NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
439357 |
2k6n   |
15874 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k6n
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 983
_Distance_constraint_stats_list.Viol_count 85
_Distance_constraint_stats_list.Viol_total 6.123
_Distance_constraint_stats_list.Viol_max 0.991
_Distance_constraint_stats_list.Viol_rms 0.0486
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0062
_Distance_constraint_stats_list.Viol_average_violations_only 0.0720
_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 8 THR 0.000 0.000 . 0 "[ ]"
1 9 ILE 0.086 0.086 1 0 "[ ]"
1 10 TYR 0.198 0.140 1 0 "[ ]"
1 11 PRO 0.093 0.080 1 0 "[ ]"
1 12 LEU 0.066 0.034 1 0 "[ ]"
1 13 ALA 0.080 0.080 1 0 "[ ]"
1 14 ASP 0.164 0.078 1 0 "[ ]"
1 15 LEU 0.183 0.059 1 0 "[ ]"
1 16 LEU 0.288 0.078 1 0 "[ ]"
1 17 ALA 0.095 0.059 1 0 "[ ]"
1 18 ARG 0.091 0.062 1 0 "[ ]"
1 19 PRO 0.000 0.000 . 0 "[ ]"
1 20 LEU 0.062 0.062 1 0 "[ ]"
1 21 PRO 0.430 0.206 1 0 "[ ]"
1 22 GLU 0.493 0.206 1 0 "[ ]"
1 23 GLY 0.000 0.000 . 0 "[ ]"
1 24 VAL 0.245 0.117 1 0 "[ ]"
1 25 ASP 0.108 0.090 1 0 "[ ]"
1 26 PRO 0.039 0.039 1 0 "[ ]"
1 27 LEU 0.125 0.058 1 0 "[ ]"
1 28 LYS 0.058 0.058 1 0 "[ ]"
1 29 LEU 0.062 0.038 1 0 "[ ]"
1 30 GLU 1.993 0.991 1 1 [+]
1 31 ILE 0.000 0.000 . 0 "[ ]"
1 32 TYR 0.166 0.078 1 0 "[ ]"
1 33 LEU 0.179 0.094 1 0 "[ ]"
1 34 THR 0.133 0.086 1 0 "[ ]"
1 35 ASP 0.332 0.165 1 0 "[ ]"
1 36 GLU 0.112 0.057 1 0 "[ ]"
1 37 ASP 0.291 0.165 1 0 "[ ]"
1 38 PHE 0.241 0.086 1 0 "[ ]"
1 39 GLU 0.294 0.141 1 0 "[ ]"
1 40 PHE 0.000 0.000 . 0 "[ ]"
1 41 ALA 0.000 0.000 . 0 "[ ]"
1 42 LEU 0.356 0.155 1 0 "[ ]"
1 43 ASP 0.015 0.015 1 0 "[ ]"
1 44 MET 0.134 0.134 1 0 "[ ]"
1 45 THR 0.175 0.167 1 0 "[ ]"
1 46 ARG 0.032 0.025 1 0 "[ ]"
1 47 ASP 0.000 0.000 . 0 "[ ]"
1 48 GLU 0.224 0.164 1 0 "[ ]"
1 49 TYR 0.170 0.164 1 0 "[ ]"
1 50 ASN 0.261 0.167 1 0 "[ ]"
1 51 ALA 0.002 0.002 1 0 "[ ]"
1 52 LEU 0.010 0.010 1 0 "[ ]"
1 53 PRO 0.036 0.024 1 0 "[ ]"
1 54 ALA 0.071 0.071 1 0 "[ ]"
1 55 TRP 0.548 0.181 1 0 "[ ]"
1 56 LYS 0.056 0.034 1 0 "[ ]"
1 57 GLN 0.080 0.034 1 0 "[ ]"
1 58 VAL 0.071 0.071 1 0 "[ ]"
1 59 ASN 0.434 0.181 1 0 "[ ]"
1 60 LEU 0.031 0.016 1 0 "[ ]"
1 61 LYS 2.089 0.991 1 1 [+]
1 62 LYS 0.008 0.005 1 0 "[ ]"
1 63 ALA 0.018 0.018 1 0 "[ ]"
1 64 LYS 0.004 0.004 1 0 "[ ]"
1 65 GLY 0.018 0.018 1 0 "[ ]"
1 66 LEU 0.111 0.049 1 0 "[ ]"
1 67 PHE 0.372 0.155 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 8 THR H 1 9 ILE H 4.500 . 5.200 4.338 4.338 4.338 . 0 0 "[ ]" 1
2 1 8 THR H 1 9 ILE HA 4.500 . 5.200 4.862 4.862 4.862 . 0 0 "[ ]" 1
3 1 8 THR HA 1 9 ILE H 2.700 . 3.300 2.150 2.150 2.150 . 0 0 "[ ]" 1
4 1 8 THR HA 1 9 ILE MD 4.500 . 5.700 3.039 3.039 3.039 . 0 0 "[ ]" 1
5 1 8 THR MG 1 9 ILE H 4.500 . 5.700 4.028 4.028 4.028 . 0 0 "[ ]" 1
6 1 8 THR MG 1 10 TYR QD 4.500 . 5.700 3.301 3.301 3.301 . 0 0 "[ ]" 1
7 1 8 THR MG 1 10 TYR QE 2.700 . 3.800 2.078 2.078 2.078 . 0 0 "[ ]" 1
8 1 9 ILE H 1 9 ILE MD 4.500 . 5.700 2.248 2.248 2.248 . 0 0 "[ ]" 1
9 1 9 ILE H 1 9 ILE HG12 4.500 . 5.200 3.753 3.753 3.753 . 0 0 "[ ]" 1
10 1 9 ILE H 1 9 ILE HG13 4.500 . 5.200 4.179 4.179 4.179 . 0 0 "[ ]" 1
11 1 9 ILE H 1 9 ILE MG 4.500 . 5.700 3.644 3.644 3.644 . 0 0 "[ ]" 1
12 1 9 ILE H 1 34 THR H 4.500 . 5.200 5.286 5.286 5.286 0.086 1 0 "[ ]" 1
13 1 9 ILE HA 1 9 ILE MD 4.500 . 5.700 2.059 2.059 2.059 . 0 0 "[ ]" 1
14 1 9 ILE HA 1 9 ILE MG 2.700 . 3.800 2.578 2.578 2.578 . 0 0 "[ ]" 1
15 1 9 ILE HA 1 10 TYR H 4.500 . 5.200 2.224 2.224 2.224 . 0 0 "[ ]" 1
16 1 9 ILE HB 1 10 TYR H 4.500 . 5.200 4.133 4.133 4.133 . 0 0 "[ ]" 1
17 1 9 ILE MD 1 10 TYR H 4.500 . 5.700 3.973 3.973 3.973 . 0 0 "[ ]" 1
18 1 9 ILE MD 1 32 TYR HA 4.500 . 5.700 3.415 3.415 3.415 . 0 0 "[ ]" 1
19 1 9 ILE MD 1 34 THR H 4.500 . 5.700 3.532 3.532 3.532 . 0 0 "[ ]" 1
20 1 9 ILE MD 1 34 THR MG 4.500 . 5.700 3.285 3.285 3.285 . 0 0 "[ ]" 1
21 1 9 ILE HG12 1 10 TYR H 4.500 . 5.200 5.093 5.093 5.093 . 0 0 "[ ]" 1
22 1 9 ILE MG 1 10 TYR H 4.500 . 5.700 2.213 2.213 2.213 . 0 0 "[ ]" 1
23 1 9 ILE MG 1 12 LEU H 4.500 . 5.700 3.861 3.861 3.861 . 0 0 "[ ]" 1
24 1 9 ILE MG 1 34 THR H 4.500 . 5.700 1.863 1.863 1.863 . 0 0 "[ ]" 1
25 1 10 TYR H 1 10 TYR QD 4.500 . 5.700 2.415 2.415 2.415 . 0 0 "[ ]" 1
26 1 10 TYR H 1 11 PRO HD2 4.500 . 5.200 4.747 4.747 4.747 . 0 0 "[ ]" 1
27 1 10 TYR H 1 11 PRO HD3 4.500 . 5.200 5.213 5.213 5.213 0.013 1 0 "[ ]" 1
28 1 10 TYR H 1 15 LEU MD1 4.500 . 5.700 4.424 4.424 4.424 . 0 0 "[ ]" 1
29 1 10 TYR H 1 15 LEU MD2 4.500 . 5.700 3.481 3.481 3.481 . 0 0 "[ ]" 1
30 1 10 TYR H 1 32 TYR HB2 4.500 . 5.200 3.180 3.180 3.180 . 0 0 "[ ]" 1
31 1 10 TYR H 1 32 TYR HB3 4.500 . 5.200 4.938 4.938 4.938 . 0 0 "[ ]" 1
32 1 10 TYR H 1 32 TYR QD 4.500 . 5.700 3.668 3.668 3.668 . 0 0 "[ ]" 1
33 1 10 TYR H 1 33 LEU HA 4.500 . 5.200 3.981 3.981 3.981 . 0 0 "[ ]" 1
34 1 10 TYR HA 1 11 PRO HD2 4.500 . 5.200 2.113 2.113 2.113 . 0 0 "[ ]" 1
35 1 10 TYR HA 1 11 PRO HD3 4.500 . 5.200 2.587 2.587 2.587 . 0 0 "[ ]" 1
36 1 10 TYR HB2 1 10 TYR QD 2.700 . 3.800 2.765 2.765 2.765 . 0 0 "[ ]" 1
37 1 10 TYR HB2 1 11 PRO HD2 4.500 . 5.200 3.901 3.901 3.901 . 0 0 "[ ]" 1
38 1 10 TYR HB2 1 15 LEU MD1 4.500 . 5.700 3.395 3.395 3.395 . 0 0 "[ ]" 1
39 1 10 TYR HB2 1 15 LEU MD2 4.500 . 5.700 1.952 1.952 1.952 . 0 0 "[ ]" 1
40 1 10 TYR HB3 1 11 PRO HD2 4.500 . 5.200 2.465 2.465 2.465 . 0 0 "[ ]" 1
41 1 10 TYR HB3 1 15 LEU MD1 4.500 . 5.700 4.205 4.205 4.205 . 0 0 "[ ]" 1
42 1 10 TYR HB3 1 15 LEU MD2 4.500 . 5.700 2.022 2.022 2.022 . 0 0 "[ ]" 1
43 1 10 TYR QD 1 11 PRO HD2 4.500 . 5.700 3.965 3.965 3.965 . 0 0 "[ ]" 1
44 1 10 TYR QD 1 11 PRO HD3 4.500 . 5.700 4.728 4.728 4.728 . 0 0 "[ ]" 1
45 1 10 TYR QD 1 14 ASP HB3 4.500 . 5.700 5.684 5.684 5.684 . 0 0 "[ ]" 1
46 1 10 TYR QD 1 15 LEU MD1 4.500 . 5.700 4.900 4.900 4.900 . 0 0 "[ ]" 1
47 1 10 TYR QD 1 15 LEU MD2 4.500 . 5.700 3.089 3.089 3.089 . 0 0 "[ ]" 1
48 1 10 TYR QD 1 21 PRO HB3 4.500 . 5.700 4.129 4.129 4.129 . 0 0 "[ ]" 1
49 1 10 TYR QD 1 21 PRO HG2 4.500 . 5.700 2.300 2.300 2.300 . 0 0 "[ ]" 1
50 1 10 TYR QD 1 21 PRO HG3 4.500 . 5.700 3.904 3.904 3.904 . 0 0 "[ ]" 1
51 1 10 TYR QD 1 22 GLU HA 4.500 . 5.700 5.840 5.840 5.840 0.140 1 0 "[ ]" 1
52 1 10 TYR QD 1 24 VAL HA 4.500 . 5.700 3.833 3.833 3.833 . 0 0 "[ ]" 1
53 1 10 TYR QD 1 24 VAL MG1 4.500 . 5.700 3.591 3.591 3.591 . 0 0 "[ ]" 1
54 1 10 TYR QD 1 24 VAL MG2 4.500 . 5.700 1.813 1.813 1.813 . 0 0 "[ ]" 1
55 1 10 TYR QD 1 32 TYR HA 4.500 . 5.700 5.746 5.746 5.746 0.046 1 0 "[ ]" 1
56 1 10 TYR QD 1 32 TYR HB2 4.500 . 5.700 4.077 4.077 4.077 . 0 0 "[ ]" 1
57 1 10 TYR QD 1 32 TYR HB3 4.500 . 5.700 5.337 5.337 5.337 . 0 0 "[ ]" 1
58 1 10 TYR QD 1 32 TYR QD 4.500 . 5.700 4.763 4.763 4.763 . 0 0 "[ ]" 1
59 1 10 TYR QE 1 15 LEU MD2 4.500 . 5.700 4.972 4.972 4.972 . 0 0 "[ ]" 1
60 1 10 TYR QE 1 21 PRO HB3 4.500 . 5.700 3.306 3.306 3.306 . 0 0 "[ ]" 1
61 1 10 TYR QE 1 21 PRO HG2 4.500 . 5.700 3.083 3.083 3.083 . 0 0 "[ ]" 1
62 1 10 TYR QE 1 21 PRO HG3 4.500 . 5.700 4.372 4.372 4.372 . 0 0 "[ ]" 1
63 1 10 TYR QE 1 24 VAL H 4.500 . 5.700 2.039 2.039 2.039 . 0 0 "[ ]" 1
64 1 10 TYR QE 1 24 VAL MG1 4.500 . 5.700 4.570 4.570 4.570 . 0 0 "[ ]" 1
65 1 10 TYR QE 1 24 VAL MG2 4.500 . 5.700 3.485 3.485 3.485 . 0 0 "[ ]" 1
66 1 10 TYR QE 1 32 TYR QD 4.500 . 5.700 5.454 5.454 5.454 . 0 0 "[ ]" 1
67 1 11 PRO HA 1 12 LEU H 2.700 . 3.300 2.149 2.149 2.149 . 0 0 "[ ]" 1
68 1 11 PRO HA 1 12 LEU HG 4.500 . 5.200 3.476 3.476 3.476 . 0 0 "[ ]" 1
69 1 11 PRO HA 1 13 ALA H 4.500 . 5.200 3.970 3.970 3.970 . 0 0 "[ ]" 1
70 1 11 PRO HB2 1 12 LEU H 4.500 . 5.200 3.917 3.917 3.917 . 0 0 "[ ]" 1
71 1 11 PRO HB2 1 13 ALA H 4.500 . 5.200 3.388 3.388 3.388 . 0 0 "[ ]" 1
72 1 11 PRO HB2 1 14 ASP H 4.500 . 5.200 2.382 2.382 2.382 . 0 0 "[ ]" 1
73 1 11 PRO HB3 1 12 LEU H 4.500 . 5.200 4.131 4.131 4.131 . 0 0 "[ ]" 1
74 1 11 PRO HB3 1 13 ALA H 4.500 . 5.200 4.503 4.503 4.503 . 0 0 "[ ]" 1
75 1 11 PRO HB3 1 14 ASP H 4.500 . 5.200 4.125 4.125 4.125 . 0 0 "[ ]" 1
76 1 11 PRO HG2 1 13 ALA H 4.500 . 5.200 5.280 5.280 5.280 0.080 1 0 "[ ]" 1
77 1 11 PRO HG3 1 14 ASP H 4.500 . 5.200 4.582 4.582 4.582 . 0 0 "[ ]" 1
78 1 12 LEU H 1 12 LEU MD1 4.500 . 5.700 3.614 3.614 3.614 . 0 0 "[ ]" 1
79 1 12 LEU H 1 12 LEU MD2 4.500 . 5.700 2.872 2.872 2.872 . 0 0 "[ ]" 1
80 1 12 LEU H 1 12 LEU HG 4.500 . 5.200 2.037 2.037 2.037 . 0 0 "[ ]" 1
81 1 12 LEU H 1 13 ALA H 4.500 . 5.200 3.091 3.091 3.091 . 0 0 "[ ]" 1
82 1 12 LEU H 1 15 LEU H 4.500 . 5.200 5.099 5.099 5.099 . 0 0 "[ ]" 1
83 1 12 LEU H 1 33 LEU MD2 4.500 . 5.700 5.596 5.596 5.596 . 0 0 "[ ]" 1
84 1 12 LEU H 1 37 ASP HB2 4.500 . 5.200 3.949 3.949 3.949 . 0 0 "[ ]" 1
85 1 12 LEU H 1 37 ASP HB3 4.500 . 5.200 5.233 5.233 5.233 0.033 1 0 "[ ]" 1
86 1 12 LEU HA 1 12 LEU MD1 4.500 . 5.700 3.819 3.819 3.819 . 0 0 "[ ]" 1
87 1 12 LEU HA 1 12 LEU MD2 4.500 . 5.700 3.933 3.933 3.933 . 0 0 "[ ]" 1
88 1 12 LEU HA 1 13 ALA H 4.500 . 5.200 3.570 3.570 3.570 . 0 0 "[ ]" 1
89 1 12 LEU HA 1 15 LEU H 4.500 . 5.200 3.766 3.766 3.766 . 0 0 "[ ]" 1
90 1 12 LEU HA 1 15 LEU MD1 4.500 . 5.700 1.918 1.918 1.918 . 0 0 "[ ]" 1
91 1 12 LEU HA 1 33 LEU MD2 4.500 . 5.700 4.207 4.207 4.207 . 0 0 "[ ]" 1
92 1 12 LEU HB2 1 13 ALA H 4.500 . 5.200 3.391 3.391 3.391 . 0 0 "[ ]" 1
93 1 12 LEU HB2 1 15 LEU H 4.500 . 5.200 5.234 5.234 5.234 0.034 1 0 "[ ]" 1
94 1 12 LEU HB3 1 13 ALA H 4.500 . 5.200 4.015 4.015 4.015 . 0 0 "[ ]" 1
95 1 12 LEU MD1 1 13 ALA HA 4.500 . 5.700 2.950 2.950 2.950 . 0 0 "[ ]" 1
96 1 12 LEU MD1 1 41 ALA H 4.500 . 5.700 5.443 5.443 5.443 . 0 0 "[ ]" 1
97 1 12 LEU MD2 1 13 ALA H 4.500 . 5.700 3.889 3.889 3.889 . 0 0 "[ ]" 1
98 1 12 LEU MD2 1 40 PHE QD 2.700 . 3.800 3.121 3.121 3.121 . 0 0 "[ ]" 1
99 1 12 LEU MD2 1 40 PHE QE 4.500 . 5.700 4.684 4.684 4.684 . 0 0 "[ ]" 1
100 1 12 LEU MD2 1 41 ALA H 4.500 . 5.700 3.966 3.966 3.966 . 0 0 "[ ]" 1
101 1 12 LEU MD2 1 41 ALA HA 4.500 . 5.700 4.539 4.539 4.539 . 0 0 "[ ]" 1
102 1 12 LEU HG 1 13 ALA H 4.500 . 5.200 2.306 2.306 2.306 . 0 0 "[ ]" 1
103 1 13 ALA H 1 13 ALA HA 2.700 . 3.300 2.811 2.811 2.811 . 0 0 "[ ]" 1
104 1 13 ALA H 1 14 ASP H 4.500 . 5.200 2.813 2.813 2.813 . 0 0 "[ ]" 1
105 1 13 ALA H 1 14 ASP HB2 4.500 . 5.200 4.392 4.392 4.392 . 0 0 "[ ]" 1
106 1 13 ALA H 1 15 LEU H 4.500 . 5.200 3.960 3.960 3.960 . 0 0 "[ ]" 1
107 1 13 ALA H 1 16 LEU H 4.500 . 5.200 4.360 4.360 4.360 . 0 0 "[ ]" 1
108 1 13 ALA H 1 16 LEU MD2 4.500 . 5.700 4.923 4.923 4.923 . 0 0 "[ ]" 1
109 1 13 ALA HA 1 14 ASP H 4.500 . 5.200 3.532 3.532 3.532 . 0 0 "[ ]" 1
110 1 13 ALA HA 1 15 LEU H 4.500 . 5.200 3.819 3.819 3.819 . 0 0 "[ ]" 1
111 1 13 ALA HA 1 16 LEU H 4.500 . 5.200 3.200 3.200 3.200 . 0 0 "[ ]" 1
112 1 13 ALA HA 1 16 LEU MD2 2.700 . 3.800 3.445 3.445 3.445 . 0 0 "[ ]" 1
113 1 13 ALA HA 1 17 ALA H 4.500 . 5.200 4.482 4.482 4.482 . 0 0 "[ ]" 1
114 1 13 ALA MB 1 14 ASP H 4.500 . 5.700 2.347 2.347 2.347 . 0 0 "[ ]" 1
115 1 13 ALA MB 1 14 ASP HB2 4.500 . 5.700 3.916 3.916 3.916 . 0 0 "[ ]" 1
116 1 13 ALA MB 1 15 LEU H 4.500 . 5.700 4.131 4.131 4.131 . 0 0 "[ ]" 1
117 1 13 ALA O 1 16 LEU H 2.300 . 2.500 2.416 2.416 2.416 . 0 0 "[ ]" 1
118 1 14 ASP H 1 14 ASP HA 2.700 . 3.300 2.723 2.723 2.723 . 0 0 "[ ]" 1
119 1 14 ASP H 1 15 LEU MD1 4.500 . 5.700 5.240 5.240 5.240 . 0 0 "[ ]" 1
120 1 14 ASP H 1 15 LEU MD2 4.500 . 5.700 4.035 4.035 4.035 . 0 0 "[ ]" 1
121 1 14 ASP H 1 18 ARG HG3 4.500 . 5.200 5.229 5.229 5.229 0.029 1 0 "[ ]" 1
122 1 14 ASP HA 1 15 LEU H 4.500 . 5.200 3.467 3.467 3.467 . 0 0 "[ ]" 1
123 1 14 ASP HB2 1 15 LEU H 4.500 . 5.200 3.428 3.428 3.428 . 0 0 "[ ]" 1
124 1 14 ASP HB2 1 16 LEU H 4.500 . 5.200 5.257 5.257 5.257 0.057 1 0 "[ ]" 1
125 1 14 ASP HB3 1 15 LEU H 4.500 . 5.200 3.383 3.383 3.383 . 0 0 "[ ]" 1
126 1 14 ASP HB3 1 16 LEU H 4.500 . 5.200 5.278 5.278 5.278 0.078 1 0 "[ ]" 1
127 1 15 LEU H 1 15 LEU MD1 4.500 . 5.700 3.382 3.382 3.382 . 0 0 "[ ]" 1
128 1 15 LEU H 1 15 LEU MD2 4.500 . 5.700 2.911 2.911 2.911 . 0 0 "[ ]" 1
129 1 15 LEU H 1 15 LEU HG 4.500 . 5.200 1.750 1.750 1.750 0.050 1 0 "[ ]" 1
130 1 15 LEU H 1 17 ALA H 4.500 . 5.200 3.708 3.708 3.708 . 0 0 "[ ]" 1
131 1 15 LEU H 1 66 LEU MD2 4.500 . 5.700 5.721 5.721 5.721 0.021 1 0 "[ ]" 1
132 1 15 LEU HA 1 15 LEU MD1 4.500 . 5.700 4.011 4.011 4.011 . 0 0 "[ ]" 1
133 1 15 LEU HA 1 15 LEU MD2 4.500 . 5.700 3.675 3.675 3.675 . 0 0 "[ ]" 1
134 1 15 LEU HB2 1 16 LEU H 4.500 . 5.200 3.677 3.677 3.677 . 0 0 "[ ]" 1
135 1 15 LEU HB2 1 17 ALA H 4.500 . 5.200 4.848 4.848 4.848 . 0 0 "[ ]" 1
136 1 15 LEU MD1 1 15 LEU MD2 2.200 . 3.200 1.915 1.915 1.915 . 0 0 "[ ]" 1
137 1 15 LEU MD1 1 16 LEU H 4.500 . 5.700 3.194 3.194 3.194 . 0 0 "[ ]" 1
138 1 15 LEU MD1 1 32 TYR HB2 4.500 . 5.700 4.980 4.980 4.980 . 0 0 "[ ]" 1
139 1 15 LEU MD1 1 32 TYR HB3 4.500 . 5.700 5.702 5.702 5.702 0.002 1 0 "[ ]" 1
140 1 15 LEU MD1 1 32 TYR QD 4.500 . 5.700 3.117 3.117 3.117 . 0 0 "[ ]" 1
141 1 15 LEU MD1 1 32 TYR QE 4.500 . 5.700 1.783 1.783 1.783 0.017 1 0 "[ ]" 1
142 1 15 LEU MD1 1 33 LEU HB2 4.500 . 5.700 5.027 5.027 5.027 . 0 0 "[ ]" 1
143 1 15 LEU MD2 1 16 LEU H 4.500 . 5.700 4.174 4.174 4.174 . 0 0 "[ ]" 1
144 1 15 LEU MD2 1 17 ALA H 4.500 . 5.700 5.759 5.759 5.759 0.059 1 0 "[ ]" 1
145 1 15 LEU MD2 1 20 LEU MD2 4.500 . 5.700 3.614 3.614 3.614 . 0 0 "[ ]" 1
146 1 15 LEU MD2 1 21 PRO HD2 4.500 . 5.700 3.190 3.190 3.190 . 0 0 "[ ]" 1
147 1 15 LEU MD2 1 21 PRO HD3 4.500 . 5.700 3.830 3.830 3.830 . 0 0 "[ ]" 1
148 1 15 LEU MD2 1 24 VAL MG2 4.500 . 5.700 1.804 1.804 1.804 . 0 0 "[ ]" 1
149 1 15 LEU MD2 1 32 TYR QD 4.500 . 5.700 3.829 3.829 3.829 . 0 0 "[ ]" 1
150 1 16 LEU H 1 16 LEU MD1 2.700 . 3.800 3.872 3.872 3.872 0.072 1 0 "[ ]" 1
151 1 16 LEU H 1 16 LEU MD2 4.500 . 5.700 4.257 4.257 4.257 . 0 0 "[ ]" 1
152 1 16 LEU H 1 17 ALA H 4.500 . 5.200 2.657 2.657 2.657 . 0 0 "[ ]" 1
153 1 16 LEU H 1 17 ALA MB 4.500 . 5.700 4.662 4.662 4.662 . 0 0 "[ ]" 1
154 1 16 LEU H 1 66 LEU MD2 4.500 . 5.700 4.542 4.542 4.542 . 0 0 "[ ]" 1
155 1 16 LEU HA 1 16 LEU MD1 2.700 . 3.800 1.903 1.903 1.903 . 0 0 "[ ]" 1
156 1 16 LEU HA 1 16 LEU MD2 4.500 . 5.700 3.809 3.809 3.809 . 0 0 "[ ]" 1
157 1 16 LEU QB 1 17 ALA H 4.500 . 5.700 3.218 3.218 3.218 . 0 0 "[ ]" 1
158 1 16 LEU QB 1 32 TYR QE 4.500 . 5.700 5.778 5.778 5.778 0.078 1 0 "[ ]" 1
159 1 16 LEU MD1 1 17 ALA H 4.500 . 5.700 4.604 4.604 4.604 . 0 0 "[ ]" 1
160 1 16 LEU MD1 1 65 GLY HA2 4.500 . 5.700 4.581 4.581 4.581 . 0 0 "[ ]" 1
161 1 16 LEU MD1 1 65 GLY HA3 4.500 . 5.700 3.503 3.503 3.503 . 0 0 "[ ]" 1
162 1 16 LEU MD1 1 66 LEU H 4.500 . 5.700 3.754 3.754 3.754 . 0 0 "[ ]" 1
163 1 16 LEU MD2 1 17 ALA H 4.500 . 5.700 5.108 5.108 5.108 . 0 0 "[ ]" 1
164 1 16 LEU MD2 1 66 LEU H 4.500 . 5.700 5.704 5.704 5.704 0.004 1 0 "[ ]" 1
165 1 17 ALA H 1 17 ALA HA 2.700 . 3.300 2.731 2.731 2.731 . 0 0 "[ ]" 1
166 1 17 ALA H 1 17 ALA MB 2.200 . 3.200 2.982 2.982 2.982 . 0 0 "[ ]" 1
167 1 17 ALA H 1 18 ARG H 4.500 . 5.200 2.015 2.015 2.015 . 0 0 "[ ]" 1
168 1 17 ALA H 1 66 LEU MD2 4.500 . 5.700 5.736 5.736 5.736 0.036 1 0 "[ ]" 1
169 1 17 ALA HA 1 18 ARG H 2.700 . 3.300 2.749 2.749 2.749 . 0 0 "[ ]" 1
170 1 18 ARG H 1 18 ARG HD2 4.500 . 5.200 4.415 4.415 4.415 . 0 0 "[ ]" 1
171 1 18 ARG H 1 18 ARG HD3 4.500 . 5.200 4.649 4.649 4.649 . 0 0 "[ ]" 1
172 1 18 ARG H 1 19 PRO HD3 4.500 . 5.200 5.050 5.050 5.050 . 0 0 "[ ]" 1
173 1 18 ARG HA 1 18 ARG HD2 4.500 . 5.200 4.257 4.257 4.257 . 0 0 "[ ]" 1
174 1 18 ARG HA 1 18 ARG HD3 4.500 . 5.200 3.728 3.728 3.728 . 0 0 "[ ]" 1
175 1 18 ARG HA 1 20 LEU H 4.500 . 5.200 4.715 4.715 4.715 . 0 0 "[ ]" 1
176 1 18 ARG HD2 1 20 LEU H 4.500 . 5.200 4.353 4.353 4.353 . 0 0 "[ ]" 1
177 1 18 ARG HD3 1 19 PRO HD2 4.500 . 5.200 3.012 3.012 3.012 . 0 0 "[ ]" 1
178 1 18 ARG HD3 1 20 LEU H 4.500 . 5.200 3.671 3.671 3.671 . 0 0 "[ ]" 1
179 1 18 ARG HG2 1 20 LEU H 4.500 . 5.200 5.262 5.262 5.262 0.062 1 0 "[ ]" 1
180 1 19 PRO HA 1 20 LEU H 4.500 . 5.200 2.421 2.421 2.421 . 0 0 "[ ]" 1
181 1 19 PRO HB2 1 20 LEU H 4.500 . 5.200 4.289 4.289 4.289 . 0 0 "[ ]" 1
182 1 19 PRO HB3 1 20 LEU H 4.500 . 5.200 4.478 4.478 4.478 . 0 0 "[ ]" 1
183 1 19 PRO HD2 1 19 PRO HG3 2.700 . 3.300 2.673 2.673 2.673 . 0 0 "[ ]" 1
184 1 19 PRO HD3 1 19 PRO HG2 2.700 . 3.300 2.998 2.998 2.998 . 0 0 "[ ]" 1
185 1 19 PRO HD3 1 19 PRO HG3 2.700 . 3.300 2.326 2.326 2.326 . 0 0 "[ ]" 1
186 1 19 PRO QG 1 20 LEU H 4.500 . 5.700 4.807 4.807 4.807 . 0 0 "[ ]" 1
187 1 20 LEU H 1 20 LEU MD1 4.500 . 5.700 3.073 3.073 3.073 . 0 0 "[ ]" 1
188 1 20 LEU H 1 20 LEU MD2 4.500 . 5.700 3.325 3.325 3.325 . 0 0 "[ ]" 1
189 1 20 LEU H 1 20 LEU HG 4.500 . 5.200 1.813 1.813 1.813 . 0 0 "[ ]" 1
190 1 20 LEU H 1 21 PRO HD2 4.500 . 5.200 5.142 5.142 5.142 . 0 0 "[ ]" 1
191 1 20 LEU H 1 21 PRO HD3 4.500 . 5.200 4.690 4.690 4.690 . 0 0 "[ ]" 1
192 1 20 LEU H 1 24 VAL MG1 4.500 . 5.700 4.769 4.769 4.769 . 0 0 "[ ]" 1
193 1 20 LEU HA 1 20 LEU MD1 4.500 . 5.700 3.582 3.582 3.582 . 0 0 "[ ]" 1
194 1 20 LEU HA 1 20 LEU MD2 4.500 . 5.700 4.073 4.073 4.073 . 0 0 "[ ]" 1
195 1 20 LEU HA 1 21 PRO HD2 4.500 . 5.200 2.971 2.971 2.971 . 0 0 "[ ]" 1
196 1 20 LEU HA 1 21 PRO HD3 4.500 . 5.200 1.944 1.944 1.944 . 0 0 "[ ]" 1
197 1 20 LEU HB3 1 21 PRO HD2 4.500 . 5.200 3.484 3.484 3.484 . 0 0 "[ ]" 1
198 1 20 LEU HB3 1 21 PRO HD3 4.500 . 5.200 3.530 3.530 3.530 . 0 0 "[ ]" 1
199 1 20 LEU MD1 1 20 LEU HG 2.200 . 3.200 2.094 2.094 2.094 . 0 0 "[ ]" 1
200 1 20 LEU MD1 1 26 PRO HB3 4.500 . 5.700 4.088 4.088 4.088 . 0 0 "[ ]" 1
201 1 20 LEU MD2 1 21 PRO HD2 4.500 . 5.700 4.118 4.118 4.118 . 0 0 "[ ]" 1
202 1 20 LEU MD2 1 21 PRO HD3 4.500 . 5.700 4.817 4.817 4.817 . 0 0 "[ ]" 1
203 1 20 LEU MD2 1 24 VAL MG1 4.500 . 5.700 1.800 1.800 1.800 0.000 1 0 "[ ]" 1
204 1 21 PRO HA 1 22 GLU H 2.200 . 2.700 2.757 2.757 2.757 0.057 1 0 "[ ]" 1
205 1 21 PRO HA 1 22 GLU HA 4.500 . 5.200 4.404 4.404 4.404 . 0 0 "[ ]" 1
206 1 21 PRO HA 1 24 VAL MG1 4.500 . 5.700 5.342 5.342 5.342 . 0 0 "[ ]" 1
207 1 21 PRO HA 1 24 VAL MG2 4.500 . 5.700 5.817 5.817 5.817 0.117 1 0 "[ ]" 1
208 1 21 PRO HB2 1 22 GLU H 4.500 . 5.200 2.094 2.094 2.094 . 0 0 "[ ]" 1
209 1 21 PRO HB2 1 24 VAL H 4.500 . 5.200 2.800 2.800 2.800 . 0 0 "[ ]" 1
210 1 21 PRO HB2 1 24 VAL MG1 4.500 . 5.700 4.474 4.474 4.474 . 0 0 "[ ]" 1
211 1 21 PRO HB2 1 24 VAL MG2 4.500 . 5.700 4.028 4.028 4.028 . 0 0 "[ ]" 1
212 1 21 PRO HB3 1 22 GLU H 4.500 . 5.200 2.315 2.315 2.315 . 0 0 "[ ]" 1
213 1 21 PRO HB3 1 24 VAL MG1 4.500 . 5.700 5.750 5.750 5.750 0.050 1 0 "[ ]" 1
214 1 21 PRO HB3 1 24 VAL MG2 4.500 . 5.700 5.348 5.348 5.348 . 0 0 "[ ]" 1
215 1 21 PRO HD2 1 24 VAL H 4.500 . 5.200 4.102 4.102 4.102 . 0 0 "[ ]" 1
216 1 21 PRO HD2 1 24 VAL MG1 4.500 . 5.700 3.320 3.320 3.320 . 0 0 "[ ]" 1
217 1 21 PRO HD2 1 24 VAL MG2 4.500 . 5.700 2.702 2.702 2.702 . 0 0 "[ ]" 1
218 1 21 PRO HD3 1 22 GLU H 4.500 . 5.200 5.406 5.406 5.406 0.206 1 0 "[ ]" 1
219 1 21 PRO HD3 1 24 VAL MG1 4.500 . 5.700 4.554 4.554 4.554 . 0 0 "[ ]" 1
220 1 21 PRO HD3 1 24 VAL MG2 4.500 . 5.700 4.112 4.112 4.112 . 0 0 "[ ]" 1
221 1 21 PRO HG2 1 22 GLU H 4.500 . 5.200 4.288 4.288 4.288 . 0 0 "[ ]" 1
222 1 21 PRO HG2 1 24 VAL H 4.500 . 5.200 4.406 4.406 4.406 . 0 0 "[ ]" 1
223 1 21 PRO HG3 1 22 GLU H 4.500 . 5.200 4.392 4.392 4.392 . 0 0 "[ ]" 1
224 1 22 GLU H 1 22 GLU QB 2.700 . 3.800 2.440 2.440 2.440 . 0 0 "[ ]" 1
225 1 22 GLU H 1 22 GLU HG2 4.500 . 5.200 4.779 4.779 4.779 . 0 0 "[ ]" 1
226 1 22 GLU H 1 22 GLU HG3 4.500 . 5.200 4.411 4.411 4.411 . 0 0 "[ ]" 1
227 1 22 GLU H 1 23 GLY H 4.500 . 5.200 2.113 2.113 2.113 . 0 0 "[ ]" 1
228 1 22 GLU HA 1 23 GLY H 4.500 . 5.200 3.550 3.550 3.550 . 0 0 "[ ]" 1
229 1 22 GLU HA 1 24 VAL H 4.500 . 5.200 3.594 3.594 3.594 . 0 0 "[ ]" 1
230 1 22 GLU HA 1 25 ASP HA 4.500 . 5.200 5.290 5.290 5.290 0.090 1 0 "[ ]" 1
231 1 22 GLU QB 1 23 GLY H 4.500 . 5.700 2.638 2.638 2.638 . 0 0 "[ ]" 1
232 1 22 GLU HG3 1 23 GLY H 4.500 . 5.200 3.803 3.803 3.803 . 0 0 "[ ]" 1
233 1 23 GLY H 1 24 VAL H 4.500 . 5.200 2.662 2.662 2.662 . 0 0 "[ ]" 1
234 1 23 GLY H 1 24 VAL MG1 4.500 . 5.700 5.364 5.364 5.364 . 0 0 "[ ]" 1
235 1 23 GLY HA2 1 24 VAL H 4.500 . 5.200 3.453 3.453 3.453 . 0 0 "[ ]" 1
236 1 23 GLY HA3 1 24 VAL H 4.500 . 5.200 2.917 2.917 2.917 . 0 0 "[ ]" 1
237 1 24 VAL H 1 24 VAL MG1 2.700 . 3.800 3.334 3.334 3.334 . 0 0 "[ ]" 1
238 1 24 VAL H 1 24 VAL MG2 4.500 . 5.700 3.199 3.199 3.199 . 0 0 "[ ]" 1
239 1 24 VAL H 1 25 ASP H 4.500 . 5.200 4.343 4.343 4.343 . 0 0 "[ ]" 1
240 1 24 VAL HA 1 25 ASP H 2.700 . 3.300 2.194 2.194 2.194 . 0 0 "[ ]" 1
241 1 24 VAL HA 1 32 TYR QE 4.500 . 5.700 3.024 3.024 3.024 . 0 0 "[ ]" 1
242 1 24 VAL HB 1 25 ASP H 4.500 . 5.200 4.626 4.626 4.626 . 0 0 "[ ]" 1
243 1 24 VAL HB 1 29 LEU MD2 4.500 . 5.700 5.592 5.592 5.592 . 0 0 "[ ]" 1
244 1 24 VAL HB 1 32 TYR QE 4.500 . 5.700 4.358 4.358 4.358 . 0 0 "[ ]" 1
245 1 24 VAL MG1 1 24 VAL MG2 2.700 . 3.800 2.049 2.049 2.049 . 0 0 "[ ]" 1
246 1 24 VAL MG1 1 25 ASP H 4.500 . 5.700 3.341 3.341 3.341 . 0 0 "[ ]" 1
247 1 24 VAL MG1 1 26 PRO HA 4.500 . 5.700 3.765 3.765 3.765 . 0 0 "[ ]" 1
248 1 24 VAL MG1 1 29 LEU MD2 2.700 . 3.800 2.990 2.990 2.990 . 0 0 "[ ]" 1
249 1 24 VAL MG1 1 32 TYR QD 4.500 . 5.700 3.489 3.489 3.489 . 0 0 "[ ]" 1
250 1 24 VAL MG1 1 32 TYR QE 4.500 . 5.700 1.982 1.982 1.982 . 0 0 "[ ]" 1
251 1 24 VAL MG2 1 25 ASP H 4.500 . 5.700 3.720 3.720 3.720 . 0 0 "[ ]" 1
252 1 24 VAL MG2 1 26 PRO HA 4.500 . 5.700 5.739 5.739 5.739 0.039 1 0 "[ ]" 1
253 1 24 VAL MG2 1 29 LEU MD2 2.700 . 3.800 3.838 3.838 3.838 0.038 1 0 "[ ]" 1
254 1 24 VAL MG2 1 32 TYR QD 4.500 . 5.700 2.731 2.731 2.731 . 0 0 "[ ]" 1
255 1 24 VAL MG2 1 32 TYR QE 4.500 . 5.700 2.648 2.648 2.648 . 0 0 "[ ]" 1
256 1 25 ASP H 1 26 PRO HD2 4.500 . 5.200 4.951 4.951 4.951 . 0 0 "[ ]" 1
257 1 25 ASP H 1 27 LEU MD2 4.500 . 5.700 5.719 5.719 5.719 0.019 1 0 "[ ]" 1
258 1 25 ASP H 1 32 TYR QD 4.500 . 5.700 1.909 1.909 1.909 . 0 0 "[ ]" 1
259 1 25 ASP H 1 32 TYR QE 4.500 . 5.700 2.771 2.771 2.771 . 0 0 "[ ]" 1
260 1 25 ASP HA 1 26 PRO HD2 4.500 . 5.200 2.264 2.264 2.264 . 0 0 "[ ]" 1
261 1 25 ASP HA 1 26 PRO HD3 4.500 . 5.200 2.257 2.257 2.257 . 0 0 "[ ]" 1
262 1 25 ASP HB2 1 28 LYS H 4.500 . 5.200 2.991 2.991 2.991 . 0 0 "[ ]" 1
263 1 25 ASP HB2 1 32 TYR QE 4.500 . 5.700 4.275 4.275 4.275 . 0 0 "[ ]" 1
264 1 25 ASP HB3 1 27 LEU H 4.500 . 5.200 3.592 3.592 3.592 . 0 0 "[ ]" 1
265 1 25 ASP HB3 1 28 LYS H 4.500 . 5.200 3.872 3.872 3.872 . 0 0 "[ ]" 1
266 1 25 ASP HB3 1 32 TYR QE 4.500 . 5.700 5.375 5.375 5.375 . 0 0 "[ ]" 1
267 1 26 PRO HA 1 26 PRO HB3 2.700 . 3.300 2.301 2.301 2.301 . 0 0 "[ ]" 1
268 1 26 PRO HA 1 26 PRO HD3 4.500 . 5.200 3.659 3.659 3.659 . 0 0 "[ ]" 1
269 1 26 PRO HA 1 27 LEU H 4.500 . 5.200 3.557 3.557 3.557 . 0 0 "[ ]" 1
270 1 26 PRO HA 1 29 LEU MD2 2.700 . 3.800 2.139 2.139 2.139 . 0 0 "[ ]" 1
271 1 26 PRO HD2 1 27 LEU H 4.500 . 5.200 2.584 2.584 2.584 . 0 0 "[ ]" 1
272 1 26 PRO HD3 1 27 LEU H 4.500 . 5.200 3.817 3.817 3.817 . 0 0 "[ ]" 1
273 1 26 PRO HG2 1 28 LYS H 4.500 . 5.200 4.806 4.806 4.806 . 0 0 "[ ]" 1
274 1 26 PRO HG3 1 27 LEU H 4.500 . 5.200 3.752 3.752 3.752 . 0 0 "[ ]" 1
275 1 27 LEU H 1 27 LEU MD1 4.500 . 5.700 1.790 1.790 1.790 0.010 1 0 "[ ]" 1
276 1 27 LEU H 1 27 LEU MD2 4.500 . 5.700 3.561 3.561 3.561 . 0 0 "[ ]" 1
277 1 27 LEU H 1 27 LEU HG 4.500 . 5.200 3.735 3.735 3.735 . 0 0 "[ ]" 1
278 1 27 LEU H 1 28 LYS H 4.500 . 5.200 2.727 2.727 2.727 . 0 0 "[ ]" 1
279 1 27 LEU H 1 28 LYS HA 4.500 . 5.200 5.258 5.258 5.258 0.058 1 0 "[ ]" 1
280 1 27 LEU H 1 28 LYS QG 4.500 . 5.700 4.874 4.874 4.874 . 0 0 "[ ]" 1
281 1 27 LEU HA 1 27 LEU MD1 4.500 . 5.700 3.465 3.465 3.465 . 0 0 "[ ]" 1
282 1 27 LEU HA 1 27 LEU MD2 4.500 . 5.700 3.443 3.443 3.443 . 0 0 "[ ]" 1
283 1 27 LEU HA 1 28 LYS H 4.500 . 5.200 3.459 3.459 3.459 . 0 0 "[ ]" 1
284 1 27 LEU HA 1 67 PHE QE 4.500 . 5.700 5.053 5.053 5.053 . 0 0 "[ ]" 1
285 1 27 LEU HB2 1 27 LEU MD2 2.700 . 3.800 2.214 2.214 2.214 . 0 0 "[ ]" 1
286 1 27 LEU HB2 1 28 LYS H 4.500 . 5.200 4.118 4.118 4.118 . 0 0 "[ ]" 1
287 1 27 LEU HB3 1 27 LEU MD1 2.700 . 3.800 2.400 2.400 2.400 . 0 0 "[ ]" 1
288 1 27 LEU MD2 1 67 PHE QD 4.500 . 5.700 4.973 4.973 4.973 . 0 0 "[ ]" 1
289 1 27 LEU MD2 1 67 PHE QE 2.700 . 3.800 3.839 3.839 3.839 0.039 1 0 "[ ]" 1
290 1 27 LEU HG 1 28 LYS H 4.500 . 5.200 4.348 4.348 4.348 . 0 0 "[ ]" 1
291 1 28 LYS H 1 28 LYS QD 4.500 . 5.700 4.307 4.307 4.307 . 0 0 "[ ]" 1
292 1 28 LYS H 1 28 LYS QG 4.500 . 5.700 2.774 2.774 2.774 . 0 0 "[ ]" 1
293 1 28 LYS H 1 29 LEU H 4.500 . 5.200 3.872 3.872 3.872 . 0 0 "[ ]" 1
294 1 28 LYS H 1 31 ILE MG 4.500 . 5.700 5.390 5.390 5.390 . 0 0 "[ ]" 1
295 1 28 LYS HA 1 29 LEU H 4.500 . 5.200 2.107 2.107 2.107 . 0 0 "[ ]" 1
296 1 28 LYS HA 1 30 GLU H 4.500 . 5.200 3.591 3.591 3.591 . 0 0 "[ ]" 1
297 1 28 LYS HA 1 31 ILE H 4.500 . 5.200 4.979 4.979 4.979 . 0 0 "[ ]" 1
298 1 28 LYS QE 1 31 ILE MD 4.500 . 5.700 2.912 2.912 2.912 . 0 0 "[ ]" 1
299 1 28 LYS QG 1 29 LEU H 4.500 . 5.700 4.044 4.044 4.044 . 0 0 "[ ]" 1
300 1 29 LEU H 1 29 LEU MD1 4.500 . 5.700 3.923 3.923 3.923 . 0 0 "[ ]" 1
301 1 29 LEU H 1 29 LEU MD2 4.500 . 5.700 2.648 2.648 2.648 . 0 0 "[ ]" 1
302 1 29 LEU H 1 29 LEU HG 4.500 . 5.200 2.424 2.424 2.424 . 0 0 "[ ]" 1
303 1 29 LEU H 1 30 GLU H 4.500 . 5.200 2.336 2.336 2.336 . 0 0 "[ ]" 1
304 1 29 LEU H 1 30 GLU HA 4.500 . 5.200 4.929 4.929 4.929 . 0 0 "[ ]" 1
305 1 29 LEU H 1 31 ILE H 4.500 . 5.200 4.224 4.224 4.224 . 0 0 "[ ]" 1
306 1 29 LEU H 1 61 LYS QE 4.500 . 5.700 5.394 5.394 5.394 . 0 0 "[ ]" 1
307 1 29 LEU HA 1 30 GLU H 4.500 . 5.200 3.465 3.465 3.465 . 0 0 "[ ]" 1
308 1 29 LEU HA 1 32 TYR QE 4.500 . 5.700 2.670 2.670 2.670 . 0 0 "[ ]" 1
309 1 29 LEU HB2 1 30 GLU H 4.500 . 5.200 2.972 2.972 2.972 . 0 0 "[ ]" 1
310 1 29 LEU HB3 1 30 GLU H 4.500 . 5.200 4.061 4.061 4.061 . 0 0 "[ ]" 1
311 1 29 LEU HB3 1 32 TYR QE 4.500 . 5.700 2.494 2.494 2.494 . 0 0 "[ ]" 1
312 1 29 LEU MD1 1 66 LEU H 4.500 . 5.700 4.386 4.386 4.386 . 0 0 "[ ]" 1
313 1 29 LEU MD1 1 66 LEU HA 4.500 . 5.700 2.095 2.095 2.095 . 0 0 "[ ]" 1
314 1 29 LEU MD1 1 67 PHE HA 4.500 . 5.700 3.813 3.813 3.813 . 0 0 "[ ]" 1
315 1 29 LEU MD2 1 32 TYR H 4.500 . 5.700 5.340 5.340 5.340 . 0 0 "[ ]" 1
316 1 29 LEU MD2 1 32 TYR QD 2.700 . 3.800 3.824 3.824 3.824 0.024 1 0 "[ ]" 1
317 1 29 LEU MD2 1 32 TYR QE 2.700 . 3.800 2.023 2.023 2.023 . 0 0 "[ ]" 1
318 1 30 GLU H 1 30 GLU HG2 4.500 . 5.200 2.675 2.675 2.675 . 0 0 "[ ]" 1
319 1 30 GLU H 1 30 GLU HG3 4.500 . 5.200 2.771 2.771 2.771 . 0 0 "[ ]" 1
320 1 30 GLU H 1 31 ILE H 4.500 . 5.200 2.827 2.827 2.827 . 0 0 "[ ]" 1
321 1 30 GLU H 1 31 ILE MD 4.500 . 5.700 5.539 5.539 5.539 . 0 0 "[ ]" 1
322 1 30 GLU H 1 31 ILE MG 4.500 . 5.700 3.906 3.906 3.906 . 0 0 "[ ]" 1
323 1 30 GLU H 1 32 TYR QD 4.500 . 5.700 5.700 5.700 5.700 . 0 0 "[ ]" 1
324 1 30 GLU H 1 32 TYR QE 4.500 . 5.700 5.337 5.337 5.337 . 0 0 "[ ]" 1
325 1 30 GLU H 1 33 LEU MD1 4.500 . 5.700 4.454 4.454 4.454 . 0 0 "[ ]" 1
326 1 30 GLU H 1 33 LEU MD2 4.500 . 5.700 3.627 3.627 3.627 . 0 0 "[ ]" 1
327 1 30 GLU H 1 38 PHE QE 4.500 . 5.700 5.335 5.335 5.335 . 0 0 "[ ]" 1
328 1 30 GLU H 1 42 LEU MD2 4.500 . 5.700 5.451 5.451 5.451 . 0 0 "[ ]" 1
329 1 30 GLU H 1 49 TYR QD 4.500 . 5.700 5.704 5.704 5.704 0.004 1 0 "[ ]" 1
330 1 30 GLU H 1 66 LEU MD1 4.500 . 5.700 4.194 4.194 4.194 . 0 0 "[ ]" 1
331 1 30 GLU H 1 66 LEU MD2 4.500 . 5.700 5.186 5.186 5.186 . 0 0 "[ ]" 1
332 1 30 GLU H 1 67 PHE H 4.500 . 5.200 5.217 5.217 5.217 0.017 1 0 "[ ]" 1
333 1 30 GLU HA 1 31 ILE H 4.500 . 5.200 3.345 3.345 3.345 . 0 0 "[ ]" 1
334 1 30 GLU HA 1 33 LEU H 4.500 . 5.200 3.975 3.975 3.975 . 0 0 "[ ]" 1
335 1 30 GLU HA 1 33 LEU MD1 4.500 . 5.700 2.115 2.115 2.115 . 0 0 "[ ]" 1
336 1 30 GLU HA 1 33 LEU MD2 4.500 . 5.700 2.312 2.312 2.312 . 0 0 "[ ]" 1
337 1 30 GLU HA 1 38 PHE QD 4.500 . 5.700 4.479 4.479 4.479 . 0 0 "[ ]" 1
338 1 30 GLU HA 1 38 PHE QE 4.500 . 5.700 3.535 3.535 3.535 . 0 0 "[ ]" 1
339 1 30 GLU HA 1 42 LEU MD2 4.500 . 5.700 5.273 5.273 5.273 . 0 0 "[ ]" 1
340 1 30 GLU HA 1 66 LEU MD1 4.500 . 5.700 3.764 3.764 3.764 . 0 0 "[ ]" 1
341 1 30 GLU HA 1 66 LEU MD2 4.500 . 5.700 5.112 5.112 5.112 . 0 0 "[ ]" 1
342 1 30 GLU HB2 1 31 ILE H 4.500 . 5.200 4.335 4.335 4.335 . 0 0 "[ ]" 1
343 1 30 GLU HB2 1 38 PHE QE 4.500 . 5.700 2.420 2.420 2.420 . 0 0 "[ ]" 1
344 1 30 GLU HB2 1 42 LEU MD2 4.500 . 5.700 4.633 4.633 4.633 . 0 0 "[ ]" 1
345 1 30 GLU HB3 1 38 PHE QD 4.500 . 5.700 5.109 5.109 5.109 . 0 0 "[ ]" 1
346 1 30 GLU HB3 1 38 PHE QE 4.500 . 5.700 3.339 3.339 3.339 . 0 0 "[ ]" 1
347 1 30 GLU HB3 1 38 PHE HZ 4.500 . 5.200 3.744 3.744 3.744 . 0 0 "[ ]" 1
348 1 30 GLU HB3 1 42 LEU MD2 4.500 . 5.700 3.821 3.821 3.821 . 0 0 "[ ]" 1
349 1 30 GLU HG2 1 31 ILE H 4.500 . 5.200 4.148 4.148 4.148 . 0 0 "[ ]" 1
350 1 30 GLU HG2 1 31 ILE MG 4.500 . 5.700 3.557 3.557 3.557 . 0 0 "[ ]" 1
351 1 30 GLU HG2 1 38 PHE QE 4.500 . 5.700 4.882 4.882 4.882 . 0 0 "[ ]" 1
352 1 30 GLU HG3 1 31 ILE H 4.500 . 5.200 2.817 2.817 2.817 . 0 0 "[ ]" 1
353 1 30 GLU HG3 1 31 ILE MG 4.500 . 5.700 2.181 2.181 2.181 . 0 0 "[ ]" 1
354 1 30 GLU HG3 1 38 PHE QE 4.500 . 5.700 4.777 4.777 4.777 . 0 0 "[ ]" 1
355 1 30 GLU OE1 1 61 LYS QZ 2.300 . 2.500 3.491 3.491 3.491 0.991 1 1 [+] 1
356 1 30 GLU OE1 1 61 LYS NZ 3.300 2.500 3.500 4.481 4.481 4.481 0.981 1 1 [+] 1
357 1 31 ILE H 1 31 ILE MD 4.500 . 5.700 3.394 3.394 3.394 . 0 0 "[ ]" 1
358 1 31 ILE H 1 31 ILE HG12 4.500 . 5.200 3.406 3.406 3.406 . 0 0 "[ ]" 1
359 1 31 ILE H 1 31 ILE QG 4.500 . 5.700 1.942 1.942 1.942 . 0 0 "[ ]" 1
360 1 31 ILE H 1 31 ILE MG 2.700 . 3.800 2.491 2.491 2.491 . 0 0 "[ ]" 1
361 1 31 ILE H 1 32 TYR H 4.500 . 5.200 2.432 2.432 2.432 . 0 0 "[ ]" 1
362 1 31 ILE H 1 32 TYR QE 4.500 . 5.700 5.074 5.074 5.074 . 0 0 "[ ]" 1
363 1 31 ILE H 1 33 LEU H 4.500 . 5.200 4.296 4.296 4.296 . 0 0 "[ ]" 1
364 1 31 ILE HA 1 31 ILE HB 2.700 . 3.300 2.427 2.427 2.427 . 0 0 "[ ]" 1
365 1 31 ILE HA 1 31 ILE MD 4.500 . 5.700 3.578 3.578 3.578 . 0 0 "[ ]" 1
366 1 31 ILE HA 1 31 ILE MG 2.700 . 3.800 2.365 2.365 2.365 . 0 0 "[ ]" 1
367 1 31 ILE HA 1 32 TYR H 4.500 . 5.200 3.280 3.280 3.280 . 0 0 "[ ]" 1
368 1 31 ILE HA 1 33 LEU H 4.500 . 5.200 3.992 3.992 3.992 . 0 0 "[ ]" 1
369 1 31 ILE MD 1 32 TYR QE 4.500 . 5.700 4.288 4.288 4.288 . 0 0 "[ ]" 1
370 1 31 ILE QG 1 32 TYR H 4.500 . 5.700 3.155 3.155 3.155 . 0 0 "[ ]" 1
371 1 31 ILE HG12 1 32 TYR H 4.500 . 5.200 4.798 4.798 4.798 . 0 0 "[ ]" 1
372 1 32 TYR H 1 32 TYR QD 4.500 . 5.700 3.004 3.004 3.004 . 0 0 "[ ]" 1
373 1 32 TYR H 1 33 LEU H 4.500 . 5.200 2.245 2.245 2.245 . 0 0 "[ ]" 1
374 1 32 TYR H 1 33 LEU MD2 4.500 . 5.700 3.465 3.465 3.465 . 0 0 "[ ]" 1
375 1 32 TYR H 1 33 LEU HG 4.500 . 5.200 2.610 2.610 2.610 . 0 0 "[ ]" 1
376 1 32 TYR HA 1 33 LEU H 4.500 . 5.200 3.071 3.071 3.071 . 0 0 "[ ]" 1
377 1 32 TYR HB2 1 32 TYR QE 4.500 . 5.700 4.504 4.504 4.504 . 0 0 "[ ]" 1
378 1 32 TYR HB2 1 33 LEU H 4.500 . 5.200 4.455 4.455 4.455 . 0 0 "[ ]" 1
379 1 33 LEU H 1 33 LEU MD1 4.500 . 5.700 3.069 3.069 3.069 . 0 0 "[ ]" 1
380 1 33 LEU H 1 33 LEU MD2 4.500 . 5.700 3.540 3.540 3.540 . 0 0 "[ ]" 1
381 1 33 LEU H 1 34 THR H 4.500 . 5.200 4.349 4.349 4.349 . 0 0 "[ ]" 1
382 1 33 LEU H 1 38 PHE QD 4.500 . 5.700 4.370 4.370 4.370 . 0 0 "[ ]" 1
383 1 33 LEU H 1 38 PHE HZ 4.500 . 5.200 5.286 5.286 5.286 0.086 1 0 "[ ]" 1
384 1 33 LEU HA 1 33 LEU MD1 4.500 . 5.700 3.858 3.858 3.858 . 0 0 "[ ]" 1
385 1 33 LEU HA 1 33 LEU MD2 4.500 . 5.700 3.849 3.849 3.849 . 0 0 "[ ]" 1
386 1 33 LEU HA 1 34 THR H 4.500 . 5.200 2.142 2.142 2.142 . 0 0 "[ ]" 1
387 1 33 LEU HB2 1 34 THR H 4.500 . 5.200 3.243 3.243 3.243 . 0 0 "[ ]" 1
388 1 33 LEU HB2 1 37 ASP H 4.500 . 5.200 4.142 4.142 4.142 . 0 0 "[ ]" 1
389 1 33 LEU HB2 1 37 ASP HB3 4.500 . 5.200 1.972 1.972 1.972 . 0 0 "[ ]" 1
390 1 33 LEU HB2 1 38 PHE H 4.500 . 5.200 2.950 2.950 2.950 . 0 0 "[ ]" 1
391 1 33 LEU HB3 1 34 THR H 4.500 . 5.200 3.825 3.825 3.825 . 0 0 "[ ]" 1
392 1 33 LEU HB3 1 37 ASP H 4.500 . 5.200 5.294 5.294 5.294 0.094 1 0 "[ ]" 1
393 1 33 LEU HB3 1 37 ASP HB2 4.500 . 5.200 3.829 3.829 3.829 . 0 0 "[ ]" 1
394 1 33 LEU HB3 1 37 ASP HB3 4.500 . 5.200 2.867 2.867 2.867 . 0 0 "[ ]" 1
395 1 33 LEU HB3 1 38 PHE H 4.500 . 5.200 4.605 4.605 4.605 . 0 0 "[ ]" 1
396 1 33 LEU MD1 1 33 LEU MD2 2.700 . 3.800 2.031 2.031 2.031 . 0 0 "[ ]" 1
397 1 33 LEU MD1 1 34 THR H 4.500 . 5.700 4.309 4.309 4.309 . 0 0 "[ ]" 1
398 1 33 LEU MD1 1 37 ASP HB2 4.500 . 5.700 4.938 4.938 4.938 . 0 0 "[ ]" 1
399 1 33 LEU MD1 1 37 ASP HB3 4.500 . 5.700 3.477 3.477 3.477 . 0 0 "[ ]" 1
400 1 33 LEU MD1 1 38 PHE H 4.500 . 5.700 3.010 3.010 3.010 . 0 0 "[ ]" 1
401 1 33 LEU MD1 1 38 PHE HA 4.500 . 5.700 1.853 1.853 1.853 . 0 0 "[ ]" 1
402 1 33 LEU MD1 1 38 PHE HB2 4.500 . 5.700 2.809 2.809 2.809 . 0 0 "[ ]" 1
403 1 33 LEU MD1 1 38 PHE HB3 4.500 . 5.700 3.499 3.499 3.499 . 0 0 "[ ]" 1
404 1 33 LEU MD1 1 38 PHE QD 4.500 . 5.700 2.468 2.468 2.468 . 0 0 "[ ]" 1
405 1 33 LEU MD1 1 42 LEU MD2 4.500 . 5.700 4.683 4.683 4.683 . 0 0 "[ ]" 1
406 1 33 LEU MD2 1 34 THR H 4.500 . 5.700 5.195 5.195 5.195 . 0 0 "[ ]" 1
407 1 33 LEU MD2 1 37 ASP HB2 4.500 . 5.700 4.995 4.995 4.995 . 0 0 "[ ]" 1
408 1 33 LEU MD2 1 37 ASP HB3 4.500 . 5.700 4.135 4.135 4.135 . 0 0 "[ ]" 1
409 1 33 LEU MD2 1 38 PHE H 4.500 . 5.700 4.835 4.835 4.835 . 0 0 "[ ]" 1
410 1 33 LEU MD2 1 38 PHE QE 4.500 . 5.700 4.491 4.491 4.491 . 0 0 "[ ]" 1
411 1 33 LEU MD2 1 38 PHE HZ 4.500 . 5.700 5.139 5.139 5.139 . 0 0 "[ ]" 1
412 1 33 LEU HG 1 38 PHE HA 4.500 . 5.200 4.592 4.592 4.592 . 0 0 "[ ]" 1
413 1 33 LEU HG 1 38 PHE QD 4.500 . 5.700 4.414 4.414 4.414 . 0 0 "[ ]" 1
414 1 34 THR H 1 34 THR MG 4.500 . 5.700 2.007 2.007 2.007 . 0 0 "[ ]" 1
415 1 34 THR H 1 35 ASP H 4.500 . 5.200 4.559 4.559 4.559 . 0 0 "[ ]" 1
416 1 34 THR H 1 37 ASP H 4.500 . 5.200 3.470 3.470 3.470 . 0 0 "[ ]" 1
417 1 34 THR H 1 37 ASP HB2 4.500 . 5.200 3.207 3.207 3.207 . 0 0 "[ ]" 1
418 1 34 THR H 1 37 ASP HB3 4.500 . 5.200 2.326 2.326 2.326 . 0 0 "[ ]" 1
419 1 34 THR H 1 38 PHE H 4.500 . 5.200 3.904 3.904 3.904 . 0 0 "[ ]" 1
420 1 34 THR HA 1 34 THR MG 2.700 . 3.800 3.208 3.208 3.208 . 0 0 "[ ]" 1
421 1 34 THR HA 1 36 GLU H 4.500 . 5.200 4.342 4.342 4.342 . 0 0 "[ ]" 1
422 1 34 THR HA 1 37 ASP H 4.500 . 5.200 4.651 4.651 4.651 . 0 0 "[ ]" 1
423 1 34 THR HB 1 35 ASP H 4.500 . 5.200 3.707 3.707 3.707 . 0 0 "[ ]" 1
424 1 34 THR HB 1 36 GLU H 4.500 . 5.200 4.585 4.585 4.585 . 0 0 "[ ]" 1
425 1 34 THR HG1 1 37 ASP H 4.500 . 5.700 2.172 2.172 2.172 . 0 0 "[ ]" 1
426 1 34 THR MG 1 35 ASP H 4.500 . 5.700 3.761 3.761 3.761 . 0 0 "[ ]" 1
427 1 34 THR MG 1 36 GLU H 4.500 . 5.700 2.825 2.825 2.825 . 0 0 "[ ]" 1
428 1 34 THR MG 1 37 ASP H 4.500 . 5.700 2.186 2.186 2.186 . 0 0 "[ ]" 1
429 1 34 THR O 1 38 PHE H 2.300 . 2.500 1.490 1.490 1.490 0.010 1 0 "[ ]" 1
430 1 34 THR O 1 38 PHE N 3.300 2.500 3.500 2.463 2.463 2.463 0.037 1 0 "[ ]" 1
431 1 35 ASP H 1 36 GLU H 4.500 . 5.200 3.139 3.139 3.139 . 0 0 "[ ]" 1
432 1 35 ASP H 1 37 ASP H 4.500 . 5.200 4.621 4.621 4.621 . 0 0 "[ ]" 1
433 1 35 ASP H 1 37 ASP HB3 4.500 . 5.200 5.365 5.365 5.365 0.165 1 0 "[ ]" 1
434 1 35 ASP H 1 38 PHE QD 4.500 . 5.700 3.556 3.556 3.556 . 0 0 "[ ]" 1
435 1 35 ASP H 1 38 PHE QE 4.500 . 5.700 5.575 5.575 5.575 . 0 0 "[ ]" 1
436 1 35 ASP H 1 39 GLU H 4.500 . 5.200 5.341 5.341 5.341 0.141 1 0 "[ ]" 1
437 1 35 ASP HA 1 36 GLU H 4.500 . 5.200 3.548 3.548 3.548 . 0 0 "[ ]" 1
438 1 35 ASP HA 1 38 PHE HB2 4.500 . 5.200 2.209 2.209 2.209 . 0 0 "[ ]" 1
439 1 35 ASP HA 1 38 PHE HB3 4.500 . 5.200 2.470 2.470 2.470 . 0 0 "[ ]" 1
440 1 35 ASP HA 1 39 GLU H 4.500 . 5.200 3.396 3.396 3.396 . 0 0 "[ ]" 1
441 1 35 ASP HA 1 46 ARG H 4.500 . 5.200 3.692 3.692 3.692 . 0 0 "[ ]" 1
442 1 35 ASP HB2 1 36 GLU H 4.500 . 5.200 3.780 3.780 3.780 . 0 0 "[ ]" 1
443 1 35 ASP HB2 1 38 PHE QD 4.500 . 5.700 5.594 5.594 5.594 . 0 0 "[ ]" 1
444 1 35 ASP HB2 1 46 ARG H 4.500 . 5.200 5.207 5.207 5.207 0.007 1 0 "[ ]" 1
445 1 35 ASP HB3 1 36 GLU H 4.500 . 5.200 3.918 3.918 3.918 . 0 0 "[ ]" 1
446 1 35 ASP O 1 39 GLU H 2.300 . 2.500 1.655 1.655 1.655 . 0 0 "[ ]" 1
447 1 35 ASP O 1 39 GLU N 3.300 2.500 3.500 2.481 2.481 2.481 0.019 1 0 "[ ]" 1
448 1 36 GLU H 1 36 GLU HG2 4.500 . 5.200 3.610 3.610 3.610 . 0 0 "[ ]" 1
449 1 36 GLU H 1 36 GLU HG3 4.500 . 5.200 2.632 2.632 2.632 . 0 0 "[ ]" 1
450 1 36 GLU H 1 37 ASP H 4.500 . 5.200 2.643 2.643 2.643 . 0 0 "[ ]" 1
451 1 36 GLU H 1 38 PHE H 4.500 . 5.200 3.652 3.652 3.652 . 0 0 "[ ]" 1
452 1 36 GLU H 1 39 GLU H 4.500 . 5.200 4.205 4.205 4.205 . 0 0 "[ ]" 1
453 1 36 GLU HA 1 37 ASP H 4.500 . 5.200 3.544 3.544 3.544 . 0 0 "[ ]" 1
454 1 36 GLU HA 1 38 PHE H 4.500 . 5.200 4.440 4.440 4.440 . 0 0 "[ ]" 1
455 1 36 GLU HA 1 39 GLU H 4.500 . 5.200 3.464 3.464 3.464 . 0 0 "[ ]" 1
456 1 36 GLU HA 1 39 GLU QB 4.500 . 5.700 2.546 2.546 2.546 . 0 0 "[ ]" 1
457 1 36 GLU HA 1 40 PHE H 4.500 . 5.200 4.227 4.227 4.227 . 0 0 "[ ]" 1
458 1 36 GLU HB2 1 37 ASP H 4.500 . 5.200 2.379 2.379 2.379 . 0 0 "[ ]" 1
459 1 36 GLU HB2 1 39 GLU H 4.500 . 5.200 5.257 5.257 5.257 0.057 1 0 "[ ]" 1
460 1 36 GLU HB3 1 37 ASP H 4.500 . 5.200 3.183 3.183 3.183 . 0 0 "[ ]" 1
461 1 36 GLU HB3 1 39 GLU H 4.500 . 5.200 5.255 5.255 5.255 0.055 1 0 "[ ]" 1
462 1 36 GLU QG 1 37 ASP H 4.500 . 5.700 4.077 4.077 4.077 . 0 0 "[ ]" 1
463 1 36 GLU HG3 1 37 ASP H 4.500 . 5.200 4.390 4.390 4.390 . 0 0 "[ ]" 1
464 1 37 ASP H 1 38 PHE H 4.500 . 5.200 2.453 2.453 2.453 . 0 0 "[ ]" 1
465 1 37 ASP H 1 38 PHE HA 4.500 . 5.200 5.115 5.115 5.115 . 0 0 "[ ]" 1
466 1 37 ASP H 1 38 PHE HB2 4.500 . 5.200 4.172 4.172 4.172 . 0 0 "[ ]" 1
467 1 37 ASP HA 1 38 PHE H 4.500 . 5.200 3.495 3.495 3.495 . 0 0 "[ ]" 1
468 1 37 ASP HA 1 40 PHE H 4.500 . 5.200 3.427 3.427 3.427 . 0 0 "[ ]" 1
469 1 37 ASP HA 1 40 PHE HB2 4.500 . 5.200 3.978 3.978 3.978 . 0 0 "[ ]" 1
470 1 37 ASP HA 1 40 PHE HB3 4.500 . 5.200 3.327 3.327 3.327 . 0 0 "[ ]" 1
471 1 37 ASP HA 1 40 PHE QD 4.500 . 5.700 5.080 5.080 5.080 . 0 0 "[ ]" 1
472 1 37 ASP HA 1 41 ALA H 4.500 . 5.200 4.006 4.006 4.006 . 0 0 "[ ]" 1
473 1 37 ASP HB2 1 38 PHE H 4.500 . 5.200 3.804 3.804 3.804 . 0 0 "[ ]" 1
474 1 37 ASP HB3 1 38 PHE H 4.500 . 5.200 2.541 2.541 2.541 . 0 0 "[ ]" 1
475 1 37 ASP O 1 41 ALA H 2.300 . 2.500 1.899 1.899 1.899 . 0 0 "[ ]" 1
476 1 37 ASP O 1 41 ALA N 3.300 2.500 3.500 2.590 2.590 2.590 . 0 0 "[ ]" 1
477 1 38 PHE H 1 38 PHE QD 4.500 . 5.700 3.701 3.701 3.701 . 0 0 "[ ]" 1
478 1 38 PHE H 1 39 GLU H 4.500 . 5.200 2.570 2.570 2.570 . 0 0 "[ ]" 1
479 1 38 PHE HA 1 39 GLU H 4.500 . 5.200 3.523 3.523 3.523 . 0 0 "[ ]" 1
480 1 38 PHE HA 1 40 PHE H 4.500 . 5.200 4.572 4.572 4.572 . 0 0 "[ ]" 1
481 1 38 PHE HA 1 41 ALA H 4.500 . 5.200 3.471 3.471 3.471 . 0 0 "[ ]" 1
482 1 38 PHE HA 1 41 ALA MB 4.500 . 5.700 2.719 2.719 2.719 . 0 0 "[ ]" 1
483 1 38 PHE HA 1 42 LEU H 4.500 . 5.200 3.003 3.003 3.003 . 0 0 "[ ]" 1
484 1 38 PHE HB2 1 38 PHE QE 4.500 . 5.700 4.352 4.352 4.352 . 0 0 "[ ]" 1
485 1 38 PHE HB2 1 39 GLU H 4.500 . 5.200 3.132 3.132 3.132 . 0 0 "[ ]" 1
486 1 38 PHE HB3 1 39 GLU H 4.500 . 5.200 2.850 2.850 2.850 . 0 0 "[ ]" 1
487 1 38 PHE QD 1 39 GLU H 4.500 . 5.700 4.512 4.512 4.512 . 0 0 "[ ]" 1
488 1 38 PHE QD 1 39 GLU HA 4.500 . 5.700 4.834 4.834 4.834 . 0 0 "[ ]" 1
489 1 38 PHE QD 1 42 LEU H 4.500 . 5.700 3.488 3.488 3.488 . 0 0 "[ ]" 1
490 1 38 PHE QD 1 42 LEU MD1 4.500 . 5.700 2.745 2.745 2.745 . 0 0 "[ ]" 1
491 1 38 PHE QD 1 42 LEU MD2 4.500 . 5.700 4.406 4.406 4.406 . 0 0 "[ ]" 1
492 1 38 PHE QD 1 44 MET H 4.500 . 5.700 2.923 2.923 2.923 . 0 0 "[ ]" 1
493 1 38 PHE QD 1 44 MET HB3 4.500 . 5.700 3.696 3.696 3.696 . 0 0 "[ ]" 1
494 1 38 PHE QD 1 45 THR HA 4.500 . 5.700 3.276 3.276 3.276 . 0 0 "[ ]" 1
495 1 38 PHE QD 1 46 ARG H 4.500 . 5.700 2.694 2.694 2.694 . 0 0 "[ ]" 1
496 1 38 PHE QD 1 46 ARG HA 4.500 . 5.700 3.684 3.684 3.684 . 0 0 "[ ]" 1
497 1 38 PHE QD 1 46 ARG HG2 4.500 . 5.700 5.267 5.267 5.267 . 0 0 "[ ]" 1
498 1 38 PHE QE 1 42 LEU QB 4.500 . 5.700 2.896 2.896 2.896 . 0 0 "[ ]" 1
499 1 38 PHE QE 1 42 LEU MD1 4.500 . 5.700 1.918 1.918 1.918 . 0 0 "[ ]" 1
500 1 38 PHE QE 1 42 LEU MD2 4.500 . 5.700 3.909 3.909 3.909 . 0 0 "[ ]" 1
501 1 38 PHE QE 1 42 LEU HG 4.500 . 5.700 4.462 4.462 4.462 . 0 0 "[ ]" 1
502 1 38 PHE QE 1 44 MET H 4.500 . 5.700 4.699 4.699 4.699 . 0 0 "[ ]" 1
503 1 38 PHE QE 1 44 MET HB3 4.500 . 5.700 3.854 3.854 3.854 . 0 0 "[ ]" 1
504 1 38 PHE QE 1 44 MET HG2 4.500 . 5.700 5.667 5.667 5.667 . 0 0 "[ ]" 1
505 1 38 PHE QE 1 45 THR H 4.500 . 5.700 4.782 4.782 4.782 . 0 0 "[ ]" 1
506 1 38 PHE QE 1 45 THR HA 4.500 . 5.700 4.372 4.372 4.372 . 0 0 "[ ]" 1
507 1 38 PHE QE 1 46 ARG H 4.500 . 5.700 3.330 3.330 3.330 . 0 0 "[ ]" 1
508 1 38 PHE QE 1 46 ARG HA 4.500 . 5.700 2.187 2.187 2.187 . 0 0 "[ ]" 1
509 1 38 PHE QE 1 46 ARG QD 4.500 . 5.700 3.140 3.140 3.140 . 0 0 "[ ]" 1
510 1 38 PHE QE 1 46 ARG HE 4.500 . 5.700 3.851 3.851 3.851 . 0 0 "[ ]" 1
511 1 38 PHE QE 1 46 ARG HG2 4.500 . 5.700 3.586 3.586 3.586 . 0 0 "[ ]" 1
512 1 38 PHE QE 1 46 ARG HG3 4.500 . 5.700 2.105 2.105 2.105 . 0 0 "[ ]" 1
513 1 38 PHE QE 1 48 GLU H 4.500 . 5.700 5.439 5.439 5.439 . 0 0 "[ ]" 1
514 1 38 PHE QE 1 48 GLU HB3 4.500 . 5.700 5.743 5.743 5.743 0.043 1 0 "[ ]" 1
515 1 38 PHE QE 1 49 TYR H 4.500 . 5.700 4.777 4.777 4.777 . 0 0 "[ ]" 1
516 1 38 PHE QE 1 49 TYR HB2 4.500 . 5.700 3.407 3.407 3.407 . 0 0 "[ ]" 1
517 1 38 PHE QE 1 49 TYR HB3 4.500 . 5.700 4.076 4.076 4.076 . 0 0 "[ ]" 1
518 1 38 PHE QE 1 49 TYR QE 4.500 . 5.700 3.419 3.419 3.419 . 0 0 "[ ]" 1
519 1 38 PHE QE 1 50 ASN H 4.500 . 5.700 5.423 5.423 5.423 . 0 0 "[ ]" 1
520 1 38 PHE HZ 1 42 LEU MD1 4.500 . 5.700 3.541 3.541 3.541 . 0 0 "[ ]" 1
521 1 38 PHE HZ 1 42 LEU MD2 4.500 . 5.700 5.731 5.731 5.731 0.031 1 0 "[ ]" 1
522 1 38 PHE HZ 1 46 ARG H 4.500 . 5.200 4.815 4.815 4.815 . 0 0 "[ ]" 1
523 1 38 PHE HZ 1 46 ARG HA 4.500 . 5.200 2.765 2.765 2.765 . 0 0 "[ ]" 1
524 1 38 PHE HZ 1 46 ARG QD 4.500 . 5.700 5.190 5.190 5.190 . 0 0 "[ ]" 1
525 1 38 PHE HZ 1 46 ARG HE 4.500 . 5.200 5.123 5.123 5.123 . 0 0 "[ ]" 1
526 1 38 PHE HZ 1 46 ARG HG2 4.500 . 5.200 4.916 4.916 4.916 . 0 0 "[ ]" 1
527 1 38 PHE HZ 1 46 ARG HG3 4.500 . 5.200 3.483 3.483 3.483 . 0 0 "[ ]" 1
528 1 38 PHE HZ 1 49 TYR H 4.500 . 5.200 5.006 5.006 5.006 . 0 0 "[ ]" 1
529 1 38 PHE HZ 1 49 TYR HB2 4.500 . 5.200 3.253 3.253 3.253 . 0 0 "[ ]" 1
530 1 38 PHE HZ 1 49 TYR HB3 4.500 . 5.200 3.815 3.815 3.815 . 0 0 "[ ]" 1
531 1 38 PHE HZ 1 49 TYR QD 2.700 . 3.800 3.439 3.439 3.439 . 0 0 "[ ]" 1
532 1 38 PHE HZ 1 50 ASN H 4.500 . 5.200 5.235 5.235 5.235 0.035 1 0 "[ ]" 1
533 1 38 PHE O 1 42 LEU H 2.300 . 2.500 1.726 1.726 1.726 . 0 0 "[ ]" 1
534 1 38 PHE O 1 42 LEU N 3.300 2.500 3.500 2.610 2.610 2.610 . 0 0 "[ ]" 1
535 1 39 GLU H 1 39 GLU HG2 4.500 . 5.200 3.555 3.555 3.555 . 0 0 "[ ]" 1
536 1 39 GLU H 1 39 GLU HG3 4.500 . 5.200 3.130 3.130 3.130 . 0 0 "[ ]" 1
537 1 39 GLU H 1 40 PHE H 4.500 . 5.200 2.693 2.693 2.693 . 0 0 "[ ]" 1
538 1 39 GLU H 1 43 ASP H 4.500 . 5.200 4.468 4.468 4.468 . 0 0 "[ ]" 1
539 1 39 GLU H 1 44 MET H 4.500 . 5.200 4.836 4.836 4.836 . 0 0 "[ ]" 1
540 1 39 GLU HA 1 40 PHE H 4.500 . 5.200 3.550 3.550 3.550 . 0 0 "[ ]" 1
541 1 39 GLU HA 1 42 LEU H 4.500 . 5.200 4.058 4.058 4.058 . 0 0 "[ ]" 1
542 1 39 GLU HA 1 43 ASP H 4.500 . 5.200 2.805 2.805 2.805 . 0 0 "[ ]" 1
543 1 39 GLU HA 1 44 MET H 2.700 . 3.300 3.201 3.201 3.201 . 0 0 "[ ]" 1
544 1 39 GLU QB 1 40 PHE H 4.500 . 5.700 2.656 2.656 2.656 . 0 0 "[ ]" 1
545 1 39 GLU QB 1 44 MET H 4.500 . 5.700 5.266 5.266 5.266 . 0 0 "[ ]" 1
546 1 39 GLU HG2 1 40 PHE H 4.500 . 5.200 4.912 4.912 4.912 . 0 0 "[ ]" 1
547 1 39 GLU HG2 1 45 THR HA 4.500 . 5.200 5.200 5.200 5.200 . 0 0 "[ ]" 1
548 1 39 GLU HG3 1 40 PHE H 4.500 . 5.200 4.855 4.855 4.855 . 0 0 "[ ]" 1
549 1 39 GLU HG3 1 45 THR HA 4.500 . 5.200 5.208 5.208 5.208 0.008 1 0 "[ ]" 1
550 1 39 GLU O 1 43 ASP H 2.300 . 2.500 2.515 2.515 2.515 0.015 1 0 "[ ]" 1
551 1 39 GLU O 1 43 ASP N 3.300 2.500 3.500 3.037 3.037 3.037 . 0 0 "[ ]" 1
552 1 40 PHE H 1 40 PHE HB3 2.700 . 3.300 2.782 2.782 2.782 . 0 0 "[ ]" 1
553 1 40 PHE H 1 40 PHE QD 4.500 . 5.700 4.156 4.156 4.156 . 0 0 "[ ]" 1
554 1 40 PHE H 1 41 ALA H 4.500 . 5.200 2.408 2.408 2.408 . 0 0 "[ ]" 1
555 1 40 PHE H 1 41 ALA MB 4.500 . 5.700 4.087 4.087 4.087 . 0 0 "[ ]" 1
556 1 40 PHE HA 1 40 PHE QD 2.700 . 3.800 2.886 2.886 2.886 . 0 0 "[ ]" 1
557 1 40 PHE HA 1 41 ALA H 4.500 . 5.200 3.411 3.411 3.411 . 0 0 "[ ]" 1
558 1 40 PHE HA 1 43 ASP H 4.500 . 5.200 4.316 4.316 4.316 . 0 0 "[ ]" 1
559 1 40 PHE HB2 1 41 ALA H 4.500 . 5.200 4.027 4.027 4.027 . 0 0 "[ ]" 1
560 1 40 PHE HB3 1 41 ALA H 4.500 . 5.200 3.270 3.270 3.270 . 0 0 "[ ]" 1
561 1 40 PHE QD 1 41 ALA H 4.500 . 5.700 4.501 4.501 4.501 . 0 0 "[ ]" 1
562 1 40 PHE QD 1 41 ALA HA 4.500 . 5.700 4.017 4.017 4.017 . 0 0 "[ ]" 1
563 1 40 PHE QD 1 41 ALA MB 4.500 . 5.700 4.365 4.365 4.365 . 0 0 "[ ]" 1
564 1 41 ALA H 1 41 ALA MB 2.700 . 3.800 2.362 2.362 2.362 . 0 0 "[ ]" 1
565 1 41 ALA H 1 42 LEU H 4.500 . 5.200 2.279 2.279 2.279 . 0 0 "[ ]" 1
566 1 41 ALA H 1 42 LEU HA 4.500 . 5.200 4.904 4.904 4.904 . 0 0 "[ ]" 1
567 1 41 ALA H 1 42 LEU QB 4.500 . 5.700 4.401 4.401 4.401 . 0 0 "[ ]" 1
568 1 41 ALA H 1 43 ASP H 4.500 . 5.200 3.125 3.125 3.125 . 0 0 "[ ]" 1
569 1 41 ALA HA 1 42 LEU H 4.500 . 5.200 3.556 3.556 3.556 . 0 0 "[ ]" 1
570 1 41 ALA MB 1 42 LEU H 4.500 . 5.700 2.479 2.479 2.479 . 0 0 "[ ]" 1
571 1 41 ALA MB 1 42 LEU MD1 2.700 . 3.800 3.542 3.542 3.542 . 0 0 "[ ]" 1
572 1 41 ALA MB 1 42 LEU MD2 4.500 . 5.700 4.577 4.577 4.577 . 0 0 "[ ]" 1
573 1 41 ALA MB 1 42 LEU HG 4.500 . 5.700 3.454 3.454 3.454 . 0 0 "[ ]" 1
574 1 41 ALA MB 1 43 ASP H 4.500 . 5.700 4.121 4.121 4.121 . 0 0 "[ ]" 1
575 1 41 ALA MB 1 66 LEU MD1 2.700 . 3.800 1.839 1.839 1.839 . 0 0 "[ ]" 1
576 1 42 LEU H 1 42 LEU MD1 4.500 . 5.700 3.933 3.933 3.933 . 0 0 "[ ]" 1
577 1 42 LEU H 1 42 LEU MD2 4.500 . 5.700 4.417 4.417 4.417 . 0 0 "[ ]" 1
578 1 42 LEU H 1 42 LEU HG 4.500 . 5.200 3.676 3.676 3.676 . 0 0 "[ ]" 1
579 1 42 LEU H 1 43 ASP H 4.500 . 5.200 1.944 1.944 1.944 . 0 0 "[ ]" 1
580 1 42 LEU H 1 43 ASP HA 4.500 . 5.200 4.186 4.186 4.186 . 0 0 "[ ]" 1
581 1 42 LEU H 1 44 MET H 4.500 . 5.200 3.425 3.425 3.425 . 0 0 "[ ]" 1
582 1 42 LEU H 1 66 LEU MD1 4.500 . 5.700 3.469 3.469 3.469 . 0 0 "[ ]" 1
583 1 42 LEU HA 1 42 LEU MD1 4.500 . 5.700 3.772 3.772 3.772 . 0 0 "[ ]" 1
584 1 42 LEU HA 1 42 LEU MD2 4.500 . 5.700 2.443 2.443 2.443 . 0 0 "[ ]" 1
585 1 42 LEU HA 1 43 ASP H 4.500 . 5.200 3.357 3.357 3.357 . 0 0 "[ ]" 1
586 1 42 LEU HA 1 44 MET H 4.500 . 5.200 4.250 4.250 4.250 . 0 0 "[ ]" 1
587 1 42 LEU HA 1 64 LYS QD 4.500 . 5.700 2.766 2.766 2.766 . 0 0 "[ ]" 1
588 1 42 LEU QB 1 43 ASP H 4.500 . 5.700 3.244 3.244 3.244 . 0 0 "[ ]" 1
589 1 42 LEU QB 1 44 MET H 4.500 . 5.700 2.631 2.631 2.631 . 0 0 "[ ]" 1
590 1 42 LEU MD1 1 42 LEU MD2 2.700 . 3.800 2.076 2.076 2.076 . 0 0 "[ ]" 1
591 1 42 LEU MD1 1 60 LEU H 4.500 . 5.700 5.716 5.716 5.716 0.016 1 0 "[ ]" 1
592 1 42 LEU MD1 1 60 LEU HG 4.500 . 5.700 5.707 5.707 5.707 0.007 1 0 "[ ]" 1
593 1 42 LEU MD1 1 61 LYS HA 4.500 . 5.700 3.520 3.520 3.520 . 0 0 "[ ]" 1
594 1 42 LEU MD1 1 66 LEU MD1 4.500 . 5.700 2.285 2.285 2.285 . 0 0 "[ ]" 1
595 1 42 LEU MD1 1 67 PHE H 4.500 . 5.700 4.693 4.693 4.693 . 0 0 "[ ]" 1
596 1 42 LEU MD2 1 43 ASP H 4.500 . 5.700 4.887 4.887 4.887 . 0 0 "[ ]" 1
597 1 42 LEU MD2 1 44 MET H 4.500 . 5.700 4.510 4.510 4.510 . 0 0 "[ ]" 1
598 1 42 LEU MD2 1 60 LEU HB2 4.500 . 5.700 2.586 2.586 2.586 . 0 0 "[ ]" 1
599 1 42 LEU MD2 1 60 LEU MD2 4.500 . 5.700 3.973 3.973 3.973 . 0 0 "[ ]" 1
600 1 42 LEU MD2 1 61 LYS H 4.500 . 5.700 2.226 2.226 2.226 . 0 0 "[ ]" 1
601 1 42 LEU MD2 1 61 LYS HA 4.500 . 5.700 1.921 1.921 1.921 . 0 0 "[ ]" 1
602 1 42 LEU MD2 1 61 LYS QG 4.500 . 5.700 1.787 1.787 1.787 0.013 1 0 "[ ]" 1
603 1 42 LEU MD2 1 66 LEU MD1 4.500 . 5.700 2.998 2.998 2.998 . 0 0 "[ ]" 1
604 1 42 LEU MD2 1 67 PHE H 4.500 . 5.700 4.710 4.710 4.710 . 0 0 "[ ]" 1
605 1 42 LEU HG 1 44 MET H 4.500 . 5.200 5.334 5.334 5.334 0.134 1 0 "[ ]" 1
606 1 42 LEU HG 1 49 TYR QD 4.500 . 5.700 5.442 5.442 5.442 . 0 0 "[ ]" 1
607 1 42 LEU HG 1 66 LEU MD1 4.500 . 5.700 1.827 1.827 1.827 . 0 0 "[ ]" 1
608 1 42 LEU HG 1 66 LEU MD2 4.500 . 5.700 4.417 4.417 4.417 . 0 0 "[ ]" 1
609 1 42 LEU HG 1 67 PHE H 4.500 . 5.200 5.355 5.355 5.355 0.155 1 0 "[ ]" 1
610 1 43 ASP H 1 44 MET H 4.500 . 5.200 2.614 2.614 2.614 . 0 0 "[ ]" 1
611 1 43 ASP HA 1 44 MET H 4.500 . 5.200 3.170 3.170 3.170 . 0 0 "[ ]" 1
612 1 43 ASP HB3 1 44 MET H 4.500 . 5.200 4.506 4.506 4.506 . 0 0 "[ ]" 1
613 1 44 MET H 1 44 MET HG2 4.500 . 5.200 4.966 4.966 4.966 . 0 0 "[ ]" 1
614 1 44 MET H 1 44 MET HG3 4.500 . 5.200 4.585 4.585 4.585 . 0 0 "[ ]" 1
615 1 44 MET H 1 45 THR MG 4.500 . 5.700 4.710 4.710 4.710 . 0 0 "[ ]" 1
616 1 44 MET HA 1 45 THR H 2.700 . 3.300 2.919 2.919 2.919 . 0 0 "[ ]" 1
617 1 44 MET HA 1 45 THR MG 4.500 . 5.700 2.978 2.978 2.978 . 0 0 "[ ]" 1
618 1 44 MET HA 1 48 GLU HB2 4.500 . 5.200 4.745 4.745 4.745 . 0 0 "[ ]" 1
619 1 44 MET HB2 1 45 THR H 4.500 . 5.200 3.503 3.503 3.503 . 0 0 "[ ]" 1
620 1 44 MET HB2 1 45 THR MG 4.500 . 5.700 4.927 4.927 4.927 . 0 0 "[ ]" 1
621 1 44 MET HB3 1 45 THR H 4.500 . 5.200 1.950 1.950 1.950 . 0 0 "[ ]" 1
622 1 44 MET HB3 1 49 TYR H 4.500 . 5.200 3.507 3.507 3.507 . 0 0 "[ ]" 1
623 1 44 MET ME 1 52 LEU MD1 2.700 . 3.800 2.107 2.107 2.107 . 0 0 "[ ]" 1
624 1 44 MET ME 1 52 LEU MD2 4.500 . 5.700 3.354 3.354 3.354 . 0 0 "[ ]" 1
625 1 44 MET HG2 1 45 THR H 4.500 . 5.200 3.125 3.125 3.125 . 0 0 "[ ]" 1
626 1 44 MET HG2 1 49 TYR H 4.500 . 5.200 3.802 3.802 3.802 . 0 0 "[ ]" 1
627 1 44 MET HG3 1 45 THR H 4.500 . 5.200 2.583 2.583 2.583 . 0 0 "[ ]" 1
628 1 44 MET HG3 1 45 THR MG 4.500 . 5.700 3.430 3.430 3.430 . 0 0 "[ ]" 1
629 1 44 MET HG3 1 49 TYR H 4.500 . 5.200 4.402 4.402 4.402 . 0 0 "[ ]" 1
630 1 45 THR H 1 45 THR MG 2.700 . 3.800 2.546 2.546 2.546 . 0 0 "[ ]" 1
631 1 45 THR H 1 46 ARG H 4.500 . 5.200 4.442 4.442 4.442 . 0 0 "[ ]" 1
632 1 45 THR H 1 48 GLU H 4.500 . 5.200 3.381 3.381 3.381 . 0 0 "[ ]" 1
633 1 45 THR H 1 48 GLU HB2 4.500 . 5.200 2.901 2.901 2.901 . 0 0 "[ ]" 1
634 1 45 THR H 1 48 GLU HB3 4.500 . 5.200 1.906 1.906 1.906 . 0 0 "[ ]" 1
635 1 45 THR H 1 50 ASN H 4.500 . 5.200 5.367 5.367 5.367 0.167 1 0 "[ ]" 1
636 1 45 THR HA 1 46 ARG H 4.500 . 5.200 2.342 2.342 2.342 . 0 0 "[ ]" 1
637 1 45 THR HA 1 47 ASP H 4.500 . 5.200 3.999 3.999 3.999 . 0 0 "[ ]" 1
638 1 45 THR HA 1 48 GLU H 4.500 . 5.200 4.251 4.251 4.251 . 0 0 "[ ]" 1
639 1 45 THR HB 1 46 ARG H 4.500 . 5.200 2.675 2.675 2.675 . 0 0 "[ ]" 1
640 1 45 THR HB 1 47 ASP H 4.500 . 5.200 2.923 2.923 2.923 . 0 0 "[ ]" 1
641 1 45 THR HB 1 48 GLU H 4.500 . 5.200 3.759 3.759 3.759 . 0 0 "[ ]" 1
642 1 45 THR MG 1 46 ARG H 4.500 . 5.700 4.025 4.025 4.025 . 0 0 "[ ]" 1
643 1 45 THR MG 1 47 ASP H 4.500 . 5.700 4.173 4.173 4.173 . 0 0 "[ ]" 1
644 1 45 THR MG 1 48 GLU H 4.500 . 5.700 3.923 3.923 3.923 . 0 0 "[ ]" 1
645 1 46 ARG H 1 46 ARG QD 4.500 . 5.700 4.322 4.322 4.322 . 0 0 "[ ]" 1
646 1 46 ARG H 1 46 ARG HG2 4.500 . 5.200 4.555 4.555 4.555 . 0 0 "[ ]" 1
647 1 46 ARG H 1 46 ARG HG3 4.500 . 5.200 4.307 4.307 4.307 . 0 0 "[ ]" 1
648 1 46 ARG H 1 47 ASP H 4.500 . 5.200 2.559 2.559 2.559 . 0 0 "[ ]" 1
649 1 46 ARG H 1 48 GLU H 4.500 . 5.200 3.886 3.886 3.886 . 0 0 "[ ]" 1
650 1 46 ARG HA 1 47 ASP H 4.500 . 5.200 3.463 3.463 3.463 . 0 0 "[ ]" 1
651 1 46 ARG HA 1 48 GLU H 4.500 . 5.200 3.869 3.869 3.869 . 0 0 "[ ]" 1
652 1 46 ARG HA 1 49 TYR H 4.500 . 5.200 3.981 3.981 3.981 . 0 0 "[ ]" 1
653 1 46 ARG HA 1 49 TYR HB2 4.500 . 5.200 3.313 3.313 3.313 . 0 0 "[ ]" 1
654 1 46 ARG HA 1 50 ASN H 4.500 . 5.200 3.829 3.829 3.829 . 0 0 "[ ]" 1
655 1 46 ARG HB2 1 46 ARG HE 4.500 . 5.200 4.146 4.146 4.146 . 0 0 "[ ]" 1
656 1 46 ARG HB2 1 47 ASP H 4.500 . 5.200 3.857 3.857 3.857 . 0 0 "[ ]" 1
657 1 46 ARG HB3 1 46 ARG HE 4.500 . 5.200 4.546 4.546 4.546 . 0 0 "[ ]" 1
658 1 46 ARG HB3 1 47 ASP H 4.500 . 5.200 2.905 2.905 2.905 . 0 0 "[ ]" 1
659 1 46 ARG QD 1 47 ASP H 4.500 . 5.700 5.003 5.003 5.003 . 0 0 "[ ]" 1
660 1 46 ARG HG2 1 50 ASN HD21 4.500 . 5.200 3.463 3.463 3.463 . 0 0 "[ ]" 1
661 1 46 ARG HG2 1 50 ASN HD22 4.500 . 5.200 2.861 2.861 2.861 . 0 0 "[ ]" 1
662 1 46 ARG O 1 50 ASN H 2.300 . 2.500 2.525 2.525 2.525 0.025 1 0 "[ ]" 1
663 1 46 ARG O 1 50 ASN N 3.300 2.500 3.500 3.221 3.221 3.221 . 0 0 "[ ]" 1
664 1 47 ASP H 1 48 GLU H 4.500 . 5.200 2.375 2.375 2.375 . 0 0 "[ ]" 1
665 1 47 ASP H 1 48 GLU HB2 4.500 . 5.200 4.419 4.419 4.419 . 0 0 "[ ]" 1
666 1 47 ASP H 1 49 TYR H 4.500 . 5.200 4.339 4.339 4.339 . 0 0 "[ ]" 1
667 1 47 ASP HA 1 48 GLU H 4.500 . 5.200 3.351 3.351 3.351 . 0 0 "[ ]" 1
668 1 47 ASP HB2 1 48 GLU H 4.500 . 5.200 3.433 3.433 3.433 . 0 0 "[ ]" 1
669 1 47 ASP HB3 1 48 GLU H 4.500 . 5.200 4.256 4.256 4.256 . 0 0 "[ ]" 1
670 1 48 GLU H 1 48 GLU QG 4.500 . 5.700 4.048 4.048 4.048 . 0 0 "[ ]" 1
671 1 48 GLU H 1 49 TYR H 4.500 . 5.200 2.281 2.281 2.281 . 0 0 "[ ]" 1
672 1 48 GLU H 1 49 TYR HB2 4.500 . 5.200 3.910 3.910 3.910 . 0 0 "[ ]" 1
673 1 48 GLU H 1 49 TYR HB3 4.500 . 5.200 5.364 5.364 5.364 0.164 1 0 "[ ]" 1
674 1 48 GLU H 1 49 TYR QD 4.500 . 5.700 4.805 4.805 4.805 . 0 0 "[ ]" 1
675 1 48 GLU H 1 50 ASN H 4.500 . 5.200 3.092 3.092 3.092 . 0 0 "[ ]" 1
676 1 48 GLU HA 1 49 TYR H 4.500 . 5.200 3.519 3.519 3.519 . 0 0 "[ ]" 1
677 1 48 GLU HA 1 50 ASN H 4.500 . 5.200 4.134 4.134 4.134 . 0 0 "[ ]" 1
678 1 48 GLU HA 1 51 ALA H 4.500 . 5.200 3.842 3.842 3.842 . 0 0 "[ ]" 1
679 1 48 GLU HA 1 51 ALA MB 4.500 . 5.700 3.906 3.906 3.906 . 0 0 "[ ]" 1
680 1 48 GLU HA 1 52 LEU H 4.500 . 5.200 4.441 4.441 4.441 . 0 0 "[ ]" 1
681 1 48 GLU HB2 1 49 TYR H 4.500 . 5.200 3.477 3.477 3.477 . 0 0 "[ ]" 1
682 1 48 GLU HB2 1 50 ASN H 4.500 . 5.200 5.217 5.217 5.217 0.017 1 0 "[ ]" 1
683 1 48 GLU HB3 1 49 TYR H 4.500 . 5.200 2.116 2.116 2.116 . 0 0 "[ ]" 1
684 1 48 GLU HB3 1 49 TYR QD 4.500 . 5.700 3.113 3.113 3.113 . 0 0 "[ ]" 1
685 1 48 GLU HB3 1 50 ASN H 4.500 . 5.200 4.387 4.387 4.387 . 0 0 "[ ]" 1
686 1 48 GLU O 1 51 ALA H 2.300 . 2.500 2.127 2.127 2.127 . 0 0 "[ ]" 1
687 1 48 GLU O 1 51 ALA N 3.300 2.500 3.500 3.033 3.033 3.033 . 0 0 "[ ]" 1
688 1 49 TYR H 1 49 TYR QD 4.500 . 5.700 2.784 2.784 2.784 . 0 0 "[ ]" 1
689 1 49 TYR H 1 50 ASN H 4.500 . 5.200 2.515 2.515 2.515 . 0 0 "[ ]" 1
690 1 49 TYR H 1 50 ASN QB 4.500 . 5.700 4.213 4.213 4.213 . 0 0 "[ ]" 1
691 1 49 TYR H 1 51 ALA H 4.500 . 5.200 4.242 4.242 4.242 . 0 0 "[ ]" 1
692 1 49 TYR H 1 52 LEU MD1 4.500 . 5.700 3.610 3.610 3.610 . 0 0 "[ ]" 1
693 1 49 TYR HA 1 50 ASN H 4.500 . 5.200 3.482 3.482 3.482 . 0 0 "[ ]" 1
694 1 49 TYR HA 1 52 LEU H 4.500 . 5.200 2.965 2.965 2.965 . 0 0 "[ ]" 1
695 1 49 TYR HA 1 52 LEU MD1 4.500 . 5.700 2.561 2.561 2.561 . 0 0 "[ ]" 1
696 1 49 TYR HA 1 52 LEU MD2 4.500 . 5.700 4.464 4.464 4.464 . 0 0 "[ ]" 1
697 1 49 TYR HA 1 52 LEU HG 4.500 . 5.200 4.324 4.324 4.324 . 0 0 "[ ]" 1
698 1 49 TYR HB2 1 50 ASN H 4.500 . 5.200 2.919 2.919 2.919 . 0 0 "[ ]" 1
699 1 49 TYR HB2 1 52 LEU MD1 4.500 . 5.700 4.623 4.623 4.623 . 0 0 "[ ]" 1
700 1 49 TYR HB3 1 50 ASN H 4.500 . 5.200 3.397 3.397 3.397 . 0 0 "[ ]" 1
701 1 49 TYR HB3 1 52 LEU MD1 4.500 . 5.700 4.827 4.827 4.827 . 0 0 "[ ]" 1
702 1 49 TYR QD 1 52 LEU MD1 4.500 . 5.700 2.280 2.280 2.280 . 0 0 "[ ]" 1
703 1 49 TYR QD 1 57 GLN HE21 4.500 . 5.700 4.036 4.036 4.036 . 0 0 "[ ]" 1
704 1 49 TYR QD 1 57 GLN HE22 4.500 . 5.700 4.498 4.498 4.498 . 0 0 "[ ]" 1
705 1 49 TYR QD 1 60 LEU MD2 4.500 . 5.700 5.702 5.702 5.702 0.002 1 0 "[ ]" 1
706 1 49 TYR QE 1 57 GLN H 4.500 . 5.700 5.441 5.441 5.441 . 0 0 "[ ]" 1
707 1 49 TYR QE 1 60 LEU H 4.500 . 5.700 4.536 4.536 4.536 . 0 0 "[ ]" 1
708 1 50 ASN H 1 50 ASN HD21 4.500 . 5.200 2.846 2.846 2.846 . 0 0 "[ ]" 1
709 1 50 ASN H 1 50 ASN HD22 4.500 . 5.200 4.427 4.427 4.427 . 0 0 "[ ]" 1
710 1 50 ASN H 1 51 ALA H 2.700 . 3.300 2.823 2.823 2.823 . 0 0 "[ ]" 1
711 1 50 ASN H 1 51 ALA MB 4.500 . 5.700 4.610 4.610 4.610 . 0 0 "[ ]" 1
712 1 50 ASN H 1 52 LEU H 4.500 . 5.200 4.118 4.118 4.118 . 0 0 "[ ]" 1
713 1 50 ASN H 1 57 GLN HE21 4.500 . 5.200 5.218 5.218 5.218 0.018 1 0 "[ ]" 1
714 1 50 ASN H 1 57 GLN HE22 4.500 . 5.200 4.862 4.862 4.862 . 0 0 "[ ]" 1
715 1 50 ASN HA 1 50 ASN HD21 4.500 . 5.200 2.001 2.001 2.001 . 0 0 "[ ]" 1
716 1 50 ASN HA 1 50 ASN HD22 4.500 . 5.200 3.230 3.230 3.230 . 0 0 "[ ]" 1
717 1 50 ASN HA 1 51 ALA H 4.500 . 5.200 3.497 3.497 3.497 . 0 0 "[ ]" 1
718 1 50 ASN HA 1 57 GLN HE21 4.500 . 5.200 4.904 4.904 4.904 . 0 0 "[ ]" 1
719 1 50 ASN HA 1 57 GLN HE22 4.500 . 5.200 3.751 3.751 3.751 . 0 0 "[ ]" 1
720 1 50 ASN QB 1 51 ALA H 4.500 . 5.700 2.931 2.931 2.931 . 0 0 "[ ]" 1
721 1 51 ALA H 1 51 ALA HA 2.700 . 3.300 2.942 2.942 2.942 . 0 0 "[ ]" 1
722 1 51 ALA H 1 51 ALA MB 2.200 . 3.200 2.407 2.407 2.407 . 0 0 "[ ]" 1
723 1 51 ALA H 1 52 LEU H 4.500 . 5.200 2.080 2.080 2.080 . 0 0 "[ ]" 1
724 1 51 ALA H 1 52 LEU HB2 4.500 . 5.200 3.899 3.899 3.899 . 0 0 "[ ]" 1
725 1 51 ALA H 1 52 LEU HG 4.500 . 5.200 4.908 4.908 4.908 . 0 0 "[ ]" 1
726 1 51 ALA H 1 57 GLN HE21 4.500 . 5.200 5.202 5.202 5.202 0.002 1 0 "[ ]" 1
727 1 51 ALA MB 1 52 LEU H 4.500 . 5.700 2.748 2.748 2.748 . 0 0 "[ ]" 1
728 1 52 LEU H 1 52 LEU MD1 4.500 . 5.700 3.203 3.203 3.203 . 0 0 "[ ]" 1
729 1 52 LEU H 1 52 LEU MD2 4.500 . 5.700 4.230 4.230 4.230 . 0 0 "[ ]" 1
730 1 52 LEU H 1 52 LEU HG 4.500 . 5.200 3.134 3.134 3.134 . 0 0 "[ ]" 1
731 1 52 LEU H 1 53 PRO HD2 4.500 . 5.200 4.997 4.997 4.997 . 0 0 "[ ]" 1
732 1 52 LEU H 1 53 PRO HD3 4.500 . 5.200 4.861 4.861 4.861 . 0 0 "[ ]" 1
733 1 52 LEU H 1 57 GLN HE21 4.500 . 5.200 4.260 4.260 4.260 . 0 0 "[ ]" 1
734 1 52 LEU H 1 57 GLN HE22 4.500 . 5.200 4.845 4.845 4.845 . 0 0 "[ ]" 1
735 1 52 LEU HA 1 52 LEU MD1 4.500 . 5.700 3.716 3.716 3.716 . 0 0 "[ ]" 1
736 1 52 LEU HA 1 52 LEU MD2 4.500 . 5.700 2.570 2.570 2.570 . 0 0 "[ ]" 1
737 1 52 LEU HA 1 53 PRO HD2 4.500 . 5.200 3.011 3.011 3.011 . 0 0 "[ ]" 1
738 1 52 LEU HA 1 53 PRO HD3 4.500 . 5.200 2.195 2.195 2.195 . 0 0 "[ ]" 1
739 1 52 LEU HB2 1 53 PRO HD3 4.500 . 5.200 4.299 4.299 4.299 . 0 0 "[ ]" 1
740 1 52 LEU HB2 1 57 GLN HE21 4.500 . 5.200 3.467 3.467 3.467 . 0 0 "[ ]" 1
741 1 52 LEU HB3 1 53 PRO HD3 4.500 . 5.200 3.064 3.064 3.064 . 0 0 "[ ]" 1
742 1 52 LEU HB3 1 57 GLN H 4.500 . 5.200 4.106 4.106 4.106 . 0 0 "[ ]" 1
743 1 52 LEU HB3 1 57 GLN HE21 4.500 . 5.200 3.654 3.654 3.654 . 0 0 "[ ]" 1
744 1 52 LEU HB3 1 57 GLN HE22 4.500 . 5.200 5.210 5.210 5.210 0.010 1 0 "[ ]" 1
745 1 52 LEU MD1 1 57 GLN HA 4.500 . 5.700 4.419 4.419 4.419 . 0 0 "[ ]" 1
746 1 52 LEU MD1 1 57 GLN HE21 4.500 . 5.700 4.769 4.769 4.769 . 0 0 "[ ]" 1
747 1 52 LEU MD2 1 53 PRO HD2 4.500 . 5.700 1.870 1.870 1.870 . 0 0 "[ ]" 1
748 1 52 LEU MD2 1 53 PRO HD3 4.500 . 5.700 2.057 2.057 2.057 . 0 0 "[ ]" 1
749 1 53 PRO HA 1 57 GLN H 4.500 . 5.200 4.846 4.846 4.846 . 0 0 "[ ]" 1
750 1 53 PRO HB2 1 54 ALA H 4.500 . 5.200 3.304 3.304 3.304 . 0 0 "[ ]" 1
751 1 53 PRO HB2 1 55 TRP H 4.500 . 5.200 3.029 3.029 3.029 . 0 0 "[ ]" 1
752 1 53 PRO HB2 1 55 TRP HD1 4.500 . 5.200 3.931 3.931 3.931 . 0 0 "[ ]" 1
753 1 53 PRO HB2 1 55 TRP HE1 4.500 . 5.700 4.752 4.752 4.752 . 0 0 "[ ]" 1
754 1 53 PRO HB2 1 56 LYS H 4.500 . 5.200 2.041 2.041 2.041 . 0 0 "[ ]" 1
755 1 53 PRO HB3 1 54 ALA H 4.500 . 5.200 2.913 2.913 2.913 . 0 0 "[ ]" 1
756 1 53 PRO HB3 1 55 TRP H 4.500 . 5.200 3.267 3.267 3.267 . 0 0 "[ ]" 1
757 1 53 PRO HB3 1 55 TRP HD1 4.500 . 5.200 3.444 3.444 3.444 . 0 0 "[ ]" 1
758 1 53 PRO HB3 1 55 TRP HE1 4.500 . 5.700 4.775 4.775 4.775 . 0 0 "[ ]" 1
759 1 53 PRO HB3 1 56 LYS H 4.500 . 5.200 3.110 3.110 3.110 . 0 0 "[ ]" 1
760 1 53 PRO HD2 1 56 LYS QD 4.500 . 5.700 3.874 3.874 3.874 . 0 0 "[ ]" 1
761 1 53 PRO HD3 1 56 LYS HB2 4.500 . 5.200 4.708 4.708 4.708 . 0 0 "[ ]" 1
762 1 53 PRO HD3 1 56 LYS HB3 4.500 . 5.200 4.414 4.414 4.414 . 0 0 "[ ]" 1
763 1 53 PRO HD3 1 56 LYS QD 4.500 . 5.700 4.487 4.487 4.487 . 0 0 "[ ]" 1
764 1 53 PRO HG2 1 55 TRP H 4.500 . 5.200 5.224 5.224 5.224 0.024 1 0 "[ ]" 1
765 1 53 PRO HG2 1 55 TRP HE1 4.500 . 5.700 4.870 4.870 4.870 . 0 0 "[ ]" 1
766 1 53 PRO HG2 1 56 LYS H 4.500 . 5.200 3.880 3.880 3.880 . 0 0 "[ ]" 1
767 1 53 PRO HG3 1 55 TRP HE1 4.500 . 5.700 5.713 5.713 5.713 0.013 1 0 "[ ]" 1
768 1 53 PRO HG3 1 56 LYS H 4.500 . 5.200 4.815 4.815 4.815 . 0 0 "[ ]" 1
769 1 53 PRO O 1 57 GLN H 2.300 . 2.500 2.478 2.478 2.478 . 0 0 "[ ]" 1
770 1 53 PRO O 1 57 GLN N 3.300 2.500 3.500 3.300 3.300 3.300 . 0 0 "[ ]" 1
771 1 54 ALA H 1 55 TRP H 4.500 . 5.200 2.302 2.302 2.302 . 0 0 "[ ]" 1
772 1 54 ALA H 1 55 TRP HD1 4.500 . 5.200 4.749 4.749 4.749 . 0 0 "[ ]" 1
773 1 54 ALA H 1 56 LYS H 4.500 . 5.200 3.874 3.874 3.874 . 0 0 "[ ]" 1
774 1 54 ALA HA 1 54 ALA MB 2.200 . 3.200 2.099 2.099 2.099 . 0 0 "[ ]" 1
775 1 54 ALA HA 1 55 TRP H 4.500 . 5.200 3.464 3.464 3.464 . 0 0 "[ ]" 1
776 1 54 ALA HA 1 56 LYS H 4.500 . 5.200 4.760 4.760 4.760 . 0 0 "[ ]" 1
777 1 54 ALA HA 1 57 GLN H 4.500 . 5.200 3.845 3.845 3.845 . 0 0 "[ ]" 1
778 1 54 ALA HA 1 57 GLN HB2 4.500 . 5.200 4.583 4.583 4.583 . 0 0 "[ ]" 1
779 1 54 ALA HA 1 57 GLN HB3 4.500 . 5.200 3.821 3.821 3.821 . 0 0 "[ ]" 1
780 1 54 ALA HA 1 58 VAL H 4.500 . 5.200 4.028 4.028 4.028 . 0 0 "[ ]" 1
781 1 54 ALA MB 1 55 TRP H 2.700 . 3.800 2.970 2.970 2.970 . 0 0 "[ ]" 1
782 1 54 ALA MB 1 55 TRP HD1 4.500 . 5.700 5.417 5.417 5.417 . 0 0 "[ ]" 1
783 1 54 ALA MB 1 57 GLN H 4.500 . 5.700 4.887 4.887 4.887 . 0 0 "[ ]" 1
784 1 54 ALA O 1 58 VAL H 2.300 . 2.500 2.571 2.571 2.571 0.071 1 0 "[ ]" 1
785 1 54 ALA O 1 58 VAL N 3.300 2.500 3.500 3.383 3.383 3.383 . 0 0 "[ ]" 1
786 1 55 TRP H 1 55 TRP HA 2.700 . 3.300 2.889 2.889 2.889 . 0 0 "[ ]" 1
787 1 55 TRP H 1 55 TRP HD1 2.700 . 3.300 3.381 3.381 3.381 0.081 1 0 "[ ]" 1
788 1 55 TRP H 1 55 TRP HE1 4.500 . 5.700 4.690 4.690 4.690 . 0 0 "[ ]" 1
789 1 55 TRP H 1 55 TRP HE3 4.500 . 5.200 5.111 5.111 5.111 . 0 0 "[ ]" 1
790 1 55 TRP H 1 56 LYS H 4.500 . 5.200 2.229 2.229 2.229 . 0 0 "[ ]" 1
791 1 55 TRP H 1 56 LYS HB2 4.500 . 5.200 4.114 4.114 4.114 . 0 0 "[ ]" 1
792 1 55 TRP H 1 57 GLN H 4.500 . 5.200 3.623 3.623 3.623 . 0 0 "[ ]" 1
793 1 55 TRP H 1 57 GLN HG2 4.500 . 5.200 3.733 3.733 3.733 . 0 0 "[ ]" 1
794 1 55 TRP H 1 59 ASN H 4.500 . 5.200 5.356 5.356 5.356 0.156 1 0 "[ ]" 1
795 1 55 TRP HA 1 55 TRP HD1 4.500 . 5.200 4.836 4.836 4.836 . 0 0 "[ ]" 1
796 1 55 TRP HA 1 56 LYS H 4.500 . 5.200 3.548 3.548 3.548 . 0 0 "[ ]" 1
797 1 55 TRP HA 1 58 VAL H 4.500 . 5.200 3.276 3.276 3.276 . 0 0 "[ ]" 1
798 1 55 TRP HA 1 58 VAL HB 4.500 . 5.200 2.268 2.268 2.268 . 0 0 "[ ]" 1
799 1 55 TRP HA 1 58 VAL MG1 4.500 . 5.700 3.639 3.639 3.639 . 0 0 "[ ]" 1
800 1 55 TRP HB3 1 56 LYS H 4.500 . 5.200 3.279 3.279 3.279 . 0 0 "[ ]" 1
801 1 55 TRP HD1 1 56 LYS H 4.500 . 5.200 3.084 3.084 3.084 . 0 0 "[ ]" 1
802 1 55 TRP HE3 1 56 LYS H 4.500 . 5.200 4.418 4.418 4.418 . 0 0 "[ ]" 1
803 1 55 TRP HE3 1 56 LYS HA 4.500 . 5.200 3.853 3.853 3.853 . 0 0 "[ ]" 1
804 1 55 TRP HH2 1 56 LYS QD 4.500 . 5.700 5.685 5.685 5.685 . 0 0 "[ ]" 1
805 1 55 TRP HH2 1 56 LYS HE2 4.500 . 5.200 5.047 5.047 5.047 . 0 0 "[ ]" 1
806 1 55 TRP HH2 1 56 LYS HE3 4.500 . 5.200 4.675 4.675 4.675 . 0 0 "[ ]" 1
807 1 55 TRP HH2 1 59 ASN H 4.500 . 5.200 5.381 5.381 5.381 0.181 1 0 "[ ]" 1
808 1 55 TRP HZ2 1 56 LYS HE2 4.500 . 5.200 3.511 3.511 3.511 . 0 0 "[ ]" 1
809 1 55 TRP HZ3 1 56 LYS HA 4.500 . 5.200 4.147 4.147 4.147 . 0 0 "[ ]" 1
810 1 55 TRP HZ3 1 56 LYS HG3 4.500 . 5.200 5.216 5.216 5.216 0.016 1 0 "[ ]" 1
811 1 55 TRP HZ3 1 59 ASN H 4.500 . 5.200 3.905 3.905 3.905 . 0 0 "[ ]" 1
812 1 55 TRP HZ3 1 59 ASN HD21 4.500 . 5.200 4.145 4.145 4.145 . 0 0 "[ ]" 1
813 1 55 TRP HZ3 1 59 ASN HD22 4.500 . 5.200 3.927 3.927 3.927 . 0 0 "[ ]" 1
814 1 55 TRP O 1 59 ASN H 2.300 . 2.500 1.505 1.505 1.505 . 0 0 "[ ]" 1
815 1 55 TRP O 1 59 ASN N 3.300 2.500 3.500 2.423 2.423 2.423 0.077 1 0 "[ ]" 1
816 1 56 LYS H 1 56 LYS HG2 4.500 . 5.200 4.642 4.642 4.642 . 0 0 "[ ]" 1
817 1 56 LYS H 1 56 LYS HG3 4.500 . 5.200 3.997 3.997 3.997 . 0 0 "[ ]" 1
818 1 56 LYS H 1 57 GLN H 4.500 . 5.200 2.629 2.629 2.629 . 0 0 "[ ]" 1
819 1 56 LYS H 1 57 GLN HA 4.500 . 5.200 5.234 5.234 5.234 0.034 1 0 "[ ]" 1
820 1 56 LYS H 1 57 GLN HG2 4.500 . 5.200 4.089 4.089 4.089 . 0 0 "[ ]" 1
821 1 56 LYS H 1 58 VAL H 4.500 . 5.200 3.924 3.924 3.924 . 0 0 "[ ]" 1
822 1 56 LYS H 1 59 ASN H 4.500 . 5.200 4.241 4.241 4.241 . 0 0 "[ ]" 1
823 1 56 LYS HA 1 59 ASN H 4.500 . 5.200 3.024 3.024 3.024 . 0 0 "[ ]" 1
824 1 56 LYS HA 1 59 ASN QB 4.500 . 5.700 2.040 2.040 2.040 . 0 0 "[ ]" 1
825 1 56 LYS HA 1 59 ASN HD21 4.500 . 5.200 3.628 3.628 3.628 . 0 0 "[ ]" 1
826 1 56 LYS HA 1 59 ASN HD22 4.500 . 5.200 4.958 4.958 4.958 . 0 0 "[ ]" 1
827 1 56 LYS HA 1 60 LEU H 4.500 . 5.200 4.551 4.551 4.551 . 0 0 "[ ]" 1
828 1 56 LYS HB2 1 57 GLN H 4.500 . 5.200 3.339 3.339 3.339 . 0 0 "[ ]" 1
829 1 56 LYS HB3 1 57 GLN H 4.500 . 5.200 2.738 2.738 2.738 . 0 0 "[ ]" 1
830 1 56 LYS HG2 1 57 GLN H 4.500 . 5.200 4.743 4.743 4.743 . 0 0 "[ ]" 1
831 1 56 LYS HG3 1 57 GLN H 4.500 . 5.200 4.868 4.868 4.868 . 0 0 "[ ]" 1
832 1 56 LYS O 1 60 LEU H 2.300 . 2.500 2.506 2.506 2.506 0.006 1 0 "[ ]" 1
833 1 56 LYS O 1 60 LEU N 3.300 2.500 3.500 3.355 3.355 3.355 . 0 0 "[ ]" 1
834 1 57 GLN H 1 57 GLN HG2 4.500 . 5.200 2.319 2.319 2.319 . 0 0 "[ ]" 1
835 1 57 GLN H 1 57 GLN HG3 4.500 . 5.200 3.404 3.404 3.404 . 0 0 "[ ]" 1
836 1 57 GLN H 1 58 VAL H 4.500 . 5.200 2.577 2.577 2.577 . 0 0 "[ ]" 1
837 1 57 GLN H 1 60 LEU H 4.500 . 5.200 5.130 5.130 5.130 . 0 0 "[ ]" 1
838 1 57 GLN HA 1 57 GLN HE21 4.500 . 5.200 4.301 4.301 4.301 . 0 0 "[ ]" 1
839 1 57 GLN HA 1 58 VAL H 4.500 . 5.200 3.533 3.533 3.533 . 0 0 "[ ]" 1
840 1 57 GLN HA 1 60 LEU H 4.500 . 5.200 3.769 3.769 3.769 . 0 0 "[ ]" 1
841 1 57 GLN HA 1 60 LEU HB2 4.500 . 5.200 3.503 3.503 3.503 . 0 0 "[ ]" 1
842 1 57 GLN HA 1 60 LEU HB3 4.500 . 5.200 5.044 5.044 5.044 . 0 0 "[ ]" 1
843 1 57 GLN HA 1 60 LEU MD2 4.500 . 5.700 3.797 3.797 3.797 . 0 0 "[ ]" 1
844 1 57 GLN HB2 1 58 VAL H 4.500 . 5.200 3.792 3.792 3.792 . 0 0 "[ ]" 1
845 1 57 GLN HB3 1 58 VAL H 4.500 . 5.200 3.794 3.794 3.794 . 0 0 "[ ]" 1
846 1 57 GLN HB3 1 59 ASN H 4.500 . 5.700 5.702 5.702 5.702 0.002 1 0 "[ ]" 1
847 1 57 GLN O 1 61 LYS H 2.300 . 2.500 2.515 2.515 2.515 0.015 1 0 "[ ]" 1
848 1 57 GLN O 1 61 LYS N 3.300 2.500 3.500 3.467 3.467 3.467 . 0 0 "[ ]" 1
849 1 58 VAL H 1 58 VAL MG1 4.500 . 5.700 3.736 3.736 3.736 . 0 0 "[ ]" 1
850 1 58 VAL H 1 58 VAL MG2 4.500 . 5.700 2.431 2.431 2.431 . 0 0 "[ ]" 1
851 1 58 VAL H 1 59 ASN H 4.500 . 5.200 2.578 2.578 2.578 . 0 0 "[ ]" 1
852 1 58 VAL H 1 59 ASN QB 4.500 . 5.700 4.255 4.255 4.255 . 0 0 "[ ]" 1
853 1 58 VAL H 1 60 LEU H 4.500 . 5.200 4.293 4.293 4.293 . 0 0 "[ ]" 1
854 1 58 VAL H 1 61 LYS HB2 4.500 . 5.200 5.055 5.055 5.055 . 0 0 "[ ]" 1
855 1 58 VAL HA 1 58 VAL MG1 2.700 . 3.800 2.467 2.467 2.467 . 0 0 "[ ]" 1
856 1 58 VAL HA 1 58 VAL MG2 2.700 . 3.800 2.337 2.337 2.337 . 0 0 "[ ]" 1
857 1 58 VAL HA 1 59 ASN H 4.500 . 5.200 3.572 3.572 3.572 . 0 0 "[ ]" 1
858 1 58 VAL HA 1 60 LEU H 4.500 . 5.200 4.032 4.032 4.032 . 0 0 "[ ]" 1
859 1 58 VAL HA 1 61 LYS H 4.500 . 5.200 3.082 3.082 3.082 . 0 0 "[ ]" 1
860 1 58 VAL HA 1 61 LYS HB2 4.500 . 5.200 2.301 2.301 2.301 . 0 0 "[ ]" 1
861 1 58 VAL HA 1 61 LYS HB3 4.500 . 5.200 3.936 3.936 3.936 . 0 0 "[ ]" 1
862 1 58 VAL HA 1 62 LYS H 4.500 . 5.200 4.221 4.221 4.221 . 0 0 "[ ]" 1
863 1 58 VAL HA 1 67 PHE QD 4.500 . 5.700 4.387 4.387 4.387 . 0 0 "[ ]" 1
864 1 58 VAL HB 1 59 ASN H 4.500 . 5.200 2.691 2.691 2.691 . 0 0 "[ ]" 1
865 1 58 VAL MG1 1 59 ASN H 2.700 . 3.800 3.295 3.295 3.295 . 0 0 "[ ]" 1
866 1 58 VAL MG1 1 62 LYS H 4.500 . 5.700 3.363 3.363 3.363 . 0 0 "[ ]" 1
867 1 58 VAL MG1 1 67 PHE QD 4.500 . 5.700 3.063 3.063 3.063 . 0 0 "[ ]" 1
868 1 58 VAL MG1 1 67 PHE HZ 4.500 . 5.700 4.949 4.949 4.949 . 0 0 "[ ]" 1
869 1 58 VAL MG2 1 59 ASN H 4.500 . 5.700 3.990 3.990 3.990 . 0 0 "[ ]" 1
870 1 58 VAL MG2 1 59 ASN HA 4.500 . 5.700 5.455 5.455 5.455 . 0 0 "[ ]" 1
871 1 58 VAL MG2 1 61 LYS H 4.500 . 5.700 4.900 4.900 4.900 . 0 0 "[ ]" 1
872 1 58 VAL MG2 1 62 LYS H 4.500 . 5.700 5.361 5.361 5.361 . 0 0 "[ ]" 1
873 1 58 VAL MG2 1 62 LYS QD 4.500 . 5.700 5.233 5.233 5.233 . 0 0 "[ ]" 1
874 1 58 VAL MG2 1 62 LYS HE3 4.500 . 5.700 4.421 4.421 4.421 . 0 0 "[ ]" 1
875 1 58 VAL MG2 1 67 PHE QB 4.500 . 5.700 3.958 3.958 3.958 . 0 0 "[ ]" 1
876 1 58 VAL MG2 1 67 PHE QD 4.500 . 5.700 3.322 3.322 3.322 . 0 0 "[ ]" 1
877 1 58 VAL O 1 62 LYS H 2.300 . 2.500 2.168 2.168 2.168 . 0 0 "[ ]" 1
878 1 58 VAL O 1 62 LYS N 3.300 2.500 3.500 3.121 3.121 3.121 . 0 0 "[ ]" 1
879 1 59 ASN H 1 59 ASN QB 2.200 . 3.200 2.179 2.179 2.179 . 0 0 "[ ]" 1
880 1 59 ASN H 1 60 LEU H 4.500 . 5.200 2.979 2.979 2.979 . 0 0 "[ ]" 1
881 1 59 ASN H 1 60 LEU HB2 4.500 . 5.200 4.853 4.853 4.853 . 0 0 "[ ]" 1
882 1 59 ASN H 1 61 LYS H 4.500 . 5.200 4.470 4.470 4.470 . 0 0 "[ ]" 1
883 1 59 ASN H 1 62 LYS H 4.500 . 5.200 5.194 5.194 5.194 . 0 0 "[ ]" 1
884 1 59 ASN HA 1 59 ASN HD21 4.500 . 5.200 4.403 4.403 4.403 . 0 0 "[ ]" 1
885 1 59 ASN HA 1 60 LEU H 4.500 . 5.200 3.537 3.537 3.537 . 0 0 "[ ]" 1
886 1 59 ASN HA 1 62 LYS H 4.500 . 5.200 4.106 4.106 4.106 . 0 0 "[ ]" 1
887 1 59 ASN HA 1 62 LYS QB 4.500 . 5.700 3.687 3.687 3.687 . 0 0 "[ ]" 1
888 1 59 ASN HA 1 62 LYS QD 4.500 . 5.700 3.025 3.025 3.025 . 0 0 "[ ]" 1
889 1 59 ASN HA 1 63 ALA H 4.500 . 5.200 4.699 4.699 4.699 . 0 0 "[ ]" 1
890 1 59 ASN QB 1 60 LEU H 4.500 . 5.700 2.507 2.507 2.507 . 0 0 "[ ]" 1
891 1 59 ASN QB 1 61 LYS H 4.500 . 5.700 4.784 4.784 4.784 . 0 0 "[ ]" 1
892 1 59 ASN QB 1 62 LYS H 4.500 . 5.700 5.417 5.417 5.417 . 0 0 "[ ]" 1
893 1 59 ASN O 1 63 ALA H 2.300 . 2.500 2.518 2.518 2.518 0.018 1 0 "[ ]" 1
894 1 59 ASN O 1 63 ALA N 3.300 2.500 3.500 3.358 3.358 3.358 . 0 0 "[ ]" 1
895 1 60 LEU H 1 60 LEU MD1 4.500 . 5.700 3.998 3.998 3.998 . 0 0 "[ ]" 1
896 1 60 LEU H 1 60 LEU MD2 4.500 . 5.700 2.627 2.627 2.627 . 0 0 "[ ]" 1
897 1 60 LEU H 1 60 LEU HG 4.500 . 5.200 4.279 4.279 4.279 . 0 0 "[ ]" 1
898 1 60 LEU H 1 61 LYS HA 4.500 . 5.200 5.199 5.199 5.199 . 0 0 "[ ]" 1
899 1 60 LEU H 1 61 LYS HB2 4.500 . 5.200 4.431 4.431 4.431 . 0 0 "[ ]" 1
900 1 60 LEU H 1 62 LYS H 4.500 . 5.200 4.320 4.320 4.320 . 0 0 "[ ]" 1
901 1 60 LEU HA 1 60 LEU MD1 4.500 . 5.700 2.013 2.013 2.013 . 0 0 "[ ]" 1
902 1 60 LEU HA 1 60 LEU MD2 4.500 . 5.700 2.519 2.519 2.519 . 0 0 "[ ]" 1
903 1 60 LEU HA 1 61 LYS H 4.500 . 5.200 3.568 3.568 3.568 . 0 0 "[ ]" 1
904 1 60 LEU HB2 1 61 LYS H 4.500 . 5.200 2.913 2.913 2.913 . 0 0 "[ ]" 1
905 1 60 LEU HB3 1 61 LYS H 4.500 . 5.200 3.008 3.008 3.008 . 0 0 "[ ]" 1
906 1 60 LEU MD1 1 63 ALA H 4.500 . 5.700 4.176 4.176 4.176 . 0 0 "[ ]" 1
907 1 60 LEU MD2 1 61 LYS H 4.500 . 5.700 4.396 4.396 4.396 . 0 0 "[ ]" 1
908 1 61 LYS H 1 61 LYS QG 4.500 . 5.700 3.069 3.069 3.069 . 0 0 "[ ]" 1
909 1 61 LYS H 1 62 LYS H 4.500 . 5.200 2.943 2.943 2.943 . 0 0 "[ ]" 1
910 1 61 LYS H 1 67 PHE QB 4.500 . 5.700 4.789 4.789 4.789 . 0 0 "[ ]" 1
911 1 61 LYS HA 1 62 LYS H 4.500 . 5.200 3.555 3.555 3.555 . 0 0 "[ ]" 1
912 1 61 LYS HA 1 63 ALA H 4.500 . 5.200 4.330 4.330 4.330 . 0 0 "[ ]" 1
913 1 61 LYS HA 1 64 LYS H 4.500 . 5.200 3.558 3.558 3.558 . 0 0 "[ ]" 1
914 1 61 LYS HA 1 64 LYS HB3 4.500 . 5.200 3.801 3.801 3.801 . 0 0 "[ ]" 1
915 1 61 LYS HA 1 65 GLY H 4.500 . 5.200 4.049 4.049 4.049 . 0 0 "[ ]" 1
916 1 61 LYS HA 1 66 LEU H 4.500 . 5.200 3.345 3.345 3.345 . 0 0 "[ ]" 1
917 1 61 LYS HA 1 66 LEU HB2 4.500 . 5.200 2.673 2.673 2.673 . 0 0 "[ ]" 1
918 1 61 LYS HA 1 66 LEU MD1 4.500 . 5.700 2.974 2.974 2.974 . 0 0 "[ ]" 1
919 1 61 LYS HA 1 67 PHE H 4.500 . 5.200 3.606 3.606 3.606 . 0 0 "[ ]" 1
920 1 61 LYS HB2 1 62 LYS H 4.500 . 5.200 2.758 2.758 2.758 . 0 0 "[ ]" 1
921 1 61 LYS HB2 1 67 PHE HA 4.500 . 5.200 5.255 5.255 5.255 0.055 1 0 "[ ]" 1
922 1 61 LYS HB2 1 67 PHE QB 4.500 . 5.700 2.808 2.808 2.808 . 0 0 "[ ]" 1
923 1 61 LYS HB3 1 67 PHE QB 4.500 . 5.700 1.769 1.769 1.769 0.031 1 0 "[ ]" 1
924 1 61 LYS HB3 1 67 PHE QE 4.500 . 5.700 4.843 4.843 4.843 . 0 0 "[ ]" 1
925 1 61 LYS O 1 64 LYS H 2.300 . 2.500 2.504 2.504 2.504 0.004 1 0 "[ ]" 1
926 1 61 LYS O 1 64 LYS N 3.300 2.500 3.500 3.159 3.159 3.159 . 0 0 "[ ]" 1
927 1 61 LYS O 1 66 LEU H 2.300 . 2.500 1.845 1.845 1.845 . 0 0 "[ ]" 1
928 1 61 LYS O 1 66 LEU N 3.300 2.500 3.500 2.748 2.748 2.748 . 0 0 "[ ]" 1
929 1 62 LYS H 1 62 LYS QD 4.500 . 5.700 3.655 3.655 3.655 . 0 0 "[ ]" 1
930 1 62 LYS H 1 62 LYS HG2 4.500 . 5.200 3.229 3.229 3.229 . 0 0 "[ ]" 1
931 1 62 LYS H 1 62 LYS HG3 4.500 . 5.200 1.985 1.985 1.985 . 0 0 "[ ]" 1
932 1 62 LYS H 1 63 ALA H 4.500 . 5.200 2.601 2.601 2.601 . 0 0 "[ ]" 1
933 1 62 LYS H 1 64 LYS H 4.500 . 5.200 4.189 4.189 4.189 . 0 0 "[ ]" 1
934 1 62 LYS H 1 66 LEU HB2 4.500 . 5.200 5.144 5.144 5.144 . 0 0 "[ ]" 1
935 1 62 LYS H 1 67 PHE QB 4.500 . 5.700 3.647 3.647 3.647 . 0 0 "[ ]" 1
936 1 62 LYS HA 1 63 ALA H 4.500 . 5.200 3.516 3.516 3.516 . 0 0 "[ ]" 1
937 1 62 LYS HA 1 65 GLY H 4.500 . 5.200 3.069 3.069 3.069 . 0 0 "[ ]" 1
938 1 62 LYS HA 1 66 LEU H 4.500 . 5.200 3.756 3.756 3.756 . 0 0 "[ ]" 1
939 1 62 LYS HA 1 67 PHE H 4.500 . 5.200 4.433 4.433 4.433 . 0 0 "[ ]" 1
940 1 62 LYS HA 1 67 PHE QB 4.500 . 5.700 3.853 3.853 3.853 . 0 0 "[ ]" 1
941 1 62 LYS QB 1 62 LYS HE2 4.500 . 5.700 3.698 3.698 3.698 . 0 0 "[ ]" 1
942 1 62 LYS QB 1 63 ALA H 4.500 . 5.700 2.651 2.651 2.651 . 0 0 "[ ]" 1
943 1 62 LYS QB 1 65 GLY H 4.500 . 5.700 4.546 4.546 4.546 . 0 0 "[ ]" 1
944 1 62 LYS QD 1 67 PHE QD 4.500 . 5.700 5.705 5.705 5.705 0.005 1 0 "[ ]" 1
945 1 62 LYS HG2 1 67 PHE H 4.500 . 5.200 5.203 5.203 5.203 0.003 1 0 "[ ]" 1
946 1 62 LYS HG2 1 67 PHE QD 4.500 . 5.700 4.857 4.857 4.857 . 0 0 "[ ]" 1
947 1 62 LYS HG3 1 67 PHE H 4.500 . 5.200 5.199 5.199 5.199 . 0 0 "[ ]" 1
948 1 62 LYS HG3 1 67 PHE QD 4.500 . 5.700 4.918 4.918 4.918 . 0 0 "[ ]" 1
949 1 63 ALA H 1 63 ALA HA 2.700 . 3.300 2.797 2.797 2.797 . 0 0 "[ ]" 1
950 1 63 ALA H 1 63 ALA MB 2.200 . 3.200 2.089 2.089 2.089 . 0 0 "[ ]" 1
951 1 63 ALA H 1 64 LYS H 4.500 . 5.200 2.701 2.701 2.701 . 0 0 "[ ]" 1
952 1 63 ALA HA 1 64 LYS H 4.500 . 5.200 3.531 3.531 3.531 . 0 0 "[ ]" 1
953 1 63 ALA MB 1 64 LYS H 4.500 . 5.700 2.638 2.638 2.638 . 0 0 "[ ]" 1
954 1 63 ALA MB 1 65 GLY H 4.500 . 5.700 4.343 4.343 4.343 . 0 0 "[ ]" 1
955 1 64 LYS H 1 64 LYS QE 4.500 . 5.700 3.879 3.879 3.879 . 0 0 "[ ]" 1
956 1 64 LYS H 1 64 LYS QG 4.500 . 5.700 4.039 4.039 4.039 . 0 0 "[ ]" 1
957 1 64 LYS H 1 65 GLY HA2 4.500 . 5.200 4.557 4.557 4.557 . 0 0 "[ ]" 1
958 1 64 LYS H 1 66 LEU H 4.500 . 5.200 3.723 3.723 3.723 . 0 0 "[ ]" 1
959 1 64 LYS HA 1 65 GLY H 4.500 . 5.200 3.465 3.465 3.465 . 0 0 "[ ]" 1
960 1 64 LYS HB2 1 65 GLY H 4.500 . 5.200 3.685 3.685 3.685 . 0 0 "[ ]" 1
961 1 64 LYS HB2 1 66 LEU H 4.500 . 5.200 4.285 4.285 4.285 . 0 0 "[ ]" 1
962 1 64 LYS HB3 1 66 LEU H 4.500 . 5.200 3.074 3.074 3.074 . 0 0 "[ ]" 1
963 1 64 LYS HB3 1 66 LEU MD1 4.500 . 5.700 3.276 3.276 3.276 . 0 0 "[ ]" 1
964 1 65 GLY H 1 66 LEU H 4.500 . 5.200 2.228 2.228 2.228 . 0 0 "[ ]" 1
965 1 65 GLY H 1 66 LEU HB2 4.500 . 5.200 4.375 4.375 4.375 . 0 0 "[ ]" 1
966 1 65 GLY HA2 1 66 LEU H 4.500 . 5.200 3.072 3.072 3.072 . 0 0 "[ ]" 1
967 1 65 GLY HA2 1 67 PHE H 4.500 . 5.200 5.218 5.218 5.218 0.018 1 0 "[ ]" 1
968 1 65 GLY HA3 1 66 LEU H 4.500 . 5.200 3.477 3.477 3.477 . 0 0 "[ ]" 1
969 1 66 LEU H 1 66 LEU MD1 4.500 . 5.700 3.745 3.745 3.745 . 0 0 "[ ]" 1
970 1 66 LEU H 1 66 LEU MD2 4.500 . 5.700 3.740 3.740 3.740 . 0 0 "[ ]" 1
971 1 66 LEU H 1 66 LEU HG 4.500 . 5.200 2.699 2.699 2.699 . 0 0 "[ ]" 1
972 1 66 LEU H 1 67 PHE H 4.500 . 5.200 3.060 3.060 3.060 . 0 0 "[ ]" 1
973 1 66 LEU H 1 67 PHE QB 4.500 . 5.700 4.482 4.482 4.482 . 0 0 "[ ]" 1
974 1 66 LEU HA 1 66 LEU MD1 4.500 . 5.700 3.847 3.847 3.847 . 0 0 "[ ]" 1
975 1 66 LEU HA 1 66 LEU MD2 4.500 . 5.700 1.876 1.876 1.876 . 0 0 "[ ]" 1
976 1 66 LEU HA 1 67 PHE H 4.500 . 5.200 3.553 3.553 3.553 . 0 0 "[ ]" 1
977 1 66 LEU HB2 1 66 LEU MD1 2.700 . 3.800 2.181 2.181 2.181 . 0 0 "[ ]" 1
978 1 66 LEU HB2 1 67 PHE QE 4.500 . 5.700 5.749 5.749 5.749 0.049 1 0 "[ ]" 1
979 1 66 LEU HB3 1 67 PHE H 4.500 . 5.200 2.594 2.594 2.594 . 0 0 "[ ]" 1
980 1 66 LEU HB3 1 67 PHE QD 4.500 . 5.700 3.649 3.649 3.649 . 0 0 "[ ]" 1
981 1 66 LEU MD1 1 67 PHE H 4.500 . 5.700 3.783 3.783 3.783 . 0 0 "[ ]" 1
982 1 66 LEU MD2 1 67 PHE H 4.500 . 5.700 4.321 4.321 4.321 . 0 0 "[ ]" 1
983 1 67 PHE QB 1 67 PHE QD 2.700 . 3.800 2.147 2.147 2.147 . 0 0 "[ ]" 1
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