NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
368275 |
1aqa   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1aqa
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 1069
_Distance_constraint_stats_list.Viol_count 62
_Distance_constraint_stats_list.Viol_total 5.931
_Distance_constraint_stats_list.Viol_max 0.494
_Distance_constraint_stats_list.Viol_rms 0.0327
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0055
_Distance_constraint_stats_list.Viol_average_violations_only 0.0957
_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 5 LYS 0.369 0.284 1 0 "[ ]"
1 6 TYR 0.415 0.284 1 0 "[ ]"
1 7 TYR 0.000 0.000 . 0 "[ ]"
1 8 THR 0.043 0.028 1 0 "[ ]"
1 9 LEU 0.143 0.123 1 0 "[ ]"
1 10 GLU 0.015 0.015 1 0 "[ ]"
1 11 GLU 0.070 0.050 1 0 "[ ]"
1 12 ILE 0.000 0.000 . 0 "[ ]"
1 13 GLN 0.095 0.095 1 0 "[ ]"
1 14 LYS 0.000 0.000 . 0 "[ ]"
1 15 HIS 0.050 0.050 1 0 "[ ]"
1 16 LYS 0.205 0.120 1 0 "[ ]"
1 17 ASP 0.331 0.120 1 0 "[ ]"
1 18 SER 0.031 0.031 1 0 "[ ]"
1 19 LYS 0.009 0.009 1 0 "[ ]"
1 20 SER 0.000 0.000 . 0 "[ ]"
1 21 THR 0.243 0.116 1 0 "[ ]"
1 22 TRP 0.253 0.253 1 0 "[ ]"
1 23 VAL 0.094 0.063 1 0 "[ ]"
1 24 ILE 0.177 0.113 1 0 "[ ]"
1 25 LEU 0.000 0.000 . 0 "[ ]"
1 26 HIS 0.068 0.068 1 0 "[ ]"
1 27 HIS 0.192 0.124 1 0 "[ ]"
1 28 LYS 0.101 0.101 1 0 "[ ]"
1 29 VAL 0.000 0.000 . 0 "[ ]"
1 30 TYR 0.196 0.146 1 0 "[ ]"
1 31 ASP 0.672 0.268 1 0 "[ ]"
1 32 LEU 0.179 0.100 1 0 "[ ]"
1 33 THR 0.284 0.253 1 0 "[ ]"
1 34 LYS 0.000 0.000 . 0 "[ ]"
1 35 PHE 0.057 0.057 1 0 "[ ]"
1 36 LEU 0.157 0.100 1 0 "[ ]"
1 37 GLU 0.000 0.000 . 0 "[ ]"
1 38 GLU 0.000 0.000 . 0 "[ ]"
1 39 HIS 0.070 0.070 1 0 "[ ]"
1 40 PRO 0.223 0.223 1 0 "[ ]"
1 41 GLY 0.232 0.223 1 0 "[ ]"
1 42 GLY 0.391 0.207 1 0 "[ ]"
1 43 GLU 0.814 0.494 1 0 "[ ]"
1 44 GLU 0.033 0.033 1 0 "[ ]"
1 45 VAL 0.008 0.008 1 0 "[ ]"
1 46 LEU 0.073 0.073 1 0 "[ ]"
1 47 ARG 0.566 0.494 1 0 "[ ]"
1 48 GLU 0.118 0.084 1 0 "[ ]"
1 49 GLN 0.099 0.084 1 0 "[ ]"
1 50 ALA 0.000 0.000 . 0 "[ ]"
1 51 GLY 0.780 0.367 1 0 "[ ]"
1 52 GLY 0.700 0.367 1 0 "[ ]"
1 53 ASP 0.162 0.113 1 0 "[ ]"
1 54 ALA 0.000 0.000 . 0 "[ ]"
1 55 THR 0.143 0.124 1 0 "[ ]"
1 56 GLU 0.183 0.115 1 0 "[ ]"
1 57 ASN 0.000 0.000 . 0 "[ ]"
1 58 PHE 0.000 0.000 . 0 "[ ]"
1 59 GLU 0.115 0.115 1 0 "[ ]"
1 60 ASP 0.030 0.030 1 0 "[ ]"
1 61 VAL 0.118 0.118 1 0 "[ ]"
1 62 GLY 0.030 0.030 1 0 "[ ]"
1 63 HIS 0.118 0.118 1 0 "[ ]"
1 64 SER 0.000 0.000 . 0 "[ ]"
1 65 THR 0.000 0.000 . 0 "[ ]"
1 66 ASP 0.031 0.031 1 0 "[ ]"
1 67 ALA 0.000 0.000 . 0 "[ ]"
1 68 ARG 0.106 0.106 1 0 "[ ]"
1 69 GLU 0.038 0.031 1 0 "[ ]"
1 70 LEU 0.006 0.006 1 0 "[ ]"
1 71 SER 0.112 0.106 1 0 "[ ]"
1 72 LYS 0.105 0.105 1 0 "[ ]"
1 73 THR 0.007 0.007 1 0 "[ ]"
1 74 TYR 0.105 0.105 1 0 "[ ]"
1 75 ILE 0.183 0.090 1 0 "[ ]"
1 76 ILE 0.064 0.064 1 0 "[ ]"
1 77 GLY 0.000 0.000 . 0 "[ ]"
1 78 GLU 0.199 0.101 1 0 "[ ]"
1 79 LEU 0.041 0.041 1 0 "[ ]"
1 80 HIS 0.044 0.039 1 0 "[ ]"
1 81 PRO 0.005 0.005 1 0 "[ ]"
1 82 ASP 0.000 0.000 . 0 "[ ]"
1 83 ASP 0.034 0.028 1 0 "[ ]"
1 84 ARG 0.107 0.101 1 0 "[ ]"
1 85 SER 0.101 0.101 1 0 "[ ]"
1 86 LYS 0.326 0.326 1 0 "[ ]"
1 87 ILE 0.335 0.326 1 0 "[ ]"
1 88 ALA 0.009 0.009 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 5 LYS H 1 5 LYS HA . . 3.000 2.781 2.781 2.781 . 0 0 "[ ]" 1
2 1 5 LYS H 1 6 TYR CG . . 8.000 5.439 5.439 5.439 . 0 0 "[ ]" 1
3 1 5 LYS H 1 6 TYR HA . . 4.300 4.319 4.319 4.319 0.019 1 0 "[ ]" 1
4 1 5 LYS H 1 6 TYR QB . . 5.300 5.584 5.584 5.584 0.284 1 0 "[ ]" 1
5 1 5 LYS HA 1 6 TYR CG . . 8.000 4.317 4.317 4.317 . 0 0 "[ ]" 1
6 1 5 LYS HA 1 6 TYR H . . 3.100 2.310 2.310 2.310 . 0 0 "[ ]" 1
7 1 5 LYS HA 1 6 TYR HA . . 4.900 4.380 4.380 4.380 . 0 0 "[ ]" 1
8 1 5 LYS HA 1 7 TYR CZ . . 8.000 6.854 6.854 6.854 . 0 0 "[ ]" 1
9 1 5 LYS HA 1 78 GLU H . . 4.500 4.565 4.565 4.565 0.065 1 0 "[ ]" 1
10 1 5 LYS QB 1 6 TYR H . . 4.900 3.176 3.176 3.176 . 0 0 "[ ]" 1
11 1 5 LYS QB 1 7 TYR CZ . . 9.000 3.888 3.888 3.888 . 0 0 "[ ]" 1
12 1 5 LYS QB 1 78 GLU H . . 7.000 4.313 4.313 4.313 . 0 0 "[ ]" 1
13 1 5 LYS QG 1 6 TYR CZ . . 9.000 6.096 6.096 6.096 . 0 0 "[ ]" 1
14 1 6 TYR CG 1 7 TYR H . . 8.000 4.428 4.428 4.428 . 0 0 "[ ]" 1
15 1 6 TYR CG 1 78 GLU H . . 8.000 5.180 5.180 5.180 . 0 0 "[ ]" 1
16 1 6 TYR CG 1 78 GLU QB . . 8.300 4.618 4.618 4.618 . 0 0 "[ ]" 1
17 1 6 TYR CG 1 78 GLU QG . . 9.000 6.726 6.726 6.726 . 0 0 "[ ]" 1
18 1 6 TYR CG 1 80 HIS H . . 8.000 5.197 5.197 5.197 . 0 0 "[ ]" 1
19 1 6 TYR CG 1 80 HIS HA . . 8.000 3.631 3.631 3.631 . 0 0 "[ ]" 1
20 1 6 TYR CG 1 80 HIS QB . . 9.000 5.197 5.197 5.197 . 0 0 "[ ]" 1
21 1 6 TYR CG 1 81 PRO HD2 . . 8.000 4.600 4.600 4.600 . 0 0 "[ ]" 1
22 1 6 TYR CZ 1 78 GLU H . . 8.000 6.388 6.388 6.388 . 0 0 "[ ]" 1
23 1 6 TYR CZ 1 78 GLU QB . . 9.000 4.894 4.894 4.894 . 0 0 "[ ]" 1
24 1 6 TYR CZ 1 78 GLU QG . . 9.000 6.698 6.698 6.698 . 0 0 "[ ]" 1
25 1 6 TYR CZ 1 80 HIS HA . . 8.000 5.645 5.645 5.645 . 0 0 "[ ]" 1
26 1 6 TYR CZ 1 80 HIS QB . . 9.000 7.317 7.317 7.317 . 0 0 "[ ]" 1
27 1 6 TYR CZ 1 81 PRO HD2 . . 8.000 5.727 5.727 5.727 . 0 0 "[ ]" 1
28 1 6 TYR H 1 79 LEU H . . 5.200 5.241 5.241 5.241 0.041 1 0 "[ ]" 1
29 1 6 TYR HA 1 7 TYR H . . 3.000 2.305 2.305 2.305 . 0 0 "[ ]" 1
30 1 6 TYR HA 1 78 GLU H . . 3.800 3.080 3.080 3.080 . 0 0 "[ ]" 1
31 1 6 TYR HA 1 78 GLU HA . . 5.300 5.332 5.332 5.332 0.032 1 0 "[ ]" 1
32 1 6 TYR HA 1 78 GLU QB . . 7.000 3.758 3.758 3.758 . 0 0 "[ ]" 1
33 1 6 TYR HA 1 79 LEU H . . 4.100 2.619 2.619 2.619 . 0 0 "[ ]" 1
34 1 6 TYR HA 1 80 HIS H . . 4.000 4.039 4.039 4.039 0.039 1 0 "[ ]" 1
35 1 6 TYR HA 1 80 HIS HA . . 5.000 4.303 4.303 4.303 . 0 0 "[ ]" 1
36 1 6 TYR HA 1 80 HIS QB . . 7.000 4.991 4.991 4.991 . 0 0 "[ ]" 1
37 1 6 TYR QB 1 7 TYR H . . 4.800 2.632 2.632 2.632 . 0 0 "[ ]" 1
38 1 6 TYR QB 1 80 HIS H . . 6.000 3.240 3.240 3.240 . 0 0 "[ ]" 1
39 1 6 TYR QB 1 80 HIS HA . . 6.000 2.247 2.247 2.247 . 0 0 "[ ]" 1
40 1 6 TYR QB 1 80 HIS QB . . 6.500 3.282 3.282 3.282 . 0 0 "[ ]" 1
41 1 6 TYR QB 1 80 HIS HD2 . . 5.600 3.822 3.822 3.822 . 0 0 "[ ]" 1
42 1 6 TYR QB 1 81 PRO HD2 . . 6.000 3.888 3.888 3.888 . 0 0 "[ ]" 1
43 1 6 TYR QB 1 81 PRO HD3 . . 6.000 3.618 3.618 3.618 . 0 0 "[ ]" 1
44 1 7 TYR CG 1 8 THR H . . 8.000 4.323 4.323 4.323 . 0 0 "[ ]" 1
45 1 7 TYR CG 1 11 GLU HB3 . . 8.000 4.584 4.584 4.584 . 0 0 "[ ]" 1
46 1 7 TYR CG 1 11 GLU QG . . 9.000 5.075 5.075 5.075 . 0 0 "[ ]" 1
47 1 7 TYR CG 1 12 ILE HG12 . . 7.700 4.542 4.542 4.542 . 0 0 "[ ]" 1
48 1 7 TYR CG 1 22 TRP HE3 . . 8.000 4.523 4.523 4.523 . 0 0 "[ ]" 1
49 1 7 TYR CG 1 22 TRP HH2 . . 8.000 4.559 4.559 4.559 . 0 0 "[ ]" 1
50 1 7 TYR CG 1 22 TRP HZ3 . . 8.000 2.979 2.979 2.979 . 0 0 "[ ]" 1
51 1 7 TYR CG 1 29 VAL HB . . 8.000 4.968 4.968 4.968 . 0 0 "[ ]" 1
52 1 7 TYR CG 1 29 VAL MG1 . . 7.300 3.992 3.992 3.992 . 0 0 "[ ]" 1
53 1 7 TYR CG 1 29 VAL MG2 . . 6.400 3.595 3.595 3.595 . 0 0 "[ ]" 1
54 1 7 TYR CG 1 76 ILE MD . . 9.000 4.452 4.452 4.452 . 0 0 "[ ]" 1
55 1 7 TYR CG 1 76 ILE HG12 . . 8.000 6.755 6.755 6.755 . 0 0 "[ ]" 1
56 1 7 TYR CG 1 76 ILE HG13 . . 8.000 5.159 5.159 5.159 . 0 0 "[ ]" 1
57 1 7 TYR CG 1 76 ILE MG . . 9.000 6.996 6.996 6.996 . 0 0 "[ ]" 1
58 1 7 TYR CG 1 77 GLY H . . 8.000 6.608 6.608 6.608 . 0 0 "[ ]" 1
59 1 7 TYR CG 1 77 GLY HA3 . . 8.000 4.521 4.521 4.521 . 0 0 "[ ]" 1
60 1 7 TYR CG 1 78 GLU HA . . 8.000 7.745 7.745 7.745 . 0 0 "[ ]" 1
61 1 7 TYR CZ 1 22 TRP HH2 . . 8.000 3.243 3.243 3.243 . 0 0 "[ ]" 1
62 1 7 TYR CZ 1 22 TRP HZ3 . . 8.000 3.470 3.470 3.470 . 0 0 "[ ]" 1
63 1 7 TYR CZ 1 29 VAL HB . . 8.000 5.404 5.404 5.404 . 0 0 "[ ]" 1
64 1 7 TYR CZ 1 29 VAL MG1 . . 8.400 4.686 4.686 4.686 . 0 0 "[ ]" 1
65 1 7 TYR CZ 1 29 VAL MG2 . . 8.800 5.073 5.073 5.073 . 0 0 "[ ]" 1
66 1 7 TYR CZ 1 76 ILE HB . . 8.000 4.203 4.203 4.203 . 0 0 "[ ]" 1
67 1 7 TYR CZ 1 76 ILE MD . . 8.000 3.285 3.285 3.285 . 0 0 "[ ]" 1
68 1 7 TYR CZ 1 76 ILE HG12 . . 8.000 5.892 5.892 5.892 . 0 0 "[ ]" 1
69 1 7 TYR CZ 1 76 ILE HG13 . . 8.000 4.407 4.407 4.407 . 0 0 "[ ]" 1
70 1 7 TYR CZ 1 77 GLY H . . 8.000 6.220 6.220 6.220 . 0 0 "[ ]" 1
71 1 7 TYR CZ 1 77 GLY HA3 . . 8.000 4.621 4.621 4.621 . 0 0 "[ ]" 1
72 1 7 TYR CZ 1 78 GLU H . . 8.000 6.670 6.670 6.670 . 0 0 "[ ]" 1
73 1 7 TYR H 1 7 TYR HB2 . . 3.800 2.815 2.815 2.815 . 0 0 "[ ]" 1
74 1 7 TYR H 1 7 TYR HB3 . . 4.100 3.825 3.825 3.825 . 0 0 "[ ]" 1
75 1 7 TYR H 1 8 THR HA . . 4.800 4.495 4.495 4.495 . 0 0 "[ ]" 1
76 1 7 TYR H 1 12 ILE HG13 . . 6.000 5.669 5.669 5.669 . 0 0 "[ ]" 1
77 1 7 TYR H 1 29 VAL MG2 . . 6.100 4.107 4.107 4.107 . 0 0 "[ ]" 1
78 1 7 TYR H 1 78 GLU QB . . 7.000 5.287 5.287 5.287 . 0 0 "[ ]" 1
79 1 7 TYR H 1 80 HIS QB . . 7.000 3.626 3.626 3.626 . 0 0 "[ ]" 1
80 1 7 TYR HA 1 8 THR H . . 4.500 2.365 2.365 2.365 . 0 0 "[ ]" 1
81 1 7 TYR HA 1 8 THR HA . . 4.700 4.459 4.459 4.459 . 0 0 "[ ]" 1
82 1 7 TYR HA 1 8 THR MG . . 5.700 3.661 3.661 3.661 . 0 0 "[ ]" 1
83 1 7 TYR HA 1 11 GLU QG . . 7.000 5.160 5.160 5.160 . 0 0 "[ ]" 1
84 1 7 TYR HA 1 12 ILE MD . . 6.000 5.034 5.034 5.034 . 0 0 "[ ]" 1
85 1 7 TYR HB2 1 11 GLU HB3 . . 6.000 5.070 5.070 5.070 . 0 0 "[ ]" 1
86 1 7 TYR HB2 1 12 ILE HB . . 6.000 5.850 5.850 5.850 . 0 0 "[ ]" 1
87 1 7 TYR HB2 1 12 ILE MD . . 4.800 2.650 2.650 2.650 . 0 0 "[ ]" 1
88 1 7 TYR HB2 1 22 TRP HZ3 . . 6.000 4.149 4.149 4.149 . 0 0 "[ ]" 1
89 1 7 TYR HB2 1 29 VAL MG2 . . 5.300 2.452 2.452 2.452 . 0 0 "[ ]" 1
90 1 7 TYR HB2 1 79 LEU QD . . 7.000 2.290 2.290 2.290 . 0 0 "[ ]" 1
91 1 7 TYR HB3 1 11 GLU HB3 . . 6.000 3.366 3.366 3.366 . 0 0 "[ ]" 1
92 1 7 TYR HB3 1 11 GLU QG . . 6.700 4.617 4.617 4.617 . 0 0 "[ ]" 1
93 1 7 TYR HB3 1 12 ILE H . . 6.000 3.958 3.958 3.958 . 0 0 "[ ]" 1
94 1 7 TYR HB3 1 12 ILE HA . . 6.000 4.844 4.844 4.844 . 0 0 "[ ]" 1
95 1 7 TYR HB3 1 12 ILE MD . . 5.700 2.929 2.929 2.929 . 0 0 "[ ]" 1
96 1 7 TYR HB3 1 22 TRP HE3 . . 6.000 4.196 4.196 4.196 . 0 0 "[ ]" 1
97 1 7 TYR HB3 1 22 TRP HH2 . . 6.000 5.498 5.498 5.498 . 0 0 "[ ]" 1
98 1 7 TYR HB3 1 22 TRP HZ3 . . 6.000 3.265 3.265 3.265 . 0 0 "[ ]" 1
99 1 7 TYR HB3 1 29 VAL MG1 . . 5.300 4.254 4.254 4.254 . 0 0 "[ ]" 1
100 1 7 TYR HB3 1 79 LEU QD . . 5.000 3.181 3.181 3.181 . 0 0 "[ ]" 1
101 1 7 TYR HB3 1 80 HIS H . . 6.000 5.284 5.284 5.284 . 0 0 "[ ]" 1
102 1 8 THR H 1 11 GLU H . . 4.700 3.658 3.658 3.658 . 0 0 "[ ]" 1
103 1 8 THR H 1 11 GLU HB3 . . 5.700 3.906 3.906 3.906 . 0 0 "[ ]" 1
104 1 8 THR HA 1 9 LEU H . . 5.600 2.289 2.289 2.289 . 0 0 "[ ]" 1
105 1 8 THR HA 1 9 LEU HA . . 4.900 4.339 4.339 4.339 . 0 0 "[ ]" 1
106 1 8 THR HA 1 11 GLU H . . 5.900 4.994 4.994 4.994 . 0 0 "[ ]" 1
107 1 8 THR HA 1 79 LEU QD . . 5.800 3.807 3.807 3.807 . 0 0 "[ ]" 1
108 1 8 THR HA 1 83 ASP H . . 5.100 5.128 5.128 5.128 0.028 1 0 "[ ]" 1
109 1 8 THR HB 1 9 LEU H . . 3.800 3.002 3.002 3.002 . 0 0 "[ ]" 1
110 1 8 THR HB 1 9 LEU QB . . 7.000 4.112 4.112 4.112 . 0 0 "[ ]" 1
111 1 8 THR HB 1 10 GLU H . . 3.700 2.579 2.579 2.579 . 0 0 "[ ]" 1
112 1 8 THR HB 1 10 GLU HA . . 5.200 5.215 5.215 5.215 0.015 1 0 "[ ]" 1
113 1 8 THR HB 1 10 GLU HB2 . . 6.000 3.712 3.712 3.712 . 0 0 "[ ]" 1
114 1 8 THR HB 1 10 GLU HB3 . . 6.000 3.579 3.579 3.579 . 0 0 "[ ]" 1
115 1 8 THR HB 1 11 GLU H . . 5.200 3.842 3.842 3.842 . 0 0 "[ ]" 1
116 1 8 THR MG 1 9 LEU H . . 4.600 3.757 3.757 3.757 . 0 0 "[ ]" 1
117 1 8 THR MG 1 10 GLU H . . 6.300 4.254 4.254 4.254 . 0 0 "[ ]" 1
118 1 8 THR MG 1 11 GLU H . . 7.000 4.668 4.668 4.668 . 0 0 "[ ]" 1
119 1 8 THR MG 1 80 HIS QB . . 8.000 2.321 2.321 2.321 . 0 0 "[ ]" 1
120 1 8 THR MG 1 80 HIS HD2 . . 5.800 3.030 3.030 3.030 . 0 0 "[ ]" 1
121 1 9 LEU H 1 9 LEU MD1 . . 5.500 3.261 3.261 3.261 . 0 0 "[ ]" 1
122 1 9 LEU H 1 9 LEU HG . . 4.100 4.223 4.223 4.223 0.123 1 0 "[ ]" 1
123 1 9 LEU H 1 10 GLU H . . 3.700 3.066 3.066 3.066 . 0 0 "[ ]" 1
124 1 9 LEU H 1 11 GLU H . . 5.400 4.952 4.952 4.952 . 0 0 "[ ]" 1
125 1 9 LEU H 1 79 LEU QD . . 5.300 3.921 3.921 3.921 . 0 0 "[ ]" 1
126 1 9 LEU H 1 80 HIS QB . . 7.000 4.008 4.008 4.008 . 0 0 "[ ]" 1
127 1 9 LEU HA 1 9 LEU MD1 . . 4.100 2.254 2.254 2.254 . 0 0 "[ ]" 1
128 1 9 LEU HA 1 9 LEU HG . . 3.500 2.290 2.290 2.290 . 0 0 "[ ]" 1
129 1 9 LEU HA 1 10 GLU H . . 4.500 3.550 3.550 3.550 . 0 0 "[ ]" 1
130 1 9 LEU HA 1 11 GLU H . . 4.700 4.720 4.720 4.720 0.020 1 0 "[ ]" 1
131 1 9 LEU HA 1 12 ILE H . . 4.300 3.603 3.603 3.603 . 0 0 "[ ]" 1
132 1 9 LEU HA 1 12 ILE HB . . 3.600 2.205 2.205 2.205 . 0 0 "[ ]" 1
133 1 9 LEU HA 1 12 ILE HG13 . . 4.800 2.926 2.926 2.926 . 0 0 "[ ]" 1
134 1 9 LEU HA 1 13 GLN H . . 5.100 3.596 3.596 3.596 . 0 0 "[ ]" 1
135 1 9 LEU HA 1 79 LEU QD . . 5.200 3.724 3.724 3.724 . 0 0 "[ ]" 1
136 1 9 LEU HA 1 79 LEU HG . . 6.000 4.945 4.945 4.945 . 0 0 "[ ]" 1
137 1 9 LEU QB 1 10 GLU H . . 5.100 2.802 2.802 2.802 . 0 0 "[ ]" 1
138 1 9 LEU QB 1 79 LEU QD . . 6.800 4.245 4.245 4.245 . 0 0 "[ ]" 1
139 1 9 LEU QB 1 79 LEU HG . . 6.800 5.223 5.223 5.223 . 0 0 "[ ]" 1
140 1 9 LEU QB 1 83 ASP QB . . 8.000 3.554 3.554 3.554 . 0 0 "[ ]" 1
141 1 9 LEU MD1 1 12 ILE H . . 7.000 5.310 5.310 5.310 . 0 0 "[ ]" 1
142 1 9 LEU MD1 1 13 GLN H . . 7.000 4.779 4.779 4.779 . 0 0 "[ ]" 1
143 1 9 LEU MD1 1 13 GLN QG . . 6.300 5.684 5.684 5.684 . 0 0 "[ ]" 1
144 1 9 LEU MD1 1 79 LEU HG . . 5.300 4.263 4.263 4.263 . 0 0 "[ ]" 1
145 1 9 LEU MD1 1 83 ASP QB . . 8.000 2.604 2.604 2.604 . 0 0 "[ ]" 1
146 1 9 LEU MD1 1 86 LYS HA . . 7.000 5.577 5.577 5.577 . 0 0 "[ ]" 1
147 1 9 LEU MD1 1 86 LYS QB . . 5.000 3.034 3.034 3.034 . 0 0 "[ ]" 1
148 1 9 LEU MD1 1 86 LYS QE . . 8.000 3.974 3.974 3.974 . 0 0 "[ ]" 1
149 1 9 LEU MD2 1 13 GLN H . . 5.400 4.873 4.873 4.873 . 0 0 "[ ]" 1
150 1 9 LEU MD2 1 83 ASP HA . . 7.000 4.821 4.821 4.821 . 0 0 "[ ]" 1
151 1 9 LEU MD2 1 86 LYS QE . . 8.000 3.293 3.293 3.293 . 0 0 "[ ]" 1
152 1 9 LEU MD2 1 87 ILE MD . . 5.300 4.835 4.835 4.835 . 0 0 "[ ]" 1
153 1 9 LEU HG 1 10 GLU H . . 6.000 4.590 4.590 4.590 . 0 0 "[ ]" 1
154 1 9 LEU HG 1 10 GLU HA . . 6.000 4.990 4.990 4.990 . 0 0 "[ ]" 1
155 1 9 LEU HG 1 12 ILE HB . . 5.200 3.436 3.436 3.436 . 0 0 "[ ]" 1
156 1 9 LEU HG 1 13 GLN HB2 . . 5.500 3.421 3.421 3.421 . 0 0 "[ ]" 1
157 1 9 LEU HG 1 13 GLN QG . . 7.000 4.847 4.847 4.847 . 0 0 "[ ]" 1
158 1 10 GLU H 1 10 GLU HB2 . . 3.100 2.375 2.375 2.375 . 0 0 "[ ]" 1
159 1 10 GLU H 1 10 GLU HB3 . . 3.300 2.715 2.715 2.715 . 0 0 "[ ]" 1
160 1 10 GLU H 1 11 GLU H . . 3.600 2.964 2.964 2.964 . 0 0 "[ ]" 1
161 1 10 GLU H 1 12 ILE H . . 4.800 4.179 4.179 4.179 . 0 0 "[ ]" 1
162 1 10 GLU H 1 13 GLN H . . 5.500 4.757 4.757 4.757 . 0 0 "[ ]" 1
163 1 10 GLU HA 1 10 GLU HB2 . . 3.000 2.556 2.556 2.556 . 0 0 "[ ]" 1
164 1 10 GLU HA 1 11 GLU H . . 4.200 3.614 3.614 3.614 . 0 0 "[ ]" 1
165 1 10 GLU HA 1 13 GLN H . . 4.600 3.915 3.915 3.915 . 0 0 "[ ]" 1
166 1 10 GLU HA 1 13 GLN HB2 . . 4.100 3.791 3.791 3.791 . 0 0 "[ ]" 1
167 1 10 GLU HA 1 13 GLN HB3 . . 5.300 3.230 3.230 3.230 . 0 0 "[ ]" 1
168 1 10 GLU HA 1 13 GLN QG . . 7.000 5.177 5.177 5.177 . 0 0 "[ ]" 1
169 1 10 GLU HB2 1 11 GLU H . . 3.800 3.657 3.657 3.657 . 0 0 "[ ]" 1
170 1 10 GLU HB3 1 11 GLU H . . 3.500 2.282 2.282 2.282 . 0 0 "[ ]" 1
171 1 11 GLU H 1 11 GLU HB3 . . 3.300 3.196 3.196 3.196 . 0 0 "[ ]" 1
172 1 11 GLU H 1 11 GLU QG . . 5.100 4.003 4.003 4.003 . 0 0 "[ ]" 1
173 1 11 GLU H 1 12 ILE H . . 3.500 2.592 2.592 2.592 . 0 0 "[ ]" 1
174 1 11 GLU H 1 13 GLN H . . 5.300 4.488 4.488 4.488 . 0 0 "[ ]" 1
175 1 11 GLU HA 1 12 ILE H . . 4.100 3.532 3.532 3.532 . 0 0 "[ ]" 1
176 1 11 GLU HA 1 12 ILE HA . . 5.300 4.899 4.899 4.899 . 0 0 "[ ]" 1
177 1 11 GLU HA 1 13 GLN H . . 5.500 4.840 4.840 4.840 . 0 0 "[ ]" 1
178 1 11 GLU HA 1 14 LYS H . . 4.300 3.471 3.471 3.471 . 0 0 "[ ]" 1
179 1 11 GLU HA 1 14 LYS QB . . 5.300 2.920 2.920 2.920 . 0 0 "[ ]" 1
180 1 11 GLU HA 1 14 LYS QE . . 7.000 3.470 3.470 3.470 . 0 0 "[ ]" 1
181 1 11 GLU HA 1 14 LYS QG . . 7.000 3.175 3.175 3.175 . 0 0 "[ ]" 1
182 1 11 GLU HA 1 15 HIS HD2 . . 6.000 4.889 4.889 4.889 . 0 0 "[ ]" 1
183 1 11 GLU HB2 1 12 ILE HB . . 6.000 5.562 5.562 5.562 . 0 0 "[ ]" 1
184 1 11 GLU HB2 1 12 ILE HG12 . . 5.000 4.341 4.341 4.341 . 0 0 "[ ]" 1
185 1 11 GLU HB2 1 12 ILE HG13 . . 6.000 5.878 5.878 5.878 . 0 0 "[ ]" 1
186 1 11 GLU HB3 1 12 ILE H . . 4.100 2.783 2.783 2.783 . 0 0 "[ ]" 1
187 1 11 GLU HB3 1 15 HIS HD2 . . 6.000 6.050 6.050 6.050 0.050 1 0 "[ ]" 1
188 1 11 GLU HB3 1 22 TRP HZ3 . . 6.000 3.262 3.262 3.262 . 0 0 "[ ]" 1
189 1 11 GLU QG 1 12 ILE H . . 7.000 4.354 4.354 4.354 . 0 0 "[ ]" 1
190 1 11 GLU QG 1 12 ILE HA . . 7.000 5.063 5.063 5.063 . 0 0 "[ ]" 1
191 1 11 GLU QG 1 14 LYS QB . . 8.000 3.816 3.816 3.816 . 0 0 "[ ]" 1
192 1 11 GLU QG 1 22 TRP HE3 . . 7.000 5.168 5.168 5.168 . 0 0 "[ ]" 1
193 1 11 GLU QG 1 22 TRP HZ3 . . 7.000 3.773 3.773 3.773 . 0 0 "[ ]" 1
194 1 12 ILE H 1 12 ILE HB . . 3.300 2.356 2.356 2.356 . 0 0 "[ ]" 1
195 1 12 ILE H 1 12 ILE MD . . 5.000 3.604 3.604 3.604 . 0 0 "[ ]" 1
196 1 12 ILE H 1 13 GLN H . . 3.600 3.020 3.020 3.020 . 0 0 "[ ]" 1
197 1 12 ILE H 1 13 GLN HB3 . . 5.600 5.244 5.244 5.244 . 0 0 "[ ]" 1
198 1 12 ILE H 1 22 TRP HZ3 . . 6.000 5.045 5.045 5.045 . 0 0 "[ ]" 1
199 1 12 ILE HA 1 12 ILE MD . . 4.000 2.215 2.215 2.215 . 0 0 "[ ]" 1
200 1 12 ILE HA 1 13 GLN H . . 4.200 3.600 3.600 3.600 . 0 0 "[ ]" 1
201 1 12 ILE HA 1 13 GLN HA . . 5.100 4.878 4.878 4.878 . 0 0 "[ ]" 1
202 1 12 ILE HA 1 15 HIS H . . 4.800 3.597 3.597 3.597 . 0 0 "[ ]" 1
203 1 12 ILE HA 1 15 HIS HE1 . . 6.000 5.923 5.923 5.923 . 0 0 "[ ]" 1
204 1 12 ILE HA 1 22 TRP HE3 . . 4.600 3.007 3.007 3.007 . 0 0 "[ ]" 1
205 1 12 ILE HA 1 22 TRP HZ3 . . 5.500 4.495 4.495 4.495 . 0 0 "[ ]" 1
206 1 12 ILE HA 1 79 LEU QD . . 6.500 4.932 4.932 4.932 . 0 0 "[ ]" 1
207 1 12 ILE HB 1 13 GLN H . . 3.400 2.300 2.300 2.300 . 0 0 "[ ]" 1
208 1 12 ILE HB 1 13 GLN QG . . 7.000 5.592 5.592 5.592 . 0 0 "[ ]" 1
209 1 12 ILE HB 1 51 GLY HA2 . . 6.000 4.309 4.309 4.309 . 0 0 "[ ]" 1
210 1 12 ILE HB 1 51 GLY HA3 . . 6.000 5.015 5.015 5.015 . 0 0 "[ ]" 1
211 1 12 ILE HB 1 79 LEU QD . . 5.600 4.031 4.031 4.031 . 0 0 "[ ]" 1
212 1 12 ILE MD 1 15 HIS HB2 . . 6.500 4.213 4.213 4.213 . 0 0 "[ ]" 1
213 1 12 ILE MD 1 22 TRP HE3 . . 4.400 2.157 2.157 2.157 . 0 0 "[ ]" 1
214 1 12 ILE MD 1 23 VAL HA . . 6.000 4.698 4.698 4.698 . 0 0 "[ ]" 1
215 1 12 ILE MD 1 24 ILE H . . 5.300 4.422 4.422 4.422 . 0 0 "[ ]" 1
216 1 12 ILE MD 1 24 ILE HA . . 5.400 3.975 3.975 3.975 . 0 0 "[ ]" 1
217 1 12 ILE MD 1 29 VAL HB . . 5.400 4.025 4.025 4.025 . 0 0 "[ ]" 1
218 1 12 ILE MD 1 29 VAL MG1 . . 6.700 2.147 2.147 2.147 . 0 0 "[ ]" 1
219 1 12 ILE MD 1 29 VAL MG2 . . 6.100 2.159 2.159 2.159 . 0 0 "[ ]" 1
220 1 12 ILE MD 1 51 GLY HA2 . . 4.600 3.866 3.866 3.866 . 0 0 "[ ]" 1
221 1 12 ILE MD 1 79 LEU HA . . 6.000 4.668 4.668 4.668 . 0 0 "[ ]" 1
222 1 12 ILE MD 1 79 LEU QD . . 5.000 2.268 2.268 2.268 . 0 0 "[ ]" 1
223 1 12 ILE HG12 1 12 ILE MG . . 3.400 3.223 3.223 3.223 . 0 0 "[ ]" 1
224 1 12 ILE HG12 1 79 LEU QD . . 6.100 3.066 3.066 3.066 . 0 0 "[ ]" 1
225 1 12 ILE MG 1 15 HIS HB2 . . 6.300 4.376 4.376 4.376 . 0 0 "[ ]" 1
226 1 12 ILE MG 1 24 ILE H . . 7.000 3.913 3.913 3.913 . 0 0 "[ ]" 1
227 1 12 ILE MG 1 24 ILE HA . . 7.000 4.733 4.733 4.733 . 0 0 "[ ]" 1
228 1 12 ILE MG 1 29 VAL MG1 . . 5.800 3.827 3.827 3.827 . 0 0 "[ ]" 1
229 1 12 ILE MG 1 29 VAL MG2 . . 6.600 4.259 4.259 4.259 . 0 0 "[ ]" 1
230 1 13 GLN H 1 13 GLN HB2 . . 3.200 2.289 2.289 2.289 . 0 0 "[ ]" 1
231 1 13 GLN H 1 13 GLN HB3 . . 3.500 2.776 2.776 2.776 . 0 0 "[ ]" 1
232 1 13 GLN H 1 14 LYS H . . 3.700 3.016 3.016 3.016 . 0 0 "[ ]" 1
233 1 13 GLN H 1 15 HIS H . . 5.700 4.328 4.328 4.328 . 0 0 "[ ]" 1
234 1 13 GLN H 1 51 GLY HA2 . . 4.700 4.267 4.267 4.267 . 0 0 "[ ]" 1
235 1 13 GLN H 1 51 GLY HA3 . . 4.000 4.095 4.095 4.095 0.095 1 0 "[ ]" 1
236 1 13 GLN HA 1 14 LYS H . . 4.900 3.618 3.618 3.618 . 0 0 "[ ]" 1
237 1 13 GLN HA 1 14 LYS HA . . 5.200 4.861 4.861 4.861 . 0 0 "[ ]" 1
238 1 13 GLN HA 1 15 HIS H . . 4.700 4.296 4.296 4.296 . 0 0 "[ ]" 1
239 1 13 GLN HA 1 51 GLY HA2 . . 3.500 3.484 3.484 3.484 . 0 0 "[ ]" 1
240 1 13 GLN HA 1 51 GLY HA3 . . 4.600 2.255 2.255 2.255 . 0 0 "[ ]" 1
241 1 13 GLN HB2 1 14 LYS H . . 4.900 3.904 3.904 3.904 . 0 0 "[ ]" 1
242 1 13 GLN HB2 1 14 LYS QG . . 7.000 5.209 5.209 5.209 . 0 0 "[ ]" 1
243 1 13 GLN HB3 1 14 LYS H . . 4.600 2.713 2.713 2.713 . 0 0 "[ ]" 1
244 1 13 GLN HB3 1 14 LYS HA . . 4.600 4.303 4.303 4.303 . 0 0 "[ ]" 1
245 1 13 GLN QG 1 14 LYS H . . 7.000 4.012 4.012 4.012 . 0 0 "[ ]" 1
246 1 14 LYS H 1 14 LYS QB . . 3.900 2.503 2.503 2.503 . 0 0 "[ ]" 1
247 1 14 LYS H 1 14 LYS QE . . 7.000 4.228 4.228 4.228 . 0 0 "[ ]" 1
248 1 14 LYS H 1 14 LYS QG . . 5.100 2.272 2.272 2.272 . 0 0 "[ ]" 1
249 1 14 LYS H 1 15 HIS H . . 3.300 2.718 2.718 2.718 . 0 0 "[ ]" 1
250 1 14 LYS HA 1 15 HIS H . . 4.300 3.576 3.576 3.576 . 0 0 "[ ]" 1
251 1 14 LYS QB 1 15 HIS H . . 5.800 2.497 2.497 2.497 . 0 0 "[ ]" 1
252 1 14 LYS QB 1 15 HIS HD2 . . 7.000 2.322 2.322 2.322 . 0 0 "[ ]" 1
253 1 14 LYS QG 1 15 HIS H . . 7.000 4.098 4.098 4.098 . 0 0 "[ ]" 1
254 1 15 HIS H 1 15 HIS HB2 . . 3.800 2.392 2.392 2.392 . 0 0 "[ ]" 1
255 1 15 HIS H 1 15 HIS HB3 . . 4.400 3.569 3.569 3.569 . 0 0 "[ ]" 1
256 1 15 HIS H 1 16 LYS H . . 4.600 3.797 3.797 3.797 . 0 0 "[ ]" 1
257 1 15 HIS H 1 16 LYS HA . . 5.900 5.135 5.135 5.135 . 0 0 "[ ]" 1
258 1 15 HIS HA 1 15 HIS HE1 . . 6.000 5.854 5.854 5.854 . 0 0 "[ ]" 1
259 1 15 HIS HA 1 16 LYS H . . 3.100 2.484 2.484 2.484 . 0 0 "[ ]" 1
260 1 15 HIS HA 1 16 LYS HA . . 6.000 4.599 4.599 4.599 . 0 0 "[ ]" 1
261 1 15 HIS HA 1 17 ASP H . . 4.700 3.935 3.935 3.935 . 0 0 "[ ]" 1
262 1 15 HIS HA 1 20 SER HA . . 5.300 4.880 4.880 4.880 . 0 0 "[ ]" 1
263 1 15 HIS HB2 1 15 HIS HE1 . . 5.100 4.933 4.933 4.933 . 0 0 "[ ]" 1
264 1 15 HIS HB2 1 16 LYS H . . 6.000 4.540 4.540 4.540 . 0 0 "[ ]" 1
265 1 15 HIS HB2 1 21 THR H . . 6.000 5.496 5.496 5.496 . 0 0 "[ ]" 1
266 1 15 HIS HB2 1 21 THR HA . . 6.000 4.843 4.843 4.843 . 0 0 "[ ]" 1
267 1 15 HIS HB2 1 22 TRP QB . . 6.000 2.727 2.727 2.727 . 0 0 "[ ]" 1
268 1 15 HIS HB2 1 22 TRP HE3 . . 6.000 3.803 3.803 3.803 . 0 0 "[ ]" 1
269 1 15 HIS HB3 1 15 HIS HE1 . . 5.100 4.955 4.955 4.955 . 0 0 "[ ]" 1
270 1 15 HIS HB3 1 16 LYS H . . 5.300 4.387 4.387 4.387 . 0 0 "[ ]" 1
271 1 15 HIS HB3 1 22 TRP H . . 6.000 2.870 2.870 2.870 . 0 0 "[ ]" 1
272 1 15 HIS HB3 1 22 TRP QB . . 5.300 3.267 3.267 3.267 . 0 0 "[ ]" 1
273 1 15 HIS HB3 1 22 TRP HE3 . . 5.300 4.658 4.658 4.658 . 0 0 "[ ]" 1
274 1 15 HIS HB3 1 22 TRP HZ3 . . 6.000 5.997 5.997 5.997 . 0 0 "[ ]" 1
275 1 16 LYS H 1 17 ASP H . . 3.300 2.358 2.358 2.358 . 0 0 "[ ]" 1
276 1 16 LYS H 1 17 ASP HB2 . . 6.000 6.086 6.086 6.086 0.086 1 0 "[ ]" 1
277 1 16 LYS H 1 17 ASP HB3 . . 4.800 4.920 4.920 4.920 0.120 1 0 "[ ]" 1
278 1 16 LYS HA 1 17 ASP H . . 4.100 3.649 3.649 3.649 . 0 0 "[ ]" 1
279 1 16 LYS HA 1 21 THR HA . . 4.600 3.532 3.532 3.532 . 0 0 "[ ]" 1
280 1 16 LYS HA 1 50 ALA MB . . 3.500 2.276 2.276 2.276 . 0 0 "[ ]" 1
281 1 16 LYS QB 1 50 ALA MB . . 4.800 3.198 3.198 3.198 . 0 0 "[ ]" 1
282 1 16 LYS QG 1 50 ALA HA . . 5.500 4.669 4.669 4.669 . 0 0 "[ ]" 1
283 1 16 LYS QG 1 50 ALA MB . . 7.700 2.930 2.930 2.930 . 0 0 "[ ]" 1
284 1 16 LYS QG 1 51 GLY HA2 . . 6.900 4.308 4.308 4.308 . 0 0 "[ ]" 1
285 1 17 ASP H 1 50 ALA MB . . 5.600 4.542 4.542 4.542 . 0 0 "[ ]" 1
286 1 17 ASP HA 1 17 ASP HB2 . . 3.100 2.352 2.352 2.352 . 0 0 "[ ]" 1
287 1 17 ASP HA 1 21 THR HB . . 4.000 4.116 4.116 4.116 0.116 1 0 "[ ]" 1
288 1 17 ASP HB2 1 18 SER HA . . 5.600 4.650 4.650 4.650 . 0 0 "[ ]" 1
289 1 17 ASP HB2 1 19 LYS H . . 6.000 6.009 6.009 6.009 0.009 1 0 "[ ]" 1
290 1 17 ASP HB3 1 18 SER QB . . 7.000 5.129 5.129 5.129 . 0 0 "[ ]" 1
291 1 17 ASP HB3 1 50 ALA MB . . 4.300 3.543 3.543 3.543 . 0 0 "[ ]" 1
292 1 18 SER H 1 19 LYS H . . 4.500 3.002 3.002 3.002 . 0 0 "[ ]" 1
293 1 18 SER H 1 19 LYS QB . . 5.400 4.944 4.944 4.944 . 0 0 "[ ]" 1
294 1 18 SER HA 1 33 THR HA . . 5.600 5.631 5.631 5.631 0.031 1 0 "[ ]" 1
295 1 18 SER QB 1 19 LYS QB . . 8.000 3.840 3.840 3.840 . 0 0 "[ ]" 1
296 1 18 SER QB 1 20 SER H . . 7.000 4.361 4.361 4.361 . 0 0 "[ ]" 1
297 1 19 LYS H 1 19 LYS QD . . 5.800 3.876 3.876 3.876 . 0 0 "[ ]" 1
298 1 19 LYS H 1 19 LYS QE . . 5.900 4.203 4.203 4.203 . 0 0 "[ ]" 1
299 1 19 LYS H 1 20 SER H . . 3.600 2.945 2.945 2.945 . 0 0 "[ ]" 1
300 1 19 LYS HA 1 20 SER H . . 3.500 3.391 3.391 3.391 . 0 0 "[ ]" 1
301 1 19 LYS HA 1 33 THR MG . . 5.400 3.562 3.562 3.562 . 0 0 "[ ]" 1
302 1 19 LYS HA 1 34 LYS QB . . 7.000 6.258 6.258 6.258 . 0 0 "[ ]" 1
303 1 19 LYS QB 1 20 SER HB2 . . 7.000 4.199 4.199 4.199 . 0 0 "[ ]" 1
304 1 20 SER H 1 20 SER HB3 . . 4.200 3.892 3.892 3.892 . 0 0 "[ ]" 1
305 1 20 SER H 1 21 THR H . . 4.600 3.714 3.714 3.714 . 0 0 "[ ]" 1
306 1 20 SER HA 1 21 THR H . . 3.600 2.287 2.287 2.287 . 0 0 "[ ]" 1
307 1 20 SER HA 1 21 THR HB . . 5.500 4.641 4.641 4.641 . 0 0 "[ ]" 1
308 1 20 SER HA 1 33 THR MG . . 4.600 2.703 2.703 2.703 . 0 0 "[ ]" 1
309 1 21 THR H 1 21 THR HB . . 3.600 2.607 2.607 2.607 . 0 0 "[ ]" 1
310 1 21 THR H 1 21 THR MG . . 4.600 3.862 3.862 3.862 . 0 0 "[ ]" 1
311 1 21 THR H 1 22 TRP H . . 4.600 3.613 3.613 3.613 . 0 0 "[ ]" 1
312 1 21 THR H 1 31 ASP HA . . 4.000 4.048 4.048 4.048 0.048 1 0 "[ ]" 1
313 1 21 THR H 1 32 LEU HA . . 5.600 5.679 5.679 5.679 0.079 1 0 "[ ]" 1
314 1 21 THR H 1 33 THR H . . 4.200 3.138 3.138 3.138 . 0 0 "[ ]" 1
315 1 21 THR H 1 33 THR HA . . 4.700 3.745 3.745 3.745 . 0 0 "[ ]" 1
316 1 21 THR H 1 33 THR MG . . 6.800 2.936 2.936 2.936 . 0 0 "[ ]" 1
317 1 21 THR HA 1 22 TRP H . . 4.200 2.338 2.338 2.338 . 0 0 "[ ]" 1
318 1 21 THR HA 1 32 LEU H . . 5.400 4.874 4.874 4.874 . 0 0 "[ ]" 1
319 1 21 THR HA 1 50 ALA MB . . 6.100 2.999 2.999 2.999 . 0 0 "[ ]" 1
320 1 21 THR HB 1 22 TRP H . . 5.100 4.494 4.494 4.494 . 0 0 "[ ]" 1
321 1 21 THR HB 1 32 LEU H . . 6.000 3.259 3.259 3.259 . 0 0 "[ ]" 1
322 1 21 THR HB 1 33 THR H . . 6.000 3.072 3.072 3.072 . 0 0 "[ ]" 1
323 1 21 THR HB 1 36 LEU MD1 . . 6.500 2.941 2.941 2.941 . 0 0 "[ ]" 1
324 1 21 THR MG 1 22 TRP H . . 7.000 3.740 3.740 3.740 . 0 0 "[ ]" 1
325 1 21 THR MG 1 22 TRP HA . . 7.000 4.399 4.399 4.399 . 0 0 "[ ]" 1
326 1 21 THR MG 1 36 LEU MD2 . . 5.800 2.211 2.211 2.211 . 0 0 "[ ]" 1
327 1 21 THR MG 1 46 LEU HB3 . . 5.200 3.441 3.441 3.441 . 0 0 "[ ]" 1
328 1 21 THR MG 1 46 LEU MD2 . . 6.600 4.480 4.480 4.480 . 0 0 "[ ]" 1
329 1 21 THR MG 1 50 ALA HA . . 5.500 4.133 4.133 4.133 . 0 0 "[ ]" 1
330 1 21 THR MG 1 50 ALA MB . . 4.400 2.330 2.330 2.330 . 0 0 "[ ]" 1
331 1 22 TRP H 1 31 ASP HA . . 5.000 4.596 4.596 4.596 . 0 0 "[ ]" 1
332 1 22 TRP H 1 50 ALA HA . . 4.700 4.697 4.697 4.697 . 0 0 "[ ]" 1
333 1 22 TRP H 1 50 ALA MB . . 6.700 3.338 3.338 3.338 . 0 0 "[ ]" 1
334 1 22 TRP H 1 51 GLY H . . 4.600 3.243 3.243 3.243 . 0 0 "[ ]" 1
335 1 22 TRP HA 1 23 VAL H . . 3.300 2.398 2.398 2.398 . 0 0 "[ ]" 1
336 1 22 TRP HA 1 23 VAL HA . . 5.900 4.534 4.534 4.534 . 0 0 "[ ]" 1
337 1 22 TRP HA 1 23 VAL MG1 . . 7.000 3.561 3.561 3.561 . 0 0 "[ ]" 1
338 1 22 TRP HA 1 31 ASP HA . . 3.300 2.209 2.209 2.209 . 0 0 "[ ]" 1
339 1 22 TRP HA 1 32 LEU H . . 4.700 2.907 2.907 2.907 . 0 0 "[ ]" 1
340 1 22 TRP QB 1 23 VAL H . . 4.800 2.526 2.526 2.526 . 0 0 "[ ]" 1
341 1 22 TRP QB 1 29 VAL MG1 . . 4.900 2.278 2.278 2.278 . 0 0 "[ ]" 1
342 1 22 TRP QB 1 31 ASP HA . . 5.800 3.447 3.447 3.447 . 0 0 "[ ]" 1
343 1 22 TRP QB 1 33 THR H . . 6.000 6.253 6.253 6.253 0.253 1 0 "[ ]" 1
344 1 22 TRP QB 1 51 GLY H . . 6.000 3.709 3.709 3.709 . 0 0 "[ ]" 1
345 1 22 TRP QB 1 79 LEU QD . . 5.300 5.162 5.162 5.162 . 0 0 "[ ]" 1
346 1 22 TRP HE3 1 29 VAL MG1 . . 4.100 2.463 2.463 2.463 . 0 0 "[ ]" 1
347 1 22 TRP HE3 1 29 VAL MG2 . . 7.000 4.050 4.050 4.050 . 0 0 "[ ]" 1
348 1 22 TRP HE3 1 76 ILE MD . . 5.100 3.213 3.213 3.213 . 0 0 "[ ]" 1
349 1 22 TRP HH2 1 76 ILE MD . . 6.600 3.230 3.230 3.230 . 0 0 "[ ]" 1
350 1 22 TRP HZ3 1 29 VAL MG1 . . 5.200 3.573 3.573 3.573 . 0 0 "[ ]" 1
351 1 22 TRP HZ3 1 76 ILE MD . . 6.900 3.458 3.458 3.458 . 0 0 "[ ]" 1
352 1 23 VAL H 1 23 VAL MG2 . . 3.900 2.290 2.290 2.290 . 0 0 "[ ]" 1
353 1 23 VAL H 1 24 ILE HA . . 4.500 4.563 4.563 4.563 0.063 1 0 "[ ]" 1
354 1 23 VAL H 1 29 VAL MG1 . . 6.800 3.107 3.107 3.107 . 0 0 "[ ]" 1
355 1 23 VAL H 1 30 TYR H . . 3.400 2.714 2.714 2.714 . 0 0 "[ ]" 1
356 1 23 VAL H 1 30 TYR HA . . 5.000 5.030 5.030 5.030 0.030 1 0 "[ ]" 1
357 1 23 VAL H 1 31 ASP HA . . 4.600 3.910 3.910 3.910 . 0 0 "[ ]" 1
358 1 23 VAL H 1 32 LEU MD2 . . 6.200 4.395 4.395 4.395 . 0 0 "[ ]" 1
359 1 23 VAL HA 1 24 ILE H . . 3.500 2.364 2.364 2.364 . 0 0 "[ ]" 1
360 1 23 VAL HA 1 24 ILE HA . . 6.000 4.462 4.462 4.462 . 0 0 "[ ]" 1
361 1 23 VAL HA 1 32 LEU MD2 . . 5.600 4.984 4.984 4.984 . 0 0 "[ ]" 1
362 1 23 VAL HA 1 50 ALA HA . . 4.300 3.272 3.272 3.272 . 0 0 "[ ]" 1
363 1 23 VAL HA 1 51 GLY H . . 3.900 3.354 3.354 3.354 . 0 0 "[ ]" 1
364 1 23 VAL HA 1 52 GLY H . . 4.300 2.979 2.979 2.979 . 0 0 "[ ]" 1
365 1 23 VAL HB 1 24 ILE H . . 3.800 3.286 3.286 3.286 . 0 0 "[ ]" 1
366 1 23 VAL HB 1 25 LEU MD1 . . 7.000 3.399 3.399 3.399 . 0 0 "[ ]" 1
367 1 23 VAL HB 1 29 VAL HA . . 6.000 5.762 5.762 5.762 . 0 0 "[ ]" 1
368 1 23 VAL HB 1 54 ALA MB . . 5.300 2.268 2.268 2.268 . 0 0 "[ ]" 1
369 1 23 VAL MG1 1 24 ILE H . . 7.000 4.035 4.035 4.035 . 0 0 "[ ]" 1
370 1 23 VAL MG1 1 25 LEU MD2 . . 6.900 3.551 3.551 3.551 . 0 0 "[ ]" 1
371 1 23 VAL MG1 1 30 TYR CG . . 9.000 6.074 6.074 6.074 . 0 0 "[ ]" 1
372 1 23 VAL MG1 1 32 LEU H . . 5.400 4.393 4.393 4.393 . 0 0 "[ ]" 1
373 1 23 VAL MG1 1 32 LEU QB . . 5.700 4.270 4.270 4.270 . 0 0 "[ ]" 1
374 1 23 VAL MG1 1 46 LEU HB3 . . 5.700 3.734 3.734 3.734 . 0 0 "[ ]" 1
375 1 23 VAL MG1 1 46 LEU MD2 . . 7.100 3.411 3.411 3.411 . 0 0 "[ ]" 1
376 1 23 VAL MG1 1 49 GLN QB . . 8.000 3.539 3.539 3.539 . 0 0 "[ ]" 1
377 1 23 VAL MG1 1 49 GLN QG . . 8.000 4.410 4.410 4.410 . 0 0 "[ ]" 1
378 1 23 VAL MG1 1 50 ALA HA . . 4.400 2.238 2.238 2.238 . 0 0 "[ ]" 1
379 1 23 VAL MG1 1 50 ALA MB . . 6.100 3.006 3.006 3.006 . 0 0 "[ ]" 1
380 1 23 VAL MG1 1 54 ALA HA . . 7.000 5.295 5.295 5.295 . 0 0 "[ ]" 1
381 1 23 VAL MG1 1 54 ALA MB . . 5.700 2.817 2.817 2.817 . 0 0 "[ ]" 1
382 1 23 VAL MG2 1 25 LEU MD1 . . 6.600 2.371 2.371 2.371 . 0 0 "[ ]" 1
383 1 23 VAL MG2 1 25 LEU MD2 . . 6.900 3.159 3.159 3.159 . 0 0 "[ ]" 1
384 1 23 VAL MG2 1 30 TYR CG . . 8.500 3.524 3.524 3.524 . 0 0 "[ ]" 1
385 1 23 VAL MG2 1 30 TYR H . . 5.500 2.722 2.722 2.722 . 0 0 "[ ]" 1
386 1 23 VAL MG2 1 30 TYR QB . . 6.800 2.354 2.354 2.354 . 0 0 "[ ]" 1
387 1 23 VAL MG2 1 50 ALA MB . . 7.200 4.941 4.941 4.941 . 0 0 "[ ]" 1
388 1 23 VAL MG2 1 54 ALA MB . . 5.500 3.635 3.635 3.635 . 0 0 "[ ]" 1
389 1 24 ILE H 1 24 ILE HB . . 3.900 2.520 2.520 2.520 . 0 0 "[ ]" 1
390 1 24 ILE H 1 25 LEU H . . 4.400 4.210 4.210 4.210 . 0 0 "[ ]" 1
391 1 24 ILE H 1 29 VAL MG1 . . 6.100 4.957 4.957 4.957 . 0 0 "[ ]" 1
392 1 24 ILE H 1 53 ASP HA . . 3.500 3.613 3.613 3.613 0.113 1 0 "[ ]" 1
393 1 24 ILE H 1 53 ASP HB3 . . 6.000 5.864 5.864 5.864 . 0 0 "[ ]" 1
394 1 24 ILE H 1 54 ALA H . . 4.700 2.640 2.640 2.640 . 0 0 "[ ]" 1
395 1 24 ILE H 1 54 ALA MB . . 7.000 3.066 3.066 3.066 . 0 0 "[ ]" 1
396 1 24 ILE HA 1 25 LEU H . . 3.200 2.296 2.296 2.296 . 0 0 "[ ]" 1
397 1 24 ILE HA 1 28 LYS H . . 5.800 3.332 3.332 3.332 . 0 0 "[ ]" 1
398 1 24 ILE HA 1 29 VAL HA . . 4.000 2.781 2.781 2.781 . 0 0 "[ ]" 1
399 1 24 ILE HA 1 29 VAL MG1 . . 7.000 3.799 3.799 3.799 . 0 0 "[ ]" 1
400 1 24 ILE HA 1 29 VAL MG2 . . 7.000 3.234 3.234 3.234 . 0 0 "[ ]" 1
401 1 24 ILE HA 1 30 TYR CG . . 8.000 6.450 6.450 6.450 . 0 0 "[ ]" 1
402 1 24 ILE HA 1 30 TYR H . . 4.300 4.185 4.185 4.185 . 0 0 "[ ]" 1
403 1 24 ILE HB 1 53 ASP HB2 . . 6.000 4.382 4.382 4.382 . 0 0 "[ ]" 1
404 1 24 ILE HB 1 53 ASP HB3 . . 6.000 4.216 4.216 4.216 . 0 0 "[ ]" 1
405 1 25 LEU H 1 25 LEU HG . . 5.200 2.988 2.988 2.988 . 0 0 "[ ]" 1
406 1 25 LEU H 1 28 LYS H . . 5.500 2.927 2.927 2.927 . 0 0 "[ ]" 1
407 1 25 LEU H 1 30 TYR CG . . 8.000 5.030 5.030 5.030 . 0 0 "[ ]" 1
408 1 25 LEU H 1 30 TYR CZ . . 8.000 4.837 4.837 4.837 . 0 0 "[ ]" 1
409 1 25 LEU HA 1 25 LEU MD2 . . 3.900 2.005 2.005 2.005 . 0 0 "[ ]" 1
410 1 25 LEU HA 1 26 HIS H . . 3.500 2.109 2.109 2.109 . 0 0 "[ ]" 1
411 1 25 LEU HA 1 26 HIS HA . . 5.400 4.267 4.267 4.267 . 0 0 "[ ]" 1
412 1 25 LEU HA 1 55 THR HA . . 4.700 2.097 2.097 2.097 . 0 0 "[ ]" 1
413 1 25 LEU HA 1 55 THR MG . . 6.900 3.781 3.781 3.781 . 0 0 "[ ]" 1
414 1 25 LEU QB 1 30 TYR CG . . 9.000 3.905 3.905 3.905 . 0 0 "[ ]" 1
415 1 25 LEU MD1 1 30 TYR CG . . 9.000 3.847 3.847 3.847 . 0 0 "[ ]" 1
416 1 25 LEU MD1 1 30 TYR CZ . . 8.500 3.867 3.867 3.867 . 0 0 "[ ]" 1
417 1 25 LEU MD1 1 54 ALA MB . . 8.000 3.599 3.599 3.599 . 0 0 "[ ]" 1
418 1 25 LEU MD1 1 55 THR HA . . 7.000 4.556 4.556 4.556 . 0 0 "[ ]" 1
419 1 25 LEU MD1 1 58 PHE QB . . 8.000 2.841 2.841 2.841 . 0 0 "[ ]" 1
420 1 25 LEU MD2 1 26 HIS H . . 7.000 3.595 3.595 3.595 . 0 0 "[ ]" 1
421 1 25 LEU MD2 1 54 ALA H . . 6.000 3.528 3.528 3.528 . 0 0 "[ ]" 1
422 1 25 LEU MD2 1 54 ALA HA . . 7.000 3.753 3.753 3.753 . 0 0 "[ ]" 1
423 1 25 LEU MD2 1 54 ALA MB . . 5.300 1.914 1.914 1.914 . 0 0 "[ ]" 1
424 1 25 LEU MD2 1 55 THR H . . 6.500 2.493 2.493 2.493 . 0 0 "[ ]" 1
425 1 25 LEU MD2 1 55 THR HA . . 4.900 2.496 2.496 2.496 . 0 0 "[ ]" 1
426 1 25 LEU MD2 1 57 ASN HA . . 7.000 6.386 6.386 6.386 . 0 0 "[ ]" 1
427 1 25 LEU MD2 1 58 PHE H . . 6.600 3.612 3.612 3.612 . 0 0 "[ ]" 1
428 1 25 LEU MD2 1 58 PHE HA . . 7.000 4.113 4.113 4.113 . 0 0 "[ ]" 1
429 1 25 LEU MD2 1 58 PHE QB . . 7.100 1.944 1.944 1.944 . 0 0 "[ ]" 1
430 1 25 LEU MD2 1 59 GLU QG . . 8.000 5.078 5.078 5.078 . 0 0 "[ ]" 1
431 1 25 LEU HG 1 30 TYR CG . . 8.000 4.739 4.739 4.739 . 0 0 "[ ]" 1
432 1 25 LEU HG 1 30 TYR CZ . . 8.000 5.069 5.069 5.069 . 0 0 "[ ]" 1
433 1 26 HIS H 1 26 HIS HA . . 3.100 2.216 2.216 2.216 . 0 0 "[ ]" 1
434 1 26 HIS H 1 27 HIS H . . 4.200 2.515 2.515 2.515 . 0 0 "[ ]" 1
435 1 26 HIS H 1 55 THR HA . . 4.700 2.128 2.128 2.128 . 0 0 "[ ]" 1
436 1 26 HIS H 1 55 THR MG . . 4.400 2.323 2.323 2.323 . 0 0 "[ ]" 1
437 1 26 HIS HA 1 27 HIS H . . 4.300 2.481 2.481 2.481 . 0 0 "[ ]" 1
438 1 26 HIS HA 1 27 HIS HA . . 4.500 4.568 4.568 4.568 0.068 1 0 "[ ]" 1
439 1 26 HIS HA 1 55 THR MG . . 4.900 2.201 2.201 2.201 . 0 0 "[ ]" 1
440 1 26 HIS QB 1 27 HIS H . . 5.900 3.927 3.927 3.927 . 0 0 "[ ]" 1
441 1 26 HIS QB 1 55 THR MG . . 8.000 3.064 3.064 3.064 . 0 0 "[ ]" 1
442 1 27 HIS H 1 27 HIS HA . . 3.100 2.275 2.275 2.275 . 0 0 "[ ]" 1
443 1 27 HIS H 1 27 HIS HE1 . . 6.000 5.480 5.480 5.480 . 0 0 "[ ]" 1
444 1 27 HIS H 1 28 LYS H . . 4.800 2.960 2.960 2.960 . 0 0 "[ ]" 1
445 1 27 HIS H 1 55 THR HA . . 4.400 4.524 4.524 4.524 0.124 1 0 "[ ]" 1
446 1 27 HIS HA 1 79 LEU QD . . 4.300 3.688 3.688 3.688 . 0 0 "[ ]" 1
447 1 27 HIS HA 1 87 ILE QG . . 5.600 3.956 3.956 3.956 . 0 0 "[ ]" 1
448 1 27 HIS QB 1 28 LYS QE . . 8.000 5.410 5.410 5.410 . 0 0 "[ ]" 1
449 1 27 HIS QB 1 78 GLU QB . . 8.000 3.889 3.889 3.889 . 0 0 "[ ]" 1
450 1 27 HIS HD2 1 79 LEU QD . . 6.000 3.252 3.252 3.252 . 0 0 "[ ]" 1
451 1 27 HIS HE1 1 84 ARG QB . . 7.000 5.809 5.809 5.809 . 0 0 "[ ]" 1
452 1 27 HIS HE1 1 84 ARG QD . . 7.000 6.244 6.244 6.244 . 0 0 "[ ]" 1
453 1 28 LYS H 1 29 VAL HA . . 5.300 4.297 4.297 4.297 . 0 0 "[ ]" 1
454 1 28 LYS H 1 30 TYR CZ . . 8.000 6.027 6.027 6.027 . 0 0 "[ ]" 1
455 1 28 LYS H 1 78 GLU HA . . 4.100 4.201 4.201 4.201 0.101 1 0 "[ ]" 1
456 1 28 LYS HA 1 29 VAL H . . 3.800 2.069 2.069 2.069 . 0 0 "[ ]" 1
457 1 28 LYS HA 1 29 VAL MG2 . . 6.000 3.385 3.385 3.385 . 0 0 "[ ]" 1
458 1 28 LYS HA 1 77 GLY H . . 4.900 4.630 4.630 4.630 . 0 0 "[ ]" 1
459 1 28 LYS HA 1 78 GLU HA . . 3.300 2.004 2.004 2.004 . 0 0 "[ ]" 1
460 1 28 LYS HA 1 78 GLU QB . . 7.000 4.161 4.161 4.161 . 0 0 "[ ]" 1
461 1 28 LYS HA 1 78 GLU QG . . 7.000 3.185 3.185 3.185 . 0 0 "[ ]" 1
462 1 28 LYS QB 1 29 VAL H . . 5.400 3.487 3.487 3.487 . 0 0 "[ ]" 1
463 1 28 LYS QB 1 29 VAL MG2 . . 8.000 4.808 4.808 4.808 . 0 0 "[ ]" 1
464 1 28 LYS QB 1 30 TYR CG . . 9.000 4.570 4.570 4.570 . 0 0 "[ ]" 1
465 1 28 LYS QB 1 30 TYR CZ . . 9.000 3.243 3.243 3.243 . 0 0 "[ ]" 1
466 1 28 LYS QB 1 75 ILE MG . . 8.000 3.883 3.883 3.883 . 0 0 "[ ]" 1
467 1 28 LYS QB 1 78 GLU HA . . 6.300 4.091 4.091 4.091 . 0 0 "[ ]" 1
468 1 28 LYS QD 1 30 TYR CZ . . 9.000 4.858 4.858 4.858 . 0 0 "[ ]" 1
469 1 28 LYS QD 1 75 ILE QG . . 8.000 3.255 3.255 3.255 . 0 0 "[ ]" 1
470 1 28 LYS QD 1 75 ILE MG . . 8.000 3.920 3.920 3.920 . 0 0 "[ ]" 1
471 1 28 LYS QD 1 78 GLU HA . . 7.000 4.451 4.451 4.451 . 0 0 "[ ]" 1
472 1 28 LYS QD 1 78 GLU QG . . 8.000 3.265 3.265 3.265 . 0 0 "[ ]" 1
473 1 28 LYS QG 1 30 TYR CZ . . 9.000 4.928 4.928 4.928 . 0 0 "[ ]" 1
474 1 28 LYS QG 1 78 GLU HA . . 7.000 2.495 2.495 2.495 . 0 0 "[ ]" 1
475 1 28 LYS QG 1 78 GLU QG . . 8.000 2.126 2.126 2.126 . 0 0 "[ ]" 1
476 1 29 VAL H 1 29 VAL HB . . 4.100 2.655 2.655 2.655 . 0 0 "[ ]" 1
477 1 29 VAL H 1 77 GLY H . . 4.100 3.028 3.028 3.028 . 0 0 "[ ]" 1
478 1 29 VAL HA 1 30 TYR CG . . 8.000 4.911 4.911 4.911 . 0 0 "[ ]" 1
479 1 29 VAL HA 1 30 TYR H . . 3.500 2.178 2.178 2.178 . 0 0 "[ ]" 1
480 1 29 VAL HA 1 79 LEU QD . . 6.200 4.284 4.284 4.284 . 0 0 "[ ]" 1
481 1 29 VAL HB 1 75 ILE QG . . 7.000 6.171 6.171 6.171 . 0 0 "[ ]" 1
482 1 29 VAL HB 1 76 ILE MD . . 6.100 3.371 3.371 3.371 . 0 0 "[ ]" 1
483 1 29 VAL HB 1 76 ILE HG12 . . 6.000 3.224 3.224 3.224 . 0 0 "[ ]" 1
484 1 29 VAL HB 1 77 GLY H . . 5.700 2.672 2.672 2.672 . 0 0 "[ ]" 1
485 1 29 VAL HB 1 77 GLY HA2 . . 6.000 4.377 4.377 4.377 . 0 0 "[ ]" 1
486 1 29 VAL MG1 1 30 TYR H . . 4.700 2.727 2.727 2.727 . 0 0 "[ ]" 1
487 1 29 VAL MG1 1 31 ASP HA . . 7.000 4.069 4.069 4.069 . 0 0 "[ ]" 1
488 1 29 VAL MG1 1 76 ILE MD . . 4.800 2.120 2.120 2.120 . 0 0 "[ ]" 1
489 1 29 VAL MG1 1 76 ILE HG12 . . 5.300 2.735 2.735 2.735 . 0 0 "[ ]" 1
490 1 29 VAL MG1 1 76 ILE MG . . 7.300 4.271 4.271 4.271 . 0 0 "[ ]" 1
491 1 29 VAL MG1 1 77 GLY H . . 6.400 4.140 4.140 4.140 . 0 0 "[ ]" 1
492 1 29 VAL MG1 1 77 GLY HA3 . . 5.800 4.338 4.338 4.338 . 0 0 "[ ]" 1
493 1 29 VAL MG1 1 78 GLU HA . . 7.000 5.852 5.852 5.852 . 0 0 "[ ]" 1
494 1 29 VAL MG1 1 79 LEU QB . . 8.000 5.837 5.837 5.837 . 0 0 "[ ]" 1
495 1 29 VAL MG1 1 79 LEU QD . . 7.300 3.467 3.467 3.467 . 0 0 "[ ]" 1
496 1 29 VAL MG2 1 77 GLY H . . 7.000 3.738 3.738 3.738 . 0 0 "[ ]" 1
497 1 29 VAL MG2 1 77 GLY HA2 . . 7.000 4.315 4.315 4.315 . 0 0 "[ ]" 1
498 1 29 VAL MG2 1 77 GLY HA3 . . 5.800 3.073 3.073 3.073 . 0 0 "[ ]" 1
499 1 29 VAL MG2 1 78 GLU H . . 6.800 3.493 3.493 3.493 . 0 0 "[ ]" 1
500 1 29 VAL MG2 1 78 GLU HA . . 5.000 3.328 3.328 3.328 . 0 0 "[ ]" 1
501 1 30 TYR CG 1 74 TYR QB . . 9.000 3.343 3.343 3.343 . 0 0 "[ ]" 1
502 1 30 TYR CZ 1 71 SER HA . . 8.000 4.174 4.174 4.174 . 0 0 "[ ]" 1
503 1 30 TYR CZ 1 74 TYR CG . . 10.000 6.535 6.535 6.535 . 0 0 "[ ]" 1
504 1 30 TYR CZ 1 75 ILE QG . . 9.000 3.791 3.791 3.791 . 0 0 "[ ]" 1
505 1 30 TYR H 1 31 ASP H . . 3.900 4.046 4.046 4.046 0.146 1 0 "[ ]" 1
506 1 30 TYR H 1 31 ASP HA . . 4.600 4.619 4.619 4.619 0.019 1 0 "[ ]" 1
507 1 30 TYR H 1 31 ASP HB3 . . 6.000 5.935 5.935 5.935 . 0 0 "[ ]" 1
508 1 30 TYR HA 1 31 ASP H . . 3.400 2.064 2.064 2.064 . 0 0 "[ ]" 1
509 1 30 TYR HA 1 75 ILE HA . . 3.800 3.408 3.408 3.408 . 0 0 "[ ]" 1
510 1 30 TYR HA 1 76 ILE H . . 3.900 2.792 2.792 2.792 . 0 0 "[ ]" 1
511 1 30 TYR HA 1 76 ILE MG . . 6.500 3.292 3.292 3.292 . 0 0 "[ ]" 1
512 1 30 TYR QB 1 32 LEU MD2 . . 6.400 2.986 2.986 2.986 . 0 0 "[ ]" 1
513 1 30 TYR QB 1 74 TYR CG . . 9.000 3.789 3.789 3.789 . 0 0 "[ ]" 1
514 1 31 ASP H 1 31 ASP HB2 . . 3.500 3.768 3.768 3.768 0.268 1 0 "[ ]" 1
515 1 31 ASP H 1 74 TYR CG . . 8.000 5.500 5.500 5.500 . 0 0 "[ ]" 1
516 1 31 ASP H 1 74 TYR QB . . 7.000 3.718 3.718 3.718 . 0 0 "[ ]" 1
517 1 31 ASP H 1 75 ILE H . . 4.800 4.837 4.837 4.837 0.037 1 0 "[ ]" 1
518 1 31 ASP H 1 75 ILE HA . . 5.000 5.090 5.090 5.090 0.090 1 0 "[ ]" 1
519 1 31 ASP H 1 76 ILE MD . . 6.900 3.242 3.242 3.242 . 0 0 "[ ]" 1
520 1 31 ASP H 1 76 ILE HG12 . . 6.000 2.638 2.638 2.638 . 0 0 "[ ]" 1
521 1 31 ASP H 1 76 ILE MG . . 4.500 2.651 2.651 2.651 . 0 0 "[ ]" 1
522 1 31 ASP HA 1 32 LEU H . . 3.900 2.257 2.257 2.257 . 0 0 "[ ]" 1
523 1 31 ASP HA 1 32 LEU MD2 . . 7.000 4.968 4.968 4.968 . 0 0 "[ ]" 1
524 1 31 ASP HA 1 76 ILE MD . . 7.000 3.643 3.643 3.643 . 0 0 "[ ]" 1
525 1 31 ASP HB2 1 32 LEU H . . 5.400 3.224 3.224 3.224 . 0 0 "[ ]" 1
526 1 31 ASP HB2 1 76 ILE MD . . 5.700 3.658 3.658 3.658 . 0 0 "[ ]" 1
527 1 31 ASP HB2 1 76 ILE HG12 . . 6.000 5.251 5.251 5.251 . 0 0 "[ ]" 1
528 1 31 ASP HB2 1 76 ILE MG . . 4.200 4.264 4.264 4.264 0.064 1 0 "[ ]" 1
529 1 31 ASP HB3 1 32 LEU H . . 5.100 4.378 4.378 4.378 . 0 0 "[ ]" 1
530 1 32 LEU H 1 32 LEU MD1 . . 4.700 2.972 2.972 2.972 . 0 0 "[ ]" 1
531 1 32 LEU H 1 32 LEU MD2 . . 4.300 3.973 3.973 3.973 . 0 0 "[ ]" 1
532 1 32 LEU H 1 32 LEU HG . . 4.000 2.407 2.407 2.407 . 0 0 "[ ]" 1
533 1 32 LEU QB 1 46 LEU MD2 . . 8.000 3.840 3.840 3.840 . 0 0 "[ ]" 1
534 1 32 LEU QB 1 74 TYR CG . . 9.000 5.522 5.522 5.522 . 0 0 "[ ]" 1
535 1 32 LEU MD1 1 46 LEU H . . 5.700 5.343 5.343 5.343 . 0 0 "[ ]" 1
536 1 32 LEU MD2 1 35 PHE HB3 . . 4.800 3.685 3.685 3.685 . 0 0 "[ ]" 1
537 1 32 LEU MD2 1 36 LEU MD1 . . 5.500 5.600 5.600 5.600 0.100 1 0 "[ ]" 1
538 1 33 THR HA 1 36 LEU H . . 6.000 4.299 4.299 4.299 . 0 0 "[ ]" 1
539 1 33 THR HA 1 36 LEU QB . . 7.000 4.210 4.210 4.210 . 0 0 "[ ]" 1
540 1 33 THR MG 1 34 LYS H . . 7.000 4.178 4.178 4.178 . 0 0 "[ ]" 1
541 1 34 LYS H 1 34 LYS QD . . 6.200 5.235 5.235 5.235 . 0 0 "[ ]" 1
542 1 34 LYS H 1 34 LYS QE . . 5.600 4.809 4.809 4.809 . 0 0 "[ ]" 1
543 1 34 LYS H 1 35 PHE H . . 4.500 2.134 2.134 2.134 . 0 0 "[ ]" 1
544 1 34 LYS H 1 36 LEU H . . 6.000 2.473 2.473 2.473 . 0 0 "[ ]" 1
545 1 34 LYS H 1 38 GLU H . . 6.000 5.999 5.999 5.999 . 0 0 "[ ]" 1
546 1 34 LYS HA 1 35 PHE H . . 4.600 3.514 3.514 3.514 . 0 0 "[ ]" 1
547 1 34 LYS HA 1 36 LEU H . . 6.000 4.088 4.088 4.088 . 0 0 "[ ]" 1
548 1 34 LYS HA 1 37 GLU H . . 6.000 4.018 4.018 4.018 . 0 0 "[ ]" 1
549 1 34 LYS HA 1 37 GLU HB2 . . 4.900 4.396 4.396 4.396 . 0 0 "[ ]" 1
550 1 34 LYS QB 1 35 PHE CG . . 9.000 5.591 5.591 5.591 . 0 0 "[ ]" 1
551 1 34 LYS QB 1 37 GLU H . . 7.000 5.245 5.245 5.245 . 0 0 "[ ]" 1
552 1 35 PHE CG 1 36 LEU QB . . 9.000 6.166 6.166 6.166 . 0 0 "[ ]" 1
553 1 35 PHE CG 1 38 GLU HB3 . . 8.000 3.359 3.359 3.359 . 0 0 "[ ]" 1
554 1 35 PHE CG 1 39 HIS HB3 . . 8.000 5.547 5.547 5.547 . 0 0 "[ ]" 1
555 1 35 PHE CG 1 40 PRO QG . . 9.000 8.121 8.121 8.121 . 0 0 "[ ]" 1
556 1 35 PHE CG 1 46 LEU MD1 . . 8.100 4.015 4.015 4.015 . 0 0 "[ ]" 1
557 1 35 PHE CG 1 46 LEU MD2 . . 8.900 4.725 4.725 4.725 . 0 0 "[ ]" 1
558 1 35 PHE CG 1 70 LEU MD2 . . 9.000 4.999 4.999 4.999 . 0 0 "[ ]" 1
559 1 35 PHE CG 1 74 TYR CZ . . 10.000 5.803 5.803 5.803 . 0 0 "[ ]" 1
560 1 35 PHE CZ 1 39 HIS HA . . 8.000 3.025 3.025 3.025 . 0 0 "[ ]" 1
561 1 35 PHE CZ 1 39 HIS HB2 . . 8.000 3.263 3.263 3.263 . 0 0 "[ ]" 1
562 1 35 PHE CZ 1 40 PRO HA . . 8.000 7.505 7.505 7.505 . 0 0 "[ ]" 1
563 1 35 PHE CZ 1 40 PRO HD2 . . 8.000 4.320 4.320 4.320 . 0 0 "[ ]" 1
564 1 35 PHE CZ 1 40 PRO QG . . 9.000 5.894 5.894 5.894 . 0 0 "[ ]" 1
565 1 35 PHE CZ 1 46 LEU MD1 . . 9.000 4.467 4.467 4.467 . 0 0 "[ ]" 1
566 1 35 PHE CZ 1 70 LEU HG . . 8.000 5.830 5.830 5.830 . 0 0 "[ ]" 1
567 1 35 PHE H 1 35 PHE HB2 . . 3.700 2.323 2.323 2.323 . 0 0 "[ ]" 1
568 1 35 PHE H 1 35 PHE HB3 . . 3.400 2.502 2.502 2.502 . 0 0 "[ ]" 1
569 1 35 PHE H 1 36 LEU H . . 3.400 2.829 2.829 2.829 . 0 0 "[ ]" 1
570 1 35 PHE H 1 36 LEU HG . . 6.000 4.719 4.719 4.719 . 0 0 "[ ]" 1
571 1 35 PHE HA 1 36 LEU H . . 5.000 3.509 3.509 3.509 . 0 0 "[ ]" 1
572 1 35 PHE HA 1 38 GLU H . . 6.000 3.026 3.026 3.026 . 0 0 "[ ]" 1
573 1 35 PHE HA 1 38 GLU HB2 . . 5.800 2.540 2.540 2.540 . 0 0 "[ ]" 1
574 1 35 PHE HA 1 39 HIS H . . 6.000 3.863 3.863 3.863 . 0 0 "[ ]" 1
575 1 35 PHE HB2 1 36 LEU H . . 4.000 4.057 4.057 4.057 0.057 1 0 "[ ]" 1
576 1 35 PHE HB2 1 39 HIS HB2 . . 6.000 5.842 5.842 5.842 . 0 0 "[ ]" 1
577 1 35 PHE HB2 1 74 TYR CZ . . 8.000 4.948 4.948 4.948 . 0 0 "[ ]" 1
578 1 35 PHE HZ 1 39 HIS HA . . 6.000 2.717 2.717 2.717 . 0 0 "[ ]" 1
579 1 35 PHE HZ 1 39 HIS HB3 . . 6.000 4.947 4.947 4.947 . 0 0 "[ ]" 1
580 1 35 PHE HZ 1 40 PRO HD2 . . 5.200 3.504 3.504 3.504 . 0 0 "[ ]" 1
581 1 35 PHE HZ 1 40 PRO QG . . 7.000 5.076 5.076 5.076 . 0 0 "[ ]" 1
582 1 35 PHE HZ 1 46 LEU MD1 . . 6.400 4.926 4.926 4.926 . 0 0 "[ ]" 1
583 1 35 PHE HZ 1 46 LEU MD2 . . 6.800 5.080 5.080 5.080 . 0 0 "[ ]" 1
584 1 35 PHE HZ 1 70 LEU HG . . 6.000 5.692 5.692 5.692 . 0 0 "[ ]" 1
585 1 35 PHE HZ 1 74 TYR CZ . . 8.000 7.717 7.717 7.717 . 0 0 "[ ]" 1
586 1 36 LEU H 1 36 LEU MD1 . . 4.900 3.348 3.348 3.348 . 0 0 "[ ]" 1
587 1 36 LEU H 1 36 LEU MD2 . . 4.900 3.675 3.675 3.675 . 0 0 "[ ]" 1
588 1 36 LEU H 1 36 LEU HG . . 3.800 2.316 2.316 2.316 . 0 0 "[ ]" 1
589 1 36 LEU H 1 37 GLU H . . 3.800 3.038 3.038 3.038 . 0 0 "[ ]" 1
590 1 36 LEU H 1 46 LEU MD1 . . 7.000 3.315 3.315 3.315 . 0 0 "[ ]" 1
591 1 36 LEU HA 1 36 LEU MD2 . . 3.900 2.159 2.159 2.159 . 0 0 "[ ]" 1
592 1 36 LEU HA 1 36 LEU HG . . 3.600 2.744 2.744 2.744 . 0 0 "[ ]" 1
593 1 36 LEU HA 1 37 GLU H . . 5.200 3.550 3.550 3.550 . 0 0 "[ ]" 1
594 1 36 LEU HA 1 37 GLU HA . . 5.100 4.769 4.769 4.769 . 0 0 "[ ]" 1
595 1 36 LEU HA 1 39 HIS H . . 5.900 4.204 4.204 4.204 . 0 0 "[ ]" 1
596 1 36 LEU HA 1 39 HIS HB2 . . 5.900 4.185 4.185 4.185 . 0 0 "[ ]" 1
597 1 36 LEU HA 1 43 GLU HA . . 4.200 2.750 2.750 2.750 . 0 0 "[ ]" 1
598 1 36 LEU HA 1 43 GLU QG . . 7.000 5.214 5.214 5.214 . 0 0 "[ ]" 1
599 1 36 LEU HA 1 46 LEU MD1 . . 4.400 1.964 1.964 1.964 . 0 0 "[ ]" 1
600 1 36 LEU QB 1 37 GLU H . . 5.300 2.452 2.452 2.452 . 0 0 "[ ]" 1
601 1 36 LEU QB 1 46 LEU MD1 . . 7.500 3.631 3.631 3.631 . 0 0 "[ ]" 1
602 1 36 LEU MD1 1 46 LEU HB2 . . 5.300 4.477 4.477 4.477 . 0 0 "[ ]" 1
603 1 36 LEU MD1 1 46 LEU MD1 . . 6.100 4.161 4.161 4.161 . 0 0 "[ ]" 1
604 1 36 LEU MD2 1 43 GLU HA . . 5.300 2.070 2.070 2.070 . 0 0 "[ ]" 1
605 1 36 LEU MD2 1 43 GLU QG . . 7.600 3.929 3.929 3.929 . 0 0 "[ ]" 1
606 1 36 LEU MD2 1 46 LEU HA . . 7.000 4.536 4.536 4.536 . 0 0 "[ ]" 1
607 1 36 LEU MD2 1 46 LEU HB2 . . 4.700 2.048 2.048 2.048 . 0 0 "[ ]" 1
608 1 36 LEU MD2 1 46 LEU HB3 . . 4.900 2.913 2.913 2.913 . 0 0 "[ ]" 1
609 1 36 LEU MD2 1 46 LEU MD1 . . 5.100 2.229 2.229 2.229 . 0 0 "[ ]" 1
610 1 36 LEU MD2 1 47 ARG H . . 7.000 2.995 2.995 2.995 . 0 0 "[ ]" 1
611 1 37 GLU H 1 37 GLU HB2 . . 4.200 2.275 2.275 2.275 . 0 0 "[ ]" 1
612 1 37 GLU H 1 37 GLU HB3 . . 3.500 2.539 2.539 2.539 . 0 0 "[ ]" 1
613 1 37 GLU H 1 38 GLU H . . 3.800 2.524 2.524 2.524 . 0 0 "[ ]" 1
614 1 37 GLU H 1 39 HIS H . . 6.000 4.439 4.439 4.439 . 0 0 "[ ]" 1
615 1 37 GLU H 1 43 GLU QG . . 7.000 6.270 6.270 6.270 . 0 0 "[ ]" 1
616 1 37 GLU HA 1 37 GLU HB2 . . 2.800 2.577 2.577 2.577 . 0 0 "[ ]" 1
617 1 37 GLU HA 1 38 GLU H . . 4.700 3.449 3.449 3.449 . 0 0 "[ ]" 1
618 1 37 GLU HA 1 38 GLU HA . . 4.800 4.782 4.782 4.782 . 0 0 "[ ]" 1
619 1 37 GLU HA 1 39 HIS H . . 5.400 4.984 4.984 4.984 . 0 0 "[ ]" 1
620 1 37 GLU HB2 1 38 GLU H . . 5.100 4.026 4.026 4.026 . 0 0 "[ ]" 1
621 1 37 GLU HB3 1 38 GLU H . . 4.300 3.148 3.148 3.148 . 0 0 "[ ]" 1
622 1 38 GLU H 1 39 HIS H . . 4.200 2.252 2.252 2.252 . 0 0 "[ ]" 1
623 1 38 GLU HA 1 39 HIS H . . 4.700 3.578 3.578 3.578 . 0 0 "[ ]" 1
624 1 38 GLU HB3 1 39 HIS H . . 5.000 2.555 2.555 2.555 . 0 0 "[ ]" 1
625 1 38 GLU HB3 1 39 HIS HA . . 4.800 4.022 4.022 4.022 . 0 0 "[ ]" 1
626 1 39 HIS H 1 39 HIS HB2 . . 4.200 2.284 2.284 2.284 . 0 0 "[ ]" 1
627 1 39 HIS H 1 39 HIS HB3 . . 3.800 2.659 2.659 2.659 . 0 0 "[ ]" 1
628 1 39 HIS HA 1 40 PRO HD2 . . 5.600 2.288 2.288 2.288 . 0 0 "[ ]" 1
629 1 39 HIS HA 1 40 PRO HD3 . . 5.300 2.614 2.614 2.614 . 0 0 "[ ]" 1
630 1 39 HIS HA 1 42 GLY H . . 6.000 4.506 4.506 4.506 . 0 0 "[ ]" 1
631 1 39 HIS HA 1 46 LEU MD1 . . 7.000 4.507 4.507 4.507 . 0 0 "[ ]" 1
632 1 39 HIS HB2 1 40 PRO HD3 . . 6.000 5.025 5.025 5.025 . 0 0 "[ ]" 1
633 1 39 HIS HB2 1 41 GLY H . . 6.000 4.504 4.504 4.504 . 0 0 "[ ]" 1
634 1 39 HIS HB2 1 42 GLY HA3 . . 6.000 6.070 6.070 6.070 0.070 1 0 "[ ]" 1
635 1 39 HIS HB2 1 46 LEU MD1 . . 6.100 2.235 2.235 2.235 . 0 0 "[ ]" 1
636 1 39 HIS HB3 1 40 PRO HD3 . . 6.000 5.077 5.077 5.077 . 0 0 "[ ]" 1
637 1 39 HIS HB3 1 46 LEU MD1 . . 5.900 2.727 2.727 2.727 . 0 0 "[ ]" 1
638 1 40 PRO HA 1 40 PRO HD2 . . 4.600 4.084 4.084 4.084 . 0 0 "[ ]" 1
639 1 40 PRO HA 1 40 PRO HD3 . . 4.100 3.461 3.461 3.461 . 0 0 "[ ]" 1
640 1 40 PRO HA 1 41 GLY H . . 5.300 3.450 3.450 3.450 . 0 0 "[ ]" 1
641 1 40 PRO HA 1 41 GLY HA3 . . 4.900 5.123 5.123 5.123 0.223 1 0 "[ ]" 1
642 1 40 PRO QB 1 41 GLY HA2 . . 6.000 4.381 4.381 4.381 . 0 0 "[ ]" 1
643 1 40 PRO QG 1 41 GLY HA3 . . 7.000 4.165 4.165 4.165 . 0 0 "[ ]" 1
644 1 41 GLY HA2 1 45 VAL MG2 . . 7.000 4.372 4.372 4.372 . 0 0 "[ ]" 1
645 1 41 GLY HA3 1 45 VAL HB . . 5.600 5.608 5.608 5.608 0.008 1 0 "[ ]" 1
646 1 41 GLY HA3 1 45 VAL MG2 . . 5.300 3.089 3.089 3.089 . 0 0 "[ ]" 1
647 1 42 GLY H 1 43 GLU H . . 4.400 4.513 4.513 4.513 0.113 1 0 "[ ]" 1
648 1 42 GLY HA2 1 43 GLU H . . 4.100 2.713 2.713 2.713 . 0 0 "[ ]" 1
649 1 42 GLY HA2 1 44 GLU QB . . 7.000 6.254 6.254 6.254 . 0 0 "[ ]" 1
650 1 42 GLY HA3 1 43 GLU H . . 3.900 2.252 2.252 2.252 . 0 0 "[ ]" 1
651 1 42 GLY HA3 1 43 GLU HB2 . . 5.600 5.807 5.807 5.807 0.207 1 0 "[ ]" 1
652 1 43 GLU H 1 43 GLU HB2 . . 4.000 3.633 3.633 3.633 . 0 0 "[ ]" 1
653 1 43 GLU H 1 43 GLU HB3 . . 4.000 2.882 2.882 2.882 . 0 0 "[ ]" 1
654 1 43 GLU H 1 45 VAL H . . 6.000 5.279 5.279 5.279 . 0 0 "[ ]" 1
655 1 43 GLU HA 1 44 GLU H . . 4.900 3.563 3.563 3.563 . 0 0 "[ ]" 1
656 1 43 GLU HA 1 44 GLU HA . . 5.200 5.030 5.030 5.030 . 0 0 "[ ]" 1
657 1 43 GLU HA 1 46 LEU HB2 . . 5.100 3.057 3.057 3.057 . 0 0 "[ ]" 1
658 1 43 GLU HA 1 46 LEU HB3 . . 5.600 4.669 4.669 4.669 . 0 0 "[ ]" 1
659 1 43 GLU HA 1 46 LEU MD1 . . 6.200 2.370 2.370 2.370 . 0 0 "[ ]" 1
660 1 43 GLU HA 1 47 ARG H . . 6.000 3.752 3.752 3.752 . 0 0 "[ ]" 1
661 1 43 GLU HB2 1 44 GLU H . . 5.000 3.342 3.342 3.342 . 0 0 "[ ]" 1
662 1 43 GLU HB2 1 46 LEU MD1 . . 7.000 4.501 4.501 4.501 . 0 0 "[ ]" 1
663 1 43 GLU HB2 1 47 ARG HA . . 4.500 4.994 4.994 4.994 0.494 1 0 "[ ]" 1
664 1 43 GLU HB3 1 44 GLU H . . 5.400 4.051 4.051 4.051 . 0 0 "[ ]" 1
665 1 43 GLU QG 1 44 GLU H . . 7.000 2.025 2.025 2.025 . 0 0 "[ ]" 1
666 1 43 GLU QG 1 44 GLU HA . . 6.800 3.648 3.648 3.648 . 0 0 "[ ]" 1
667 1 43 GLU QG 1 46 LEU MD1 . . 8.000 5.054 5.054 5.054 . 0 0 "[ ]" 1
668 1 44 GLU H 1 45 VAL H . . 4.300 3.423 3.423 3.423 . 0 0 "[ ]" 1
669 1 44 GLU H 1 45 VAL MG2 . . 7.000 4.585 4.585 4.585 . 0 0 "[ ]" 1
670 1 44 GLU H 1 46 LEU H . . 5.400 4.498 4.498 4.498 . 0 0 "[ ]" 1
671 1 44 GLU H 1 47 ARG H . . 6.000 4.649 4.649 4.649 . 0 0 "[ ]" 1
672 1 44 GLU HA 1 45 VAL H . . 4.600 3.568 3.568 3.568 . 0 0 "[ ]" 1
673 1 44 GLU HA 1 46 LEU H . . 5.800 4.464 4.464 4.464 . 0 0 "[ ]" 1
674 1 44 GLU HA 1 47 ARG H . . 4.900 3.896 3.896 3.896 . 0 0 "[ ]" 1
675 1 44 GLU HA 1 47 ARG QB . . 5.200 2.735 2.735 2.735 . 0 0 "[ ]" 1
676 1 44 GLU HA 1 48 GLU H . . 5.100 3.786 3.786 3.786 . 0 0 "[ ]" 1
677 1 44 GLU HA 1 48 GLU HB3 . . 4.300 4.333 4.333 4.333 0.033 1 0 "[ ]" 1
678 1 44 GLU HA 1 48 GLU QG . . 7.000 4.732 4.732 4.732 . 0 0 "[ ]" 1
679 1 44 GLU QB 1 45 VAL H . . 5.000 2.189 2.189 2.189 . 0 0 "[ ]" 1
680 1 44 GLU QB 1 45 VAL HA . . 7.000 3.755 3.755 3.755 . 0 0 "[ ]" 1
681 1 44 GLU QB 1 47 ARG QB . . 8.000 4.453 4.453 4.453 . 0 0 "[ ]" 1
682 1 44 GLU QG 1 45 VAL H . . 7.000 4.051 4.051 4.051 . 0 0 "[ ]" 1
683 1 45 VAL H 1 45 VAL HB . . 3.900 3.588 3.588 3.588 . 0 0 "[ ]" 1
684 1 45 VAL H 1 45 VAL MG1 . . 4.000 1.985 1.985 1.985 . 0 0 "[ ]" 1
685 1 45 VAL H 1 45 VAL MG2 . . 4.000 2.250 2.250 2.250 . 0 0 "[ ]" 1
686 1 45 VAL H 1 46 LEU H . . 3.700 2.810 2.810 2.810 . 0 0 "[ ]" 1
687 1 45 VAL H 1 47 ARG H . . 5.500 4.335 4.335 4.335 . 0 0 "[ ]" 1
688 1 45 VAL HA 1 46 LEU H . . 5.200 3.546 3.546 3.546 . 0 0 "[ ]" 1
689 1 45 VAL HA 1 46 LEU HA . . 6.000 4.804 4.804 4.804 . 0 0 "[ ]" 1
690 1 45 VAL HA 1 47 ARG H . . 6.000 4.746 4.746 4.746 . 0 0 "[ ]" 1
691 1 45 VAL HB 1 46 LEU H . . 4.200 3.981 3.981 3.981 . 0 0 "[ ]" 1
692 1 45 VAL MG1 1 46 LEU HG . . 6.100 4.787 4.787 4.787 . 0 0 "[ ]" 1
693 1 45 VAL MG1 1 48 GLU QG . . 6.300 4.165 4.165 4.165 . 0 0 "[ ]" 1
694 1 45 VAL MG2 1 46 LEU H . . 5.400 2.327 2.327 2.327 . 0 0 "[ ]" 1
695 1 45 VAL MG2 1 46 LEU HA . . 7.000 3.480 3.480 3.480 . 0 0 "[ ]" 1
696 1 45 VAL MG2 1 46 LEU MD1 . . 5.600 3.419 3.419 3.419 . 0 0 "[ ]" 1
697 1 45 VAL MG2 1 46 LEU MD2 . . 4.800 2.936 2.936 2.936 . 0 0 "[ ]" 1
698 1 45 VAL MG2 1 46 LEU HG . . 5.700 2.273 2.273 2.273 . 0 0 "[ ]" 1
699 1 46 LEU H 1 46 LEU HB2 . . 3.700 2.551 2.551 2.551 . 0 0 "[ ]" 1
700 1 46 LEU H 1 46 LEU HB3 . . 3.900 3.628 3.628 3.628 . 0 0 "[ ]" 1
701 1 46 LEU H 1 46 LEU MD1 . . 4.900 3.345 3.345 3.345 . 0 0 "[ ]" 1
702 1 46 LEU H 1 46 LEU MD2 . . 4.700 3.582 3.582 3.582 . 0 0 "[ ]" 1
703 1 46 LEU H 1 46 LEU HG . . 4.000 2.281 2.281 2.281 . 0 0 "[ ]" 1
704 1 46 LEU H 1 47 ARG H . . 3.600 2.366 2.366 2.366 . 0 0 "[ ]" 1
705 1 46 LEU H 1 48 GLU H . . 5.300 4.108 4.108 4.108 . 0 0 "[ ]" 1
706 1 46 LEU HA 1 46 LEU MD2 . . 3.700 2.211 2.211 2.211 . 0 0 "[ ]" 1
707 1 46 LEU HA 1 47 ARG H . . 5.100 3.520 3.520 3.520 . 0 0 "[ ]" 1
708 1 46 LEU HA 1 47 ARG HA . . 4.700 4.773 4.773 4.773 0.073 1 0 "[ ]" 1
709 1 46 LEU HA 1 49 GLN H . . 5.100 3.788 3.788 3.788 . 0 0 "[ ]" 1
710 1 46 LEU HA 1 49 GLN QB . . 6.700 3.585 3.585 3.585 . 0 0 "[ ]" 1
711 1 46 LEU HA 1 50 ALA H . . 6.000 4.938 4.938 4.938 . 0 0 "[ ]" 1
712 1 46 LEU HB2 1 49 GLN QB . . 7.000 6.028 6.028 6.028 . 0 0 "[ ]" 1
713 1 46 LEU HB3 1 47 ARG H . . 4.700 3.464 3.464 3.464 . 0 0 "[ ]" 1
714 1 46 LEU MD1 1 47 ARG QB . . 8.000 4.838 4.838 4.838 . 0 0 "[ ]" 1
715 1 47 ARG H 1 48 GLU H . . 3.600 2.945 2.945 2.945 . 0 0 "[ ]" 1
716 1 47 ARG H 1 49 GLN H . . 5.800 4.191 4.191 4.191 . 0 0 "[ ]" 1
717 1 47 ARG HA 1 48 GLU H . . 5.100 3.608 3.608 3.608 . 0 0 "[ ]" 1
718 1 47 ARG HA 1 49 GLN H . . 6.000 3.959 3.959 3.959 . 0 0 "[ ]" 1
719 1 47 ARG HA 1 50 ALA H . . 4.700 3.517 3.517 3.517 . 0 0 "[ ]" 1
720 1 47 ARG HA 1 50 ALA MB . . 3.600 2.411 2.411 2.411 . 0 0 "[ ]" 1
721 1 47 ARG QB 1 48 GLU H . . 5.200 2.378 2.378 2.378 . 0 0 "[ ]" 1
722 1 48 GLU H 1 48 GLU HB3 . . 3.500 2.418 2.418 2.418 . 0 0 "[ ]" 1
723 1 48 GLU H 1 49 GLN H . . 3.800 2.842 2.842 2.842 . 0 0 "[ ]" 1
724 1 48 GLU H 1 50 ALA H . . 5.400 4.134 4.134 4.134 . 0 0 "[ ]" 1
725 1 48 GLU HA 1 49 GLN H . . 4.700 3.439 3.439 3.439 . 0 0 "[ ]" 1
726 1 48 GLU HA 1 49 GLN HA . . 4.400 4.484 4.484 4.484 0.084 1 0 "[ ]" 1
727 1 48 GLU HA 1 50 ALA H . . 5.200 3.808 3.808 3.808 . 0 0 "[ ]" 1
728 1 48 GLU HB3 1 49 GLN H . . 4.900 4.344 4.344 4.344 . 0 0 "[ ]" 1
729 1 49 GLN H 1 50 ALA H . . 3.500 2.116 2.116 2.116 . 0 0 "[ ]" 1
730 1 49 GLN H 1 50 ALA MB . . 4.100 3.481 3.481 3.481 . 0 0 "[ ]" 1
731 1 49 GLN HA 1 50 ALA H . . 4.700 3.234 3.234 3.234 . 0 0 "[ ]" 1
732 1 49 GLN HA 1 52 GLY H . . 5.100 5.115 5.115 5.115 0.015 1 0 "[ ]" 1
733 1 49 GLN QB 1 50 ALA H . . 6.400 3.597 3.597 3.597 . 0 0 "[ ]" 1
734 1 49 GLN QB 1 57 ASN HA . . 7.000 6.285 6.285 6.285 . 0 0 "[ ]" 1
735 1 49 GLN QG 1 54 ALA MB . . 5.700 2.095 2.095 2.095 . 0 0 "[ ]" 1
736 1 50 ALA H 1 50 ALA MB . . 3.400 2.187 2.187 2.187 . 0 0 "[ ]" 1
737 1 50 ALA H 1 51 GLY H . . 5.200 4.602 4.602 4.602 . 0 0 "[ ]" 1
738 1 50 ALA HA 1 51 GLY H . . 3.000 2.296 2.296 2.296 . 0 0 "[ ]" 1
739 1 50 ALA HA 1 52 GLY H . . 5.400 3.120 3.120 3.120 . 0 0 "[ ]" 1
740 1 50 ALA MB 1 51 GLY H . . 3.400 2.625 2.625 2.625 . 0 0 "[ ]" 1
741 1 50 ALA MB 1 51 GLY HA2 . . 6.000 4.441 4.441 4.441 . 0 0 "[ ]" 1
742 1 51 GLY H 1 52 GLY H . . 3.900 2.762 2.762 2.762 . 0 0 "[ ]" 1
743 1 51 GLY HA2 1 52 GLY H . . 5.300 2.804 2.804 2.804 . 0 0 "[ ]" 1
744 1 51 GLY HA2 1 52 GLY HA3 . . 4.500 4.867 4.867 4.867 0.367 1 0 "[ ]" 1
745 1 51 GLY HA3 1 52 GLY H . . 5.000 3.613 3.613 3.613 . 0 0 "[ ]" 1
746 1 51 GLY HA3 1 52 GLY HA2 . . 4.400 4.718 4.718 4.718 0.318 1 0 "[ ]" 1
747 1 52 GLY HA2 1 53 ASP H . . 5.200 2.439 2.439 2.439 . 0 0 "[ ]" 1
748 1 52 GLY HA3 1 53 ASP H . . 4.700 2.632 2.632 2.632 . 0 0 "[ ]" 1
749 1 53 ASP H 1 53 ASP HB2 . . 3.900 3.504 3.504 3.504 . 0 0 "[ ]" 1
750 1 53 ASP H 1 53 ASP HB3 . . 3.900 2.709 2.709 2.709 . 0 0 "[ ]" 1
751 1 53 ASP HA 1 54 ALA H . . 3.800 2.493 2.493 2.493 . 0 0 "[ ]" 1
752 1 53 ASP HA 1 55 THR H . . 5.800 3.372 3.372 3.372 . 0 0 "[ ]" 1
753 1 53 ASP HA 1 56 GLU H . . 5.200 5.248 5.248 5.248 0.048 1 0 "[ ]" 1
754 1 53 ASP HB3 1 87 ILE QG . . 7.000 2.320 2.320 2.320 . 0 0 "[ ]" 1
755 1 54 ALA H 1 54 ALA MB . . 3.500 2.191 2.191 2.191 . 0 0 "[ ]" 1
756 1 54 ALA H 1 55 THR H . . 3.800 2.806 2.806 2.806 . 0 0 "[ ]" 1
757 1 54 ALA H 1 56 GLU H . . 6.000 5.058 5.058 5.058 . 0 0 "[ ]" 1
758 1 54 ALA HA 1 55 THR H . . 4.100 3.448 3.448 3.448 . 0 0 "[ ]" 1
759 1 54 ALA HA 1 56 GLU QG . . 7.000 4.843 4.843 4.843 . 0 0 "[ ]" 1
760 1 54 ALA HA 1 57 ASN H . . 5.700 3.360 3.360 3.360 . 0 0 "[ ]" 1
761 1 54 ALA HA 1 57 ASN HB3 . . 6.000 3.364 3.364 3.364 . 0 0 "[ ]" 1
762 1 54 ALA HA 1 58 PHE H . . 5.900 3.912 3.912 3.912 . 0 0 "[ ]" 1
763 1 54 ALA MB 1 55 THR H . . 4.500 3.008 3.008 3.008 . 0 0 "[ ]" 1
764 1 54 ALA MB 1 56 GLU QG . . 7.400 5.554 5.554 5.554 . 0 0 "[ ]" 1
765 1 54 ALA MB 1 57 ASN H . . 6.200 4.454 4.454 4.454 . 0 0 "[ ]" 1
766 1 54 ALA MB 1 58 PHE H . . 5.500 3.711 3.711 3.711 . 0 0 "[ ]" 1
767 1 54 ALA MB 1 58 PHE QB . . 8.000 2.990 2.990 2.990 . 0 0 "[ ]" 1
768 1 55 THR H 1 55 THR HB . . 4.100 2.669 2.669 2.669 . 0 0 "[ ]" 1
769 1 55 THR H 1 56 GLU H . . 4.400 3.254 3.254 3.254 . 0 0 "[ ]" 1
770 1 55 THR H 1 56 GLU HB2 . . 5.600 5.619 5.619 5.619 0.019 1 0 "[ ]" 1
771 1 55 THR H 1 56 GLU QG . . 7.000 4.257 4.257 4.257 . 0 0 "[ ]" 1
772 1 55 THR H 1 58 PHE H . . 5.900 4.851 4.851 4.851 . 0 0 "[ ]" 1
773 1 55 THR HA 1 55 THR MG . . 3.700 2.453 2.453 2.453 . 0 0 "[ ]" 1
774 1 55 THR HA 1 56 GLU H . . 4.500 3.526 3.526 3.526 . 0 0 "[ ]" 1
775 1 55 THR HA 1 58 PHE H . . 6.000 4.435 4.435 4.435 . 0 0 "[ ]" 1
776 1 55 THR HA 1 58 PHE QB . . 5.500 3.214 3.214 3.214 . 0 0 "[ ]" 1
777 1 55 THR HA 1 59 GLU H . . 6.000 4.264 4.264 4.264 . 0 0 "[ ]" 1
778 1 55 THR HA 1 59 GLU QB . . 7.000 4.959 4.959 4.959 . 0 0 "[ ]" 1
779 1 55 THR HA 1 59 GLU QG . . 7.000 4.311 4.311 4.311 . 0 0 "[ ]" 1
780 1 55 THR HA 1 87 ILE QG . . 7.000 5.849 5.849 5.849 . 0 0 "[ ]" 1
781 1 55 THR HB 1 56 GLU H . . 3.600 2.294 2.294 2.294 . 0 0 "[ ]" 1
782 1 55 THR HB 1 56 GLU HB3 . . 6.000 5.190 5.190 5.190 . 0 0 "[ ]" 1
783 1 55 THR HB 1 58 PHE H . . 6.000 5.540 5.540 5.540 . 0 0 "[ ]" 1
784 1 55 THR MG 1 56 GLU H . . 5.300 2.986 2.986 2.986 . 0 0 "[ ]" 1
785 1 55 THR MG 1 56 GLU HA . . 5.500 3.080 3.080 3.080 . 0 0 "[ ]" 1
786 1 55 THR MG 1 57 ASN H . . 7.000 5.154 5.154 5.154 . 0 0 "[ ]" 1
787 1 55 THR MG 1 58 PHE H . . 7.000 5.142 5.142 5.142 . 0 0 "[ ]" 1
788 1 55 THR MG 1 58 PHE QB . . 8.000 4.566 4.566 4.566 . 0 0 "[ ]" 1
789 1 55 THR MG 1 59 GLU H . . 7.000 4.465 4.465 4.465 . 0 0 "[ ]" 1
790 1 56 GLU H 1 56 GLU HB2 . . 3.000 2.551 2.551 2.551 . 0 0 "[ ]" 1
791 1 56 GLU H 1 56 GLU HB3 . . 4.200 3.523 3.523 3.523 . 0 0 "[ ]" 1
792 1 56 GLU H 1 57 ASN H . . 3.600 2.758 2.758 2.758 . 0 0 "[ ]" 1
793 1 56 GLU H 1 58 PHE H . . 5.500 3.720 3.720 3.720 . 0 0 "[ ]" 1
794 1 56 GLU H 1 59 GLU H . . 6.000 4.673 4.673 4.673 . 0 0 "[ ]" 1
795 1 56 GLU H 1 60 ASP H . . 6.000 5.693 5.693 5.693 . 0 0 "[ ]" 1
796 1 56 GLU HA 1 56 GLU HB2 . . 3.100 3.016 3.016 3.016 . 0 0 "[ ]" 1
797 1 56 GLU HA 1 57 ASN H . . 5.400 3.620 3.620 3.620 . 0 0 "[ ]" 1
798 1 56 GLU HA 1 57 ASN HA . . 4.800 4.727 4.727 4.727 . 0 0 "[ ]" 1
799 1 56 GLU HA 1 59 GLU H . . 6.000 3.498 3.498 3.498 . 0 0 "[ ]" 1
800 1 56 GLU HA 1 59 GLU QB . . 7.000 5.074 5.074 5.074 . 0 0 "[ ]" 1
801 1 56 GLU HA 1 60 ASP H . . 5.900 3.522 3.522 3.522 . 0 0 "[ ]" 1
802 1 56 GLU HA 1 60 ASP HB3 . . 4.800 4.347 4.347 4.347 . 0 0 "[ ]" 1
803 1 56 GLU HB2 1 57 ASN H . . 3.300 2.145 2.145 2.145 . 0 0 "[ ]" 1
804 1 56 GLU HB2 1 57 ASN HA . . 4.900 4.132 4.132 4.132 . 0 0 "[ ]" 1
805 1 56 GLU HB2 1 59 GLU H . . 5.500 5.615 5.615 5.615 0.115 1 0 "[ ]" 1
806 1 56 GLU HB2 1 60 ASP H . . 6.000 5.495 5.495 5.495 . 0 0 "[ ]" 1
807 1 56 GLU QG 1 59 GLU QB . . 8.000 6.412 6.412 6.412 . 0 0 "[ ]" 1
808 1 57 ASN H 1 57 ASN HB3 . . 3.600 2.730 2.730 2.730 . 0 0 "[ ]" 1
809 1 57 ASN H 1 58 PHE H . . 3.400 2.694 2.694 2.694 . 0 0 "[ ]" 1
810 1 57 ASN H 1 58 PHE QB . . 4.900 4.335 4.335 4.335 . 0 0 "[ ]" 1
811 1 57 ASN H 1 59 GLU H . . 6.000 4.700 4.700 4.700 . 0 0 "[ ]" 1
812 1 57 ASN H 1 60 ASP H . . 6.000 4.949 4.949 4.949 . 0 0 "[ ]" 1
813 1 57 ASN HA 1 58 PHE QB . . 5.900 5.036 5.036 5.036 . 0 0 "[ ]" 1
814 1 57 ASN HA 1 59 GLU H . . 6.000 4.850 4.850 4.850 . 0 0 "[ ]" 1
815 1 57 ASN HA 1 60 ASP H . . 5.400 3.946 3.946 3.946 . 0 0 "[ ]" 1
816 1 57 ASN HA 1 60 ASP HB2 . . 6.000 4.582 4.582 4.582 . 0 0 "[ ]" 1
817 1 57 ASN HA 1 60 ASP HB3 . . 5.100 3.172 3.172 3.172 . 0 0 "[ ]" 1
818 1 57 ASN HA 1 61 VAL H . . 6.000 4.566 4.566 4.566 . 0 0 "[ ]" 1
819 1 57 ASN HB3 1 58 PHE H . . 3.400 3.332 3.332 3.332 . 0 0 "[ ]" 1
820 1 57 ASN HB3 1 61 VAL MG1 . . 7.000 6.297 6.297 6.297 . 0 0 "[ ]" 1
821 1 58 PHE H 1 59 GLU H . . 4.000 2.786 2.786 2.786 . 0 0 "[ ]" 1
822 1 58 PHE H 1 59 GLU QG . . 7.000 4.677 4.677 4.677 . 0 0 "[ ]" 1
823 1 58 PHE H 1 60 ASP H . . 5.500 3.996 3.996 3.996 . 0 0 "[ ]" 1
824 1 58 PHE H 1 61 VAL MG1 . . 7.000 5.536 5.536 5.536 . 0 0 "[ ]" 1
825 1 58 PHE HA 1 60 ASP H . . 6.000 4.783 4.783 4.783 . 0 0 "[ ]" 1
826 1 58 PHE HA 1 61 VAL H . . 6.000 4.180 4.180 4.180 . 0 0 "[ ]" 1
827 1 58 PHE QB 1 59 GLU H . . 5.300 2.452 2.452 2.452 . 0 0 "[ ]" 1
828 1 58 PHE QB 1 59 GLU QB . . 8.000 3.910 3.910 3.910 . 0 0 "[ ]" 1
829 1 58 PHE QB 1 59 GLU QG . . 7.900 4.115 4.115 4.115 . 0 0 "[ ]" 1
830 1 58 PHE QB 1 61 VAL H . . 7.000 5.271 5.271 5.271 . 0 0 "[ ]" 1
831 1 58 PHE QB 1 61 VAL MG1 . . 8.000 4.968 4.968 4.968 . 0 0 "[ ]" 1
832 1 58 PHE QB 1 61 VAL MG2 . . 8.000 5.380 5.380 5.380 . 0 0 "[ ]" 1
833 1 58 PHE QB 1 71 SER QB . . 8.000 5.899 5.899 5.899 . 0 0 "[ ]" 1
834 1 59 GLU H 1 60 ASP H . . 4.000 2.531 2.531 2.531 . 0 0 "[ ]" 1
835 1 59 GLU H 1 61 VAL H . . 6.000 4.151 4.151 4.151 . 0 0 "[ ]" 1
836 1 59 GLU QB 1 60 ASP H . . 5.600 3.833 3.833 3.833 . 0 0 "[ ]" 1
837 1 59 GLU QB 1 60 ASP HB2 . . 7.000 5.387 5.387 5.387 . 0 0 "[ ]" 1
838 1 59 GLU QB 1 60 ASP HB3 . . 7.000 5.998 5.998 5.998 . 0 0 "[ ]" 1
839 1 59 GLU QB 1 68 ARG H . . 7.000 6.262 6.262 6.262 . 0 0 "[ ]" 1
840 1 59 GLU QB 1 68 ARG HA . . 7.000 5.228 5.228 5.228 . 0 0 "[ ]" 1
841 1 59 GLU QG 1 60 ASP H . . 7.000 3.098 3.098 3.098 . 0 0 "[ ]" 1
842 1 60 ASP H 1 60 ASP HB2 . . 3.800 2.478 2.478 2.478 . 0 0 "[ ]" 1
843 1 60 ASP H 1 60 ASP HB3 . . 3.200 2.529 2.529 2.529 . 0 0 "[ ]" 1
844 1 60 ASP H 1 61 VAL H . . 3.900 2.785 2.785 2.785 . 0 0 "[ ]" 1
845 1 60 ASP H 1 61 VAL MG1 . . 7.000 5.061 5.061 5.061 . 0 0 "[ ]" 1
846 1 60 ASP H 1 62 GLY H . . 6.000 4.714 4.714 4.714 . 0 0 "[ ]" 1
847 1 60 ASP HA 1 61 VAL H . . 4.700 3.439 3.439 3.439 . 0 0 "[ ]" 1
848 1 60 ASP HA 1 62 GLY H . . 5.200 3.289 3.289 3.289 . 0 0 "[ ]" 1
849 1 60 ASP HB2 1 61 VAL H . . 4.700 4.474 4.474 4.474 . 0 0 "[ ]" 1
850 1 60 ASP HB2 1 62 GLY H . . 5.400 5.430 5.430 5.430 0.030 1 0 "[ ]" 1
851 1 60 ASP HB3 1 61 VAL H . . 4.600 3.681 3.681 3.681 . 0 0 "[ ]" 1
852 1 60 ASP HB3 1 61 VAL MG1 . . 7.000 5.701 5.701 5.701 . 0 0 "[ ]" 1
853 1 60 ASP HB3 1 62 GLY H . . 5.000 4.961 4.961 4.961 . 0 0 "[ ]" 1
854 1 61 VAL H 1 61 VAL HB . . 3.500 2.123 2.123 2.123 . 0 0 "[ ]" 1
855 1 61 VAL H 1 61 VAL MG1 . . 3.800 2.815 2.815 2.815 . 0 0 "[ ]" 1
856 1 61 VAL H 1 62 GLY H . . 3.700 2.737 2.737 2.737 . 0 0 "[ ]" 1
857 1 61 VAL H 1 63 HIS HA . . 5.500 5.618 5.618 5.618 0.118 1 0 "[ ]" 1
858 1 61 VAL HA 1 61 VAL MG1 . . 3.700 3.194 3.194 3.194 . 0 0 "[ ]" 1
859 1 61 VAL HA 1 62 GLY H . . 5.300 3.165 3.165 3.165 . 0 0 "[ ]" 1
860 1 61 VAL HA 1 62 GLY HA2 . . 5.100 5.064 5.064 5.064 . 0 0 "[ ]" 1
861 1 61 VAL HA 1 62 GLY HA3 . . 4.800 4.581 4.581 4.581 . 0 0 "[ ]" 1
862 1 61 VAL HB 1 62 GLY H . . 4.300 4.198 4.198 4.198 . 0 0 "[ ]" 1
863 1 61 VAL MG1 1 62 GLY H . . 7.000 3.532 3.532 3.532 . 0 0 "[ ]" 1
864 1 61 VAL MG1 1 63 HIS H . . 5.400 2.665 2.665 2.665 . 0 0 "[ ]" 1
865 1 61 VAL MG1 1 63 HIS HA . . 6.700 3.213 3.213 3.213 . 0 0 "[ ]" 1
866 1 61 VAL MG2 1 62 GLY H . . 6.500 4.454 4.454 4.454 . 0 0 "[ ]" 1
867 1 61 VAL MG2 1 63 HIS HA . . 7.000 5.535 5.535 5.535 . 0 0 "[ ]" 1
868 1 62 GLY H 1 63 HIS H . . 4.100 2.506 2.506 2.506 . 0 0 "[ ]" 1
869 1 62 GLY HA2 1 63 HIS H . . 5.000 2.951 2.951 2.951 . 0 0 "[ ]" 1
870 1 62 GLY HA3 1 63 HIS H . . 4.400 3.586 3.586 3.586 . 0 0 "[ ]" 1
871 1 63 HIS HA 1 63 HIS HD2 . . 5.000 2.567 2.567 2.567 . 0 0 "[ ]" 1
872 1 63 HIS HA 1 64 SER H . . 3.200 2.297 2.297 2.297 . 0 0 "[ ]" 1
873 1 63 HIS HA 1 64 SER HA . . 4.800 4.516 4.516 4.516 . 0 0 "[ ]" 1
874 1 63 HIS HA 1 67 ALA MB . . 4.300 3.596 3.596 3.596 . 0 0 "[ ]" 1
875 1 63 HIS QB 1 64 SER H . . 7.000 3.132 3.132 3.132 . 0 0 "[ ]" 1
876 1 63 HIS QB 1 67 ALA MB . . 5.700 2.139 2.139 2.139 . 0 0 "[ ]" 1
877 1 63 HIS QB 1 68 ARG HA . . 7.000 4.934 4.934 4.934 . 0 0 "[ ]" 1
878 1 63 HIS HD2 1 67 ALA MB . . 3.600 2.393 2.393 2.393 . 0 0 "[ ]" 1
879 1 64 SER H 1 67 ALA MB . . 3.800 3.192 3.192 3.192 . 0 0 "[ ]" 1
880 1 64 SER H 1 68 ARG H . . 6.000 5.607 5.607 5.607 . 0 0 "[ ]" 1
881 1 64 SER HA 1 65 THR H . . 4.200 2.343 2.343 2.343 . 0 0 "[ ]" 1
882 1 64 SER HA 1 65 THR HA . . 5.000 4.362 4.362 4.362 . 0 0 "[ ]" 1
883 1 64 SER QB 1 65 THR H . . 7.000 2.941 2.941 2.941 . 0 0 "[ ]" 1
884 1 65 THR H 1 65 THR HB . . 4.300 2.702 2.702 2.702 . 0 0 "[ ]" 1
885 1 65 THR H 1 65 THR MG . . 4.300 3.603 3.603 3.603 . 0 0 "[ ]" 1
886 1 65 THR H 1 66 ASP QB . . 7.000 5.030 5.030 5.030 . 0 0 "[ ]" 1
887 1 65 THR H 1 68 ARG H . . 6.000 5.077 5.077 5.077 . 0 0 "[ ]" 1
888 1 65 THR HA 1 66 ASP H . . 5.200 3.559 3.559 3.559 . 0 0 "[ ]" 1
889 1 65 THR HA 1 68 ARG H . . 5.000 3.299 3.299 3.299 . 0 0 "[ ]" 1
890 1 65 THR HA 1 68 ARG QB . . 5.400 2.697 2.697 2.697 . 0 0 "[ ]" 1
891 1 65 THR HB 1 66 ASP H . . 4.400 2.675 2.675 2.675 . 0 0 "[ ]" 1
892 1 65 THR MG 1 66 ASP H . . 6.100 3.822 3.822 3.822 . 0 0 "[ ]" 1
893 1 65 THR MG 1 68 ARG H . . 5.400 4.311 4.311 4.311 . 0 0 "[ ]" 1
894 1 65 THR MG 1 68 ARG HA . . 7.000 5.709 5.709 5.709 . 0 0 "[ ]" 1
895 1 65 THR MG 1 68 ARG QB . . 8.000 3.119 3.119 3.119 . 0 0 "[ ]" 1
896 1 65 THR MG 1 69 GLU H . . 6.300 3.760 3.760 3.760 . 0 0 "[ ]" 1
897 1 65 THR MG 1 69 GLU QB . . 8.000 3.167 3.167 3.167 . 0 0 "[ ]" 1
898 1 65 THR MG 1 69 GLU QG . . 6.400 3.773 3.773 3.773 . 0 0 "[ ]" 1
899 1 66 ASP H 1 67 ALA H . . 4.100 2.914 2.914 2.914 . 0 0 "[ ]" 1
900 1 66 ASP HA 1 69 GLU H . . 5.800 3.325 3.325 3.325 . 0 0 "[ ]" 1
901 1 66 ASP HA 1 69 GLU HA . . 5.400 5.431 5.431 5.431 0.031 1 0 "[ ]" 1
902 1 66 ASP HA 1 69 GLU QB . . 6.700 2.948 2.948 2.948 . 0 0 "[ ]" 1
903 1 66 ASP HA 1 69 GLU QG . . 7.000 4.898 4.898 4.898 . 0 0 "[ ]" 1
904 1 66 ASP QB 1 67 ALA H . . 5.500 2.350 2.350 2.350 . 0 0 "[ ]" 1
905 1 67 ALA H 1 67 ALA MB . . 3.400 2.200 2.200 2.200 . 0 0 "[ ]" 1
906 1 67 ALA H 1 68 ARG H . . 4.000 2.535 2.535 2.535 . 0 0 "[ ]" 1
907 1 67 ALA HA 1 70 LEU H . . 6.000 4.112 4.112 4.112 . 0 0 "[ ]" 1
908 1 67 ALA HA 1 70 LEU HB3 . . 5.700 4.446 4.446 4.446 . 0 0 "[ ]" 1
909 1 67 ALA HA 1 71 SER H . . 6.000 4.841 4.841 4.841 . 0 0 "[ ]" 1
910 1 67 ALA MB 1 68 ARG H . . 3.400 2.855 2.855 2.855 . 0 0 "[ ]" 1
911 1 67 ALA MB 1 70 LEU MD2 . . 8.000 5.445 5.445 5.445 . 0 0 "[ ]" 1
912 1 68 ARG H 1 69 GLU H . . 3.800 2.412 2.412 2.412 . 0 0 "[ ]" 1
913 1 68 ARG H 1 70 LEU H . . 5.300 4.379 4.379 4.379 . 0 0 "[ ]" 1
914 1 68 ARG HA 1 69 GLU H . . 4.300 3.598 3.598 3.598 . 0 0 "[ ]" 1
915 1 68 ARG HA 1 69 GLU HA . . 5.200 4.603 4.603 4.603 . 0 0 "[ ]" 1
916 1 68 ARG HA 1 69 GLU QG . . 7.000 6.199 6.199 6.199 . 0 0 "[ ]" 1
917 1 68 ARG HA 1 70 LEU H . . 6.000 4.782 4.782 4.782 . 0 0 "[ ]" 1
918 1 68 ARG HA 1 71 SER H . . 6.000 3.480 3.480 3.480 . 0 0 "[ ]" 1
919 1 68 ARG HA 1 71 SER HA . . 4.900 5.006 5.006 5.006 0.106 1 0 "[ ]" 1
920 1 68 ARG HA 1 71 SER QB . . 5.800 2.414 2.414 2.414 . 0 0 "[ ]" 1
921 1 68 ARG QB 1 69 GLU H . . 5.500 2.657 2.657 2.657 . 0 0 "[ ]" 1
922 1 68 ARG QB 1 69 GLU QG . . 8.000 4.685 4.685 4.685 . 0 0 "[ ]" 1
923 1 69 GLU H 1 70 LEU H . . 3.900 2.857 2.857 2.857 . 0 0 "[ ]" 1
924 1 69 GLU HA 1 70 LEU H . . 4.700 3.607 3.607 3.607 . 0 0 "[ ]" 1
925 1 69 GLU HA 1 72 LYS H . . 5.600 3.694 3.694 3.694 . 0 0 "[ ]" 1
926 1 69 GLU HA 1 72 LYS QB . . 7.000 4.897 4.897 4.897 . 0 0 "[ ]" 1
927 1 69 GLU HA 1 72 LYS QD . . 7.000 3.607 3.607 3.607 . 0 0 "[ ]" 1
928 1 69 GLU HA 1 72 LYS QG . . 6.100 2.776 2.776 2.776 . 0 0 "[ ]" 1
929 1 69 GLU HA 1 73 THR H . . 6.000 6.007 6.007 6.007 0.007 1 0 "[ ]" 1
930 1 69 GLU QB 1 70 LEU H . . 4.600 2.693 2.693 2.693 . 0 0 "[ ]" 1
931 1 69 GLU QG 1 72 LYS QG . . 8.000 3.280 3.280 3.280 . 0 0 "[ ]" 1
932 1 70 LEU H 1 70 LEU HB3 . . 3.500 2.266 2.266 2.266 . 0 0 "[ ]" 1
933 1 70 LEU H 1 71 SER H . . 4.000 2.679 2.679 2.679 . 0 0 "[ ]" 1
934 1 70 LEU HA 1 71 SER H . . 4.900 3.459 3.459 3.459 . 0 0 "[ ]" 1
935 1 70 LEU HA 1 71 SER QB . . 6.100 5.281 5.281 5.281 . 0 0 "[ ]" 1
936 1 70 LEU HB2 1 71 SER H . . 4.400 4.406 4.406 4.406 0.006 1 0 "[ ]" 1
937 1 70 LEU HB3 1 71 SER H . . 4.000 3.963 3.963 3.963 . 0 0 "[ ]" 1
938 1 70 LEU HB3 1 73 THR HB . . 6.000 5.064 5.064 5.064 . 0 0 "[ ]" 1
939 1 70 LEU MD2 1 74 TYR CG . . 7.600 4.105 4.105 4.105 . 0 0 "[ ]" 1
940 1 70 LEU HG 1 71 SER H . . 6.000 4.560 4.560 4.560 . 0 0 "[ ]" 1
941 1 70 LEU HG 1 74 TYR CZ . . 8.000 5.659 5.659 5.659 . 0 0 "[ ]" 1
942 1 71 SER H 1 72 LYS H . . 4.200 2.743 2.743 2.743 . 0 0 "[ ]" 1
943 1 72 LYS H 1 72 LYS QD . . 5.700 3.970 3.970 3.970 . 0 0 "[ ]" 1
944 1 72 LYS H 1 73 THR H . . 4.000 2.878 2.878 2.878 . 0 0 "[ ]" 1
945 1 72 LYS HA 1 72 LYS QE . . 5.600 3.889 3.889 3.889 . 0 0 "[ ]" 1
946 1 72 LYS HA 1 73 THR H . . 4.200 3.133 3.133 3.133 . 0 0 "[ ]" 1
947 1 72 LYS HA 1 73 THR MG . . 6.100 5.098 5.098 5.098 . 0 0 "[ ]" 1
948 1 72 LYS HA 1 75 ILE H . . 5.600 4.481 4.481 4.481 . 0 0 "[ ]" 1
949 1 72 LYS HA 1 75 ILE QG . . 7.000 2.605 2.605 2.605 . 0 0 "[ ]" 1
950 1 72 LYS QB 1 73 THR H . . 5.400 4.104 4.104 4.104 . 0 0 "[ ]" 1
951 1 72 LYS QB 1 74 TYR CG . . 9.000 7.601 7.601 7.601 . 0 0 "[ ]" 1
952 1 72 LYS QB 1 74 TYR CZ . . 9.000 9.105 9.105 9.105 0.105 1 0 "[ ]" 1
953 1 72 LYS QD 1 73 THR HB . . 6.900 5.610 5.610 5.610 . 0 0 "[ ]" 1
954 1 72 LYS QE 1 73 THR H . . 7.000 3.230 3.230 3.230 . 0 0 "[ ]" 1
955 1 72 LYS QE 1 73 THR HB . . 7.000 3.375 3.375 3.375 . 0 0 "[ ]" 1
956 1 72 LYS QE 1 74 TYR CZ . . 9.000 8.299 8.299 8.299 . 0 0 "[ ]" 1
957 1 73 THR H 1 73 THR HB . . 3.700 2.430 2.430 2.430 . 0 0 "[ ]" 1
958 1 73 THR H 1 73 THR MG . . 4.500 2.599 2.599 2.599 . 0 0 "[ ]" 1
959 1 73 THR H 1 74 TYR H . . 3.800 2.303 2.303 2.303 . 0 0 "[ ]" 1
960 1 73 THR HA 1 74 TYR H . . 4.400 3.565 3.565 3.565 . 0 0 "[ ]" 1
961 1 73 THR HB 1 74 TYR CG . . 8.000 5.518 5.518 5.518 . 0 0 "[ ]" 1
962 1 73 THR HB 1 74 TYR CZ . . 8.000 5.911 5.911 5.911 . 0 0 "[ ]" 1
963 1 73 THR HB 1 74 TYR H . . 4.300 3.829 3.829 3.829 . 0 0 "[ ]" 1
964 1 73 THR HB 1 74 TYR QB . . 6.500 5.794 5.794 5.794 . 0 0 "[ ]" 1
965 1 73 THR MG 1 74 TYR CG . . 9.000 2.837 2.837 2.837 . 0 0 "[ ]" 1
966 1 73 THR MG 1 74 TYR CZ . . 8.900 3.219 3.219 3.219 . 0 0 "[ ]" 1
967 1 73 THR MG 1 74 TYR H . . 7.000 2.361 2.361 2.361 . 0 0 "[ ]" 1
968 1 73 THR MG 1 75 ILE QG . . 7.200 5.241 5.241 5.241 . 0 0 "[ ]" 1
969 1 74 TYR CZ 1 74 TYR H . . 7.000 4.976 4.976 4.976 . 0 0 "[ ]" 1
970 1 74 TYR H 1 75 ILE H . . 3.600 3.104 3.104 3.104 . 0 0 "[ ]" 1
971 1 75 ILE H 1 75 ILE HB . . 3.400 3.456 3.456 3.456 0.056 1 0 "[ ]" 1
972 1 75 ILE H 1 75 ILE MG . . 4.800 4.002 4.002 4.002 . 0 0 "[ ]" 1
973 1 75 ILE HA 1 76 ILE H . . 2.800 2.139 2.139 2.139 . 0 0 "[ ]" 1
974 1 75 ILE HA 1 76 ILE HG12 . . 6.000 4.287 4.287 4.287 . 0 0 "[ ]" 1
975 1 75 ILE HA 1 76 ILE MG . . 5.000 4.169 4.169 4.169 . 0 0 "[ ]" 1
976 1 75 ILE HA 1 77 GLY H . . 4.200 3.017 3.017 3.017 . 0 0 "[ ]" 1
977 1 75 ILE HB 1 77 GLY H . . 5.700 5.044 5.044 5.044 . 0 0 "[ ]" 1
978 1 75 ILE QG 1 76 ILE H . . 7.000 4.274 4.274 4.274 . 0 0 "[ ]" 1
979 1 75 ILE QG 1 77 GLY H . . 7.000 4.461 4.461 4.461 . 0 0 "[ ]" 1
980 1 75 ILE MG 1 76 ILE H . . 4.100 3.378 3.378 3.378 . 0 0 "[ ]" 1
981 1 75 ILE MG 1 76 ILE HG12 . . 6.100 5.233 5.233 5.233 . 0 0 "[ ]" 1
982 1 75 ILE MG 1 77 GLY H . . 3.700 2.731 2.731 2.731 . 0 0 "[ ]" 1
983 1 75 ILE MG 1 77 GLY HA2 . . 4.600 3.422 3.422 3.422 . 0 0 "[ ]" 1
984 1 76 ILE H 1 76 ILE MD . . 5.500 3.915 3.915 3.915 . 0 0 "[ ]" 1
985 1 76 ILE H 1 76 ILE HG12 . . 4.100 2.309 2.309 2.309 . 0 0 "[ ]" 1
986 1 76 ILE H 1 76 ILE HG13 . . 4.400 2.847 2.847 2.847 . 0 0 "[ ]" 1
987 1 76 ILE H 1 76 ILE MG . . 4.200 2.703 2.703 2.703 . 0 0 "[ ]" 1
988 1 76 ILE H 1 77 GLY H . . 3.000 2.174 2.174 2.174 . 0 0 "[ ]" 1
989 1 76 ILE HB 1 76 ILE MD . . 3.600 2.296 2.296 2.296 . 0 0 "[ ]" 1
990 1 76 ILE MD 1 77 GLY H . . 7.000 4.399 4.399 4.399 . 0 0 "[ ]" 1
991 1 76 ILE HG12 1 77 GLY H . . 6.000 3.515 3.515 3.515 . 0 0 "[ ]" 1
992 1 76 ILE HG13 1 77 GLY H . . 6.000 2.819 2.819 2.819 . 0 0 "[ ]" 1
993 1 76 ILE MG 1 77 GLY H . . 6.500 4.228 4.228 4.228 . 0 0 "[ ]" 1
994 1 77 GLY H 1 78 GLU H . . 5.400 4.394 4.394 4.394 . 0 0 "[ ]" 1
995 1 77 GLY HA2 1 78 GLU H . . 4.200 2.583 2.583 2.583 . 0 0 "[ ]" 1
996 1 77 GLY HA2 1 78 GLU HA . . 5.300 4.610 4.610 4.610 . 0 0 "[ ]" 1
997 1 77 GLY HA2 1 78 GLU QG . . 7.000 4.295 4.295 4.295 . 0 0 "[ ]" 1
998 1 77 GLY HA3 1 78 GLU H . . 4.300 2.527 2.527 2.527 . 0 0 "[ ]" 1
999 1 78 GLU H 1 79 LEU H . . 4.900 2.913 2.913 2.913 . 0 0 "[ ]" 1
1000 1 78 GLU HA 1 79 LEU QD . . 4.800 4.258 4.258 4.258 . 0 0 "[ ]" 1
1001 1 79 LEU H 1 79 LEU QD . . 4.400 3.697 3.697 3.697 . 0 0 "[ ]" 1
1002 1 79 LEU H 1 80 HIS H . . 4.300 4.175 4.175 4.175 . 0 0 "[ ]" 1
1003 1 79 LEU QB 1 87 ILE MD . . 7.500 3.704 3.704 3.704 . 0 0 "[ ]" 1
1004 1 79 LEU QD 1 80 HIS H . . 5.600 3.072 3.072 3.072 . 0 0 "[ ]" 1
1005 1 79 LEU QD 1 83 ASP H . . 7.000 4.451 4.451 4.451 . 0 0 "[ ]" 1
1006 1 79 LEU QD 1 83 ASP QB . . 6.100 2.091 2.091 2.091 . 0 0 "[ ]" 1
1007 1 79 LEU QD 1 84 ARG HA . . 6.700 3.770 3.770 3.770 . 0 0 "[ ]" 1
1008 1 79 LEU QD 1 84 ARG QB . . 8.000 4.392 4.392 4.392 . 0 0 "[ ]" 1
1009 1 79 LEU QD 1 87 ILE HB . . 6.700 4.693 4.693 4.693 . 0 0 "[ ]" 1
1010 1 79 LEU QD 1 87 ILE QG . . 5.300 3.356 3.356 3.356 . 0 0 "[ ]" 1
1011 1 79 LEU HG 1 80 HIS H . . 6.000 2.287 2.287 2.287 . 0 0 "[ ]" 1
1012 1 79 LEU HG 1 83 ASP HA . . 6.000 5.516 5.516 5.516 . 0 0 "[ ]" 1
1013 1 80 HIS H 1 80 HIS HD2 . . 6.000 4.866 4.866 4.866 . 0 0 "[ ]" 1
1014 1 80 HIS HA 1 80 HIS HD2 . . 5.200 3.231 3.231 3.231 . 0 0 "[ ]" 1
1015 1 80 HIS HA 1 81 PRO HD2 . . 4.600 2.280 2.280 2.280 . 0 0 "[ ]" 1
1016 1 80 HIS QB 1 82 ASP H . . 7.000 3.511 3.511 3.511 . 0 0 "[ ]" 1
1017 1 80 HIS HD2 1 81 PRO HD2 . . 6.000 3.216 3.216 3.216 . 0 0 "[ ]" 1
1018 1 80 HIS HE1 1 81 PRO HA . . 5.700 5.705 5.705 5.705 0.005 1 0 "[ ]" 1
1019 1 81 PRO HA 1 81 PRO HD3 . . 3.700 3.577 3.577 3.577 . 0 0 "[ ]" 1
1020 1 81 PRO HA 1 82 ASP H . . 5.000 2.517 2.517 2.517 . 0 0 "[ ]" 1
1021 1 81 PRO HA 1 84 ARG H . . 5.800 3.447 3.447 3.447 . 0 0 "[ ]" 1
1022 1 81 PRO HA 1 84 ARG QB . . 6.300 2.429 2.429 2.429 . 0 0 "[ ]" 1
1023 1 81 PRO HA 1 84 ARG QG . . 7.000 4.265 4.265 4.265 . 0 0 "[ ]" 1
1024 1 81 PRO QB 1 82 ASP H . . 5.500 4.012 4.012 4.012 . 0 0 "[ ]" 1
1025 1 81 PRO QB 1 82 ASP QB . . 8.000 4.847 4.847 4.847 . 0 0 "[ ]" 1
1026 1 81 PRO QB 1 83 ASP H . . 6.500 5.812 5.812 5.812 . 0 0 "[ ]" 1
1027 1 81 PRO HD2 1 82 ASP H . . 6.000 4.479 4.479 4.479 . 0 0 "[ ]" 1
1028 1 81 PRO HD3 1 82 ASP H . . 6.000 4.801 4.801 4.801 . 0 0 "[ ]" 1
1029 1 81 PRO QG 1 82 ASP QB . . 8.000 4.491 4.491 4.491 . 0 0 "[ ]" 1
1030 1 82 ASP H 1 83 ASP H . . 3.500 2.100 2.100 2.100 . 0 0 "[ ]" 1
1031 1 82 ASP H 1 84 ARG H . . 5.900 2.265 2.265 2.265 . 0 0 "[ ]" 1
1032 1 82 ASP H 1 84 ARG QD . . 7.000 4.489 4.489 4.489 . 0 0 "[ ]" 1
1033 1 82 ASP H 1 86 LYS QG . . 7.000 5.535 5.535 5.535 . 0 0 "[ ]" 1
1034 1 82 ASP HA 1 83 ASP H . . 4.600 3.562 3.562 3.562 . 0 0 "[ ]" 1
1035 1 82 ASP HA 1 84 ARG H . . 6.000 4.082 4.082 4.082 . 0 0 "[ ]" 1
1036 1 82 ASP HA 1 85 SER QB . . 7.000 4.224 4.224 4.224 . 0 0 "[ ]" 1
1037 1 82 ASP QB 1 83 ASP H . . 5.800 2.207 2.207 2.207 . 0 0 "[ ]" 1
1038 1 82 ASP QB 1 84 ARG QB . . 8.000 4.917 4.917 4.917 . 0 0 "[ ]" 1
1039 1 83 ASP H 1 84 ARG H . . 3.500 2.774 2.774 2.774 . 0 0 "[ ]" 1
1040 1 83 ASP H 1 84 ARG HA . . 5.400 5.406 5.406 5.406 0.006 1 0 "[ ]" 1
1041 1 83 ASP H 1 85 SER H . . 6.000 4.426 4.426 4.426 . 0 0 "[ ]" 1
1042 1 83 ASP HA 1 84 ARG H . . 4.100 3.463 3.463 3.463 . 0 0 "[ ]" 1
1043 1 83 ASP HA 1 86 LYS H . . 6.000 3.227 3.227 3.227 . 0 0 "[ ]" 1
1044 1 83 ASP HA 1 86 LYS HA . . 6.000 5.046 5.046 5.046 . 0 0 "[ ]" 1
1045 1 83 ASP HA 1 86 LYS QB . . 4.800 3.170 3.170 3.170 . 0 0 "[ ]" 1
1046 1 83 ASP HA 1 86 LYS QE . . 7.000 3.056 3.056 3.056 . 0 0 "[ ]" 1
1047 1 83 ASP HA 1 86 LYS QG . . 7.000 1.954 1.954 1.954 . 0 0 "[ ]" 1
1048 1 83 ASP QB 1 86 LYS QB . . 7.000 3.604 3.604 3.604 . 0 0 "[ ]" 1
1049 1 83 ASP QB 1 86 LYS QE . . 7.300 4.524 4.524 4.524 . 0 0 "[ ]" 1
1050 1 83 ASP QB 1 87 ILE MD . . 8.000 2.850 2.850 2.850 . 0 0 "[ ]" 1
1051 1 84 ARG H 1 84 ARG QB . . 3.800 2.085 2.085 2.085 . 0 0 "[ ]" 1
1052 1 84 ARG H 1 86 LYS QG . . 7.000 4.637 4.637 4.637 . 0 0 "[ ]" 1
1053 1 84 ARG HA 1 85 SER H . . 5.100 3.542 3.542 3.542 . 0 0 "[ ]" 1
1054 1 84 ARG HA 1 85 SER HA . . 4.400 4.501 4.501 4.501 0.101 1 0 "[ ]" 1
1055 1 84 ARG HA 1 87 ILE H . . 5.700 4.266 4.266 4.266 . 0 0 "[ ]" 1
1056 1 85 SER QB 1 86 LYS HA . . 6.300 4.595 4.595 4.595 . 0 0 "[ ]" 1
1057 1 86 LYS H 1 86 LYS QB . . 3.600 2.460 2.460 2.460 . 0 0 "[ ]" 1
1058 1 86 LYS H 1 87 ILE H . . 4.500 2.228 2.228 2.228 . 0 0 "[ ]" 1
1059 1 86 LYS HA 1 87 ILE H . . 4.100 3.586 3.586 3.586 . 0 0 "[ ]" 1
1060 1 86 LYS QB 1 87 ILE H . . 4.500 2.417 2.417 2.417 . 0 0 "[ ]" 1
1061 1 86 LYS QB 1 87 ILE HA . . 3.600 3.926 3.926 3.926 0.326 1 0 "[ ]" 1
1062 1 87 ILE H 1 87 ILE HB . . 3.700 2.528 2.528 2.528 . 0 0 "[ ]" 1
1063 1 87 ILE H 1 87 ILE MD . . 4.000 1.911 1.911 1.911 . 0 0 "[ ]" 1
1064 1 87 ILE H 1 88 ALA H . . 4.300 4.309 4.309 4.309 0.009 1 0 "[ ]" 1
1065 1 87 ILE HA 1 87 ILE MD . . 4.600 3.288 3.288 3.288 . 0 0 "[ ]" 1
1066 1 87 ILE HA 1 88 ALA H . . 3.900 2.179 2.179 2.179 . 0 0 "[ ]" 1
1067 1 87 ILE HB 1 88 ALA H . . 4.700 4.429 4.429 4.429 . 0 0 "[ ]" 1
1068 1 87 ILE QG 1 88 ALA H . . 7.000 4.482 4.482 4.482 . 0 0 "[ ]" 1
1069 1 88 ALA H 1 88 ALA MB . . 3.400 2.876 2.876 2.876 . 0 0 "[ ]" 1
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