QG 1 62 GLU QB 2.900 . 4.000 1.632 1.632 1.632 0.168 1 0 "[ ]" 1
822 1 35 LEU QD 1 84 ILE QG 2.900 . 4.000 1.847 1.847 1.847 . 0 0 "[ ]" 1
823 1 73 PRO QD 1 105 LEU QD 2.900 . 4.000 2.196 2.196 2.196 . 0 0 "[ ]" 1
824 1 91 TRP HZ3 1 98 LEU QD 2.900 . 4.000 2.330 2.330 2.330 . 0 0 "[ ]" 1
825 1 7 ILE HA 1 102 LEU QD 4.150 . 6.500 3.034 3.034 3.034 . 0 0 "[ ]" 1
826 1 42 THR HA 1 72 LEU QD 2.900 . 4.000 1.992 1.992 1.992 . 0 0 "[ ]" 1
827 1 55 LEU HA 1 94 PHE QE 3.150 . 4.500 3.612 3.612 3.612 . 0 0 "[ ]" 1
828 1 40 LEU QD 1 83 PRO HA 3.650 . 5.500 3.346 3.346 3.346 . 0 0 "[ ]" 1
829 1 14 LEU QD 1 99 THR HA 3.650 . 5.500 2.622 2.622 2.622 . 0 0 "[ ]" 1
830 1 35 LEU QD 1 100 PHE QD 3.900 . 6.000 2.643 2.643 2.643 . 0 0 "[ ]" 1
831 1 65 LEU QD 1 101 TYR QE 4.400 . 7.000 2.171 2.171 2.171 . 0 0 "[ ]" 1
832 1 35 LEU QD 1 97 LYS HA 3.650 . 5.500 2.133 2.133 2.133 . 0 0 "[ ]" 1
833 1 27 LEU QD 1 97 LYS HA 4.150 . 5.500 2.370 2.370 2.370 . 0 0 "[ ]" 1
834 1 49 VAL HA 1 65 LEU QD 3.650 . 5.500 3.669 3.669 3.669 . 0 0 "[ ]" 1
835 1 27 LEU QD 1 100 PHE QB 4.150 . 6.500 3.470 3.470 3.470 . 0 0 "[ ]" 1
836 1 48 PHE QB 1 65 LEU QD 4.150 . 5.500 2.124 2.124 2.124 . 0 0 "[ ]" 1
837 1 35 LEU QD 1 97 LYS QB 2.900 . 4.000 2.156 2.156 2.156 . 0 0 "[ ]" 1
838 1 45 LEU QD 1 68 LEU QB 2.900 . 4.000 1.946 1.946 1.946 . 0 0 "[ ]" 1
839 1 27 LEU QD 1 35 LEU QD 3.900 . 6.000 2.587 2.587 2.587 . 0 0 "[ ]" 1
840 1 14 LEU QD 1 98 LEU QD 3.900 . 6.000 1.824 1.824 1.824 . 0 0 "[ ]" 1
841 1 72 LEU QD 1 105 LEU QD 3.150 . 4.500 1.749 1.749 1.749 0.051 1 0 "[ ]" 1
842 1 3 CYS QB 1 68 LEU QD 4.150 . 6.500 3.680 3.680 3.680 . 0 0 "[ ]" 1
843 1 27 LEU QD 1 96 ARG QB 3.650 . 5.500 1.665 1.665 1.665 0.135 1 0 "[ ]" 1
844 1 35 LEU QD 1 101 TYR QD 3.900 . 6.000 1.849 1.849 1.849 . 0 0 "[ ]" 1
845 1 35 LEU QD 1 48 PHE HZ 3.650 . 5.500 1.738 1.738 1.738 0.062 1 0 "[ ]" 1
846 1 35 LEU QD 1 48 PHE QE 3.900 . 6.000 1.925 1.925 1.925 . 0 0 "[ ]" 1
847 1 72 LEU HA 1 105 LEU QD 3.650 . 5.500 2.376 2.376 2.376 . 0 0 "[ ]" 1
848 1 52 VAL QG 1 62 GLU HA 2.900 . 4.000 2.133 2.133 2.133 . 0 0 "[ ]" 1
849 1 41 ARG QD 1 105 LEU QD 4.150 . 6.500 3.834 3.834 3.834 . 0 0 "[ ]" 1
850 1 49 VAL QG 1 66 LYS QB 2.900 . 4.000 2.039 2.039 2.039 . 0 0 "[ ]" 1
851 1 65 LEU QD 1 98 LEU QD 3.900 . 6.000 1.703 1.703 1.703 0.097 1 0 "[ ]" 1
852 1 35 LEU QD 1 84 ILE MG 3.900 . 4.500 2.457 2.457 2.457 . 0 0 "[ ]" 1
853 1 41 ARG QD 1 72 LEU QD 4.150 . 6.500 3.628 3.628 3.628 . 0 0 "[ ]" 1
854 1 55 LEU QD 1 91 TRP HA 3.650 . 5.500 2.651 2.651 2.651 . 0 0 "[ ]" 1
855 1 39 ASN QD 1 77 ALA H 3.900 . 6.000 3.700 3.700 3.700 . 0 0 "[ ]" 1
856 1 45 LEU H 1 101 TYR QE 4.150 . 6.500 3.586 3.586 3.586 . 0 0 "[ ]" 1
857 1 38 ARG QD 1 76 THR MG 3.650 . 5.500 3.879 3.879 3.879 . 0 0 "[ ]" 1
858 1 39 ASN QB 1 77 ALA H 3.900 . 6.000 5.337 5.337 5.337 . 0 0 "[ ]" 1
859 1 49 VAL QG 1 66 LYS QE 3.650 . 5.500 3.359 3.359 3.359 . 0 0 "[ ]" 1
860 1 36 MET QG 1 104 THR MG 4.150 . 6.500 3.481 3.481 3.481 . 0 0 "[ ]" 1
861 1 36 MET ME 1 104 THR MG 4.400 . 7.000 3.937 3.937 3.937 . 0 0 "[ ]" 1
862 1 49 VAL QG 1 66 LYS QG 3.650 . 5.500 3.589 3.589 3.589 . 0 0 "[ ]" 1
863 1 48 PHE HA 1 86 ILE MD 3.650 . 5.500 3.395 3.395 3.395 . 0 0 "[ ]" 1
864 1 39 ASN QD 1 77 ALA MB 3.900 . 6.000 3.837 3.837 3.837 . 0 0 "[ ]" 1
865 1 48 PHE QE 1 98 LEU H 4.150 . 6.500 3.380 3.380 3.380 . 0 0 "[ ]" 1
866 1 53 LYS QE 1 62 GLU QG 3.400 . 5.000 2.276 2.276 2.276 . 0 0 "[ ]" 1
867 1 86 ILE MG 1 94 PHE HA 2.900 . 4.000 3.405 3.405 3.405 . 0 0 "[ ]" 1
868 1 48 PHE QE 1 98 LEU QD 4.400 . 7.000 2.614 2.614 2.614 . 0 0 "[ ]" 1
869 1 3 CYS QB 1 71 CYS QB 3.400 . 5.000 3.002 3.002 3.002 . 0 0 "[ ]" 1
870 1 35 LEU QD 1 101 TYR H 3.650 . 5.500 3.387 3.387 3.387 . 0 0 "[ ]" 1
871 1 35 LEU QD 1 101 TYR HA 3.650 . 5.500 3.084 3.084 3.084 . 0 0 "[ ]" 1
872 1 51 ALA H 1 86 ILE MG 3.650 . 5.500 4.679 4.679 4.679 . 0 0 "[ ]" 1
873 1 45 LEU QD 1 69 LEU H 2.900 . 4.000 2.270 2.270 2.270 . 0 0 "[ ]" 1
874 1 52 VAL QG 1 58 ALA MB 3.150 . 4.500 1.804 1.804 1.804 . 0 0 "[ ]" 1
875 1 48 PHE H 1 84 ILE MG 4.150 . 6.500 4.465 4.465 4.465 . 0 0 "[ ]" 1
876 1 39 ASN HA 1 75 ALA MB 3.650 . 5.500 4.334 4.334 4.334 . 0 0 "[ ]" 1
877 1 35 LEU H 1 41 ARG HA 3.650 . 5.500 5.911 5.911 5.911 0.411 1 0 "[ ]" 1
878 1 51 ALA MB 1 86 ILE HB 2.500 . 3.200 1.811 1.811 1.811 . 0 0 "[ ]" 1
879 1 42 THR H 1 72 LEU QD 4.150 . 6.500 2.433 2.433 2.433 . 0 0 "[ ]" 1
880 1 86 ILE MG 1 94 PHE H 2.900 . 4.000 3.493 3.493 3.493 . 0 0 "[ ]" 1
881 1 45 LEU HG 1 68 LEU H 3.650 . 5.500 5.543 5.543 5.543 0.043 1 0 "[ ]" 1
882 1 51 ALA MB 1 94 PHE QE 3.900 . 6.000 1.954 1.954 1.954 . 0 0 "[ ]" 1
883 1 51 ALA MB 1 94 PHE QD 3.900 . 6.000 3.816 3.816 3.816 . 0 0 "[ ]" 1
884 1 86 ILE MG 1 94 PHE QD 3.900 . 6.000 2.913 2.913 2.913 . 0 0 "[ ]" 1
885 1 86 ILE MG 1 94 PHE QB 3.650 . 5.500 3.932 3.932 3.932 . 0 0 "[ ]" 1
886 1 86 ILE MG 1 93 GLU QB 2.900 . 4.000 2.776 2.776 2.776 . 0 0 "[ ]" 1
887 1 51 ALA MB 1 86 ILE MG 3.150 . 4.500 2.096 2.096 2.096 . 0 0 "[ ]" 1
888 1 51 ALA MB 1 86 ILE QG 3.650 . 5.500 1.903 1.903 1.903 . 0 0 "[ ]" 1
889 1 10 ILE MG 1 98 LEU QD 3.900 . 6.000 2.633 2.633 2.633 . 0 0 "[ ]" 1
890 1 51 ALA MB 1 86 ILE MD 3.900 . 6.000 3.272 3.272 3.272 . 0 0 "[ ]" 1
891 1 32 MET HA 1 100 PHE QE 3.650 . 5.500 2.759 2.759 2.759 . 0 0 "[ ]" 1
892 1 44 ASN H 1 101 TYR QE 3.650 . 5.500 3.945 3.945 3.945 . 0 0 "[ ]" 1
893 1 34 ILE MG 1 44 ASN QD 3.650 . 5.500 1.765 1.765 1.765 0.035 1 0 "[ ]" 1
894 1 35 LEU HA 1 44 ASN QD 3.400 . 5.000 3.576 3.576 3.576 . 0 0 "[ ]" 1
895 1 34 ILE MG 1 83 PRO HA 3.650 . 5.500 1.968 1.968 1.968 . 0 0 "[ ]" 1
896 1 44 ASN HA 1 84 ILE MG 3.650 . 5.500 2.969 2.969 2.969 . 0 0 "[ ]" 1
897 1 6 MET HA 1 64 ILE MG 2.900 . 4.000 3.234 3.234 3.234 . 0 0 "[ ]" 1
898 1 34 ILE MG 1 84 ILE HA 2.900 . 4.000 2.932 2.932 2.932 . 0 0 "[ ]" 1
899 1 6 MET QG 1 64 ILE MG 3.650 . 5.500 2.851 2.851 2.851 . 0 0 "[ ]" 1
900 1 6 MET ME 1 67 ASN QB 3.650 . 5.500 3.361 3.361 3.361 . 0 0 "[ ]" 1
901 1 6 MET QB 1 64 ILE MG 2.900 . 4.000 1.974 1.974 1.974 . 0 0 "[ ]" 1
902 1 44 ASN QB 1 84 ILE MG 4.150 . 6.500 2.617 2.617 2.617 . 0 0 "[ ]" 1
903 1 35 LEU QD 1 44 ASN QD 3.650 . 5.500 3.252 3.252 3.252 . 0 0 "[ ]" 1
904 1 35 LEU QD 1 101 TYR QB 4.150 . 6.500 1.845 1.845 1.845 . 0 0 "[ ]" 1
905 1 34 ILE MG 1 84 ILE MG 3.900 . 6.000 3.928 3.928 3.928 . 0 0 "[ ]" 1
906 1 61 ILE MG 1 91 TRP HZ3 3.650 . 5.500 3.837 3.837 3.837 . 0 0 "[ ]" 1
907 1 7 ILE MG 1 106 GLU HA 3.650 . 5.500 3.749 3.749 3.749 . 0 0 "[ ]" 1
908 1 7 ILE MG 1 106 GLU QG 4.150 . 6.500 3.431 3.431 3.431 . 0 0 "[ ]" 1
909 1 47 ALA MB 1 86 ILE MG 4.400 . 7.000 4.594 4.594 4.594 . 0 0 "[ ]" 1
910 1 61 ILE MG 1 98 LEU QD 3.900 . 6.000 2.567 2.567 2.567 . 0 0 "[ ]" 1
911 1 47 ALA MB 1 86 ILE MD 3.150 . 4.500 2.692 2.692 2.692 . 0 0 "[ ]" 1
912 1 11 ILE MG 1 103 LYS QE 4.150 . 6.500 3.506 3.506 3.506 . 0 0 "[ ]" 1
913 1 11 ILE MG 1 103 LYS QD 2.900 . 4.000 2.762 2.762 2.762 . 0 0 "[ ]" 1
914 1 36 MET ME 1 104 THR H 4.150 . 6.500 5.295 5.295 5.295 . 0 0 "[ ]" 1
915 1 35 LEU HA 1 41 ARG HA 3.400 . 5.000 3.344 3.344 3.344 . 0 0 "[ ]" 1
916 1 86 ILE MD 1 94 PHE QD 3.900 . 6.000 3.745 3.745 3.745 . 0 0 "[ ]" 1
917 1 48 PHE QD 1 86 ILE MD 3.900 . 6.000 2.900 2.900 2.900 . 0 0 "[ ]" 1
918 1 48 PHE QE 1 86 ILE MD 4.400 . 7.000 2.361 2.361 2.361 . 0 0 "[ ]" 1
919 1 86 ILE MD 1 94 PHE HA 4.150 . 6.500 3.746 3.746 3.746 . 0 0 "[ ]" 1
920 1 41 ARG HA 1 101 TYR QE 3.650 . 5.500 2.501 2.501 2.501 . 0 0 "[ ]" 1
921 1 10 ILE MD 1 65 LEU HA 3.650 . 5.500 4.132 4.132 4.132 . 0 0 "[ ]" 1
922 1 53 LYS QD 1 62 GLU QG 3.400 . 5.000 3.840 3.840 3.840 . 0 0 "[ ]" 1
923 1 84 ILE MD 1 97 LYS QD 3.650 . 5.500 4.029 4.029 4.029 . 0 0 "[ ]" 1
924 1 52 VAL QG 1 62 GLU QG 3.650 . 5.500 3.211 3.211 3.211 . 0 0 "[ ]" 1
925 1 61 ILE MD 1 91 TRP HH2 3.650 . 5.500 1.825 1.825 1.825 . 0 0 "[ ]" 1
926 1 61 ILE MD 1 91 TRP HZ3 3.650 . 5.500 3.733 3.733 3.733 . 0 0 "[ ]" 1
927 1 84 ILE MD 1 97 LYS QE 3.650 . 5.500 2.856 2.856 2.856 . 0 0 "[ ]" 1
928 1 35 LEU QD 1 84 ILE MD 3.150 . 4.500 2.395 2.395 2.395 . 0 0 "[ ]" 1
929 1 45 LEU QD 1 68 LEU HA 3.650 . 5.500 3.938 3.938 3.938 . 0 0 "[ ]" 1
930 1 34 ILE MD 1 81 ARG QD 3.650 . 5.500 3.764 3.764 3.764 . 0 0 "[ ]" 1
931 1 11 ILE MD 1 103 LYS HA 3.650 . 5.500 3.567 3.567 3.567 . 0 0 "[ ]" 1
932 1 11 ILE MD 1 103 LYS QD 2.900 . 4.000 2.301 2.301 2.301 . 0 0 "[ ]" 1
933 1 11 ILE MD 1 103 LYS QG 3.650 . 5.500 3.985 3.985 3.985 . 0 0 "[ ]" 1
934 1 87 LYS QB 1 93 GLU QB 2.250 . 2.700 2.102 2.102 2.102 . 0 0 "[ ]" 1
935 1 40 LEU QD 1 79 PRO QB 2.900 . 4.000 2.460 2.460 2.460 . 0 0 "[ ]" 1
936 1 27 LEU QD 1 100 PHE H 4.150 . 6.500 4.652 4.652 4.652 . 0 0 "[ ]" 1
937 1 27 LEU QD 1 97 LYS QE 4.150 . 6.500 2.996 2.996 2.996 . 0 0 "[ ]" 1
938 1 32 MET HA 1 100 PHE QD 4.150 . 6.500 3.072 3.072 3.072 . 0 0 "[ ]" 1
939 1 34 ILE HA 1 81 ARG QD 3.900 . 5.000 3.242 3.242 3.242 . 0 0 "[ ]" 1
940 1 35 LEU QB 1 100 PHE QD 3.650 . 5.500 2.650 2.650 2.650 . 0 0 "[ ]" 1
941 1 39 ASN QB 1 75 ALA MB 3.900 . 6.000 3.309 3.309 3.309 . 0 0 "[ ]" 1
942 1 42 THR HA 1 72 LEU QB 3.900 . 6.000 4.175 4.175 4.175 . 0 0 "[ ]" 1
943 1 47 ALA H 1 84 ILE MG 4.150 . 6.500 4.132 4.132 4.132 . 0 0 "[ ]" 1
944 1 48 PHE HA 1 94 PHE QD 3.650 . 5.500 3.810 3.810 3.810 . 0 0 "[ ]" 1
945 1 48 PHE HA 1 94 PHE QE 3.650 . 5.500 2.934 2.934 2.934 . 0 0 "[ ]" 1
946 1 52 VAL HB 1 94 PHE QE 4.150 . 6.500 3.102 3.102 3.102 . 0 0 "[ ]" 1
947 1 52 VAL HB 1 94 PHE QD 4.150 . 6.500 4.239 4.239 4.239 . 0 0 "[ ]" 1
948 1 55 LEU QD 1 91 TRP HE3 3.650 . 5.500 2.781 2.781 2.781 . 0 0 "[ ]" 1
949 1 55 LEU QD 1 91 TRP HZ3 3.650 . 5.500 2.812 2.812 2.812 . 0 0 "[ ]" 1
950 1 55 LEU QD 1 91 TRP QB 3.650 . 5.500 3.521 3.521 3.521 . 0 0 "[ ]" 1
951 1 55 LEU QD 1 89 GLY HA3 3.650 . 5.500 4.116 4.116 4.116 . 0 0 "[ ]" 1
952 1 55 LEU QD 1 89 GLY HA2 3.650 . 5.500 3.804 3.804 3.804 . 0 0 "[ ]" 1
953 1 52 VAL HB 1 58 ALA MB 4.150 . 6.500 3.888 3.888 3.888 . 0 0 "[ ]" 1
954 1 52 VAL HA 1 58 ALA MB 4.150 . 6.500 3.178 3.178 3.178 . 0 0 "[ ]" 1
955 1 58 ALA MB 1 91 TRP HZ3 4.150 . 6.500 4.114 4.114 4.114 . 0 0 "[ ]" 1
956 1 58 ALA MB 1 91 TRP HH2 2.500 . 3.200 2.453 2.453 2.453 . 0 0 "[ ]" 1
957 1 58 ALA MB 1 91 TRP HZ2 3.650 . 5.500 2.006 2.006 2.006 . 0 0 "[ ]" 1
958 1 39 ASN QD 1 76 THR H 3.900 . 6.000 3.852 3.852 3.852 . 0 0 "[ ]" 1
959 1 39 ASN HA 1 76 THR H 3.900 . 6.000 4.685 4.685 4.685 . 0 0 "[ ]" 1
960 1 48 PHE HZ 1 84 ILE MG 4.150 . 6.500 3.085 3.085 3.085 . 0 0 "[ ]" 1
961 1 48 PHE QE 1 84 ILE MG 4.400 . 7.000 3.175 3.175 3.175 . 0 0 "[ ]" 1
962 1 34 ILE HA 1 84 ILE MD 4.150 . 6.500 4.256 4.256 4.256 . 0 0 "[ ]" 1
963 1 48 PHE QE 1 84 ILE MD 4.400 . 7.000 5.030 5.030 5.030 . 0 0 "[ ]" 1
964 1 86 ILE MG 1 94 PHE QE 4.400 . 7.000 2.480 2.480 2.480 . 0 0 "[ ]" 1
965 1 51 ALA H 1 86 ILE MD 4.150 . 6.500 4.993 4.993 4.993 . 0 0 "[ ]" 1
966 1 86 ILE MD 1 94 PHE QE 4.400 . 7.000 3.900 3.900 3.900 . 0 0 "[ ]" 1
967 1 48 PHE HZ 1 86 ILE MD 3.650 . 5.500 3.585 3.585 3.585 . 0 0 "[ ]" 1
968 1 48 PHE QB 1 86 ILE MD 4.150 . 6.500 4.478 4.478 4.478 . 0 0 "[ ]" 1
969 1 47 ALA MB 1 86 ILE QG 3.650 . 5.500 2.242 2.242 2.242 . 0 0 "[ ]" 1
970 1 54 HIS QB 1 89 GLY H 3.900 . 6.000 4.676 4.676 4.676 . 0 0 "[ ]" 1
971 1 54 HIS QB 1 89 GLY HA3 3.900 . 6.000 2.924 2.924 2.924 . 0 0 "[ ]" 1
972 1 54 HIS QB 1 89 GLY HA2 3.900 . 6.000 3.698 3.698 3.698 . 0 0 "[ ]" 1
973 1 55 LEU QD 1 94 PHE H 3.650 . 5.500 3.839 3.839 3.839 . 0 0 "[ ]" 1
974 1 48 PHE HZ 1 97 LYS QB 3.900 . 6.000 2.493 2.493 2.493 . 0 0 "[ ]" 1
975 1 48 PHE QE 1 97 LYS QB 4.150 . 6.500 2.399 2.399 2.399 . 0 0 "[ ]" 1
976 1 48 PHE HZ 1 98 LEU HA 3.400 . 5.000 3.327 3.327 3.327 . 0 0 "[ ]" 1
977 1 48 PHE QE 1 98 LEU HA 3.650 . 5.500 3.471 3.471 3.471 . 0 0 "[ ]" 1
978 1 35 LEU QD 1 100 PHE QB 4.150 . 6.500 3.117 3.117 3.117 . 0 0 "[ ]" 1
979 1 48 PHE QE 1 101 TYR HA 4.150 . 6.500 4.817 4.817 4.817 . 0 0 "[ ]" 1
980 1 35 LEU QB 1 101 TYR HA 3.400 . 5.000 2.341 2.341 2.341 . 0 0 "[ ]" 1
981 1 35 LEU QD 1 102 LEU H 4.150 . 6.500 4.510 4.510 4.510 . 0 0 "[ ]" 1
982 1 11 ILE H 1 102 LEU QD 4.150 . 6.500 3.782 3.782 3.782 . 0 0 "[ ]" 1
983 1 36 MET ME 1 104 THR HB 4.150 . 6.500 3.207 3.207 3.207 . 0 0 "[ ]" 1
984 1 36 MET QG 1 104 THR HB 3.900 . 6.000 3.720 3.720 3.720 . 0 0 "[ ]" 1
985 1 36 MET HA 1 104 THR MG 3.650 . 5.500 2.218 2.218 2.218 . 0 0 "[ ]" 1
986 1 35 LEU QD 1 98 LEU QD 4.400 . 7.000 3.501 3.501 3.501 . 0 0 "[ ]" 1
987 1 36 MET QG 1 104 THR HA 3.900 . 6.000 5.102 5.102 5.102 . 0 0 "[ ]" 1
988 1 41 ARG QD 1 101 TYR QE 4.150 . 6.500 2.326 2.326 2.326 . 0 0 "[ ]" 1
989 1 41 ARG QD 1 48 PHE QE 4.150 . 6.500 4.269 4.269 4.269 . 0 0 "[ ]" 1
990 1 48 PHE QD 1 65 LEU QD 4.400 . 7.000 3.242 3.242 3.242 . 0 0 "[ ]" 1
991 1 7 ILE HA 1 68 LEU QD 4.150 . 6.500 2.960 2.960 2.960 . 0 0 "[ ]" 1
992 1 7 ILE H 1 68 LEU QD 4.150 . 6.500 3.501 3.501 3.501 . 0 0 "[ ]" 1
993 1 68 LEU QD 1 101 TYR QE 4.400 . 7.000 3.517 3.517 3.517 . 0 0 "[ ]" 1
994 1 6 MET QB 1 68 LEU QD 4.150 . 6.500 2.299 2.299 2.299 . 0 0 "[ ]" 1
995 1 35 LEU HA 1 101 TYR QD 4.150 . 6.500 2.814 2.814 2.814 . 0 0 "[ ]" 1
996 1 10 ILE MG 1 61 ILE QG 4.150 . 6.500 2.087 2.087 2.087 . 0 0 "[ ]" 1
997 1 10 ILE MD 1 61 ILE HA 4.150 . 6.500 3.778 3.778 3.778 . 0 0 "[ ]" 1
998 1 10 ILE MD 1 98 LEU QD 4.400 . 7.000 3.530 3.530 3.530 . 0 0 "[ ]" 1
999 1 27 LEU QB 1 97 LYS QB 3.900 . 6.000 4.024 4.024 4.024 . 0 0 "[ ]" 1
1000 1 34 ILE MG 1 41 ARG HA 4.150 . 6.500 4.735 4.735 4.735 . 0 0 "[ ]" 1
1001 1 39 ASN QD 1 75 ALA MB 4.150 . 6.500 4.684 4.684 4.684 . 0 0 "[ ]" 1
1002 1 51 ALA MB 1 85 HIS HA 4.150 . 6.500 5.362 5.362 5.362 . 0 0 "[ ]" 1
1003 1 61 ILE MD 1 98 LEU QD 4.400 . 7.000 3.737 3.737 3.737 . 0 0 "[ ]" 1
1004 1 41 ARG QB 1 72 LEU QD 4.150 . 6.500 2.495 2.495 2.495 . 0 0 "[ ]" 1
1005 1 41 ARG QB 1 73 PRO QD 3.900 . 6.000 3.865 3.865 3.865 . 0 0 "[ ]" 1
1006 1 39 ASN QD 1 76 THR MG 4.150 . 6.500 3.663 3.663 3.663 . 0 0 "[ ]" 1
1007 1 39 ASN HA 1 77 ALA H 3.900 . 6.000 5.765 5.765 5.765 . 0 0 "[ ]" 1
1008 1 14 LEU HG 1 61 ILE MG 4.150 . 6.500 5.229 5.229 5.229 . 0 0 "[ ]" 1
1009 1 44 ASN QB 1 101 TYR QE 4.150 . 6.500 2.193 2.193 2.193 . 0 0 "[ ]" 1
1010 1 36 MET QG 1 100 PHE QE 4.150 . 6.500 3.694 3.694 3.694 . 0 0 "[ ]" 1
1011 1 86 ILE MG 1 93 GLU QG 4.150 . 6.500 1.772 1.772 1.772 0.028 1 0 "[ ]" 1
1012 1 86 ILE QG 1 97 LYS QD 3.900 . 6.000 3.907 3.907 3.907 . 0 0 "[ ]" 1
1013 1 86 ILE MG 1 97 LYS QD 4.150 . 6.500 2.815 2.815 2.815 . 0 0 "[ ]" 1
1014 1 86 ILE QG 1 97 LYS QE 3.900 . 6.000 4.599 4.599 4.599 . 0 0 "[ ]" 1
1015 1 48 PHE QD 1 98 LEU QB 4.150 . 6.500 3.983 3.983 3.983 . 0 0 "[ ]" 1
1016 1 11 ILE MD 1 102 LEU H 4.150 . 6.500 4.302 4.302 4.302 . 0 0 "[ ]" 1
1017 1 37 GLU QB 1 81 ARG QD 3.900 . 6.000 4.356 4.356 4.356 . 0 0 "[ ]" 1
1018 1 31 ASP QB 1 84 ILE MD 4.150 . 6.500 1.923 1.923 1.923 . 0 0 "[ ]" 1
1019 1 25 ASN HA 1 89 GLY H 3.400 . 5.000 5.263 5.263 5.263 0.263 1 0 "[ ]" 1
1020 1 25 ASN HA 1 90 ASP H 3.400 . 5.000 4.892 4.892 4.892 . 0 0 "[ ]" 1
1021 1 42 THR MG 1 69 LEU QD 3.150 . 4.500 1.808 1.808 1.808 . 0 0 "[ ]" 1
1022 1 42 THR HB 1 69 LEU QD 4.150 . 6.500 3.628 3.628 3.628 . 0 0 "[ ]" 1
1023 1 42 THR HB 1 69 LEU QB 3.900 . 6.000 5.279 5.279 5.279 . 0 0 "[ ]" 1
1024 1 4 SER QB 1 106 GLU QG 3.900 . 6.000 2.968 2.968 2.968 . 0 0 "[ ]" 1
1025 1 4 SER HA 1 106 GLU QG 3.900 . 6.000 3.003 3.003 3.003 . 0 0 "[ ]" 1
1026 1 41 ARG QD 1 104 THR H 3.900 . 6.000 5.231 5.231 5.231 . 0 0 "[ ]" 1
1027 1 41 ARG QD 1 104 THR HB 3.900 . 6.000 5.458 5.458 5.458 . 0 0 "[ ]" 1
1028 1 41 ARG QD 1 104 THR MG 3.650 . 5.500 2.778 2.778 2.778 . 0 0 "[ ]" 1
1029 1 41 ARG QD 1 105 LEU H 3.900 . 6.000 3.913 3.913 3.913 . 0 0 "[ ]" 1
1030 1 41 ARG QD 1 101 TYR HA 3.400 . 5.000 3.214 3.214 3.214 . 0 0 "[ ]" 1
1031 1 40 LEU QD 1 80 THR H 4.150 . 6.500 2.219 2.219 2.219 . 0 0 "[ ]" 1
1032 1 11 ILE MD 1 99 THR MG 3.150 . 4.500 2.752 2.752 2.752 . 0 0 "[ ]" 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 78
_Distance_constraint_stats_list.Viol_count 30
_Distance_constraint_stats_list.Viol_total 1.826
_Distance_constraint_stats_list.Viol_max 0.152
_Distance_constraint_stats_list.Viol_rms 0.0398
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0234
_Distance_constraint_stats_list.Viol_average_violations_only 0.0609
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ASN 0.040 0.020 1 0 "[ ]"
1 5 ILE 0.019 0.019 1 0 "[ ]"
1 6 MET 0.020 0.020 1 0 "[ ]"
1 31 ASP 0.146 0.122 1 0 "[ ]"
1 32 MET 0.013 0.013 1 0 "[ ]"
1 34 ILE 0.000 0.000 . 0 "[ ]"
1 35 LEU 0.146 0.122 1 0 "[ ]"
1 36 MET 0.013 0.013 1 0 "[ ]"
1 37 GLU 0.000 0.000 . 0 "[ ]"
1 38 ARG 0.077 0.077 1 0 "[ ]"
1 41 ARG 0.077 0.077 1 0 "[ ]"
1 42 THR 0.027 0.027 1 0 "[ ]"
1 43 PRO 0.161 0.127 1 0 "[ ]"
1 44 ASN 0.000 0.000 . 0 "[ ]"
1 45 LEU 0.000 0.000 . 0 "[ ]"
1 46 LEU 0.105 0.078 1 0 "[ ]"
1 47 ALA 0.179 0.127 1 0 "[ ]"
1 49 VAL 0.000 0.000 . 0 "[ ]"
1 50 ARG 0.127 0.078 1 0 "[ ]"
1 51 ALA 0.017 0.017 1 0 "[ ]"
1 52 VAL 0.000 0.000 . 0 "[ ]"
1 53 LYS 0.048 0.048 1 0 "[ ]"
1 55 LEU 0.092 0.092 1 0 "[ ]"
1 58 ALA 0.182 0.092 1 0 "[ ]"
1 59 SER 0.089 0.089 1 0 "[ ]"
1 60 ALA 0.148 0.136 1 0 "[ ]"
1 61 ILE 0.090 0.090 1 0 "[ ]"
1 62 GLU 0.000 0.000 . 0 "[ ]"
1 63 SER 0.182 0.093 1 0 "[ ]"
1 64 ILE 0.148 0.136 1 0 "[ ]"
1 65 LEU 0.152 0.152 1 0 "[ ]"
1 66 LYS 0.000 0.000 . 0 "[ ]"
1 67 ASN 0.093 0.093 1 0 "[ ]"
1 68 LEU 0.000 0.000 . 0 "[ ]"
1 69 LEU 0.152 0.152 1 0 "[ ]"
1 71 CYS 0.000 0.000 . 0 "[ ]"
1 74 LEU 0.085 0.057 1 0 "[ ]"
1 77 ALA 0.085 0.057 1 0 "[ ]"
1 90 ASP 0.181 0.121 1 0 "[ ]"
1 91 TRP 0.000 0.000 . 0 "[ ]"
1 92 ASN 0.099 0.074 1 0 "[ ]"
1 93 GLU 0.000 0.000 . 0 "[ ]"
1 94 PHE 0.181 0.121 1 0 "[ ]"
1 95 ARG 0.000 0.000 . 0 "[ ]"
1 96 ARG 0.196 0.088 1 0 "[ ]"
1 97 LYS 0.000 0.000 . 0 "[ ]"
1 98 LEU 0.000 0.000 . 0 "[ ]"
1 99 THR 0.019 0.019 1 0 "[ ]"
1 100 PHE 0.096 0.088 1 0 "[ ]"
1 101 TYR 0.000 0.000 . 0 "[ ]"
1 102 LEU 0.075 0.057 1 0 "[ ]"
1 103 LYS 0.019 0.019 1 0 "[ ]"
1 104 THR 0.000 0.000 . 0 "[ ]"
1 105 LEU 0.000 0.000 . 0 "[ ]"
1 106 GLU 0.075 0.057 1 0 "[ ]"
1 107 ASN 0.000 0.000 . 0 "[ ]"
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 32 MET O 1 36 MET H 2.000 . 2.300 2.313 2.313 2.313 0.013 1 0 "[ ]" 2
2 1 32 MET O 1 36 MET N 2.850 2.400 3.300 3.098 3.098 3.098 . 0 0 "[ ]" 2
3 1 38 ARG O 1 41 ARG H 2.000 . 2.300 2.377 2.377 2.377 0.077 1 0 "[ ]" 2
4 1 38 ARG O 1 41 ARG N 2.850 2.400 3.300 3.297 3.297 3.297 . 0 0 "[ ]" 2
5 1 42 THR O 1 46 LEU H 2.000 . 2.300 2.327 2.327 2.327 0.027 1 0 "[ ]" 2
6 1 42 THR O 1 46 LEU N 2.850 2.400 3.300 3.063 3.063 3.063 . 0 0 "[ ]" 2
7 1 43 PRO O 1 47 ALA H 2.000 . 2.300 2.427 2.427 2.427 0.127 1 0 "[ ]" 2
8 1 43 PRO O 1 47 ALA N 2.850 2.400 3.300 3.334 3.334 3.334 0.034 1 0 "[ ]" 2
9 1 46 LEU O 1 50 ARG H 2.000 . 2.300 2.378 2.378 2.378 0.078 1 0 "[ ]" 2
10 1 46 LEU O 1 50 ARG N 2.850 2.400 3.300 3.235 3.235 3.235 . 0 0 "[ ]" 2
11 1 55 LEU O 1 58 ALA H 2.000 . 2.300 2.392 2.392 2.392 0.092 1 0 "[ ]" 2
12 1 55 LEU O 1 58 ALA N 2.850 2.400 3.300 3.121 3.121 3.121 . 0 0 "[ ]" 2
13 1 62 GLU O 1 66 LYS H 2.000 . 2.300 2.228 2.228 2.228 . 0 0 "[ ]" 2
14 1 62 GLU O 1 66 LYS N 2.850 2.400 3.300 3.112 3.112 3.112 . 0 0 "[ ]" 2
15 1 65 LEU O 1 69 LEU H 2.000 . 2.300 2.452 2.452 2.452 0.152 1 0 "[ ]" 2
16 1 65 LEU O 1 69 LEU N 2.850 2.400 3.300 3.084 3.084 3.084 . 0 0 "[ ]" 2
17 1 74 LEU O 1 77 ALA H 2.000 . 2.300 2.357 2.357 2.357 0.057 1 0 "[ ]" 2
18 1 74 LEU O 1 77 ALA N 2.850 2.400 3.300 3.328 3.328 3.328 0.028 1 0 "[ ]" 2
19 1 94 PHE O 1 98 LEU H 2.000 . 2.300 2.151 2.151 2.151 . 0 0 "[ ]" 2
20 1 94 PHE O 1 98 LEU N 2.850 2.400 3.300 2.821 2.821 2.821 . 0 0 "[ ]" 2
21 1 99 THR O 1 103 LYS H 2.000 . 2.300 2.319 2.319 2.319 0.019 1 0 "[ ]" 2
22 1 99 THR O 1 103 LYS N 2.850 2.400 3.300 3.219 3.219 3.219 . 0 0 "[ ]" 2
23 1 100 PHE O 1 104 THR H 2.000 . 2.300 2.237 2.237 2.237 . 0 0 "[ ]" 2
24 1 100 PHE O 1 104 THR N 2.850 2.400 3.300 3.187 3.187 3.187 . 0 0 "[ ]" 2
25 1 102 LEU O 1 106 GLU H 2.000 . 2.300 2.357 2.357 2.357 0.057 1 0 "[ ]" 2
26 1 102 LEU O 1 106 GLU N 2.850 2.400 3.300 3.318 3.318 3.318 0.018 1 0 "[ ]" 2
27 1 2 ASN O 1 5 ILE H 2.000 . 2.300 2.319 2.319 2.319 0.019 1 0 "[ ]" 2
28 1 2 ASN O 1 5 ILE N 2.850 2.400 3.300 2.989 2.989 2.989 . 0 0 "[ ]" 2
29 1 41 ARG O 1 44 ASN H 2.000 . 2.300 2.294 2.294 2.294 . 0 0 "[ ]" 2
30 1 41 ARG O 1 44 ASN N 2.850 2.400 3.300 2.994 2.994 2.994 . 0 0 "[ ]" 2
31 1 41 ARG O 1 45 LEU H 2.000 . 2.300 2.252 2.252 2.252 . 0 0 "[ ]" 2
32 1 41 ARG O 1 45 LEU N 2.850 2.400 3.300 3.097 3.097 3.097 . 0 0 "[ ]" 2
33 1 45 LEU O 1 49 VAL H 2.000 . 2.300 2.127 2.127 2.127 . 0 0 "[ ]" 2
34 1 45 LEU O 1 49 VAL N 2.850 2.400 3.300 2.930 2.930 2.930 . 0 0 "[ ]" 2
35 1 50 ARG O 1 53 LYS H 2.000 . 2.300 2.348 2.348 2.348 0.048 1 0 "[ ]" 2
36 1 50 ARG O 1 53 LYS N 2.850 2.400 3.300 3.187 3.187 3.187 . 0 0 "[ ]" 2
37 1 52 VAL O 1 55 LEU H 2.000 . 2.300 2.219 2.219 2.219 . 0 0 "[ ]" 2
38 1 52 VAL O 1 55 LEU N 2.850 2.400 3.300 3.044 3.044 3.044 . 0 0 "[ ]" 2
39 1 68 LEU O 1 71 CYS H 2.000 . 2.300 2.185 2.185 2.185 . 0 0 "[ ]" 2
40 1 68 LEU O 1 71 CYS N 2.850 2.400 3.300 2.977 2.977 2.977 . 0 0 "[ ]" 2
41 1 91 TRP O 1 95 ARG H 2.000 . 2.300 2.116 2.116 2.116 . 0 0 "[ ]" 2
42 1 91 TRP O 1 95 ARG N 2.850 2.400 3.300 2.640 2.640 2.640 . 0 0 "[ ]" 2
43 1 93 GLU O 1 97 LYS H 2.000 . 2.300 2.192 2.192 2.192 . 0 0 "[ ]" 2
44 1 93 GLU O 1 97 LYS N 2.850 2.400 3.300 3.119 3.119 3.119 . 0 0 "[ ]" 2
45 1 95 ARG O 1 99 THR H 2.000 . 2.300 2.173 2.173 2.173 . 0 0 "[ ]" 2
46 1 95 ARG O 1 99 THR N 2.850 2.400 3.300 3.006 3.006 3.006 . 0 0 "[ ]" 2
47 1 97 LYS O 1 101 TYR H 2.000 . 2.300 2.130 2.130 2.130 . 0 0 "[ ]" 2
48 1 97 LYS O 1 101 TYR N 2.850 2.400 3.300 2.851 2.851 2.851 . 0 0 "[ ]" 2
49 1 101 TYR O 1 105 LEU H 2.000 . 2.300 2.221 2.221 2.221 . 0 0 "[ ]" 2
50 1 101 TYR O 1 105 LEU N 2.850 2.400 3.300 3.120 3.120 3.120 . 0 0 "[ ]" 2
51 1 2 ASN O 1 6 MET H 2.000 . 2.300 2.320 2.320 2.320 0.020 1 0 "[ ]" 2
52 1 2 ASN O 1 6 MET N 2.850 2.400 3.300 3.231 3.231 3.231 . 0 0 "[ ]" 2
53 1 31 ASP O 1 35 LEU H 2.000 . 2.300 2.422 2.422 2.422 0.122 1 0 "[ ]" 2
54 1 31 ASP O 1 35 LEU N 2.850 2.400 3.300 3.324 3.324 3.324 0.024 1 0 "[ ]" 2
55 1 34 ILE O 1 37 GLU H 2.000 . 2.300 2.214 2.214 2.214 . 0 0 "[ ]" 2
56 1 34 ILE O 1 37 GLU N 2.850 2.400 3.300 2.915 2.915 2.915 . 0 0 "[ ]" 2
57 1 47 ALA O 1 51 ALA H 2.000 . 2.300 2.317 2.317 2.317 0.017 1 0 "[ ]" 2
58 1 47 ALA O 1 51 ALA N 2.850 2.400 3.300 3.253 3.253 3.253 . 0 0 "[ ]" 2
59 1 58 ALA O 1 61 ILE H 2.000 . 2.300 2.390 2.390 2.390 0.090 1 0 "[ ]" 2
60 1 58 ALA O 1 61 ILE N 2.850 2.400 3.300 3.056 3.056 3.056 . 0 0 "[ ]" 2
61 1 59 SER O 1 63 SER H 2.000 . 2.300 2.389 2.389 2.389 0.089 1 0 "[ ]" 2
62 1 59 SER O 1 63 SER N 2.850 2.400 3.300 3.229 3.229 3.229 . 0 0 "[ ]" 2
63 1 60 ALA O 1 64 ILE H 2.000 . 2.300 2.436 2.436 2.436 0.136 1 0 "[ ]" 2
64 1 60 ALA O 1 64 ILE N 2.850 2.400 3.300 3.312 3.312 3.312 0.012 1 0 "[ ]" 2
65 1 63 SER O 1 67 ASN H 2.000 . 2.300 2.393 2.393 2.393 0.093 1 0 "[ ]" 2
66 1 63 SER O 1 67 ASN N 2.850 2.400 3.300 3.257 3.257 3.257 . 0 0 "[ ]" 2
67 1 64 ILE O 1 68 LEU H 2.000 . 2.300 2.146 2.146 2.146 . 0 0 "[ ]" 2
68 1 64 ILE O 1 68 LEU N 2.850 2.400 3.300 2.817 2.817 2.817 . 0 0 "[ ]" 2
69 1 90 ASP O 1 94 PHE H 2.000 . 2.300 2.421 2.421 2.421 0.121 1 0 "[ ]" 2
70 1 90 ASP O 1 94 PHE N 2.850 2.400 3.300 3.360 3.360 3.360 0.060 1 0 "[ ]" 2
71 1 92 ASN O 1 96 ARG H 2.000 . 2.300 2.374 2.374 2.374 0.074 1 0 "[ ]" 2
72 1 92 ASN O 1 96 ARG N 2.850 2.400 3.300 3.325 3.325 3.325 0.025 1 0 "[ ]" 2
73 1 96 ARG O 1 100 PHE H 2.000 . 2.300 2.388 2.388 2.388 0.088 1 0 "[ ]" 2
74 1 96 ARG O 1 100 PHE N 2.850 2.400 3.300 3.308 3.308 3.308 0.008 1 0 "[ ]" 2
75 1 98 LEU O 1 102 LEU H 2.000 . 2.300 2.198 2.198 2.198 . 0 0 "[ ]" 2
76 1 98 LEU O 1 102 LEU N 2.850 2.400 3.300 2.917 2.917 2.917 . 0 0 "[ ]" 2
77 1 103 LYS O 1 107 ASN H 2.000 . 2.300 2.257 2.257 2.257 . 0 0 "[ ]" 2
78 1 103 LYS O 1 107 ASN N 2.850 2.400 3.300 3.079 3.079 3.079 . 0 0 "[ ]" 2
stop_
save_
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