NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
374473 |
1ef5   |
cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ef5
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 936
_Distance_constraint_stats_list.Viol_count 49
_Distance_constraint_stats_list.Viol_total 2.635
_Distance_constraint_stats_list.Viol_max 0.197
_Distance_constraint_stats_list.Viol_rms 0.0170
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0028
_Distance_constraint_stats_list.Viol_average_violations_only 0.0538
_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 16 GLU 0.000 0.000 . 0 "[ ]"
1 17 ASP 0.000 0.000 . 0 "[ ]"
1 18 THR 0.000 0.000 . 0 "[ ]"
1 19 CYS 0.000 0.000 . 0 "[ ]"
1 20 ILE 0.006 0.006 1 0 "[ ]"
1 21 ILE 0.000 0.000 . 0 "[ ]"
1 22 ARG 0.000 0.000 . 0 "[ ]"
1 23 ILE 0.047 0.038 1 0 "[ ]"
1 24 SER 0.037 0.037 1 0 "[ ]"
1 25 VAL 0.197 0.152 1 0 "[ ]"
1 26 GLU 0.000 0.000 . 0 "[ ]"
1 27 ASP 0.005 0.005 1 0 "[ ]"
1 30 GLY 0.000 0.000 . 0 "[ ]"
1 31 ASN 0.000 0.000 . 0 "[ ]"
1 32 MET 0.000 0.000 . 0 "[ ]"
1 33 TYR 0.000 0.000 . 0 "[ ]"
1 34 LYS 0.000 0.000 . 0 "[ ]"
1 35 SER 0.000 0.000 . 0 "[ ]"
1 36 ILE 0.000 0.000 . 0 "[ ]"
1 37 MET 0.006 0.006 1 0 "[ ]"
1 38 LEU 0.000 0.000 . 0 "[ ]"
1 39 THR 0.000 0.000 . 0 "[ ]"
1 40 SER 0.000 0.000 . 0 "[ ]"
1 41 GLN 0.027 0.020 1 0 "[ ]"
1 42 ASP 0.007 0.007 1 0 "[ ]"
1 43 LYS 0.088 0.088 1 0 "[ ]"
1 44 THR 0.193 0.181 1 0 "[ ]"
1 45 PRO 0.012 0.012 1 0 "[ ]"
1 46 ALA 0.010 0.010 1 0 "[ ]"
1 47 VAL 0.000 0.000 . 0 "[ ]"
1 48 ILE 0.010 0.010 1 0 "[ ]"
1 49 GLN 0.012 0.012 1 0 "[ ]"
1 50 ARG 0.000 0.000 . 0 "[ ]"
1 51 ALA 0.047 0.038 1 0 "[ ]"
1 52 MET 0.154 0.154 1 0 "[ ]"
1 53 SER 0.058 0.058 1 0 "[ ]"
1 54 LYS 0.245 0.124 1 0 "[ ]"
1 55 HIS 0.185 0.120 1 0 "[ ]"
1 56 ASN 0.339 0.124 1 0 "[ ]"
1 57 LEU 0.644 0.154 1 0 "[ ]"
1 58 GLU 0.223 0.071 1 0 "[ ]"
1 59 SER 0.000 0.000 . 0 "[ ]"
1 60 ASP 0.013 0.013 1 0 "[ ]"
1 61 PRO 0.083 0.046 1 0 "[ ]"
1 62 ALA 0.023 0.023 1 0 "[ ]"
1 63 GLU 0.000 0.000 . 0 "[ ]"
1 64 GLU 0.000 0.000 . 0 "[ ]"
1 65 TYR 0.017 0.017 1 0 "[ ]"
1 66 GLU 0.000 0.000 . 0 "[ ]"
1 67 LEU 0.000 0.000 . 0 "[ ]"
1 68 VAL 0.063 0.063 1 0 "[ ]"
1 69 GLN 0.000 0.000 . 0 "[ ]"
1 70 VAL 0.000 0.000 . 0 "[ ]"
1 71 ILE 0.008 0.006 1 0 "[ ]"
1 72 SER 0.000 0.000 . 0 "[ ]"
1 73 GLU 0.054 0.054 1 0 "[ ]"
1 74 ASP 0.054 0.054 1 0 "[ ]"
1 75 LYS 0.049 0.049 1 0 "[ ]"
1 76 GLU 0.020 0.018 1 0 "[ ]"
1 77 LEU 0.197 0.197 1 0 "[ ]"
1 78 VAL 0.000 0.000 . 0 "[ ]"
1 79 ILE 0.063 0.063 1 0 "[ ]"
1 80 PRO 0.046 0.046 1 0 "[ ]"
1 81 ASP 0.341 0.181 1 0 "[ ]"
1 82 SER 0.247 0.159 1 0 "[ ]"
1 83 ALA 0.000 0.000 . 0 "[ ]"
1 84 ASN 0.172 0.160 1 0 "[ ]"
1 85 VAL 0.428 0.197 1 0 "[ ]"
1 86 PHE 0.033 0.020 1 0 "[ ]"
1 87 TYR 0.000 0.000 . 0 "[ ]"
1 88 ALA 0.000 0.000 . 0 "[ ]"
1 89 MET 0.071 0.071 1 0 "[ ]"
1 90 ASN 0.014 0.014 1 0 "[ ]"
1 91 SER 0.028 0.014 1 0 "[ ]"
1 92 GLN 0.018 0.016 1 0 "[ ]"
1 93 VAL 0.080 0.058 1 0 "[ ]"
1 94 ASN 0.058 0.058 1 0 "[ ]"
1 95 PHE 0.000 0.000 . 0 "[ ]"
1 96 ASP 0.011 0.011 1 0 "[ ]"
1 97 PHE 0.011 0.011 1 0 "[ ]"
1 98 ILE 0.037 0.037 1 0 "[ ]"
1 99 LEU 0.045 0.036 1 0 "[ ]"
1 100 ARG 0.000 0.000 . 0 "[ ]"
1 101 LYS 0.022 0.017 1 0 "[ ]"
1 102 LYS 0.072 0.047 1 0 "[ ]"
1 103 ASN 0.072 0.047 1 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 17 ASP H 1 18 THR H 3.000 . 3.600 3.490 3.490 3.490 . 0 0 "[ ]" 1
2 1 16 GLU HA 1 17 ASP H 3.000 . 3.600 2.479 2.479 2.479 . 0 0 "[ ]" 1
3 1 16 GLU QG 1 17 ASP H 5.000 . 5.800 2.240 2.240 2.240 . 0 0 "[ ]" 1
4 1 16 GLU QB 1 17 ASP H 5.000 . 5.800 3.092 3.092 3.092 . 0 0 "[ ]" 1
5 1 17 ASP H 1 18 THR MG 5.500 . 6.300 4.767 4.767 4.767 . 0 0 "[ ]" 1
6 1 18 THR H 1 19 CYS H 5.000 . 5.800 4.202 4.202 4.202 . 0 0 "[ ]" 1
7 1 17 ASP HA 1 18 THR H 2.500 . 2.900 2.394 2.394 2.394 . 0 0 "[ ]" 1
8 1 16 GLU HA 1 18 THR H 5.000 . 5.800 4.786 4.786 4.786 . 0 0 "[ ]" 1
9 1 18 THR H 1 18 THR HB 4.000 . 4.600 3.700 3.700 3.700 . 0 0 "[ ]" 1
10 1 17 ASP QB 1 18 THR H 4.000 . 4.600 3.859 3.859 3.859 . 0 0 "[ ]" 1
11 1 16 GLU QG 1 18 THR H 5.000 . 5.800 5.224 5.224 5.224 . 0 0 "[ ]" 1
12 1 19 CYS H 1 20 ILE H 5.000 . 5.800 4.327 4.327 4.327 . 0 0 "[ ]" 1
13 1 18 THR HA 1 19 CYS H 2.500 . 2.900 2.230 2.230 2.230 . 0 0 "[ ]" 1
14 1 18 THR HB 1 19 CYS H 3.000 . 3.600 3.443 3.443 3.443 . 0 0 "[ ]" 1
15 1 19 CYS H 1 38 LEU QB 5.000 . 5.800 5.026 5.026 5.026 . 0 0 "[ ]" 1
16 1 18 THR MG 1 19 CYS H 4.500 . 5.100 3.479 3.479 3.479 . 0 0 "[ ]" 1
17 1 20 ILE H 1 21 ILE H 5.000 . 5.800 4.512 4.512 4.512 . 0 0 "[ ]" 1
18 1 20 ILE H 1 95 PHE H 5.000 . 5.800 3.604 3.604 3.604 . 0 0 "[ ]" 1
19 1 19 CYS HA 1 20 ILE H 2.500 . 2.900 2.266 2.266 2.266 . 0 0 "[ ]" 1
20 1 19 CYS QB 1 20 ILE H 4.000 . 4.600 3.139 3.139 3.139 . 0 0 "[ ]" 1
21 1 20 ILE H 1 20 ILE HB 3.000 . 3.600 2.669 2.669 2.669 . 0 0 "[ ]" 1
22 1 21 ILE H 1 36 ILE H 4.000 . 4.600 3.606 3.606 3.606 . 0 0 "[ ]" 1
23 1 20 ILE HA 1 21 ILE H 2.500 . 2.900 2.210 2.210 2.210 . 0 0 "[ ]" 1
24 1 21 ILE H 1 37 MET QB 5.000 . 5.800 4.190 4.190 4.190 . 0 0 "[ ]" 1
25 1 21 ILE H 1 36 ILE HB 5.000 . 5.800 5.485 5.485 5.485 . 0 0 "[ ]" 1
26 1 21 ILE H 1 21 ILE QG 4.000 . 4.600 1.840 1.840 1.840 . 0 0 "[ ]" 1
27 1 21 ILE H 1 21 ILE MD 5.500 . 6.300 3.584 3.584 3.584 . 0 0 "[ ]" 1
28 1 22 ARG H 1 97 PHE H 5.000 . 5.800 3.165 3.165 3.165 . 0 0 "[ ]" 1
29 1 22 ARG H 1 97 PHE QE 5.000 . 7.300 4.735 4.735 4.735 . 0 0 "[ ]" 1
30 1 22 ARG H 1 96 ASP HA 3.000 . 3.600 2.645 2.645 2.645 . 0 0 "[ ]" 1
31 1 22 ARG H 1 95 PHE HB3 5.000 . 5.800 3.996 3.996 3.996 . 0 0 "[ ]" 1
32 1 22 ARG H 1 95 PHE HB2 5.000 . 5.800 4.557 4.557 4.557 . 0 0 "[ ]" 1
33 1 22 ARG H 1 96 ASP HB2 5.000 . 5.800 4.943 4.943 4.943 . 0 0 "[ ]" 1
34 1 22 ARG H 1 22 ARG HB3 4.000 . 4.600 2.358 2.358 2.358 . 0 0 "[ ]" 1
35 1 21 ILE QG 1 22 ARG H 5.000 . 5.800 4.322 4.322 4.322 . 0 0 "[ ]" 1
36 1 22 ARG H 1 23 ILE QG 5.000 . 5.800 4.283 4.283 4.283 . 0 0 "[ ]" 1
37 1 21 ILE MG 1 22 ARG H 5.500 . 6.300 4.055 4.055 4.055 . 0 0 "[ ]" 1
38 1 21 ILE MD 1 22 ARG H 5.500 . 6.300 4.657 4.657 4.657 . 0 0 "[ ]" 1
39 1 23 ILE H 1 34 LYS H 5.000 . 5.800 2.219 2.219 2.219 . 0 0 "[ ]" 1
40 1 22 ARG HA 1 23 ILE H 3.000 . 3.600 2.325 2.325 2.325 . 0 0 "[ ]" 1
41 1 23 ILE H 1 34 LYS QE 5.000 . 5.800 5.247 5.247 5.247 . 0 0 "[ ]" 1
42 1 22 ARG HB3 1 23 ILE H 5.000 . 5.800 4.053 4.053 4.053 . 0 0 "[ ]" 1
43 1 23 ILE H 1 23 ILE HB 4.000 . 4.600 2.715 2.715 2.715 . 0 0 "[ ]" 1
44 1 22 ARG HB2 1 23 ILE H 5.000 . 5.800 4.055 4.055 4.055 . 0 0 "[ ]" 1
45 1 23 ILE H 1 23 ILE MD 5.500 . 6.300 2.617 2.617 2.617 . 0 0 "[ ]" 1
46 1 24 SER H 1 97 PHE H 5.000 . 5.800 4.969 4.969 4.969 . 0 0 "[ ]" 1
47 1 24 SER H 1 99 LEU H 5.000 . 5.800 3.077 3.077 3.077 . 0 0 "[ ]" 1
48 1 23 ILE HA 1 24 SER H 3.000 . 3.600 2.223 2.223 2.223 . 0 0 "[ ]" 1
49 1 24 SER H 1 98 ILE HA 4.000 . 4.600 2.817 2.817 2.817 . 0 0 "[ ]" 1
50 1 24 SER H 1 97 PHE HB3 5.000 . 5.800 5.370 5.370 5.370 . 0 0 "[ ]" 1
51 1 24 SER H 1 98 ILE HB 5.000 . 5.800 5.837 5.837 5.837 0.037 1 0 "[ ]" 1
52 1 24 SER H 1 98 ILE MD 5.500 . 6.300 3.210 3.210 3.210 . 0 0 "[ ]" 1
53 1 23 ILE MD 1 24 SER H 5.500 . 6.300 4.998 4.998 4.998 . 0 0 "[ ]" 1
54 1 24 SER H 1 99 LEU QD 5.500 . 6.300 2.080 2.080 2.080 . 0 0 "[ ]" 1
55 1 24 SER HA 1 25 VAL H 3.000 . 3.600 2.267 2.267 2.267 . 0 0 "[ ]" 1
56 1 24 SER QB 1 25 VAL H 4.000 . 4.600 3.775 3.775 3.775 . 0 0 "[ ]" 1
57 1 25 VAL H 1 25 VAL HB 4.000 . 4.600 3.630 3.630 3.630 . 0 0 "[ ]" 1
58 1 26 GLU H 1 100 ARG HA 5.000 . 5.800 3.984 3.984 3.984 . 0 0 "[ ]" 1
59 1 25 VAL HA 1 26 GLU H 2.500 . 2.900 2.704 2.704 2.704 . 0 0 "[ ]" 1
60 1 26 GLU H 1 26 GLU HA 3.000 . 3.600 2.957 2.957 2.957 . 0 0 "[ ]" 1
61 1 25 VAL HB 1 26 GLU H 4.000 . 4.600 4.491 4.491 4.491 . 0 0 "[ ]" 1
62 1 25 VAL MG2 1 26 GLU H 5.500 . 6.300 3.681 3.681 3.681 . 0 0 "[ ]" 1
63 1 25 VAL MG1 1 26 GLU H 5.500 . 6.300 4.307 4.307 4.307 . 0 0 "[ ]" 1
64 1 27 ASP H 1 27 ASP HA 2.500 . 2.900 2.376 2.376 2.376 . 0 0 "[ ]" 1
65 1 27 ASP H 1 27 ASP QB 3.000 . 3.600 2.704 2.704 2.704 . 0 0 "[ ]" 1
66 1 26 GLU HA 1 27 ASP H 2.500 . 2.900 2.592 2.592 2.592 . 0 0 "[ ]" 1
67 1 26 GLU QB 1 27 ASP H 4.000 . 4.600 3.935 3.935 3.935 . 0 0 "[ ]" 1
68 1 30 GLY QA 1 31 ASN H 5.000 . 5.800 2.672 2.672 2.672 . 0 0 "[ ]" 1
69 1 32 MET H 1 32 MET HB2 3.000 . 3.600 3.561 3.561 3.561 . 0 0 "[ ]" 1
70 1 31 ASN HA 1 32 MET H 4.000 . 4.600 2.215 2.215 2.215 . 0 0 "[ ]" 1
71 1 32 MET HB3 1 33 TYR H 5.000 . 5.800 4.136 4.136 4.136 . 0 0 "[ ]" 1
72 1 32 MET HB2 1 33 TYR H 3.000 . 3.600 3.133 3.133 3.133 . 0 0 "[ ]" 1
73 1 24 SER QB 1 33 TYR H 5.000 . 5.800 2.515 2.515 2.515 . 0 0 "[ ]" 1
74 1 34 LYS H 1 34 LYS QD 5.000 . 5.800 4.411 4.411 4.411 . 0 0 "[ ]" 1
75 1 34 LYS H 1 34 LYS QE 4.000 . 4.600 4.174 4.174 4.174 . 0 0 "[ ]" 1
76 1 24 SER HA 1 34 LYS H 5.000 . 5.800 3.748 3.748 3.748 . 0 0 "[ ]" 1
77 1 35 SER H 1 35 SER QB 3.000 . 3.600 2.929 2.929 2.929 . 0 0 "[ ]" 1
78 1 34 LYS HA 1 35 SER H 4.000 . 4.600 2.445 2.445 2.445 . 0 0 "[ ]" 1
79 1 35 SER HA 1 36 ILE H 3.000 . 3.600 2.778 2.778 2.778 . 0 0 "[ ]" 1
80 1 22 ARG HA 1 36 ILE H 5.000 . 5.800 3.878 3.878 3.878 . 0 0 "[ ]" 1
81 1 20 ILE HA 1 36 ILE H 5.000 . 5.800 4.984 4.984 4.984 . 0 0 "[ ]" 1
82 1 37 MET H 1 38 LEU H 5.000 . 5.800 3.586 3.586 3.586 . 0 0 "[ ]" 1
83 1 37 MET H 1 37 MET HA 3.000 . 3.600 2.949 2.949 2.949 . 0 0 "[ ]" 1
84 1 37 MET H 1 37 MET QB 3.000 . 3.600 2.446 2.446 2.446 . 0 0 "[ ]" 1
85 1 36 ILE HA 1 37 MET H 2.500 . 2.900 2.224 2.224 2.224 . 0 0 "[ ]" 1
86 1 20 ILE HB 1 37 MET H 4.000 . 4.600 4.606 4.606 4.606 0.006 1 0 "[ ]" 1
87 1 38 LEU H 1 39 THR H 5.000 . 5.800 4.698 4.698 4.698 . 0 0 "[ ]" 1
88 1 37 MET HA 1 38 LEU H 5.000 . 5.800 2.641 2.641 2.641 . 0 0 "[ ]" 1
89 1 20 ILE HA 1 38 LEU H 4.000 . 4.600 4.222 4.222 4.222 . 0 0 "[ ]" 1
90 1 37 MET QB 1 38 LEU H 4.000 . 4.600 4.064 4.064 4.064 . 0 0 "[ ]" 1
91 1 38 LEU HA 1 39 THR H 2.500 . 2.900 2.482 2.482 2.482 . 0 0 "[ ]" 1
92 1 38 LEU QB 1 39 THR H 5.000 . 5.800 2.469 2.469 2.469 . 0 0 "[ ]" 1
93 1 39 THR H 1 39 THR MG 4.500 . 5.100 3.711 3.711 3.711 . 0 0 "[ ]" 1
94 1 40 SER H 1 41 GLN H 5.000 . 5.800 2.428 2.428 2.428 . 0 0 "[ ]" 1
95 1 39 THR HA 1 40 SER H 4.000 . 4.600 3.581 3.581 3.581 . 0 0 "[ ]" 1
96 1 39 THR HB 1 40 SER H 4.000 . 4.600 2.101 2.101 2.101 . 0 0 "[ ]" 1
97 1 17 ASP QB 1 40 SER H 5.000 . 5.800 5.221 5.221 5.221 . 0 0 "[ ]" 1
98 1 39 THR MG 1 40 SER H 5.500 . 6.300 2.565 2.565 2.565 . 0 0 "[ ]" 1
99 1 41 GLN H 1 42 ASP H 3.000 . 3.600 3.607 3.607 3.607 0.007 1 0 "[ ]" 1
100 1 41 GLN H 1 87 TYR QD 5.000 . 7.300 5.245 5.245 5.245 . 0 0 "[ ]" 1
101 1 40 SER HA 1 41 GLN H 5.000 . 5.800 2.678 2.678 2.678 . 0 0 "[ ]" 1
102 1 41 GLN H 1 42 ASP QB 5.000 . 5.800 3.130 3.130 3.130 . 0 0 "[ ]" 1
103 1 40 SER QB 1 41 GLN H 5.000 . 5.800 4.006 4.006 4.006 . 0 0 "[ ]" 1
104 1 41 GLN H 1 41 GLN QG 4.000 . 4.600 4.142 4.142 4.142 . 0 0 "[ ]" 1
105 1 41 GLN H 1 41 GLN QB 3.000 . 3.600 2.880 2.880 2.880 . 0 0 "[ ]" 1
106 1 42 ASP H 1 43 LYS H 5.000 . 5.800 4.128 4.128 4.128 . 0 0 "[ ]" 1
107 1 41 GLN HA 1 42 ASP H 5.000 . 5.800 2.248 2.248 2.248 . 0 0 "[ ]" 1
108 1 42 ASP H 1 42 ASP QB 3.000 . 3.600 2.946 2.946 2.946 . 0 0 "[ ]" 1
109 1 41 GLN QB 1 42 ASP H 5.000 . 5.800 3.866 3.866 3.866 . 0 0 "[ ]" 1
110 1 43 LYS H 1 44 THR H 5.000 . 5.800 2.916 2.916 2.916 . 0 0 "[ ]" 1
111 1 43 LYS H 1 46 ALA H 5.000 . 5.800 4.530 4.530 4.530 . 0 0 "[ ]" 1
112 1 42 ASP HA 1 43 LYS H 2.500 . 2.900 2.282 2.282 2.282 . 0 0 "[ ]" 1
113 1 43 LYS H 1 44 THR HA 5.000 . 5.800 5.050 5.050 5.050 . 0 0 "[ ]" 1
114 1 42 ASP QB 1 43 LYS H 5.000 . 5.800 3.388 3.388 3.388 . 0 0 "[ ]" 1
115 1 43 LYS H 1 43 LYS QB 3.000 . 3.600 2.835 2.835 2.835 . 0 0 "[ ]" 1
116 1 43 LYS H 1 47 VAL MG2 5.500 . 6.300 2.862 2.862 2.862 . 0 0 "[ ]" 1
117 1 44 THR H 1 85 VAL H 5.000 . 5.800 5.435 5.435 5.435 . 0 0 "[ ]" 1
118 1 43 LYS HA 1 44 THR H 3.000 . 3.600 3.552 3.552 3.552 . 0 0 "[ ]" 1
119 1 44 THR H 1 84 ASN HA 4.000 . 4.600 4.612 4.612 4.612 0.012 1 0 "[ ]" 1
120 1 44 THR H 1 44 THR HB 3.000 . 3.600 3.488 3.488 3.488 . 0 0 "[ ]" 1
121 1 44 THR H 1 44 THR HA 3.000 . 3.600 2.731 2.731 2.731 . 0 0 "[ ]" 1
122 1 43 LYS QB 1 44 THR H 4.000 . 4.600 1.890 1.890 1.890 . 0 0 "[ ]" 1
123 1 43 LYS QG 1 44 THR H 4.000 . 4.600 2.501 2.501 2.501 . 0 0 "[ ]" 1
124 1 43 LYS QD 1 44 THR H 4.000 . 4.600 3.829 3.829 3.829 . 0 0 "[ ]" 1
125 1 46 ALA H 1 47 VAL H 3.000 . 3.600 2.802 2.802 2.802 . 0 0 "[ ]" 1
126 1 44 THR HB 1 46 ALA H 5.000 . 5.800 3.090 3.090 3.090 . 0 0 "[ ]" 1
127 1 46 ALA H 1 46 ALA HA 3.000 . 3.600 2.851 2.851 2.851 . 0 0 "[ ]" 1
128 1 44 THR HA 1 46 ALA H 4.000 . 4.600 4.252 4.252 4.252 . 0 0 "[ ]" 1
129 1 45 PRO QD 1 46 ALA H 5.000 . 5.800 3.647 3.647 3.647 . 0 0 "[ ]" 1
130 1 46 ALA H 1 47 VAL HB 4.000 . 4.600 4.456 4.456 4.456 . 0 0 "[ ]" 1
131 1 45 PRO QG 1 46 ALA H 4.000 . 4.600 3.740 3.740 3.740 . 0 0 "[ ]" 1
132 1 46 ALA H 1 47 VAL MG2 5.500 . 6.300 5.304 5.304 5.304 . 0 0 "[ ]" 1
133 1 46 ALA H 1 47 VAL MG1 5.500 . 6.300 5.270 5.270 5.270 . 0 0 "[ ]" 1
134 1 47 VAL H 1 48 ILE H 4.000 . 4.600 2.534 2.534 2.534 . 0 0 "[ ]" 1
135 1 47 VAL H 1 49 GLN H 5.000 . 5.800 4.090 4.090 4.090 . 0 0 "[ ]" 1
136 1 46 ALA HA 1 47 VAL H 4.000 . 4.600 3.587 3.587 3.587 . 0 0 "[ ]" 1
137 1 44 THR HA 1 47 VAL H 5.000 . 5.800 4.827 4.827 4.827 . 0 0 "[ ]" 1
138 1 47 VAL H 1 47 VAL HA 3.000 . 3.600 2.891 2.891 2.891 . 0 0 "[ ]" 1
139 1 47 VAL H 1 47 VAL HB 3.000 . 3.600 1.879 1.879 1.879 . 0 0 "[ ]" 1
140 1 47 VAL H 1 48 ILE HB 5.000 . 5.800 4.534 4.534 4.534 . 0 0 "[ ]" 1
141 1 46 ALA MB 1 47 VAL H 4.500 . 5.100 2.145 2.145 2.145 . 0 0 "[ ]" 1
142 1 47 VAL H 1 47 VAL MG2 4.500 . 5.100 3.032 3.032 3.032 . 0 0 "[ ]" 1
143 1 48 ILE H 1 49 GLN H 4.000 . 4.600 2.732 2.732 2.732 . 0 0 "[ ]" 1
144 1 46 ALA H 1 48 ILE H 5.000 . 5.800 3.857 3.857 3.857 . 0 0 "[ ]" 1
145 1 46 ALA HA 1 48 ILE H 4.000 . 4.600 4.610 4.610 4.610 0.010 1 0 "[ ]" 1
146 1 44 THR HA 1 48 ILE H 5.000 . 5.800 4.771 4.771 4.771 . 0 0 "[ ]" 1
147 1 47 VAL HB 1 48 ILE H 4.000 . 4.600 3.031 3.031 3.031 . 0 0 "[ ]" 1
148 1 48 ILE H 1 48 ILE HB 3.000 . 3.600 2.359 2.359 2.359 . 0 0 "[ ]" 1
149 1 47 VAL MG2 1 48 ILE H 5.500 . 6.300 4.183 4.183 4.183 . 0 0 "[ ]" 1
150 1 48 ILE H 1 48 ILE MD 5.500 . 6.300 3.266 3.266 3.266 . 0 0 "[ ]" 1
151 1 47 VAL MG1 1 48 ILE H 5.500 . 6.300 2.525 2.525 2.525 . 0 0 "[ ]" 1
152 1 49 GLN H 1 51 ALA H 5.000 . 5.800 4.073 4.073 4.073 . 0 0 "[ ]" 1
153 1 46 ALA HA 1 49 GLN H 4.000 . 4.600 3.956 3.956 3.956 . 0 0 "[ ]" 1
154 1 49 GLN H 1 49 GLN HA 3.000 . 3.600 2.937 2.937 2.937 . 0 0 "[ ]" 1
155 1 48 ILE HA 1 49 GLN H 5.000 . 5.800 3.520 3.520 3.520 . 0 0 "[ ]" 1
156 1 49 GLN H 1 49 GLN HB2 2.500 . 2.900 2.509 2.509 2.509 . 0 0 "[ ]" 1
157 1 48 ILE HB 1 49 GLN H 4.000 . 4.600 2.804 2.804 2.804 . 0 0 "[ ]" 1
158 1 49 GLN H 1 50 ARG QG 5.000 . 5.800 3.608 3.608 3.608 . 0 0 "[ ]" 1
159 1 49 GLN H 1 51 ALA MB 5.500 . 6.300 5.116 5.116 5.116 . 0 0 "[ ]" 1
160 1 48 ILE MG 1 49 GLN H 5.500 . 6.300 3.553 3.553 3.553 . 0 0 "[ ]" 1
161 1 48 ILE MD 1 49 GLN H 5.500 . 6.300 4.624 4.624 4.624 . 0 0 "[ ]" 1
162 1 46 ALA HA 1 50 ARG H 5.000 . 5.800 4.851 4.851 4.851 . 0 0 "[ ]" 1
163 1 49 GLN HA 1 50 ARG H 5.000 . 5.800 3.547 3.547 3.547 . 0 0 "[ ]" 1
164 1 47 VAL HA 1 50 ARG H 4.000 . 4.600 3.098 3.098 3.098 . 0 0 "[ ]" 1
165 1 49 GLN QG 1 50 ARG H 5.000 . 5.800 3.780 3.780 3.780 . 0 0 "[ ]" 1
166 1 50 ARG H 1 50 ARG QB 3.000 . 3.600 2.472 2.472 2.472 . 0 0 "[ ]" 1
167 1 50 ARG H 1 50 ARG QG 4.000 . 4.600 2.044 2.044 2.044 . 0 0 "[ ]" 1
168 1 50 ARG H 1 51 ALA MB 5.500 . 6.300 4.340 4.340 4.340 . 0 0 "[ ]" 1
169 1 50 ARG H 1 51 ALA H 4.000 . 4.600 2.727 2.727 2.727 . 0 0 "[ ]" 1
170 1 47 VAL HA 1 51 ALA H 5.000 . 5.800 4.406 4.406 4.406 . 0 0 "[ ]" 1
171 1 50 ARG QB 1 51 ALA H 4.000 . 4.600 2.614 2.614 2.614 . 0 0 "[ ]" 1
172 1 50 ARG QG 1 51 ALA H 5.000 . 5.800 3.875 3.875 3.875 . 0 0 "[ ]" 1
173 1 47 VAL MG2 1 51 ALA H 5.500 . 6.300 5.142 5.142 5.142 . 0 0 "[ ]" 1
174 1 47 VAL MG1 1 51 ALA H 5.500 . 6.300 4.176 4.176 4.176 . 0 0 "[ ]" 1
175 1 52 MET H 1 53 SER H 4.000 . 4.600 2.837 2.837 2.837 . 0 0 "[ ]" 1
176 1 51 ALA HA 1 52 MET H 5.000 . 5.800 3.550 3.550 3.550 . 0 0 "[ ]" 1
177 1 52 MET H 1 52 MET QG 4.000 . 4.600 2.421 2.421 2.421 . 0 0 "[ ]" 1
178 1 51 ALA MB 1 52 MET H 5.500 . 6.300 2.634 2.634 2.634 . 0 0 "[ ]" 1
179 1 53 SER H 1 53 SER HA 3.000 . 3.600 2.772 2.772 2.772 . 0 0 "[ ]" 1
180 1 53 SER H 1 53 SER QB 2.500 . 2.900 1.971 1.971 1.971 . 0 0 "[ ]" 1
181 1 52 MET HA 1 53 SER H 5.000 . 5.800 3.581 3.581 3.581 . 0 0 "[ ]" 1
182 1 52 MET QG 1 53 SER H 5.000 . 5.800 3.767 3.767 3.767 . 0 0 "[ ]" 1
183 1 53 SER H 1 54 LYS HB2 5.000 . 5.800 5.352 5.352 5.352 . 0 0 "[ ]" 1
184 1 49 GLN HA 1 54 LYS H 4.000 . 4.600 4.432 4.432 4.432 . 0 0 "[ ]" 1
185 1 53 SER HA 1 54 LYS H 3.000 . 3.600 3.532 3.532 3.532 . 0 0 "[ ]" 1
186 1 55 HIS H 1 56 ASN H 5.000 . 5.800 3.450 3.450 3.450 . 0 0 "[ ]" 1
187 1 54 LYS H 1 55 HIS H 5.000 . 5.800 3.300 3.300 3.300 . 0 0 "[ ]" 1
188 1 55 HIS H 1 55 HIS HD2 5.000 . 5.800 5.088 5.088 5.088 . 0 0 "[ ]" 1
189 1 55 HIS H 1 56 ASN HA 5.000 . 5.800 5.182 5.182 5.182 . 0 0 "[ ]" 1
190 1 54 LYS HA 1 55 HIS H 5.000 . 5.800 3.534 3.534 3.534 . 0 0 "[ ]" 1
191 1 55 HIS H 1 55 HIS HB3 4.000 . 4.600 3.278 3.278 3.278 . 0 0 "[ ]" 1
192 1 54 LYS QG 1 55 HIS H 5.000 . 5.800 2.184 2.184 2.184 . 0 0 "[ ]" 1
193 1 56 ASN H 1 57 LEU H 4.000 . 4.600 2.353 2.353 2.353 . 0 0 "[ ]" 1
194 1 56 ASN H 1 56 ASN HA 2.500 . 2.900 2.743 2.743 2.743 . 0 0 "[ ]" 1
195 1 55 HIS HA 1 56 ASN H 4.000 . 4.600 3.538 3.538 3.538 . 0 0 "[ ]" 1
196 1 55 HIS HB2 1 56 ASN H 5.000 . 5.800 2.761 2.761 2.761 . 0 0 "[ ]" 1
197 1 56 ASN H 1 56 ASN HB2 4.000 . 4.600 4.084 4.084 4.084 . 0 0 "[ ]" 1
198 1 56 ASN H 1 56 ASN HB3 4.000 . 4.600 3.782 3.782 3.782 . 0 0 "[ ]" 1
199 1 55 HIS HB3 1 56 ASN H 5.000 . 5.800 1.780 1.780 1.780 0.020 1 0 "[ ]" 1
200 1 56 ASN H 1 57 LEU HB2 5.000 . 5.800 5.147 5.147 5.147 . 0 0 "[ ]" 1
201 1 54 LYS QG 1 56 ASN H 5.000 . 5.800 5.080 5.080 5.080 . 0 0 "[ ]" 1
202 1 56 ASN H 1 57 LEU QD 5.500 . 6.300 1.708 1.708 1.708 0.092 1 0 "[ ]" 1
203 1 57 LEU H 1 58 GLU H 5.000 . 5.800 4.325 4.325 4.325 . 0 0 "[ ]" 1
204 1 56 ASN HA 1 57 LEU H 3.000 . 3.600 2.736 2.736 2.736 . 0 0 "[ ]" 1
205 1 52 MET HA 1 57 LEU H 5.000 . 5.800 3.236 3.236 3.236 . 0 0 "[ ]" 1
206 1 56 ASN HB2 1 57 LEU H 5.000 . 5.800 4.395 4.395 4.395 . 0 0 "[ ]" 1
207 1 56 ASN HB3 1 57 LEU H 5.000 . 5.800 4.736 4.736 4.736 . 0 0 "[ ]" 1
208 1 57 LEU H 1 58 GLU HB2 5.000 . 5.800 5.863 5.863 5.863 0.063 1 0 "[ ]" 1
209 1 57 LEU H 1 57 LEU HB2 3.000 . 3.600 3.712 3.712 3.712 0.112 1 0 "[ ]" 1
210 1 57 LEU H 1 57 LEU HB3 3.000 . 3.600 3.257 3.257 3.257 . 0 0 "[ ]" 1
211 1 57 LEU HA 1 58 GLU H 3.000 . 3.600 2.769 2.769 2.769 . 0 0 "[ ]" 1
212 1 58 GLU H 1 58 GLU QG 4.000 . 4.600 3.696 3.696 3.696 . 0 0 "[ ]" 1
213 1 58 GLU H 1 58 GLU HB2 4.000 . 4.600 1.947 1.947 1.947 . 0 0 "[ ]" 1
214 1 58 GLU H 1 58 GLU HB3 4.000 . 4.600 3.278 3.278 3.278 . 0 0 "[ ]" 1
215 1 57 LEU HB2 1 58 GLU H 5.000 . 5.800 1.868 1.868 1.868 . 0 0 "[ ]" 1
216 1 57 LEU HB3 1 58 GLU H 5.000 . 5.800 3.398 3.398 3.398 . 0 0 "[ ]" 1
217 1 57 LEU QD 1 58 GLU H 5.500 . 6.300 2.535 2.535 2.535 . 0 0 "[ ]" 1
218 1 58 GLU HA 1 59 SER H 5.000 . 5.800 2.429 2.429 2.429 . 0 0 "[ ]" 1
219 1 59 SER HA 1 60 ASP H 3.000 . 3.600 2.281 2.281 2.281 . 0 0 "[ ]" 1
220 1 59 SER QB 1 60 ASP H 5.000 . 5.800 2.995 2.995 2.995 . 0 0 "[ ]" 1
221 1 60 ASP HA 1 62 ALA H 5.000 . 5.800 3.782 3.782 3.782 . 0 0 "[ ]" 1
222 1 61 PRO HA 1 62 ALA H 2.500 . 2.900 2.923 2.923 2.923 0.023 1 0 "[ ]" 1
223 1 62 ALA H 1 62 ALA HA 3.000 . 3.600 2.807 2.807 2.807 . 0 0 "[ ]" 1
224 1 61 PRO QB 1 62 ALA H 5.000 . 5.800 3.931 3.931 3.931 . 0 0 "[ ]" 1
225 1 61 PRO QG 1 62 ALA H 4.000 . 4.600 4.193 4.193 4.193 . 0 0 "[ ]" 1
226 1 62 ALA H 1 63 GLU H 5.000 . 5.800 3.697 3.697 3.697 . 0 0 "[ ]" 1
227 1 63 GLU H 1 64 GLU H 5.000 . 5.800 2.154 2.154 2.154 . 0 0 "[ ]" 1
228 1 62 ALA MB 1 63 GLU H 5.500 . 6.300 1.802 1.802 1.802 . 0 0 "[ ]" 1
229 1 64 GLU H 1 65 TYR H 5.000 . 5.800 2.980 2.980 2.980 . 0 0 "[ ]" 1
230 1 64 GLU H 1 65 TYR QD 5.000 . 7.300 4.997 4.997 4.997 . 0 0 "[ ]" 1
231 1 64 GLU H 1 64 GLU HA 3.000 . 3.600 2.754 2.754 2.754 . 0 0 "[ ]" 1
232 1 64 GLU H 1 64 GLU QG 4.000 . 4.600 3.943 3.943 3.943 . 0 0 "[ ]" 1
233 1 65 TYR H 1 65 TYR QD 4.000 . 6.100 3.021 3.021 3.021 . 0 0 "[ ]" 1
234 1 65 TYR H 1 65 TYR QE 5.000 . 7.300 4.596 4.596 4.596 . 0 0 "[ ]" 1
235 1 64 GLU HA 1 65 TYR H 3.000 . 3.600 3.554 3.554 3.554 . 0 0 "[ ]" 1
236 1 64 GLU QB 1 65 TYR H 5.000 . 5.800 2.322 2.322 2.322 . 0 0 "[ ]" 1
237 1 66 GLU H 1 67 LEU H 5.000 . 5.800 4.531 4.531 4.531 . 0 0 "[ ]" 1
238 1 66 GLU H 1 100 ARG H 5.000 . 5.800 3.464 3.464 3.464 . 0 0 "[ ]" 1
239 1 66 GLU H 1 102 LYS H 5.000 . 5.800 4.888 4.888 4.888 . 0 0 "[ ]" 1
240 1 65 TYR QD 1 66 GLU H 4.000 . 6.100 2.746 2.746 2.746 . 0 0 "[ ]" 1
241 1 66 GLU H 1 99 LEU HA 5.000 . 5.800 5.136 5.136 5.136 . 0 0 "[ ]" 1
242 1 65 TYR HA 1 66 GLU H 2.500 . 2.900 2.367 2.367 2.367 . 0 0 "[ ]" 1
243 1 66 GLU H 1 101 LYS HA 5.000 . 5.800 4.442 4.442 4.442 . 0 0 "[ ]" 1
244 1 65 TYR QB 1 66 GLU H 4.000 . 4.600 3.007 3.007 3.007 . 0 0 "[ ]" 1
245 1 66 GLU H 1 100 ARG QG 5.000 . 5.800 3.481 3.481 3.481 . 0 0 "[ ]" 1
246 1 66 GLU H 1 67 LEU MD2 5.500 . 6.300 4.998 4.998 4.998 . 0 0 "[ ]" 1
247 1 66 GLU HA 1 67 LEU H 2.500 . 2.900 2.380 2.380 2.380 . 0 0 "[ ]" 1
248 1 67 LEU H 1 79 ILE HB 5.000 . 5.800 5.564 5.564 5.564 . 0 0 "[ ]" 1
249 1 67 LEU H 1 67 LEU HG 5.000 . 5.800 2.467 2.467 2.467 . 0 0 "[ ]" 1
250 1 66 GLU QB 1 67 LEU H 5.000 . 5.800 2.669 2.669 2.669 . 0 0 "[ ]" 1
251 1 67 LEU H 1 67 LEU MD1 5.500 . 6.300 3.867 3.867 3.867 . 0 0 "[ ]" 1
252 1 67 LEU H 1 67 LEU MD2 5.500 . 6.300 1.835 1.835 1.835 . 0 0 "[ ]" 1
253 1 68 VAL H 1 98 ILE H 5.000 . 5.800 3.070 3.070 3.070 . 0 0 "[ ]" 1
254 1 67 LEU H 1 68 VAL H 5.000 . 5.800 4.465 4.465 4.465 . 0 0 "[ ]" 1
255 1 68 VAL H 1 99 LEU HA 5.000 . 5.800 3.651 3.651 3.651 . 0 0 "[ ]" 1
256 1 67 LEU HA 1 68 VAL H 3.000 . 3.600 2.586 2.586 2.586 . 0 0 "[ ]" 1
257 1 68 VAL H 1 68 VAL HB 4.000 . 4.600 2.787 2.787 2.787 . 0 0 "[ ]" 1
258 1 68 VAL H 1 98 ILE HB 5.000 . 5.800 4.267 4.267 4.267 . 0 0 "[ ]" 1
259 1 69 GLN H 1 77 LEU H 5.000 . 5.800 2.621 2.621 2.621 . 0 0 "[ ]" 1
260 1 68 VAL HA 1 69 GLN H 3.000 . 3.600 2.234 2.234 2.234 . 0 0 "[ ]" 1
261 1 69 GLN H 1 69 GLN HB2 4.000 . 4.600 2.256 2.256 2.256 . 0 0 "[ ]" 1
262 1 69 GLN H 1 77 LEU HG 5.000 . 5.800 4.911 4.911 4.911 . 0 0 "[ ]" 1
263 1 69 GLN H 1 77 LEU QD 5.500 . 6.300 4.303 4.303 4.303 . 0 0 "[ ]" 1
264 1 69 GLN H 1 98 ILE H 5.000 . 5.800 5.178 5.178 5.178 . 0 0 "[ ]" 1
265 1 70 VAL H 1 71 ILE H 5.000 . 5.800 4.556 4.556 4.556 . 0 0 "[ ]" 1
266 1 70 VAL H 1 97 PHE QD 5.000 . 7.300 3.071 3.071 3.071 . 0 0 "[ ]" 1
267 1 70 VAL H 1 97 PHE HA 4.000 . 4.600 3.245 3.245 3.245 . 0 0 "[ ]" 1
268 1 69 GLN HA 1 70 VAL H 3.000 . 3.600 2.228 2.228 2.228 . 0 0 "[ ]" 1
269 1 70 VAL H 1 96 ASP HB3 5.000 . 5.800 5.637 5.637 5.637 . 0 0 "[ ]" 1
270 1 70 VAL H 1 70 VAL HB 3.000 . 3.600 2.204 2.204 2.204 . 0 0 "[ ]" 1
271 1 71 ILE H 1 77 LEU H 5.000 . 5.800 5.512 5.512 5.512 . 0 0 "[ ]" 1
272 1 71 ILE H 1 72 SER H 3.000 . 3.600 2.988 2.988 2.988 . 0 0 "[ ]" 1
273 1 71 ILE H 1 76 GLU HA 4.000 . 4.600 3.696 3.696 3.696 . 0 0 "[ ]" 1
274 1 70 VAL HA 1 71 ILE H 3.000 . 3.600 2.213 2.213 2.213 . 0 0 "[ ]" 1
275 1 70 VAL HB 1 71 ILE H 5.000 . 5.800 4.360 4.360 4.360 . 0 0 "[ ]" 1
276 1 71 ILE H 1 71 ILE HB 4.000 . 4.600 2.362 2.362 2.362 . 0 0 "[ ]" 1
277 1 71 ILE H 1 71 ILE QG 3.000 . 3.600 3.029 3.029 3.029 . 0 0 "[ ]" 1
278 1 71 ILE H 1 71 ILE MG 4.500 . 5.100 3.688 3.688 3.688 . 0 0 "[ ]" 1
279 1 71 ILE H 1 71 ILE MD 5.500 . 6.300 3.904 3.904 3.904 . 0 0 "[ ]" 1
280 1 72 SER H 1 73 GLU H 5.000 . 5.800 4.325 4.325 4.325 . 0 0 "[ ]" 1
281 1 72 SER H 1 74 ASP H 5.000 . 5.800 4.421 4.421 4.421 . 0 0 "[ ]" 1
282 1 72 SER H 1 76 GLU HA 5.000 . 5.800 5.418 5.418 5.418 . 0 0 "[ ]" 1
283 1 72 SER H 1 72 SER HA 3.000 . 3.600 2.878 2.878 2.878 . 0 0 "[ ]" 1
284 1 71 ILE HA 1 72 SER H 3.000 . 3.600 3.507 3.507 3.507 . 0 0 "[ ]" 1
285 1 71 ILE HB 1 72 SER H 3.000 . 3.600 2.034 2.034 2.034 . 0 0 "[ ]" 1
286 1 72 SER H 1 75 LYS QB 3.000 . 3.600 2.955 2.955 2.955 . 0 0 "[ ]" 1
287 1 71 ILE MD 1 72 SER H 5.500 . 6.300 4.041 4.041 4.041 . 0 0 "[ ]" 1
288 1 72 SER HA 1 73 GLU H 5.000 . 5.800 2.368 2.368 2.368 . 0 0 "[ ]" 1
289 1 74 ASP H 1 75 LYS H 3.000 . 3.600 3.342 3.342 3.342 . 0 0 "[ ]" 1
290 1 72 SER HA 1 74 ASP H 5.000 . 5.800 5.232 5.232 5.232 . 0 0 "[ ]" 1
291 1 73 GLU HA 1 74 ASP H 4.000 . 4.600 3.489 3.489 3.489 . 0 0 "[ ]" 1
292 1 73 GLU QG 1 74 ASP H 5.000 . 5.800 3.771 3.771 3.771 . 0 0 "[ ]" 1
293 1 73 GLU QB 1 74 ASP H 4.000 . 4.600 1.805 1.805 1.805 . 0 0 "[ ]" 1
294 1 74 ASP H 1 75 LYS QB 5.000 . 5.800 3.244 3.244 3.244 . 0 0 "[ ]" 1
295 1 74 ASP H 1 75 LYS QG 5.000 . 5.800 4.953 4.953 4.953 . 0 0 "[ ]" 1
296 1 72 SER H 1 75 LYS H 4.000 . 4.600 3.385 3.385 3.385 . 0 0 "[ ]" 1
297 1 71 ILE H 1 75 LYS H 5.000 . 5.800 4.378 4.378 4.378 . 0 0 "[ ]" 1
298 1 75 LYS H 1 75 LYS HA 2.500 . 2.900 2.949 2.949 2.949 0.049 1 0 "[ ]" 1
299 1 73 GLU HA 1 75 LYS H 5.000 . 5.800 5.707 5.707 5.707 . 0 0 "[ ]" 1
300 1 72 SER HA 1 75 LYS H 5.000 . 5.800 5.204 5.204 5.204 . 0 0 "[ ]" 1
301 1 74 ASP QB 1 75 LYS H 5.000 . 5.800 3.932 3.932 3.932 . 0 0 "[ ]" 1
302 1 75 LYS H 1 75 LYS QB 2.500 . 2.900 2.698 2.698 2.698 . 0 0 "[ ]" 1
303 1 75 LYS H 1 75 LYS QD 5.000 . 5.800 4.912 4.912 4.912 . 0 0 "[ ]" 1
304 1 76 GLU H 1 77 LEU H 5.000 . 5.800 4.489 4.489 4.489 . 0 0 "[ ]" 1
305 1 75 LYS H 1 76 GLU H 5.000 . 5.800 3.234 3.234 3.234 . 0 0 "[ ]" 1
306 1 75 LYS HA 1 76 GLU H 2.500 . 2.900 2.471 2.471 2.471 . 0 0 "[ ]" 1
307 1 76 GLU H 1 76 GLU QG 4.000 . 4.600 1.845 1.845 1.845 . 0 0 "[ ]" 1
308 1 76 GLU H 1 76 GLU HB3 3.000 . 3.600 3.129 3.129 3.129 . 0 0 "[ ]" 1
309 1 76 GLU H 1 76 GLU HB2 3.000 . 3.600 3.618 3.618 3.618 0.018 1 0 "[ ]" 1
310 1 76 GLU HA 1 77 LEU H 3.000 . 3.600 2.254 2.254 2.254 . 0 0 "[ ]" 1
311 1 70 VAL HA 1 77 LEU H 5.000 . 5.800 4.792 4.792 4.792 . 0 0 "[ ]" 1
312 1 77 LEU H 1 77 LEU QB 3.000 . 3.600 2.348 2.348 2.348 . 0 0 "[ ]" 1
313 1 77 LEU H 1 77 LEU HG 4.000 . 4.600 2.725 2.725 2.725 . 0 0 "[ ]" 1
314 1 78 VAL H 1 78 VAL HB 3.000 . 3.600 2.957 2.957 2.957 . 0 0 "[ ]" 1
315 1 78 VAL H 1 78 VAL MG2 3.500 . 4.100 2.619 2.619 2.619 . 0 0 "[ ]" 1
316 1 68 VAL HA 1 79 ILE H 4.000 . 4.600 4.663 4.663 4.663 0.063 1 0 "[ ]" 1
317 1 78 VAL HA 1 79 ILE H 3.000 . 3.600 2.409 2.409 2.409 . 0 0 "[ ]" 1
318 1 79 ILE H 1 79 ILE HB 3.000 . 3.600 3.346 3.346 3.346 . 0 0 "[ ]" 1
319 1 66 GLU QB 1 79 ILE H 4.000 . 4.600 3.634 3.634 3.634 . 0 0 "[ ]" 1
320 1 79 ILE H 1 79 ILE MD 4.500 . 5.100 2.332 2.332 2.332 . 0 0 "[ ]" 1
321 1 67 LEU MD2 1 79 ILE H 5.500 . 6.300 2.261 2.261 2.261 . 0 0 "[ ]" 1
322 1 67 LEU MD1 1 79 ILE H 5.500 . 6.300 3.836 3.836 3.836 . 0 0 "[ ]" 1
323 1 80 PRO HA 1 81 ASP H 3.000 . 3.600 2.810 2.810 2.810 . 0 0 "[ ]" 1
324 1 81 ASP H 1 81 ASP QB 3.000 . 3.600 3.016 3.016 3.016 . 0 0 "[ ]" 1
325 1 80 PRO QB 1 81 ASP H 5.000 . 5.800 1.837 1.837 1.837 . 0 0 "[ ]" 1
326 1 80 PRO QG 1 81 ASP H 5.000 . 5.800 3.582 3.582 3.582 . 0 0 "[ ]" 1
327 1 82 SER H 1 83 ALA H 5.000 . 5.800 4.334 4.334 4.334 . 0 0 "[ ]" 1
328 1 81 ASP QB 1 82 SER H 5.000 . 5.800 3.410 3.410 3.410 . 0 0 "[ ]" 1
329 1 80 PRO QB 1 82 SER H 5.000 . 5.800 3.938 3.938 3.938 . 0 0 "[ ]" 1
330 1 80 PRO QG 1 82 SER H 5.000 . 5.800 5.197 5.197 5.197 . 0 0 "[ ]" 1
331 1 82 SER H 1 83 ALA MB 5.500 . 6.300 5.285 5.285 5.285 . 0 0 "[ ]" 1
332 1 83 ALA H 1 84 ASN H 5.000 . 5.800 3.671 3.671 3.671 . 0 0 "[ ]" 1
333 1 82 SER HA 1 83 ALA H 2.500 . 2.900 2.222 2.222 2.222 . 0 0 "[ ]" 1
334 1 83 ALA H 1 83 ALA HA 3.000 . 3.600 2.913 2.913 2.913 . 0 0 "[ ]" 1
335 1 82 SER QB 1 83 ALA H 5.000 . 5.800 3.821 3.821 3.821 . 0 0 "[ ]" 1
336 1 83 ALA HA 1 84 ASN H 2.500 . 2.900 2.659 2.659 2.659 . 0 0 "[ ]" 1
337 1 84 ASN H 1 85 VAL HB 5.000 . 5.800 5.960 5.960 5.960 0.160 1 0 "[ ]" 1
338 1 83 ALA MB 1 84 ASN H 5.500 . 6.300 3.734 3.734 3.734 . 0 0 "[ ]" 1
339 1 84 ASN H 1 85 VAL MG2 5.500 . 6.300 3.280 3.280 3.280 . 0 0 "[ ]" 1
340 1 85 VAL H 1 86 PHE H 5.000 . 5.800 4.186 4.186 4.186 . 0 0 "[ ]" 1
341 1 84 ASN HA 1 85 VAL H 5.000 . 5.800 3.131 3.131 3.131 . 0 0 "[ ]" 1
342 1 43 LYS QB 1 85 VAL H 5.000 . 5.800 3.995 3.995 3.995 . 0 0 "[ ]" 1
343 1 84 ASN QB 1 85 VAL H 5.000 . 5.800 3.564 3.564 3.564 . 0 0 "[ ]" 1
344 1 85 VAL H 1 85 VAL HB 4.000 . 4.600 3.521 3.521 3.521 . 0 0 "[ ]" 1
345 1 43 LYS QG 1 85 VAL H 5.000 . 5.800 3.358 3.358 3.358 . 0 0 "[ ]" 1
346 1 83 ALA MB 1 85 VAL H 5.500 . 6.300 3.717 3.717 3.717 . 0 0 "[ ]" 1
347 1 86 PHE H 1 87 TYR H 5.000 . 5.800 2.657 2.657 2.657 . 0 0 "[ ]" 1
348 1 86 PHE H 1 86 PHE QD 5.000 . 7.300 4.071 4.071 4.071 . 0 0 "[ ]" 1
349 1 86 PHE H 1 87 TYR QB 5.000 . 5.800 4.192 4.192 4.192 . 0 0 "[ ]" 1
350 1 85 VAL HA 1 86 PHE H 5.000 . 5.800 2.310 2.310 2.310 . 0 0 "[ ]" 1
351 1 84 ASN QB 1 86 PHE H 5.000 . 5.800 4.097 4.097 4.097 . 0 0 "[ ]" 1
352 1 85 VAL HB 1 86 PHE H 5.000 . 5.800 4.103 4.103 4.103 . 0 0 "[ ]" 1
353 1 85 VAL MG2 1 86 PHE H 5.500 . 6.300 4.184 4.184 4.184 . 0 0 "[ ]" 1
354 1 85 VAL MG1 1 86 PHE H 5.500 . 6.300 4.186 4.186 4.186 . 0 0 "[ ]" 1
355 1 87 TYR H 1 88 ALA H 4.000 . 4.600 2.483 2.483 2.483 . 0 0 "[ ]" 1
356 1 86 PHE QD 1 87 TYR H 5.000 . 7.300 2.636 2.636 2.636 . 0 0 "[ ]" 1
357 1 87 TYR H 1 88 ALA HA 5.000 . 5.800 4.991 4.991 4.991 . 0 0 "[ ]" 1
358 1 86 PHE HA 1 87 TYR H 5.000 . 5.800 3.594 3.594 3.594 . 0 0 "[ ]" 1
359 1 85 VAL HA 1 87 TYR H 5.000 . 5.800 4.728 4.728 4.728 . 0 0 "[ ]" 1
360 1 86 PHE QB 1 87 TYR H 5.000 . 5.800 2.837 2.837 2.837 . 0 0 "[ ]" 1
361 1 87 TYR H 1 88 ALA MB 5.500 . 6.300 4.092 4.092 4.092 . 0 0 "[ ]" 1
362 1 86 PHE H 1 88 ALA H 5.000 . 5.800 2.183 2.183 2.183 . 0 0 "[ ]" 1
363 1 87 TYR HA 1 88 ALA H 4.000 . 4.600 3.422 3.422 3.422 . 0 0 "[ ]" 1
364 1 88 ALA H 1 88 ALA HA 3.000 . 3.600 2.764 2.764 2.764 . 0 0 "[ ]" 1
365 1 87 TYR QB 1 88 ALA H 4.000 . 4.600 3.070 3.070 3.070 . 0 0 "[ ]" 1
366 1 85 VAL HA 1 88 ALA H 5.000 . 5.800 4.044 4.044 4.044 . 0 0 "[ ]" 1
367 1 88 ALA H 1 89 MET QG 5.000 . 5.800 4.426 4.426 4.426 . 0 0 "[ ]" 1
368 1 89 MET H 1 90 ASN H 5.000 . 5.800 1.903 1.903 1.903 . 0 0 "[ ]" 1
369 1 87 TYR H 1 89 MET H 5.000 . 5.800 4.786 4.786 4.786 . 0 0 "[ ]" 1
370 1 87 TYR HA 1 89 MET H 5.000 . 5.800 3.965 3.965 3.965 . 0 0 "[ ]" 1
371 1 88 ALA HA 1 89 MET H 4.000 . 4.600 3.581 3.581 3.581 . 0 0 "[ ]" 1
372 1 89 MET H 1 89 MET HA 3.000 . 3.600 3.004 3.004 3.004 . 0 0 "[ ]" 1
373 1 86 PHE HA 1 89 MET H 5.000 . 5.800 4.588 4.588 4.588 . 0 0 "[ ]" 1
374 1 85 VAL HA 1 89 MET H 5.000 . 5.800 5.871 5.871 5.871 0.071 1 0 "[ ]" 1
375 1 89 MET H 1 89 MET QG 4.000 . 4.600 2.442 2.442 2.442 . 0 0 "[ ]" 1
376 1 88 ALA MB 1 89 MET H 5.500 . 6.300 2.405 2.405 2.405 . 0 0 "[ ]" 1
377 1 90 ASN H 1 91 SER H 5.000 . 5.800 4.286 4.286 4.286 . 0 0 "[ ]" 1
378 1 90 ASN H 1 90 ASN QD 5.000 . 5.800 1.860 1.860 1.860 . 0 0 "[ ]" 1
379 1 89 MET HA 1 90 ASN H 3.000 . 3.600 3.471 3.471 3.471 . 0 0 "[ ]" 1
380 1 89 MET QG 1 90 ASN H 5.000 . 5.800 3.962 3.962 3.962 . 0 0 "[ ]" 1
381 1 89 MET QB 1 90 ASN H 5.000 . 5.800 3.044 3.044 3.044 . 0 0 "[ ]" 1
382 1 90 ASN HA 1 91 SER H 2.500 . 2.900 2.914 2.914 2.914 0.014 1 0 "[ ]" 1
383 1 91 SER H 1 91 SER HB2 4.000 . 4.600 3.865 3.865 3.865 . 0 0 "[ ]" 1
384 1 91 SER H 1 91 SER HB3 4.000 . 4.600 2.810 2.810 2.810 . 0 0 "[ ]" 1
385 1 90 ASN QB 1 91 SER H 5.000 . 5.800 2.051 2.051 2.051 . 0 0 "[ ]" 1
386 1 91 SER HA 1 92 GLN H 4.000 . 4.600 2.791 2.791 2.791 . 0 0 "[ ]" 1
387 1 92 GLN H 1 92 GLN HB3 3.000 . 3.600 3.602 3.602 3.602 0.002 1 0 "[ ]" 1
388 1 92 GLN H 1 92 GLN HB2 4.000 . 4.600 4.026 4.026 4.026 . 0 0 "[ ]" 1
389 1 92 GLN H 1 93 VAL QG 5.500 . 6.300 4.103 4.103 4.103 . 0 0 "[ ]" 1
390 1 92 GLN H 1 93 VAL H 3.000 . 3.600 3.616 3.616 3.616 0.016 1 0 "[ ]" 1
391 1 93 VAL H 1 94 ASN H 5.000 . 5.800 4.694 4.694 4.694 . 0 0 "[ ]" 1
392 1 93 VAL H 1 93 VAL HA 3.000 . 3.600 2.382 2.382 2.382 . 0 0 "[ ]" 1
393 1 92 GLN HB2 1 93 VAL H 5.000 . 5.800 3.874 3.874 3.874 . 0 0 "[ ]" 1
394 1 94 ASN H 1 95 PHE H 5.000 . 5.800 4.637 4.637 4.637 . 0 0 "[ ]" 1
395 1 94 ASN H 1 94 ASN QD 5.000 . 5.800 2.279 2.279 2.279 . 0 0 "[ ]" 1
396 1 93 VAL HA 1 94 ASN H 2.500 . 2.900 2.781 2.781 2.781 . 0 0 "[ ]" 1
397 1 94 ASN H 1 94 ASN HB3 3.000 . 3.600 2.321 2.321 2.321 . 0 0 "[ ]" 1
398 1 94 ASN H 1 94 ASN HB2 3.000 . 3.600 3.526 3.526 3.526 . 0 0 "[ ]" 1
399 1 93 VAL HB 1 94 ASN H 2.500 . 2.900 2.054 2.054 2.054 . 0 0 "[ ]" 1
400 1 93 VAL QG 1 94 ASN H 3.500 . 4.100 2.455 2.455 2.455 . 0 0 "[ ]" 1
401 1 71 ILE MD 1 94 ASN H 5.500 . 6.300 5.235 5.235 5.235 . 0 0 "[ ]" 1
402 1 95 PHE H 1 96 ASP H 5.000 . 5.800 4.437 4.437 4.437 . 0 0 "[ ]" 1
403 1 95 PHE H 1 95 PHE QD 5.000 . 7.300 3.178 3.178 3.178 . 0 0 "[ ]" 1
404 1 21 ILE HA 1 95 PHE H 5.000 . 5.800 3.951 3.951 3.951 . 0 0 "[ ]" 1
405 1 95 PHE H 1 95 PHE HB2 4.000 . 4.600 2.206 2.206 2.206 . 0 0 "[ ]" 1
406 1 94 ASN HB3 1 95 PHE H 5.000 . 5.800 3.997 3.997 3.997 . 0 0 "[ ]" 1
407 1 94 ASN HB2 1 95 PHE H 5.000 . 5.800 2.638 2.638 2.638 . 0 0 "[ ]" 1
408 1 96 ASP H 1 97 PHE H 5.000 . 5.800 4.125 4.125 4.125 . 0 0 "[ ]" 1
409 1 95 PHE QD 1 96 ASP H 4.000 . 6.100 3.976 3.976 3.976 . 0 0 "[ ]" 1
410 1 96 ASP H 1 97 PHE QD 5.000 . 7.300 3.239 3.239 3.239 . 0 0 "[ ]" 1
411 1 96 ASP H 1 97 PHE QE 5.000 . 7.300 2.845 2.845 2.845 . 0 0 "[ ]" 1
412 1 69 GLN HA 1 96 ASP H 5.000 . 5.800 4.518 4.518 4.518 . 0 0 "[ ]" 1
413 1 95 PHE HB3 1 96 ASP H 5.000 . 5.800 3.537 3.537 3.537 . 0 0 "[ ]" 1
414 1 95 PHE HB2 1 96 ASP H 5.000 . 5.800 4.470 4.470 4.470 . 0 0 "[ ]" 1
415 1 96 ASP H 1 96 ASP HB2 4.000 . 4.600 3.808 3.808 3.808 . 0 0 "[ ]" 1
416 1 96 ASP H 1 96 ASP HB3 4.000 . 4.600 3.080 3.080 3.080 . 0 0 "[ ]" 1
417 1 70 VAL HB 1 96 ASP H 5.000 . 5.800 4.496 4.496 4.496 . 0 0 "[ ]" 1
418 1 70 VAL QG 1 96 ASP H 5.500 . 6.300 4.693 4.693 4.693 . 0 0 "[ ]" 1
419 1 97 PHE H 1 97 PHE QD 4.000 . 6.100 3.066 3.066 3.066 . 0 0 "[ ]" 1
420 1 97 PHE H 1 97 PHE QE 5.000 . 7.300 4.438 4.438 4.438 . 0 0 "[ ]" 1
421 1 96 ASP HA 1 97 PHE H 3.000 . 3.600 2.227 2.227 2.227 . 0 0 "[ ]" 1
422 1 96 ASP HB2 1 97 PHE H 5.000 . 5.800 3.753 3.753 3.753 . 0 0 "[ ]" 1
423 1 96 ASP HB3 1 97 PHE H 5.000 . 5.800 4.503 4.503 4.503 . 0 0 "[ ]" 1
424 1 23 ILE MG 1 97 PHE H 5.500 . 6.300 5.153 5.153 5.153 . 0 0 "[ ]" 1
425 1 23 ILE MD 1 97 PHE H 5.500 . 6.300 3.881 3.881 3.881 . 0 0 "[ ]" 1
426 1 97 PHE QD 1 98 ILE H 5.000 . 7.300 4.126 4.126 4.126 . 0 0 "[ ]" 1
427 1 97 PHE HA 1 98 ILE H 3.000 . 3.600 2.195 2.195 2.195 . 0 0 "[ ]" 1
428 1 69 GLN HA 1 98 ILE H 5.000 . 5.800 3.725 3.725 3.725 . 0 0 "[ ]" 1
429 1 97 PHE HB2 1 98 ILE H 5.000 . 5.800 4.176 4.176 4.176 . 0 0 "[ ]" 1
430 1 97 PHE HB3 1 98 ILE H 5.000 . 5.800 3.546 3.546 3.546 . 0 0 "[ ]" 1
431 1 68 VAL HB 1 98 ILE H 5.000 . 5.800 3.920 3.920 3.920 . 0 0 "[ ]" 1
432 1 98 ILE H 1 98 ILE HB 3.000 . 3.600 2.416 2.416 2.416 . 0 0 "[ ]" 1
433 1 98 ILE H 1 98 ILE MD 5.500 . 6.300 3.756 3.756 3.756 . 0 0 "[ ]" 1
434 1 99 LEU H 1 99 LEU HG 5.000 . 5.800 2.944 2.944 2.944 . 0 0 "[ ]" 1
435 1 98 ILE HA 1 99 LEU H 2.500 . 2.900 2.218 2.218 2.218 . 0 0 "[ ]" 1
436 1 25 VAL HA 1 99 LEU H 4.000 . 4.600 3.086 3.086 3.086 . 0 0 "[ ]" 1
437 1 99 LEU H 1 100 ARG H 5.000 . 5.800 4.544 4.544 4.544 . 0 0 "[ ]" 1
438 1 65 TYR QD 1 100 ARG H 5.000 . 7.300 2.652 2.652 2.652 . 0 0 "[ ]" 1
439 1 99 LEU HA 1 100 ARG H 2.500 . 2.900 2.353 2.353 2.353 . 0 0 "[ ]" 1
440 1 65 TYR QD 1 101 LYS H 5.000 . 7.300 4.991 4.991 4.991 . 0 0 "[ ]" 1
441 1 65 TYR QE 1 101 LYS H 5.000 . 7.300 6.660 6.660 6.660 . 0 0 "[ ]" 1
442 1 100 ARG HA 1 101 LYS H 2.500 . 2.900 2.328 2.328 2.328 . 0 0 "[ ]" 1
443 1 101 LYS H 1 101 LYS QB 3.000 . 3.600 1.924 1.924 1.924 . 0 0 "[ ]" 1
444 1 102 LYS H 1 103 ASN H 5.000 . 5.800 4.213 4.213 4.213 . 0 0 "[ ]" 1
445 1 102 LYS H 1 102 LYS HA 3.000 . 3.600 2.966 2.966 2.966 . 0 0 "[ ]" 1
446 1 65 TYR HA 1 102 LYS H 3.000 . 3.600 2.901 2.901 2.901 . 0 0 "[ ]" 1
447 1 101 LYS HA 1 102 LYS H 2.500 . 2.900 2.467 2.467 2.467 . 0 0 "[ ]" 1
448 1 103 ASN H 1 103 ASN HA 2.500 . 2.900 2.741 2.741 2.741 . 0 0 "[ ]" 1
449 1 103 ASN H 1 103 ASN QB 2.500 . 2.900 2.381 2.381 2.381 . 0 0 "[ ]" 1
450 1 102 LYS HA 1 103 ASN H 2.500 . 2.900 2.925 2.925 2.925 0.025 1 0 "[ ]" 1
451 1 102 LYS QB 1 103 ASN H 4.000 . 4.600 1.753 1.753 1.753 0.047 1 0 "[ ]" 1
452 1 93 VAL HB 1 94 ASN QD 5.000 . 5.800 3.166 3.166 3.166 . 0 0 "[ ]" 1
453 1 89 MET HA 1 90 ASN QD 5.000 . 5.800 4.777 4.777 4.777 . 0 0 "[ ]" 1
454 1 16 GLU HA 1 17 ASP QB 5.000 . 5.800 4.714 4.714 4.714 . 0 0 "[ ]" 1
455 1 16 GLU HA 1 16 GLU QG 2.500 . 2.800 2.032 2.032 2.032 . 0 0 "[ ]" 1
456 1 17 ASP HA 1 86 PHE HZ 5.000 . 5.800 5.044 5.044 5.044 . 0 0 "[ ]" 1
457 1 17 ASP HA 1 86 PHE QE 5.000 . 7.300 5.747 5.747 5.747 . 0 0 "[ ]" 1
458 1 17 ASP HA 1 17 ASP QB 2.500 . 2.800 2.312 2.312 2.312 . 0 0 "[ ]" 1
459 1 16 GLU QB 1 17 ASP HA 5.000 . 5.800 4.759 4.759 4.759 . 0 0 "[ ]" 1
460 1 17 ASP HA 1 18 THR MG 5.500 . 6.300 4.551 4.551 4.551 . 0 0 "[ ]" 1
461 1 17 ASP QB 1 18 THR HA 5.000 . 5.800 4.333 4.333 4.333 . 0 0 "[ ]" 1
462 1 16 GLU QG 1 17 ASP QB 5.000 . 5.800 4.099 4.099 4.099 . 0 0 "[ ]" 1
463 1 16 GLU QB 1 17 ASP QB 5.000 . 5.800 3.608 3.608 3.608 . 0 0 "[ ]" 1
464 1 17 ASP QB 1 18 THR MG 5.500 . 6.300 3.712 3.712 3.712 . 0 0 "[ ]" 1
465 1 17 ASP HA 1 18 THR HA 5.000 . 5.800 4.427 4.427 4.427 . 0 0 "[ ]" 1
466 1 18 THR HA 1 19 CYS HB2 5.000 . 5.800 4.099 4.099 4.099 . 0 0 "[ ]" 1
467 1 18 THR HA 1 19 CYS HA 5.000 . 5.800 4.516 4.516 4.516 . 0 0 "[ ]" 1
468 1 19 CYS HA 1 94 ASN HA 5.000 . 5.800 4.079 4.079 4.079 . 0 0 "[ ]" 1
469 1 18 THR HB 1 19 CYS HA 5.000 . 5.800 4.213 4.213 4.213 . 0 0 "[ ]" 1
470 1 19 CYS HA 1 20 ILE HB 5.000 . 5.800 4.578 4.578 4.578 . 0 0 "[ ]" 1
471 1 18 THR MG 1 19 CYS HA 5.500 . 6.300 5.224 5.224 5.224 . 0 0 "[ ]" 1
472 1 19 CYS HA 1 20 ILE MG 5.500 . 6.300 3.667 3.667 3.667 . 0 0 "[ ]" 1
473 1 20 ILE HA 1 37 MET HA 4.000 . 4.600 1.865 1.865 1.865 . 0 0 "[ ]" 1
474 1 20 ILE HA 1 21 ILE HA 5.000 . 5.800 4.490 4.490 4.490 . 0 0 "[ ]" 1
475 1 19 CYS HA 1 20 ILE HA 5.000 . 5.800 4.446 4.446 4.446 . 0 0 "[ ]" 1
476 1 20 ILE HA 1 37 MET QG 5.000 . 5.800 4.295 4.295 4.295 . 0 0 "[ ]" 1
477 1 20 ILE HB 1 37 MET HA 5.000 . 5.800 3.913 3.913 3.913 . 0 0 "[ ]" 1
478 1 21 ILE HA 1 97 PHE QD 5.000 . 7.300 4.937 4.937 4.937 . 0 0 "[ ]" 1
479 1 21 ILE HA 1 97 PHE QE 5.000 . 7.300 4.197 4.197 4.197 . 0 0 "[ ]" 1
480 1 21 ILE HA 1 95 PHE HB3 5.000 . 5.800 2.836 2.836 2.836 . 0 0 "[ ]" 1
481 1 21 ILE HA 1 95 PHE HB2 5.000 . 5.800 2.874 2.874 2.874 . 0 0 "[ ]" 1
482 1 21 ILE HB 1 97 PHE QD 5.000 . 7.300 4.072 4.072 4.072 . 0 0 "[ ]" 1
483 1 21 ILE MG 1 97 PHE QD 5.500 . 7.800 4.642 4.642 4.642 . 0 0 "[ ]" 1
484 1 21 ILE MG 1 97 PHE QE 5.500 . 7.800 3.133 3.133 3.133 . 0 0 "[ ]" 1
485 1 21 ILE MG 1 95 PHE QD 5.500 . 7.800 2.601 2.601 2.601 . 0 0 "[ ]" 1
486 1 21 ILE MG 1 95 PHE HB3 5.500 . 6.300 2.561 2.561 2.561 . 0 0 "[ ]" 1
487 1 21 ILE MG 1 95 PHE HB2 5.500 . 6.300 2.453 2.453 2.453 . 0 0 "[ ]" 1
488 1 21 ILE MG 1 38 LEU QD 5.500 . 6.300 3.154 3.154 3.154 . 0 0 "[ ]" 1
489 1 21 ILE MG 1 23 ILE MD 5.500 . 6.300 3.891 3.891 3.891 . 0 0 "[ ]" 1
490 1 21 ILE MD 1 97 PHE QE 5.500 . 7.800 4.068 4.068 4.068 . 0 0 "[ ]" 1
491 1 21 ILE MD 1 97 PHE QD 5.500 . 7.800 4.546 4.546 4.546 . 0 0 "[ ]" 1
492 1 21 ILE MD 1 36 ILE HB 5.500 . 6.300 4.486 4.486 4.486 . 0 0 "[ ]" 1
493 1 21 ILE MD 1 23 ILE HB 5.500 . 6.300 4.787 4.787 4.787 . 0 0 "[ ]" 1
494 1 21 ILE MD 1 34 LYS QD 5.500 . 6.300 4.041 4.041 4.041 . 0 0 "[ ]" 1
495 1 21 ILE MD 1 47 VAL MG2 5.500 . 6.300 2.324 2.324 2.324 . 0 0 "[ ]" 1
496 1 21 ILE MD 1 23 ILE MD 5.500 . 6.300 2.159 2.159 2.159 . 0 0 "[ ]" 1
497 1 21 ILE MD 1 47 VAL MG1 5.500 . 6.300 3.116 3.116 3.116 . 0 0 "[ ]" 1
498 1 22 ARG HA 1 35 SER HA 5.000 . 5.800 2.043 2.043 2.043 . 0 0 "[ ]" 1
499 1 22 ARG HA 1 35 SER QB 5.000 . 5.800 3.440 3.440 3.440 . 0 0 "[ ]" 1
500 1 23 ILE HA 1 98 ILE HA 5.000 . 5.800 4.117 4.117 4.117 . 0 0 "[ ]" 1
501 1 24 SER HA 1 25 VAL HA 5.000 . 5.800 4.524 4.524 4.524 . 0 0 "[ ]" 1
502 1 24 SER HA 1 26 GLU QG 5.000 . 5.800 5.136 5.136 5.136 . 0 0 "[ ]" 1
503 1 24 SER HA 1 26 GLU QB 5.000 . 5.800 4.473 4.473 4.473 . 0 0 "[ ]" 1
504 1 24 SER HA 1 25 VAL HB 5.000 . 5.800 5.788 5.788 5.788 . 0 0 "[ ]" 1
505 1 24 SER HA 1 34 LYS HB2 5.000 . 5.800 4.782 4.782 4.782 . 0 0 "[ ]" 1
506 1 24 SER HA 1 57 LEU QD 5.500 . 6.300 4.622 4.622 4.622 . 0 0 "[ ]" 1
507 1 25 VAL HA 1 99 LEU HA 5.000 . 5.800 4.153 4.153 4.153 . 0 0 "[ ]" 1
508 1 25 VAL HA 1 99 LEU HG 4.000 . 4.600 4.609 4.609 4.609 0.009 1 0 "[ ]" 1
509 1 25 VAL HB 1 57 LEU QB 5.000 . 5.800 4.918 4.918 4.918 . 0 0 "[ ]" 1
510 1 25 VAL HB 1 99 LEU HG 5.000 . 5.800 5.448 5.448 5.448 . 0 0 "[ ]" 1
511 1 24 SER HA 1 25 VAL MG1 5.500 . 6.300 3.589 3.589 3.589 . 0 0 "[ ]" 1
512 1 25 VAL MG1 1 33 TYR QB 5.500 . 6.300 4.555 4.555 4.555 . 0 0 "[ ]" 1
513 1 25 VAL MG1 1 99 LEU QB 5.500 . 6.300 1.764 1.764 1.764 0.036 1 0 "[ ]" 1
514 1 25 VAL MG2 1 33 TYR QD 5.500 . 7.800 4.434 4.434 4.434 . 0 0 "[ ]" 1
515 1 25 VAL MG2 1 33 TYR QE 5.500 . 7.800 4.235 4.235 4.235 . 0 0 "[ ]" 1
516 1 25 VAL MG2 1 33 TYR QB 5.500 . 6.300 4.593 4.593 4.593 . 0 0 "[ ]" 1
517 1 25 VAL MG2 1 58 GLU HB2 5.500 . 6.300 2.876 2.876 2.876 . 0 0 "[ ]" 1
518 1 25 VAL MG2 1 52 MET QB 5.500 . 6.300 3.263 3.263 3.263 . 0 0 "[ ]" 1
519 1 25 VAL MG2 1 57 LEU QD 5.500 . 6.300 1.648 1.648 1.648 0.152 1 0 "[ ]" 1
520 1 26 GLU HA 1 100 ARG QB 5.000 . 5.800 5.233 5.233 5.233 . 0 0 "[ ]" 1
521 1 27 ASP HA 1 101 LYS HB2 5.000 . 5.800 5.805 5.805 5.805 0.005 1 0 "[ ]" 1
522 1 30 GLY QA 1 31 ASN QB 5.000 . 5.800 4.246 4.246 4.246 . 0 0 "[ ]" 1
523 1 26 GLU QB 1 31 ASN QB 5.000 . 5.800 4.589 4.589 4.589 . 0 0 "[ ]" 1
524 1 32 MET HA 1 33 TYR QE 5.000 . 7.300 6.353 6.353 6.353 . 0 0 "[ ]" 1
525 1 33 TYR QB 1 34 LYS QG 5.000 . 5.800 3.503 3.503 3.503 . 0 0 "[ ]" 1
526 1 33 TYR QD 1 34 LYS HA 5.000 . 7.300 5.031 5.031 5.031 . 0 0 "[ ]" 1
527 1 34 LYS HA 1 34 LYS QD 3.000 . 3.400 2.109 2.109 2.109 . 0 0 "[ ]" 1
528 1 22 ARG HB3 1 35 SER HA 5.000 . 5.800 3.963 3.963 3.963 . 0 0 "[ ]" 1
529 1 34 LYS HB3 1 35 SER HA 5.000 . 5.800 3.905 3.905 3.905 . 0 0 "[ ]" 1
530 1 22 ARG QG 1 35 SER HA 5.000 . 5.800 3.608 3.608 3.608 . 0 0 "[ ]" 1
531 1 36 ILE HA 1 36 ILE HB 3.000 . 3.400 2.398 2.398 2.398 . 0 0 "[ ]" 1
532 1 36 ILE MG 1 50 ARG QB 5.500 . 6.300 4.499 4.499 4.499 . 0 0 "[ ]" 1
533 1 36 ILE MD 1 47 VAL HA 5.500 . 6.300 5.062 5.062 5.062 . 0 0 "[ ]" 1
534 1 36 ILE HB 1 36 ILE MD 3.500 . 3.900 2.388 2.388 2.388 . 0 0 "[ ]" 1
535 1 21 ILE MD 1 36 ILE MD 5.500 . 6.300 2.400 2.400 2.400 . 0 0 "[ ]" 1
536 1 18 THR HA 1 39 THR HA 5.000 . 5.800 4.103 4.103 4.103 . 0 0 "[ ]" 1
537 1 18 THR HB 1 39 THR HA 5.000 . 5.800 5.380 5.380 5.380 . 0 0 "[ ]" 1
538 1 38 LEU QB 1 39 THR HA 5.000 . 5.800 4.585 4.585 4.585 . 0 0 "[ ]" 1
539 1 18 THR MG 1 39 THR HA 5.500 . 6.300 2.669 2.669 2.669 . 0 0 "[ ]" 1
540 1 39 THR HB 1 40 SER QB 5.000 . 5.800 4.865 4.865 4.865 . 0 0 "[ ]" 1
541 1 18 THR HA 1 39 THR MG 5.500 . 6.300 4.469 4.469 4.469 . 0 0 "[ ]" 1
542 1 40 SER HA 1 86 PHE QD 5.000 . 7.300 6.366 6.366 6.366 . 0 0 "[ ]" 1
543 1 40 SER HA 1 86 PHE QE 5.000 . 7.300 4.153 4.153 4.153 . 0 0 "[ ]" 1
544 1 17 ASP QB 1 40 SER HA 5.000 . 5.800 4.582 4.582 4.582 . 0 0 "[ ]" 1
545 1 39 THR MG 1 40 SER HA 5.500 . 6.300 4.127 4.127 4.127 . 0 0 "[ ]" 1
546 1 40 SER QB 1 87 TYR QE 5.000 . 7.300 1.906 1.906 1.906 . 0 0 "[ ]" 1
547 1 17 ASP QB 1 40 SER QB 5.000 . 5.800 2.301 2.301 2.301 . 0 0 "[ ]" 1
548 1 39 THR MG 1 40 SER QB 5.500 . 6.300 3.260 3.260 3.260 . 0 0 "[ ]" 1
549 1 41 GLN HA 1 86 PHE HZ 5.000 . 5.800 5.820 5.820 5.820 0.020 1 0 "[ ]" 1
550 1 41 GLN HA 1 87 TYR QD 5.000 . 7.300 4.257 4.257 4.257 . 0 0 "[ ]" 1
551 1 41 GLN HA 1 86 PHE QE 5.000 . 7.300 3.908 3.908 3.908 . 0 0 "[ ]" 1
552 1 41 GLN HA 1 84 ASN QB 5.000 . 5.800 4.296 4.296 4.296 . 0 0 "[ ]" 1
553 1 40 SER QB 1 41 GLN HA 5.000 . 5.800 4.590 4.590 4.590 . 0 0 "[ ]" 1
554 1 41 GLN HA 1 41 GLN QG 2.500 . 2.800 2.034 2.034 2.034 . 0 0 "[ ]" 1
555 1 41 GLN QB 1 87 TYR QD 5.000 . 7.300 5.056 5.056 5.056 . 0 0 "[ ]" 1
556 1 41 GLN QG 1 87 TYR QB 5.000 . 5.800 4.022 4.022 4.022 . 0 0 "[ ]" 1
557 1 42 ASP HA 1 43 LYS HA 5.000 . 5.800 4.558 4.558 4.558 . 0 0 "[ ]" 1
558 1 42 ASP HA 1 46 ALA MB 5.500 . 6.300 3.711 3.711 3.711 . 0 0 "[ ]" 1
559 1 43 LYS HA 1 44 THR HA 5.000 . 5.800 4.944 4.944 4.944 . 0 0 "[ ]" 1
560 1 43 LYS HA 1 43 LYS QE 5.000 . 5.800 4.020 4.020 4.020 . 0 0 "[ ]" 1
561 1 43 LYS HA 1 46 ALA MB 5.500 . 6.300 5.037 5.037 5.037 . 0 0 "[ ]" 1
562 1 21 ILE MG 1 43 LYS HA 5.500 . 6.300 5.057 5.057 5.057 . 0 0 "[ ]" 1
563 1 42 ASP HA 1 43 LYS QB 5.000 . 5.800 3.917 3.917 3.917 . 0 0 "[ ]" 1
564 1 43 LYS QG 1 84 ASN HA 5.000 . 5.800 3.043 3.043 3.043 . 0 0 "[ ]" 1
565 1 43 LYS QG 1 83 ALA HA 5.000 . 5.800 4.203 4.203 4.203 . 0 0 "[ ]" 1
566 1 43 LYS QG 1 44 THR HA 5.000 . 5.800 3.181 3.181 3.181 . 0 0 "[ ]" 1
567 1 43 LYS QE 1 43 LYS QG 2.500 . 2.800 2.141 2.141 2.141 . 0 0 "[ ]" 1
568 1 43 LYS QD 1 95 PHE QD 5.000 . 7.300 4.549 4.549 4.549 . 0 0 "[ ]" 1
569 1 43 LYS QD 1 84 ASN HA 5.000 . 5.800 4.225 4.225 4.225 . 0 0 "[ ]" 1
570 1 43 LYS QD 1 82 SER QB 5.000 . 5.800 3.305 3.305 3.305 . 0 0 "[ ]" 1
571 1 43 LYS QE 1 82 SER QB 4.000 . 4.600 1.912 1.912 1.912 . 0 0 "[ ]" 1
572 1 44 THR HA 1 45 PRO HA 5.000 . 5.800 4.413 4.413 4.413 . 0 0 "[ ]" 1
573 1 44 THR HA 1 47 VAL HB 5.000 . 5.800 4.980 4.980 4.980 . 0 0 "[ ]" 1
574 1 43 LYS QB 1 44 THR HA 5.000 . 5.800 4.203 4.203 4.203 . 0 0 "[ ]" 1
575 1 43 LYS QD 1 44 THR HA 5.000 . 5.800 4.413 4.413 4.413 . 0 0 "[ ]" 1
576 1 44 THR HA 1 47 VAL MG1 5.500 . 6.300 4.933 4.933 4.933 . 0 0 "[ ]" 1
577 1 44 THR HA 1 48 ILE MD 5.500 . 6.300 2.895 2.895 2.895 . 0 0 "[ ]" 1
578 1 44 THR HB 1 45 PRO QB 5.000 . 5.800 3.882 3.882 3.882 . 0 0 "[ ]" 1
579 1 44 THR HB 1 45 PRO QG 5.000 . 5.800 2.868 2.868 2.868 . 0 0 "[ ]" 1
580 1 44 THR HB 1 48 ILE MD 5.500 . 6.300 4.197 4.197 4.197 . 0 0 "[ ]" 1
581 1 44 THR MG 1 45 PRO QD 5.500 . 6.300 2.208 2.208 2.208 . 0 0 "[ ]" 1
582 1 44 THR MG 1 45 PRO QG 5.500 . 6.300 3.607 3.607 3.607 . 0 0 "[ ]" 1
583 1 45 PRO HA 1 46 ALA H 5.000 . 5.800 3.564 3.564 3.564 . 0 0 "[ ]" 1
584 1 45 PRO HA 1 48 ILE H 5.000 . 5.800 3.318 3.318 3.318 . 0 0 "[ ]" 1
585 1 45 PRO HA 1 45 PRO QD 3.000 . 3.400 2.826 2.826 2.826 . 0 0 "[ ]" 1
586 1 45 PRO HA 1 49 GLN QB 5.000 . 5.800 4.450 4.450 4.450 . 0 0 "[ ]" 1
587 1 44 THR MG 1 45 PRO HA 5.500 . 6.300 5.291 5.291 5.291 . 0 0 "[ ]" 1
588 1 45 PRO HA 1 48 ILE MG 5.500 . 6.300 3.050 3.050 3.050 . 0 0 "[ ]" 1
589 1 45 PRO QD 1 80 PRO HA 5.000 . 5.800 3.653 3.653 3.653 . 0 0 "[ ]" 1
590 1 45 PRO QD 1 81 ASP HA 5.000 . 5.800 2.572 2.572 2.572 . 0 0 "[ ]" 1
591 1 46 ALA HA 1 47 VAL HA 5.000 . 5.800 4.762 4.762 4.762 . 0 0 "[ ]" 1
592 1 46 ALA HA 1 49 GLN HB3 4.000 . 4.600 3.649 3.649 3.649 . 0 0 "[ ]" 1
593 1 45 PRO QB 1 46 ALA HA 5.000 . 5.800 3.947 3.947 3.947 . 0 0 "[ ]" 1
594 1 46 ALA HA 1 49 GLN HB2 4.000 . 4.600 4.143 4.143 4.143 . 0 0 "[ ]" 1
595 1 46 ALA HA 1 48 ILE HB 5.000 . 5.800 5.229 5.229 5.229 . 0 0 "[ ]" 1
596 1 46 ALA MB 1 47 VAL HA 5.500 . 6.300 3.788 3.788 3.788 . 0 0 "[ ]" 1
597 1 42 ASP QB 1 46 ALA MB 5.500 . 6.300 4.414 4.414 4.414 . 0 0 "[ ]" 1
598 1 46 ALA MB 1 49 GLN HB3 5.500 . 6.300 4.894 4.894 4.894 . 0 0 "[ ]" 1
599 1 46 ALA MB 1 47 VAL HB 5.500 . 6.300 3.441 3.441 3.441 . 0 0 "[ ]" 1
600 1 47 VAL HA 1 50 ARG QB 4.000 . 4.600 2.705 2.705 2.705 . 0 0 "[ ]" 1
601 1 47 VAL HA 1 50 ARG QG 5.000 . 5.800 1.867 1.867 1.867 . 0 0 "[ ]" 1
602 1 38 LEU QD 1 47 VAL HA 5.500 . 6.300 4.426 4.426 4.426 . 0 0 "[ ]" 1
603 1 38 LEU QD 1 47 VAL MG2 5.500 . 6.300 2.858 2.858 2.858 . 0 0 "[ ]" 1
604 1 48 ILE HA 1 49 GLN HA 5.000 . 5.800 4.744 4.744 4.744 . 0 0 "[ ]" 1
605 1 48 ILE HA 1 52 MET QG 5.000 . 5.800 3.347 3.347 3.347 . 0 0 "[ ]" 1
606 1 48 ILE HA 1 51 ALA MB 5.500 . 6.300 3.558 3.558 3.558 . 0 0 "[ ]" 1
607 1 48 ILE HA 1 48 ILE MD 4.500 . 5.100 3.819 3.819 3.819 . 0 0 "[ ]" 1
608 1 45 PRO HA 1 48 ILE HB 5.000 . 5.800 1.869 1.869 1.869 . 0 0 "[ ]" 1
609 1 45 PRO QD 1 48 ILE HB 5.000 . 5.800 4.213 4.213 4.213 . 0 0 "[ ]" 1
610 1 47 VAL HB 1 48 ILE HB 5.000 . 5.800 5.339 5.339 5.339 . 0 0 "[ ]" 1
611 1 45 PRO HA 1 49 GLN HA 5.000 . 5.800 5.812 5.812 5.812 0.012 1 0 "[ ]" 1
612 1 49 GLN HA 1 49 GLN HB2 2.500 . 2.800 2.509 2.509 2.509 . 0 0 "[ ]" 1
613 1 48 ILE MG 1 49 GLN HA 5.500 . 6.300 3.563 3.563 3.563 . 0 0 "[ ]" 1
614 1 49 GLN QB 1 50 ARG QG 4.000 . 4.600 3.124 3.124 3.124 . 0 0 "[ ]" 1
615 1 48 ILE MG 1 49 GLN QB 5.500 . 6.300 4.080 4.080 4.080 . 0 0 "[ ]" 1
616 1 49 GLN QG 1 50 ARG HA 5.000 . 5.800 3.852 3.852 3.852 . 0 0 "[ ]" 1
617 1 51 ALA HA 1 52 MET QG 5.000 . 5.800 4.699 4.699 4.699 . 0 0 "[ ]" 1
618 1 50 ARG QB 1 51 ALA HA 4.000 . 4.600 4.017 4.017 4.017 . 0 0 "[ ]" 1
619 1 51 ALA HA 1 54 LYS HB2 5.000 . 5.800 4.081 4.081 4.081 . 0 0 "[ ]" 1
620 1 33 TYR QE 1 51 ALA MB 5.500 . 7.800 5.668 5.668 5.668 . 0 0 "[ ]" 1
621 1 51 ALA MB 1 52 MET HA 5.500 . 6.300 3.854 3.854 3.854 . 0 0 "[ ]" 1
622 1 34 LYS QE 1 51 ALA MB 5.500 . 6.300 4.102 4.102 4.102 . 0 0 "[ ]" 1
623 1 51 ALA MB 1 52 MET QG 5.500 . 6.300 2.715 2.715 2.715 . 0 0 "[ ]" 1
624 1 23 ILE HB 1 51 ALA MB 5.500 . 6.300 1.790 1.790 1.790 0.010 1 0 "[ ]" 1
625 1 23 ILE QG 1 51 ALA MB 5.500 . 6.300 3.060 3.060 3.060 . 0 0 "[ ]" 1
626 1 34 LYS QD 1 51 ALA MB 5.500 . 6.300 3.734 3.734 3.734 . 0 0 "[ ]" 1
627 1 23 ILE MG 1 51 ALA MB 5.500 . 6.300 1.762 1.762 1.762 0.038 1 0 "[ ]" 1
628 1 23 ILE MD 1 51 ALA MB 5.500 . 6.300 2.790 2.790 2.790 . 0 0 "[ ]" 1
629 1 47 VAL MG1 1 51 ALA MB 5.500 . 6.300 3.515 3.515 3.515 . 0 0 "[ ]" 1
630 1 52 MET HA 1 53 SER HA 5.000 . 5.800 4.867 4.867 4.867 . 0 0 "[ ]" 1
631 1 52 MET HA 1 55 HIS HB2 5.000 . 5.800 4.090 4.090 4.090 . 0 0 "[ ]" 1
632 1 52 MET HA 1 55 HIS HB3 5.000 . 5.800 4.575 4.575 4.575 . 0 0 "[ ]" 1
633 1 52 MET HA 1 57 LEU HB2 5.000 . 5.800 5.011 5.011 5.011 . 0 0 "[ ]" 1
634 1 52 MET HA 1 57 LEU QD 5.500 . 6.300 1.646 1.646 1.646 0.154 1 0 "[ ]" 1
635 1 53 SER HA 1 53 SER QB 2.500 . 2.800 2.553 2.553 2.553 . 0 0 "[ ]" 1
636 1 53 SER HA 1 56 ASN HB3 5.000 . 5.800 5.858 5.858 5.858 0.058 1 0 "[ ]" 1
637 1 53 SER HA 1 57 LEU QD 5.500 . 6.300 4.130 4.130 4.130 . 0 0 "[ ]" 1
638 1 54 LYS HA 1 56 ASN HA 5.000 . 5.800 5.924 5.924 5.924 0.124 1 0 "[ ]" 1
639 1 54 LYS HA 1 55 HIS HA 4.000 . 4.600 4.720 4.720 4.720 0.120 1 0 "[ ]" 1
640 1 53 SER QB 1 54 LYS HA 4.000 . 4.600 3.860 3.860 3.860 . 0 0 "[ ]" 1
641 1 54 LYS HA 1 54 LYS QE 4.000 . 4.600 4.088 4.088 4.088 . 0 0 "[ ]" 1
642 1 54 LYS HA 1 54 LYS QB 2.500 . 2.800 2.314 2.314 2.314 . 0 0 "[ ]" 1
643 1 34 LYS QE 1 54 LYS QB 5.000 . 5.800 3.898 3.898 3.898 . 0 0 "[ ]" 1
644 1 34 LYS QD 1 54 LYS QB 5.000 . 5.800 4.312 4.312 4.312 . 0 0 "[ ]" 1
645 1 34 LYS QG 1 54 LYS QB 5.000 . 5.800 3.689 3.689 3.689 . 0 0 "[ ]" 1
646 1 54 LYS QE 1 54 LYS QG 2.500 . 2.800 2.152 2.152 2.152 . 0 0 "[ ]" 1
647 1 34 LYS QD 1 54 LYS QE 4.000 . 4.600 3.493 3.493 3.493 . 0 0 "[ ]" 1
648 1 55 HIS HA 1 55 HIS HD2 5.000 . 5.800 2.816 2.816 2.816 . 0 0 "[ ]" 1
649 1 55 HIS HA 1 57 LEU QD 5.500 . 6.300 4.170 4.170 4.170 . 0 0 "[ ]" 1
650 1 33 TYR QD 1 55 HIS HB2 5.000 . 7.300 2.714 2.714 2.714 . 0 0 "[ ]" 1
651 1 55 HIS HB2 1 57 LEU QD 5.500 . 6.300 2.504 2.504 2.504 . 0 0 "[ ]" 1
652 1 55 HIS HB3 1 57 LEU QB 5.000 . 5.800 4.188 4.188 4.188 . 0 0 "[ ]" 1
653 1 55 HIS HB3 1 57 LEU QD 5.500 . 6.300 2.078 2.078 2.078 . 0 0 "[ ]" 1
654 1 56 ASN HA 1 56 ASN HB2 3.000 . 3.400 2.617 2.617 2.617 . 0 0 "[ ]" 1
655 1 56 ASN HA 1 56 ASN HB3 3.000 . 3.400 2.355 2.355 2.355 . 0 0 "[ ]" 1
656 1 56 ASN HA 1 57 LEU QD 5.500 . 6.300 3.308 3.308 3.308 . 0 0 "[ ]" 1
657 1 55 HIS HD2 1 56 ASN HB2 5.000 . 5.800 5.844 5.844 5.844 0.044 1 0 "[ ]" 1
658 1 56 ASN HB2 1 57 LEU HA 5.000 . 5.800 4.522 4.522 4.522 . 0 0 "[ ]" 1
659 1 56 ASN HB2 1 57 LEU QD 5.500 . 6.300 4.339 4.339 4.339 . 0 0 "[ ]" 1
660 1 55 HIS HD2 1 56 ASN HB3 5.000 . 5.800 5.251 5.251 5.251 . 0 0 "[ ]" 1
661 1 55 HIS HA 1 56 ASN HB3 5.000 . 5.800 4.525 4.525 4.525 . 0 0 "[ ]" 1
662 1 57 LEU HA 1 58 GLU HA 5.000 . 5.800 4.435 4.435 4.435 . 0 0 "[ ]" 1
663 1 26 GLU QG 1 57 LEU HA 5.000 . 5.800 3.975 3.975 3.975 . 0 0 "[ ]" 1
664 1 57 LEU HA 1 58 GLU HB2 5.000 . 5.800 4.715 4.715 4.715 . 0 0 "[ ]" 1
665 1 57 LEU HA 1 57 LEU HB2 3.000 . 3.400 2.556 2.556 2.556 . 0 0 "[ ]" 1
666 1 33 TYR QE 1 57 LEU HB2 5.000 . 7.300 4.895 4.895 4.895 . 0 0 "[ ]" 1
667 1 26 GLU QG 1 57 LEU HB2 5.000 . 5.800 2.159 2.159 2.159 . 0 0 "[ ]" 1
668 1 26 GLU QB 1 57 LEU HB2 4.000 . 4.600 4.185 4.185 4.185 . 0 0 "[ ]" 1
669 1 26 GLU QG 1 57 LEU HB3 5.000 . 5.800 2.181 2.181 2.181 . 0 0 "[ ]" 1
670 1 26 GLU QB 1 57 LEU HB3 5.000 . 5.800 4.095 4.095 4.095 . 0 0 "[ ]" 1
671 1 58 GLU HA 1 59 SER QB 5.000 . 5.800 4.028 4.028 4.028 . 0 0 "[ ]" 1
672 1 58 GLU HA 1 58 GLU QG 2.500 . 2.800 2.223 2.223 2.223 . 0 0 "[ ]" 1
673 1 58 GLU HA 1 58 GLU HB2 2.500 . 2.800 2.836 2.836 2.836 0.036 1 0 "[ ]" 1
674 1 58 GLU HA 1 58 GLU HB3 2.500 . 2.800 2.853 2.853 2.853 0.053 1 0 "[ ]" 1
675 1 57 LEU QD 1 58 GLU HA 5.500 . 6.300 3.726 3.726 3.726 . 0 0 "[ ]" 1
676 1 58 GLU HB2 1 65 TYR QE 5.000 . 7.300 4.648 4.648 4.648 . 0 0 "[ ]" 1
677 1 58 GLU HB2 1 101 LYS QE 5.000 . 5.800 2.708 2.708 2.708 . 0 0 "[ ]" 1
678 1 57 LEU HB3 1 58 GLU HB2 5.000 . 5.800 4.981 4.981 4.981 . 0 0 "[ ]" 1
679 1 58 GLU HB2 1 101 LYS QD 5.000 . 5.800 3.229 3.229 3.229 . 0 0 "[ ]" 1
680 1 58 GLU HB3 1 65 TYR QE 5.000 . 7.300 3.010 3.010 3.010 . 0 0 "[ ]" 1
681 1 57 LEU HA 1 58 GLU HB3 5.000 . 5.800 5.871 5.871 5.871 0.071 1 0 "[ ]" 1
682 1 58 GLU HB3 1 101 LYS QE 5.000 . 5.800 4.093 4.093 4.093 . 0 0 "[ ]" 1
683 1 57 LEU QB 1 58 GLU HB3 5.000 . 5.800 4.483 4.483 4.483 . 0 0 "[ ]" 1
684 1 58 GLU HB3 1 101 LYS QD 5.000 . 5.800 3.725 3.725 3.725 . 0 0 "[ ]" 1
685 1 57 LEU QD 1 58 GLU HB3 5.500 . 6.300 3.328 3.328 3.328 . 0 0 "[ ]" 1
686 1 59 SER HA 1 60 ASP HA 4.000 . 4.600 4.522 4.522 4.522 . 0 0 "[ ]" 1
687 1 58 GLU HA 1 59 SER HA 4.000 . 4.600 4.532 4.532 4.532 . 0 0 "[ ]" 1
688 1 59 SER HA 1 59 SER QB 2.500 . 2.800 2.201 2.201 2.201 . 0 0 "[ ]" 1
689 1 59 SER HA 1 60 ASP HB2 5.000 . 5.800 5.528 5.528 5.528 . 0 0 "[ ]" 1
690 1 59 SER HA 1 60 ASP HB3 5.000 . 5.800 5.604 5.604 5.604 . 0 0 "[ ]" 1
691 1 58 GLU QG 1 59 SER HA 5.000 . 5.800 5.083 5.083 5.083 . 0 0 "[ ]" 1
692 1 52 MET QB 1 59 SER HA 5.000 . 5.800 2.736 2.736 2.736 . 0 0 "[ ]" 1
693 1 52 MET ME 1 59 SER HA 4.500 . 5.100 1.807 1.807 1.807 . 0 0 "[ ]" 1
694 1 52 MET QB 1 59 SER QB 4.000 . 4.600 3.737 3.737 3.737 . 0 0 "[ ]" 1
695 1 52 MET ME 1 59 SER QB 5.500 . 6.300 3.322 3.322 3.322 . 0 0 "[ ]" 1
696 1 60 ASP HA 1 61 PRO HA 5.000 . 5.800 4.430 4.430 4.430 . 0 0 "[ ]" 1
697 1 60 ASP HA 1 80 PRO QD 5.000 . 5.800 5.080 5.080 5.080 . 0 0 "[ ]" 1
698 1 60 ASP HA 1 60 ASP HB2 3.000 . 3.400 2.855 2.855 2.855 . 0 0 "[ ]" 1
699 1 60 ASP HA 1 60 ASP HB3 3.000 . 3.400 2.241 2.241 2.241 . 0 0 "[ ]" 1
700 1 60 ASP HA 1 61 PRO QG 5.000 . 5.800 3.730 3.730 3.730 . 0 0 "[ ]" 1
701 1 60 ASP HA 1 62 ALA MB 5.500 . 6.300 4.618 4.618 4.618 . 0 0 "[ ]" 1
702 1 60 ASP HB2 1 65 TYR QE 5.000 . 7.300 4.453 4.453 4.453 . 0 0 "[ ]" 1
703 1 60 ASP HB2 1 61 PRO QD 5.000 . 5.800 3.561 3.561 3.561 . 0 0 "[ ]" 1
704 1 60 ASP HB2 1 61 PRO QG 5.000 . 5.800 5.312 5.312 5.312 . 0 0 "[ ]" 1
705 1 60 ASP HB2 1 62 ALA MB 5.500 . 6.300 2.706 2.706 2.706 . 0 0 "[ ]" 1
706 1 60 ASP HB3 1 65 TYR QE 5.000 . 7.300 5.318 5.318 5.318 . 0 0 "[ ]" 1
707 1 60 ASP HB3 1 62 ALA H 5.000 . 5.800 3.757 3.757 3.757 . 0 0 "[ ]" 1
708 1 60 ASP HB3 1 61 PRO QD 4.000 . 4.600 3.219 3.219 3.219 . 0 0 "[ ]" 1
709 1 60 ASP HB3 1 61 PRO QG 5.000 . 5.800 5.176 5.176 5.176 . 0 0 "[ ]" 1
710 1 60 ASP HB3 1 62 ALA MB 5.500 . 6.300 3.653 3.653 3.653 . 0 0 "[ ]" 1
711 1 61 PRO HA 1 62 ALA HA 5.000 . 5.800 4.845 4.845 4.845 . 0 0 "[ ]" 1
712 1 61 PRO HA 1 80 PRO QD 4.000 . 4.600 3.677 3.677 3.677 . 0 0 "[ ]" 1
713 1 60 ASP HB2 1 61 PRO HA 5.000 . 5.800 4.694 4.694 4.694 . 0 0 "[ ]" 1
714 1 61 PRO HA 1 80 PRO QB 5.000 . 5.800 5.032 5.032 5.032 . 0 0 "[ ]" 1
715 1 61 PRO HA 1 62 ALA MB 4.500 . 5.100 4.371 4.371 4.371 . 0 0 "[ ]" 1
716 1 60 ASP HA 1 61 PRO QB 5.000 . 5.800 4.540 4.540 4.540 . 0 0 "[ ]" 1
717 1 61 PRO QB 1 62 ALA HA 5.000 . 5.800 4.594 4.594 4.594 . 0 0 "[ ]" 1
718 1 61 PRO QB 1 80 PRO QD 5.000 . 5.800 1.822 1.822 1.822 . 0 0 "[ ]" 1
719 1 60 ASP HA 1 61 PRO QD 3.000 . 3.400 1.787 1.787 1.787 0.013 1 0 "[ ]" 1
720 1 61 PRO QD 1 80 PRO QB 5.000 . 5.800 1.754 1.754 1.754 0.046 1 0 "[ ]" 1
721 1 62 ALA HA 1 65 TYR QE 5.000 . 7.300 6.504 6.504 6.504 . 0 0 "[ ]" 1
722 1 62 ALA HA 1 65 TYR QD 5.000 . 7.300 6.741 6.741 6.741 . 0 0 "[ ]" 1
723 1 60 ASP HB2 1 62 ALA HA 5.000 . 5.800 4.734 4.734 4.734 . 0 0 "[ ]" 1
724 1 62 ALA HA 1 80 PRO QD 5.000 . 5.800 2.806 2.806 2.806 . 0 0 "[ ]" 1
725 1 62 ALA HA 1 63 GLU QG 5.000 . 5.800 4.045 4.045 4.045 . 0 0 "[ ]" 1
726 1 62 ALA HA 1 63 GLU QB 5.000 . 5.800 5.098 5.098 5.098 . 0 0 "[ ]" 1
727 1 61 PRO QG 1 62 ALA HA 5.000 . 5.800 4.746 4.746 4.746 . 0 0 "[ ]" 1
728 1 62 ALA MB 1 65 TYR QE 5.500 . 7.800 5.169 5.169 5.169 . 0 0 "[ ]" 1
729 1 62 ALA MB 1 65 TYR QD 5.500 . 7.800 5.199 5.199 5.199 . 0 0 "[ ]" 1
730 1 62 ALA MB 1 63 GLU QG 4.500 . 5.100 2.991 2.991 2.991 . 0 0 "[ ]" 1
731 1 62 ALA MB 1 63 GLU QB 4.500 . 5.100 3.384 3.384 3.384 . 0 0 "[ ]" 1
732 1 62 ALA MB 1 64 GLU QB 5.500 . 6.300 3.742 3.742 3.742 . 0 0 "[ ]" 1
733 1 63 GLU HA 1 63 GLU QG 2.500 . 2.800 2.227 2.227 2.227 . 0 0 "[ ]" 1
734 1 62 ALA MB 1 63 GLU HA 5.500 . 6.300 4.056 4.056 4.056 . 0 0 "[ ]" 1
735 1 64 GLU HA 1 65 TYR QD 5.000 . 7.300 5.196 5.196 5.196 . 0 0 "[ ]" 1
736 1 64 GLU HA 1 65 TYR HA 5.000 . 5.800 4.602 4.602 4.602 . 0 0 "[ ]" 1
737 1 64 GLU HA 1 65 TYR QB 5.000 . 5.800 4.420 4.420 4.420 . 0 0 "[ ]" 1
738 1 64 GLU HA 1 103 ASN HB2 5.000 . 5.800 5.799 5.799 5.799 . 0 0 "[ ]" 1
739 1 64 GLU HA 1 64 GLU QG 2.500 . 2.800 2.212 2.212 2.212 . 0 0 "[ ]" 1
740 1 64 GLU HA 1 102 LYS QB 4.000 . 4.600 3.916 3.916 3.916 . 0 0 "[ ]" 1
741 1 64 GLU QG 1 65 TYR QD 5.000 . 7.300 3.525 3.525 3.525 . 0 0 "[ ]" 1
742 1 64 GLU QG 1 65 TYR QB 4.000 . 4.600 3.386 3.386 3.386 . 0 0 "[ ]" 1
743 1 64 GLU QG 1 101 LYS QD 4.000 . 4.600 3.494 3.494 3.494 . 0 0 "[ ]" 1
744 1 65 TYR HA 1 65 TYR QE 5.000 . 7.300 5.534 5.534 5.534 . 0 0 "[ ]" 1
745 1 64 GLU QB 1 65 TYR HA 5.000 . 5.800 4.336 4.336 4.336 . 0 0 "[ ]" 1
746 1 65 TYR HA 1 102 LYS QG 5.000 . 5.800 1.814 1.814 1.814 . 0 0 "[ ]" 1
747 1 65 TYR HA 1 101 LYS QG 5.000 . 5.800 4.639 4.639 4.639 . 0 0 "[ ]" 1
748 1 65 TYR QB 1 65 TYR QE 4.000 . 6.100 3.956 3.956 3.956 . 0 0 "[ ]" 1
749 1 65 TYR QB 1 101 LYS HA 4.000 . 4.600 1.783 1.783 1.783 0.017 1 0 "[ ]" 1
750 1 64 GLU QB 1 65 TYR QB 4.000 . 4.600 2.995 2.995 2.995 . 0 0 "[ ]" 1
751 1 65 TYR QB 1 101 LYS QG 4.000 . 4.600 3.305 3.305 3.305 . 0 0 "[ ]" 1
752 1 65 TYR HA 1 66 GLU HA 5.000 . 5.800 4.491 4.491 4.491 . 0 0 "[ ]" 1
753 1 66 GLU HA 1 79 ILE MD 4.500 . 5.100 3.996 3.996 3.996 . 0 0 "[ ]" 1
754 1 66 GLU HA 1 67 LEU MD2 5.500 . 6.300 2.747 2.747 2.747 . 0 0 "[ ]" 1
755 1 67 LEU HA 1 99 LEU HA 5.000 . 5.800 1.866 1.866 1.866 . 0 0 "[ ]" 1
756 1 67 LEU HA 1 67 LEU HG 4.000 . 4.600 3.541 3.541 3.541 . 0 0 "[ ]" 1
757 1 67 LEU QB 1 99 LEU QB 5.000 . 5.800 2.360 2.360 2.360 . 0 0 "[ ]" 1
758 1 48 ILE QG 1 67 LEU MD1 5.500 . 6.300 3.476 3.476 3.476 . 0 0 "[ ]" 1
759 1 48 ILE MD 1 67 LEU MD1 5.500 . 6.300 3.648 3.648 3.648 . 0 0 "[ ]" 1
760 1 68 VAL HA 1 78 VAL HA 5.000 . 5.800 2.693 2.693 2.693 . 0 0 "[ ]" 1
761 1 68 VAL HA 1 69 GLN HB2 5.000 . 5.800 4.465 4.465 4.465 . 0 0 "[ ]" 1
762 1 68 VAL HA 1 78 VAL MG2 5.500 . 6.300 2.630 2.630 2.630 . 0 0 "[ ]" 1
763 1 68 VAL HB 1 69 GLN HA 5.000 . 5.800 5.203 5.203 5.203 . 0 0 "[ ]" 1
764 1 68 VAL HB 1 98 ILE QG 5.000 . 5.800 5.226 5.226 5.226 . 0 0 "[ ]" 1
765 1 67 LEU HA 1 68 VAL MG2 5.500 . 6.300 3.398 3.398 3.398 . 0 0 "[ ]" 1
766 1 69 GLN HA 1 97 PHE QE 5.000 . 7.300 3.583 3.583 3.583 . 0 0 "[ ]" 1
767 1 69 GLN HA 1 97 PHE QD 5.000 . 7.300 1.871 1.871 1.871 . 0 0 "[ ]" 1
768 1 69 GLN HA 1 97 PHE HA 5.000 . 5.800 2.234 2.234 2.234 . 0 0 "[ ]" 1
769 1 70 VAL HA 1 76 GLU HA 5.000 . 5.800 3.596 3.596 3.596 . 0 0 "[ ]" 1
770 1 70 VAL HA 1 76 GLU HB2 5.000 . 5.800 4.125 4.125 4.125 . 0 0 "[ ]" 1
771 1 69 GLN HA 1 70 VAL HB 5.000 . 5.800 4.409 4.409 4.409 . 0 0 "[ ]" 1
772 1 71 ILE HA 1 93 VAL HB 5.000 . 5.800 5.806 5.806 5.806 0.006 1 0 "[ ]" 1
773 1 71 ILE HA 1 93 VAL QG 4.500 . 5.100 3.005 3.005 3.005 . 0 0 "[ ]" 1
774 1 71 ILE HA 1 71 ILE MD 4.500 . 5.100 1.876 1.876 1.876 . 0 0 "[ ]" 1
775 1 71 ILE HB 1 75 LYS QB 4.000 . 4.600 2.216 2.216 2.216 . 0 0 "[ ]" 1
776 1 71 ILE HB 1 75 LYS QD 5.000 . 5.800 3.708 3.708 3.708 . 0 0 "[ ]" 1
777 1 71 ILE MG 1 72 SER HA 5.500 . 6.300 3.867 3.867 3.867 . 0 0 "[ ]" 1
778 1 71 ILE MG 1 75 LYS QB 5.500 . 6.300 2.116 2.116 2.116 . 0 0 "[ ]" 1
779 1 71 ILE MG 1 75 LYS QD 5.500 . 6.300 2.254 2.254 2.254 . 0 0 "[ ]" 1
780 1 71 ILE MD 1 95 PHE QD 5.500 . 7.800 2.677 2.677 2.677 . 0 0 "[ ]" 1
781 1 71 ILE MD 1 95 PHE HZ 4.500 . 5.100 3.271 3.271 3.271 . 0 0 "[ ]" 1
782 1 71 ILE MD 1 75 LYS QD 4.500 . 5.100 3.742 3.742 3.742 . 0 0 "[ ]" 1
783 1 72 SER HA 1 73 GLU QG 4.000 . 4.600 4.181 4.181 4.181 . 0 0 "[ ]" 1
784 1 72 SER HA 1 73 GLU QB 5.000 . 5.800 4.467 4.467 4.467 . 0 0 "[ ]" 1
785 1 72 SER QB 1 73 GLU QG 5.000 . 5.800 2.826 2.826 2.826 . 0 0 "[ ]" 1
786 1 72 SER QB 1 73 GLU QB 5.000 . 5.800 3.398 3.398 3.398 . 0 0 "[ ]" 1
787 1 71 ILE MG 1 72 SER QB 5.500 . 6.300 2.427 2.427 2.427 . 0 0 "[ ]" 1
788 1 72 SER HA 1 73 GLU HA 5.000 . 5.800 4.591 4.591 4.591 . 0 0 "[ ]" 1
789 1 73 GLU HA 1 74 ASP QB 5.000 . 5.800 4.447 4.447 4.447 . 0 0 "[ ]" 1
790 1 73 GLU HA 1 73 GLU QB 2.500 . 2.800 2.392 2.392 2.392 . 0 0 "[ ]" 1
791 1 73 GLU QB 1 74 ASP QB 5.000 . 5.800 3.180 3.180 3.180 . 0 0 "[ ]" 1
792 1 71 ILE MG 1 73 GLU QB 5.500 . 6.300 4.202 4.202 4.202 . 0 0 "[ ]" 1
793 1 73 GLU HA 1 74 ASP HA 4.000 . 4.600 4.654 4.654 4.654 0.054 1 0 "[ ]" 1
794 1 74 ASP HA 1 74 ASP QB 2.500 . 2.800 2.525 2.525 2.525 . 0 0 "[ ]" 1
795 1 74 ASP QB 1 75 LYS HA 5.000 . 5.800 4.292 4.292 4.292 . 0 0 "[ ]" 1
796 1 75 LYS HA 1 76 GLU QG 5.000 . 5.800 3.843 3.843 3.843 . 0 0 "[ ]" 1
797 1 75 LYS HA 1 76 GLU HB3 5.000 . 5.800 5.148 5.148 5.148 . 0 0 "[ ]" 1
798 1 71 ILE QG 1 75 LYS QB 4.000 . 4.600 2.790 2.790 2.790 . 0 0 "[ ]" 1
799 1 71 ILE MD 1 75 LYS QB 5.500 . 6.300 4.019 4.019 4.019 . 0 0 "[ ]" 1
800 1 71 ILE HA 1 76 GLU HA 5.000 . 5.800 5.802 5.802 5.802 0.002 1 0 "[ ]" 1
801 1 75 LYS QG 1 76 GLU HA 5.000 . 5.800 4.811 4.811 4.811 . 0 0 "[ ]" 1
802 1 71 ILE QG 1 76 GLU HA 5.000 . 5.800 3.463 3.463 3.463 . 0 0 "[ ]" 1
803 1 70 VAL QG 1 76 GLU HA 5.500 . 6.300 4.484 4.484 4.484 . 0 0 "[ ]" 1
804 1 71 ILE MG 1 76 GLU HA 5.500 . 6.300 5.150 5.150 5.150 . 0 0 "[ ]" 1
805 1 69 GLN HB2 1 78 VAL HA 5.000 . 5.800 5.408 5.408 5.408 . 0 0 "[ ]" 1
806 1 78 VAL HB 1 79 ILE HB 4.000 . 4.600 3.515 3.515 3.515 . 0 0 "[ ]" 1
807 1 68 VAL HA 1 78 VAL HB 5.000 . 5.800 5.048 5.048 5.048 . 0 0 "[ ]" 1
808 1 68 VAL HA 1 78 VAL MG1 5.500 . 6.300 3.180 3.180 3.180 . 0 0 "[ ]" 1
809 1 78 VAL MG2 1 79 ILE HB 5.500 . 6.300 4.914 4.914 4.914 . 0 0 "[ ]" 1
810 1 65 TYR QD 1 79 ILE HA 5.000 . 7.300 6.428 6.428 6.428 . 0 0 "[ ]" 1
811 1 79 ILE HA 1 79 ILE QG 2.500 . 2.800 2.093 2.093 2.093 . 0 0 "[ ]" 1
812 1 67 LEU MD1 1 79 ILE HA 5.500 . 6.300 4.474 4.474 4.474 . 0 0 "[ ]" 1
813 1 79 ILE HA 1 80 PRO HA 5.000 . 5.800 4.384 4.384 4.384 . 0 0 "[ ]" 1
814 1 61 PRO QD 1 80 PRO HA 4.000 . 4.600 3.750 3.750 3.750 . 0 0 "[ ]" 1
815 1 80 PRO HA 1 81 ASP HB2 4.000 . 4.600 4.445 4.445 4.445 . 0 0 "[ ]" 1
816 1 61 PRO QB 1 80 PRO HA 4.000 . 4.600 4.130 4.130 4.130 . 0 0 "[ ]" 1
817 1 61 PRO QG 1 80 PRO HA 3.000 . 3.400 2.460 2.460 2.460 . 0 0 "[ ]" 1
818 1 48 ILE QG 1 80 PRO HA 5.000 . 5.800 3.826 3.826 3.826 . 0 0 "[ ]" 1
819 1 48 ILE MD 1 80 PRO HA 5.500 . 6.300 2.110 2.110 2.110 . 0 0 "[ ]" 1
820 1 79 ILE MG 1 80 PRO QB 5.500 . 6.300 3.719 3.719 3.719 . 0 0 "[ ]" 1
821 1 79 ILE HA 1 80 PRO QG 4.000 . 4.600 3.933 3.933 3.933 . 0 0 "[ ]" 1
822 1 79 ILE HB 1 80 PRO QG 5.000 . 5.800 5.180 5.180 5.180 . 0 0 "[ ]" 1
823 1 79 ILE QG 1 80 PRO QG 5.000 . 5.800 4.547 4.547 4.547 . 0 0 "[ ]" 1
824 1 79 ILE QG 1 80 PRO QD 5.000 . 5.800 2.917 2.917 2.917 . 0 0 "[ ]" 1
825 1 44 THR HB 1 81 ASP HA 3.000 . 3.400 3.581 3.581 3.581 0.181 1 0 "[ ]" 1
826 1 44 THR HA 1 81 ASP HA 5.000 . 5.800 3.723 3.723 3.723 . 0 0 "[ ]" 1
827 1 81 ASP HA 1 81 ASP QB 2.500 . 2.800 2.546 2.546 2.546 . 0 0 "[ ]" 1
828 1 44 THR MG 1 81 ASP HA 5.500 . 6.300 1.835 1.835 1.835 . 0 0 "[ ]" 1
829 1 81 ASP QB 1 82 SER QB 5.000 . 5.800 4.600 4.600 4.600 . 0 0 "[ ]" 1
830 1 44 THR HA 1 81 ASP QB 5.000 . 5.800 5.077 5.077 5.077 . 0 0 "[ ]" 1
831 1 44 THR MG 1 81 ASP QB 5.500 . 6.300 3.566 3.566 3.566 . 0 0 "[ ]" 1
832 1 81 ASP HA 1 82 SER HA 4.000 . 4.600 4.759 4.759 4.759 0.159 1 0 "[ ]" 1
833 1 82 SER HA 1 82 SER QB 2.500 . 2.800 2.551 2.551 2.551 . 0 0 "[ ]" 1
834 1 44 THR HA 1 82 SER HA 5.000 . 5.800 5.043 5.043 5.043 . 0 0 "[ ]" 1
835 1 43 LYS QE 1 82 SER HA 5.000 . 5.800 4.549 4.549 4.549 . 0 0 "[ ]" 1
836 1 81 ASP QB 1 82 SER HA 4.000 . 4.600 4.033 4.033 4.033 . 0 0 "[ ]" 1
837 1 43 LYS QG 1 82 SER HA 4.000 . 4.600 3.980 3.980 3.980 . 0 0 "[ ]" 1
838 1 82 SER HA 1 83 ALA MB 5.500 . 6.300 3.949 3.949 3.949 . 0 0 "[ ]" 1
839 1 77 LEU QD 1 82 SER HA 5.500 . 6.300 4.004 4.004 4.004 . 0 0 "[ ]" 1
840 1 44 THR HA 1 82 SER QB 5.000 . 5.800 3.550 3.550 3.550 . 0 0 "[ ]" 1
841 1 43 LYS QB 1 82 SER QB 4.000 . 4.600 3.432 3.432 3.432 . 0 0 "[ ]" 1
842 1 43 LYS QG 1 82 SER QB 5.000 . 5.800 1.712 1.712 1.712 0.088 1 0 "[ ]" 1
843 1 83 ALA HA 1 84 ASN QB 5.000 . 5.800 3.603 3.603 3.603 . 0 0 "[ ]" 1
844 1 83 ALA HA 1 85 VAL QG 5.500 . 6.300 4.170 4.170 4.170 . 0 0 "[ ]" 1
845 1 83 ALA MB 1 84 ASN HA 5.500 . 6.300 5.108 5.108 5.108 . 0 0 "[ ]" 1
846 1 83 ALA MB 1 84 ASN QB 5.500 . 6.300 3.550 3.550 3.550 . 0 0 "[ ]" 1
847 1 43 LYS HA 1 84 ASN HA 5.000 . 5.800 4.865 4.865 4.865 . 0 0 "[ ]" 1
848 1 83 ALA HA 1 84 ASN HA 5.000 . 5.800 4.723 4.723 4.723 . 0 0 "[ ]" 1
849 1 43 LYS QB 1 84 ASN HA 4.000 . 4.600 2.291 2.291 2.291 . 0 0 "[ ]" 1
850 1 43 LYS QB 1 84 ASN QB 5.000 . 5.800 3.591 3.591 3.591 . 0 0 "[ ]" 1
851 1 43 LYS QG 1 84 ASN QB 5.000 . 5.800 4.613 4.613 4.613 . 0 0 "[ ]" 1
852 1 85 VAL HA 1 88 ALA HA 5.000 . 5.800 5.691 5.691 5.691 . 0 0 "[ ]" 1
853 1 85 VAL HA 1 88 ALA MB 5.500 . 6.300 3.187 3.187 3.187 . 0 0 "[ ]" 1
854 1 83 ALA HA 1 85 VAL MG2 5.500 . 6.300 4.829 4.829 4.829 . 0 0 "[ ]" 1
855 1 77 LEU MD1 1 85 VAL MG2 5.500 . 6.300 1.603 1.603 1.603 0.197 1 0 "[ ]" 1
856 1 77 LEU MD2 1 85 VAL MG2 5.500 . 6.300 1.809 1.809 1.809 . 0 0 "[ ]" 1
857 1 84 ASN QB 1 85 VAL MG2 5.500 . 6.300 4.586 4.586 4.586 . 0 0 "[ ]" 1
858 1 86 PHE HA 1 86 PHE QE 5.000 . 7.300 5.239 5.239 5.239 . 0 0 "[ ]" 1
859 1 87 TYR HA 1 87 TYR QE 4.000 . 6.100 4.174 4.174 4.174 . 0 0 "[ ]" 1
860 1 87 TYR HA 1 87 TYR QD 2.500 . 4.300 2.373 2.373 2.373 . 0 0 "[ ]" 1
861 1 87 TYR HA 1 88 ALA HA 5.000 . 5.800 5.023 5.023 5.023 . 0 0 "[ ]" 1
862 1 87 TYR HA 1 88 ALA MB 5.500 . 6.300 4.741 4.741 4.741 . 0 0 "[ ]" 1
863 1 87 TYR QB 1 88 ALA HA 5.000 . 5.800 3.980 3.980 3.980 . 0 0 "[ ]" 1
864 1 87 TYR QB 1 88 ALA MB 5.500 . 6.300 4.317 4.317 4.317 . 0 0 "[ ]" 1
865 1 87 TYR QD 1 88 ALA HA 5.000 . 7.300 4.873 4.873 4.873 . 0 0 "[ ]" 1
866 1 88 ALA HA 1 89 MET HA 5.000 . 5.800 4.576 4.576 4.576 . 0 0 "[ ]" 1
867 1 87 TYR QD 1 88 ALA MB 5.500 . 7.800 5.322 5.322 5.322 . 0 0 "[ ]" 1
868 1 88 ALA MB 1 90 ASN QD 5.500 . 6.300 4.445 4.445 4.445 . 0 0 "[ ]" 1
869 1 88 ALA MB 1 89 MET HA 5.500 . 6.300 4.107 4.107 4.107 . 0 0 "[ ]" 1
870 1 88 ALA MB 1 89 MET QG 5.500 . 6.300 2.204 2.204 2.204 . 0 0 "[ ]" 1
871 1 89 MET HA 1 90 ASN QB 5.000 . 5.800 4.282 4.282 4.282 . 0 0 "[ ]" 1
872 1 87 TYR QD 1 90 ASN HA 5.000 . 7.300 4.332 4.332 4.332 . 0 0 "[ ]" 1
873 1 90 ASN HA 1 91 SER HA 5.000 . 5.800 4.635 4.635 4.635 . 0 0 "[ ]" 1
874 1 89 MET HA 1 90 ASN HA 5.000 . 5.800 4.616 4.616 4.616 . 0 0 "[ ]" 1
875 1 90 ASN HA 1 91 SER HB2 5.000 . 5.800 5.433 5.433 5.433 . 0 0 "[ ]" 1
876 1 90 ASN HA 1 91 SER HB3 5.000 . 5.800 3.903 3.903 3.903 . 0 0 "[ ]" 1
877 1 86 PHE QE 1 91 SER HA 5.000 . 7.300 2.164 2.164 2.164 . 0 0 "[ ]" 1
878 1 86 PHE HZ 1 91 SER HA 4.000 . 4.600 4.613 4.613 4.613 0.013 1 0 "[ ]" 1
879 1 87 TYR QD 1 91 SER HA 4.000 . 6.100 5.256 5.256 5.256 . 0 0 "[ ]" 1
880 1 90 ASN QD 1 91 SER HA 4.000 . 4.600 3.478 3.478 3.478 . 0 0 "[ ]" 1
881 1 90 ASN QB 1 91 SER HA 5.000 . 5.800 4.590 4.590 4.590 . 0 0 "[ ]" 1
882 1 86 PHE HZ 1 91 SER QB 5.000 . 5.800 3.761 3.761 3.761 . 0 0 "[ ]" 1
883 1 87 TYR QD 1 91 SER QB 5.000 . 7.300 4.537 4.537 4.537 . 0 0 "[ ]" 1
884 1 90 ASN QD 1 91 SER QB 5.000 . 5.800 4.506 4.506 4.506 . 0 0 "[ ]" 1
885 1 91 SER QB 1 92 GLN HB3 5.000 . 5.800 5.125 5.125 5.125 . 0 0 "[ ]" 1
886 1 92 GLN HA 1 92 GLN HB3 2.500 . 2.800 2.407 2.407 2.407 . 0 0 "[ ]" 1
887 1 71 ILE MG 1 92 GLN HA 5.500 . 6.300 4.236 4.236 4.236 . 0 0 "[ ]" 1
888 1 71 ILE MD 1 92 GLN HA 5.500 . 6.300 4.900 4.900 4.900 . 0 0 "[ ]" 1
889 1 71 ILE MG 1 92 GLN HB3 5.500 . 6.300 3.000 3.000 3.000 . 0 0 "[ ]" 1
890 1 93 VAL HA 1 94 ASN HB2 5.000 . 5.800 5.858 5.858 5.858 0.058 1 0 "[ ]" 1
891 1 93 VAL HA 1 93 VAL HB 3.000 . 3.400 2.411 2.411 2.411 . 0 0 "[ ]" 1
892 1 93 VAL HB 1 94 ASN HB3 5.000 . 5.800 4.224 4.224 4.224 . 0 0 "[ ]" 1
893 1 94 ASN HA 1 95 PHE QD 5.000 . 7.300 3.665 3.665 3.665 . 0 0 "[ ]" 1
894 1 93 VAL HA 1 94 ASN HA 5.000 . 5.800 4.406 4.406 4.406 . 0 0 "[ ]" 1
895 1 94 ASN HA 1 95 PHE HB2 5.000 . 5.800 4.217 4.217 4.217 . 0 0 "[ ]" 1
896 1 96 ASP HA 1 97 PHE QE 5.000 . 7.300 4.640 4.640 4.640 . 0 0 "[ ]" 1
897 1 96 ASP HA 1 97 PHE HZ 5.000 . 5.800 5.811 5.811 5.811 0.011 1 0 "[ ]" 1
898 1 96 ASP HA 1 97 PHE QD 5.000 . 7.300 3.975 3.975 3.975 . 0 0 "[ ]" 1
899 1 96 ASP HA 1 97 PHE HB3 5.000 . 5.800 5.719 5.719 5.719 . 0 0 "[ ]" 1
900 1 22 ARG HB3 1 96 ASP HA 5.000 . 5.800 2.371 2.371 2.371 . 0 0 "[ ]" 1
901 1 22 ARG HB2 1 96 ASP HA 5.000 . 5.800 3.906 3.906 3.906 . 0 0 "[ ]" 1
902 1 69 GLN HB2 1 97 PHE HA 5.000 . 5.800 5.102 5.102 5.102 . 0 0 "[ ]" 1
903 1 97 PHE HA 1 98 ILE HB 5.000 . 5.800 4.499 4.499 4.499 . 0 0 "[ ]" 1
904 1 97 PHE HA 1 98 ILE QG 5.000 . 5.800 3.649 3.649 3.649 . 0 0 "[ ]" 1
905 1 97 PHE HB2 1 98 ILE HA 5.000 . 5.800 4.712 4.712 4.712 . 0 0 "[ ]" 1
906 1 68 VAL HB 1 98 ILE HB 4.000 . 4.600 3.809 3.809 3.809 . 0 0 "[ ]" 1
907 1 98 ILE MG 1 99 LEU HA 5.500 . 6.300 3.804 3.804 3.804 . 0 0 "[ ]" 1
908 1 68 VAL HB 1 98 ILE MG 5.500 . 6.300 4.667 4.667 4.667 . 0 0 "[ ]" 1
909 1 99 LEU HA 1 100 ARG HA 5.000 . 5.800 4.556 4.556 4.556 . 0 0 "[ ]" 1
910 1 98 ILE HA 1 99 LEU HA 5.000 . 5.800 4.489 4.489 4.489 . 0 0 "[ ]" 1
911 1 67 LEU QB 1 99 LEU HA 5.000 . 5.800 3.029 3.029 3.029 . 0 0 "[ ]" 1
912 1 67 LEU HG 1 99 LEU HA 5.000 . 5.800 5.268 5.268 5.268 . 0 0 "[ ]" 1
913 1 67 LEU QD 1 99 LEU HA 5.500 . 6.300 4.318 4.318 4.318 . 0 0 "[ ]" 1
914 1 25 VAL HA 1 100 ARG HA 5.000 . 5.800 3.477 3.477 3.477 . 0 0 "[ ]" 1
915 1 100 ARG HA 1 100 ARG QD 4.000 . 4.600 4.217 4.217 4.217 . 0 0 "[ ]" 1
916 1 100 ARG HA 1 100 ARG QG 3.000 . 3.400 3.246 3.246 3.246 . 0 0 "[ ]" 1
917 1 65 TYR QD 1 100 ARG QB 5.000 . 7.300 5.156 5.156 5.156 . 0 0 "[ ]" 1
918 1 65 TYR HA 1 101 LYS HA 4.000 . 4.600 3.099 3.099 3.099 . 0 0 "[ ]" 1
919 1 102 LYS HA 1 103 ASN HA 4.000 . 4.600 4.474 4.474 4.474 . 0 0 "[ ]" 1
920 1 102 LYS HA 1 103 ASN QB 5.000 . 5.800 4.942 4.942 4.942 . 0 0 "[ ]" 1
921 1 103 ASN HA 1 103 ASN QB 2.500 . 2.800 2.203 2.203 2.203 . 0 0 "[ ]" 1
922 1 102 LYS QB 1 103 ASN HA 4.000 . 4.600 4.208 4.208 4.208 . 0 0 "[ ]" 1
923 1 86 PHE QD 1 87 TYR QD 5.000 . 7.300 4.117 4.117 4.117 . 0 0 "[ ]" 1
924 1 86 PHE QD 1 87 TYR QE 5.000 . 7.300 5.680 5.680 5.680 . 0 0 "[ ]" 1
925 1 84 ASN HA 1 86 PHE QD 5.000 . 7.300 3.378 3.378 3.378 . 0 0 "[ ]" 1
926 1 86 PHE QD 1 87 TYR HA 5.000 . 7.300 3.504 3.504 3.504 . 0 0 "[ ]" 1
927 1 85 VAL HA 1 86 PHE QD 5.000 . 7.300 5.441 5.441 5.441 . 0 0 "[ ]" 1
928 1 86 PHE QD 1 87 TYR QB 5.000 . 7.300 3.127 3.127 3.127 . 0 0 "[ ]" 1
929 1 85 VAL HB 1 86 PHE QD 5.000 . 7.300 6.260 6.260 6.260 . 0 0 "[ ]" 1
930 1 64 GLU QG 1 65 TYR QE 5.000 . 7.300 5.350 5.350 5.350 . 0 0 "[ ]" 1
931 1 69 GLN HA 1 97 PHE HZ 5.000 . 5.800 5.597 5.597 5.597 . 0 0 "[ ]" 1
932 1 23 ILE HA 1 97 PHE QE 5.000 . 7.300 6.235 6.235 6.235 . 0 0 "[ ]" 1
933 1 84 ASN HA 1 86 PHE QE 5.000 . 7.300 5.009 5.009 5.009 . 0 0 "[ ]" 1
934 1 86 PHE QE 1 87 TYR HA 5.000 . 7.300 3.457 3.457 3.457 . 0 0 "[ ]" 1
935 1 97 PHE QD 1 98 ILE HA 5.000 . 7.300 5.981 5.981 5.981 . 0 0 "[ ]" 1
936 1 33 TYR QD 1 55 HIS HD2 5.000 . 7.300 5.338 5.338 5.338 . 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 42
_Distance_constraint_stats_list.Viol_count 11
_Distance_constraint_stats_list.Viol_total 0.396
_Distance_constraint_stats_list.Viol_max 0.222
_Distance_constraint_stats_list.Viol_rms 0.0350
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0094
_Distance_constraint_stats_list.Viol_average_violations_only 0.0360
_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 20 ILE 0.002 0.002 1 0 "[ ]"
1 21 ILE 0.016 0.016 1 0 "[ ]"
1 22 ARG 0.005 0.005 1 0 "[ ]"
1 23 ILE 0.035 0.035 1 0 "[ ]"
1 24 SER 0.019 0.019 1 0 "[ ]"
1 34 LYS 0.035 0.035 1 0 "[ ]"
1 36 ILE 0.016 0.016 1 0 "[ ]"
1 43 LYS 0.222 0.222 1 0 "[ ]"
1 44 THR 0.000 0.000 . 0 "[ ]"
1 45 PRO 0.000 0.000 . 0 "[ ]"
1 46 ALA 0.009 0.009 1 0 "[ ]"
1 47 VAL 0.222 0.222 1 0 "[ ]"
1 48 ILE 0.000 0.000 . 0 "[ ]"
1 49 GLN 0.015 0.015 1 0 "[ ]"
1 50 ARG 0.009 0.009 1 0 "[ ]"
1 51 ALA 0.000 0.000 . 0 "[ ]"
1 52 MET 0.000 0.000 . 0 "[ ]"
1 53 SER 0.015 0.015 1 0 "[ ]"
1 66 GLU 0.033 0.033 1 0 "[ ]"
1 68 VAL 0.018 0.018 1 0 "[ ]"
1 69 GLN 0.023 0.023 1 0 "[ ]"
1 77 LEU 0.023 0.023 1 0 "[ ]"
1 95 PHE 0.007 0.005 1 0 "[ ]"
1 97 PHE 0.019 0.019 1 0 "[ ]"
1 98 ILE 0.018 0.018 1 0 "[ ]"
1 100 ARG 0.033 0.033 1 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 43 LYS O 1 47 VAL H 2.300 . 2.500 2.722 2.722 2.722 0.222 1 0 "[ ]" 2
2 1 43 LYS O 1 47 VAL N 3.300 2.500 3.500 3.398 3.398 3.398 . 0 0 "[ ]" 2
3 1 44 THR O 1 48 ILE H 2.300 . 2.500 2.346 2.346 2.346 . 0 0 "[ ]" 2
4 1 44 THR O 1 48 ILE N 3.300 2.500 3.500 3.310 3.310 3.310 . 0 0 "[ ]" 2
5 1 45 PRO O 1 49 GLN H 2.300 . 2.500 2.258 2.258 2.258 . 0 0 "[ ]" 2
6 1 45 PRO O 1 49 GLN N 3.300 2.500 3.500 3.050 3.050 3.050 . 0 0 "[ ]" 2
7 1 46 ALA O 1 50 ARG H 2.300 . 2.500 2.509 2.509 2.509 0.009 1 0 "[ ]" 2
8 1 46 ALA O 1 50 ARG N 3.300 2.500 3.500 3.394 3.394 3.394 . 0 0 "[ ]" 2
9 1 47 VAL O 1 51 ALA H 2.300 . 2.500 2.321 2.321 2.321 . 0 0 "[ ]" 2
10 1 47 VAL O 1 51 ALA N 3.300 2.500 3.500 3.234 3.234 3.234 . 0 0 "[ ]" 2
11 1 48 ILE O 1 52 MET H 2.300 . 2.500 2.310 2.310 2.310 . 0 0 "[ ]" 2
12 1 48 ILE O 1 52 MET N 3.300 2.500 3.500 3.186 3.186 3.186 . 0 0 "[ ]" 2
13 1 49 GLN O 1 53 SER H 2.300 . 2.500 2.515 2.515 2.515 0.015 1 0 "[ ]" 2
14 1 49 GLN O 1 53 SER N 3.300 2.500 3.500 2.853 2.853 2.853 . 0 0 "[ ]" 2
15 1 21 ILE H 1 36 ILE O 2.300 . 2.500 2.102 2.102 2.102 . 0 0 "[ ]" 2
16 1 21 ILE N 1 36 ILE O 3.300 2.500 3.500 3.077 3.077 3.077 . 0 0 "[ ]" 2
17 1 21 ILE O 1 36 ILE H 2.300 . 2.500 2.516 2.516 2.516 0.016 1 0 "[ ]" 2
18 1 21 ILE O 1 36 ILE N 3.300 2.500 3.500 3.084 3.084 3.084 . 0 0 "[ ]" 2
19 1 23 ILE H 1 34 LYS O 2.300 . 2.500 2.535 2.535 2.535 0.035 1 0 "[ ]" 2
20 1 23 ILE N 1 34 LYS O 3.300 2.500 3.500 3.318 3.318 3.318 . 0 0 "[ ]" 2
21 1 23 ILE O 1 34 LYS H 2.300 . 2.500 2.299 2.299 2.299 . 0 0 "[ ]" 2
22 1 23 ILE O 1 34 LYS N 3.300 2.500 3.500 3.167 3.167 3.167 . 0 0 "[ ]" 2
23 1 69 GLN H 1 77 LEU O 2.300 . 2.500 2.098 2.098 2.098 . 0 0 "[ ]" 2
24 1 69 GLN N 1 77 LEU O 3.300 2.500 3.500 2.975 2.975 2.975 . 0 0 "[ ]" 2
25 1 69 GLN O 1 77 LEU H 2.300 . 2.500 2.523 2.523 2.523 0.023 1 0 "[ ]" 2
26 1 69 GLN O 1 77 LEU N 3.300 2.500 3.500 3.395 3.395 3.395 . 0 0 "[ ]" 2
27 1 66 GLU H 1 100 ARG O 2.300 . 2.500 2.533 2.533 2.533 0.033 1 0 "[ ]" 2
28 1 66 GLU N 1 100 ARG O 3.300 2.500 3.500 3.283 3.283 3.283 . 0 0 "[ ]" 2
29 1 66 GLU O 1 100 ARG H 2.300 . 2.500 2.185 2.185 2.185 . 0 0 "[ ]" 2
30 1 66 GLU O 1 100 ARG N 3.300 2.500 3.500 3.140 3.140 3.140 . 0 0 "[ ]" 2
31 1 68 VAL H 1 98 ILE O 2.300 . 2.500 2.499 2.499 2.499 . 0 0 "[ ]" 2
32 1 68 VAL N 1 98 ILE O 3.300 2.500 3.500 3.193 3.193 3.193 . 0 0 "[ ]" 2
33 1 68 VAL O 1 98 ILE H 2.300 . 2.500 2.518 2.518 2.518 0.018 1 0 "[ ]" 2
34 1 68 VAL O 1 98 ILE N 3.300 2.500 3.500 3.480 3.480 3.480 . 0 0 "[ ]" 2
35 1 20 ILE O 1 95 PHE H 2.300 . 2.500 2.502 2.502 2.502 0.002 1 0 "[ ]" 2
36 1 20 ILE O 1 95 PHE N 3.300 2.500 3.500 3.297 3.297 3.297 . 0 0 "[ ]" 2
37 1 22 ARG H 1 95 PHE O 2.300 . 2.500 2.505 2.505 2.505 0.005 1 0 "[ ]" 2
38 1 22 ARG N 1 95 PHE O 3.300 2.500 3.500 3.392 3.392 3.392 . 0 0 "[ ]" 2
39 1 22 ARG O 1 97 PHE H 2.300 . 2.500 2.096 2.096 2.096 . 0 0 "[ ]" 2
40 1 22 ARG O 1 97 PHE N 3.300 2.500 3.500 3.000 3.000 3.000 . 0 0 "[ ]" 2
41 1 24 SER H 1 97 PHE O 2.300 . 2.500 2.519 2.519 2.519 0.019 1 0 "[ ]" 2
42 1 24 SER N 1 97 PHE O 3.300 2.500 3.500 3.424 3.424 3.424 . 0 0 "[ ]" 2
stop_
save_
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