Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
324753 | 2aav RC | 6730 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2aav
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 902
_Distance_constraint_stats_list.Viol_count 663
_Distance_constraint_stats_list.Viol_total 1037.149
_Distance_constraint_stats_list.Viol_max 0.526
_Distance_constraint_stats_list.Viol_rms 0.0205
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0029
_Distance_constraint_stats_list.Viol_average_violations_only 0.0782
_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 9 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 VAL 1.299 0.100 7 0 "[ . 1 . 2]"
1 11 THR 1.309 0.163 4 0 "[ . 1 . 2]"
1 12 ALA 1.502 0.163 4 0 "[ . 1 . 2]"
1 13 TYR 0.145 0.045 9 0 "[ . 1 . 2]"
1 14 GLY 0.557 0.096 20 0 "[ . 1 . 2]"
1 15 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 LEU 1.491 0.131 1 0 "[ . 1 . 2]"
1 18 THR 0.032 0.032 1 0 "[ . 1 . 2]"
1 19 HIS 0.240 0.054 3 0 "[ . 1 . 2]"
1 20 GLY 0.114 0.048 11 0 "[ . 1 . 2]"
1 21 VAL 0.739 0.122 14 0 "[ . 1 . 2]"
1 22 VAL 0.135 0.070 20 0 "[ . 1 . 2]"
1 23 ASN 0.552 0.101 6 0 "[ . 1 . 2]"
1 24 LYS 5.868 0.453 8 0 "[ . 1 . 2]"
1 25 PRO 5.365 0.453 8 0 "[ . 1 . 2]"
1 26 ALA 0.075 0.038 9 0 "[ . 1 . 2]"
1 27 THR 1.119 0.149 13 0 "[ . 1 . 2]"
1 28 PHE 0.926 0.119 12 0 "[ . 1 . 2]"
1 29 THR 0.180 0.045 9 0 "[ . 1 . 2]"
1 30 VAL 5.736 0.526 3 1 "[ + . 1 . 2]"
1 31 ASN 1.030 0.148 15 0 "[ . 1 . 2]"
1 32 THR 2.284 0.198 15 0 "[ . 1 . 2]"
1 33 LYS 1.504 0.198 15 0 "[ . 1 . 2]"
1 34 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ALA 0.117 0.052 2 0 "[ . 1 . 2]"
1 36 GLY 0.068 0.052 2 0 "[ . 1 . 2]"
1 37 GLU 1.690 0.196 2 0 "[ . 1 . 2]"
1 38 GLY 1.459 0.196 2 0 "[ . 1 . 2]"
1 39 GLY 0.089 0.059 18 0 "[ . 1 . 2]"
1 40 LEU 0.166 0.059 18 0 "[ . 1 . 2]"
1 41 SER 0.519 0.287 4 0 "[ . 1 . 2]"
1 42 LEU 1.773 0.287 4 0 "[ . 1 . 2]"
1 43 ALA 0.074 0.074 8 0 "[ . 1 . 2]"
1 44 ILE 0.603 0.087 13 0 "[ . 1 . 2]"
1 45 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 SER 0.433 0.096 11 0 "[ . 1 . 2]"
1 49 LYS 0.433 0.096 11 0 "[ . 1 . 2]"
1 50 ALA 0.497 0.078 13 0 "[ . 1 . 2]"
1 51 GLU 0.226 0.175 1 0 "[ . 1 . 2]"
1 52 ILE 0.323 0.175 1 0 "[ . 1 . 2]"
1 53 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 THR 2.521 0.177 8 0 "[ . 1 . 2]"
1 56 ASP 0.066 0.057 8 0 "[ . 1 . 2]"
1 57 ASN 1.760 0.188 5 0 "[ . 1 . 2]"
1 58 GLN 1.697 0.188 5 0 "[ . 1 . 2]"
1 59 ASP 0.434 0.082 13 0 "[ . 1 . 2]"
1 60 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 THR 0.767 0.095 4 0 "[ . 1 . 2]"
1 62 CYS 4.958 0.526 3 1 "[ + . 1 . 2]"
1 63 SER 2.510 0.177 8 0 "[ . 1 . 2]"
1 64 VAL 1.297 0.130 20 0 "[ . 1 . 2]"
1 65 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 TYR 1.061 0.149 13 0 "[ . 1 . 2]"
1 67 LEU 0.794 0.135 8 0 "[ . 1 . 2]"
1 68 PRO 0.021 0.021 19 0 "[ . 1 . 2]"
1 69 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 LEU 0.533 0.101 15 0 "[ . 1 . 2]"
1 71 PRO 0.032 0.032 18 0 "[ . 1 . 2]"
1 72 GLY 0.227 0.144 7 0 "[ . 1 . 2]"
1 73 ASP 0.003 0.003 19 0 "[ . 1 . 2]"
1 74 TYR 0.319 0.101 15 0 "[ . 1 . 2]"
1 75 SER 0.785 0.147 7 0 "[ . 1 . 2]"
1 76 ILE 1.498 0.131 1 0 "[ . 1 . 2]"
1 77 LEU 0.563 0.097 5 0 "[ . 1 . 2]"
1 78 VAL 0.511 0.073 4 0 "[ . 1 . 2]"
1 79 LYS 0.292 0.073 12 0 "[ . 1 . 2]"
1 80 TYR 1.798 0.228 8 0 "[ . 1 . 2]"
1 81 ASN 0.477 0.228 8 0 "[ . 1 . 2]"
1 82 GLU 0.266 0.069 10 0 "[ . 1 . 2]"
1 83 GLN 0.528 0.109 8 0 "[ . 1 . 2]"
1 84 HIS 0.301 0.097 5 0 "[ . 1 . 2]"
1 85 VAL 11.977 0.292 17 0 "[ . 1 . 2]"
1 86 PRO 10.449 0.292 17 0 "[ . 1 . 2]"
1 87 GLY 1.387 0.270 17 0 "[ . 1 . 2]"
1 88 SER 0.571 0.073 4 0 "[ . 1 . 2]"
1 89 PRO 0.321 0.072 2 0 "[ . 1 . 2]"
1 90 PHE 0.291 0.078 16 0 "[ . 1 . 2]"
1 91 THR 1.322 0.147 7 0 "[ . 1 . 2]"
1 92 ALA 0.385 0.116 3 0 "[ . 1 . 2]"
1 93 ARG 1.757 0.168 7 0 "[ . 1 . 2]"
1 94 VAL 2.216 0.168 7 0 "[ . 1 . 2]"
1 95 THR 1.122 0.125 2 0 "[ . 1 . 2]"
1 96 GLY 0.983 0.125 2 0 "[ . 1 . 2]"
1 97 ASP 0.028 0.023 13 0 "[ . 1 . 2]"
1 98 ASP 0.006 0.006 13 0 "[ . 1 . 2]"
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 9 HIS HA 1 9 HIS HD2 . . 5.300 3.728 2.378 4.941 . 0 0 "[ . 1 . 2]" 1
2 1 10 VAL HA 1 10 VAL MG1 . . 3.470 3.171 2.449 3.284 . 0 0 "[ . 1 . 2]" 1
3 1 10 VAL HA 1 10 VAL QG . . 2.970 2.330 2.205 2.434 . 0 0 "[ . 1 . 2]" 1
4 1 10 VAL HA 1 10 VAL MG2 . . 3.470 2.466 2.243 3.250 . 0 0 "[ . 1 . 2]" 1
5 1 10 VAL HA 1 11 THR H . . 3.190 2.185 1.950 2.709 . 0 0 "[ . 1 . 2]" 1
6 1 10 VAL HA 1 32 THR MG . . 4.510 4.372 2.845 4.600 0.090 19 0 "[ . 1 . 2]" 1
7 1 10 VAL HB 1 32 THR HA . . 5.180 2.623 2.246 2.936 . 0 0 "[ . 1 . 2]" 1
8 1 10 VAL HB 1 32 THR MG . . 3.630 3.376 2.428 3.681 0.051 16 0 "[ . 1 . 2]" 1
9 1 10 VAL HB 1 33 LYS H . . 5.130 4.573 3.407 5.201 0.071 6 0 "[ . 1 . 2]" 1
10 1 10 VAL HB 1 80 TYR HH . . 5.420 5.096 4.272 5.520 0.100 7 0 "[ . 1 . 2]" 1
11 1 10 VAL QG 1 11 THR H . . 3.620 2.695 2.198 3.657 0.037 4 0 "[ . 1 . 2]" 1
12 1 10 VAL QG 1 30 VAL QG . . 4.440 3.543 2.389 3.907 . 0 0 "[ . 1 . 2]" 1
13 1 10 VAL QG 1 32 THR HA . . 3.570 2.335 1.960 3.305 . 0 0 "[ . 1 . 2]" 1
14 1 10 VAL QG 1 32 THR HB . . 4.440 3.726 2.525 4.019 . 0 0 "[ . 1 . 2]" 1
15 1 10 VAL QG 1 32 THR MG . . 3.130 2.151 1.983 2.409 . 0 0 "[ . 1 . 2]" 1
16 1 10 VAL QG 1 33 LYS H . . 4.610 4.092 2.480 4.605 . 0 0 "[ . 1 . 2]" 1
17 1 10 VAL QG 1 35 ALA HA . . 5.130 3.922 3.350 4.432 . 0 0 "[ . 1 . 2]" 1
18 1 10 VAL QG 1 35 ALA MB . . 3.280 2.512 1.898 3.241 . 0 0 "[ . 1 . 2]" 1
19 1 10 VAL QG 1 80 TYR QB . . 4.140 2.861 2.282 3.531 . 0 0 "[ . 1 . 2]" 1
20 1 10 VAL QG 1 80 TYR QD . . 3.960 2.622 2.396 3.075 . 0 0 "[ . 1 . 2]" 1
21 1 10 VAL QG 1 80 TYR QE . . 4.610 2.827 2.177 3.241 . 0 0 "[ . 1 . 2]" 1
22 1 10 VAL QG 1 80 TYR HH . . 4.770 3.850 2.633 4.413 . 0 0 "[ . 1 . 2]" 1
23 1 10 VAL MG1 1 11 THR H . . 4.140 3.985 3.576 4.116 . 0 0 "[ . 1 . 2]" 1
24 1 10 VAL MG1 1 32 THR HA . . 4.340 3.909 1.996 4.387 0.047 8 0 "[ . 1 . 2]" 1
25 1 10 VAL MG1 1 80 TYR QD . . 5.130 3.215 2.745 4.892 . 0 0 "[ . 1 . 2]" 1
26 1 10 VAL MG2 1 11 THR H . . 4.140 2.770 2.218 4.208 0.068 4 0 "[ . 1 . 2]" 1
27 1 10 VAL MG2 1 32 THR HA . . 4.340 2.450 1.988 3.426 . 0 0 "[ . 1 . 2]" 1
28 1 10 VAL MG2 1 80 TYR QD . . 5.130 2.885 2.477 3.506 . 0 0 "[ . 1 . 2]" 1
29 1 11 THR H 1 12 ALA H . . 4.820 4.403 4.131 4.553 . 0 0 "[ . 1 . 2]" 1
30 1 11 THR H 1 12 ALA MB . . 5.050 5.041 4.923 5.145 0.095 15 0 "[ . 1 . 2]" 1
31 1 11 THR H 1 31 ASN H . . 4.180 3.480 2.851 4.297 0.117 12 0 "[ . 1 . 2]" 1
32 1 11 THR HA 1 11 THR MG . . 3.670 2.365 2.274 2.486 . 0 0 "[ . 1 . 2]" 1
33 1 11 THR HA 1 12 ALA H . . 3.110 2.389 2.149 2.677 . 0 0 "[ . 1 . 2]" 1
34 1 11 THR HB 1 12 ALA H . . 3.700 2.803 2.052 3.863 0.163 4 0 "[ . 1 . 2]" 1
35 1 11 THR HB 1 13 TYR QD . . 4.380 3.358 2.795 4.149 . 0 0 "[ . 1 . 2]" 1
36 1 11 THR MG 1 12 ALA H . . 4.060 3.151 1.975 3.721 . 0 0 "[ . 1 . 2]" 1
37 1 11 THR MG 1 13 TYR QD . . 5.060 4.132 2.460 5.096 0.036 19 0 "[ . 1 . 2]" 1
38 1 12 ALA H 1 30 VAL QG . . 4.940 4.003 2.762 4.774 . 0 0 "[ . 1 . 2]" 1
39 1 12 ALA HA 1 13 TYR H . . 3.170 2.189 2.089 2.264 . 0 0 "[ . 1 . 2]" 1
40 1 12 ALA HA 1 13 TYR QD . . 4.740 3.488 3.020 3.948 . 0 0 "[ . 1 . 2]" 1
41 1 12 ALA HA 1 29 THR MG . . 5.500 4.882 4.513 5.182 . 0 0 "[ . 1 . 2]" 1
42 1 12 ALA HA 1 30 VAL HA . . 3.270 2.461 2.021 2.667 . 0 0 "[ . 1 . 2]" 1
43 1 12 ALA HA 1 30 VAL QG . . 4.350 2.392 1.947 3.012 . 0 0 "[ . 1 . 2]" 1
44 1 12 ALA HA 1 31 ASN H . . 4.100 4.027 3.789 4.248 0.148 15 0 "[ . 1 . 2]" 1
45 1 12 ALA MB 1 13 TYR H . . 3.830 3.017 2.648 3.272 . 0 0 "[ . 1 . 2]" 1
46 1 12 ALA MB 1 13 TYR QD . . 5.460 4.593 4.361 4.759 . 0 0 "[ . 1 . 2]" 1
47 1 12 ALA MB 1 17 LEU MD1 . . 4.060 2.462 2.129 3.024 . 0 0 "[ . 1 . 2]" 1
48 1 12 ALA MB 1 17 LEU QD . . 3.340 2.368 2.075 2.880 . 0 0 "[ . 1 . 2]" 1
49 1 12 ALA MB 1 17 LEU MD2 . . 4.060 3.137 2.654 3.663 . 0 0 "[ . 1 . 2]" 1
50 1 12 ALA MB 1 17 LEU HG . . 5.080 4.522 4.151 5.107 0.027 10 0 "[ . 1 . 2]" 1
51 1 12 ALA MB 1 30 VAL QG . . 4.100 2.028 1.953 2.328 . 0 0 "[ . 1 . 2]" 1
52 1 12 ALA MB 1 76 ILE MG . . 5.500 4.280 3.751 4.842 . 0 0 "[ . 1 . 2]" 1
53 1 12 ALA MB 1 78 VAL QG . . 4.570 2.361 1.952 3.068 . 0 0 "[ . 1 . 2]" 1
54 1 12 ALA MB 1 90 PHE QE . . 4.120 2.850 2.415 3.419 . 0 0 "[ . 1 . 2]" 1
55 1 12 ALA MB 1 90 PHE HZ . . 4.350 3.516 2.658 4.324 . 0 0 "[ . 1 . 2]" 1
56 1 13 TYR H 1 13 TYR QD . . 4.020 3.097 2.804 3.422 . 0 0 "[ . 1 . 2]" 1
57 1 13 TYR H 1 17 LEU QD . . 4.160 3.124 2.886 3.583 . 0 0 "[ . 1 . 2]" 1
58 1 13 TYR H 1 28 PHE QB . . 4.240 3.836 3.526 4.206 . 0 0 "[ . 1 . 2]" 1
59 1 13 TYR H 1 29 THR H . . 4.060 3.282 2.931 3.465 . 0 0 "[ . 1 . 2]" 1
60 1 13 TYR H 1 29 THR HB . . 4.230 3.690 3.287 4.275 0.045 9 0 "[ . 1 . 2]" 1
61 1 13 TYR H 1 29 THR MG . . 4.960 4.434 4.211 4.744 . 0 0 "[ . 1 . 2]" 1
62 1 13 TYR H 1 30 VAL HA . . 4.560 3.712 3.197 3.967 . 0 0 "[ . 1 . 2]" 1
63 1 13 TYR H 1 30 VAL QG . . 5.320 3.605 2.850 4.142 . 0 0 "[ . 1 . 2]" 1
64 1 13 TYR HA 1 13 TYR QD . . 4.340 3.778 3.738 3.811 . 0 0 "[ . 1 . 2]" 1
65 1 13 TYR HA 1 14 GLY H . . 3.350 2.351 2.221 2.526 . 0 0 "[ . 1 . 2]" 1
66 1 13 TYR HA 1 17 LEU QD . . 3.760 2.285 2.063 2.518 . 0 0 "[ . 1 . 2]" 1
67 1 13 TYR QB 1 14 GLY H . . 3.620 2.508 2.260 2.753 . 0 0 "[ . 1 . 2]" 1
68 1 13 TYR HB2 1 14 GLY H . . 4.370 2.548 2.284 2.827 . 0 0 "[ . 1 . 2]" 1
69 1 13 TYR HB3 1 14 GLY H . . 4.370 3.774 3.530 3.889 . 0 0 "[ . 1 . 2]" 1
70 1 13 TYR QD 1 14 GLY H . . 4.740 3.624 3.103 4.125 . 0 0 "[ . 1 . 2]" 1
71 1 13 TYR QD 1 14 GLY HA2 . . 4.560 3.504 3.137 4.029 . 0 0 "[ . 1 . 2]" 1
72 1 13 TYR QD 1 14 GLY HA3 . . 5.330 4.181 3.772 4.749 . 0 0 "[ . 1 . 2]" 1
73 1 13 TYR QE 1 29 THR HB . . 4.220 3.135 2.700 3.620 . 0 0 "[ . 1 . 2]" 1
74 1 13 TYR QE 1 29 THR MG . . 4.060 2.850 2.563 3.539 . 0 0 "[ . 1 . 2]" 1
75 1 13 TYR QE 1 30 VAL HA . . 4.790 4.345 3.267 4.831 0.041 5 0 "[ . 1 . 2]" 1
76 1 13 TYR QE 1 31 ASN HB2 . . 4.180 3.282 2.366 4.199 0.019 19 0 "[ . 1 . 2]" 1
77 1 13 TYR QE 1 31 ASN QB . . 3.630 2.682 2.200 3.587 . 0 0 "[ . 1 . 2]" 1
78 1 13 TYR QE 1 31 ASN HB3 . . 4.180 2.963 2.344 3.973 . 0 0 "[ . 1 . 2]" 1
79 1 14 GLY H 1 15 PRO QD . . 4.750 4.296 4.196 4.373 . 0 0 "[ . 1 . 2]" 1
80 1 14 GLY H 1 17 LEU QD . . 4.110 3.259 2.692 3.631 . 0 0 "[ . 1 . 2]" 1
81 1 14 GLY HA2 1 15 PRO HD2 . . 3.880 2.777 2.662 3.226 . 0 0 "[ . 1 . 2]" 1
82 1 14 GLY HA2 1 15 PRO HD3 . . 3.880 2.458 2.132 2.575 . 0 0 "[ . 1 . 2]" 1
83 1 14 GLY HA3 1 15 PRO HD2 . . 3.790 2.460 2.301 2.866 . 0 0 "[ . 1 . 2]" 1
84 1 14 GLY HA3 1 15 PRO QD . . 3.280 2.381 2.253 2.595 . 0 0 "[ . 1 . 2]" 1
85 1 14 GLY HA3 1 15 PRO HD3 . . 3.790 3.247 2.764 3.386 . 0 0 "[ . 1 . 2]" 1
86 1 14 GLY HA3 1 17 LEU H . . 4.350 4.370 4.293 4.446 0.096 20 0 "[ . 1 . 2]" 1
87 1 15 PRO HA 1 17 LEU H . . 5.370 3.800 3.528 4.222 . 0 0 "[ . 1 . 2]" 1
88 1 15 PRO QD 1 16 GLY H . . 4.090 2.747 2.555 2.861 . 0 0 "[ . 1 . 2]" 1
89 1 15 PRO QG 1 16 GLY H . . 3.770 2.606 2.329 3.718 . 0 0 "[ . 1 . 2]" 1
90 1 16 GLY H 1 17 LEU H . . 4.050 2.896 2.732 3.039 . 0 0 "[ . 1 . 2]" 1
91 1 16 GLY H 1 27 THR H . . 5.500 4.216 3.313 5.227 . 0 0 "[ . 1 . 2]" 1
92 1 16 GLY H 1 28 PHE HA . . 4.420 3.766 3.352 4.123 . 0 0 "[ . 1 . 2]" 1
93 1 16 GLY H 1 28 PHE QB . . 3.880 3.148 2.680 3.840 . 0 0 "[ . 1 . 2]" 1
94 1 16 GLY QA 1 17 LEU QD . . 5.280 3.911 3.698 4.212 . 0 0 "[ . 1 . 2]" 1
95 1 16 GLY QA 1 19 HIS H . . 4.320 3.569 3.179 3.832 . 0 0 "[ . 1 . 2]" 1
96 1 16 GLY QA 1 26 ALA MB . . 3.640 3.089 2.444 3.632 . 0 0 "[ . 1 . 2]" 1
97 1 16 GLY QA 1 27 THR H . . 4.190 3.285 2.554 3.647 . 0 0 "[ . 1 . 2]" 1
98 1 16 GLY QA 1 27 THR HA . . 4.970 4.400 3.660 4.907 . 0 0 "[ . 1 . 2]" 1
99 1 16 GLY QA 1 28 PHE QD . . 4.710 3.312 2.654 4.387 . 0 0 "[ . 1 . 2]" 1
100 1 16 GLY HA2 1 26 ALA MB . . 4.220 3.409 2.569 4.127 . 0 0 "[ . 1 . 2]" 1
101 1 16 GLY HA3 1 26 ALA MB . . 4.220 3.563 2.726 4.031 . 0 0 "[ . 1 . 2]" 1
102 1 17 LEU H 1 17 LEU HB2 . . 3.700 2.665 2.541 2.786 . 0 0 "[ . 1 . 2]" 1
103 1 17 LEU H 1 17 LEU HB3 . . 4.030 3.720 3.610 3.788 . 0 0 "[ . 1 . 2]" 1
104 1 17 LEU H 1 17 LEU MD1 . . 4.190 3.824 3.565 4.014 . 0 0 "[ . 1 . 2]" 1
105 1 17 LEU H 1 17 LEU MD2 . . 4.190 3.427 3.150 3.753 . 0 0 "[ . 1 . 2]" 1
106 1 17 LEU H 1 17 LEU HG . . 3.750 2.480 2.121 2.731 . 0 0 "[ . 1 . 2]" 1
107 1 17 LEU H 1 18 THR H . . 3.580 2.392 2.169 2.709 . 0 0 "[ . 1 . 2]" 1
108 1 17 LEU H 1 19 HIS H . . 4.340 4.027 3.712 4.394 0.054 3 0 "[ . 1 . 2]" 1
109 1 17 LEU H 1 28 PHE QB . . 4.190 3.355 3.013 3.621 . 0 0 "[ . 1 . 2]" 1
110 1 17 LEU HA 1 17 LEU MD1 . . 4.440 3.893 3.773 3.970 . 0 0 "[ . 1 . 2]" 1
111 1 17 LEU HA 1 17 LEU QD . . 3.270 2.287 2.183 2.432 . 0 0 "[ . 1 . 2]" 1
112 1 17 LEU HA 1 17 LEU MD2 . . 4.440 2.303 2.196 2.455 . 0 0 "[ . 1 . 2]" 1
113 1 17 LEU HA 1 17 LEU HG . . 3.860 3.310 3.154 3.430 . 0 0 "[ . 1 . 2]" 1
114 1 17 LEU HA 1 76 ILE MD . . 4.170 3.201 2.714 3.857 . 0 0 "[ . 1 . 2]" 1
115 1 17 LEU HB2 1 18 THR H . . 4.130 3.374 3.111 3.678 . 0 0 "[ . 1 . 2]" 1
116 1 17 LEU HB2 1 90 PHE QD . . 5.500 4.199 3.537 4.971 . 0 0 "[ . 1 . 2]" 1
117 1 17 LEU HB3 1 18 THR H . . 4.450 4.253 4.082 4.386 . 0 0 "[ . 1 . 2]" 1
118 1 17 LEU HB3 1 76 ILE QG . . 3.940 3.414 3.151 4.071 0.131 1 0 "[ . 1 . 2]" 1
119 1 17 LEU HB3 1 90 PHE QB . . 5.090 2.303 2.074 2.713 . 0 0 "[ . 1 . 2]" 1
120 1 17 LEU HB3 1 90 PHE QD . . 5.200 3.296 2.980 3.687 . 0 0 "[ . 1 . 2]" 1
121 1 17 LEU QD 1 28 PHE QB . . 4.060 2.604 2.229 2.996 . 0 0 "[ . 1 . 2]" 1
122 1 17 LEU QD 1 44 ILE MD . . 5.430 4.537 4.227 4.882 . 0 0 "[ . 1 . 2]" 1
123 1 17 LEU QD 1 76 ILE HB . . 4.880 2.852 2.434 3.104 . 0 0 "[ . 1 . 2]" 1
124 1 17 LEU QD 1 76 ILE MD . . 3.840 3.044 2.897 3.206 . 0 0 "[ . 1 . 2]" 1
125 1 17 LEU QD 1 76 ILE QG . . 4.560 2.018 1.907 2.099 . 0 0 "[ . 1 . 2]" 1
126 1 17 LEU QD 1 76 ILE MG . . 3.930 2.327 2.088 2.959 . 0 0 "[ . 1 . 2]" 1
127 1 17 LEU QD 1 78 VAL QG . . 4.810 3.136 2.746 3.665 . 0 0 "[ . 1 . 2]" 1
128 1 17 LEU QD 1 90 PHE QB . . 4.490 2.628 2.285 2.848 . 0 0 "[ . 1 . 2]" 1
129 1 17 LEU QD 1 90 PHE QD . . 4.070 2.727 2.324 3.147 . 0 0 "[ . 1 . 2]" 1
130 1 17 LEU QD 1 90 PHE QE . . 5.130 3.085 2.770 3.554 . 0 0 "[ . 1 . 2]" 1
131 1 17 LEU MD1 1 28 PHE QB . . 4.690 3.100 2.536 3.613 . 0 0 "[ . 1 . 2]" 1
132 1 17 LEU MD1 1 76 ILE MD . . 5.120 5.150 5.070 5.206 0.086 14 0 "[ . 1 . 2]" 1
133 1 17 LEU MD1 1 90 PHE QD . . 4.720 3.101 2.834 3.495 . 0 0 "[ . 1 . 2]" 1
134 1 17 LEU MD2 1 28 PHE QB . . 4.690 2.826 2.471 3.275 . 0 0 "[ . 1 . 2]" 1
135 1 17 LEU MD2 1 76 ILE MD . . 5.120 3.067 2.914 3.239 . 0 0 "[ . 1 . 2]" 1
136 1 17 LEU MD2 1 90 PHE QD . . 4.720 3.123 2.385 3.602 . 0 0 "[ . 1 . 2]" 1
137 1 17 LEU HG 1 28 PHE QB . . 3.880 2.461 2.203 2.753 . 0 0 "[ . 1 . 2]" 1
138 1 18 THR H 1 18 THR HB . . 4.120 3.382 2.601 3.886 . 0 0 "[ . 1 . 2]" 1
139 1 18 THR H 1 18 THR MG . . 4.180 3.100 2.195 3.920 . 0 0 "[ . 1 . 2]" 1
140 1 18 THR H 1 19 HIS H . . 3.130 2.101 1.918 2.428 . 0 0 "[ . 1 . 2]" 1
141 1 18 THR HB 1 19 HIS H . . 4.280 3.535 2.513 4.312 0.032 1 0 "[ . 1 . 2]" 1
142 1 19 HIS H 1 19 HIS QB . . 3.680 2.785 2.448 3.273 . 0 0 "[ . 1 . 2]" 1
143 1 19 HIS H 1 20 GLY H . . 4.440 4.400 4.147 4.488 0.048 11 0 "[ . 1 . 2]" 1
144 1 19 HIS HA 1 20 GLY H . . 3.310 2.497 2.059 2.747 . 0 0 "[ . 1 . 2]" 1
145 1 19 HIS HA 1 93 ARG H . . 3.800 2.408 1.987 2.689 . 0 0 "[ . 1 . 2]" 1
146 1 19 HIS QB 1 20 GLY H . . 3.500 2.527 2.049 3.386 . 0 0 "[ . 1 . 2]" 1
147 1 19 HIS QB 1 93 ARG H . . 5.340 4.276 3.674 4.723 . 0 0 "[ . 1 . 2]" 1
148 1 20 GLY H 1 94 VAL HA . . 3.690 2.607 2.323 3.112 . 0 0 "[ . 1 . 2]" 1
149 1 20 GLY H 1 94 VAL MG1 . . 4.870 4.221 3.973 4.852 . 0 0 "[ . 1 . 2]" 1
150 1 20 GLY H 1 94 VAL QG . . 4.160 3.626 3.252 4.061 . 0 0 "[ . 1 . 2]" 1
151 1 20 GLY H 1 94 VAL MG2 . . 4.870 3.967 3.391 4.357 . 0 0 "[ . 1 . 2]" 1
152 1 20 GLY H 1 95 THR H . . 4.130 3.151 2.784 3.684 . 0 0 "[ . 1 . 2]" 1
153 1 20 GLY HA2 1 21 VAL H . . 3.430 2.497 2.346 2.664 . 0 0 "[ . 1 . 2]" 1
154 1 20 GLY HA2 1 26 ALA MB . . 3.800 3.135 2.628 3.598 . 0 0 "[ . 1 . 2]" 1
155 1 20 GLY HA2 1 94 VAL QG . . 4.220 3.250 3.087 3.438 . 0 0 "[ . 1 . 2]" 1
156 1 20 GLY HA3 1 21 VAL H . . 3.410 2.660 2.513 2.811 . 0 0 "[ . 1 . 2]" 1
157 1 20 GLY HA3 1 26 ALA MB . . 4.520 3.781 3.360 3.880 . 0 0 "[ . 1 . 2]" 1
158 1 20 GLY HA3 1 94 VAL H . . 5.300 3.974 3.778 4.212 . 0 0 "[ . 1 . 2]" 1
159 1 20 GLY HA3 1 94 VAL MG1 . . 4.380 2.530 2.259 3.330 . 0 0 "[ . 1 . 2]" 1
160 1 20 GLY HA3 1 94 VAL QG . . 3.750 2.007 1.929 2.137 . 0 0 "[ . 1 . 2]" 1
161 1 20 GLY HA3 1 94 VAL MG2 . . 4.380 2.134 2.039 2.272 . 0 0 "[ . 1 . 2]" 1
162 1 21 VAL H 1 21 VAL HB . . 4.040 3.073 2.810 3.465 . 0 0 "[ . 1 . 2]" 1
163 1 21 VAL H 1 22 VAL H . . 5.060 4.166 3.738 4.403 . 0 0 "[ . 1 . 2]" 1
164 1 21 VAL H 1 22 VAL QG . . 4.810 4.668 4.381 4.747 . 0 0 "[ . 1 . 2]" 1
165 1 21 VAL H 1 26 ALA MB . . 4.600 2.928 2.407 3.301 . 0 0 "[ . 1 . 2]" 1
166 1 21 VAL H 1 94 VAL QG . . 4.900 2.643 2.323 3.301 . 0 0 "[ . 1 . 2]" 1
167 1 21 VAL HA 1 22 VAL H . . 3.150 2.183 2.069 2.366 . 0 0 "[ . 1 . 2]" 1
168 1 21 VAL HB 1 22 VAL H . . 4.500 4.204 4.007 4.387 . 0 0 "[ . 1 . 2]" 1
169 1 21 VAL QG 1 22 VAL H . . 3.700 2.714 2.118 3.149 . 0 0 "[ . 1 . 2]" 1
170 1 21 VAL QG 1 24 LYS H . . 3.980 3.321 3.084 3.490 . 0 0 "[ . 1 . 2]" 1
171 1 21 VAL QG 1 24 LYS QB . . 4.060 2.344 2.127 3.401 . 0 0 "[ . 1 . 2]" 1
172 1 21 VAL QG 1 24 LYS QE . . 5.110 3.378 1.959 4.517 . 0 0 "[ . 1 . 2]" 1
173 1 21 VAL QG 1 95 THR H . . 5.440 4.255 3.945 4.519 . 0 0 "[ . 1 . 2]" 1
174 1 21 VAL MG1 1 24 LYS H . . 5.050 3.437 3.108 3.694 . 0 0 "[ . 1 . 2]" 1
175 1 21 VAL MG2 1 24 LYS H . . 5.050 4.677 3.685 5.172 0.122 14 0 "[ . 1 . 2]" 1
176 1 22 VAL H 1 22 VAL HB . . 3.690 2.416 2.105 2.596 . 0 0 "[ . 1 . 2]" 1
177 1 22 VAL H 1 22 VAL QG . . 3.910 2.335 1.991 2.954 . 0 0 "[ . 1 . 2]" 1
178 1 22 VAL H 1 94 VAL QG . . 3.860 2.910 2.450 3.477 . 0 0 "[ . 1 . 2]" 1
179 1 22 VAL H 1 95 THR H . . 4.950 4.300 3.599 4.977 0.027 19 0 "[ . 1 . 2]" 1
180 1 22 VAL H 1 95 THR MG . . 5.500 4.596 3.745 5.570 0.070 20 0 "[ . 1 . 2]" 1
181 1 22 VAL H 1 96 GLY QA . . 5.340 3.383 2.736 4.020 . 0 0 "[ . 1 . 2]" 1
182 1 22 VAL HA 1 23 ASN H . . 3.230 2.143 2.033 2.215 . 0 0 "[ . 1 . 2]" 1
183 1 22 VAL HA 1 23 ASN HA . . 4.540 4.299 4.222 4.394 . 0 0 "[ . 1 . 2]" 1
184 1 22 VAL HA 1 24 LYS H . . 4.300 3.497 3.054 3.744 . 0 0 "[ . 1 . 2]" 1
185 1 22 VAL HA 1 68 PRO HG2 . . 4.040 2.547 2.310 3.015 . 0 0 "[ . 1 . 2]" 1
186 1 22 VAL HA 1 68 PRO HG3 . . 4.980 4.154 3.932 4.393 . 0 0 "[ . 1 . 2]" 1
187 1 22 VAL HA 1 94 VAL QG . . 4.190 2.868 2.480 3.184 . 0 0 "[ . 1 . 2]" 1
188 1 22 VAL HB 1 23 ASN H . . 4.350 4.204 4.023 4.371 0.021 18 0 "[ . 1 . 2]" 1
189 1 22 VAL HB 1 23 ASN QD . . 4.600 4.352 3.952 4.610 0.010 19 0 "[ . 1 . 2]" 1
190 1 22 VAL HB 1 96 GLY QA . . 4.990 2.393 2.049 3.277 . 0 0 "[ . 1 . 2]" 1
191 1 22 VAL QG 1 23 ASN H . . 3.630 2.575 2.093 2.974 . 0 0 "[ . 1 . 2]" 1
192 1 22 VAL QG 1 23 ASN QB . . 3.940 3.121 2.633 3.494 . 0 0 "[ . 1 . 2]" 1
193 1 22 VAL QG 1 23 ASN QD . . 3.720 2.185 1.797 2.574 . 0 0 "[ . 1 . 2]" 1
194 1 22 VAL QG 1 68 PRO QB . . 4.470 2.916 2.261 3.152 . 0 0 "[ . 1 . 2]" 1
195 1 22 VAL QG 1 69 VAL HA . . 4.300 3.064 2.376 3.663 . 0 0 "[ . 1 . 2]" 1
196 1 22 VAL QG 1 70 LEU H . . 4.830 2.973 2.576 3.253 . 0 0 "[ . 1 . 2]" 1
197 1 22 VAL QG 1 71 PRO QD . . 3.340 1.978 1.860 2.058 . 0 0 "[ . 1 . 2]" 1
198 1 22 VAL QG 1 71 PRO QG . . 4.180 2.383 2.035 3.150 . 0 0 "[ . 1 . 2]" 1
199 1 22 VAL QG 1 72 GLY H . . 5.280 3.990 3.434 4.853 . 0 0 "[ . 1 . 2]" 1
200 1 22 VAL QG 1 95 THR H . . 5.440 4.150 3.509 5.073 . 0 0 "[ . 1 . 2]" 1
201 1 22 VAL QG 1 96 GLY QA . . 3.340 2.195 1.972 2.599 . 0 0 "[ . 1 . 2]" 1
202 1 22 VAL QG 1 97 ASP H . . 4.120 3.268 2.491 3.841 . 0 0 "[ . 1 . 2]" 1
203 1 22 VAL QG 1 98 ASP H . . 4.600 3.906 2.519 4.606 0.006 13 0 "[ . 1 . 2]" 1
204 1 23 ASN H 1 24 LYS H . . 3.790 2.864 2.673 3.034 . 0 0 "[ . 1 . 2]" 1
205 1 23 ASN H 1 67 LEU HA . . 5.500 5.463 5.171 5.601 0.101 6 0 "[ . 1 . 2]" 1
206 1 23 ASN H 1 67 LEU QD . . 4.430 3.321 2.934 3.616 . 0 0 "[ . 1 . 2]" 1
207 1 23 ASN H 1 68 PRO QD . . 5.330 4.215 3.911 4.586 . 0 0 "[ . 1 . 2]" 1
208 1 23 ASN H 1 68 PRO HG2 . . 4.360 3.499 2.996 3.777 . 0 0 "[ . 1 . 2]" 1
209 1 23 ASN H 1 69 VAL HA . . 3.880 2.967 2.710 3.153 . 0 0 "[ . 1 . 2]" 1
210 1 23 ASN H 1 69 VAL QG . . 4.510 4.102 3.762 4.377 . 0 0 "[ . 1 . 2]" 1
211 1 23 ASN HA 1 67 LEU MD1 . . 4.760 4.321 2.987 4.802 0.042 19 0 "[ . 1 . 2]" 1
212 1 23 ASN HA 1 67 LEU QD . . 3.630 2.599 2.206 3.049 . 0 0 "[ . 1 . 2]" 1
213 1 23 ASN HA 1 67 LEU MD2 . . 4.760 2.624 2.272 3.084 . 0 0 "[ . 1 . 2]" 1
214 1 23 ASN HA 1 69 VAL QG . . 4.580 3.664 3.128 4.182 . 0 0 "[ . 1 . 2]" 1
215 1 23 ASN QB 1 24 LYS H . . 4.170 3.775 3.573 3.884 . 0 0 "[ . 1 . 2]" 1
216 1 23 ASN QB 1 67 LEU QD . . 4.850 3.911 3.518 4.338 . 0 0 "[ . 1 . 2]" 1
217 1 24 LYS H 1 24 LYS QB . . 3.280 2.587 2.386 2.981 . 0 0 "[ . 1 . 2]" 1
218 1 24 LYS H 1 67 LEU QD . . 4.090 2.905 2.615 3.240 . 0 0 "[ . 1 . 2]" 1
219 1 24 LYS H 1 68 PRO HG2 . . 4.700 4.134 3.390 4.721 0.021 19 0 "[ . 1 . 2]" 1
220 1 24 LYS HA 1 24 LYS QD . . 4.110 2.995 2.350 3.916 . 0 0 "[ . 1 . 2]" 1
221 1 24 LYS HA 1 25 PRO HD2 . . 3.510 2.999 2.751 3.358 . 0 0 "[ . 1 . 2]" 1
222 1 24 LYS HA 1 25 PRO HD3 . . 3.350 1.973 1.899 2.438 . 0 0 "[ . 1 . 2]" 1
223 1 24 LYS HA 1 25 PRO QG . . 4.610 3.814 3.547 4.251 . 0 0 "[ . 1 . 2]" 1
224 1 24 LYS HA 1 67 LEU QD . . 4.430 2.687 2.376 3.136 . 0 0 "[ . 1 . 2]" 1
225 1 24 LYS QB 1 25 PRO HD2 . . 3.540 3.606 2.184 3.993 0.453 8 0 "[ . 1 . 2]" 1
226 1 24 LYS QB 1 25 PRO HD3 . . 4.280 3.536 2.550 3.718 . 0 0 "[ . 1 . 2]" 1
227 1 24 LYS QD 1 25 PRO HD2 . . 4.030 2.440 2.068 3.868 . 0 0 "[ . 1 . 2]" 1
228 1 24 LYS QD 1 25 PRO HD3 . . 4.770 2.976 2.262 4.074 . 0 0 "[ . 1 . 2]" 1
229 1 24 LYS QE 1 24 LYS QG . . 3.300 2.296 2.073 2.739 . 0 0 "[ . 1 . 2]" 1
230 1 24 LYS QG 1 25 PRO HD2 . . 4.270 2.555 2.112 3.716 . 0 0 "[ . 1 . 2]" 1
231 1 24 LYS QG 1 25 PRO HD3 . . 4.890 3.226 2.578 4.019 . 0 0 "[ . 1 . 2]" 1
232 1 25 PRO HA 1 26 ALA H . . 3.140 2.115 2.042 2.329 . 0 0 "[ . 1 . 2]" 1
233 1 25 PRO HA 1 67 LEU QB . . 4.600 3.416 2.707 4.127 . 0 0 "[ . 1 . 2]" 1
234 1 25 PRO HA 1 67 LEU MD1 . . 4.550 3.901 3.659 4.685 0.135 8 0 "[ . 1 . 2]" 1
235 1 25 PRO HA 1 67 LEU QD . . 3.900 2.736 2.160 3.080 . 0 0 "[ . 1 . 2]" 1
236 1 25 PRO HA 1 67 LEU MD2 . . 4.550 2.826 2.164 3.259 . 0 0 "[ . 1 . 2]" 1
237 1 25 PRO QB 1 26 ALA H . . 3.880 3.163 2.822 3.491 . 0 0 "[ . 1 . 2]" 1
238 1 25 PRO QB 1 27 THR MG . . 4.310 3.460 3.061 3.848 . 0 0 "[ . 1 . 2]" 1
239 1 25 PRO HD2 1 67 LEU QD . . 4.980 4.004 3.843 4.250 . 0 0 "[ . 1 . 2]" 1
240 1 25 PRO HD3 1 67 LEU QD . . 4.220 2.912 2.705 3.393 . 0 0 "[ . 1 . 2]" 1
241 1 25 PRO HD3 1 67 LEU HG . . 5.500 3.714 2.896 4.535 . 0 0 "[ . 1 . 2]" 1
242 1 26 ALA H 1 26 ALA MB . . 3.580 2.449 2.292 2.617 . 0 0 "[ . 1 . 2]" 1
243 1 26 ALA H 1 27 THR H . . 5.470 4.543 4.436 4.629 . 0 0 "[ . 1 . 2]" 1
244 1 26 ALA H 1 27 THR HA . . 5.290 5.101 4.842 5.328 0.038 9 0 "[ . 1 . 2]" 1
245 1 26 ALA H 1 66 TYR QB . . 5.340 4.946 4.811 5.033 . 0 0 "[ . 1 . 2]" 1
246 1 26 ALA H 1 67 LEU HA . . 4.430 2.957 2.680 3.292 . 0 0 "[ . 1 . 2]" 1
247 1 26 ALA H 1 67 LEU QB . . 5.220 4.300 3.891 4.796 . 0 0 "[ . 1 . 2]" 1
248 1 26 ALA H 1 67 LEU QD . . 5.010 3.949 3.509 4.446 . 0 0 "[ . 1 . 2]" 1
249 1 26 ALA H 1 67 LEU HG . . 5.500 4.128 3.572 5.514 0.014 13 0 "[ . 1 . 2]" 1
250 1 26 ALA H 1 68 PRO QD . . 5.350 3.184 2.661 3.744 . 0 0 "[ . 1 . 2]" 1
251 1 26 ALA HA 1 27 THR H . . 3.180 2.332 2.224 2.428 . 0 0 "[ . 1 . 2]" 1
252 1 26 ALA MB 1 27 THR H . . 3.840 2.725 2.582 3.036 . 0 0 "[ . 1 . 2]" 1
253 1 26 ALA MB 1 66 TYR H . . 4.460 3.871 3.643 4.130 . 0 0 "[ . 1 . 2]" 1
254 1 26 ALA MB 1 68 PRO HD2 . . 4.400 3.137 2.633 3.481 . 0 0 "[ . 1 . 2]" 1
255 1 26 ALA MB 1 68 PRO HD3 . . 4.400 2.758 2.174 3.191 . 0 0 "[ . 1 . 2]" 1
256 1 27 THR H 1 27 THR HB . . 4.050 3.886 3.479 3.975 . 0 0 "[ . 1 . 2]" 1
257 1 27 THR H 1 27 THR MG . . 3.840 3.093 2.550 3.246 . 0 0 "[ . 1 . 2]" 1
258 1 27 THR H 1 28 PHE H . . 4.560 4.463 4.397 4.499 . 0 0 "[ . 1 . 2]" 1
259 1 27 THR H 1 66 TYR H . . 5.500 4.984 4.871 5.125 . 0 0 "[ . 1 . 2]" 1
260 1 27 THR HA 1 27 THR MG . . 3.610 2.508 2.349 3.272 . 0 0 "[ . 1 . 2]" 1
261 1 27 THR HA 1 28 PHE H . . 3.100 2.281 2.175 2.381 . 0 0 "[ . 1 . 2]" 1
262 1 27 THR HA 1 65 SER QB . . 5.340 4.386 3.634 5.011 . 0 0 "[ . 1 . 2]" 1
263 1 27 THR HA 1 66 TYR QD . . 5.160 3.201 2.953 3.675 . 0 0 "[ . 1 . 2]" 1
264 1 27 THR HB 1 28 PHE H . . 3.780 2.527 2.307 3.753 . 0 0 "[ . 1 . 2]" 1
265 1 27 THR HB 1 66 TYR QE . . 5.500 5.470 5.014 5.649 0.149 13 0 "[ . 1 . 2]" 1
266 1 27 THR MG 1 28 PHE H . . 4.120 3.729 3.571 3.898 . 0 0 "[ . 1 . 2]" 1
267 1 27 THR MG 1 65 SER HA . . 4.090 2.339 2.129 4.075 . 0 0 "[ . 1 . 2]" 1
268 1 27 THR MG 1 65 SER HB2 . . 4.380 3.715 2.470 4.319 . 0 0 "[ . 1 . 2]" 1
269 1 27 THR MG 1 65 SER QB . . 3.770 2.763 2.137 3.437 . 0 0 "[ . 1 . 2]" 1
270 1 27 THR MG 1 65 SER HB3 . . 4.380 2.973 2.201 3.867 . 0 0 "[ . 1 . 2]" 1
271 1 27 THR MG 1 66 TYR QD . . 5.480 4.513 4.330 5.460 . 0 0 "[ . 1 . 2]" 1
272 1 28 PHE H 1 28 PHE QD . . 4.620 3.315 3.058 3.599 . 0 0 "[ . 1 . 2]" 1
273 1 28 PHE H 1 64 VAL HB . . 5.040 3.771 3.034 4.555 . 0 0 "[ . 1 . 2]" 1
274 1 28 PHE H 1 64 VAL MG1 . . 5.500 4.131 3.467 5.076 . 0 0 "[ . 1 . 2]" 1
275 1 28 PHE H 1 64 VAL MG2 . . 5.500 5.105 4.608 5.593 0.093 2 0 "[ . 1 . 2]" 1
276 1 28 PHE HA 1 29 THR H . . 3.420 2.501 2.291 2.675 . 0 0 "[ . 1 . 2]" 1
277 1 28 PHE QB 1 29 THR H . . 3.400 2.298 2.189 2.535 . 0 0 "[ . 1 . 2]" 1
278 1 28 PHE QD 1 29 THR H . . 4.090 2.957 2.574 3.448 . 0 0 "[ . 1 . 2]" 1
279 1 28 PHE QD 1 30 VAL QG . . 3.880 2.674 2.264 3.578 . 0 0 "[ . 1 . 2]" 1
280 1 28 PHE QE 1 42 LEU QD . . 3.970 2.673 2.108 3.121 . 0 0 "[ . 1 . 2]" 1
281 1 28 PHE QE 1 64 VAL QG . . 3.930 2.588 2.368 3.077 . 0 0 "[ . 1 . 2]" 1
282 1 28 PHE QE 1 76 ILE MG . . 3.700 2.820 2.325 3.250 . 0 0 "[ . 1 . 2]" 1
283 1 28 PHE QE 1 78 VAL QG . . 4.930 3.064 2.472 3.680 . 0 0 "[ . 1 . 2]" 1
284 1 28 PHE HZ 1 30 VAL QG . . 4.050 3.920 3.406 4.081 0.031 4 0 "[ . 1 . 2]" 1
285 1 28 PHE HZ 1 44 ILE MD . . 4.880 3.637 2.574 4.967 0.087 13 0 "[ . 1 . 2]" 1
286 1 28 PHE HZ 1 64 VAL MG1 . . 4.990 2.901 2.426 3.384 . 0 0 "[ . 1 . 2]" 1
287 1 28 PHE HZ 1 64 VAL QG . . 4.070 2.661 2.307 3.075 . 0 0 "[ . 1 . 2]" 1
288 1 28 PHE HZ 1 64 VAL MG2 . . 4.990 3.237 2.442 3.946 . 0 0 "[ . 1 . 2]" 1
289 1 28 PHE HZ 1 76 ILE MD . . 4.690 4.657 4.320 4.809 0.119 12 0 "[ . 1 . 2]" 1
290 1 28 PHE HZ 1 76 ILE MG . . 5.460 2.762 2.274 3.148 . 0 0 "[ . 1 . 2]" 1
291 1 28 PHE HZ 1 78 VAL QG . . 4.720 3.120 2.555 3.777 . 0 0 "[ . 1 . 2]" 1
292 1 29 THR H 1 29 THR HB . . 3.590 2.614 2.477 2.821 . 0 0 "[ . 1 . 2]" 1
293 1 29 THR HA 1 30 VAL H . . 3.110 2.161 1.921 2.366 . 0 0 "[ . 1 . 2]" 1
294 1 29 THR HA 1 30 VAL QG . . 4.370 3.400 2.857 4.263 . 0 0 "[ . 1 . 2]" 1
295 1 29 THR HB 1 30 VAL H . . 4.620 4.011 3.757 4.349 . 0 0 "[ . 1 . 2]" 1
296 1 29 THR MG 1 30 VAL H . . 3.310 2.492 2.219 3.080 . 0 0 "[ . 1 . 2]" 1
297 1 29 THR MG 1 31 ASN HA . . 4.660 4.041 3.295 4.648 . 0 0 "[ . 1 . 2]" 1
298 1 29 THR MG 1 31 ASN QB . . 4.330 2.973 2.242 4.337 0.007 19 0 "[ . 1 . 2]" 1
299 1 29 THR MG 1 61 THR HA . . 5.500 4.519 3.316 5.237 . 0 0 "[ . 1 . 2]" 1
300 1 29 THR MG 1 61 THR HB . . 3.790 3.156 2.357 3.801 0.011 19 0 "[ . 1 . 2]" 1
301 1 29 THR MG 1 62 CYS H . . 4.700 4.379 3.295 4.733 0.033 2 0 "[ . 1 . 2]" 1
302 1 30 VAL H 1 30 VAL HB . . 3.710 3.645 2.497 3.803 0.093 19 0 "[ . 1 . 2]" 1
303 1 30 VAL H 1 30 VAL MG1 . . 4.720 3.338 2.611 3.552 . 0 0 "[ . 1 . 2]" 1
304 1 30 VAL H 1 30 VAL QG . . 3.820 2.314 1.984 3.083 . 0 0 "[ . 1 . 2]" 1
305 1 30 VAL H 1 30 VAL MG2 . . 4.720 2.488 2.007 4.114 . 0 0 "[ . 1 . 2]" 1
306 1 30 VAL H 1 61 THR HB . . 4.520 3.797 3.157 4.366 . 0 0 "[ . 1 . 2]" 1
307 1 30 VAL H 1 62 CYS H . . 4.000 3.361 2.043 3.945 . 0 0 "[ . 1 . 2]" 1
308 1 30 VAL HA 1 31 ASN H . . 3.120 2.186 1.878 2.621 . 0 0 "[ . 1 . 2]" 1
309 1 30 VAL HA 1 62 CYS H . . 5.500 4.863 4.415 5.171 . 0 0 "[ . 1 . 2]" 1
310 1 30 VAL HA 1 62 CYS QB . . 5.340 5.084 4.325 5.243 . 0 0 "[ . 1 . 2]" 1
311 1 30 VAL HB 1 62 CYS H . . 3.840 3.940 3.624 4.366 0.526 3 1 "[ + . 1 . 2]" 1
312 1 30 VAL HB 1 62 CYS HB2 . . 4.000 4.067 3.668 4.289 0.289 4 0 "[ . 1 . 2]" 1
313 1 30 VAL HB 1 62 CYS QB . . 3.470 3.268 2.884 3.644 0.174 19 0 "[ . 1 . 2]" 1
314 1 30 VAL HB 1 62 CYS HB3 . . 4.000 3.466 2.954 3.990 . 0 0 "[ . 1 . 2]" 1
315 1 30 VAL QG 1 31 ASN H . . 3.500 3.230 2.910 3.560 0.060 5 0 "[ . 1 . 2]" 1
316 1 30 VAL QG 1 64 VAL H . . 4.950 3.201 2.257 4.909 . 0 0 "[ . 1 . 2]" 1
317 1 30 VAL QG 1 64 VAL HB . . 5.050 3.668 2.749 4.926 . 0 0 "[ . 1 . 2]" 1
318 1 30 VAL MG1 1 31 ASN H . . 4.980 3.686 3.183 4.368 . 0 0 "[ . 1 . 2]" 1
319 1 30 VAL MG2 1 31 ASN H . . 4.980 3.697 3.016 3.950 . 0 0 "[ . 1 . 2]" 1
320 1 31 ASN H 1 31 ASN HB2 . . 3.890 3.023 2.398 3.866 . 0 0 "[ . 1 . 2]" 1
321 1 31 ASN H 1 31 ASN QB . . 3.390 2.474 2.072 3.246 . 0 0 "[ . 1 . 2]" 1
322 1 31 ASN H 1 31 ASN HB3 . . 3.890 2.666 2.206 3.487 . 0 0 "[ . 1 . 2]" 1
323 1 31 ASN H 1 32 THR MG . . 5.380 4.273 3.090 5.243 . 0 0 "[ . 1 . 2]" 1
324 1 31 ASN HA 1 32 THR H . . 3.470 2.222 2.078 2.544 . 0 0 "[ . 1 . 2]" 1
325 1 31 ASN HA 1 33 LYS H . . 5.500 3.976 3.040 5.362 . 0 0 "[ . 1 . 2]" 1
326 1 31 ASN HA 1 61 THR HA . . 4.340 2.587 2.057 3.415 . 0 0 "[ . 1 . 2]" 1
327 1 31 ASN HA 1 61 THR MG . . 4.380 3.112 2.222 4.312 . 0 0 "[ . 1 . 2]" 1
328 1 31 ASN QB 1 61 THR MG . . 5.070 3.394 2.210 4.962 . 0 0 "[ . 1 . 2]" 1
329 1 32 THR H 1 32 THR MG . . 4.170 2.544 2.321 2.831 . 0 0 "[ . 1 . 2]" 1
330 1 32 THR H 1 33 LYS H . . 4.050 3.197 2.500 4.158 0.108 4 0 "[ . 1 . 2]" 1
331 1 32 THR H 1 61 THR HA . . 4.890 2.828 1.995 4.328 . 0 0 "[ . 1 . 2]" 1
332 1 32 THR HA 1 32 THR MG . . 3.330 2.282 2.205 2.370 . 0 0 "[ . 1 . 2]" 1
333 1 32 THR HA 1 35 ALA MB . . 4.350 2.789 2.175 3.951 . 0 0 "[ . 1 . 2]" 1
334 1 32 THR HB 1 33 LYS QG . . 5.500 5.519 5.139 5.698 0.198 15 0 "[ . 1 . 2]" 1
335 1 32 THR HB 1 35 ALA MB . . 3.680 2.645 1.915 3.729 0.049 7 0 "[ . 1 . 2]" 1
336 1 32 THR HB 1 80 TYR QE . . 4.490 4.040 2.408 4.578 0.088 17 0 "[ . 1 . 2]" 1
337 1 32 THR MG 1 80 TYR QD . . 4.690 3.739 3.026 4.333 . 0 0 "[ . 1 . 2]" 1
338 1 32 THR MG 1 80 TYR QE . . 3.890 2.870 2.141 3.917 0.027 19 0 "[ . 1 . 2]" 1
339 1 33 LYS H 1 33 LYS QB . . 3.570 2.566 2.113 3.419 . 0 0 "[ . 1 . 2]" 1
340 1 33 LYS H 1 33 LYS QG . . 4.020 2.289 1.809 3.058 . 0 0 "[ . 1 . 2]" 1
341 1 33 LYS HA 1 33 LYS QG . . 3.930 2.754 2.145 3.403 . 0 0 "[ . 1 . 2]" 1
342 1 33 LYS QB 1 34 ASP H . . 4.140 2.931 1.927 3.614 . 0 0 "[ . 1 . 2]" 1
343 1 33 LYS HB2 1 34 ASP H . . 4.930 3.353 1.966 4.401 . 0 0 "[ . 1 . 2]" 1
344 1 33 LYS HB3 1 34 ASP H . . 4.930 3.536 2.617 4.176 . 0 0 "[ . 1 . 2]" 1
345 1 33 LYS QG 1 34 ASP H . . 4.400 3.332 1.803 4.308 . 0 0 "[ . 1 . 2]" 1
346 1 34 ASP H 1 34 ASP QB . . 3.660 2.631 2.202 3.271 . 0 0 "[ . 1 . 2]" 1
347 1 34 ASP H 1 35 ALA H . . 3.680 2.522 1.866 3.143 . 0 0 "[ . 1 . 2]" 1
348 1 35 ALA H 1 35 ALA MB . . 3.320 2.224 2.112 2.879 . 0 0 "[ . 1 . 2]" 1
349 1 35 ALA H 1 36 GLY H . . 3.780 2.930 2.458 3.832 0.052 2 0 "[ . 1 . 2]" 1
350 1 35 ALA MB 1 36 GLY H . . 3.920 2.879 2.392 3.722 . 0 0 "[ . 1 . 2]" 1
351 1 35 ALA MB 1 80 TYR QE . . 4.110 2.601 2.179 2.997 . 0 0 "[ . 1 . 2]" 1
352 1 37 GLU H 1 37 GLU QB . . 3.690 2.491 2.112 3.455 . 0 0 "[ . 1 . 2]" 1
353 1 37 GLU H 1 37 GLU QG . . 4.060 3.183 2.127 4.158 0.098 17 0 "[ . 1 . 2]" 1
354 1 37 GLU HA 1 38 GLY H . . 3.130 3.019 2.179 3.326 0.196 2 0 "[ . 1 . 2]" 1
355 1 37 GLU QB 1 38 GLY H . . 4.460 3.573 3.064 4.081 . 0 0 "[ . 1 . 2]" 1
356 1 37 GLU HB2 1 38 GLY H . . 5.180 4.025 3.432 4.589 . 0 0 "[ . 1 . 2]" 1
357 1 37 GLU HB3 1 38 GLY H . . 5.180 4.108 3.171 4.572 . 0 0 "[ . 1 . 2]" 1
358 1 38 GLY H 1 39 GLY H . . 4.660 3.587 1.810 4.601 . 0 0 "[ . 1 . 2]" 1
359 1 39 GLY H 1 40 LEU H . . 4.100 3.038 2.102 4.159 0.059 18 0 "[ . 1 . 2]" 1
360 1 39 GLY QA 1 40 LEU H . . 3.040 2.625 2.117 2.979 . 0 0 "[ . 1 . 2]" 1
361 1 40 LEU H 1 40 LEU HB2 . . 3.760 2.833 2.248 3.666 . 0 0 "[ . 1 . 2]" 1
362 1 40 LEU H 1 40 LEU QB . . 3.210 2.287 2.140 2.633 . 0 0 "[ . 1 . 2]" 1
363 1 40 LEU H 1 40 LEU HB3 . . 3.760 2.536 2.263 2.786 . 0 0 "[ . 1 . 2]" 1
364 1 40 LEU H 1 40 LEU QD . . 4.220 3.195 1.904 3.928 . 0 0 "[ . 1 . 2]" 1
365 1 40 LEU HA 1 40 LEU QD . . 3.720 2.818 2.115 3.360 . 0 0 "[ . 1 . 2]" 1
366 1 40 LEU HA 1 41 SER H . . 3.130 2.252 2.086 2.611 . 0 0 "[ . 1 . 2]" 1
367 1 40 LEU HA 1 80 TYR QE . . 5.210 4.303 3.266 5.060 . 0 0 "[ . 1 . 2]" 1
368 1 40 LEU QB 1 41 SER H . . 4.270 3.342 1.977 3.904 . 0 0 "[ . 1 . 2]" 1
369 1 40 LEU QB 1 80 TYR QD . . 3.900 2.335 1.993 2.930 . 0 0 "[ . 1 . 2]" 1
370 1 40 LEU QB 1 80 TYR QE . . 4.430 2.743 2.330 3.127 . 0 0 "[ . 1 . 2]" 1
371 1 40 LEU QD 1 41 SER H . . 3.500 2.602 2.222 2.943 . 0 0 "[ . 1 . 2]" 1
372 1 40 LEU QD 1 62 CYS QB . . 4.180 2.831 2.147 3.469 . 0 0 "[ . 1 . 2]" 1
373 1 40 LEU QD 1 79 LYS H . . 4.870 3.760 3.360 4.691 . 0 0 "[ . 1 . 2]" 1
374 1 40 LEU QD 1 80 TYR QD . . 3.840 2.850 2.117 3.857 0.017 17 0 "[ . 1 . 2]" 1
375 1 40 LEU MD1 1 80 TYR QD . . 4.700 3.792 2.123 4.697 . 0 0 "[ . 1 . 2]" 1
376 1 40 LEU MD2 1 80 TYR QD . . 4.700 3.511 2.252 4.166 . 0 0 "[ . 1 . 2]" 1
377 1 40 LEU HG 1 41 SER H . . 4.960 4.139 2.399 4.993 0.033 20 0 "[ . 1 . 2]" 1
378 1 41 SER H 1 41 SER QB . . 3.610 2.708 2.540 2.891 . 0 0 "[ . 1 . 2]" 1
379 1 41 SER H 1 42 LEU H . . 4.960 4.306 2.824 4.481 . 0 0 "[ . 1 . 2]" 1
380 1 41 SER H 1 79 LYS H . . 4.050 3.407 3.140 4.059 0.009 9 0 "[ . 1 . 2]" 1
381 1 41 SER H 1 79 LYS QB . . 4.850 3.358 2.867 3.737 . 0 0 "[ . 1 . 2]" 1
382 1 41 SER HA 1 42 LEU H . . 3.040 2.310 2.161 2.675 . 0 0 "[ . 1 . 2]" 1
383 1 41 SER HA 1 42 LEU HG . . 4.340 3.989 3.487 4.627 0.287 4 0 "[ . 1 . 2]" 1
384 1 41 SER QB 1 42 LEU H . . 3.990 3.404 2.805 3.822 . 0 0 "[ . 1 . 2]" 1
385 1 41 SER QB 1 79 LYS QB . . 3.790 2.748 2.309 3.155 . 0 0 "[ . 1 . 2]" 1
386 1 42 LEU H 1 42 LEU QB . . 3.430 2.919 2.404 3.267 . 0 0 "[ . 1 . 2]" 1
387 1 42 LEU H 1 42 LEU MD1 . . 4.320 3.651 2.031 4.122 . 0 0 "[ . 1 . 2]" 1
388 1 42 LEU H 1 42 LEU QD . . 3.700 3.261 2.013 3.711 0.011 14 0 "[ . 1 . 2]" 1
389 1 42 LEU H 1 42 LEU MD2 . . 4.320 3.839 3.308 4.382 0.062 14 0 "[ . 1 . 2]" 1
390 1 42 LEU H 1 42 LEU HG . . 4.610 2.884 2.327 4.113 . 0 0 "[ . 1 . 2]" 1
391 1 42 LEU HA 1 42 LEU QD . . 3.870 2.972 2.106 3.470 . 0 0 "[ . 1 . 2]" 1
392 1 42 LEU HA 1 42 LEU HG . . 4.130 3.626 2.636 4.192 0.062 4 0 "[ . 1 . 2]" 1
393 1 42 LEU HA 1 43 ALA H . . 3.060 2.290 2.107 2.416 . 0 0 "[ . 1 . 2]" 1
394 1 42 LEU HA 1 43 ALA MB . . 4.710 3.983 3.905 4.107 . 0 0 "[ . 1 . 2]" 1
395 1 42 LEU HA 1 78 VAL QG . . 4.610 3.655 2.941 4.074 . 0 0 "[ . 1 . 2]" 1
396 1 42 LEU QB 1 76 ILE MG . . 4.660 3.515 3.123 4.395 . 0 0 "[ . 1 . 2]" 1
397 1 42 LEU QB 1 78 VAL QG . . 4.120 2.754 1.919 3.916 . 0 0 "[ . 1 . 2]" 1
398 1 42 LEU QD 1 43 ALA H . . 4.420 3.108 2.917 3.289 . 0 0 "[ . 1 . 2]" 1
399 1 42 LEU QD 1 43 ALA HA . . 5.240 3.483 2.641 4.801 . 0 0 "[ . 1 . 2]" 1
400 1 42 LEU QD 1 64 VAL QG . . 3.730 1.766 1.640 1.930 . 0 0 "[ . 1 . 2]" 1
401 1 42 LEU QD 1 78 VAL HA . . 5.440 3.032 2.055 4.048 . 0 0 "[ . 1 . 2]" 1
402 1 42 LEU QD 1 78 VAL QG . . 3.580 2.061 1.789 3.084 . 0 0 "[ . 1 . 2]" 1
403 1 42 LEU HG 1 43 ALA H . . 5.330 4.687 4.050 5.031 . 0 0 "[ . 1 . 2]" 1
404 1 42 LEU HG 1 64 VAL MG1 . . 4.360 4.203 3.676 4.392 0.032 3 0 "[ . 1 . 2]" 1
405 1 42 LEU HG 1 64 VAL QG . . 3.180 3.174 2.569 3.310 0.130 20 0 "[ . 1 . 2]" 1
406 1 42 LEU HG 1 64 VAL MG2 . . 4.360 3.290 2.623 3.461 . 0 0 "[ . 1 . 2]" 1
407 1 43 ALA H 1 43 ALA MB . . 3.320 2.734 2.641 2.835 . 0 0 "[ . 1 . 2]" 1
408 1 43 ALA H 1 76 ILE MG . . 4.710 4.039 3.671 4.348 . 0 0 "[ . 1 . 2]" 1
409 1 43 ALA H 1 77 LEU H . . 4.040 3.211 2.807 3.441 . 0 0 "[ . 1 . 2]" 1
410 1 43 ALA H 1 77 LEU HB2 . . 5.050 2.962 2.596 3.209 . 0 0 "[ . 1 . 2]" 1
411 1 43 ALA H 1 77 LEU QB . . 4.370 2.885 2.554 3.080 . 0 0 "[ . 1 . 2]" 1
412 1 43 ALA H 1 77 LEU HB3 . . 5.050 4.022 3.603 4.331 . 0 0 "[ . 1 . 2]" 1
413 1 43 ALA H 1 77 LEU QD . . 5.440 4.238 3.712 4.561 . 0 0 "[ . 1 . 2]" 1
414 1 43 ALA HA 1 44 ILE H . . 3.030 2.399 2.156 2.520 . 0 0 "[ . 1 . 2]" 1
415 1 43 ALA HA 1 52 ILE MD . . 4.140 2.896 2.124 4.214 0.074 8 0 "[ . 1 . 2]" 1
416 1 43 ALA MB 1 44 ILE H . . 3.550 2.477 2.181 3.410 . 0 0 "[ . 1 . 2]" 1
417 1 43 ALA MB 1 45 GLU QG . . 4.250 3.730 3.252 4.234 . 0 0 "[ . 1 . 2]" 1
418 1 43 ALA MB 1 77 LEU QB . . 3.800 2.510 2.100 3.018 . 0 0 "[ . 1 . 2]" 1
419 1 43 ALA MB 1 77 LEU QD . . 4.110 3.277 2.608 3.956 . 0 0 "[ . 1 . 2]" 1
420 1 44 ILE H 1 44 ILE HB . . 3.670 2.663 2.435 3.071 . 0 0 "[ . 1 . 2]" 1
421 1 44 ILE H 1 44 ILE MD . . 4.890 3.175 2.762 4.801 . 0 0 "[ . 1 . 2]" 1
422 1 44 ILE H 1 44 ILE HG12 . . 5.500 4.792 4.470 5.001 . 0 0 "[ . 1 . 2]" 1
423 1 44 ILE H 1 44 ILE QG . . 4.670 3.979 3.797 4.301 . 0 0 "[ . 1 . 2]" 1
424 1 44 ILE H 1 44 ILE HG13 . . 5.500 4.254 4.093 4.690 . 0 0 "[ . 1 . 2]" 1
425 1 44 ILE H 1 44 ILE MG . . 4.490 3.704 2.684 3.856 . 0 0 "[ . 1 . 2]" 1
426 1 44 ILE H 1 52 ILE MD . . 4.410 2.668 1.929 4.160 . 0 0 "[ . 1 . 2]" 1
427 1 44 ILE HA 1 44 ILE MD . . 4.440 3.148 2.926 3.646 . 0 0 "[ . 1 . 2]" 1
428 1 44 ILE HA 1 44 ILE HG12 . . 4.180 3.506 3.129 3.587 . 0 0 "[ . 1 . 2]" 1
429 1 44 ILE HA 1 44 ILE HG13 . . 4.180 2.257 2.180 2.329 . 0 0 "[ . 1 . 2]" 1
430 1 44 ILE HA 1 45 GLU H . . 3.190 2.099 2.008 2.305 . 0 0 "[ . 1 . 2]" 1
431 1 44 ILE HA 1 76 ILE HA . . 4.040 2.679 2.517 2.864 . 0 0 "[ . 1 . 2]" 1
432 1 44 ILE HA 1 76 ILE MD . . 5.500 3.652 3.322 4.186 . 0 0 "[ . 1 . 2]" 1
433 1 44 ILE HA 1 76 ILE MG . . 5.290 3.909 3.669 4.390 . 0 0 "[ . 1 . 2]" 1
434 1 44 ILE HA 1 77 LEU H . . 4.140 3.193 2.911 3.528 . 0 0 "[ . 1 . 2]" 1
435 1 44 ILE HA 1 77 LEU QD . . 4.640 3.109 2.493 3.955 . 0 0 "[ . 1 . 2]" 1
436 1 44 ILE HB 1 45 GLU H . . 4.440 4.268 4.135 4.422 . 0 0 "[ . 1 . 2]" 1
437 1 44 ILE HB 1 50 ALA H . . 4.760 4.303 3.031 4.838 0.078 13 0 "[ . 1 . 2]" 1
438 1 44 ILE HB 1 50 ALA MB . . 4.450 3.351 2.410 4.329 . 0 0 "[ . 1 . 2]" 1
439 1 44 ILE MD 1 44 ILE MG . . 3.450 3.105 2.221 3.240 . 0 0 "[ . 1 . 2]" 1
440 1 44 ILE MD 1 50 ALA MB . . 3.930 3.716 2.538 3.990 0.060 11 0 "[ . 1 . 2]" 1
441 1 44 ILE MD 1 52 ILE MD . . 3.810 2.164 1.989 2.526 . 0 0 "[ . 1 . 2]" 1
442 1 44 ILE MD 1 52 ILE QG . . 4.670 3.053 2.070 4.004 . 0 0 "[ . 1 . 2]" 1
443 1 44 ILE MD 1 66 TYR QB . . 3.690 3.167 2.691 3.576 . 0 0 "[ . 1 . 2]" 1
444 1 44 ILE MD 1 76 ILE MD . . 4.110 2.813 2.094 3.916 . 0 0 "[ . 1 . 2]" 1
445 1 44 ILE MD 1 76 ILE QG . . 5.280 4.159 2.415 4.621 . 0 0 "[ . 1 . 2]" 1
446 1 44 ILE MD 1 76 ILE MG . . 4.210 2.488 2.219 2.943 . 0 0 "[ . 1 . 2]" 1
447 1 44 ILE QG 1 45 GLU H . . 4.920 3.627 2.484 3.896 . 0 0 "[ . 1 . 2]" 1
448 1 44 ILE QG 1 52 ILE MD . . 4.440 3.715 3.429 3.910 . 0 0 "[ . 1 . 2]" 1
449 1 44 ILE QG 1 74 TYR QD . . 5.010 3.888 2.551 4.439 . 0 0 "[ . 1 . 2]" 1
450 1 44 ILE QG 1 76 ILE HA . . 4.610 2.411 2.106 2.739 . 0 0 "[ . 1 . 2]" 1
451 1 44 ILE QG 1 76 ILE MD . . 3.680 2.074 1.922 2.702 . 0 0 "[ . 1 . 2]" 1
452 1 44 ILE QG 1 76 ILE QG . . 4.130 3.626 2.247 3.984 . 0 0 "[ . 1 . 2]" 1
453 1 44 ILE HG12 1 76 ILE MG . . 4.660 3.726 3.310 4.662 0.002 13 0 "[ . 1 . 2]" 1
454 1 44 ILE HG13 1 76 ILE MG . . 4.660 2.639 2.220 3.439 . 0 0 "[ . 1 . 2]" 1
455 1 44 ILE MG 1 45 GLU H . . 3.790 2.648 2.305 3.179 . 0 0 "[ . 1 . 2]" 1
456 1 44 ILE MG 1 50 ALA MB . . 3.840 2.647 2.274 3.102 . 0 0 "[ . 1 . 2]" 1
457 1 44 ILE MG 1 74 TYR QB . . 4.040 2.601 2.235 4.058 0.018 13 0 "[ . 1 . 2]" 1
458 1 44 ILE MG 1 74 TYR QD . . 3.750 2.139 1.974 2.975 . 0 0 "[ . 1 . 2]" 1
459 1 45 GLU H 1 45 GLU QB . . 3.640 2.493 2.316 2.768 . 0 0 "[ . 1 . 2]" 1
460 1 45 GLU H 1 45 GLU QG . . 4.120 3.247 2.916 3.506 . 0 0 "[ . 1 . 2]" 1
461 1 45 GLU H 1 46 GLY H . . 4.580 4.479 4.432 4.536 . 0 0 "[ . 1 . 2]" 1
462 1 45 GLU H 1 75 SER QB . . 4.220 3.214 2.871 3.450 . 0 0 "[ . 1 . 2]" 1
463 1 45 GLU H 1 76 ILE HA . . 4.660 3.824 3.571 4.033 . 0 0 "[ . 1 . 2]" 1
464 1 45 GLU H 1 76 ILE MD . . 5.500 4.265 4.012 4.599 . 0 0 "[ . 1 . 2]" 1
465 1 45 GLU HA 1 45 GLU QG . . 3.900 2.579 2.189 2.874 . 0 0 "[ . 1 . 2]" 1
466 1 45 GLU HA 1 46 GLY H . . 2.990 2.493 2.321 2.673 . 0 0 "[ . 1 . 2]" 1
467 1 45 GLU QB 1 46 GLY H . . 3.660 2.307 2.078 2.527 . 0 0 "[ . 1 . 2]" 1
468 1 45 GLU QB 1 75 SER H . . 4.090 3.405 2.709 3.651 . 0 0 "[ . 1 . 2]" 1
469 1 45 GLU QB 1 75 SER QB . . 3.390 2.226 2.014 2.406 . 0 0 "[ . 1 . 2]" 1
470 1 45 GLU HB2 1 46 GLY H . . 4.420 3.671 3.099 3.909 . 0 0 "[ . 1 . 2]" 1
471 1 45 GLU HB2 1 75 SER QB . . 4.180 2.259 2.025 2.456 . 0 0 "[ . 1 . 2]" 1
472 1 45 GLU HB3 1 46 GLY H . . 4.420 2.332 2.111 2.561 . 0 0 "[ . 1 . 2]" 1
473 1 45 GLU HB3 1 75 SER QB . . 4.180 3.374 3.023 3.624 . 0 0 "[ . 1 . 2]" 1
474 1 45 GLU QG 1 46 GLY H . . 4.290 3.879 3.341 4.213 . 0 0 "[ . 1 . 2]" 1
475 1 45 GLU QG 1 77 LEU QD . . 3.760 2.512 2.140 3.695 . 0 0 "[ . 1 . 2]" 1
476 1 46 GLY QA 1 47 PRO QD . . 2.920 2.043 1.982 2.095 . 0 0 "[ . 1 . 2]" 1
477 1 46 GLY QA 1 48 SER H . . 4.160 2.986 2.819 3.245 . 0 0 "[ . 1 . 2]" 1
478 1 46 GLY QA 1 74 TYR QD . . 4.920 3.412 2.751 3.859 . 0 0 "[ . 1 . 2]" 1
479 1 46 GLY HA2 1 47 PRO HD2 . . 3.790 3.084 2.899 3.586 . 0 0 "[ . 1 . 2]" 1
480 1 46 GLY HA2 1 47 PRO HD3 . . 3.790 2.976 2.737 3.465 . 0 0 "[ . 1 . 2]" 1
481 1 46 GLY HA2 1 48 SER H . . 4.940 4.233 4.075 4.478 . 0 0 "[ . 1 . 2]" 1
482 1 46 GLY HA3 1 47 PRO HD2 . . 3.790 2.162 2.069 2.255 . 0 0 "[ . 1 . 2]" 1
483 1 46 GLY HA3 1 47 PRO HD3 . . 3.790 3.103 2.677 3.307 . 0 0 "[ . 1 . 2]" 1
484 1 46 GLY HA3 1 48 SER H . . 4.940 3.053 2.874 3.335 . 0 0 "[ . 1 . 2]" 1
485 1 47 PRO QD 1 48 SER H . . 4.060 2.500 2.399 2.624 . 0 0 "[ . 1 . 2]" 1
486 1 47 PRO QD 1 74 TYR QE . . 4.550 3.205 2.876 3.582 . 0 0 "[ . 1 . 2]" 1
487 1 47 PRO HG2 1 48 SER H . . 4.240 2.457 2.224 2.631 . 0 0 "[ . 1 . 2]" 1
488 1 47 PRO HG2 1 48 SER HB2 . . 4.300 2.772 2.685 2.901 . 0 0 "[ . 1 . 2]" 1
489 1 47 PRO HG2 1 48 SER HB3 . . 4.300 2.768 2.715 2.851 . 0 0 "[ . 1 . 2]" 1
490 1 47 PRO HG2 1 74 TYR QE . . 4.430 3.539 3.117 4.107 . 0 0 "[ . 1 . 2]" 1
491 1 47 PRO HG3 1 72 GLY QA . . 4.640 2.152 2.061 2.311 . 0 0 "[ . 1 . 2]" 1
492 1 47 PRO HG3 1 73 ASP H . . 4.990 3.718 3.520 3.977 . 0 0 "[ . 1 . 2]" 1
493 1 47 PRO HG3 1 74 TYR QE . . 5.470 3.769 3.403 4.436 . 0 0 "[ . 1 . 2]" 1
494 1 48 SER QB 1 69 VAL QG . . 3.770 3.483 3.148 3.694 . 0 0 "[ . 1 . 2]" 1
495 1 48 SER QB 1 70 LEU H . . 4.610 3.619 2.993 3.923 . 0 0 "[ . 1 . 2]" 1
496 1 48 SER QB 1 70 LEU QB . . 3.750 2.470 2.157 2.832 . 0 0 "[ . 1 . 2]" 1
497 1 48 SER QB 1 70 LEU QD . . 4.160 2.937 2.468 3.410 . 0 0 "[ . 1 . 2]" 1
498 1 48 SER HB2 1 49 LYS H . . 4.220 3.955 3.625 4.316 0.096 11 0 "[ . 1 . 2]" 1
499 1 48 SER HB3 1 49 LYS H . . 4.220 3.467 3.039 4.253 0.033 13 0 "[ . 1 . 2]" 1
500 1 49 LYS H 1 49 LYS QB . . 3.600 2.601 2.263 2.868 . 0 0 "[ . 1 . 2]" 1
501 1 49 LYS HA 1 50 ALA H . . 3.050 2.316 2.052 2.793 . 0 0 "[ . 1 . 2]" 1
502 1 49 LYS HA 1 50 ALA MB . . 4.620 3.848 3.641 4.040 . 0 0 "[ . 1 . 2]" 1
503 1 49 LYS QB 1 50 ALA H . . 4.220 2.840 1.966 4.009 . 0 0 "[ . 1 . 2]" 1
504 1 49 LYS HB2 1 50 ALA H . . 4.890 3.762 1.976 4.508 . 0 0 "[ . 1 . 2]" 1
505 1 49 LYS HB3 1 50 ALA H . . 4.890 3.123 2.148 4.512 . 0 0 "[ . 1 . 2]" 1
506 1 50 ALA H 1 50 ALA MB . . 3.440 2.457 2.130 2.723 . 0 0 "[ . 1 . 2]" 1
507 1 50 ALA HA 1 51 GLU H . . 2.940 2.338 2.196 2.671 . 0 0 "[ . 1 . 2]" 1
508 1 50 ALA MB 1 51 GLU H . . 3.580 2.613 2.193 3.293 . 0 0 "[ . 1 . 2]" 1
509 1 50 ALA MB 1 52 ILE MD . . 4.530 3.500 2.309 4.376 . 0 0 "[ . 1 . 2]" 1
510 1 50 ALA MB 1 66 TYR HA . . 4.590 3.826 3.440 4.452 . 0 0 "[ . 1 . 2]" 1
511 1 50 ALA MB 1 66 TYR HB2 . . 4.410 2.307 2.090 2.525 . 0 0 "[ . 1 . 2]" 1
512 1 50 ALA MB 1 66 TYR QB . . 3.650 2.284 2.072 2.496 . 0 0 "[ . 1 . 2]" 1
513 1 50 ALA MB 1 66 TYR HB3 . . 4.410 3.681 3.399 3.928 . 0 0 "[ . 1 . 2]" 1
514 1 50 ALA MB 1 66 TYR QD . . 4.440 2.303 1.986 2.797 . 0 0 "[ . 1 . 2]" 1
515 1 50 ALA MB 1 67 LEU H . . 3.890 2.300 1.768 3.230 . 0 0 "[ . 1 . 2]" 1
516 1 50 ALA MB 1 68 PRO QD . . 4.790 3.418 2.733 4.344 . 0 0 "[ . 1 . 2]" 1
517 1 50 ALA MB 1 74 TYR QD . . 5.070 3.530 2.724 4.127 . 0 0 "[ . 1 . 2]" 1
518 1 50 ALA MB 1 74 TYR QE . . 4.060 2.765 2.318 3.292 . 0 0 "[ . 1 . 2]" 1
519 1 51 GLU H 1 51 GLU QB . . 3.040 2.318 2.128 2.593 . 0 0 "[ . 1 . 2]" 1
520 1 51 GLU H 1 51 GLU HG2 . . 4.700 4.380 2.176 4.557 . 0 0 "[ . 1 . 2]" 1
521 1 51 GLU H 1 51 GLU QG . . 4.100 3.926 2.149 4.126 0.026 7 0 "[ . 1 . 2]" 1
522 1 51 GLU H 1 51 GLU HG3 . . 4.700 4.471 3.330 4.725 0.025 7 0 "[ . 1 . 2]" 1
523 1 51 GLU H 1 67 LEU H . . 4.170 2.921 2.290 4.061 . 0 0 "[ . 1 . 2]" 1
524 1 51 GLU HA 1 52 ILE H . . 2.960 2.258 2.071 3.135 0.175 1 0 "[ . 1 . 2]" 1
525 1 51 GLU QB 1 52 ILE H . . 4.450 3.877 3.459 4.086 . 0 0 "[ . 1 . 2]" 1
526 1 51 GLU QB 1 66 TYR HA . . 5.170 4.340 2.515 5.089 . 0 0 "[ . 1 . 2]" 1
527 1 51 GLU HB2 1 52 ILE H . . 5.310 4.388 3.944 4.625 . 0 0 "[ . 1 . 2]" 1
528 1 51 GLU HB3 1 52 ILE H . . 5.310 4.319 3.827 4.550 . 0 0 "[ . 1 . 2]" 1
529 1 51 GLU QG 1 52 ILE H . . 4.390 3.126 2.460 3.817 . 0 0 "[ . 1 . 2]" 1
530 1 52 ILE H 1 52 ILE HB . . 3.560 2.621 2.085 3.566 0.006 1 0 "[ . 1 . 2]" 1
531 1 52 ILE H 1 52 ILE MD . . 4.360 3.351 2.070 3.971 . 0 0 "[ . 1 . 2]" 1
532 1 52 ILE H 1 52 ILE HG12 . . 4.220 2.942 2.069 3.818 . 0 0 "[ . 1 . 2]" 1
533 1 52 ILE H 1 52 ILE QG . . 3.510 2.373 1.934 3.383 . 0 0 "[ . 1 . 2]" 1
534 1 52 ILE H 1 52 ILE HG13 . . 4.220 3.084 1.953 4.287 0.067 14 0 "[ . 1 . 2]" 1
535 1 52 ILE HA 1 53 SER H . . 3.040 2.174 2.101 2.251 . 0 0 "[ . 1 . 2]" 1
536 1 52 ILE HA 1 64 VAL QG . . 4.850 3.772 2.968 4.288 . 0 0 "[ . 1 . 2]" 1
537 1 52 ILE HB 1 52 ILE MD . . 3.680 2.815 2.346 3.302 . 0 0 "[ . 1 . 2]" 1
538 1 52 ILE MD 1 64 VAL QG . . 4.470 3.779 2.764 4.350 . 0 0 "[ . 1 . 2]" 1
539 1 52 ILE MG 1 53 SER H . . 3.840 2.757 2.385 3.639 . 0 0 "[ . 1 . 2]" 1
540 1 52 ILE MG 1 64 VAL QG . . 3.440 2.495 2.106 3.266 . 0 0 "[ . 1 . 2]" 1
541 1 53 SER H 1 53 SER QB . . 3.680 2.678 2.351 2.827 . 0 0 "[ . 1 . 2]" 1
542 1 53 SER H 1 64 VAL QG . . 4.180 3.299 2.243 4.161 . 0 0 "[ . 1 . 2]" 1
543 1 53 SER H 1 65 SER H . . 3.890 3.289 2.947 3.867 . 0 0 "[ . 1 . 2]" 1
544 1 53 SER H 1 66 TYR HA . . 5.190 3.689 3.158 4.722 . 0 0 "[ . 1 . 2]" 1
545 1 53 SER HA 1 54 CYS H . . 3.090 2.383 2.182 2.620 . 0 0 "[ . 1 . 2]" 1
546 1 53 SER QB 1 54 CYS H . . 4.380 3.175 2.352 4.019 . 0 0 "[ . 1 . 2]" 1
547 1 53 SER QB 1 65 SER H . . 4.380 3.578 3.206 3.955 . 0 0 "[ . 1 . 2]" 1
548 1 53 SER HB2 1 54 CYS H . . 5.120 4.042 3.662 4.609 . 0 0 "[ . 1 . 2]" 1
549 1 53 SER HB3 1 54 CYS H . . 5.120 3.362 2.381 4.471 . 0 0 "[ . 1 . 2]" 1
550 1 54 CYS H 1 54 CYS HB2 . . 4.170 3.704 2.567 4.031 . 0 0 "[ . 1 . 2]" 1
551 1 54 CYS H 1 54 CYS QB . . 3.630 3.012 2.513 3.283 . 0 0 "[ . 1 . 2]" 1
552 1 54 CYS H 1 54 CYS HB3 . . 4.170 3.315 2.626 3.885 . 0 0 "[ . 1 . 2]" 1
553 1 54 CYS HA 1 55 THR H . . 3.150 2.378 2.219 2.550 . 0 0 "[ . 1 . 2]" 1
554 1 54 CYS HA 1 64 VAL HA . . 3.550 2.401 2.065 3.154 . 0 0 "[ . 1 . 2]" 1
555 1 54 CYS HA 1 64 VAL QG . . 4.470 3.200 2.207 4.065 . 0 0 "[ . 1 . 2]" 1
556 1 54 CYS HA 1 65 SER H . . 4.970 3.225 2.736 3.637 . 0 0 "[ . 1 . 2]" 1
557 1 54 CYS QB 1 64 VAL QG . . 3.910 2.679 2.106 3.404 . 0 0 "[ . 1 . 2]" 1
558 1 55 THR H 1 55 THR HB . . 3.860 2.755 2.316 2.984 . 0 0 "[ . 1 . 2]" 1
559 1 55 THR H 1 63 SER H . . 4.140 4.184 3.649 4.317 0.177 8 0 "[ . 1 . 2]" 1
560 1 55 THR H 1 63 SER HB2 . . 4.430 3.515 2.780 4.564 0.134 17 0 "[ . 1 . 2]" 1
561 1 55 THR H 1 63 SER HB3 . . 4.430 4.120 2.940 4.513 0.083 14 0 "[ . 1 . 2]" 1
562 1 55 THR HA 1 56 ASP H . . 3.190 2.200 2.104 2.384 . 0 0 "[ . 1 . 2]" 1
563 1 55 THR HB 1 56 ASP H . . 4.430 4.197 3.693 4.487 0.057 8 0 "[ . 1 . 2]" 1
564 1 55 THR HB 1 63 SER H . . 4.850 4.500 3.047 4.965 0.115 3 0 "[ . 1 . 2]" 1
565 1 55 THR HB 1 63 SER QB . . 4.220 2.279 1.878 2.867 . 0 0 "[ . 1 . 2]" 1
566 1 55 THR MG 1 56 ASP H . . 4.030 2.939 2.184 3.711 . 0 0 "[ . 1 . 2]" 1
567 1 56 ASP H 1 56 ASP HB2 . . 3.790 2.755 2.210 3.683 . 0 0 "[ . 1 . 2]" 1
568 1 56 ASP H 1 56 ASP HB3 . . 3.790 2.745 2.284 3.598 . 0 0 "[ . 1 . 2]" 1
569 1 57 ASN H 1 57 ASN HB2 . . 4.130 2.848 2.116 4.097 . 0 0 "[ . 1 . 2]" 1
570 1 57 ASN H 1 57 ASN QB . . 3.610 2.549 2.093 3.426 . 0 0 "[ . 1 . 2]" 1
571 1 57 ASN H 1 57 ASN HB3 . . 4.130 3.287 2.232 3.996 . 0 0 "[ . 1 . 2]" 1
572 1 57 ASN H 1 58 GLN H . . 4.310 4.291 3.039 4.498 0.188 5 0 "[ . 1 . 2]" 1
573 1 57 ASN QB 1 59 ASP H . . 4.120 3.124 2.305 4.191 0.071 11 0 "[ . 1 . 2]" 1
574 1 58 GLN H 1 59 ASP H . . 4.010 2.864 2.124 3.820 . 0 0 "[ . 1 . 2]" 1
575 1 58 GLN QB 1 59 ASP H . . 4.040 3.195 2.183 4.047 0.007 8 0 "[ . 1 . 2]" 1
576 1 59 ASP H 1 59 ASP QB . . 3.670 2.352 2.185 2.903 . 0 0 "[ . 1 . 2]" 1
577 1 59 ASP H 1 60 GLY H . . 3.510 2.478 1.775 2.680 . 0 0 "[ . 1 . 2]" 1
578 1 59 ASP H 1 60 GLY QA . . 5.030 4.425 3.986 4.602 . 0 0 "[ . 1 . 2]" 1
579 1 59 ASP H 1 61 THR H . . 4.410 3.794 2.865 4.337 . 0 0 "[ . 1 . 2]" 1
580 1 59 ASP H 1 61 THR MG . . 4.800 4.486 2.793 4.882 0.082 13 0 "[ . 1 . 2]" 1
581 1 60 GLY H 1 61 THR H . . 3.920 2.508 1.881 2.879 . 0 0 "[ . 1 . 2]" 1
582 1 61 THR H 1 61 THR MG . . 3.880 2.560 2.216 3.105 . 0 0 "[ . 1 . 2]" 1
583 1 61 THR HA 1 62 CYS H . . 3.320 2.327 2.086 2.590 . 0 0 "[ . 1 . 2]" 1
584 1 61 THR HB 1 62 CYS H . . 3.790 2.960 2.272 3.885 0.095 4 0 "[ . 1 . 2]" 1
585 1 61 THR MG 1 62 CYS H . . 3.800 3.706 3.227 3.873 0.073 9 0 "[ . 1 . 2]" 1
586 1 61 THR MG 1 63 SER H . . 4.800 3.923 2.329 4.855 0.055 9 0 "[ . 1 . 2]" 1
587 1 62 CYS H 1 62 CYS QB . . 3.470 2.396 1.999 2.554 . 0 0 "[ . 1 . 2]" 1
588 1 62 CYS H 1 63 SER HA . . 5.500 4.429 3.972 5.276 . 0 0 "[ . 1 . 2]" 1
589 1 62 CYS QB 1 63 SER H . . 4.370 3.732 3.399 4.043 . 0 0 "[ . 1 . 2]" 1
590 1 62 CYS QB 1 63 SER HA . . 5.340 4.771 4.453 5.046 . 0 0 "[ . 1 . 2]" 1
591 1 62 CYS QB 1 64 VAL QG . . 4.400 3.336 2.141 3.836 . 0 0 "[ . 1 . 2]" 1
592 1 62 CYS HB2 1 63 SER H . . 5.100 4.398 4.093 4.658 . 0 0 "[ . 1 . 2]" 1
593 1 62 CYS HB3 1 63 SER H . . 5.100 4.039 3.632 4.437 . 0 0 "[ . 1 . 2]" 1
594 1 63 SER H 1 63 SER HB2 . . 4.000 2.658 2.292 3.027 . 0 0 "[ . 1 . 2]" 1
595 1 63 SER H 1 63 SER QB . . 3.510 2.582 2.204 2.910 . 0 0 "[ . 1 . 2]" 1
596 1 63 SER H 1 63 SER HB3 . . 4.000 3.542 2.864 3.768 . 0 0 "[ . 1 . 2]" 1
597 1 63 SER HA 1 64 VAL H . . 3.200 2.238 2.097 2.532 . 0 0 "[ . 1 . 2]" 1
598 1 63 SER HA 1 64 VAL QG . . 4.590 3.895 3.385 4.293 . 0 0 "[ . 1 . 2]" 1
599 1 63 SER HB2 1 64 VAL H . . 4.680 4.479 4.219 4.675 . 0 0 "[ . 1 . 2]" 1
600 1 63 SER HB3 1 64 VAL H . . 4.680 3.951 3.068 4.498 . 0 0 "[ . 1 . 2]" 1
601 1 64 VAL H 1 64 VAL HB . . 3.660 2.435 2.273 2.758 . 0 0 "[ . 1 . 2]" 1
602 1 64 VAL H 1 64 VAL QG . . 3.630 2.495 2.146 3.066 . 0 0 "[ . 1 . 2]" 1
603 1 64 VAL HA 1 65 SER H . . 3.100 2.106 1.980 2.178 . 0 0 "[ . 1 . 2]" 1
604 1 64 VAL QG 1 65 SER H . . 3.520 2.640 2.365 3.182 . 0 0 "[ . 1 . 2]" 1
605 1 65 SER HA 1 66 TYR H . . 3.160 2.205 2.146 2.289 . 0 0 "[ . 1 . 2]" 1
606 1 65 SER QB 1 66 TYR H . . 3.670 3.035 2.524 3.488 . 0 0 "[ . 1 . 2]" 1
607 1 66 TYR HA 1 67 LEU H . . 3.270 2.468 2.162 2.623 . 0 0 "[ . 1 . 2]" 1
608 1 66 TYR HA 1 67 LEU HB2 . . 5.500 3.834 3.671 4.132 . 0 0 "[ . 1 . 2]" 1
609 1 66 TYR HA 1 67 LEU QB . . 4.810 3.672 3.549 3.841 . 0 0 "[ . 1 . 2]" 1
610 1 66 TYR HA 1 67 LEU HB3 . . 5.500 4.815 4.152 5.401 . 0 0 "[ . 1 . 2]" 1
611 1 66 TYR QB 1 67 LEU H . . 4.050 2.383 2.135 2.743 . 0 0 "[ . 1 . 2]" 1
612 1 66 TYR HB2 1 67 LEU H . . 4.830 2.408 2.151 2.794 . 0 0 "[ . 1 . 2]" 1
613 1 66 TYR HB3 1 67 LEU H . . 4.830 3.802 3.595 4.006 . 0 0 "[ . 1 . 2]" 1
614 1 66 TYR QD 1 68 PRO QD . . 5.350 2.603 2.287 3.149 . 0 0 "[ . 1 . 2]" 1
615 1 66 TYR QE 1 68 PRO QD . . 5.350 3.036 2.758 3.516 . 0 0 "[ . 1 . 2]" 1
616 1 66 TYR QE 1 68 PRO HG3 . . 5.220 3.174 2.534 4.046 . 0 0 "[ . 1 . 2]" 1
617 1 67 LEU H 1 67 LEU HB2 . . 4.110 2.899 2.438 3.235 . 0 0 "[ . 1 . 2]" 1
618 1 67 LEU H 1 67 LEU QB . . 3.340 2.631 2.393 2.738 . 0 0 "[ . 1 . 2]" 1
619 1 67 LEU H 1 67 LEU HB3 . . 4.110 3.137 2.737 3.485 . 0 0 "[ . 1 . 2]" 1
620 1 67 LEU HA 1 67 LEU MD1 . . 4.660 3.776 3.489 3.880 . 0 0 "[ . 1 . 2]" 1
621 1 67 LEU HA 1 67 LEU QD . . 3.730 2.236 2.107 2.465 . 0 0 "[ . 1 . 2]" 1
622 1 67 LEU HA 1 67 LEU MD2 . . 4.660 2.253 2.124 2.493 . 0 0 "[ . 1 . 2]" 1
623 1 67 LEU HA 1 68 PRO HD2 . . 3.680 2.134 2.031 2.265 . 0 0 "[ . 1 . 2]" 1
624 1 67 LEU HA 1 68 PRO QD . . 3.230 2.055 1.984 2.132 . 0 0 "[ . 1 . 2]" 1
625 1 67 LEU HA 1 68 PRO HD3 . . 3.680 2.695 2.547 2.844 . 0 0 "[ . 1 . 2]" 1
626 1 67 LEU QD 1 68 PRO QD . . 4.150 2.650 2.397 2.886 . 0 0 "[ . 1 . 2]" 1
627 1 68 PRO HA 1 69 VAL H . . 3.250 2.187 2.075 2.279 . 0 0 "[ . 1 . 2]" 1
628 1 68 PRO HA 1 69 VAL QG . . 4.440 3.248 3.015 3.399 . 0 0 "[ . 1 . 2]" 1
629 1 68 PRO HA 1 70 LEU H . . 4.360 3.893 3.585 4.231 . 0 0 "[ . 1 . 2]" 1
630 1 68 PRO QB 1 69 VAL H . . 3.670 3.167 2.814 3.467 . 0 0 "[ . 1 . 2]" 1
631 1 68 PRO QB 1 69 VAL QG . . 5.280 4.125 3.931 4.305 . 0 0 "[ . 1 . 2]" 1
632 1 68 PRO QB 1 94 VAL QG . . 3.820 2.122 1.926 2.556 . 0 0 "[ . 1 . 2]" 1
633 1 68 PRO HB2 1 69 VAL H . . 4.220 3.355 2.922 3.757 . 0 0 "[ . 1 . 2]" 1
634 1 68 PRO HB3 1 69 VAL H . . 4.220 3.910 3.675 4.098 . 0 0 "[ . 1 . 2]" 1
635 1 68 PRO HG2 1 94 VAL QG . . 3.800 2.473 2.218 2.927 . 0 0 "[ . 1 . 2]" 1
636 1 68 PRO HG3 1 94 VAL MG1 . . 4.240 2.412 2.124 3.210 . 0 0 "[ . 1 . 2]" 1
637 1 68 PRO HG3 1 94 VAL QG . . 3.620 2.204 2.033 2.458 . 0 0 "[ . 1 . 2]" 1
638 1 68 PRO HG3 1 94 VAL MG2 . . 4.240 2.675 2.192 3.173 . 0 0 "[ . 1 . 2]" 1
639 1 69 VAL H 1 69 VAL QG . . 3.440 2.033 1.929 2.167 . 0 0 "[ . 1 . 2]" 1
640 1 69 VAL H 1 70 LEU H . . 3.400 2.348 2.056 2.637 . 0 0 "[ . 1 . 2]" 1
641 1 69 VAL H 1 74 TYR HH . . 4.610 3.473 2.363 3.936 . 0 0 "[ . 1 . 2]" 1
642 1 69 VAL HB 1 70 LEU H . . 4.420 4.214 4.108 4.339 . 0 0 "[ . 1 . 2]" 1
643 1 69 VAL QG 1 70 LEU H . . 3.960 2.881 2.717 3.119 . 0 0 "[ . 1 . 2]" 1
644 1 69 VAL QG 1 70 LEU QB . . 3.580 2.877 2.464 3.205 . 0 0 "[ . 1 . 2]" 1
645 1 69 VAL QG 1 70 LEU HG . . 5.440 4.262 2.724 5.249 . 0 0 "[ . 1 . 2]" 1
646 1 70 LEU H 1 70 LEU HB2 . . 3.680 2.927 2.670 3.196 . 0 0 "[ . 1 . 2]" 1
647 1 70 LEU H 1 70 LEU HB3 . . 3.680 3.317 2.883 3.753 0.073 5 0 "[ . 1 . 2]" 1
648 1 70 LEU H 1 74 TYR HH . . 3.900 2.538 2.065 3.374 . 0 0 "[ . 1 . 2]" 1
649 1 70 LEU HA 1 70 LEU MD1 . . 4.680 3.587 3.113 3.872 . 0 0 "[ . 1 . 2]" 1
650 1 70 LEU HA 1 70 LEU QD . . 3.590 2.676 2.042 3.056 . 0 0 "[ . 1 . 2]" 1
651 1 70 LEU HA 1 70 LEU MD2 . . 4.680 2.880 2.049 3.526 . 0 0 "[ . 1 . 2]" 1
652 1 70 LEU HA 1 70 LEU HG . . 4.010 2.477 2.186 2.878 . 0 0 "[ . 1 . 2]" 1
653 1 70 LEU HA 1 71 PRO HD2 . . 3.630 2.651 2.398 2.829 . 0 0 "[ . 1 . 2]" 1
654 1 70 LEU HA 1 71 PRO HD3 . . 3.630 2.116 1.976 2.325 . 0 0 "[ . 1 . 2]" 1
655 1 70 LEU QB 1 71 PRO QD . . 3.910 2.983 2.131 3.666 . 0 0 "[ . 1 . 2]" 1
656 1 70 LEU HB2 1 71 PRO HD2 . . 5.500 4.219 3.686 4.732 . 0 0 "[ . 1 . 2]" 1
657 1 70 LEU HB2 1 71 PRO HD3 . . 5.500 4.584 4.455 4.685 . 0 0 "[ . 1 . 2]" 1
658 1 70 LEU HB2 1 74 TYR HH . . 5.170 4.087 3.278 5.141 . 0 0 "[ . 1 . 2]" 1
659 1 70 LEU HB3 1 71 PRO HD2 . . 5.500 3.428 2.168 4.609 . 0 0 "[ . 1 . 2]" 1
660 1 70 LEU HB3 1 71 PRO HD3 . . 5.500 4.144 3.350 4.775 . 0 0 "[ . 1 . 2]" 1
661 1 70 LEU HB3 1 74 TYR HH . . 5.170 3.816 2.708 5.271 0.101 15 0 "[ . 1 . 2]" 1
662 1 70 LEU QD 1 71 PRO QD . . 3.450 2.336 1.956 2.787 . 0 0 "[ . 1 . 2]" 1
663 1 70 LEU HG 1 71 PRO QD . . 4.300 2.941 2.062 4.027 . 0 0 "[ . 1 . 2]" 1
664 1 71 PRO HA 1 72 GLY H . . 3.400 2.315 2.184 2.463 . 0 0 "[ . 1 . 2]" 1
665 1 71 PRO HA 1 94 VAL HB . . 3.600 2.835 2.387 3.632 0.032 18 0 "[ . 1 . 2]" 1
666 1 71 PRO QB 1 72 GLY H . . 3.450 2.945 2.566 3.359 . 0 0 "[ . 1 . 2]" 1
667 1 71 PRO QB 1 96 GLY QA . . 3.880 2.911 2.217 3.595 . 0 0 "[ . 1 . 2]" 1
668 1 71 PRO QG 1 96 GLY QA . . 3.980 2.303 2.012 3.024 . 0 0 "[ . 1 . 2]" 1
669 1 72 GLY H 1 74 TYR QE . . 4.350 3.353 2.963 3.989 . 0 0 "[ . 1 . 2]" 1
670 1 72 GLY H 1 94 VAL H . . 3.990 3.793 3.457 4.134 0.144 7 0 "[ . 1 . 2]" 1
671 1 72 GLY H 1 94 VAL HA . . 5.500 4.740 4.452 5.122 . 0 0 "[ . 1 . 2]" 1
672 1 72 GLY H 1 94 VAL HB . . 3.710 2.363 2.055 2.650 . 0 0 "[ . 1 . 2]" 1
673 1 72 GLY H 1 94 VAL MG1 . . 5.090 3.673 3.116 4.097 . 0 0 "[ . 1 . 2]" 1
674 1 72 GLY H 1 94 VAL QG . . 4.360 3.299 2.958 3.525 . 0 0 "[ . 1 . 2]" 1
675 1 72 GLY H 1 94 VAL MG2 . . 5.090 3.788 3.404 4.260 . 0 0 "[ . 1 . 2]" 1
676 1 72 GLY H 1 95 THR HA . . 5.500 4.708 4.085 5.485 . 0 0 "[ . 1 . 2]" 1
677 1 73 ASP H 1 73 ASP HB2 . . 4.060 2.811 2.348 3.716 . 0 0 "[ . 1 . 2]" 1
678 1 73 ASP H 1 73 ASP QB . . 3.380 2.552 2.319 2.857 . 0 0 "[ . 1 . 2]" 1
679 1 73 ASP H 1 73 ASP HB3 . . 4.060 3.449 2.778 3.752 . 0 0 "[ . 1 . 2]" 1
680 1 73 ASP HA 1 74 TYR H . . 3.220 2.278 2.141 2.424 . 0 0 "[ . 1 . 2]" 1
681 1 73 ASP HA 1 94 VAL H . . 4.990 3.831 3.564 4.449 . 0 0 "[ . 1 . 2]" 1
682 1 73 ASP QB 1 91 THR MG . . 3.650 2.553 2.261 3.653 0.003 19 0 "[ . 1 . 2]" 1
683 1 74 TYR H 1 74 TYR HB2 . . 4.040 2.367 2.217 2.533 . 0 0 "[ . 1 . 2]" 1
684 1 74 TYR H 1 74 TYR QB . . 3.490 2.336 2.194 2.493 . 0 0 "[ . 1 . 2]" 1
685 1 74 TYR H 1 74 TYR HB3 . . 4.040 3.592 3.515 3.710 . 0 0 "[ . 1 . 2]" 1
686 1 74 TYR H 1 74 TYR QD . . 3.940 2.359 2.090 2.657 . 0 0 "[ . 1 . 2]" 1
687 1 74 TYR H 1 91 THR MG . . 4.660 3.986 3.308 4.405 . 0 0 "[ . 1 . 2]" 1
688 1 74 TYR H 1 92 ALA MB . . 4.920 3.562 3.155 3.981 . 0 0 "[ . 1 . 2]" 1
689 1 74 TYR QB 1 75 SER H . . 4.250 3.142 2.476 3.762 . 0 0 "[ . 1 . 2]" 1
690 1 74 TYR QB 1 76 ILE MD . . 3.640 3.000 2.688 3.322 . 0 0 "[ . 1 . 2]" 1
691 1 74 TYR QB 1 92 ALA MB . . 4.390 2.447 2.238 2.837 . 0 0 "[ . 1 . 2]" 1
692 1 74 TYR QB 1 94 VAL QG . . 4.870 2.612 2.322 3.114 . 0 0 "[ . 1 . 2]" 1
693 1 74 TYR HB2 1 92 ALA MB . . 5.080 2.505 2.292 2.922 . 0 0 "[ . 1 . 2]" 1
694 1 74 TYR HB3 1 92 ALA MB . . 5.080 3.455 3.131 3.840 . 0 0 "[ . 1 . 2]" 1
695 1 74 TYR QD 1 94 VAL H . . 4.570 3.472 2.959 3.789 . 0 0 "[ . 1 . 2]" 1
696 1 74 TYR QD 1 94 VAL HB . . 4.390 3.277 2.515 3.803 . 0 0 "[ . 1 . 2]" 1
697 1 74 TYR QD 1 94 VAL QG . . 3.910 2.338 2.082 2.574 . 0 0 "[ . 1 . 2]" 1
698 1 74 TYR QE 1 94 VAL H . . 5.050 4.838 4.255 5.120 0.070 15 0 "[ . 1 . 2]" 1
699 1 74 TYR QE 1 94 VAL HB . . 3.690 3.069 2.552 3.708 0.018 16 0 "[ . 1 . 2]" 1
700 1 74 TYR QE 1 94 VAL MG1 . . 4.350 3.542 2.809 3.951 . 0 0 "[ . 1 . 2]" 1
701 1 74 TYR QE 1 94 VAL QG . . 3.540 2.845 2.551 3.018 . 0 0 "[ . 1 . 2]" 1
702 1 74 TYR QE 1 94 VAL MG2 . . 4.350 3.024 2.671 3.194 . 0 0 "[ . 1 . 2]" 1
703 1 75 SER H 1 75 SER QB . . 3.340 2.476 2.245 2.728 . 0 0 "[ . 1 . 2]" 1
704 1 75 SER H 1 91 THR HA . . 5.220 4.623 4.058 5.091 . 0 0 "[ . 1 . 2]" 1
705 1 75 SER HA 1 76 ILE H . . 3.180 2.177 2.056 2.240 . 0 0 "[ . 1 . 2]" 1
706 1 75 SER HA 1 91 THR H . . 4.650 4.469 2.691 4.797 0.147 7 0 "[ . 1 . 2]" 1
707 1 75 SER HA 1 91 THR MG . . 5.070 3.541 2.941 4.473 . 0 0 "[ . 1 . 2]" 1
708 1 75 SER HA 1 92 ALA H . . 4.570 3.372 2.984 3.662 . 0 0 "[ . 1 . 2]" 1
709 1 75 SER HA 1 92 ALA MB . . 5.500 4.623 4.282 4.953 . 0 0 "[ . 1 . 2]" 1
710 1 75 SER QB 1 76 ILE H . . 4.380 3.383 2.694 3.924 . 0 0 "[ . 1 . 2]" 1
711 1 75 SER QB 1 77 LEU QD . . 3.660 2.477 2.082 2.877 . 0 0 "[ . 1 . 2]" 1
712 1 76 ILE H 1 76 ILE HB . . 3.640 2.824 2.437 3.013 . 0 0 "[ . 1 . 2]" 1
713 1 76 ILE H 1 76 ILE MD . . 3.910 3.123 2.269 3.599 . 0 0 "[ . 1 . 2]" 1
714 1 76 ILE H 1 76 ILE QG . . 3.760 2.493 1.992 3.503 . 0 0 "[ . 1 . 2]" 1
715 1 76 ILE H 1 91 THR HA . . 4.380 3.475 2.796 4.150 . 0 0 "[ . 1 . 2]" 1
716 1 76 ILE HA 1 76 ILE MD . . 4.320 2.648 2.500 3.053 . 0 0 "[ . 1 . 2]" 1
717 1 76 ILE HA 1 77 LEU H . . 3.280 2.137 2.088 2.206 . 0 0 "[ . 1 . 2]" 1
718 1 76 ILE HA 1 77 LEU QD . . 4.330 3.198 2.704 3.546 . 0 0 "[ . 1 . 2]" 1
719 1 76 ILE HB 1 90 PHE HB2 . . 4.220 2.168 2.091 2.222 . 0 0 "[ . 1 . 2]" 1
720 1 76 ILE HB 1 90 PHE QB . . 3.540 2.156 2.082 2.209 . 0 0 "[ . 1 . 2]" 1
721 1 76 ILE HB 1 90 PHE HB3 . . 4.220 3.834 3.715 3.921 . 0 0 "[ . 1 . 2]" 1
722 1 76 ILE HB 1 90 PHE QD . . 4.320 2.712 2.281 3.387 . 0 0 "[ . 1 . 2]" 1
723 1 76 ILE MD 1 90 PHE H . . 5.500 5.154 4.313 5.505 0.005 11 0 "[ . 1 . 2]" 1
724 1 76 ILE MD 1 90 PHE HB2 . . 5.420 4.108 3.001 4.472 . 0 0 "[ . 1 . 2]" 1
725 1 76 ILE MD 1 90 PHE QB . . 4.610 3.895 2.904 4.173 . 0 0 "[ . 1 . 2]" 1
726 1 76 ILE MD 1 90 PHE HB3 . . 5.420 4.852 3.868 5.042 . 0 0 "[ . 1 . 2]" 1
727 1 76 ILE MD 1 92 ALA H . . 5.500 3.551 2.481 4.240 . 0 0 "[ . 1 . 2]" 1
728 1 76 ILE MD 1 92 ALA MB . . 3.840 2.443 2.039 3.014 . 0 0 "[ . 1 . 2]" 1
729 1 76 ILE QG 1 90 PHE QD . . 5.340 3.896 3.474 4.384 . 0 0 "[ . 1 . 2]" 1
730 1 76 ILE QG 1 92 ALA H . . 5.340 3.539 2.807 4.758 . 0 0 "[ . 1 . 2]" 1
731 1 76 ILE MG 1 77 LEU H . . 4.070 2.867 2.517 3.286 . 0 0 "[ . 1 . 2]" 1
732 1 76 ILE MG 1 78 VAL QG . . 3.220 2.142 1.975 2.406 . 0 0 "[ . 1 . 2]" 1
733 1 76 ILE MG 1 90 PHE H . . 5.270 4.339 3.795 4.632 . 0 0 "[ . 1 . 2]" 1
734 1 76 ILE MG 1 90 PHE QB . . 4.870 3.601 3.337 3.738 . 0 0 "[ . 1 . 2]" 1
735 1 76 ILE MG 1 90 PHE QD . . 4.390 3.422 2.590 4.240 . 0 0 "[ . 1 . 2]" 1
736 1 77 LEU H 1 77 LEU HB2 . . 3.920 2.449 2.254 2.558 . 0 0 "[ . 1 . 2]" 1
737 1 77 LEU H 1 77 LEU QB . . 3.370 2.413 2.230 2.515 . 0 0 "[ . 1 . 2]" 1
738 1 77 LEU H 1 77 LEU HB3 . . 3.920 3.644 3.544 3.719 . 0 0 "[ . 1 . 2]" 1
739 1 77 LEU H 1 77 LEU QD . . 3.630 2.483 2.283 2.828 . 0 0 "[ . 1 . 2]" 1
740 1 77 LEU H 1 77 LEU HG . . 4.460 4.241 3.932 4.478 0.018 13 0 "[ . 1 . 2]" 1
741 1 77 LEU HA 1 77 LEU HG . . 4.170 3.801 3.725 3.876 . 0 0 "[ . 1 . 2]" 1
742 1 77 LEU HA 1 78 VAL H . . 3.320 2.315 2.209 2.534 . 0 0 "[ . 1 . 2]" 1
743 1 77 LEU HA 1 84 HIS HE1 . . 4.310 3.882 2.644 4.407 0.097 5 0 "[ . 1 . 2]" 1
744 1 77 LEU QB 1 84 HIS HE1 . . 4.200 2.558 2.204 3.786 . 0 0 "[ . 1 . 2]" 1
745 1 77 LEU QD 1 84 HIS HE1 . . 3.980 2.532 2.176 3.032 . 0 0 "[ . 1 . 2]" 1
746 1 77 LEU QD 1 89 PRO HA . . 4.450 3.421 2.938 3.906 . 0 0 "[ . 1 . 2]" 1
747 1 77 LEU QD 1 89 PRO QD . . 4.660 3.731 3.188 4.020 . 0 0 "[ . 1 . 2]" 1
748 1 77 LEU MD1 1 89 PRO HA . . 5.120 3.531 2.970 4.149 . 0 0 "[ . 1 . 2]" 1
749 1 77 LEU MD2 1 89 PRO HA . . 5.120 4.768 3.893 5.192 0.072 2 0 "[ . 1 . 2]" 1
750 1 77 LEU HG 1 84 HIS HE1 . . 4.020 3.746 2.807 4.077 0.057 12 0 "[ . 1 . 2]" 1
751 1 78 VAL H 1 78 VAL HB . . 3.910 2.678 2.534 2.804 . 0 0 "[ . 1 . 2]" 1
752 1 78 VAL H 1 78 VAL QG . . 3.800 2.424 2.222 2.942 . 0 0 "[ . 1 . 2]" 1
753 1 78 VAL H 1 85 VAL MG1 . . 4.940 4.373 3.999 4.674 . 0 0 "[ . 1 . 2]" 1
754 1 78 VAL H 1 88 SER HB2 . . 4.100 4.110 3.945 4.173 0.073 4 0 "[ . 1 . 2]" 1
755 1 78 VAL H 1 88 SER QB . . 3.590 2.967 2.668 3.161 . 0 0 "[ . 1 . 2]" 1
756 1 78 VAL H 1 88 SER HB3 . . 4.100 3.049 2.702 3.283 . 0 0 "[ . 1 . 2]" 1
757 1 78 VAL HA 1 79 LYS H . . 3.140 2.163 2.075 2.247 . 0 0 "[ . 1 . 2]" 1
758 1 78 VAL HB 1 79 LYS H . . 5.140 4.154 3.962 4.463 . 0 0 "[ . 1 . 2]" 1
759 1 78 VAL HB 1 85 VAL MG1 . . 3.570 2.500 2.264 2.869 . 0 0 "[ . 1 . 2]" 1
760 1 78 VAL HB 1 88 SER HB2 . . 5.050 4.016 3.502 4.512 . 0 0 "[ . 1 . 2]" 1
761 1 78 VAL HB 1 88 SER QB . . 4.210 3.587 3.031 4.018 . 0 0 "[ . 1 . 2]" 1
762 1 78 VAL HB 1 88 SER HB3 . . 5.050 4.048 3.319 4.549 . 0 0 "[ . 1 . 2]" 1
763 1 78 VAL QG 1 79 LYS H . . 3.230 2.680 2.400 3.153 . 0 0 "[ . 1 . 2]" 1
764 1 78 VAL QG 1 90 PHE QD . . 3.770 2.871 2.306 3.686 . 0 0 "[ . 1 . 2]" 1
765 1 78 VAL QG 1 90 PHE QE . . 4.040 2.973 2.250 3.823 . 0 0 "[ . 1 . 2]" 1
766 1 79 LYS H 1 79 LYS QG . . 4.620 3.093 2.777 3.271 . 0 0 "[ . 1 . 2]" 1
767 1 79 LYS HA 1 80 TYR H . . 3.260 2.171 2.065 2.292 . 0 0 "[ . 1 . 2]" 1
768 1 79 LYS HA 1 83 GLN H . . 4.700 4.563 3.618 4.773 0.073 12 0 "[ . 1 . 2]" 1
769 1 79 LYS HA 1 84 HIS HA . . 3.820 2.099 2.023 2.300 . 0 0 "[ . 1 . 2]" 1
770 1 79 LYS HA 1 85 VAL H . . 4.200 2.884 2.539 3.504 . 0 0 "[ . 1 . 2]" 1
771 1 79 LYS QB 1 80 TYR H . . 4.360 2.780 2.309 3.754 . 0 0 "[ . 1 . 2]" 1
772 1 79 LYS QB 1 81 ASN H . . 5.340 4.229 3.302 4.591 . 0 0 "[ . 1 . 2]" 1
773 1 79 LYS QB 1 82 GLU H . . 5.340 3.612 2.840 3.978 . 0 0 "[ . 1 . 2]" 1
774 1 79 LYS QB 1 83 GLN H . . 5.300 3.484 2.864 3.716 . 0 0 "[ . 1 . 2]" 1
775 1 79 LYS QD 1 82 GLU H . . 4.660 4.265 3.611 4.685 0.025 9 0 "[ . 1 . 2]" 1
776 1 79 LYS QD 1 82 GLU HA . . 3.890 3.137 2.425 3.824 . 0 0 "[ . 1 . 2]" 1
777 1 79 LYS QE 1 79 LYS QG . . 3.320 2.246 2.079 2.491 . 0 0 "[ . 1 . 2]" 1
778 1 79 LYS QG 1 84 HIS HA . . 4.140 2.452 2.132 3.272 . 0 0 "[ . 1 . 2]" 1
779 1 80 TYR H 1 80 TYR HB2 . . 4.120 3.131 2.620 3.446 . 0 0 "[ . 1 . 2]" 1
780 1 80 TYR H 1 80 TYR HB3 . . 4.120 2.932 2.507 3.176 . 0 0 "[ . 1 . 2]" 1
781 1 80 TYR H 1 83 GLN H . . 3.790 3.445 3.164 3.868 0.078 9 0 "[ . 1 . 2]" 1
782 1 80 TYR H 1 84 HIS HA . . 4.110 3.535 3.217 3.838 . 0 0 "[ . 1 . 2]" 1
783 1 80 TYR H 1 85 VAL H . . 4.800 4.019 3.131 4.271 . 0 0 "[ . 1 . 2]" 1
784 1 80 TYR H 1 85 VAL MG2 . . 3.550 3.564 3.409 3.634 0.084 13 0 "[ . 1 . 2]" 1
785 1 80 TYR HA 1 80 TYR QD . . 3.540 2.802 2.395 3.038 . 0 0 "[ . 1 . 2]" 1
786 1 80 TYR HA 1 80 TYR QE . . 5.500 4.499 4.211 4.723 . 0 0 "[ . 1 . 2]" 1
787 1 80 TYR HA 1 81 ASN H . . 3.090 2.163 1.998 3.318 0.228 8 0 "[ . 1 . 2]" 1
788 1 80 TYR HA 1 83 GLN H . . 5.200 5.071 4.750 5.309 0.109 8 0 "[ . 1 . 2]" 1
789 1 80 TYR HB2 1 85 VAL MG2 . . 3.990 2.412 2.129 2.793 . 0 0 "[ . 1 . 2]" 1
790 1 80 TYR HB3 1 85 VAL MG2 . . 3.990 2.960 2.371 3.628 . 0 0 "[ . 1 . 2]" 1
791 1 80 TYR QD 1 81 ASN H . . 4.670 3.711 2.909 4.132 . 0 0 "[ . 1 . 2]" 1
792 1 80 TYR QD 1 81 ASN HB2 . . 4.770 3.539 2.650 4.611 . 0 0 "[ . 1 . 2]" 1
793 1 80 TYR QD 1 81 ASN QB . . 3.940 3.153 2.539 3.911 . 0 0 "[ . 1 . 2]" 1
794 1 80 TYR QD 1 81 ASN HB3 . . 4.770 3.611 3.003 4.227 . 0 0 "[ . 1 . 2]" 1
795 1 80 TYR QD 1 85 VAL MG2 . . 4.440 3.759 3.150 4.314 . 0 0 "[ . 1 . 2]" 1
796 1 81 ASN H 1 81 ASN QD . . 5.120 4.675 3.836 5.128 0.008 11 0 "[ . 1 . 2]" 1
797 1 81 ASN H 1 82 GLU HA . . 5.270 5.186 4.545 5.339 0.069 10 0 "[ . 1 . 2]" 1
798 1 81 ASN H 1 83 GLN H . . 5.450 4.461 2.376 5.046 . 0 0 "[ . 1 . 2]" 1
799 1 82 GLU H 1 82 GLU QG . . 4.650 3.311 2.622 4.515 . 0 0 "[ . 1 . 2]" 1
800 1 82 GLU H 1 83 GLN H . . 4.030 2.944 1.861 3.288 . 0 0 "[ . 1 . 2]" 1
801 1 82 GLU HA 1 82 GLU QG . . 3.890 2.775 2.282 3.412 . 0 0 "[ . 1 . 2]" 1
802 1 82 GLU QB 1 83 GLN H . . 4.290 3.475 2.892 4.084 . 0 0 "[ . 1 . 2]" 1
803 1 83 GLN H 1 83 GLN QB . . 3.410 2.688 2.370 3.200 . 0 0 "[ . 1 . 2]" 1
804 1 83 GLN H 1 83 GLN HG2 . . 4.900 3.466 2.300 4.850 . 0 0 "[ . 1 . 2]" 1
805 1 83 GLN H 1 83 GLN QG . . 4.180 2.877 2.281 4.136 . 0 0 "[ . 1 . 2]" 1
806 1 83 GLN H 1 83 GLN HG3 . . 4.900 3.420 2.775 4.580 . 0 0 "[ . 1 . 2]" 1
807 1 83 GLN HA 1 84 HIS H . . 3.250 2.352 2.253 2.501 . 0 0 "[ . 1 . 2]" 1
808 1 83 GLN HB2 1 84 HIS H . . 4.390 3.506 2.376 4.129 . 0 0 "[ . 1 . 2]" 1
809 1 83 GLN HB3 1 84 HIS H . . 4.390 3.310 2.566 4.059 . 0 0 "[ . 1 . 2]" 1
810 1 83 GLN QG 1 84 HIS H . . 4.790 3.736 2.089 4.584 . 0 0 "[ . 1 . 2]" 1
811 1 83 GLN HG2 1 84 HIS H . . 5.500 4.326 2.197 5.168 . 0 0 "[ . 1 . 2]" 1
812 1 83 GLN HG3 1 84 HIS H . . 5.500 4.353 2.548 5.265 . 0 0 "[ . 1 . 2]" 1
813 1 84 HIS H 1 84 HIS HB2 . . 3.660 2.536 2.438 2.688 . 0 0 "[ . 1 . 2]" 1
814 1 84 HIS H 1 84 HIS HD2 . . 4.190 2.998 2.572 4.145 . 0 0 "[ . 1 . 2]" 1
815 1 84 HIS HA 1 85 VAL H . . 3.320 2.179 2.124 2.259 . 0 0 "[ . 1 . 2]" 1
816 1 84 HIS HB3 1 85 VAL H . . 3.770 2.659 2.552 2.884 . 0 0 "[ . 1 . 2]" 1
817 1 84 HIS HB3 1 88 SER QB . . 3.470 2.127 2.023 2.226 . 0 0 "[ . 1 . 2]" 1
818 1 85 VAL H 1 85 VAL MG1 . . 3.940 3.067 2.960 3.223 . 0 0 "[ . 1 . 2]" 1
819 1 85 VAL H 1 85 VAL MG2 . . 3.110 3.223 3.127 3.283 0.173 9 0 "[ . 1 . 2]" 1
820 1 85 VAL H 1 88 SER H . . 4.940 4.398 4.099 4.711 . 0 0 "[ . 1 . 2]" 1
821 1 85 VAL H 1 88 SER QB . . 4.890 2.774 2.404 3.064 . 0 0 "[ . 1 . 2]" 1
822 1 85 VAL HA 1 86 PRO HD2 . . 3.990 3.232 3.181 3.296 . 0 0 "[ . 1 . 2]" 1
823 1 85 VAL HA 1 86 PRO QD . . 3.470 1.969 1.914 2.016 . 0 0 "[ . 1 . 2]" 1
824 1 85 VAL HA 1 86 PRO HD3 . . 3.990 1.986 1.929 2.036 . 0 0 "[ . 1 . 2]" 1
825 1 85 VAL HB 1 86 PRO HD2 . . 3.890 4.059 4.010 4.136 0.246 17 0 "[ . 1 . 2]" 1
826 1 85 VAL HB 1 86 PRO QD . . 3.270 3.538 3.517 3.562 0.292 17 0 "[ . 1 . 2]" 1
827 1 85 VAL HB 1 86 PRO HD3 . . 3.890 3.896 3.846 3.941 0.051 4 0 "[ . 1 . 2]" 1
828 1 85 VAL MG1 1 86 PRO QD . . 4.230 2.053 1.938 2.146 . 0 0 "[ . 1 . 2]" 1
829 1 85 VAL MG1 1 88 SER H . . 4.200 2.698 2.074 3.133 . 0 0 "[ . 1 . 2]" 1
830 1 85 VAL MG1 1 88 SER HB2 . . 4.280 2.856 2.584 3.129 . 0 0 "[ . 1 . 2]" 1
831 1 85 VAL MG1 1 88 SER QB . . 3.530 2.784 2.544 3.009 . 0 0 "[ . 1 . 2]" 1
832 1 85 VAL MG1 1 88 SER HB3 . . 4.280 3.881 3.796 3.935 . 0 0 "[ . 1 . 2]" 1
833 1 85 VAL MG1 1 90 PHE QD . . 5.120 4.352 4.014 4.713 . 0 0 "[ . 1 . 2]" 1
834 1 85 VAL MG1 1 90 PHE QE . . 4.370 2.679 2.119 3.356 . 0 0 "[ . 1 . 2]" 1
835 1 85 VAL MG1 1 90 PHE HZ . . 5.280 3.335 2.482 4.874 . 0 0 "[ . 1 . 2]" 1
836 1 85 VAL MG2 1 86 PRO HD2 . . 4.160 2.250 2.134 2.463 . 0 0 "[ . 1 . 2]" 1
837 1 85 VAL MG2 1 86 PRO HD3 . . 4.160 2.120 2.072 2.170 . 0 0 "[ . 1 . 2]" 1
838 1 86 PRO HA 1 87 GLY H . . 3.040 2.528 2.064 3.310 0.270 17 0 "[ . 1 . 2]" 1
839 1 86 PRO QB 1 87 GLY H . . 4.090 3.475 2.861 3.748 . 0 0 "[ . 1 . 2]" 1
840 1 87 GLY H 1 88 SER H . . 3.730 2.506 1.927 2.830 . 0 0 "[ . 1 . 2]" 1
841 1 88 SER H 1 88 SER HB2 . . 3.780 2.306 2.201 2.418 . 0 0 "[ . 1 . 2]" 1
842 1 88 SER H 1 88 SER QB . . 3.230 2.279 2.179 2.385 . 0 0 "[ . 1 . 2]" 1
843 1 88 SER H 1 88 SER HB3 . . 3.780 3.569 3.496 3.640 . 0 0 "[ . 1 . 2]" 1
844 1 88 SER HA 1 89 PRO HA . . 3.640 2.418 2.234 2.652 . 0 0 "[ . 1 . 2]" 1
845 1 88 SER HA 1 90 PHE H . . 3.770 3.615 3.322 3.810 0.040 12 0 "[ . 1 . 2]" 1
846 1 88 SER HA 1 90 PHE QD . . 4.300 3.320 2.704 3.953 . 0 0 "[ . 1 . 2]" 1
847 1 88 SER QB 1 89 PRO HA . . 4.470 2.304 2.089 2.555 . 0 0 "[ . 1 . 2]" 1
848 1 88 SER QB 1 90 PHE QD . . 4.730 4.294 3.697 4.592 . 0 0 "[ . 1 . 2]" 1
849 1 88 SER QB 1 90 PHE QE . . 4.710 4.068 3.764 4.305 . 0 0 "[ . 1 . 2]" 1
850 1 89 PRO HA 1 90 PHE H . . 3.320 2.359 2.288 2.454 . 0 0 "[ . 1 . 2]" 1
851 1 89 PRO HA 1 90 PHE QD . . 4.980 3.689 3.210 4.245 . 0 0 "[ . 1 . 2]" 1
852 1 89 PRO HG2 1 90 PHE H . . 4.460 4.323 4.153 4.491 0.031 7 0 "[ . 1 . 2]" 1
853 1 90 PHE H 1 90 PHE HB2 . . 4.140 2.615 2.404 2.905 . 0 0 "[ . 1 . 2]" 1
854 1 90 PHE H 1 90 PHE QB . . 3.600 2.567 2.372 2.828 . 0 0 "[ . 1 . 2]" 1
855 1 90 PHE H 1 90 PHE HB3 . . 4.140 3.750 3.629 3.887 . 0 0 "[ . 1 . 2]" 1
856 1 90 PHE H 1 90 PHE QD . . 3.670 2.952 2.416 3.381 . 0 0 "[ . 1 . 2]" 1
857 1 90 PHE HA 1 90 PHE QB . . 2.530 2.359 2.263 2.422 . 0 0 "[ . 1 . 2]" 1
858 1 90 PHE HA 1 90 PHE QD . . 4.120 2.833 2.483 3.144 . 0 0 "[ . 1 . 2]" 1
859 1 90 PHE HA 1 91 THR H . . 3.250 2.450 2.092 3.328 0.078 16 0 "[ . 1 . 2]" 1
860 1 90 PHE QB 1 91 THR H . . 3.800 2.805 2.279 3.696 . 0 0 "[ . 1 . 2]" 1
861 1 90 PHE QB 1 92 ALA MB . . 5.290 4.158 3.667 4.572 . 0 0 "[ . 1 . 2]" 1
862 1 90 PHE HB2 1 91 THR H . . 4.500 3.787 3.348 4.470 . 0 0 "[ . 1 . 2]" 1
863 1 90 PHE HB3 1 91 THR H . . 4.500 2.965 2.313 4.053 . 0 0 "[ . 1 . 2]" 1
864 1 91 THR H 1 91 THR HB . . 3.430 2.873 2.582 3.382 . 0 0 "[ . 1 . 2]" 1
865 1 91 THR H 1 91 THR MG . . 4.430 3.945 3.769 4.060 . 0 0 "[ . 1 . 2]" 1
866 1 91 THR H 1 92 ALA MB . . 5.090 4.875 4.384 5.206 0.116 3 0 "[ . 1 . 2]" 1
867 1 91 THR HA 1 91 THR MG . . 3.730 2.350 2.284 2.461 . 0 0 "[ . 1 . 2]" 1
868 1 91 THR HA 1 92 ALA H . . 3.100 2.169 2.103 2.223 . 0 0 "[ . 1 . 2]" 1
869 1 91 THR HB 1 92 ALA H . . 4.890 4.418 4.183 4.522 . 0 0 "[ . 1 . 2]" 1
870 1 91 THR MG 1 92 ALA H . . 3.620 3.293 2.715 3.633 0.013 17 0 "[ . 1 . 2]" 1
871 1 92 ALA H 1 92 ALA MB . . 3.620 2.247 2.147 2.468 . 0 0 "[ . 1 . 2]" 1
872 1 92 ALA H 1 94 VAL QG . . 5.440 5.007 4.636 5.405 . 0 0 "[ . 1 . 2]" 1
873 1 92 ALA HA 1 93 ARG H . . 3.090 2.250 2.090 2.441 . 0 0 "[ . 1 . 2]" 1
874 1 92 ALA MB 1 93 ARG H . . 3.950 3.091 2.454 3.610 . 0 0 "[ . 1 . 2]" 1
875 1 92 ALA MB 1 94 VAL QG . . 4.080 3.069 2.673 3.433 . 0 0 "[ . 1 . 2]" 1
876 1 93 ARG H 1 93 ARG HB2 . . 3.850 2.837 2.477 3.659 . 0 0 "[ . 1 . 2]" 1
877 1 93 ARG H 1 93 ARG QB . . 3.370 2.476 2.224 2.676 . 0 0 "[ . 1 . 2]" 1
878 1 93 ARG H 1 93 ARG HB3 . . 3.850 2.794 2.518 3.777 . 0 0 "[ . 1 . 2]" 1
879 1 93 ARG H 1 93 ARG QD . . 5.500 4.694 3.318 5.129 . 0 0 "[ . 1 . 2]" 1
880 1 93 ARG H 1 94 VAL H . . 4.620 3.821 2.982 4.113 . 0 0 "[ . 1 . 2]" 1
881 1 93 ARG HA 1 93 ARG QD . . 4.950 3.986 3.667 4.178 . 0 0 "[ . 1 . 2]" 1
882 1 93 ARG HA 1 94 VAL H . . 3.220 2.176 1.998 2.862 . 0 0 "[ . 1 . 2]" 1
883 1 93 ARG QB 1 93 ARG QD . . 3.490 2.232 2.069 2.434 . 0 0 "[ . 1 . 2]" 1
884 1 93 ARG QB 1 94 VAL H . . 4.440 3.960 3.706 4.048 . 0 0 "[ . 1 . 2]" 1
885 1 93 ARG HB2 1 94 VAL H . . 5.200 4.500 4.359 4.624 . 0 0 "[ . 1 . 2]" 1
886 1 93 ARG HB3 1 94 VAL H . . 5.200 4.398 3.967 4.489 . 0 0 "[ . 1 . 2]" 1
887 1 93 ARG QD 1 94 VAL H . . 5.260 5.342 5.143 5.428 0.168 7 0 "[ . 1 . 2]" 1
888 1 93 ARG QG 1 94 VAL H . . 4.710 3.527 3.313 3.909 . 0 0 "[ . 1 . 2]" 1
889 1 93 ARG QG 1 94 VAL QG . . 4.950 4.470 4.295 4.698 . 0 0 "[ . 1 . 2]" 1
890 1 94 VAL H 1 94 VAL HB . . 3.800 2.724 2.476 2.961 . 0 0 "[ . 1 . 2]" 1
891 1 94 VAL H 1 94 VAL QG . . 3.590 1.905 1.819 2.072 . 0 0 "[ . 1 . 2]" 1
892 1 94 VAL HA 1 95 THR H . . 3.070 2.155 2.088 2.210 . 0 0 "[ . 1 . 2]" 1
893 1 94 VAL QG 1 95 THR H . . 3.730 2.961 2.368 3.285 . 0 0 "[ . 1 . 2]" 1
894 1 95 THR H 1 95 THR MG . . 3.820 2.827 2.187 3.853 0.033 18 0 "[ . 1 . 2]" 1
895 1 95 THR HA 1 95 THR MG . . 3.710 2.824 2.277 3.277 . 0 0 "[ . 1 . 2]" 1
896 1 95 THR HA 1 96 GLY H . . 3.300 2.417 2.062 3.425 0.125 2 0 "[ . 1 . 2]" 1
897 1 95 THR HB 1 96 GLY H . . 3.960 3.793 2.643 4.071 0.111 15 0 "[ . 1 . 2]" 1
898 1 95 THR MG 1 96 GLY H . . 4.250 3.046 2.360 3.758 . 0 0 "[ . 1 . 2]" 1
899 1 96 GLY H 1 97 ASP H . . 4.620 4.330 3.167 4.643 0.023 13 0 "[ . 1 . 2]" 1
900 1 97 ASP QB 1 98 ASP H . . 3.810 2.960 2.203 3.769 . 0 0 "[ . 1 . 2]" 1
901 1 97 ASP HB2 1 98 ASP H . . 4.470 3.950 2.651 4.217 . 0 0 "[ . 1 . 2]" 1
902 1 97 ASP HB3 1 98 ASP H . . 4.470 3.169 2.219 4.248 . 0 0 "[ . 1 . 2]" 1
stop_
save_