NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
573731 |
2m5w   |
18621 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m5w
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 879
_Distance_constraint_stats_list.Viol_count 2375
_Distance_constraint_stats_list.Viol_total 3409.369
_Distance_constraint_stats_list.Viol_max 0.779
_Distance_constraint_stats_list.Viol_rms 0.0191
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0040
_Distance_constraint_stats_list.Viol_average_violations_only 0.0463
_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 1 MET 0.456 0.159 3 0 "[ . 1 . 2 . 3 ]"
1 3 GLU 1.629 0.150 26 0 "[ . 1 . 2 . 3 ]"
1 4 GLU 0.791 0.077 23 0 "[ . 1 . 2 . 3 ]"
1 5 THR 2.381 0.159 3 0 "[ . 1 . 2 . 3 ]"
1 6 SER 1.033 0.075 14 0 "[ . 1 . 2 . 3 ]"
1 7 THR 9.903 0.170 14 0 "[ . 1 . 2 . 3 ]"
1 8 GLN 6.672 0.094 21 0 "[ . 1 . 2 . 3 ]"
1 9 ILE 5.838 0.138 18 0 "[ . 1 . 2 . 3 ]"
1 10 LEU 4.862 0.130 28 0 "[ . 1 . 2 . 3 ]"
1 11 LYS 2.147 0.110 27 0 "[ . 1 . 2 . 3 ]"
1 12 GLN 2.152 0.111 11 0 "[ . 1 . 2 . 3 ]"
1 13 VAL 2.352 0.111 11 0 "[ . 1 . 2 . 3 ]"
1 14 GLU 2.028 0.079 13 0 "[ . 1 . 2 . 3 ]"
1 15 TYR 1.508 0.056 30 0 "[ . 1 . 2 . 3 ]"
1 16 TYR 1.426 0.050 8 0 "[ . 1 . 2 . 3 ]"
1 17 PHE 4.932 0.779 27 4 "[ *.- 1 *. 2 . + 3 ]"
1 18 SER 0.104 0.043 20 0 "[ . 1 . 2 . 3 ]"
1 19 ASP 1.356 0.081 17 0 "[ . 1 . 2 . 3 ]"
1 20 SER 0.676 0.081 17 0 "[ . 1 . 2 . 3 ]"
1 21 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 22 PHE 0.680 0.075 30 0 "[ . 1 . 2 . 3 ]"
1 23 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 24 ARG 0.949 0.079 25 0 "[ . 1 . 2 . 3 ]"
1 25 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 26 LYS 3.174 0.079 25 0 "[ . 1 . 2 . 3 ]"
1 27 PHE 2.290 0.067 19 0 "[ . 1 . 2 . 3 ]"
1 28 LEU 2.206 0.077 6 0 "[ . 1 . 2 . 3 ]"
1 29 ARG 4.566 0.166 16 0 "[ . 1 . 2 . 3 ]"
1 30 SER 1.391 0.062 23 0 "[ . 1 . 2 . 3 ]"
1 31 GLU 0.947 0.067 19 0 "[ . 1 . 2 . 3 ]"
1 32 ALA 4.560 0.166 16 0 "[ . 1 . 2 . 3 ]"
1 33 ALA 0.486 0.058 20 0 "[ . 1 . 2 . 3 ]"
1 34 LYS 2.152 0.168 23 0 "[ . 1 . 2 . 3 ]"
1 35 ASN 4.007 0.172 28 0 "[ . 1 . 2 . 3 ]"
1 36 VAL 1.908 0.105 27 0 "[ . 1 . 2 . 3 ]"
1 37 ASP 6.134 0.346 28 0 "[ . 1 . 2 . 3 ]"
1 38 ASN 0.832 0.067 19 0 "[ . 1 . 2 . 3 ]"
1 39 TYR 0.077 0.037 8 0 "[ . 1 . 2 . 3 ]"
1 40 ILE 0.498 0.055 14 0 "[ . 1 . 2 . 3 ]"
1 41 SER 2.740 0.108 10 0 "[ . 1 . 2 . 3 ]"
1 42 ILE 0.539 0.068 26 0 "[ . 1 . 2 . 3 ]"
1 43 ASP 1.571 0.098 6 0 "[ . 1 . 2 . 3 ]"
1 44 VAL 1.830 0.098 23 0 "[ . 1 . 2 . 3 ]"
1 45 ILE 4.433 0.087 19 0 "[ . 1 . 2 . 3 ]"
1 46 ALA 1.740 0.065 6 0 "[ . 1 . 2 . 3 ]"
1 47 SER 3.086 0.098 23 0 "[ . 1 . 2 . 3 ]"
1 48 PHE 5.466 0.779 27 4 "[ *.- 1 *. 2 . + 3 ]"
1 49 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 50 ARG 1.047 0.064 20 0 "[ . 1 . 2 . 3 ]"
1 51 MET 3.159 0.139 8 0 "[ . 1 . 2 . 3 ]"
1 52 LYS 0.030 0.024 20 0 "[ . 1 . 2 . 3 ]"
1 53 THR 1.304 0.064 20 0 "[ . 1 . 2 . 3 ]"
1 54 ILE 3.712 0.139 8 0 "[ . 1 . 2 . 3 ]"
1 55 SER 3.826 0.146 29 0 "[ . 1 . 2 . 3 ]"
1 56 THR 4.393 0.146 29 0 "[ . 1 . 2 . 3 ]"
1 57 ASP 2.450 0.112 24 0 "[ . 1 . 2 . 3 ]"
1 58 LEU 2.510 0.178 22 0 "[ . 1 . 2 . 3 ]"
1 59 GLN 6.115 0.180 14 0 "[ . 1 . 2 . 3 ]"
1 60 LEU 2.725 0.115 14 0 "[ . 1 . 2 . 3 ]"
1 61 ILE 4.005 0.096 7 0 "[ . 1 . 2 . 3 ]"
1 62 THR 7.888 0.180 14 0 "[ . 1 . 2 . 3 ]"
1 63 GLU 3.802 0.084 30 0 "[ . 1 . 2 . 3 ]"
1 64 ALA 5.232 0.170 14 0 "[ . 1 . 2 . 3 ]"
1 65 LEU 2.688 0.084 30 0 "[ . 1 . 2 . 3 ]"
1 66 LYS 0.301 0.028 17 0 "[ . 1 . 2 . 3 ]"
1 67 LYS 1.497 0.087 15 0 "[ . 1 . 2 . 3 ]"
1 68 SER 3.893 0.150 2 0 "[ . 1 . 2 . 3 ]"
1 69 THR 0.231 0.036 7 0 "[ . 1 . 2 . 3 ]"
1 70 ARG 0.033 0.020 30 0 "[ . 1 . 2 . 3 ]"
1 71 LEU 4.769 0.150 2 0 "[ . 1 . 2 . 3 ]"
1 72 GLN 0.119 0.030 20 0 "[ . 1 . 2 . 3 ]"
1 73 VAL 3.380 0.153 31 0 "[ . 1 . 2 . 3 ]"
1 74 SER 5.850 0.181 18 0 "[ . 1 . 2 . 3 ]"
1 75 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 76 ASP 2.990 0.153 26 0 "[ . 1 . 2 . 3 ]"
1 77 GLY 3.296 0.181 18 0 "[ . 1 . 2 . 3 ]"
1 78 LYS 1.679 0.108 10 0 "[ . 1 . 2 . 3 ]"
1 79 MET 3.193 0.153 26 0 "[ . 1 . 2 . 3 ]"
1 80 VAL 0.400 0.152 14 0 "[ . 1 . 2 . 3 ]"
1 81 ARG 3.659 0.153 31 0 "[ . 1 . 2 . 3 ]"
1 82 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 83 LEU 1.076 0.061 15 0 "[ . 1 . 2 . 3 ]"
1 85 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 86 LEU 0.095 0.078 25 0 "[ . 1 . 2 . 3 ]"
1 87 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 88 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 89 ASN 1.283 0.103 1 0 "[ . 1 . 2 . 3 ]"
1 90 ILE 1.599 0.103 1 0 "[ . 1 . 2 . 3 ]"
1 91 ASP 0.316 0.058 22 0 "[ . 1 . 2 . 3 ]"
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 1 MET H1 1 1 MET QG . . 6.500 3.245 1.916 4.195 . 0 0 "[ . 1 . 2 . 3 ]" 1
2 1 1 MET H1 1 5 THR H . . 5.500 4.528 2.824 5.659 0.159 3 0 "[ . 1 . 2 . 3 ]" 1
3 1 3 GLU HA 1 4 GLU HA . . 4.800 4.772 4.661 4.827 0.027 28 0 "[ . 1 . 2 . 3 ]" 1
4 1 3 GLU HA 1 4 GLU QB . . 6.900 5.320 5.125 5.505 . 0 0 "[ . 1 . 2 . 3 ]" 1
5 1 3 GLU HA 1 7 THR H . . 3.400 3.414 3.143 3.550 0.150 26 0 "[ . 1 . 2 . 3 ]" 1
6 1 3 GLU QB 1 4 GLU HA . . 6.900 4.213 3.857 4.581 . 0 0 "[ . 1 . 2 . 3 ]" 1
7 1 3 GLU QB 1 4 GLU QB . . 6.900 4.901 4.091 5.383 . 0 0 "[ . 1 . 2 . 3 ]" 1
8 1 4 GLU H 1 5 THR H . . 5.100 2.814 2.394 3.034 . 0 0 "[ . 1 . 2 . 3 ]" 1
9 1 4 GLU H 1 7 THR H . . 6.800 4.722 4.536 4.942 . 0 0 "[ . 1 . 2 . 3 ]" 1
10 1 4 GLU HA 1 5 THR HA . . 4.800 4.714 4.582 4.813 0.013 19 0 "[ . 1 . 2 . 3 ]" 1
11 1 4 GLU HA 1 7 THR HB . . 3.600 3.090 2.469 3.544 . 0 0 "[ . 1 . 2 . 3 ]" 1
12 1 4 GLU HA 1 8 GLN H . . 4.100 4.100 3.787 4.177 0.077 23 0 "[ . 1 . 2 . 3 ]" 1
13 1 4 GLU QB 1 5 THR HA . . 6.000 3.820 3.656 3.977 . 0 0 "[ . 1 . 2 . 3 ]" 1
14 1 4 GLU QB 1 5 THR HB . . 6.900 4.771 4.357 5.090 . 0 0 "[ . 1 . 2 . 3 ]" 1
15 1 4 GLU QB 1 5 THR MG . . 6.500 4.783 4.551 4.852 . 0 0 "[ . 1 . 2 . 3 ]" 1
16 1 4 GLU QG 1 5 THR H . . 6.900 4.183 3.994 4.426 . 0 0 "[ . 1 . 2 . 3 ]" 1
17 1 4 GLU QG 1 6 SER H . . 6.900 5.870 5.608 6.168 . 0 0 "[ . 1 . 2 . 3 ]" 1
18 1 4 GLU QG 1 7 THR H . . 6.900 5.645 5.236 5.895 . 0 0 "[ . 1 . 2 . 3 ]" 1
19 1 5 THR H 1 6 SER H . . 4.200 2.656 2.511 2.786 . 0 0 "[ . 1 . 2 . 3 ]" 1
20 1 5 THR H 1 6 SER QB . . 4.980 4.371 4.185 4.483 . 0 0 "[ . 1 . 2 . 3 ]" 1
21 1 5 THR H 1 7 THR H . . 4.300 4.204 3.838 4.331 0.031 10 0 "[ . 1 . 2 . 3 ]" 1
22 1 5 THR HA 1 6 SER HA . . 5.300 4.808 4.699 4.908 . 0 0 "[ . 1 . 2 . 3 ]" 1
23 1 5 THR HA 1 7 THR H . . 4.500 4.514 4.343 4.594 0.094 9 0 "[ . 1 . 2 . 3 ]" 1
24 1 5 THR HA 1 8 GLN H . . 5.500 3.336 3.056 3.470 . 0 0 "[ . 1 . 2 . 3 ]" 1
25 1 5 THR HA 1 8 GLN QB . . 4.780 2.509 2.166 3.054 . 0 0 "[ . 1 . 2 . 3 ]" 1
26 1 5 THR HB 1 6 SER HA . . 4.500 4.010 3.711 4.320 . 0 0 "[ . 1 . 2 . 3 ]" 1
27 1 5 THR HB 1 8 GLN H . . 5.300 5.324 5.239 5.372 0.072 2 0 "[ . 1 . 2 . 3 ]" 1
28 1 5 THR HB 1 9 ILE H . . 6.500 5.715 5.356 6.151 . 0 0 "[ . 1 . 2 . 3 ]" 1
29 1 5 THR MG 1 6 SER H . . 6.700 3.705 3.454 3.943 . 0 0 "[ . 1 . 2 . 3 ]" 1
30 1 5 THR MG 1 8 GLN QG . . 6.900 4.355 3.885 4.877 . 0 0 "[ . 1 . 2 . 3 ]" 1
31 1 5 THR MG 1 9 ILE MD . . 5.100 3.043 2.093 3.560 . 0 0 "[ . 1 . 2 . 3 ]" 1
32 1 5 THR MG 1 55 SER QB . . 7.780 4.837 4.126 5.786 . 0 0 "[ . 1 . 2 . 3 ]" 1
33 1 6 SER H 1 6 SER QB . . 3.540 2.194 2.073 2.295 . 0 0 "[ . 1 . 2 . 3 ]" 1
34 1 6 SER H 1 7 THR H . . 3.600 2.761 2.633 2.889 . 0 0 "[ . 1 . 2 . 3 ]" 1
35 1 6 SER H 1 8 GLN H . . 4.800 4.097 3.984 4.237 . 0 0 "[ . 1 . 2 . 3 ]" 1
36 1 6 SER HA 1 7 THR H . . 3.600 3.557 3.461 3.628 0.028 13 0 "[ . 1 . 2 . 3 ]" 1
37 1 6 SER HA 1 8 GLN H . . 4.400 4.429 4.343 4.475 0.075 14 0 "[ . 1 . 2 . 3 ]" 1
38 1 6 SER HA 1 9 ILE H . . 4.900 3.642 3.511 3.856 . 0 0 "[ . 1 . 2 . 3 ]" 1
39 1 6 SER HA 1 9 ILE HB . . 4.400 3.595 2.966 4.278 . 0 0 "[ . 1 . 2 . 3 ]" 1
40 1 7 THR H 1 7 THR HB . . 3.400 2.469 2.370 2.593 . 0 0 "[ . 1 . 2 . 3 ]" 1
41 1 7 THR H 1 8 GLN H . . 3.200 2.675 2.446 2.878 . 0 0 "[ . 1 . 2 . 3 ]" 1
42 1 7 THR H 1 9 ILE H . . 4.500 4.057 3.884 4.222 . 0 0 "[ . 1 . 2 . 3 ]" 1
43 1 7 THR H 1 10 LEU H . . 4.400 4.473 4.431 4.527 0.127 3 0 "[ . 1 . 2 . 3 ]" 1
44 1 7 THR H 1 64 ALA HA . . 6.400 6.346 5.032 6.570 0.170 14 0 "[ . 1 . 2 . 3 ]" 1
45 1 7 THR HA 1 8 GLN H . . 3.500 3.547 3.509 3.582 0.082 17 0 "[ . 1 . 2 . 3 ]" 1
46 1 7 THR HA 1 9 ILE H . . 3.900 3.972 3.904 4.038 0.138 18 0 "[ . 1 . 2 . 3 ]" 1
47 1 7 THR HA 1 10 LEU H . . 3.400 2.961 2.739 3.192 . 0 0 "[ . 1 . 2 . 3 ]" 1
48 1 7 THR HA 1 10 LEU HB2 . . 2.900 2.225 1.988 2.903 0.003 28 0 "[ . 1 . 2 . 3 ]" 1
49 1 7 THR HA 1 10 LEU HB3 . . 2.900 2.606 2.140 2.963 0.063 23 0 "[ . 1 . 2 . 3 ]" 1
50 1 7 THR HA 1 10 LEU QD . . 8.470 3.031 2.480 3.803 . 0 0 "[ . 1 . 2 . 3 ]" 1
51 1 7 THR HA 1 11 LYS H . . 3.900 3.578 3.243 3.907 0.007 7 0 "[ . 1 . 2 . 3 ]" 1
52 1 7 THR HB 1 8 GLN H . . 3.700 3.026 2.615 3.211 . 0 0 "[ . 1 . 2 . 3 ]" 1
53 1 7 THR HB 1 8 GLN HB2 . . 6.900 5.180 4.652 5.563 . 0 0 "[ . 1 . 2 . 3 ]" 1
54 1 7 THR HB 1 8 GLN HB3 . . 6.900 6.262 5.777 6.536 . 0 0 "[ . 1 . 2 . 3 ]" 1
55 1 7 THR MG 1 8 GLN H . . 5.500 3.746 3.554 3.954 . 0 0 "[ . 1 . 2 . 3 ]" 1
56 1 7 THR MG 1 9 ILE H . . 6.500 4.989 4.886 5.185 . 0 0 "[ . 1 . 2 . 3 ]" 1
57 1 7 THR MG 1 10 LEU H . . 6.900 4.497 4.263 4.695 . 0 0 "[ . 1 . 2 . 3 ]" 1
58 1 7 THR MG 1 11 LYS H . . 6.900 3.699 3.318 4.018 . 0 0 "[ . 1 . 2 . 3 ]" 1
59 1 8 GLN H 1 8 GLN HB2 . . 3.500 2.278 2.198 2.435 . 0 0 "[ . 1 . 2 . 3 ]" 1
60 1 8 GLN H 1 8 GLN HB3 . . 3.500 3.543 3.511 3.594 0.094 21 0 "[ . 1 . 2 . 3 ]" 1
61 1 8 GLN H 1 8 GLN HG2 . . 3.800 2.884 2.550 3.836 0.036 31 0 "[ . 1 . 2 . 3 ]" 1
62 1 8 GLN H 1 8 GLN QG . . 4.900 2.691 2.495 2.888 . 0 0 "[ . 1 . 2 . 3 ]" 1
63 1 8 GLN H 1 8 GLN HG3 . . 3.800 3.526 2.653 3.835 0.035 16 0 "[ . 1 . 2 . 3 ]" 1
64 1 8 GLN H 1 9 ILE H . . 3.200 2.551 2.469 2.687 . 0 0 "[ . 1 . 2 . 3 ]" 1
65 1 8 GLN HA 1 9 ILE HA . . 4.600 4.620 4.548 4.671 0.071 1 0 "[ . 1 . 2 . 3 ]" 1
66 1 8 GLN HA 1 11 LYS H . . 4.000 3.888 3.668 4.019 0.019 15 0 "[ . 1 . 2 . 3 ]" 1
67 1 8 GLN HA 1 11 LYS QB . . 4.600 3.440 2.853 4.148 . 0 0 "[ . 1 . 2 . 3 ]" 1
68 1 8 GLN HA 1 12 GLN H . . 4.500 4.383 4.120 4.559 0.059 13 0 "[ . 1 . 2 . 3 ]" 1
69 1 8 GLN QB 1 9 ILE HA . . 4.790 3.764 3.602 4.021 . 0 0 "[ . 1 . 2 . 3 ]" 1
70 1 8 GLN QB 1 9 ILE MG . . 6.360 4.663 4.283 4.825 . 0 0 "[ . 1 . 2 . 3 ]" 1
71 1 8 GLN QB 1 10 LEU H . . 5.880 4.537 4.377 4.664 . 0 0 "[ . 1 . 2 . 3 ]" 1
72 1 8 GLN HB2 1 9 ILE HA . . 5.300 4.504 4.303 4.776 . 0 0 "[ . 1 . 2 . 3 ]" 1
73 1 8 GLN HB2 1 9 ILE HB . . 6.900 4.520 3.737 5.642 . 0 0 "[ . 1 . 2 . 3 ]" 1
74 1 8 GLN HB2 1 9 ILE MD . . 6.900 4.952 3.982 5.671 . 0 0 "[ . 1 . 2 . 3 ]" 1
75 1 8 GLN HB2 1 9 ILE MG . . 6.900 5.126 4.533 5.525 . 0 0 "[ . 1 . 2 . 3 ]" 1
76 1 8 GLN HB3 1 9 ILE HA . . 5.300 4.039 3.857 4.334 . 0 0 "[ . 1 . 2 . 3 ]" 1
77 1 8 GLN HB3 1 9 ILE HB . . 6.900 5.034 4.222 5.910 . 0 0 "[ . 1 . 2 . 3 ]" 1
78 1 8 GLN HB3 1 9 ILE MD . . 6.900 5.412 4.657 5.823 . 0 0 "[ . 1 . 2 . 3 ]" 1
79 1 8 GLN HB3 1 9 ILE MG . . 6.900 5.401 5.198 5.663 . 0 0 "[ . 1 . 2 . 3 ]" 1
80 1 8 GLN QG 1 9 ILE H . . 5.880 4.287 4.154 4.452 . 0 0 "[ . 1 . 2 . 3 ]" 1
81 1 8 GLN HG2 1 9 ILE H . . 6.600 4.704 4.514 5.125 . 0 0 "[ . 1 . 2 . 3 ]" 1
82 1 8 GLN HG3 1 9 ILE H . . 6.600 4.965 4.544 5.342 . 0 0 "[ . 1 . 2 . 3 ]" 1
83 1 9 ILE H 1 9 ILE HB . . 3.200 2.510 2.257 2.863 . 0 0 "[ . 1 . 2 . 3 ]" 1
84 1 9 ILE H 1 9 ILE MD . . 5.500 3.876 3.076 4.448 . 0 0 "[ . 1 . 2 . 3 ]" 1
85 1 9 ILE H 1 10 LEU H . . 3.800 2.275 2.066 2.453 . 0 0 "[ . 1 . 2 . 3 ]" 1
86 1 9 ILE H 1 11 LYS H . . 4.100 4.149 4.094 4.210 0.110 27 0 "[ . 1 . 2 . 3 ]" 1
87 1 9 ILE H 1 12 GLN H . . 4.700 4.578 4.407 4.706 0.006 23 0 "[ . 1 . 2 . 3 ]" 1
88 1 9 ILE H 1 64 ALA MB . . 6.900 4.484 4.143 4.772 . 0 0 "[ . 1 . 2 . 3 ]" 1
89 1 9 ILE HA 1 9 ILE MD . . 4.800 3.780 3.599 4.005 . 0 0 "[ . 1 . 2 . 3 ]" 1
90 1 9 ILE HA 1 10 LEU HA . . 5.900 4.822 4.664 4.935 . 0 0 "[ . 1 . 2 . 3 ]" 1
91 1 9 ILE HA 1 10 LEU QD . . 8.470 5.689 5.444 5.936 . 0 0 "[ . 1 . 2 . 3 ]" 1
92 1 9 ILE HA 1 11 LYS H . . 6.900 4.543 4.390 4.744 . 0 0 "[ . 1 . 2 . 3 ]" 1
93 1 9 ILE HA 1 12 GLN H . . 4.300 3.244 3.001 3.501 . 0 0 "[ . 1 . 2 . 3 ]" 1
94 1 9 ILE HA 1 12 GLN QB . . 4.600 2.270 2.021 2.662 . 0 0 "[ . 1 . 2 . 3 ]" 1
95 1 9 ILE HA 1 13 VAL H . . 4.700 4.259 3.950 4.721 0.021 11 0 "[ . 1 . 2 . 3 ]" 1
96 1 9 ILE HB 1 10 LEU H . . 3.600 3.233 2.631 3.730 0.130 28 0 "[ . 1 . 2 . 3 ]" 1
97 1 9 ILE HB 1 10 LEU HB2 . . 6.900 4.917 3.931 5.826 . 0 0 "[ . 1 . 2 . 3 ]" 1
98 1 9 ILE HB 1 10 LEU HB3 . . 6.900 6.101 5.061 6.923 0.023 14 0 "[ . 1 . 2 . 3 ]" 1
99 1 9 ILE MD 1 10 LEU H . . 6.000 4.656 4.057 5.025 . 0 0 "[ . 1 . 2 . 3 ]" 1
100 1 9 ILE MD 1 55 SER H . . 6.000 3.331 2.494 4.517 . 0 0 "[ . 1 . 2 . 3 ]" 1
101 1 9 ILE MD 1 61 ILE H . . 5.300 4.258 3.854 4.494 . 0 0 "[ . 1 . 2 . 3 ]" 1
102 1 9 ILE MD 1 61 ILE HA . . 4.300 3.118 2.825 3.587 . 0 0 "[ . 1 . 2 . 3 ]" 1
103 1 9 ILE MD 1 64 ALA H . . 6.600 4.718 3.769 5.365 . 0 0 "[ . 1 . 2 . 3 ]" 1
104 1 9 ILE MD 1 64 ALA MB . . 5.500 3.042 2.438 3.527 . 0 0 "[ . 1 . 2 . 3 ]" 1
105 1 9 ILE MG 1 64 ALA H . . 6.200 4.255 3.954 5.130 . 0 0 "[ . 1 . 2 . 3 ]" 1
106 1 10 LEU H 1 10 LEU HB2 . . 3.200 2.146 1.964 2.407 . 0 0 "[ . 1 . 2 . 3 ]" 1
107 1 10 LEU H 1 10 LEU HB3 . . 3.200 2.977 2.609 3.241 0.041 23 0 "[ . 1 . 2 . 3 ]" 1
108 1 10 LEU H 1 11 LYS H . . 3.200 2.772 2.604 2.917 . 0 0 "[ . 1 . 2 . 3 ]" 1
109 1 10 LEU H 1 12 GLN H . . 3.900 3.847 3.620 3.959 0.059 20 0 "[ . 1 . 2 . 3 ]" 1
110 1 10 LEU H 1 64 ALA MB . . 6.100 3.567 2.959 3.860 . 0 0 "[ . 1 . 2 . 3 ]" 1
111 1 10 LEU HA 1 11 LYS HA . . 4.800 4.786 4.688 4.863 0.063 20 0 "[ . 1 . 2 . 3 ]" 1
112 1 10 LEU HA 1 11 LYS QD . . 6.900 5.685 4.648 6.290 . 0 0 "[ . 1 . 2 . 3 ]" 1
113 1 10 LEU HA 1 12 GLN H . . 4.400 4.184 3.852 4.449 0.049 26 0 "[ . 1 . 2 . 3 ]" 1
114 1 10 LEU HA 1 13 VAL H . . 4.100 3.279 2.858 3.642 . 0 0 "[ . 1 . 2 . 3 ]" 1
115 1 10 LEU HA 1 13 VAL HB . . 3.800 2.764 2.260 3.599 . 0 0 "[ . 1 . 2 . 3 ]" 1
116 1 10 LEU HA 1 13 VAL QG . . 7.060 2.989 2.224 3.402 . 0 0 "[ . 1 . 2 . 3 ]" 1
117 1 10 LEU HA 1 14 GLU H . . 4.500 4.200 3.787 4.516 0.016 7 0 "[ . 1 . 2 . 3 ]" 1
118 1 10 LEU QB 1 11 LYS H . . 3.350 2.417 2.243 2.840 . 0 0 "[ . 1 . 2 . 3 ]" 1
119 1 10 LEU QB 1 11 LYS QB . . 6.880 4.050 3.671 4.633 . 0 0 "[ . 1 . 2 . 3 ]" 1
120 1 10 LEU QB 1 11 LYS QE . . 7.780 4.960 2.705 5.991 . 0 0 "[ . 1 . 2 . 3 ]" 1
121 1 10 LEU QB 1 11 LYS QG . . 7.780 4.090 2.672 5.014 . 0 0 "[ . 1 . 2 . 3 ]" 1
122 1 10 LEU QB 1 65 LEU HA . . 7.580 6.381 4.909 6.790 . 0 0 "[ . 1 . 2 . 3 ]" 1
123 1 10 LEU HB2 1 11 LYS H . . 3.700 3.353 2.983 3.769 0.069 31 0 "[ . 1 . 2 . 3 ]" 1
124 1 10 LEU HB3 1 11 LYS H . . 3.700 2.488 2.310 3.127 . 0 0 "[ . 1 . 2 . 3 ]" 1
125 1 10 LEU QD 1 11 LYS H . . 8.170 3.655 3.222 4.172 . 0 0 "[ . 1 . 2 . 3 ]" 1
126 1 10 LEU QD 1 64 ALA MB . . 6.870 3.016 2.110 3.936 . 0 0 "[ . 1 . 2 . 3 ]" 1
127 1 10 LEU HG 1 64 ALA MB . . 4.700 3.502 2.170 3.997 . 0 0 "[ . 1 . 2 . 3 ]" 1
128 1 11 LYS H 1 11 LYS QD . . 6.000 2.949 2.227 3.717 . 0 0 "[ . 1 . 2 . 3 ]" 1
129 1 11 LYS H 1 11 LYS QE . . 6.900 4.510 3.264 5.170 . 0 0 "[ . 1 . 2 . 3 ]" 1
130 1 11 LYS H 1 12 GLN H . . 3.400 2.584 2.443 2.748 . 0 0 "[ . 1 . 2 . 3 ]" 1
131 1 11 LYS H 1 13 VAL H . . 5.000 4.077 3.934 4.278 . 0 0 "[ . 1 . 2 . 3 ]" 1
132 1 11 LYS H 1 14 GLU H . . 5.100 4.926 4.810 5.145 0.045 7 0 "[ . 1 . 2 . 3 ]" 1
133 1 11 LYS HA 1 11 LYS QE . . 5.500 4.190 2.446 4.899 . 0 0 "[ . 1 . 2 . 3 ]" 1
134 1 11 LYS HA 1 12 GLN QB . . 6.000 5.282 5.126 5.399 . 0 0 "[ . 1 . 2 . 3 ]" 1
135 1 11 LYS HA 1 12 GLN QG . . 7.780 6.074 4.992 6.692 . 0 0 "[ . 1 . 2 . 3 ]" 1
136 1 11 LYS HA 1 13 VAL H . . 5.700 4.115 3.805 4.520 . 0 0 "[ . 1 . 2 . 3 ]" 1
137 1 11 LYS HA 1 14 GLU H . . 4.900 3.471 3.183 3.797 . 0 0 "[ . 1 . 2 . 3 ]" 1
138 1 11 LYS HA 1 14 GLU QB . . 4.080 3.298 2.593 3.776 . 0 0 "[ . 1 . 2 . 3 ]" 1
139 1 11 LYS HA 1 15 TYR H . . 4.600 4.037 3.781 4.292 . 0 0 "[ . 1 . 2 . 3 ]" 1
140 1 11 LYS QB 1 12 GLN H . . 4.700 2.969 2.483 3.687 . 0 0 "[ . 1 . 2 . 3 ]" 1
141 1 11 LYS QB 1 12 GLN QB . . 6.900 4.358 3.680 5.292 . 0 0 "[ . 1 . 2 . 3 ]" 1
142 1 12 GLN H 1 12 GLN QG . . 4.680 3.568 2.543 4.151 . 0 0 "[ . 1 . 2 . 3 ]" 1
143 1 12 GLN H 1 13 VAL H . . 3.500 2.632 2.381 2.897 . 0 0 "[ . 1 . 2 . 3 ]" 1
144 1 12 GLN H 1 14 GLU H . . 4.700 4.291 4.039 4.505 . 0 0 "[ . 1 . 2 . 3 ]" 1
145 1 12 GLN H 1 69 THR MG . . 6.800 5.723 5.651 5.803 . 0 0 "[ . 1 . 2 . 3 ]" 1
146 1 12 GLN HA 1 13 VAL HA . . 5.800 4.775 4.688 4.876 . 0 0 "[ . 1 . 2 . 3 ]" 1
147 1 12 GLN HA 1 13 VAL HB . . 5.600 5.646 5.570 5.711 0.111 11 0 "[ . 1 . 2 . 3 ]" 1
148 1 12 GLN HA 1 15 TYR QB . . 3.600 2.092 1.945 2.571 . 0 0 "[ . 1 . 2 . 3 ]" 1
149 1 12 GLN HA 1 16 TYR H . . 4.800 4.365 3.961 4.814 0.014 31 0 "[ . 1 . 2 . 3 ]" 1
150 1 12 GLN QB 1 13 VAL HA . . 6.900 4.068 3.745 4.280 . 0 0 "[ . 1 . 2 . 3 ]" 1
151 1 12 GLN QB 1 13 VAL HB . . 6.900 4.700 4.001 5.242 . 0 0 "[ . 1 . 2 . 3 ]" 1
152 1 12 GLN HG2 1 54 ILE MG . . 6.900 4.179 2.558 5.760 . 0 0 "[ . 1 . 2 . 3 ]" 1
153 1 12 GLN HG3 1 54 ILE MG . . 6.900 4.657 3.012 5.742 . 0 0 "[ . 1 . 2 . 3 ]" 1
154 1 13 VAL H 1 13 VAL HB . . 3.100 2.215 2.089 2.449 . 0 0 "[ . 1 . 2 . 3 ]" 1
155 1 13 VAL H 1 14 GLU H . . 3.600 2.507 2.346 2.716 . 0 0 "[ . 1 . 2 . 3 ]" 1
156 1 13 VAL H 1 15 TYR H . . 4.500 3.753 3.576 3.938 . 0 0 "[ . 1 . 2 . 3 ]" 1
157 1 13 VAL H 1 51 MET ME . . 5.500 3.512 2.758 4.595 . 0 0 "[ . 1 . 2 . 3 ]" 1
158 1 13 VAL H 1 69 THR MG . . 6.300 5.299 5.044 5.409 . 0 0 "[ . 1 . 2 . 3 ]" 1
159 1 13 VAL HA 1 14 GLU HA . . 4.700 4.712 4.613 4.779 0.079 13 0 "[ . 1 . 2 . 3 ]" 1
160 1 13 VAL HA 1 15 TYR H . . 4.900 4.272 4.064 4.465 . 0 0 "[ . 1 . 2 . 3 ]" 1
161 1 13 VAL HA 1 16 TYR H . . 3.800 3.665 3.359 3.840 0.040 30 0 "[ . 1 . 2 . 3 ]" 1
162 1 13 VAL HA 1 16 TYR QB . . 5.000 3.509 2.935 4.253 . 0 0 "[ . 1 . 2 . 3 ]" 1
163 1 13 VAL HA 1 16 TYR QD . . 6.900 2.895 2.128 3.664 . 0 0 "[ . 1 . 2 . 3 ]" 1
164 1 13 VAL HA 1 71 LEU QD . . 6.570 4.393 3.886 4.817 . 0 0 "[ . 1 . 2 . 3 ]" 1
165 1 13 VAL HB 1 14 GLU H . . 3.700 2.693 2.382 3.653 . 0 0 "[ . 1 . 2 . 3 ]" 1
166 1 13 VAL HB 1 14 GLU HB2 . . 6.900 5.251 3.816 6.910 0.010 9 0 "[ . 1 . 2 . 3 ]" 1
167 1 13 VAL HB 1 14 GLU QB . . 6.310 4.274 3.677 5.369 . 0 0 "[ . 1 . 2 . 3 ]" 1
168 1 13 VAL HB 1 14 GLU HB3 . . 6.900 4.821 3.976 6.902 0.002 14 0 "[ . 1 . 2 . 3 ]" 1
169 1 13 VAL HB 1 14 GLU QG . . 6.900 5.235 3.445 6.168 . 0 0 "[ . 1 . 2 . 3 ]" 1
170 1 13 VAL QG 1 71 LEU H . . 8.160 5.095 4.151 5.945 . 0 0 "[ . 1 . 2 . 3 ]" 1
171 1 14 GLU H 1 14 GLU QB . . 3.680 2.264 2.063 2.478 . 0 0 "[ . 1 . 2 . 3 ]" 1
172 1 14 GLU H 1 15 TYR H . . 3.600 2.707 2.573 2.815 . 0 0 "[ . 1 . 2 . 3 ]" 1
173 1 14 GLU H 1 16 TYR H . . 5.300 4.492 4.311 4.635 . 0 0 "[ . 1 . 2 . 3 ]" 1
174 1 14 GLU H 1 65 LEU QD . . 8.470 5.932 5.581 6.299 . 0 0 "[ . 1 . 2 . 3 ]" 1
175 1 14 GLU H 1 69 THR MG . . 5.600 4.060 3.592 4.691 . 0 0 "[ . 1 . 2 . 3 ]" 1
176 1 14 GLU H 1 71 LEU QD . . 8.470 3.631 2.905 4.131 . 0 0 "[ . 1 . 2 . 3 ]" 1
177 1 14 GLU H 1 71 LEU HG . . 6.900 5.079 4.441 6.939 0.039 12 0 "[ . 1 . 2 . 3 ]" 1
178 1 14 GLU HA 1 15 TYR H . . 3.520 3.552 3.502 3.576 0.056 30 0 "[ . 1 . 2 . 3 ]" 1
179 1 14 GLU HA 1 15 TYR QB . . 5.800 5.121 5.027 5.195 . 0 0 "[ . 1 . 2 . 3 ]" 1
180 1 14 GLU HA 1 16 TYR H . . 4.400 4.318 4.139 4.450 0.050 12 0 "[ . 1 . 2 . 3 ]" 1
181 1 14 GLU HA 1 17 PHE H . . 4.400 3.463 3.105 3.857 . 0 0 "[ . 1 . 2 . 3 ]" 1
182 1 14 GLU HA 1 71 LEU QD . . 7.770 2.310 2.045 2.700 . 0 0 "[ . 1 . 2 . 3 ]" 1
183 1 14 GLU QB 1 15 TYR H . . 4.310 3.257 2.603 3.752 . 0 0 "[ . 1 . 2 . 3 ]" 1
184 1 14 GLU QB 1 71 LEU QD . . 8.750 2.829 1.946 3.596 . 0 0 "[ . 1 . 2 . 3 ]" 1
185 1 14 GLU HB2 1 15 TYR H . . 5.000 4.032 2.897 4.410 . 0 0 "[ . 1 . 2 . 3 ]" 1
186 1 14 GLU HB3 1 15 TYR H . . 5.000 3.522 2.646 4.102 . 0 0 "[ . 1 . 2 . 3 ]" 1
187 1 14 GLU QG 1 15 TYR H . . 6.900 3.284 2.081 4.704 . 0 0 "[ . 1 . 2 . 3 ]" 1
188 1 14 GLU QG 1 16 TYR H . . 6.900 5.246 4.475 6.149 . 0 0 "[ . 1 . 2 . 3 ]" 1
189 1 15 TYR H 1 15 TYR QB . . 3.800 2.008 1.952 2.054 . 0 0 "[ . 1 . 2 . 3 ]" 1
190 1 15 TYR H 1 15 TYR QE . . 6.400 5.829 5.752 5.894 . 0 0 "[ . 1 . 2 . 3 ]" 1
191 1 15 TYR H 1 16 TYR H . . 3.500 2.834 2.760 2.910 . 0 0 "[ . 1 . 2 . 3 ]" 1
192 1 15 TYR H 1 17 PHE H . . 4.900 4.209 4.046 4.385 . 0 0 "[ . 1 . 2 . 3 ]" 1
193 1 15 TYR H 1 71 LEU QD . . 8.470 4.906 4.579 5.201 . 0 0 "[ . 1 . 2 . 3 ]" 1
194 1 15 TYR HA 1 16 TYR H . . 3.600 3.614 3.581 3.635 0.035 24 0 "[ . 1 . 2 . 3 ]" 1
195 1 15 TYR HA 1 16 TYR HA . . 4.900 4.797 4.732 4.904 0.004 30 0 "[ . 1 . 2 . 3 ]" 1
196 1 15 TYR HA 1 18 SER QB . . 5.480 2.151 1.950 2.467 . 0 0 "[ . 1 . 2 . 3 ]" 1
197 1 15 TYR QB 1 16 TYR QB . . 6.900 4.757 4.550 5.116 . 0 0 "[ . 1 . 2 . 3 ]" 1
198 1 15 TYR QB 1 50 ARG QD . . 6.900 5.421 5.126 5.529 . 0 0 "[ . 1 . 2 . 3 ]" 1
199 1 15 TYR QE 1 16 TYR QE . . 4.000 3.268 2.501 3.666 . 0 0 "[ . 1 . 2 . 3 ]" 1
200 1 16 TYR H 1 16 TYR HB2 . . 3.700 2.343 2.163 2.609 . 0 0 "[ . 1 . 2 . 3 ]" 1
201 1 16 TYR H 1 16 TYR QB . . 3.490 2.312 2.143 2.554 . 0 0 "[ . 1 . 2 . 3 ]" 1
202 1 16 TYR H 1 16 TYR HB3 . . 3.700 3.569 3.477 3.645 . 0 0 "[ . 1 . 2 . 3 ]" 1
203 1 16 TYR H 1 16 TYR QE . . 5.900 4.864 4.014 5.265 . 0 0 "[ . 1 . 2 . 3 ]" 1
204 1 16 TYR H 1 17 PHE H . . 3.700 2.792 2.653 2.930 . 0 0 "[ . 1 . 2 . 3 ]" 1
205 1 16 TYR HA 1 17 PHE HA . . 4.600 4.612 4.498 4.650 0.050 8 0 "[ . 1 . 2 . 3 ]" 1
206 1 16 TYR HA 1 21 ASN QB . . 6.900 3.169 2.718 4.694 . 0 0 "[ . 1 . 2 . 3 ]" 1
207 1 16 TYR HA 1 28 LEU MD1 . . 6.000 4.047 3.781 4.616 . 0 0 "[ . 1 . 2 . 3 ]" 1
208 1 16 TYR HA 1 28 LEU QD . . 5.490 3.859 3.645 4.107 . 0 0 "[ . 1 . 2 . 3 ]" 1
209 1 16 TYR HA 1 28 LEU MD2 . . 6.000 4.924 4.384 5.069 . 0 0 "[ . 1 . 2 . 3 ]" 1
210 1 16 TYR QB 1 17 PHE H . . 3.560 2.988 2.771 3.212 . 0 0 "[ . 1 . 2 . 3 ]" 1
211 1 16 TYR QB 1 28 LEU QD . . 8.470 2.323 2.039 2.568 . 0 0 "[ . 1 . 2 . 3 ]" 1
212 1 16 TYR QB 1 45 ILE MG . . 6.900 4.956 4.533 5.164 . 0 0 "[ . 1 . 2 . 3 ]" 1
213 1 16 TYR QB 1 48 PHE QB . . 6.900 5.504 5.382 5.556 . 0 0 "[ . 1 . 2 . 3 ]" 1
214 1 16 TYR QB 1 48 PHE QD . . 7.800 4.400 4.156 4.699 . 0 0 "[ . 1 . 2 . 3 ]" 1
215 1 16 TYR HB2 1 17 PHE H . . 4.000 3.154 2.853 3.463 . 0 0 "[ . 1 . 2 . 3 ]" 1
216 1 16 TYR HB2 1 48 PHE QE . . 6.500 3.246 2.794 4.432 . 0 0 "[ . 1 . 2 . 3 ]" 1
217 1 16 TYR HB3 1 17 PHE H . . 4.000 3.725 3.379 3.981 . 0 0 "[ . 1 . 2 . 3 ]" 1
218 1 16 TYR HB3 1 48 PHE QE . . 6.500 3.245 2.705 3.836 . 0 0 "[ . 1 . 2 . 3 ]" 1
219 1 16 TYR HD1 1 48 PHE QE . . 6.500 3.655 3.076 5.163 . 0 0 "[ . 1 . 2 . 3 ]" 1
220 1 16 TYR QE 1 48 PHE QB . . 7.380 3.219 2.227 4.352 . 0 0 "[ . 1 . 2 . 3 ]" 1
221 1 16 TYR QE 1 48 PHE QE . . 6.500 3.264 2.758 4.347 . 0 0 "[ . 1 . 2 . 3 ]" 1
222 1 17 PHE H 1 17 PHE QE . . 6.800 4.548 4.139 6.121 . 0 0 "[ . 1 . 2 . 3 ]" 1
223 1 17 PHE H 1 28 LEU MD1 . . 6.900 5.248 4.959 5.782 . 0 0 "[ . 1 . 2 . 3 ]" 1
224 1 17 PHE H 1 28 LEU MD2 . . 6.900 4.901 4.194 5.542 . 0 0 "[ . 1 . 2 . 3 ]" 1
225 1 17 PHE HA 1 18 SER HA . . 4.800 4.713 4.606 4.843 0.043 20 0 "[ . 1 . 2 . 3 ]" 1
226 1 17 PHE HA 1 18 SER QB . . 5.680 5.042 4.833 5.183 . 0 0 "[ . 1 . 2 . 3 ]" 1
227 1 17 PHE HA 1 22 PHE HA . . 5.200 4.562 4.054 4.981 . 0 0 "[ . 1 . 2 . 3 ]" 1
228 1 17 PHE QB 1 18 SER HA . . 6.200 4.031 3.742 4.279 . 0 0 "[ . 1 . 2 . 3 ]" 1
229 1 17 PHE QB 1 18 SER QB . . 7.780 3.789 3.430 4.159 . 0 0 "[ . 1 . 2 . 3 ]" 1
230 1 17 PHE QB 1 82 ARG QD . . 6.900 3.626 2.347 4.698 . 0 0 "[ . 1 . 2 . 3 ]" 1
231 1 17 PHE HD1 1 48 PHE QE . . 6.400 5.540 3.755 7.179 0.779 27 4 "[ *.- 1 *. 2 . + 3 ]" 1
232 1 17 PHE QE 1 82 ARG H . . 6.800 5.560 3.463 6.117 . 0 0 "[ . 1 . 2 . 3 ]" 1
233 1 18 SER H 1 19 ASP H . . 4.100 2.371 2.044 2.786 . 0 0 "[ . 1 . 2 . 3 ]" 1
234 1 18 SER HA 1 19 ASP QB . . 6.900 4.973 4.816 5.397 . 0 0 "[ . 1 . 2 . 3 ]" 1
235 1 18 SER QB 1 19 ASP HA . . 5.080 4.318 3.902 4.544 . 0 0 "[ . 1 . 2 . 3 ]" 1
236 1 18 SER HB2 1 19 ASP H . . 4.400 4.051 3.531 4.326 . 0 0 "[ . 1 . 2 . 3 ]" 1
237 1 18 SER HB3 1 19 ASP H . . 4.400 3.032 2.680 3.499 . 0 0 "[ . 1 . 2 . 3 ]" 1
238 1 19 ASP H 1 22 PHE H . . 5.000 4.980 4.737 5.075 0.075 30 0 "[ . 1 . 2 . 3 ]" 1
239 1 19 ASP HA 1 20 SER H . . 3.100 3.100 2.907 3.181 0.081 17 0 "[ . 1 . 2 . 3 ]" 1
240 1 19 ASP HA 1 20 SER QB . . 5.000 4.306 4.012 4.506 . 0 0 "[ . 1 . 2 . 3 ]" 1
241 1 19 ASP HA 1 87 PRO QG . . 6.900 5.243 4.223 5.695 . 0 0 "[ . 1 . 2 . 3 ]" 1
242 1 19 ASP QB 1 20 SER HA . . 6.800 4.991 4.826 5.539 . 0 0 "[ . 1 . 2 . 3 ]" 1
243 1 19 ASP QB 1 20 SER QB . . 6.900 4.945 4.806 5.324 . 0 0 "[ . 1 . 2 . 3 ]" 1
244 1 19 ASP QB 1 87 PRO QG . . 7.100 5.689 5.368 5.788 . 0 0 "[ . 1 . 2 . 3 ]" 1
245 1 20 SER H 1 21 ASN H . . 4.500 2.931 2.773 3.107 . 0 0 "[ . 1 . 2 . 3 ]" 1
246 1 20 SER HA 1 21 ASN H . . 3.400 2.966 2.869 3.084 . 0 0 "[ . 1 . 2 . 3 ]" 1
247 1 20 SER HA 1 21 ASN HA . . 5.500 4.585 4.524 4.674 . 0 0 "[ . 1 . 2 . 3 ]" 1
248 1 20 SER HA 1 21 ASN QB . . 6.600 4.875 4.728 5.150 . 0 0 "[ . 1 . 2 . 3 ]" 1
249 1 20 SER HA 1 22 PHE H . . 4.000 3.469 2.877 3.950 . 0 0 "[ . 1 . 2 . 3 ]" 1
250 1 20 SER QB 1 21 ASN HA . . 6.900 4.388 4.170 4.779 . 0 0 "[ . 1 . 2 . 3 ]" 1
251 1 21 ASN H 1 22 PHE H . . 3.500 2.501 2.401 2.665 . 0 0 "[ . 1 . 2 . 3 ]" 1
252 1 21 ASN HA 1 23 PRO QD . . 6.900 3.473 3.017 3.981 . 0 0 "[ . 1 . 2 . 3 ]" 1
253 1 21 ASN HA 1 23 PRO QG . . 6.900 4.366 4.161 4.625 . 0 0 "[ . 1 . 2 . 3 ]" 1
254 1 21 ASN HA 1 24 ARG H . . 4.300 3.267 3.030 3.563 . 0 0 "[ . 1 . 2 . 3 ]" 1
255 1 21 ASN HA 1 24 ARG QB . . 4.780 2.465 2.171 3.390 . 0 0 "[ . 1 . 2 . 3 ]" 1
256 1 21 ASN QB 1 22 PHE QB . . 7.780 4.527 4.268 5.179 . 0 0 "[ . 1 . 2 . 3 ]" 1
257 1 21 ASN QB 1 25 ASP QB . . 7.780 3.859 3.162 4.495 . 0 0 "[ . 1 . 2 . 3 ]" 1
258 1 22 PHE H 1 22 PHE HB2 . . 3.300 2.992 2.033 3.273 . 0 0 "[ . 1 . 2 . 3 ]" 1
259 1 22 PHE H 1 22 PHE HB3 . . 3.300 2.150 1.989 3.199 . 0 0 "[ . 1 . 2 . 3 ]" 1
260 1 22 PHE H 1 22 PHE QE . . 6.300 5.731 5.659 5.811 . 0 0 "[ . 1 . 2 . 3 ]" 1
261 1 22 PHE H 1 25 ASP QB . . 5.880 4.954 4.533 5.276 . 0 0 "[ . 1 . 2 . 3 ]" 1
262 1 22 PHE H 1 28 LEU QD . . 5.970 3.478 3.174 3.703 . 0 0 "[ . 1 . 2 . 3 ]" 1
263 1 22 PHE HA 1 24 ARG H . . 4.400 4.078 3.864 4.251 . 0 0 "[ . 1 . 2 . 3 ]" 1
264 1 22 PHE HA 1 25 ASP H . . 4.000 3.570 3.339 3.783 . 0 0 "[ . 1 . 2 . 3 ]" 1
265 1 22 PHE HA 1 25 ASP QB . . 4.280 3.245 2.816 3.646 . 0 0 "[ . 1 . 2 . 3 ]" 1
266 1 22 PHE HA 1 28 LEU MD1 . . 6.900 2.022 1.869 2.605 . 0 0 "[ . 1 . 2 . 3 ]" 1
267 1 22 PHE HA 1 28 LEU QD . . 6.370 1.977 1.864 2.230 . 0 0 "[ . 1 . 2 . 3 ]" 1
268 1 22 PHE HA 1 28 LEU MD2 . . 6.900 3.111 2.171 4.172 . 0 0 "[ . 1 . 2 . 3 ]" 1
269 1 22 PHE QB 1 23 PRO HA . . 5.220 4.638 3.891 4.738 . 0 0 "[ . 1 . 2 . 3 ]" 1
270 1 22 PHE QB 1 28 LEU QD . . 6.950 2.402 2.048 3.617 . 0 0 "[ . 1 . 2 . 3 ]" 1
271 1 22 PHE QB 1 82 ARG QG . . 7.780 5.460 4.584 6.210 . 0 0 "[ . 1 . 2 . 3 ]" 1
272 1 22 PHE HB2 1 28 LEU MD1 . . 8.650 3.192 2.542 4.115 . 0 0 "[ . 1 . 2 . 3 ]" 1
273 1 22 PHE HB2 1 28 LEU MD2 . . 8.650 2.676 2.082 5.501 . 0 0 "[ . 1 . 2 . 3 ]" 1
274 1 22 PHE HB3 1 28 LEU MD1 . . 8.650 4.068 3.414 4.903 . 0 0 "[ . 1 . 2 . 3 ]" 1
275 1 22 PHE HB3 1 28 LEU MD2 . . 8.650 4.063 3.464 6.055 . 0 0 "[ . 1 . 2 . 3 ]" 1
276 1 22 PHE QE 1 29 ARG H . . 6.900 4.605 3.949 5.239 . 0 0 "[ . 1 . 2 . 3 ]" 1
277 1 22 PHE QE 1 32 ALA H . . 6.900 4.558 3.120 5.395 . 0 0 "[ . 1 . 2 . 3 ]" 1
278 1 22 PHE QE 1 33 ALA H . . 6.900 4.933 4.512 5.396 . 0 0 "[ . 1 . 2 . 3 ]" 1
279 1 23 PRO HA 1 24 ARG HA . . 5.400 4.750 4.623 4.836 . 0 0 "[ . 1 . 2 . 3 ]" 1
280 1 23 PRO HA 1 24 ARG QB . . 5.680 5.078 5.003 5.138 . 0 0 "[ . 1 . 2 . 3 ]" 1
281 1 23 PRO QB 1 24 ARG QB . . 7.780 4.316 4.136 4.596 . 0 0 "[ . 1 . 2 . 3 ]" 1
282 1 23 PRO QB 1 24 ARG QG . . 6.900 5.442 5.005 5.518 . 0 0 "[ . 1 . 2 . 3 ]" 1
283 1 24 ARG H 1 24 ARG HB2 . . 3.900 2.481 2.181 3.671 . 0 0 "[ . 1 . 2 . 3 ]" 1
284 1 24 ARG H 1 24 ARG QB . . 3.650 2.208 2.102 2.450 . 0 0 "[ . 1 . 2 . 3 ]" 1
285 1 24 ARG H 1 24 ARG HB3 . . 3.900 2.530 2.417 2.775 . 0 0 "[ . 1 . 2 . 3 ]" 1
286 1 24 ARG H 1 25 ASP H . . 3.200 2.373 2.172 2.510 . 0 0 "[ . 1 . 2 . 3 ]" 1
287 1 24 ARG HA 1 26 LYS H . . 5.100 5.110 4.857 5.179 0.079 25 0 "[ . 1 . 2 . 3 ]" 1
288 1 24 ARG QB 1 25 ASP HA . . 7.280 4.201 3.788 4.695 . 0 0 "[ . 1 . 2 . 3 ]" 1
289 1 24 ARG QB 1 25 ASP QB . . 7.730 3.958 3.379 5.176 . 0 0 "[ . 1 . 2 . 3 ]" 1
290 1 24 ARG HB2 1 25 ASP HB2 . . 8.650 5.695 5.250 6.359 . 0 0 "[ . 1 . 2 . 3 ]" 1
291 1 24 ARG HB2 1 25 ASP HB3 . . 8.650 6.810 6.024 7.379 . 0 0 "[ . 1 . 2 . 3 ]" 1
292 1 24 ARG HB3 1 25 ASP HB2 . . 8.650 4.237 3.535 6.026 . 0 0 "[ . 1 . 2 . 3 ]" 1
293 1 24 ARG HB3 1 25 ASP HB3 . . 8.650 5.370 4.533 7.101 . 0 0 "[ . 1 . 2 . 3 ]" 1
294 1 25 ASP H 1 25 ASP QB . . 3.860 2.262 2.097 2.521 . 0 0 "[ . 1 . 2 . 3 ]" 1
295 1 25 ASP H 1 26 LYS H . . 4.800 4.154 4.002 4.261 . 0 0 "[ . 1 . 2 . 3 ]" 1
296 1 25 ASP H 1 29 ARG QD . . 6.700 5.045 3.355 6.000 . 0 0 "[ . 1 . 2 . 3 ]" 1
297 1 25 ASP HA 1 26 LYS H . . 3.200 2.143 2.027 2.245 . 0 0 "[ . 1 . 2 . 3 ]" 1
298 1 25 ASP HA 1 26 LYS HA . . 6.800 4.458 4.394 4.523 . 0 0 "[ . 1 . 2 . 3 ]" 1
299 1 25 ASP HA 1 26 LYS QB . . 6.800 4.384 4.005 4.631 . 0 0 "[ . 1 . 2 . 3 ]" 1
300 1 25 ASP HA 1 27 PHE H . . 6.100 3.504 3.280 3.678 . 0 0 "[ . 1 . 2 . 3 ]" 1
301 1 25 ASP HA 1 28 LEU H . . 5.200 4.504 4.343 4.677 . 0 0 "[ . 1 . 2 . 3 ]" 1
302 1 25 ASP QB 1 26 LYS HA . . 6.280 4.779 4.568 5.150 . 0 0 "[ . 1 . 2 . 3 ]" 1
303 1 25 ASP QB 1 26 LYS QD . . 7.780 5.299 3.794 6.206 . 0 0 "[ . 1 . 2 . 3 ]" 1
304 1 25 ASP QB 1 26 LYS QG . . 7.780 5.313 4.500 6.206 . 0 0 "[ . 1 . 2 . 3 ]" 1
305 1 25 ASP QB 1 29 ARG H . . 5.580 3.884 3.504 4.254 . 0 0 "[ . 1 . 2 . 3 ]" 1
306 1 26 LYS H 1 26 LYS QE . . 6.900 4.300 2.752 5.885 . 0 0 "[ . 1 . 2 . 3 ]" 1
307 1 26 LYS H 1 27 PHE H . . 3.000 2.891 2.814 2.988 . 0 0 "[ . 1 . 2 . 3 ]" 1
308 1 26 LYS H 1 28 LEU H . . 4.600 4.654 4.626 4.677 0.077 6 0 "[ . 1 . 2 . 3 ]" 1
309 1 26 LYS HA 1 26 LYS QD . . 5.000 3.616 2.206 4.367 . 0 0 "[ . 1 . 2 . 3 ]" 1
310 1 26 LYS HA 1 27 PHE HA . . 5.700 4.897 4.789 4.958 . 0 0 "[ . 1 . 2 . 3 ]" 1
311 1 26 LYS HA 1 27 PHE HB2 . . 5.700 5.710 5.628 5.744 0.044 14 0 "[ . 1 . 2 . 3 ]" 1
312 1 26 LYS HA 1 27 PHE HB3 . . 5.700 5.610 5.418 5.741 0.041 26 0 "[ . 1 . 2 . 3 ]" 1
313 1 26 LYS HA 1 29 ARG QB . . 3.900 2.225 1.999 3.675 . 0 0 "[ . 1 . 2 . 3 ]" 1
314 1 26 LYS HA 1 30 SER H . . 5.100 3.776 3.397 3.983 . 0 0 "[ . 1 . 2 . 3 ]" 1
315 1 26 LYS QB 1 27 PHE H . . 4.800 3.461 2.927 3.933 . 0 0 "[ . 1 . 2 . 3 ]" 1
316 1 26 LYS QB 1 27 PHE HA . . 6.600 4.519 3.991 4.903 . 0 0 "[ . 1 . 2 . 3 ]" 1
317 1 26 LYS QB 1 27 PHE HB2 . . 6.900 5.075 4.404 5.743 . 0 0 "[ . 1 . 2 . 3 ]" 1
318 1 26 LYS QB 1 27 PHE HB3 . . 6.900 5.615 5.062 6.034 . 0 0 "[ . 1 . 2 . 3 ]" 1
319 1 27 PHE H 1 27 PHE HB2 . . 3.500 2.346 2.237 2.427 . 0 0 "[ . 1 . 2 . 3 ]" 1
320 1 27 PHE H 1 27 PHE QB . . 3.240 2.140 2.109 2.167 . 0 0 "[ . 1 . 2 . 3 ]" 1
321 1 27 PHE H 1 27 PHE HB3 . . 3.500 2.477 2.389 2.616 . 0 0 "[ . 1 . 2 . 3 ]" 1
322 1 27 PHE H 1 27 PHE QE . . 6.900 6.157 6.120 6.177 . 0 0 "[ . 1 . 2 . 3 ]" 1
323 1 27 PHE H 1 28 LEU H . . 3.400 2.740 2.615 2.872 . 0 0 "[ . 1 . 2 . 3 ]" 1
324 1 27 PHE H 1 29 ARG H . . 4.200 4.136 3.828 4.228 0.028 27 0 "[ . 1 . 2 . 3 ]" 1
325 1 27 PHE H 1 30 SER H . . 4.600 4.627 4.540 4.662 0.062 23 0 "[ . 1 . 2 . 3 ]" 1
326 1 27 PHE HA 1 27 PHE QE . . 4.900 4.412 4.368 4.441 . 0 0 "[ . 1 . 2 . 3 ]" 1
327 1 27 PHE HA 1 28 LEU QD . . 8.470 5.423 4.990 5.619 . 0 0 "[ . 1 . 2 . 3 ]" 1
328 1 27 PHE HA 1 30 SER H . . 4.100 3.738 3.587 3.903 . 0 0 "[ . 1 . 2 . 3 ]" 1
329 1 27 PHE HA 1 30 SER QB . . 3.600 3.140 2.955 3.249 . 0 0 "[ . 1 . 2 . 3 ]" 1
330 1 27 PHE HA 1 31 GLU H . . 4.900 4.871 4.397 4.967 0.067 19 0 "[ . 1 . 2 . 3 ]" 1
331 1 27 PHE QB 1 28 LEU H . . 3.490 2.290 2.178 2.386 . 0 0 "[ . 1 . 2 . 3 ]" 1
332 1 27 PHE QB 1 28 LEU QD . . 8.420 3.513 2.803 3.900 . 0 0 "[ . 1 . 2 . 3 ]" 1
333 1 27 PHE QB 1 28 LEU HG . . 6.190 3.709 3.060 4.333 . 0 0 "[ . 1 . 2 . 3 ]" 1
334 1 27 PHE HB2 1 28 LEU H . . 3.700 3.679 3.507 3.718 0.018 20 0 "[ . 1 . 2 . 3 ]" 1
335 1 27 PHE HB2 1 28 LEU MD1 . . 10.040 5.164 4.392 5.777 . 0 0 "[ . 1 . 2 . 3 ]" 1
336 1 27 PHE HB2 1 28 LEU MD2 . . 10.040 6.578 5.628 7.002 . 0 0 "[ . 1 . 2 . 3 ]" 1
337 1 27 PHE HB2 1 28 LEU HG . . 6.500 5.479 4.837 6.134 . 0 0 "[ . 1 . 2 . 3 ]" 1
338 1 27 PHE HB3 1 28 LEU H . . 3.700 2.313 2.199 2.415 . 0 0 "[ . 1 . 2 . 3 ]" 1
339 1 27 PHE HB3 1 28 LEU MD1 . . 10.040 3.693 2.849 4.329 . 0 0 "[ . 1 . 2 . 3 ]" 1
340 1 27 PHE HB3 1 28 LEU MD2 . . 10.040 5.175 4.286 5.595 . 0 0 "[ . 1 . 2 . 3 ]" 1
341 1 27 PHE HB3 1 28 LEU HG . . 6.500 3.773 3.094 4.429 . 0 0 "[ . 1 . 2 . 3 ]" 1
342 1 27 PHE QD 1 48 PHE QD . . 6.500 3.425 2.534 4.172 . 0 0 "[ . 1 . 2 . 3 ]" 1
343 1 27 PHE QD 1 48 PHE QE . . 6.500 2.977 2.461 4.072 . 0 0 "[ . 1 . 2 . 3 ]" 1
344 1 27 PHE QE 1 48 PHE QE . . 6.500 4.061 3.637 4.441 . 0 0 "[ . 1 . 2 . 3 ]" 1
345 1 28 LEU H 1 28 LEU HB2 . . 3.600 2.325 2.170 2.511 . 0 0 "[ . 1 . 2 . 3 ]" 1
346 1 28 LEU H 1 28 LEU QB . . 3.340 2.297 2.149 2.469 . 0 0 "[ . 1 . 2 . 3 ]" 1
347 1 28 LEU H 1 28 LEU HB3 . . 3.600 3.575 3.475 3.645 0.045 12 0 "[ . 1 . 2 . 3 ]" 1
348 1 28 LEU H 1 28 LEU HG . . 4.900 2.963 2.368 3.509 . 0 0 "[ . 1 . 2 . 3 ]" 1
349 1 28 LEU H 1 29 ARG H . . 3.400 2.597 2.484 2.750 . 0 0 "[ . 1 . 2 . 3 ]" 1
350 1 28 LEU H 1 30 SER H . . 4.200 4.051 3.940 4.181 . 0 0 "[ . 1 . 2 . 3 ]" 1
351 1 28 LEU HA 1 29 ARG HA . . 4.800 4.786 4.665 4.839 0.039 24 0 "[ . 1 . 2 . 3 ]" 1
352 1 28 LEU HA 1 31 GLU H . . 4.000 3.607 3.292 3.829 . 0 0 "[ . 1 . 2 . 3 ]" 1
353 1 28 LEU HA 1 31 GLU QB . . 4.200 3.495 3.218 3.827 . 0 0 "[ . 1 . 2 . 3 ]" 1
354 1 28 LEU HA 1 32 ALA H . . 5.000 4.078 3.622 4.296 . 0 0 "[ . 1 . 2 . 3 ]" 1
355 1 28 LEU QB 1 29 ARG H . . 4.180 2.334 2.190 2.636 . 0 0 "[ . 1 . 2 . 3 ]" 1
356 1 28 LEU QB 1 29 ARG HA . . 4.280 3.695 3.426 3.819 . 0 0 "[ . 1 . 2 . 3 ]" 1
357 1 28 LEU QB 1 29 ARG QB . . 6.880 3.918 3.470 4.407 . 0 0 "[ . 1 . 2 . 3 ]" 1
358 1 28 LEU QB 1 29 ARG QD . . 7.780 5.123 4.165 5.770 . 0 0 "[ . 1 . 2 . 3 ]" 1
359 1 28 LEU QB 1 29 ARG QG . . 7.780 4.231 3.003 5.387 . 0 0 "[ . 1 . 2 . 3 ]" 1
360 1 28 LEU QB 1 30 SER H . . 6.080 4.535 4.446 4.646 . 0 0 "[ . 1 . 2 . 3 ]" 1
361 1 28 LEU QB 1 31 GLU H . . 5.380 4.843 4.797 4.889 . 0 0 "[ . 1 . 2 . 3 ]" 1
362 1 28 LEU QB 1 32 ALA H . . 5.280 4.379 4.156 4.557 . 0 0 "[ . 1 . 2 . 3 ]" 1
363 1 28 LEU QB 1 40 ILE MD . . 6.680 4.825 4.383 5.020 . 0 0 "[ . 1 . 2 . 3 ]" 1
364 1 28 LEU QB 1 40 ILE QG . . 7.780 5.193 4.660 5.925 . 0 0 "[ . 1 . 2 . 3 ]" 1
365 1 28 LEU QD 1 32 ALA MB . . 7.870 3.939 3.694 4.468 . 0 0 "[ . 1 . 2 . 3 ]" 1
366 1 29 ARG H 1 30 SER H . . 3.400 2.933 2.630 3.027 . 0 0 "[ . 1 . 2 . 3 ]" 1
367 1 29 ARG H 1 30 SER QB . . 6.900 4.757 4.415 5.049 . 0 0 "[ . 1 . 2 . 3 ]" 1
368 1 29 ARG H 1 31 GLU H . . 5.100 4.505 4.277 4.694 . 0 0 "[ . 1 . 2 . 3 ]" 1
369 1 29 ARG H 1 32 ALA H . . 4.600 4.735 4.690 4.766 0.166 16 0 "[ . 1 . 2 . 3 ]" 1
370 1 29 ARG HA 1 30 SER HA . . 5.800 4.783 4.704 4.848 . 0 0 "[ . 1 . 2 . 3 ]" 1
371 1 29 ARG HA 1 30 SER QB . . 6.900 5.263 5.133 5.427 . 0 0 "[ . 1 . 2 . 3 ]" 1
372 1 29 ARG HA 1 31 GLU H . . 4.500 4.315 4.116 4.518 0.018 6 0 "[ . 1 . 2 . 3 ]" 1
373 1 29 ARG HA 1 32 ALA H . . 5.000 3.333 3.121 3.587 . 0 0 "[ . 1 . 2 . 3 ]" 1
374 1 29 ARG HA 1 32 ALA MB . . 3.200 2.109 2.015 2.409 . 0 0 "[ . 1 . 2 . 3 ]" 1
375 1 29 ARG HA 1 33 ALA H . . 4.800 3.629 3.417 3.861 . 0 0 "[ . 1 . 2 . 3 ]" 1
376 1 29 ARG QB 1 30 SER HA . . 6.300 4.119 3.857 4.835 . 0 0 "[ . 1 . 2 . 3 ]" 1
377 1 29 ARG QB 1 30 SER QB . . 6.900 4.467 3.986 5.427 . 0 0 "[ . 1 . 2 . 3 ]" 1
378 1 29 ARG QG 1 30 SER H . . 6.900 4.232 2.381 4.652 . 0 0 "[ . 1 . 2 . 3 ]" 1
379 1 30 SER H 1 31 GLU H . . 3.200 2.687 2.591 2.836 . 0 0 "[ . 1 . 2 . 3 ]" 1
380 1 30 SER H 1 32 ALA H . . 5.100 4.104 4.008 4.211 . 0 0 "[ . 1 . 2 . 3 ]" 1
381 1 30 SER H 1 33 ALA H . . 4.700 4.632 4.551 4.710 0.010 7 0 "[ . 1 . 2 . 3 ]" 1
382 1 30 SER HA 1 33 ALA H . . 3.700 3.697 3.504 3.758 0.058 20 0 "[ . 1 . 2 . 3 ]" 1
383 1 30 SER HA 1 33 ALA MB . . 3.300 2.774 2.598 2.814 . 0 0 "[ . 1 . 2 . 3 ]" 1
384 1 30 SER QB 1 31 GLU HA . . 5.400 4.018 3.740 4.353 . 0 0 "[ . 1 . 2 . 3 ]" 1
385 1 30 SER QB 1 31 GLU QB . . 6.900 3.817 3.527 4.294 . 0 0 "[ . 1 . 2 . 3 ]" 1
386 1 31 GLU H 1 32 ALA H . . 3.600 2.465 2.358 2.680 . 0 0 "[ . 1 . 2 . 3 ]" 1
387 1 31 GLU H 1 33 ALA H . . 4.700 3.910 3.785 4.068 . 0 0 "[ . 1 . 2 . 3 ]" 1
388 1 31 GLU HA 1 34 LYS H . . 4.100 3.928 3.697 4.124 0.024 6 0 "[ . 1 . 2 . 3 ]" 1
389 1 31 GLU HA 1 34 LYS QB . . 4.780 3.814 3.218 4.287 . 0 0 "[ . 1 . 2 . 3 ]" 1
390 1 31 GLU HA 1 40 ILE HA . . 4.700 4.612 4.332 4.755 0.055 14 0 "[ . 1 . 2 . 3 ]" 1
391 1 31 GLU QB 1 32 ALA HA . . 6.300 3.995 3.797 4.548 . 0 0 "[ . 1 . 2 . 3 ]" 1
392 1 31 GLU QB 1 32 ALA MB . . 6.900 3.912 3.658 4.616 . 0 0 "[ . 1 . 2 . 3 ]" 1
393 1 31 GLU QB 1 40 ILE MD . . 6.900 4.720 4.276 5.181 . 0 0 "[ . 1 . 2 . 3 ]" 1
394 1 31 GLU QG 1 32 ALA H . . 6.900 4.148 1.962 4.643 . 0 0 "[ . 1 . 2 . 3 ]" 1
395 1 31 GLU QG 1 33 ALA H . . 6.900 5.614 4.410 5.953 . 0 0 "[ . 1 . 2 . 3 ]" 1
396 1 32 ALA H 1 32 ALA MB . . 3.000 2.153 2.087 2.223 . 0 0 "[ . 1 . 2 . 3 ]" 1
397 1 32 ALA H 1 33 ALA H . . 3.600 2.735 2.647 2.772 . 0 0 "[ . 1 . 2 . 3 ]" 1
398 1 32 ALA H 1 34 LYS H . . 5.000 4.378 4.141 4.532 . 0 0 "[ . 1 . 2 . 3 ]" 1
399 1 32 ALA HA 1 35 ASN H . . 4.200 3.728 3.052 3.943 . 0 0 "[ . 1 . 2 . 3 ]" 1
400 1 32 ALA HA 1 38 ASN HA . . 6.100 5.960 5.687 6.147 0.047 22 0 "[ . 1 . 2 . 3 ]" 1
401 1 32 ALA HA 1 40 ILE HA . . 4.400 4.329 4.153 4.438 0.038 6 0 "[ . 1 . 2 . 3 ]" 1
402 1 32 ALA HA 1 40 ILE QG . . 6.900 3.076 2.700 3.536 . 0 0 "[ . 1 . 2 . 3 ]" 1
403 1 32 ALA MB 1 33 ALA H . . 4.200 2.671 2.469 3.043 . 0 0 "[ . 1 . 2 . 3 ]" 1
404 1 32 ALA MB 1 33 ALA MB . . 6.000 3.824 3.620 4.163 . 0 0 "[ . 1 . 2 . 3 ]" 1
405 1 32 ALA MB 1 40 ILE QG . . 6.200 3.239 2.760 3.488 . 0 0 "[ . 1 . 2 . 3 ]" 1
406 1 33 ALA H 1 33 ALA MB . . 3.000 2.206 2.180 2.233 . 0 0 "[ . 1 . 2 . 3 ]" 1
407 1 33 ALA HA 1 34 LYS HA . . 4.700 4.656 4.517 4.711 0.011 23 0 "[ . 1 . 2 . 3 ]" 1
408 1 33 ALA HA 1 34 LYS QD . . 6.900 5.252 4.680 6.006 . 0 0 "[ . 1 . 2 . 3 ]" 1
409 1 33 ALA HA 1 34 LYS QE . . 6.900 5.405 4.275 6.188 . 0 0 "[ . 1 . 2 . 3 ]" 1
410 1 33 ALA HA 1 35 ASN H . . 4.300 3.802 3.555 4.207 . 0 0 "[ . 1 . 2 . 3 ]" 1
411 1 33 ALA MB 1 34 LYS QB . . 7.780 4.626 4.326 4.901 . 0 0 "[ . 1 . 2 . 3 ]" 1
412 1 33 ALA MB 1 34 LYS QD . . 5.800 3.681 3.046 4.317 . 0 0 "[ . 1 . 2 . 3 ]" 1
413 1 33 ALA MB 1 34 LYS QE . . 6.900 3.644 2.554 4.592 . 0 0 "[ . 1 . 2 . 3 ]" 1
414 1 34 LYS H 1 34 LYS HB2 . . 3.300 2.181 2.116 2.423 . 0 0 "[ . 1 . 2 . 3 ]" 1
415 1 34 LYS H 1 34 LYS QB . . 3.030 2.153 2.096 2.379 . 0 0 "[ . 1 . 2 . 3 ]" 1
416 1 34 LYS H 1 34 LYS HB3 . . 3.300 3.343 3.062 3.468 0.168 23 0 "[ . 1 . 2 . 3 ]" 1
417 1 34 LYS H 1 34 LYS QD . . 5.500 2.950 2.170 3.569 . 0 0 "[ . 1 . 2 . 3 ]" 1
418 1 34 LYS H 1 34 LYS QE . . 6.800 3.606 2.565 4.760 . 0 0 "[ . 1 . 2 . 3 ]" 1
419 1 34 LYS H 1 35 ASN H . . 3.400 2.386 2.064 2.528 . 0 0 "[ . 1 . 2 . 3 ]" 1
420 1 34 LYS QB 1 35 ASN H . . 5.380 3.021 2.735 3.395 . 0 0 "[ . 1 . 2 . 3 ]" 1
421 1 35 ASN HA 1 37 ASP H . . 4.700 4.811 4.762 4.872 0.172 28 0 "[ . 1 . 2 . 3 ]" 1
422 1 35 ASN HA 1 38 ASN H . . 4.700 4.691 4.533 4.767 0.067 19 0 "[ . 1 . 2 . 3 ]" 1
423 1 35 ASN QB 1 36 VAL HA . . 6.900 5.426 5.297 5.535 . 0 0 "[ . 1 . 2 . 3 ]" 1
424 1 35 ASN QB 1 36 VAL HB . . 6.900 4.274 3.913 4.521 . 0 0 "[ . 1 . 2 . 3 ]" 1
425 1 35 ASN QB 1 36 VAL MG1 . . 6.900 5.180 5.136 5.218 . 0 0 "[ . 1 . 2 . 3 ]" 1
426 1 35 ASN QB 1 36 VAL MG2 . . 6.900 4.699 3.806 5.120 . 0 0 "[ . 1 . 2 . 3 ]" 1
427 1 36 VAL H 1 36 VAL HB . . 3.400 3.420 2.942 3.505 0.105 27 0 "[ . 1 . 2 . 3 ]" 1
428 1 36 VAL H 1 37 ASP H . . 3.900 3.908 3.803 3.965 0.065 28 0 "[ . 1 . 2 . 3 ]" 1
429 1 36 VAL HA 1 37 ASP H . . 3.600 3.527 3.479 3.578 . 0 0 "[ . 1 . 2 . 3 ]" 1
430 1 36 VAL HB 1 37 ASP H . . 3.800 2.405 2.111 2.572 . 0 0 "[ . 1 . 2 . 3 ]" 1
431 1 36 VAL HB 1 37 ASP HA . . 5.200 5.115 4.862 5.241 0.041 5 0 "[ . 1 . 2 . 3 ]" 1
432 1 36 VAL HB 1 37 ASP HB2 . . 6.900 5.211 4.378 6.187 . 0 0 "[ . 1 . 2 . 3 ]" 1
433 1 36 VAL HB 1 37 ASP HB3 . . 6.900 5.109 4.700 5.399 . 0 0 "[ . 1 . 2 . 3 ]" 1
434 1 37 ASP H 1 37 ASP HB2 . . 3.500 3.479 3.064 3.846 0.346 28 0 "[ . 1 . 2 . 3 ]" 1
435 1 37 ASP H 1 37 ASP HB3 . . 3.500 3.315 3.125 3.585 0.085 9 0 "[ . 1 . 2 . 3 ]" 1
436 1 37 ASP H 1 38 ASN H . . 3.600 1.980 1.947 2.066 . 0 0 "[ . 1 . 2 . 3 ]" 1
437 1 37 ASP H 1 39 TYR H . . 4.600 4.003 3.856 4.131 . 0 0 "[ . 1 . 2 . 3 ]" 1
438 1 37 ASP HA 1 38 ASN H . . 3.100 2.845 2.689 2.994 . 0 0 "[ . 1 . 2 . 3 ]" 1
439 1 37 ASP HA 1 39 TYR H . . 4.200 3.459 2.979 4.199 . 0 0 "[ . 1 . 2 . 3 ]" 1
440 1 37 ASP QB 1 38 ASN QB . . 7.780 5.141 4.598 5.581 . 0 0 "[ . 1 . 2 . 3 ]" 1
441 1 38 ASN H 1 39 TYR H . . 2.700 2.147 1.988 2.317 . 0 0 "[ . 1 . 2 . 3 ]" 1
442 1 38 ASN H 1 81 ARG QB . . 5.700 4.800 4.411 5.110 . 0 0 "[ . 1 . 2 . 3 ]" 1
443 1 38 ASN HA 1 39 TYR H . . 3.500 3.395 3.211 3.537 0.037 8 0 "[ . 1 . 2 . 3 ]" 1
444 1 38 ASN HA 1 40 ILE MD . . 5.300 4.271 3.885 4.465 . 0 0 "[ . 1 . 2 . 3 ]" 1
445 1 39 TYR H 1 39 TYR QB . . 3.570 2.504 2.301 2.702 . 0 0 "[ . 1 . 2 . 3 ]" 1
446 1 39 TYR H 1 80 VAL QG . . 8.460 5.594 5.159 6.297 . 0 0 "[ . 1 . 2 . 3 ]" 1
447 1 39 TYR H 1 81 ARG QB . . 6.900 5.172 4.474 5.771 . 0 0 "[ . 1 . 2 . 3 ]" 1
448 1 39 TYR HA 1 81 ARG QD . . 6.900 5.760 4.431 6.276 . 0 0 "[ . 1 . 2 . 3 ]" 1
449 1 40 ILE H 1 80 VAL H . . 4.600 2.308 2.006 2.582 . 0 0 "[ . 1 . 2 . 3 ]" 1
450 1 40 ILE HA 1 41 SER H . . 3.500 2.314 2.213 2.436 . 0 0 "[ . 1 . 2 . 3 ]" 1
451 1 40 ILE HB 1 41 SER QB . . 6.900 5.844 5.648 6.045 . 0 0 "[ . 1 . 2 . 3 ]" 1
452 1 40 ILE MD 1 71 LEU HB2 . . 6.400 5.388 5.336 5.438 . 0 0 "[ . 1 . 2 . 3 ]" 1
453 1 40 ILE MD 1 71 LEU QB . . 6.190 4.325 4.098 4.613 . 0 0 "[ . 1 . 2 . 3 ]" 1
454 1 40 ILE MD 1 71 LEU HB3 . . 6.400 4.563 4.258 5.036 . 0 0 "[ . 1 . 2 . 3 ]" 1
455 1 40 ILE QG 1 80 VAL HA . . 6.900 5.459 4.945 6.150 . 0 0 "[ . 1 . 2 . 3 ]" 1
456 1 40 ILE MG 1 48 PHE QE . . 6.500 4.453 4.021 4.808 . 0 0 "[ . 1 . 2 . 3 ]" 1
457 1 41 SER H 1 42 ILE H . . 4.700 4.574 4.509 4.620 . 0 0 "[ . 1 . 2 . 3 ]" 1
458 1 41 SER H 1 43 ASP H . . 4.800 4.842 4.795 4.898 0.098 6 0 "[ . 1 . 2 . 3 ]" 1
459 1 41 SER H 1 78 LYS HA . . 6.100 6.138 5.973 6.208 0.108 10 0 "[ . 1 . 2 . 3 ]" 1
460 1 41 SER H 1 79 MET HA . . 5.500 4.675 4.369 4.891 . 0 0 "[ . 1 . 2 . 3 ]" 1
461 1 41 SER H 1 79 MET QB . . 7.780 5.658 4.946 6.160 . 0 0 "[ . 1 . 2 . 3 ]" 1
462 1 41 SER QB 1 44 VAL QG . . 8.460 3.361 2.828 3.767 . 0 0 "[ . 1 . 2 . 3 ]" 1
463 1 42 ILE H 1 43 ASP H . . 3.600 2.746 2.648 2.849 . 0 0 "[ . 1 . 2 . 3 ]" 1
464 1 42 ILE H 1 78 LYS HA . . 3.500 2.547 2.345 2.782 . 0 0 "[ . 1 . 2 . 3 ]" 1
465 1 42 ILE H 1 78 LYS QB . . 6.900 4.033 3.322 4.728 . 0 0 "[ . 1 . 2 . 3 ]" 1
466 1 42 ILE H 1 78 LYS QE . . 6.700 4.712 2.804 5.923 . 0 0 "[ . 1 . 2 . 3 ]" 1
467 1 42 ILE H 1 79 MET H . . 5.100 5.098 4.981 5.168 0.068 26 0 "[ . 1 . 2 . 3 ]" 1
468 1 42 ILE H 1 79 MET QB . . 7.780 6.035 5.533 6.417 . 0 0 "[ . 1 . 2 . 3 ]" 1
469 1 42 ILE HA 1 45 ILE HB . . 2.900 2.571 2.260 2.908 0.008 27 0 "[ . 1 . 2 . 3 ]" 1
470 1 42 ILE HB 1 61 ILE MD . . 6.000 4.599 4.049 5.039 . 0 0 "[ . 1 . 2 . 3 ]" 1
471 1 42 ILE HB 1 61 ILE MG . . 5.000 3.608 2.812 4.239 . 0 0 "[ . 1 . 2 . 3 ]" 1
472 1 43 ASP H 1 44 VAL H . . 3.400 2.698 2.554 2.836 . 0 0 "[ . 1 . 2 . 3 ]" 1
473 1 43 ASP H 1 45 ILE H . . 4.400 4.100 3.940 4.314 . 0 0 "[ . 1 . 2 . 3 ]" 1
474 1 43 ASP H 1 46 ALA H . . 5.300 4.597 4.529 4.741 . 0 0 "[ . 1 . 2 . 3 ]" 1
475 1 43 ASP HA 1 44 VAL HA . . 4.800 4.800 4.733 4.819 0.019 24 0 "[ . 1 . 2 . 3 ]" 1
476 1 43 ASP HA 1 44 VAL MG1 . . 7.300 6.051 5.985 6.082 . 0 0 "[ . 1 . 2 . 3 ]" 1
477 1 43 ASP HA 1 44 VAL QG . . 6.830 5.029 4.920 5.095 . 0 0 "[ . 1 . 2 . 3 ]" 1
478 1 43 ASP HA 1 44 VAL MG2 . . 7.300 5.377 5.197 5.507 . 0 0 "[ . 1 . 2 . 3 ]" 1
479 1 43 ASP HA 1 45 ILE H . . 4.700 4.589 4.332 4.713 0.013 27 0 "[ . 1 . 2 . 3 ]" 1
480 1 43 ASP HA 1 46 ALA H . . 4.900 3.616 3.349 3.759 . 0 0 "[ . 1 . 2 . 3 ]" 1
481 1 43 ASP HA 1 46 ALA MB . . 3.300 2.697 2.431 2.783 . 0 0 "[ . 1 . 2 . 3 ]" 1
482 1 43 ASP HA 1 47 SER H . . 5.000 4.073 3.890 4.239 . 0 0 "[ . 1 . 2 . 3 ]" 1
483 1 43 ASP HA 1 47 SER QB . . 5.200 4.137 3.933 4.672 . 0 0 "[ . 1 . 2 . 3 ]" 1
484 1 43 ASP QB 1 44 VAL HA . . 6.900 3.956 3.835 4.191 . 0 0 "[ . 1 . 2 . 3 ]" 1
485 1 43 ASP QB 1 44 VAL QG . . 8.460 3.509 3.169 3.775 . 0 0 "[ . 1 . 2 . 3 ]" 1
486 1 44 VAL H 1 44 VAL HB . . 3.000 2.021 1.990 2.076 . 0 0 "[ . 1 . 2 . 3 ]" 1
487 1 44 VAL H 1 44 VAL MG1 . . 4.000 3.419 3.345 3.482 . 0 0 "[ . 1 . 2 . 3 ]" 1
488 1 44 VAL H 1 44 VAL MG2 . . 4.000 2.914 2.678 3.183 . 0 0 "[ . 1 . 2 . 3 ]" 1
489 1 44 VAL H 1 45 ILE H . . 3.300 2.480 2.399 2.618 . 0 0 "[ . 1 . 2 . 3 ]" 1
490 1 44 VAL H 1 46 ALA H . . 4.200 3.975 3.852 4.068 . 0 0 "[ . 1 . 2 . 3 ]" 1
491 1 44 VAL H 1 47 SER H . . 4.400 4.452 4.431 4.498 0.098 23 0 "[ . 1 . 2 . 3 ]" 1
492 1 44 VAL HA 1 46 ALA H . . 4.800 4.484 4.305 4.632 . 0 0 "[ . 1 . 2 . 3 ]" 1
493 1 44 VAL HA 1 47 SER H . . 4.100 3.352 3.199 3.525 . 0 0 "[ . 1 . 2 . 3 ]" 1
494 1 44 VAL HA 1 47 SER QB . . 4.200 2.499 2.265 2.811 . 0 0 "[ . 1 . 2 . 3 ]" 1
495 1 44 VAL HA 1 48 PHE H . . 6.900 4.703 4.230 4.926 . 0 0 "[ . 1 . 2 . 3 ]" 1
496 1 44 VAL HB 1 45 ILE H . . 3.300 2.894 2.653 3.197 . 0 0 "[ . 1 . 2 . 3 ]" 1
497 1 44 VAL QG 1 45 ILE H . . 5.960 2.645 2.535 2.798 . 0 0 "[ . 1 . 2 . 3 ]" 1
498 1 45 ILE H 1 45 ILE HB . . 3.100 2.632 2.529 2.732 . 0 0 "[ . 1 . 2 . 3 ]" 1
499 1 45 ILE H 1 45 ILE MD . . 4.600 3.203 2.316 3.456 . 0 0 "[ . 1 . 2 . 3 ]" 1
500 1 45 ILE H 1 46 ALA H . . 3.300 2.620 2.478 2.722 . 0 0 "[ . 1 . 2 . 3 ]" 1
501 1 45 ILE H 1 47 SER H . . 4.100 3.801 3.610 3.925 . 0 0 "[ . 1 . 2 . 3 ]" 1
502 1 45 ILE H 1 48 PHE H . . 6.000 4.895 4.705 5.038 . 0 0 "[ . 1 . 2 . 3 ]" 1
503 1 45 ILE H 1 51 MET QG . . 7.780 6.093 5.565 6.596 . 0 0 "[ . 1 . 2 . 3 ]" 1
504 1 45 ILE H 1 61 ILE MD . . 6.900 5.038 4.647 5.575 . 0 0 "[ . 1 . 2 . 3 ]" 1
505 1 45 ILE HA 1 46 ALA HA . . 4.700 4.741 4.718 4.765 0.065 6 0 "[ . 1 . 2 . 3 ]" 1
506 1 45 ILE HA 1 47 SER H . . 4.700 4.048 3.874 4.274 . 0 0 "[ . 1 . 2 . 3 ]" 1
507 1 45 ILE HA 1 48 PHE QB . . 3.100 2.658 2.300 2.882 . 0 0 "[ . 1 . 2 . 3 ]" 1
508 1 45 ILE HB 1 46 ALA HA . . 4.300 4.314 4.265 4.348 0.048 18 0 "[ . 1 . 2 . 3 ]" 1
509 1 45 ILE HB 1 46 ALA MB . . 5.800 4.044 3.856 4.123 . 0 0 "[ . 1 . 2 . 3 ]" 1
510 1 45 ILE HB 1 47 SER H . . 4.800 4.846 4.768 4.887 0.087 19 0 "[ . 1 . 2 . 3 ]" 1
511 1 45 ILE HB 1 48 PHE H . . 5.300 5.335 5.215 5.385 0.085 16 0 "[ . 1 . 2 . 3 ]" 1
512 1 45 ILE MD 1 46 ALA H . . 5.300 4.352 3.970 4.444 . 0 0 "[ . 1 . 2 . 3 ]" 1
513 1 45 ILE MD 1 77 GLY QA . . 7.780 5.823 5.786 5.860 . 0 0 "[ . 1 . 2 . 3 ]" 1
514 1 45 ILE QG 1 46 ALA H . . 6.900 4.016 3.847 4.408 . 0 0 "[ . 1 . 2 . 3 ]" 1
515 1 45 ILE QG 1 47 SER H . . 6.900 5.266 5.063 5.457 . 0 0 "[ . 1 . 2 . 3 ]" 1
516 1 46 ALA H 1 46 ALA MB . . 3.000 2.255 2.225 2.280 . 0 0 "[ . 1 . 2 . 3 ]" 1
517 1 46 ALA H 1 47 SER H . . 3.500 2.464 2.370 2.559 . 0 0 "[ . 1 . 2 . 3 ]" 1
518 1 46 ALA H 1 48 PHE H . . 4.800 3.993 3.875 4.103 . 0 0 "[ . 1 . 2 . 3 ]" 1
519 1 46 ALA HA 1 48 PHE H . . 4.500 3.816 3.701 4.123 . 0 0 "[ . 1 . 2 . 3 ]" 1
520 1 46 ALA MB 1 47 SER H . . 4.300 2.760 2.535 3.062 . 0 0 "[ . 1 . 2 . 3 ]" 1
521 1 47 SER H 1 48 PHE H . . 3.200 2.618 2.386 2.847 . 0 0 "[ . 1 . 2 . 3 ]" 1
522 1 48 PHE H 1 48 PHE QB . . 3.660 2.020 1.966 2.139 . 0 0 "[ . 1 . 2 . 3 ]" 1
523 1 48 PHE H 1 52 LYS H . . 4.500 4.162 3.909 4.524 0.024 20 0 "[ . 1 . 2 . 3 ]" 1
524 1 48 PHE QB 1 51 MET H . . 4.780 2.339 2.079 2.585 . 0 0 "[ . 1 . 2 . 3 ]" 1
525 1 49 ASN H 1 50 ARG H . . 4.300 3.902 3.140 4.081 . 0 0 "[ . 1 . 2 . 3 ]" 1
526 1 49 ASN H 1 51 MET H . . 4.500 4.082 3.468 4.367 . 0 0 "[ . 1 . 2 . 3 ]" 1
527 1 49 ASN HA 1 52 LYS QB . . 3.200 2.822 2.624 2.936 . 0 0 "[ . 1 . 2 . 3 ]" 1
528 1 49 ASN QB 1 50 ARG QD . . 6.900 5.467 4.626 5.544 . 0 0 "[ . 1 . 2 . 3 ]" 1
529 1 50 ARG H 1 52 LYS H . . 5.000 4.315 4.053 4.604 . 0 0 "[ . 1 . 2 . 3 ]" 1
530 1 50 ARG HA 1 53 THR H . . 4.700 3.517 3.348 3.694 . 0 0 "[ . 1 . 2 . 3 ]" 1
531 1 50 ARG HA 1 53 THR HB . . 4.400 4.434 4.406 4.464 0.064 20 0 "[ . 1 . 2 . 3 ]" 1
532 1 50 ARG QB 1 51 MET QB . . 7.780 4.263 3.732 5.181 . 0 0 "[ . 1 . 2 . 3 ]" 1
533 1 51 MET H 1 51 MET ME . . 5.600 3.539 2.358 4.704 . 0 0 "[ . 1 . 2 . 3 ]" 1
534 1 51 MET H 1 51 MET HG2 . . 5.500 3.904 2.308 4.697 . 0 0 "[ . 1 . 2 . 3 ]" 1
535 1 51 MET H 1 51 MET QG . . 4.770 3.494 2.281 4.065 . 0 0 "[ . 1 . 2 . 3 ]" 1
536 1 51 MET H 1 51 MET HG3 . . 5.500 4.134 3.549 4.583 . 0 0 "[ . 1 . 2 . 3 ]" 1
537 1 51 MET H 1 52 LYS H . . 3.300 2.642 2.502 2.858 . 0 0 "[ . 1 . 2 . 3 ]" 1
538 1 51 MET H 1 53 THR H . . 4.100 4.065 3.888 4.140 0.040 17 0 "[ . 1 . 2 . 3 ]" 1
539 1 51 MET H 1 54 ILE H . . 4.600 4.695 4.650 4.739 0.139 8 0 "[ . 1 . 2 . 3 ]" 1
540 1 51 MET QG 1 52 LYS H . . 6.280 4.336 3.431 4.724 . 0 0 "[ . 1 . 2 . 3 ]" 1
541 1 52 LYS H 1 52 LYS QD . . 4.900 4.323 3.875 4.444 . 0 0 "[ . 1 . 2 . 3 ]" 1
542 1 52 LYS H 1 52 LYS QE . . 6.900 5.785 5.378 6.093 . 0 0 "[ . 1 . 2 . 3 ]" 1
543 1 52 LYS H 1 53 THR H . . 3.600 2.722 2.558 2.925 . 0 0 "[ . 1 . 2 . 3 ]" 1
544 1 52 LYS H 1 54 ILE H . . 4.700 4.363 4.114 4.689 . 0 0 "[ . 1 . 2 . 3 ]" 1
545 1 52 LYS HA 1 52 LYS QD . . 4.900 3.295 2.002 4.090 . 0 0 "[ . 1 . 2 . 3 ]" 1
546 1 52 LYS HA 1 53 THR MG . . 5.800 4.833 4.699 4.872 . 0 0 "[ . 1 . 2 . 3 ]" 1
547 1 52 LYS HA 1 55 SER QB . . 4.480 3.491 2.919 4.046 . 0 0 "[ . 1 . 2 . 3 ]" 1
548 1 52 LYS QB 1 53 THR H . . 5.100 2.697 2.469 2.814 . 0 0 "[ . 1 . 2 . 3 ]" 1
549 1 52 LYS QB 1 53 THR MG . . 6.900 2.899 2.671 3.135 . 0 0 "[ . 1 . 2 . 3 ]" 1
550 1 53 THR H 1 53 THR HB . . 3.600 3.533 3.493 3.617 0.017 8 0 "[ . 1 . 2 . 3 ]" 1
551 1 53 THR H 1 53 THR MG . . 4.800 2.300 2.155 2.494 . 0 0 "[ . 1 . 2 . 3 ]" 1
552 1 53 THR H 1 54 ILE H . . 3.400 2.639 2.451 2.720 . 0 0 "[ . 1 . 2 . 3 ]" 1
553 1 53 THR H 1 55 SER H . . 4.200 3.968 3.833 4.115 . 0 0 "[ . 1 . 2 . 3 ]" 1
554 1 53 THR HB 1 54 ILE HA . . 4.600 4.313 4.192 4.462 . 0 0 "[ . 1 . 2 . 3 ]" 1
555 1 53 THR MG 1 54 ILE H . . 6.000 3.989 3.880 4.096 . 0 0 "[ . 1 . 2 . 3 ]" 1
556 1 53 THR MG 1 55 SER H . . 6.300 5.307 5.277 5.345 . 0 0 "[ . 1 . 2 . 3 ]" 1
557 1 54 ILE H 1 54 ILE HB . . 3.000 2.379 2.210 2.553 . 0 0 "[ . 1 . 2 . 3 ]" 1
558 1 54 ILE H 1 54 ILE MD . . 5.400 3.639 3.336 3.887 . 0 0 "[ . 1 . 2 . 3 ]" 1
559 1 54 ILE H 1 55 SER H . . 3.100 2.588 2.389 2.801 . 0 0 "[ . 1 . 2 . 3 ]" 1
560 1 54 ILE HA 1 56 THR H . . 4.500 4.505 4.336 4.550 0.050 31 0 "[ . 1 . 2 . 3 ]" 1
561 1 54 ILE HB 1 54 ILE MD . . 3.700 2.939 2.261 3.210 . 0 0 "[ . 1 . 2 . 3 ]" 1
562 1 54 ILE HB 1 55 SER H . . 3.000 2.937 2.771 3.036 0.036 31 0 "[ . 1 . 2 . 3 ]" 1
563 1 54 ILE HB 1 55 SER HB2 . . 6.900 5.051 4.079 6.104 . 0 0 "[ . 1 . 2 . 3 ]" 1
564 1 54 ILE HB 1 55 SER HB3 . . 6.900 5.326 4.299 6.100 . 0 0 "[ . 1 . 2 . 3 ]" 1
565 1 55 SER H 1 55 SER HB2 . . 3.900 2.827 2.177 3.700 . 0 0 "[ . 1 . 2 . 3 ]" 1
566 1 55 SER H 1 55 SER QB . . 3.700 2.428 2.150 2.654 . 0 0 "[ . 1 . 2 . 3 ]" 1
567 1 55 SER H 1 55 SER HB3 . . 3.900 3.082 2.544 3.706 . 0 0 "[ . 1 . 2 . 3 ]" 1
568 1 55 SER H 1 56 THR H . . 4.100 2.305 2.168 2.402 . 0 0 "[ . 1 . 2 . 3 ]" 1
569 1 55 SER HA 1 56 THR H . . 3.500 3.510 3.486 3.537 0.037 15 0 "[ . 1 . 2 . 3 ]" 1
570 1 55 SER HA 1 56 THR HB . . 4.300 4.391 4.316 4.446 0.146 29 0 "[ . 1 . 2 . 3 ]" 1
571 1 55 SER QB 1 56 THR H . . 4.110 2.922 2.568 3.381 . 0 0 "[ . 1 . 2 . 3 ]" 1
572 1 55 SER QB 1 56 THR HA . . 5.530 4.441 4.117 4.969 . 0 0 "[ . 1 . 2 . 3 ]" 1
573 1 55 SER QB 1 57 ASP H . . 4.580 2.429 1.929 3.034 . 0 0 "[ . 1 . 2 . 3 ]" 1
574 1 55 SER HB2 1 56 THR H . . 4.400 3.368 2.650 3.899 . 0 0 "[ . 1 . 2 . 3 ]" 1
575 1 55 SER HB2 1 56 THR HA . . 5.700 5.124 4.318 5.750 0.050 6 0 "[ . 1 . 2 . 3 ]" 1
576 1 55 SER HB3 1 56 THR H . . 4.400 3.435 2.626 3.951 . 0 0 "[ . 1 . 2 . 3 ]" 1
577 1 55 SER HB3 1 56 THR HA . . 5.700 5.103 4.241 5.761 0.061 11 0 "[ . 1 . 2 . 3 ]" 1
578 1 56 THR H 1 56 THR HB . . 4.100 3.461 3.092 3.669 . 0 0 "[ . 1 . 2 . 3 ]" 1
579 1 56 THR HA 1 57 ASP HA . . 4.900 4.577 4.508 4.695 . 0 0 "[ . 1 . 2 . 3 ]" 1
580 1 56 THR HB 1 57 ASP H . . 4.100 3.655 3.077 3.989 . 0 0 "[ . 1 . 2 . 3 ]" 1
581 1 57 ASP H 1 57 ASP HB2 . . 3.700 3.212 2.951 3.361 . 0 0 "[ . 1 . 2 . 3 ]" 1
582 1 57 ASP H 1 57 ASP QB . . 3.390 2.618 2.333 2.809 . 0 0 "[ . 1 . 2 . 3 ]" 1
583 1 57 ASP H 1 57 ASP HB3 . . 3.700 2.778 2.444 3.066 . 0 0 "[ . 1 . 2 . 3 ]" 1
584 1 57 ASP H 1 58 LEU H . . 4.100 4.167 4.115 4.212 0.112 24 0 "[ . 1 . 2 . 3 ]" 1
585 1 57 ASP H 1 59 GLN H . . 4.800 4.759 4.445 4.858 0.058 31 0 "[ . 1 . 2 . 3 ]" 1
586 1 57 ASP HA 1 58 LEU H . . 3.100 2.192 2.140 2.309 . 0 0 "[ . 1 . 2 . 3 ]" 1
587 1 57 ASP QB 1 58 LEU H . . 4.170 3.554 3.350 3.720 . 0 0 "[ . 1 . 2 . 3 ]" 1
588 1 57 ASP HB2 1 58 LEU H . . 4.500 4.099 3.811 4.255 . 0 0 "[ . 1 . 2 . 3 ]" 1
589 1 57 ASP HB3 1 58 LEU H . . 4.500 3.900 3.629 4.106 . 0 0 "[ . 1 . 2 . 3 ]" 1
590 1 58 LEU H 1 58 LEU HG . . 3.400 3.121 2.372 3.578 0.178 22 0 "[ . 1 . 2 . 3 ]" 1
591 1 58 LEU H 1 59 GLN H . . 3.400 2.464 2.354 2.660 . 0 0 "[ . 1 . 2 . 3 ]" 1
592 1 58 LEU H 1 60 LEU H . . 4.500 4.405 4.072 4.532 0.032 29 0 "[ . 1 . 2 . 3 ]" 1
593 1 58 LEU HA 1 59 GLN HA . . 6.900 4.825 4.766 4.921 . 0 0 "[ . 1 . 2 . 3 ]" 1
594 1 58 LEU HA 1 59 GLN QB . . 5.600 5.056 5.021 5.096 . 0 0 "[ . 1 . 2 . 3 ]" 1
595 1 58 LEU HA 1 61 ILE H . . 3.900 3.047 2.782 3.199 . 0 0 "[ . 1 . 2 . 3 ]" 1
596 1 58 LEU HA 1 61 ILE HB . . 2.600 2.442 2.246 2.606 0.006 10 0 "[ . 1 . 2 . 3 ]" 1
597 1 58 LEU HA 1 62 THR H . . 4.300 3.832 3.619 4.030 . 0 0 "[ . 1 . 2 . 3 ]" 1
598 1 58 LEU QB 1 59 GLN H . . 5.100 3.058 2.911 3.302 . 0 0 "[ . 1 . 2 . 3 ]" 1
599 1 58 LEU QB 1 59 GLN HA . . 4.800 4.051 3.943 4.147 . 0 0 "[ . 1 . 2 . 3 ]" 1
600 1 58 LEU QB 1 59 GLN QB . . 6.900 4.220 4.034 4.416 . 0 0 "[ . 1 . 2 . 3 ]" 1
601 1 58 LEU QD 1 59 GLN H . . 8.470 4.105 3.540 4.390 . 0 0 "[ . 1 . 2 . 3 ]" 1
602 1 58 LEU HG 1 59 GLN H . . 5.800 4.866 4.446 5.300 . 0 0 "[ . 1 . 2 . 3 ]" 1
603 1 58 LEU HG 1 61 ILE QG . . 6.900 5.054 4.316 6.174 . 0 0 "[ . 1 . 2 . 3 ]" 1
604 1 59 GLN H 1 59 GLN QB . . 3.800 2.190 2.157 2.236 . 0 0 "[ . 1 . 2 . 3 ]" 1
605 1 59 GLN H 1 60 LEU H . . 3.100 2.633 2.459 2.754 . 0 0 "[ . 1 . 2 . 3 ]" 1
606 1 59 GLN H 1 61 ILE H . . 3.700 3.749 3.685 3.796 0.096 7 0 "[ . 1 . 2 . 3 ]" 1
607 1 59 GLN H 1 62 THR H . . 4.400 4.535 4.490 4.580 0.180 14 0 "[ . 1 . 2 . 3 ]" 1
608 1 59 GLN HA 1 62 THR H . . 3.900 3.533 3.348 3.733 . 0 0 "[ . 1 . 2 . 3 ]" 1
609 1 59 GLN HA 1 63 GLU H . . 4.300 4.096 3.929 4.233 . 0 0 "[ . 1 . 2 . 3 ]" 1
610 1 59 GLN QB 1 60 LEU H . . 4.500 2.368 2.145 2.544 . 0 0 "[ . 1 . 2 . 3 ]" 1
611 1 59 GLN QB 1 60 LEU QB . . 7.780 3.844 3.606 4.146 . 0 0 "[ . 1 . 2 . 3 ]" 1
612 1 60 LEU H 1 60 LEU HB2 . . 3.300 2.109 2.037 2.278 . 0 0 "[ . 1 . 2 . 3 ]" 1
613 1 60 LEU H 1 60 LEU QB . . 2.980 2.084 2.021 2.193 . 0 0 "[ . 1 . 2 . 3 ]" 1
614 1 60 LEU H 1 60 LEU HB3 . . 3.300 3.296 2.858 3.415 0.115 14 0 "[ . 1 . 2 . 3 ]" 1
615 1 60 LEU H 1 60 LEU HG . . 5.100 4.028 3.158 4.537 . 0 0 "[ . 1 . 2 . 3 ]" 1
616 1 60 LEU H 1 61 ILE H . . 3.600 2.560 2.426 2.686 . 0 0 "[ . 1 . 2 . 3 ]" 1
617 1 60 LEU H 1 62 THR H . . 4.300 4.084 3.857 4.265 . 0 0 "[ . 1 . 2 . 3 ]" 1
618 1 60 LEU H 1 63 GLU H . . 5.100 4.689 4.530 4.778 . 0 0 "[ . 1 . 2 . 3 ]" 1
619 1 60 LEU HA 1 61 ILE HA . . 6.900 4.683 4.633 4.811 . 0 0 "[ . 1 . 2 . 3 ]" 1
620 1 60 LEU HA 1 61 ILE HB . . 6.100 5.594 5.545 5.772 . 0 0 "[ . 1 . 2 . 3 ]" 1
621 1 60 LEU HA 1 63 GLU H . . 3.800 3.274 3.052 3.468 . 0 0 "[ . 1 . 2 . 3 ]" 1
622 1 60 LEU HA 1 63 GLU HB2 . . 3.800 3.601 3.155 3.850 0.050 28 0 "[ . 1 . 2 . 3 ]" 1
623 1 60 LEU HA 1 63 GLU QB . . 3.050 2.586 2.245 2.754 . 0 0 "[ . 1 . 2 . 3 ]" 1
624 1 60 LEU HA 1 63 GLU HB3 . . 3.800 2.656 2.281 2.872 . 0 0 "[ . 1 . 2 . 3 ]" 1
625 1 60 LEU HA 1 63 GLU QG . . 6.900 4.676 4.249 4.979 . 0 0 "[ . 1 . 2 . 3 ]" 1
626 1 60 LEU HA 1 64 ALA H . . 3.700 3.741 3.704 3.777 0.077 15 0 "[ . 1 . 2 . 3 ]" 1
627 1 60 LEU QB 1 61 ILE H . . 4.580 2.930 2.816 3.048 . 0 0 "[ . 1 . 2 . 3 ]" 1
628 1 60 LEU QB 1 61 ILE HA . . 4.780 3.938 3.802 4.136 . 0 0 "[ . 1 . 2 . 3 ]" 1
629 1 60 LEU QB 1 61 ILE MG . . 7.580 5.138 5.012 5.390 . 0 0 "[ . 1 . 2 . 3 ]" 1
630 1 61 ILE H 1 61 ILE HB . . 3.100 2.170 2.105 2.474 . 0 0 "[ . 1 . 2 . 3 ]" 1
631 1 61 ILE H 1 61 ILE MD . . 5.300 4.324 3.378 4.422 . 0 0 "[ . 1 . 2 . 3 ]" 1
632 1 61 ILE H 1 62 THR H . . 4.100 2.554 2.427 2.672 . 0 0 "[ . 1 . 2 . 3 ]" 1
633 1 61 ILE H 1 63 GLU H . . 4.000 4.054 4.021 4.083 0.083 12 0 "[ . 1 . 2 . 3 ]" 1
634 1 61 ILE HA 1 61 ILE MD . . 4.400 2.321 2.092 3.770 . 0 0 "[ . 1 . 2 . 3 ]" 1
635 1 61 ILE HA 1 64 ALA H . . 4.100 3.422 3.305 3.592 . 0 0 "[ . 1 . 2 . 3 ]" 1
636 1 61 ILE HA 1 64 ALA MB . . 3.200 2.606 2.395 2.694 . 0 0 "[ . 1 . 2 . 3 ]" 1
637 1 61 ILE HA 1 65 LEU H . . 4.400 4.271 4.111 4.432 0.032 20 0 "[ . 1 . 2 . 3 ]" 1
638 1 61 ILE HB 1 62 THR H . . 3.500 3.495 2.668 3.551 0.051 10 0 "[ . 1 . 2 . 3 ]" 1
639 1 61 ILE MD 1 62 THR H . . 5.400 4.353 4.160 4.522 . 0 0 "[ . 1 . 2 . 3 ]" 1
640 1 62 THR H 1 63 GLU H . . 2.600 2.498 2.421 2.576 . 0 0 "[ . 1 . 2 . 3 ]" 1
641 1 62 THR H 1 64 ALA H . . 3.800 3.895 3.844 3.924 0.124 4 0 "[ . 1 . 2 . 3 ]" 1
642 1 62 THR H 1 65 LEU QB . . 6.580 5.297 4.995 5.575 . 0 0 "[ . 1 . 2 . 3 ]" 1
643 1 62 THR HA 1 63 GLU H . . 3.600 3.577 3.514 3.617 0.017 22 0 "[ . 1 . 2 . 3 ]" 1
644 1 62 THR HA 1 63 GLU HA . . 6.000 4.723 4.647 4.811 . 0 0 "[ . 1 . 2 . 3 ]" 1
645 1 62 THR HA 1 63 GLU QG . . 7.100 6.323 6.192 6.376 . 0 0 "[ . 1 . 2 . 3 ]" 1
646 1 62 THR HA 1 64 ALA H . . 4.700 4.316 4.190 4.402 . 0 0 "[ . 1 . 2 . 3 ]" 1
647 1 62 THR HA 1 65 LEU H . . 6.900 3.462 3.266 3.654 . 0 0 "[ . 1 . 2 . 3 ]" 1
648 1 62 THR HA 1 66 LYS H . . 4.600 4.181 3.966 4.427 . 0 0 "[ . 1 . 2 . 3 ]" 1
649 1 63 GLU H 1 63 GLU HB2 . . 3.200 2.592 2.477 2.790 . 0 0 "[ . 1 . 2 . 3 ]" 1
650 1 63 GLU H 1 63 GLU HB3 . . 3.200 2.585 2.418 2.789 . 0 0 "[ . 1 . 2 . 3 ]" 1
651 1 63 GLU H 1 63 GLU QG . . 5.000 3.979 3.906 4.041 . 0 0 "[ . 1 . 2 . 3 ]" 1
652 1 63 GLU H 1 64 ALA H . . 3.200 2.577 2.487 2.697 . 0 0 "[ . 1 . 2 . 3 ]" 1
653 1 63 GLU H 1 65 LEU H . . 4.600 4.249 4.074 4.418 . 0 0 "[ . 1 . 2 . 3 ]" 1
654 1 63 GLU H 1 66 LYS H . . 5.000 4.634 4.484 4.755 . 0 0 "[ . 1 . 2 . 3 ]" 1
655 1 63 GLU HA 1 64 ALA HA . . 5.000 4.830 4.767 4.891 . 0 0 "[ . 1 . 2 . 3 ]" 1
656 1 63 GLU HA 1 65 LEU H . . 4.300 4.342 4.317 4.384 0.084 30 0 "[ . 1 . 2 . 3 ]" 1
657 1 63 GLU HA 1 66 LYS H . . 3.800 3.090 2.914 3.424 . 0 0 "[ . 1 . 2 . 3 ]" 1
658 1 63 GLU HA 1 66 LYS QB . . 5.000 2.313 2.130 2.595 . 0 0 "[ . 1 . 2 . 3 ]" 1
659 1 63 GLU HA 1 67 LYS H . . 4.100 4.107 3.938 4.151 0.051 15 0 "[ . 1 . 2 . 3 ]" 1
660 1 63 GLU QG 1 64 ALA H . . 6.900 3.786 3.464 4.027 . 0 0 "[ . 1 . 2 . 3 ]" 1
661 1 63 GLU QG 1 65 LEU H . . 6.000 5.221 4.987 5.348 . 0 0 "[ . 1 . 2 . 3 ]" 1
662 1 63 GLU QG 1 66 LYS H . . 6.900 4.387 4.069 4.826 . 0 0 "[ . 1 . 2 . 3 ]" 1
663 1 64 ALA H 1 64 ALA MB . . 3.000 2.255 2.224 2.294 . 0 0 "[ . 1 . 2 . 3 ]" 1
664 1 64 ALA H 1 65 LEU H . . 3.100 2.773 2.646 2.885 . 0 0 "[ . 1 . 2 . 3 ]" 1
665 1 64 ALA H 1 66 LYS H . . 4.700 4.047 3.934 4.129 . 0 0 "[ . 1 . 2 . 3 ]" 1
666 1 64 ALA H 1 67 LYS H . . 5.300 4.785 4.689 4.916 . 0 0 "[ . 1 . 2 . 3 ]" 1
667 1 64 ALA HA 1 65 LEU HA . . 4.900 4.798 4.743 4.859 . 0 0 "[ . 1 . 2 . 3 ]" 1
668 1 64 ALA HA 1 66 LYS H . . 4.900 4.469 4.360 4.595 . 0 0 "[ . 1 . 2 . 3 ]" 1
669 1 64 ALA MB 1 65 LEU H . . 3.700 2.447 2.353 2.533 . 0 0 "[ . 1 . 2 . 3 ]" 1
670 1 64 ALA MB 1 65 LEU HB2 . . 6.900 4.328 4.202 4.502 . 0 0 "[ . 1 . 2 . 3 ]" 1
671 1 64 ALA MB 1 65 LEU HB3 . . 6.900 5.228 5.144 5.307 . 0 0 "[ . 1 . 2 . 3 ]" 1
672 1 64 ALA MB 1 65 LEU MD1 . . 6.900 4.288 4.015 4.553 . 0 0 "[ . 1 . 2 . 3 ]" 1
673 1 64 ALA MB 1 65 LEU QD . . 6.180 3.750 3.637 3.839 . 0 0 "[ . 1 . 2 . 3 ]" 1
674 1 64 ALA MB 1 65 LEU MD2 . . 6.900 4.159 3.885 4.488 . 0 0 "[ . 1 . 2 . 3 ]" 1
675 1 64 ALA MB 1 65 LEU HG . . 4.700 3.287 3.144 3.434 . 0 0 "[ . 1 . 2 . 3 ]" 1
676 1 64 ALA MB 1 66 LYS H . . 5.300 4.443 4.383 4.476 . 0 0 "[ . 1 . 2 . 3 ]" 1
677 1 65 LEU H 1 65 LEU HB2 . . 3.500 2.289 2.199 2.388 . 0 0 "[ . 1 . 2 . 3 ]" 1
678 1 65 LEU H 1 65 LEU QB . . 3.290 2.262 2.178 2.354 . 0 0 "[ . 1 . 2 . 3 ]" 1
679 1 65 LEU H 1 65 LEU HB3 . . 3.500 3.543 3.514 3.568 0.068 18 0 "[ . 1 . 2 . 3 ]" 1
680 1 65 LEU H 1 65 LEU QD . . 4.890 3.197 3.076 3.278 . 0 0 "[ . 1 . 2 . 3 ]" 1
681 1 65 LEU H 1 65 LEU HG . . 5.300 2.547 2.291 2.712 . 0 0 "[ . 1 . 2 . 3 ]" 1
682 1 65 LEU H 1 66 LYS H . . 3.400 2.610 2.466 2.700 . 0 0 "[ . 1 . 2 . 3 ]" 1
683 1 65 LEU H 1 67 LYS H . . 4.600 4.055 3.887 4.217 . 0 0 "[ . 1 . 2 . 3 ]" 1
684 1 65 LEU HA 1 65 LEU MD1 . . 4.600 3.818 3.744 3.857 . 0 0 "[ . 1 . 2 . 3 ]" 1
685 1 65 LEU HA 1 65 LEU QD . . 4.120 2.083 2.017 2.185 . 0 0 "[ . 1 . 2 . 3 ]" 1
686 1 65 LEU HA 1 65 LEU MD2 . . 4.600 2.093 2.025 2.198 . 0 0 "[ . 1 . 2 . 3 ]" 1
687 1 65 LEU HA 1 66 LYS H . . 3.600 3.560 3.532 3.598 . 0 0 "[ . 1 . 2 . 3 ]" 1
688 1 65 LEU HA 1 66 LYS QB . . 5.900 5.227 5.179 5.295 . 0 0 "[ . 1 . 2 . 3 ]" 1
689 1 65 LEU HA 1 68 SER QB . . 4.180 3.274 2.520 3.799 . 0 0 "[ . 1 . 2 . 3 ]" 1
690 1 65 LEU QB 1 66 LYS H . . 3.260 2.619 2.487 2.761 . 0 0 "[ . 1 . 2 . 3 ]" 1
691 1 65 LEU QB 1 66 LYS QB . . 7.280 3.915 3.770 4.110 . 0 0 "[ . 1 . 2 . 3 ]" 1
692 1 65 LEU HB2 1 66 LYS H . . 3.800 2.703 2.551 2.870 . 0 0 "[ . 1 . 2 . 3 ]" 1
693 1 65 LEU HB3 1 66 LYS H . . 3.800 3.519 3.298 3.723 . 0 0 "[ . 1 . 2 . 3 ]" 1
694 1 65 LEU QD 1 66 LYS H . . 8.470 4.128 4.036 4.220 . 0 0 "[ . 1 . 2 . 3 ]" 1
695 1 65 LEU QD 1 79 MET HA . . 6.520 4.895 4.807 4.936 . 0 0 "[ . 1 . 2 . 3 ]" 1
696 1 65 LEU MD1 1 79 MET HA . . 6.900 5.361 5.115 5.762 . 0 0 "[ . 1 . 2 . 3 ]" 1
697 1 65 LEU MD2 1 79 MET HA . . 6.900 5.680 5.340 5.839 . 0 0 "[ . 1 . 2 . 3 ]" 1
698 1 66 LYS H 1 66 LYS QD . . 5.700 4.419 4.037 4.801 . 0 0 "[ . 1 . 2 . 3 ]" 1
699 1 66 LYS H 1 67 LYS H . . 3.300 2.686 2.572 2.795 . 0 0 "[ . 1 . 2 . 3 ]" 1
700 1 66 LYS H 1 68 SER H . . 5.000 4.483 4.169 4.653 . 0 0 "[ . 1 . 2 . 3 ]" 1
701 1 66 LYS HA 1 66 LYS QD . . 4.800 3.866 2.781 4.180 . 0 0 "[ . 1 . 2 . 3 ]" 1
702 1 66 LYS HA 1 67 LYS H . . 3.500 3.504 3.446 3.528 0.028 17 0 "[ . 1 . 2 . 3 ]" 1
703 1 66 LYS HA 1 67 LYS HA . . 4.800 4.613 4.531 4.702 . 0 0 "[ . 1 . 2 . 3 ]" 1
704 1 66 LYS HA 1 67 LYS QG . . 6.900 5.313 4.632 6.186 . 0 0 "[ . 1 . 2 . 3 ]" 1
705 1 67 LYS H 1 67 LYS QE . . 6.500 5.192 4.290 5.821 . 0 0 "[ . 1 . 2 . 3 ]" 1
706 1 67 LYS H 1 67 LYS QG . . 5.100 3.347 2.692 4.043 . 0 0 "[ . 1 . 2 . 3 ]" 1
707 1 67 LYS H 1 68 SER H . . 3.000 2.927 2.627 3.087 0.087 15 0 "[ . 1 . 2 . 3 ]" 1
708 1 67 LYS HA 1 68 SER H . . 3.600 2.999 2.810 3.237 . 0 0 "[ . 1 . 2 . 3 ]" 1
709 1 67 LYS HA 1 68 SER HA . . 4.800 4.750 4.638 4.834 0.034 1 0 "[ . 1 . 2 . 3 ]" 1
710 1 67 LYS HA 1 68 SER QB . . 6.580 5.069 4.746 5.408 . 0 0 "[ . 1 . 2 . 3 ]" 1
711 1 67 LYS QB 1 68 SER H . . 5.300 3.921 3.718 4.019 . 0 0 "[ . 1 . 2 . 3 ]" 1
712 1 68 SER H 1 68 SER HB2 . . 3.500 2.938 2.240 3.570 0.070 7 0 "[ . 1 . 2 . 3 ]" 1
713 1 68 SER H 1 68 SER QB . . 3.240 2.487 2.216 2.875 . 0 0 "[ . 1 . 2 . 3 ]" 1
714 1 68 SER H 1 68 SER HB3 . . 3.500 3.149 2.635 3.565 0.065 1 0 "[ . 1 . 2 . 3 ]" 1
715 1 68 SER H 1 69 THR H . . 4.600 4.598 4.544 4.636 0.036 7 0 "[ . 1 . 2 . 3 ]" 1
716 1 68 SER H 1 71 LEU H . . 5.800 5.778 5.612 5.913 0.113 15 0 "[ . 1 . 2 . 3 ]" 1
717 1 68 SER HA 1 69 THR H . . 3.200 2.302 2.129 2.492 . 0 0 "[ . 1 . 2 . 3 ]" 1
718 1 68 SER HA 1 69 THR HA . . 5.600 4.386 4.203 4.475 . 0 0 "[ . 1 . 2 . 3 ]" 1
719 1 68 SER HA 1 69 THR MG . . 4.900 3.527 2.855 3.806 . 0 0 "[ . 1 . 2 . 3 ]" 1
720 1 68 SER HA 1 71 LEU H . . 4.700 4.450 4.180 4.739 0.039 30 0 "[ . 1 . 2 . 3 ]" 1
721 1 68 SER QB 1 69 THR MG . . 5.580 3.925 3.481 4.155 . 0 0 "[ . 1 . 2 . 3 ]" 1
722 1 68 SER QB 1 71 LEU H . . 3.700 2.390 2.218 2.607 . 0 0 "[ . 1 . 2 . 3 ]" 1
723 1 68 SER HB2 1 69 THR H . . 4.700 3.228 2.401 4.093 . 0 0 "[ . 1 . 2 . 3 ]" 1
724 1 68 SER HB2 1 71 LEU H . . 3.900 3.084 2.262 3.927 0.027 30 0 "[ . 1 . 2 . 3 ]" 1
725 1 68 SER HB3 1 69 THR H . . 4.700 3.049 2.128 3.973 . 0 0 "[ . 1 . 2 . 3 ]" 1
726 1 68 SER HB3 1 71 LEU H . . 3.900 3.241 2.234 4.050 0.150 2 0 "[ . 1 . 2 . 3 ]" 1
727 1 69 THR H 1 70 ARG H . . 3.400 2.642 2.094 3.399 . 0 0 "[ . 1 . 2 . 3 ]" 1
728 1 69 THR H 1 71 LEU H . . 4.200 2.995 2.585 3.604 . 0 0 "[ . 1 . 2 . 3 ]" 1
729 1 70 ARG H 1 71 LEU H . . 3.000 2.597 2.162 3.020 0.020 30 0 "[ . 1 . 2 . 3 ]" 1
730 1 70 ARG HA 1 70 ARG QD . . 4.800 2.972 2.079 4.059 . 0 0 "[ . 1 . 2 . 3 ]" 1
731 1 70 ARG HA 1 71 LEU H . . 3.600 3.365 3.106 3.547 . 0 0 "[ . 1 . 2 . 3 ]" 1
732 1 70 ARG HA 1 71 LEU QD . . 8.470 4.075 3.615 4.411 . 0 0 "[ . 1 . 2 . 3 ]" 1
733 1 70 ARG HA 1 83 LEU QB . . 6.900 4.446 3.314 5.469 . 0 0 "[ . 1 . 2 . 3 ]" 1
734 1 70 ARG QB 1 71 LEU QB . . 8.650 4.613 4.379 4.970 . 0 0 "[ . 1 . 2 . 3 ]" 1
735 1 71 LEU H 1 71 LEU HB2 . . 3.700 3.030 2.721 3.575 . 0 0 "[ . 1 . 2 . 3 ]" 1
736 1 71 LEU H 1 71 LEU QB . . 3.490 2.905 2.659 3.205 . 0 0 "[ . 1 . 2 . 3 ]" 1
737 1 71 LEU H 1 71 LEU HB3 . . 3.700 3.778 3.585 3.825 0.125 29 0 "[ . 1 . 2 . 3 ]" 1
738 1 71 LEU H 1 71 LEU QD . . 5.140 2.996 2.134 3.318 . 0 0 "[ . 1 . 2 . 3 ]" 1
739 1 71 LEU H 1 71 LEU HG . . 4.200 2.821 2.112 4.249 0.049 10 0 "[ . 1 . 2 . 3 ]" 1
740 1 71 LEU H 1 72 GLN H . . 5.100 4.347 4.266 4.442 . 0 0 "[ . 1 . 2 . 3 ]" 1
741 1 71 LEU H 1 80 VAL QG . . 8.460 4.656 4.328 5.643 . 0 0 "[ . 1 . 2 . 3 ]" 1
742 1 71 LEU HA 1 72 GLN H . . 3.300 2.530 2.359 2.678 . 0 0 "[ . 1 . 2 . 3 ]" 1
743 1 71 LEU HA 1 72 GLN HA . . 4.600 4.563 4.480 4.616 0.016 9 0 "[ . 1 . 2 . 3 ]" 1
744 1 71 LEU QB 1 72 GLN H . . 3.390 2.468 2.230 2.722 . 0 0 "[ . 1 . 2 . 3 ]" 1
745 1 71 LEU QB 1 81 ARG H . . 5.880 3.475 3.025 3.976 . 0 0 "[ . 1 . 2 . 3 ]" 1
746 1 71 LEU QB 1 82 ARG H . . 6.680 4.313 3.563 5.054 . 0 0 "[ . 1 . 2 . 3 ]" 1
747 1 71 LEU HB2 1 72 GLN H . . 3.700 3.026 2.267 3.588 . 0 0 "[ . 1 . 2 . 3 ]" 1
748 1 71 LEU HB3 1 72 GLN H . . 3.700 2.685 2.297 3.308 . 0 0 "[ . 1 . 2 . 3 ]" 1
749 1 71 LEU QD 1 80 VAL QG . . 10.030 2.372 1.916 3.046 . 0 0 "[ . 1 . 2 . 3 ]" 1
750 1 71 LEU QD 1 82 ARG QD . . 8.470 3.930 2.286 4.762 . 0 0 "[ . 1 . 2 . 3 ]" 1
751 1 71 LEU QD 1 90 ILE HB . . 8.470 6.216 5.927 6.348 . 0 0 "[ . 1 . 2 . 3 ]" 1
752 1 71 LEU MD1 1 72 GLN H . . 5.800 4.442 3.916 4.826 . 0 0 "[ . 1 . 2 . 3 ]" 1
753 1 71 LEU MD1 1 81 ARG H . . 6.900 4.990 4.229 5.794 . 0 0 "[ . 1 . 2 . 3 ]" 1
754 1 71 LEU MD1 1 82 ARG H . . 6.900 4.998 3.098 5.784 . 0 0 "[ . 1 . 2 . 3 ]" 1
755 1 71 LEU MD2 1 72 GLN H . . 5.800 4.384 3.830 4.837 . 0 0 "[ . 1 . 2 . 3 ]" 1
756 1 71 LEU MD2 1 81 ARG H . . 6.900 5.279 3.632 5.804 . 0 0 "[ . 1 . 2 . 3 ]" 1
757 1 71 LEU MD2 1 82 ARG H . . 6.900 4.344 2.764 5.801 . 0 0 "[ . 1 . 2 . 3 ]" 1
758 1 72 GLN H 1 73 VAL H . . 4.300 4.180 3.999 4.316 0.016 14 0 "[ . 1 . 2 . 3 ]" 1
759 1 72 GLN H 1 80 VAL QG . . 6.560 2.642 2.255 3.954 . 0 0 "[ . 1 . 2 . 3 ]" 1
760 1 72 GLN H 1 81 ARG H . . 3.200 2.484 2.298 2.772 . 0 0 "[ . 1 . 2 . 3 ]" 1
761 1 72 GLN H 1 81 ARG QB . . 6.900 4.200 3.333 4.705 . 0 0 "[ . 1 . 2 . 3 ]" 1
762 1 72 GLN HA 1 73 VAL H . . 3.000 2.184 2.131 2.244 . 0 0 "[ . 1 . 2 . 3 ]" 1
763 1 72 GLN HA 1 73 VAL HA . . 5.100 4.432 4.364 4.474 . 0 0 "[ . 1 . 2 . 3 ]" 1
764 1 72 GLN HA 1 73 VAL HB . . 4.500 4.430 4.233 4.530 0.030 20 0 "[ . 1 . 2 . 3 ]" 1
765 1 72 GLN HA 1 73 VAL QG . . 8.360 3.856 3.389 4.034 . 0 0 "[ . 1 . 2 . 3 ]" 1
766 1 72 GLN QB 1 73 VAL QG . . 8.460 4.601 4.186 4.986 . 0 0 "[ . 1 . 2 . 3 ]" 1
767 1 72 GLN QB 1 81 ARG H . . 6.900 3.648 3.333 4.361 . 0 0 "[ . 1 . 2 . 3 ]" 1
768 1 73 VAL H 1 73 VAL HB . . 3.200 2.614 2.226 2.908 . 0 0 "[ . 1 . 2 . 3 ]" 1
769 1 73 VAL H 1 74 SER H . . 4.500 4.522 4.494 4.545 0.045 17 0 "[ . 1 . 2 . 3 ]" 1
770 1 73 VAL H 1 80 VAL HA . . 4.800 4.519 4.420 4.703 . 0 0 "[ . 1 . 2 . 3 ]" 1
771 1 73 VAL H 1 81 ARG H . . 4.800 4.878 4.838 4.953 0.153 31 0 "[ . 1 . 2 . 3 ]" 1
772 1 73 VAL HA 1 74 SER H . . 3.200 2.205 2.153 2.255 . 0 0 "[ . 1 . 2 . 3 ]" 1
773 1 73 VAL HA 1 74 SER HA . . 4.900 4.430 4.381 4.523 . 0 0 "[ . 1 . 2 . 3 ]" 1
774 1 73 VAL HA 1 80 VAL HA . . 4.400 2.038 1.975 2.226 . 0 0 "[ . 1 . 2 . 3 ]" 1
775 1 73 VAL HA 1 80 VAL HB . . 6.900 2.987 2.256 4.657 . 0 0 "[ . 1 . 2 . 3 ]" 1
776 1 73 VAL HB 1 74 SER H . . 4.700 4.149 4.009 4.344 . 0 0 "[ . 1 . 2 . 3 ]" 1
777 1 73 VAL HB 1 74 SER HB2 . . 6.900 6.557 6.068 6.815 . 0 0 "[ . 1 . 2 . 3 ]" 1
778 1 73 VAL HB 1 74 SER HB3 . . 6.900 6.516 6.117 6.959 0.059 2 0 "[ . 1 . 2 . 3 ]" 1
779 1 73 VAL QG 1 74 SER H . . 7.360 2.358 2.138 2.674 . 0 0 "[ . 1 . 2 . 3 ]" 1
780 1 74 SER H 1 74 SER HB2 . . 4.000 2.553 2.101 3.211 . 0 0 "[ . 1 . 2 . 3 ]" 1
781 1 74 SER H 1 74 SER QB . . 3.700 2.299 2.071 2.976 . 0 0 "[ . 1 . 2 . 3 ]" 1
782 1 74 SER H 1 74 SER HB3 . . 4.000 2.725 2.375 4.003 0.003 13 0 "[ . 1 . 2 . 3 ]" 1
783 1 74 SER H 1 75 GLU H . . 4.800 4.587 4.200 4.695 . 0 0 "[ . 1 . 2 . 3 ]" 1
784 1 74 SER H 1 77 GLY H . . 4.600 3.924 3.678 4.211 . 0 0 "[ . 1 . 2 . 3 ]" 1
785 1 74 SER H 1 78 LYS H . . 5.000 4.684 4.332 5.063 0.063 3 0 "[ . 1 . 2 . 3 ]" 1
786 1 74 SER H 1 79 MET H . . 3.600 3.402 3.254 3.596 . 0 0 "[ . 1 . 2 . 3 ]" 1
787 1 74 SER H 1 80 VAL H . . 5.000 4.861 4.587 4.982 . 0 0 "[ . 1 . 2 . 3 ]" 1
788 1 74 SER H 1 81 ARG H . . 5.000 5.037 5.003 5.087 0.087 30 0 "[ . 1 . 2 . 3 ]" 1
789 1 74 SER HA 1 75 GLU H . . 3.300 2.396 2.263 2.853 . 0 0 "[ . 1 . 2 . 3 ]" 1
790 1 74 SER HA 1 76 ASP H . . 4.000 3.951 3.771 4.093 0.093 13 0 "[ . 1 . 2 . 3 ]" 1
791 1 74 SER HA 1 77 GLY H . . 4.500 4.490 3.279 4.681 0.181 18 0 "[ . 1 . 2 . 3 ]" 1
792 1 74 SER QB 1 76 ASP H . . 5.080 2.755 2.069 4.634 . 0 0 "[ . 1 . 2 . 3 ]" 1
793 1 74 SER QB 1 77 GLY H . . 5.280 3.211 2.804 4.786 . 0 0 "[ . 1 . 2 . 3 ]" 1
794 1 75 GLU H 1 76 ASP H . . 3.700 2.784 2.578 3.666 . 0 0 "[ . 1 . 2 . 3 ]" 1
795 1 75 GLU H 1 77 GLY H . . 4.600 4.241 4.138 4.373 . 0 0 "[ . 1 . 2 . 3 ]" 1
796 1 75 GLU HA 1 76 ASP H . . 3.600 3.503 3.455 3.544 . 0 0 "[ . 1 . 2 . 3 ]" 1
797 1 75 GLU HA 1 76 ASP HA . . 5.000 4.781 4.704 4.883 . 0 0 "[ . 1 . 2 . 3 ]" 1
798 1 75 GLU QB 1 76 ASP HA . . 6.800 4.166 3.990 4.608 . 0 0 "[ . 1 . 2 . 3 ]" 1
799 1 75 GLU QB 1 76 ASP HB2 . . 6.900 4.557 3.303 5.360 . 0 0 "[ . 1 . 2 . 3 ]" 1
800 1 75 GLU QB 1 76 ASP HB3 . . 6.900 5.380 3.469 5.977 . 0 0 "[ . 1 . 2 . 3 ]" 1
801 1 75 GLU QG 1 76 ASP H . . 6.900 4.367 2.589 4.719 . 0 0 "[ . 1 . 2 . 3 ]" 1
802 1 76 ASP H 1 76 ASP HB2 . . 3.600 2.426 2.049 3.441 . 0 0 "[ . 1 . 2 . 3 ]" 1
803 1 76 ASP H 1 76 ASP HB3 . . 3.600 2.972 2.436 3.588 . 0 0 "[ . 1 . 2 . 3 ]" 1
804 1 76 ASP H 1 77 GLY H . . 3.200 2.444 1.972 2.698 . 0 0 "[ . 1 . 2 . 3 ]" 1
805 1 76 ASP H 1 78 LYS H . . 4.100 3.854 2.364 4.116 0.016 3 0 "[ . 1 . 2 . 3 ]" 1
806 1 76 ASP H 1 79 MET H . . 4.800 4.772 3.611 4.953 0.153 26 0 "[ . 1 . 2 . 3 ]" 1
807 1 76 ASP HA 1 77 GLY HA2 . . 5.800 5.328 5.020 5.403 . 0 0 "[ . 1 . 2 . 3 ]" 1
808 1 76 ASP HA 1 77 GLY QA . . 5.390 4.405 4.226 4.496 . 0 0 "[ . 1 . 2 . 3 ]" 1
809 1 76 ASP HA 1 77 GLY HA3 . . 5.800 4.697 4.547 4.812 . 0 0 "[ . 1 . 2 . 3 ]" 1
810 1 76 ASP QB 1 77 GLY QA . . 7.550 4.105 3.783 4.535 . 0 0 "[ . 1 . 2 . 3 ]" 1
811 1 76 ASP HB2 1 77 GLY H . . 5.300 3.760 2.743 4.680 . 0 0 "[ . 1 . 2 . 3 ]" 1
812 1 76 ASP HB3 1 77 GLY H . . 5.300 3.400 2.803 4.160 . 0 0 "[ . 1 . 2 . 3 ]" 1
813 1 77 GLY H 1 78 LYS H . . 3.400 2.694 2.540 2.928 . 0 0 "[ . 1 . 2 . 3 ]" 1
814 1 77 GLY H 1 79 MET H . . 3.800 3.669 3.376 3.819 0.019 25 0 "[ . 1 . 2 . 3 ]" 1
815 1 77 GLY QA 1 78 LYS HA . . 6.380 4.061 3.970 4.120 . 0 0 "[ . 1 . 2 . 3 ]" 1
816 1 77 GLY QA 1 79 MET H . . 5.080 3.461 3.183 3.735 . 0 0 "[ . 1 . 2 . 3 ]" 1
817 1 78 LYS H 1 78 LYS QD . . 6.100 3.883 2.346 4.816 . 0 0 "[ . 1 . 2 . 3 ]" 1
818 1 78 LYS H 1 78 LYS QE . . 6.800 4.877 3.404 5.878 . 0 0 "[ . 1 . 2 . 3 ]" 1
819 1 78 LYS H 1 79 MET H . . 3.200 2.166 1.972 2.671 . 0 0 "[ . 1 . 2 . 3 ]" 1
820 1 78 LYS HA 1 78 LYS QD . . 5.000 3.366 2.226 4.249 . 0 0 "[ . 1 . 2 . 3 ]" 1
821 1 78 LYS HA 1 78 LYS QE . . 4.800 3.734 2.048 4.337 . 0 0 "[ . 1 . 2 . 3 ]" 1
822 1 78 LYS QB 1 79 MET H . . 5.200 3.510 3.268 3.714 . 0 0 "[ . 1 . 2 . 3 ]" 1
823 1 78 LYS QB 1 79 MET HA . . 6.000 4.513 4.337 4.674 . 0 0 "[ . 1 . 2 . 3 ]" 1
824 1 78 LYS QB 1 79 MET HB2 . . 6.900 4.853 4.121 5.468 . 0 0 "[ . 1 . 2 . 3 ]" 1
825 1 78 LYS QB 1 79 MET HB3 . . 6.900 4.891 3.870 5.681 . 0 0 "[ . 1 . 2 . 3 ]" 1
826 1 78 LYS QB 1 79 MET QG . . 6.900 3.880 2.885 4.780 . 0 0 "[ . 1 . 2 . 3 ]" 1
827 1 79 MET H 1 79 MET QB . . 3.860 2.984 2.717 3.353 . 0 0 "[ . 1 . 2 . 3 ]" 1
828 1 79 MET H 1 80 VAL H . . 4.900 4.353 4.231 4.448 . 0 0 "[ . 1 . 2 . 3 ]" 1
829 1 79 MET HA 1 80 VAL H . . 3.300 2.309 2.189 2.432 . 0 0 "[ . 1 . 2 . 3 ]" 1
830 1 79 MET HA 1 80 VAL MG1 . . 6.900 3.677 3.083 5.261 . 0 0 "[ . 1 . 2 . 3 ]" 1
831 1 79 MET HA 1 80 VAL MG2 . . 6.900 4.819 2.763 5.459 . 0 0 "[ . 1 . 2 . 3 ]" 1
832 1 79 MET QB 1 80 VAL H . . 3.810 2.706 2.396 2.960 . 0 0 "[ . 1 . 2 . 3 ]" 1
833 1 79 MET QB 1 80 VAL HA . . 6.780 4.075 3.706 4.478 . 0 0 "[ . 1 . 2 . 3 ]" 1
834 1 79 MET QB 1 80 VAL HB . . 7.780 5.233 4.904 5.914 . 0 0 "[ . 1 . 2 . 3 ]" 1
835 1 79 MET HB2 1 80 VAL H . . 4.200 3.491 2.422 4.191 . 0 0 "[ . 1 . 2 . 3 ]" 1
836 1 79 MET HB3 1 80 VAL H . . 4.200 3.214 2.501 4.080 . 0 0 "[ . 1 . 2 . 3 ]" 1
837 1 80 VAL H 1 80 VAL HB . . 3.600 3.373 2.753 3.752 0.152 14 0 "[ . 1 . 2 . 3 ]" 1
838 1 80 VAL H 1 81 ARG H . . 4.500 4.280 4.149 4.433 . 0 0 "[ . 1 . 2 . 3 ]" 1
839 1 80 VAL HA 1 81 ARG H . . 3.100 2.291 2.177 2.422 . 0 0 "[ . 1 . 2 . 3 ]" 1
840 1 80 VAL HB 1 81 ARG H . . 4.000 3.742 2.436 4.060 0.060 10 0 "[ . 1 . 2 . 3 ]" 1
841 1 80 VAL HB 1 81 ARG QD . . 6.900 5.324 4.352 6.170 . 0 0 "[ . 1 . 2 . 3 ]" 1
842 1 80 VAL QG 1 81 ARG H . . 4.310 2.341 1.996 3.227 . 0 0 "[ . 1 . 2 . 3 ]" 1
843 1 80 VAL QG 1 82 ARG H . . 7.560 4.379 4.021 5.292 . 0 0 "[ . 1 . 2 . 3 ]" 1
844 1 80 VAL MG1 1 81 ARG H . . 5.100 3.619 2.147 4.095 . 0 0 "[ . 1 . 2 . 3 ]" 1
845 1 80 VAL MG2 1 81 ARG H . . 5.100 2.698 2.008 4.290 . 0 0 "[ . 1 . 2 . 3 ]" 1
846 1 81 ARG H 1 82 ARG H . . 4.700 4.423 4.274 4.555 . 0 0 "[ . 1 . 2 . 3 ]" 1
847 1 81 ARG HA 1 82 ARG HA . . 5.700 4.409 4.309 4.505 . 0 0 "[ . 1 . 2 . 3 ]" 1
848 1 81 ARG HA 1 82 ARG QB . . 6.580 4.396 4.025 4.939 . 0 0 "[ . 1 . 2 . 3 ]" 1
849 1 81 ARG QB 1 82 ARG H . . 4.300 2.946 2.457 3.853 . 0 0 "[ . 1 . 2 . 3 ]" 1
850 1 81 ARG QB 1 82 ARG HA . . 6.400 4.552 4.043 4.991 . 0 0 "[ . 1 . 2 . 3 ]" 1
851 1 81 ARG QB 1 82 ARG QB . . 7.780 4.907 4.331 5.575 . 0 0 "[ . 1 . 2 . 3 ]" 1
852 1 81 ARG QB 1 82 ARG QD . . 6.900 5.173 3.579 5.575 . 0 0 "[ . 1 . 2 . 3 ]" 1
853 1 81 ARG QB 1 82 ARG QG . . 6.900 4.312 3.655 5.539 . 0 0 "[ . 1 . 2 . 3 ]" 1
854 1 82 ARG H 1 82 ARG QB . . 3.910 2.671 2.351 3.179 . 0 0 "[ . 1 . 2 . 3 ]" 1
855 1 82 ARG QB 1 83 LEU QB . . 7.780 4.137 3.570 4.832 . 0 0 "[ . 1 . 2 . 3 ]" 1
856 1 82 ARG QB 1 83 LEU QD . . 7.250 4.034 2.593 4.850 . 0 0 "[ . 1 . 2 . 3 ]" 1
857 1 82 ARG QB 1 83 LEU HG . . 7.780 4.726 3.797 5.514 . 0 0 "[ . 1 . 2 . 3 ]" 1
858 1 82 ARG HB2 1 83 LEU H . . 4.300 2.328 1.984 3.424 . 0 0 "[ . 1 . 2 . 3 ]" 1
859 1 82 ARG HB3 1 83 LEU H . . 4.300 3.396 2.052 3.919 . 0 0 "[ . 1 . 2 . 3 ]" 1
860 1 83 LEU H 1 83 LEU HA . . 2.900 2.933 2.906 2.961 0.061 15 0 "[ . 1 . 2 . 3 ]" 1
861 1 83 LEU H 1 83 LEU HG . . 3.900 3.114 2.152 3.921 0.021 12 0 "[ . 1 . 2 . 3 ]" 1
862 1 85 PRO HA 1 86 LEU QD . . 6.970 3.721 3.080 4.923 . 0 0 "[ . 1 . 2 . 3 ]" 1
863 1 86 LEU H 1 86 LEU HG . . 4.300 3.279 2.213 4.378 0.078 25 0 "[ . 1 . 2 . 3 ]" 1
864 1 88 GLU QB 1 89 ASN HB2 . . 6.900 4.469 3.982 4.898 . 0 0 "[ . 1 . 2 . 3 ]" 1
865 1 88 GLU QB 1 89 ASN HB3 . . 6.900 5.846 5.144 6.180 . 0 0 "[ . 1 . 2 . 3 ]" 1
866 1 89 ASN H 1 89 ASN QB . . 3.860 3.323 3.202 3.441 . 0 0 "[ . 1 . 2 . 3 ]" 1
867 1 89 ASN H 1 90 ILE H . . 3.200 3.042 2.745 3.244 0.044 22 0 "[ . 1 . 2 . 3 ]" 1
868 1 89 ASN HA 1 90 ILE HB . . 5.000 5.006 4.764 5.103 0.103 1 0 "[ . 1 . 2 . 3 ]" 1
869 1 89 ASN QB 1 90 ILE HA . . 4.620 4.204 4.137 4.245 . 0 0 "[ . 1 . 2 . 3 ]" 1
870 1 89 ASN QB 1 90 ILE HB . . 6.540 5.542 4.281 5.825 . 0 0 "[ . 1 . 2 . 3 ]" 1
871 1 89 ASN HB2 1 90 ILE HA . . 4.800 4.699 4.501 4.860 0.060 22 0 "[ . 1 . 2 . 3 ]" 1
872 1 89 ASN HB2 1 90 ILE HB . . 6.800 6.116 4.506 6.471 . 0 0 "[ . 1 . 2 . 3 ]" 1
873 1 89 ASN HB3 1 90 ILE HA . . 4.800 4.748 4.543 4.835 0.035 20 0 "[ . 1 . 2 . 3 ]" 1
874 1 89 ASN HB3 1 90 ILE HB . . 6.800 6.361 5.344 6.630 . 0 0 "[ . 1 . 2 . 3 ]" 1
875 1 90 ILE H 1 90 ILE HB . . 4.000 2.447 2.229 3.237 . 0 0 "[ . 1 . 2 . 3 ]" 1
876 1 90 ILE H 1 91 ASP H . . 6.500 4.539 4.272 4.686 . 0 0 "[ . 1 . 2 . 3 ]" 1
877 1 90 ILE HA 1 91 ASP H . . 3.300 2.303 2.046 2.543 . 0 0 "[ . 1 . 2 . 3 ]" 1
878 1 90 ILE HA 1 91 ASP HA . . 5.500 4.481 4.233 4.615 . 0 0 "[ . 1 . 2 . 3 ]" 1
879 1 90 ILE HB 1 91 ASP H . . 4.300 4.165 3.850 4.358 0.058 22 0 "[ . 1 . 2 . 3 ]" 1
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