NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
524175 |
2lc7   |
17600 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lc7
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 820
_Distance_constraint_stats_list.Viol_count 1714
_Distance_constraint_stats_list.Viol_total 2179.430
_Distance_constraint_stats_list.Viol_max 0.530
_Distance_constraint_stats_list.Viol_rms 0.0282
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0066
_Distance_constraint_stats_list.Viol_average_violations_only 0.0636
_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 3 GLU 0.184 0.059 17 0 "[ . 1 . 2]"
1 4 THR 1.656 0.141 4 0 "[ . 1 . 2]"
1 5 HIS 1.505 0.207 12 0 "[ . 1 . 2]"
1 6 ARG 3.431 0.302 15 0 "[ . 1 . 2]"
1 7 ARG 1.721 0.223 20 0 "[ . 1 . 2]"
1 8 VAL 1.082 0.302 15 0 "[ . 1 . 2]"
1 9 ARG 1.080 0.112 1 0 "[ . 1 . 2]"
1 10 LEU 3.126 0.159 10 0 "[ . 1 . 2]"
1 11 LEU 3.110 0.234 19 0 "[ . 1 . 2]"
1 12 LYS 0.092 0.048 18 0 "[ . 1 . 2]"
1 13 HIS 1.349 0.234 19 0 "[ . 1 . 2]"
1 14 GLY 1.007 0.252 18 0 "[ . 1 . 2]"
1 15 SER 1.510 0.252 18 0 "[ . 1 . 2]"
1 16 ASP 0.269 0.066 14 0 "[ . 1 . 2]"
1 17 LYS 2.801 0.194 13 0 "[ . 1 . 2]"
1 18 PRO 1.194 0.101 7 0 "[ . 1 . 2]"
1 19 LEU 0.733 0.182 6 0 "[ . 1 . 2]"
1 20 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 PHE 4.944 0.159 10 0 "[ . 1 . 2]"
1 22 TYR 1.320 0.113 17 0 "[ . 1 . 2]"
1 23 ILE 0.180 0.043 14 0 "[ . 1 . 2]"
1 24 ARG 5.355 0.216 14 0 "[ . 1 . 2]"
1 25 ASP 2.146 0.108 15 0 "[ . 1 . 2]"
1 26 GLY 0.933 0.077 20 0 "[ . 1 . 2]"
1 27 THR 2.497 0.242 13 0 "[ . 1 . 2]"
1 28 SER 1.781 0.142 8 0 "[ . 1 . 2]"
1 29 VAL 2.230 0.164 9 0 "[ . 1 . 2]"
1 30 ARG 0.877 0.060 16 0 "[ . 1 . 2]"
1 31 VAL 0.186 0.051 19 0 "[ . 1 . 2]"
1 32 THR 1.539 0.097 11 0 "[ . 1 . 2]"
1 33 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 SER 0.155 0.058 20 0 "[ . 1 . 2]"
1 35 GLY 1.383 0.097 11 0 "[ . 1 . 2]"
1 36 LEU 0.637 0.060 16 0 "[ . 1 . 2]"
1 37 GLU 1.583 0.213 10 0 "[ . 1 . 2]"
1 38 LYS 4.928 0.213 10 0 "[ . 1 . 2]"
1 39 GLN 4.591 0.242 13 0 "[ . 1 . 2]"
1 40 PRO 0.303 0.100 13 0 "[ . 1 . 2]"
1 41 GLY 1.411 0.132 13 0 "[ . 1 . 2]"
1 42 ILE 1.911 0.108 15 0 "[ . 1 . 2]"
1 43 PHE 2.667 0.110 13 0 "[ . 1 . 2]"
1 44 ILE 0.562 0.063 12 0 "[ . 1 . 2]"
1 45 SER 3.631 0.216 14 0 "[ . 1 . 2]"
1 46 ARG 1.159 0.099 15 0 "[ . 1 . 2]"
1 47 LEU 0.939 0.103 5 0 "[ . 1 . 2]"
1 48 VAL 0.238 0.079 7 0 "[ . 1 . 2]"
1 49 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLY 1.501 0.267 13 0 "[ . 1 . 2]"
1 52 LEU 3.518 0.218 12 0 "[ . 1 . 2]"
1 53 ALA 0.195 0.058 2 0 "[ . 1 . 2]"
1 54 GLU 1.290 0.267 13 0 "[ . 1 . 2]"
1 55 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 THR 1.700 0.130 19 0 "[ . 1 . 2]"
1 57 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LEU 3.815 0.159 15 0 "[ . 1 . 2]"
1 59 LEU 1.806 0.159 15 0 "[ . 1 . 2]"
1 60 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 VAL 3.920 0.105 1 0 "[ . 1 . 2]"
1 62 ASN 1.811 0.165 9 0 "[ . 1 . 2]"
1 63 ASP 0.213 0.106 4 0 "[ . 1 . 2]"
1 64 GLU 2.392 0.177 11 0 "[ . 1 . 2]"
1 65 VAL 0.534 0.077 17 0 "[ . 1 . 2]"
1 66 ILE 0.932 0.092 1 0 "[ . 1 . 2]"
1 67 GLU 0.924 0.115 19 0 "[ . 1 . 2]"
1 68 VAL 4.672 0.189 14 0 "[ . 1 . 2]"
1 69 ASN 0.492 0.083 15 0 "[ . 1 . 2]"
1 70 GLY 1.059 0.129 18 0 "[ . 1 . 2]"
1 71 ILE 0.821 0.065 15 0 "[ . 1 . 2]"
1 72 GLU 5.258 0.115 19 0 "[ . 1 . 2]"
1 73 VAL 1.305 0.058 17 0 "[ . 1 . 2]"
1 74 ALA 0.697 0.092 11 0 "[ . 1 . 2]"
1 75 GLY 0.700 0.058 17 0 "[ . 1 . 2]"
1 76 LYS 3.191 0.216 9 0 "[ . 1 . 2]"
1 77 THR 1.601 0.133 18 0 "[ . 1 . 2]"
1 78 LEU 1.900 0.103 19 0 "[ . 1 . 2]"
1 79 ASP 0.036 0.020 16 0 "[ . 1 . 2]"
1 80 GLN 1.814 0.133 18 0 "[ . 1 . 2]"
1 81 VAL 1.162 0.080 9 0 "[ . 1 . 2]"
1 82 THR 2.521 0.214 3 0 "[ . 1 . 2]"
1 83 ASP 1.044 0.103 2 0 "[ . 1 . 2]"
1 84 MET 20.473 0.530 18 1 "[ . 1 . + 2]"
1 85 MET 1.809 0.101 4 0 "[ . 1 . 2]"
1 86 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ALA 2.389 0.114 18 0 "[ . 1 . 2]"
1 88 ASN 12.490 0.530 18 1 "[ . 1 . + 2]"
1 89 SER 1.967 0.114 18 0 "[ . 1 . 2]"
1 90 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 ASN 0.491 0.093 20 0 "[ . 1 . 2]"
1 92 LEU 6.886 0.146 5 0 "[ . 1 . 2]"
1 93 ILE 2.415 0.129 18 0 "[ . 1 . 2]"
1 94 ILE 1.718 0.078 12 0 "[ . 1 . 2]"
1 95 THR 0.418 0.062 19 0 "[ . 1 . 2]"
1 96 VAL 3.255 0.177 11 0 "[ . 1 . 2]"
1 97 LYS 3.203 0.267 2 0 "[ . 1 . 2]"
1 98 PRO 2.220 0.267 2 0 "[ . 1 . 2]"
1 99 ALA 3.071 0.165 6 0 "[ . 1 . 2]"
1 100 ASN 1.593 0.125 12 0 "[ . 1 . 2]"
1 101 GLN 1.530 0.169 6 0 "[ . 1 . 2]"
1 102 ARG 0.934 0.169 6 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 3 GLU HA 1 4 THR H . . 3.480 2.530 2.144 3.539 0.059 17 0 "[ . 1 . 2]" 1
2 1 3 GLU QB 1 3 GLU QG . . 2.270 2.019 1.986 2.082 . 0 0 "[ . 1 . 2]" 1
3 1 4 THR HA 1 4 THR HB . . 2.400 2.458 2.409 2.514 0.114 16 0 "[ . 1 . 2]" 1
4 1 4 THR HA 1 102 ARG H . . 3.940 3.665 2.940 4.081 0.141 4 0 "[ . 1 . 2]" 1
5 1 5 HIS H 1 5 HIS QB . . 3.610 2.576 2.224 3.295 . 0 0 "[ . 1 . 2]" 1
6 1 5 HIS HA 1 96 VAL H . . 4.790 4.524 4.216 4.798 0.008 4 0 "[ . 1 . 2]" 1
7 1 5 HIS QB 1 5 HIS HD2 . . 2.970 2.677 2.577 3.073 0.103 16 0 "[ . 1 . 2]" 1
8 1 5 HIS HD2 1 97 LYS QG . . 4.910 4.879 3.535 5.117 0.207 12 0 "[ . 1 . 2]" 1
9 1 6 ARG H 1 6 ARG QB . . 3.570 2.623 2.284 3.044 . 0 0 "[ . 1 . 2]" 1
10 1 6 ARG H 1 6 ARG QG . . 4.600 3.590 1.742 4.208 . 0 0 "[ . 1 . 2]" 1
11 1 6 ARG H 1 96 VAL H . . 3.820 3.020 2.809 3.186 . 0 0 "[ . 1 . 2]" 1
12 1 6 ARG H 1 98 PRO QD . . 4.470 4.326 3.874 4.554 0.084 7 0 "[ . 1 . 2]" 1
13 1 6 ARG HA 1 7 ARG H . . 3.520 2.177 2.014 2.316 . 0 0 "[ . 1 . 2]" 1
14 1 6 ARG QB 1 6 ARG HD2 . . 3.910 2.783 2.374 3.447 . 0 0 "[ . 1 . 2]" 1
15 1 6 ARG QB 1 6 ARG HD3 . . 3.910 2.793 2.191 3.491 . 0 0 "[ . 1 . 2]" 1
16 1 6 ARG QB 1 7 ARG H . . 3.450 3.422 2.891 3.673 0.223 20 0 "[ . 1 . 2]" 1
17 1 6 ARG QD 1 58 LEU QB . . 4.540 3.005 1.968 4.573 0.033 11 0 "[ . 1 . 2]" 1
18 1 6 ARG QD 1 58 LEU HG . . 5.340 4.852 4.184 5.474 0.134 11 0 "[ . 1 . 2]" 1
19 1 6 ARG QG 1 8 VAL H . . 4.090 4.086 3.772 4.392 0.302 15 0 "[ . 1 . 2]" 1
20 1 7 ARG HA 1 8 VAL HA . . 4.810 4.303 4.205 4.369 . 0 0 "[ . 1 . 2]" 1
21 1 7 ARG HA 1 95 THR HA . . 4.000 2.237 1.941 2.847 . 0 0 "[ . 1 . 2]" 1
22 1 7 ARG HA 1 96 VAL H . . 4.320 3.702 3.260 4.338 0.018 17 0 "[ . 1 . 2]" 1
23 1 8 VAL H 1 8 VAL HB . . 3.780 3.751 3.690 3.818 0.038 15 0 "[ . 1 . 2]" 1
24 1 8 VAL H 1 94 ILE H . . 3.800 3.126 2.873 3.822 0.022 15 0 "[ . 1 . 2]" 1
25 1 8 VAL H 1 95 THR HA . . 4.540 3.570 3.148 3.916 . 0 0 "[ . 1 . 2]" 1
26 1 8 VAL HA 1 9 ARG H . . 2.960 2.150 2.091 2.184 . 0 0 "[ . 1 . 2]" 1
27 1 8 VAL HB 1 9 ARG H . . 4.160 2.959 2.817 3.059 . 0 0 "[ . 1 . 2]" 1
28 1 9 ARG H 1 9 ARG HB2 . . 3.750 2.735 2.482 3.093 . 0 0 "[ . 1 . 2]" 1
29 1 9 ARG H 1 9 ARG HB3 . . 3.670 3.196 2.490 3.761 0.091 5 0 "[ . 1 . 2]" 1
30 1 9 ARG H 1 9 ARG QG . . 4.070 3.466 2.214 4.149 0.079 19 0 "[ . 1 . 2]" 1
31 1 9 ARG H 1 10 LEU H . . 4.450 4.249 4.124 4.354 . 0 0 "[ . 1 . 2]" 1
32 1 9 ARG HA 1 10 LEU H . . 3.460 2.094 1.985 2.195 . 0 0 "[ . 1 . 2]" 1
33 1 9 ARG HB2 1 9 ARG QD . . 3.800 2.696 2.354 3.274 . 0 0 "[ . 1 . 2]" 1
34 1 9 ARG HB2 1 10 LEU H . . 5.050 4.264 4.153 4.363 . 0 0 "[ . 1 . 2]" 1
35 1 9 ARG HB3 1 10 LEU H . . 4.980 3.856 3.410 4.268 . 0 0 "[ . 1 . 2]" 1
36 1 9 ARG QG 1 93 ILE HB . . 4.470 4.440 4.120 4.582 0.112 1 0 "[ . 1 . 2]" 1
37 1 10 LEU H 1 10 LEU HB2 . . 4.080 2.646 2.585 2.742 . 0 0 "[ . 1 . 2]" 1
38 1 10 LEU H 1 10 LEU QB . . 3.370 2.586 2.529 2.675 . 0 0 "[ . 1 . 2]" 1
39 1 10 LEU H 1 10 LEU HB3 . . 4.080 3.639 3.583 3.721 . 0 0 "[ . 1 . 2]" 1
40 1 10 LEU H 1 10 LEU HG . . 3.970 2.365 2.173 2.512 . 0 0 "[ . 1 . 2]" 1
41 1 10 LEU H 1 11 LEU H . . 4.710 4.413 4.220 4.519 . 0 0 "[ . 1 . 2]" 1
42 1 10 LEU H 1 92 LEU H . . 4.240 3.353 3.010 3.663 . 0 0 "[ . 1 . 2]" 1
43 1 10 LEU H 1 92 LEU HB2 . . 4.970 4.038 3.019 4.562 . 0 0 "[ . 1 . 2]" 1
44 1 10 LEU H 1 93 ILE HA . . 3.460 3.138 2.837 3.431 . 0 0 "[ . 1 . 2]" 1
45 1 10 LEU HA 1 11 LEU H . . 3.330 2.181 2.072 2.338 . 0 0 "[ . 1 . 2]" 1
46 1 10 LEU QB 1 10 LEU HG . . 2.500 2.286 2.238 2.320 . 0 0 "[ . 1 . 2]" 1
47 1 10 LEU QB 1 11 LEU H . . 4.350 3.068 2.906 3.328 . 0 0 "[ . 1 . 2]" 1
48 1 10 LEU QB 1 21 PHE QE . . 3.360 3.431 3.310 3.519 0.159 10 0 "[ . 1 . 2]" 1
49 1 10 LEU QB 1 92 LEU H . . 4.200 3.417 2.968 3.830 . 0 0 "[ . 1 . 2]" 1
50 1 10 LEU QB 1 92 LEU HB2 . . 3.960 2.841 1.865 3.147 . 0 0 "[ . 1 . 2]" 1
51 1 10 LEU HB2 1 92 LEU HB2 . . 4.660 2.879 1.871 3.199 . 0 0 "[ . 1 . 2]" 1
52 1 10 LEU HB3 1 92 LEU HB2 . . 4.660 4.417 3.547 4.674 0.014 10 0 "[ . 1 . 2]" 1
53 1 10 LEU HG 1 92 LEU HB3 . . 3.050 3.078 2.724 3.185 0.135 1 0 "[ . 1 . 2]" 1
54 1 10 LEU HG 1 94 ILE H . . 4.020 3.626 3.406 3.888 . 0 0 "[ . 1 . 2]" 1
55 1 11 LEU H 1 11 LEU HB2 . . 3.400 3.236 3.088 3.410 0.010 11 0 "[ . 1 . 2]" 1
56 1 11 LEU H 1 11 LEU HB3 . . 4.100 3.748 3.626 4.120 0.020 11 0 "[ . 1 . 2]" 1
57 1 11 LEU H 1 12 LYS H . . 4.170 2.932 2.295 3.297 . 0 0 "[ . 1 . 2]" 1
58 1 11 LEU H 1 13 HIS H . . 4.630 4.650 4.312 4.864 0.234 19 0 "[ . 1 . 2]" 1
59 1 11 LEU HA 1 52 LEU HG . . 3.840 2.682 1.977 4.058 0.218 12 0 "[ . 1 . 2]" 1
60 1 11 LEU HB2 1 12 LYS H . . 4.620 4.540 4.387 4.622 0.002 3 0 "[ . 1 . 2]" 1
61 1 11 LEU HB2 1 92 LEU H . . 4.020 4.041 3.432 4.166 0.146 5 0 "[ . 1 . 2]" 1
62 1 11 LEU HB3 1 12 LYS H . . 4.830 4.277 3.808 4.413 . 0 0 "[ . 1 . 2]" 1
63 1 11 LEU HB3 1 92 LEU H . . 5.200 3.099 2.647 4.791 . 0 0 "[ . 1 . 2]" 1
64 1 12 LYS H 1 12 LYS QB . . 3.330 2.806 2.352 3.086 . 0 0 "[ . 1 . 2]" 1
65 1 12 LYS H 1 12 LYS QE . . 4.840 4.266 3.301 4.888 0.048 18 0 "[ . 1 . 2]" 1
66 1 12 LYS H 1 12 LYS QG . . 3.510 2.199 1.820 2.780 . 0 0 "[ . 1 . 2]" 1
67 1 12 LYS H 1 13 HIS H . . 4.630 2.132 1.691 3.278 . 0 0 "[ . 1 . 2]" 1
68 1 12 LYS QB 1 12 LYS QE . . 4.010 2.867 1.899 3.634 . 0 0 "[ . 1 . 2]" 1
69 1 12 LYS QB 1 13 HIS H . . 4.180 3.673 2.698 3.920 . 0 0 "[ . 1 . 2]" 1
70 1 12 LYS QE 1 12 LYS HG2 . . 3.750 2.606 2.326 3.499 . 0 0 "[ . 1 . 2]" 1
71 1 12 LYS QE 1 12 LYS QG . . 3.210 2.244 2.106 2.451 . 0 0 "[ . 1 . 2]" 1
72 1 12 LYS QE 1 12 LYS HG3 . . 3.750 2.643 2.361 3.324 . 0 0 "[ . 1 . 2]" 1
73 1 13 HIS HA 1 13 HIS HD2 . . 3.190 2.890 2.389 3.205 0.015 4 0 "[ . 1 . 2]" 1
74 1 13 HIS QB 1 13 HIS HD2 . . 3.100 2.933 2.789 3.174 0.074 13 0 "[ . 1 . 2]" 1
75 1 14 GLY H 1 15 SER QB . . 4.160 4.157 3.742 4.412 0.252 18 0 "[ . 1 . 2]" 1
76 1 15 SER H 1 15 SER QB . . 3.660 2.792 2.267 3.351 . 0 0 "[ . 1 . 2]" 1
77 1 15 SER H 1 16 ASP H . . 4.350 3.634 2.392 4.363 0.013 2 0 "[ . 1 . 2]" 1
78 1 15 SER HA 1 16 ASP H . . 3.290 2.538 2.066 3.356 0.066 14 0 "[ . 1 . 2]" 1
79 1 15 SER HA 1 17 LYS H . . 4.430 3.969 3.177 4.544 0.114 7 0 "[ . 1 . 2]" 1
80 1 15 SER QB 1 16 ASP H . . 3.980 3.333 2.586 3.974 . 0 0 "[ . 1 . 2]" 1
81 1 15 SER HB2 1 16 ASP H . . 4.630 3.962 3.087 4.536 . 0 0 "[ . 1 . 2]" 1
82 1 15 SER HB3 1 16 ASP H . . 4.630 3.717 2.640 4.444 . 0 0 "[ . 1 . 2]" 1
83 1 16 ASP H 1 16 ASP QB . . 3.720 2.750 2.302 3.372 . 0 0 "[ . 1 . 2]" 1
84 1 16 ASP H 1 17 LYS H . . 3.550 2.608 1.733 3.612 0.062 7 0 "[ . 1 . 2]" 1
85 1 16 ASP HA 1 17 LYS H . . 3.500 3.098 2.129 3.528 0.028 8 0 "[ . 1 . 2]" 1
86 1 16 ASP QB 1 17 LYS H . . 4.240 3.283 2.337 3.924 . 0 0 "[ . 1 . 2]" 1
87 1 17 LYS H 1 17 LYS HB2 . . 3.650 3.293 2.404 3.730 0.080 8 0 "[ . 1 . 2]" 1
88 1 17 LYS H 1 17 LYS QB . . 3.030 2.604 2.072 3.030 . 0 0 "[ . 1 . 2]" 1
89 1 17 LYS H 1 17 LYS HB3 . . 3.650 2.974 2.128 3.662 0.012 7 0 "[ . 1 . 2]" 1
90 1 17 LYS H 1 17 LYS QG . . 3.470 2.312 1.889 3.664 0.194 13 0 "[ . 1 . 2]" 1
91 1 17 LYS H 1 18 PRO QD . . 4.270 4.316 4.004 4.371 0.101 7 0 "[ . 1 . 2]" 1
92 1 17 LYS HA 1 17 LYS QD . . 4.510 4.078 2.079 4.549 0.039 17 0 "[ . 1 . 2]" 1
93 1 17 LYS HA 1 18 PRO HD2 . . 3.420 2.469 2.110 2.893 . 0 0 "[ . 1 . 2]" 1
94 1 17 LYS HA 1 18 PRO HD3 . . 3.420 2.243 1.911 2.636 . 0 0 "[ . 1 . 2]" 1
95 1 17 LYS QB 1 17 LYS QD . . 2.330 2.232 2.073 2.337 0.007 20 0 "[ . 1 . 2]" 1
96 1 17 LYS QB 1 18 PRO QD . . 3.610 2.323 1.924 3.381 . 0 0 "[ . 1 . 2]" 1
97 1 17 LYS HB2 1 17 LYS QD . . 3.120 2.579 2.149 3.262 0.142 8 0 "[ . 1 . 2]" 1
98 1 17 LYS HB3 1 17 LYS QD . . 3.120 2.648 2.190 3.249 0.129 12 0 "[ . 1 . 2]" 1
99 1 17 LYS QG 1 18 PRO QD . . 4.740 3.633 2.060 4.282 . 0 0 "[ . 1 . 2]" 1
100 1 18 PRO HA 1 19 LEU H . . 3.330 2.218 2.129 2.298 . 0 0 "[ . 1 . 2]" 1
101 1 18 PRO QB 1 19 LEU H . . 3.720 3.002 2.827 3.244 . 0 0 "[ . 1 . 2]" 1
102 1 18 PRO QB 1 20 GLY H . . 4.190 2.961 2.557 3.435 . 0 0 "[ . 1 . 2]" 1
103 1 18 PRO QB 1 20 GLY QA . . 4.530 3.505 3.313 3.875 . 0 0 "[ . 1 . 2]" 1
104 1 18 PRO HB2 1 19 LEU H . . 4.400 3.406 3.035 3.862 . 0 0 "[ . 1 . 2]" 1
105 1 18 PRO HB2 1 20 GLY H . . 5.030 3.133 2.584 3.836 . 0 0 "[ . 1 . 2]" 1
106 1 18 PRO HB3 1 19 LEU H . . 4.400 3.411 2.992 3.898 . 0 0 "[ . 1 . 2]" 1
107 1 18 PRO HB3 1 20 GLY H . . 5.030 3.858 3.271 4.615 . 0 0 "[ . 1 . 2]" 1
108 1 19 LEU H 1 19 LEU QB . . 3.210 2.406 2.345 2.498 . 0 0 "[ . 1 . 2]" 1
109 1 19 LEU H 1 19 LEU HG . . 4.200 3.885 2.306 4.103 . 0 0 "[ . 1 . 2]" 1
110 1 19 LEU H 1 20 GLY H . . 3.930 2.491 2.201 2.842 . 0 0 "[ . 1 . 2]" 1
111 1 19 LEU HA 1 19 LEU HG . . 3.870 3.692 2.894 3.793 . 0 0 "[ . 1 . 2]" 1
112 1 19 LEU HA 1 51 GLY HA2 . . 5.070 4.808 4.457 5.252 0.182 6 0 "[ . 1 . 2]" 1
113 1 19 LEU HA 1 52 LEU H . . 3.750 3.353 2.895 3.675 . 0 0 "[ . 1 . 2]" 1
114 1 19 LEU QB 1 19 LEU HG . . 2.420 2.153 2.120 2.424 0.004 1 0 "[ . 1 . 2]" 1
115 1 19 LEU QB 1 20 GLY H . . 3.700 2.789 2.543 2.993 . 0 0 "[ . 1 . 2]" 1
116 1 19 LEU QB 1 21 PHE H . . 4.480 3.217 2.729 3.577 . 0 0 "[ . 1 . 2]" 1
117 1 19 LEU QB 1 21 PHE QD . . 3.190 2.384 1.943 2.729 . 0 0 "[ . 1 . 2]" 1
118 1 19 LEU QB 1 21 PHE QE . . 3.030 2.138 1.927 2.416 . 0 0 "[ . 1 . 2]" 1
119 1 19 LEU QB 1 52 LEU H . . 4.200 4.136 3.796 4.272 0.072 1 0 "[ . 1 . 2]" 1
120 1 19 LEU HB2 1 20 GLY H . . 4.280 2.881 2.611 3.104 . 0 0 "[ . 1 . 2]" 1
121 1 19 LEU HB3 1 20 GLY H . . 4.280 3.726 3.476 3.928 . 0 0 "[ . 1 . 2]" 1
122 1 20 GLY H 1 21 PHE H . . 3.620 2.333 2.161 2.550 . 0 0 "[ . 1 . 2]" 1
123 1 20 GLY QA 1 48 VAL HB . . 3.910 2.063 1.847 2.355 . 0 0 "[ . 1 . 2]" 1
124 1 20 GLY HA2 1 48 VAL H . . 4.600 3.736 2.835 4.102 . 0 0 "[ . 1 . 2]" 1
125 1 20 GLY HA2 1 48 VAL HB . . 4.550 2.162 1.852 2.502 . 0 0 "[ . 1 . 2]" 1
126 1 20 GLY HA3 1 48 VAL H . . 4.600 3.758 3.526 3.952 . 0 0 "[ . 1 . 2]" 1
127 1 20 GLY HA3 1 48 VAL HB . . 4.550 2.741 2.428 3.586 . 0 0 "[ . 1 . 2]" 1
128 1 21 PHE H 1 21 PHE QD . . 4.380 3.043 2.410 3.473 . 0 0 "[ . 1 . 2]" 1
129 1 21 PHE H 1 22 TYR QD . . 4.600 4.622 4.431 4.713 0.113 17 0 "[ . 1 . 2]" 1
130 1 21 PHE H 1 53 ALA MB . . 4.440 4.225 3.791 4.498 0.058 2 0 "[ . 1 . 2]" 1
131 1 21 PHE HA 1 22 TYR H . . 3.270 2.264 2.207 2.334 . 0 0 "[ . 1 . 2]" 1
132 1 21 PHE HA 1 47 LEU HA . . 4.910 2.376 2.011 2.708 . 0 0 "[ . 1 . 2]" 1
133 1 21 PHE HA 1 47 LEU HG . . 5.210 4.889 3.729 5.274 0.064 15 0 "[ . 1 . 2]" 1
134 1 21 PHE HA 1 48 VAL H . . 4.270 2.840 2.529 3.031 . 0 0 "[ . 1 . 2]" 1
135 1 21 PHE HB2 1 22 TYR H . . 3.820 2.672 2.525 2.828 . 0 0 "[ . 1 . 2]" 1
136 1 21 PHE HB2 1 47 LEU HA . . 5.060 3.445 3.145 3.683 . 0 0 "[ . 1 . 2]" 1
137 1 21 PHE HB2 1 48 VAL H . . 4.810 4.698 4.389 4.889 0.079 7 0 "[ . 1 . 2]" 1
138 1 21 PHE HB2 1 53 ALA MB . . 4.370 3.271 2.944 3.705 . 0 0 "[ . 1 . 2]" 1
139 1 21 PHE HB3 1 22 TYR H . . 4.140 3.922 3.840 4.040 . 0 0 "[ . 1 . 2]" 1
140 1 21 PHE HB3 1 47 LEU HA . . 5.320 3.428 3.124 3.747 . 0 0 "[ . 1 . 2]" 1
141 1 21 PHE HB3 1 53 ALA MB . . 4.110 2.078 1.850 2.338 . 0 0 "[ . 1 . 2]" 1
142 1 21 PHE QD 1 22 TYR H . . 4.740 3.492 3.173 3.867 . 0 0 "[ . 1 . 2]" 1
143 1 21 PHE QD 1 53 ALA MB . . 4.260 2.318 1.881 2.810 . 0 0 "[ . 1 . 2]" 1
144 1 21 PHE QE 1 85 MET ME . . 4.350 3.374 2.289 3.824 . 0 0 "[ . 1 . 2]" 1
145 1 21 PHE QE 1 92 LEU HG . . 4.890 4.894 4.480 4.995 0.105 14 0 "[ . 1 . 2]" 1
146 1 21 PHE HZ 1 85 MET ME . . 4.780 4.050 2.991 4.362 . 0 0 "[ . 1 . 2]" 1
147 1 21 PHE HZ 1 92 LEU HG . . 4.440 4.472 4.322 4.576 0.136 11 0 "[ . 1 . 2]" 1
148 1 22 TYR H 1 22 TYR QB . . 3.550 2.579 2.434 2.682 . 0 0 "[ . 1 . 2]" 1
149 1 22 TYR H 1 22 TYR QD . . 2.970 2.934 2.759 3.049 0.079 3 0 "[ . 1 . 2]" 1
150 1 22 TYR H 1 23 ILE H . . 4.460 4.360 4.307 4.412 . 0 0 "[ . 1 . 2]" 1
151 1 22 TYR H 1 45 SER H . . 4.810 3.830 3.596 4.045 . 0 0 "[ . 1 . 2]" 1
152 1 22 TYR H 1 46 ARG H . . 3.830 2.777 2.622 2.894 . 0 0 "[ . 1 . 2]" 1
153 1 22 TYR H 1 46 ARG QB . . 4.710 3.450 3.189 3.834 . 0 0 "[ . 1 . 2]" 1
154 1 22 TYR HA 1 23 ILE H . . 3.490 2.247 2.121 2.362 . 0 0 "[ . 1 . 2]" 1
155 1 22 TYR QB 1 23 ILE H . . 3.480 2.607 2.421 2.870 . 0 0 "[ . 1 . 2]" 1
156 1 22 TYR QB 1 46 ARG H . . 3.800 2.872 2.572 3.099 . 0 0 "[ . 1 . 2]" 1
157 1 22 TYR QB 1 46 ARG QB . . 4.100 2.178 1.914 2.591 . 0 0 "[ . 1 . 2]" 1
158 1 22 TYR QB 1 46 ARG QG . . 5.070 3.976 3.672 4.265 . 0 0 "[ . 1 . 2]" 1
159 1 22 TYR HB2 1 23 ILE H . . 4.280 3.805 3.650 4.026 . 0 0 "[ . 1 . 2]" 1
160 1 22 TYR HB2 1 46 ARG H . . 4.500 2.920 2.602 3.157 . 0 0 "[ . 1 . 2]" 1
161 1 22 TYR HB3 1 23 ILE H . . 4.280 2.655 2.457 2.942 . 0 0 "[ . 1 . 2]" 1
162 1 22 TYR HB3 1 46 ARG H . . 4.500 4.263 3.893 4.524 0.024 19 0 "[ . 1 . 2]" 1
163 1 22 TYR QD 1 23 ILE H . . 4.790 3.782 3.549 4.044 . 0 0 "[ . 1 . 2]" 1
164 1 22 TYR QD 1 46 ARG HA . . 5.040 4.862 4.621 5.079 0.039 7 0 "[ . 1 . 2]" 1
165 1 22 TYR QD 1 46 ARG QB . . 2.760 2.378 2.077 2.765 0.005 16 0 "[ . 1 . 2]" 1
166 1 22 TYR QD 1 46 ARG QD . . 5.010 3.716 2.365 4.871 . 0 0 "[ . 1 . 2]" 1
167 1 22 TYR QD 1 46 ARG QG . . 3.060 2.938 2.723 3.107 0.047 16 0 "[ . 1 . 2]" 1
168 1 23 ILE H 1 23 ILE HG12 . . 4.170 2.760 2.029 3.396 . 0 0 "[ . 1 . 2]" 1
169 1 23 ILE HA 1 24 ARG H . . 3.180 2.365 2.271 2.423 . 0 0 "[ . 1 . 2]" 1
170 1 23 ILE HA 1 43 PHE H . . 4.970 4.661 4.390 4.837 . 0 0 "[ . 1 . 2]" 1
171 1 23 ILE HA 1 44 ILE H . . 4.960 4.866 4.686 4.995 0.035 1 0 "[ . 1 . 2]" 1
172 1 23 ILE HA 1 44 ILE HA . . 4.030 2.413 2.138 2.601 . 0 0 "[ . 1 . 2]" 1
173 1 23 ILE HA 1 45 SER H . . 3.550 2.287 1.990 2.680 . 0 0 "[ . 1 . 2]" 1
174 1 23 ILE HB 1 24 ARG H . . 4.100 2.123 1.986 2.333 . 0 0 "[ . 1 . 2]" 1
175 1 23 ILE HG12 1 85 MET ME . . 4.280 4.104 3.503 4.323 0.043 14 0 "[ . 1 . 2]" 1
176 1 24 ARG H 1 24 ARG QD . . 4.870 4.391 4.249 4.462 . 0 0 "[ . 1 . 2]" 1
177 1 24 ARG H 1 24 ARG HG2 . . 3.890 2.729 2.583 3.025 . 0 0 "[ . 1 . 2]" 1
178 1 24 ARG H 1 24 ARG HG3 . . 3.690 2.723 2.492 2.823 . 0 0 "[ . 1 . 2]" 1
179 1 24 ARG H 1 25 ASP H . . 4.390 4.316 4.256 4.388 . 0 0 "[ . 1 . 2]" 1
180 1 24 ARG H 1 42 ILE HA . . 4.600 4.106 3.911 4.240 . 0 0 "[ . 1 . 2]" 1
181 1 24 ARG H 1 43 PHE H . . 3.660 2.770 2.632 2.890 . 0 0 "[ . 1 . 2]" 1
182 1 24 ARG H 1 43 PHE HB2 . . 4.930 4.128 3.911 4.282 . 0 0 "[ . 1 . 2]" 1
183 1 24 ARG H 1 43 PHE QD . . 4.970 4.824 4.616 5.019 0.049 4 0 "[ . 1 . 2]" 1
184 1 24 ARG H 1 44 ILE HA . . 4.400 3.784 3.485 3.958 . 0 0 "[ . 1 . 2]" 1
185 1 24 ARG H 1 45 SER H . . 4.160 3.974 3.563 4.194 0.034 17 0 "[ . 1 . 2]" 1
186 1 24 ARG H 1 45 SER HB2 . . 4.900 4.244 3.846 4.904 0.004 12 0 "[ . 1 . 2]" 1
187 1 24 ARG H 1 45 SER QB . . 4.240 3.433 2.834 3.901 . 0 0 "[ . 1 . 2]" 1
188 1 24 ARG H 1 45 SER HB3 . . 4.900 3.757 2.863 4.369 . 0 0 "[ . 1 . 2]" 1
189 1 24 ARG HA 1 25 ASP H . . 3.140 2.286 2.244 2.366 . 0 0 "[ . 1 . 2]" 1
190 1 24 ARG HB2 1 25 ASP H . . 3.380 2.555 2.466 2.634 . 0 0 "[ . 1 . 2]" 1
191 1 24 ARG HB2 1 43 PHE H . . 4.660 4.643 4.559 4.692 0.032 10 0 "[ . 1 . 2]" 1
192 1 24 ARG HB3 1 24 ARG HG2 . . 2.870 2.353 2.297 2.404 . 0 0 "[ . 1 . 2]" 1
193 1 24 ARG HB3 1 25 ASP H . . 3.800 3.718 3.634 3.817 0.017 6 0 "[ . 1 . 2]" 1
194 1 24 ARG HB3 1 45 SER H . . 4.910 4.639 4.457 4.823 . 0 0 "[ . 1 . 2]" 1
195 1 24 ARG HB3 1 45 SER HB2 . . 4.890 2.185 1.875 2.588 . 0 0 "[ . 1 . 2]" 1
196 1 24 ARG HB3 1 45 SER QB . . 4.160 2.003 1.838 2.300 . 0 0 "[ . 1 . 2]" 1
197 1 24 ARG HB3 1 45 SER HB3 . . 4.890 2.623 2.006 3.145 . 0 0 "[ . 1 . 2]" 1
198 1 24 ARG QD 1 25 ASP H . . 4.350 4.405 4.356 4.440 0.090 7 0 "[ . 1 . 2]" 1
199 1 24 ARG QD 1 45 SER QB . . 4.180 2.652 1.932 3.631 . 0 0 "[ . 1 . 2]" 1
200 1 24 ARG HG2 1 43 PHE H . . 4.210 3.873 3.622 4.094 . 0 0 "[ . 1 . 2]" 1
201 1 24 ARG HG2 1 43 PHE HB2 . . 5.110 3.170 2.954 3.447 . 0 0 "[ . 1 . 2]" 1
202 1 24 ARG HG2 1 45 SER HB2 . . 4.930 2.190 1.778 3.052 . 0 0 "[ . 1 . 2]" 1
203 1 24 ARG HG2 1 45 SER QB . . 4.130 1.847 1.765 1.894 . 0 0 "[ . 1 . 2]" 1
204 1 24 ARG HG2 1 45 SER HB3 . . 4.930 2.597 1.823 2.967 . 0 0 "[ . 1 . 2]" 1
205 1 24 ARG HG3 1 43 PHE H . . 4.490 2.653 2.348 2.796 . 0 0 "[ . 1 . 2]" 1
206 1 24 ARG HG3 1 43 PHE HB2 . . 4.920 2.158 1.965 2.434 . 0 0 "[ . 1 . 2]" 1
207 1 24 ARG HG3 1 43 PHE HB3 . . 4.920 3.786 3.554 4.141 . 0 0 "[ . 1 . 2]" 1
208 1 24 ARG HG3 1 44 ILE HA . . 4.780 4.754 4.501 4.843 0.063 12 0 "[ . 1 . 2]" 1
209 1 24 ARG HG3 1 45 SER H . . 4.770 4.739 4.589 4.812 0.042 2 0 "[ . 1 . 2]" 1
210 1 24 ARG HG3 1 45 SER HA . . 5.080 4.279 3.924 4.733 . 0 0 "[ . 1 . 2]" 1
211 1 24 ARG HG3 1 45 SER HB2 . . 4.320 3.712 3.312 4.503 0.183 9 0 "[ . 1 . 2]" 1
212 1 24 ARG HG3 1 45 SER HB3 . . 4.320 4.168 3.310 4.536 0.216 14 0 "[ . 1 . 2]" 1
213 1 25 ASP H 1 25 ASP QB . . 3.470 2.574 2.255 2.946 . 0 0 "[ . 1 . 2]" 1
214 1 25 ASP HA 1 26 GLY H . . 3.080 2.162 2.089 2.263 . 0 0 "[ . 1 . 2]" 1
215 1 25 ASP HA 1 42 ILE H . . 4.700 4.719 4.603 4.808 0.108 15 0 "[ . 1 . 2]" 1
216 1 25 ASP HA 1 42 ILE HA . . 4.470 2.328 1.984 2.485 . 0 0 "[ . 1 . 2]" 1
217 1 25 ASP HA 1 43 PHE H . . 3.970 3.493 2.997 3.800 . 0 0 "[ . 1 . 2]" 1
218 1 25 ASP QB 1 26 GLY H . . 3.540 3.213 2.477 3.617 0.077 20 0 "[ . 1 . 2]" 1
219 1 26 GLY H 1 27 THR HA . . 4.410 4.373 4.227 4.448 0.038 18 0 "[ . 1 . 2]" 1
220 1 26 GLY H 1 43 PHE QE . . 3.010 3.014 2.713 3.071 0.061 20 0 "[ . 1 . 2]" 1
221 1 26 GLY QA 1 43 PHE QE . . 3.020 2.766 2.360 3.039 0.019 18 0 "[ . 1 . 2]" 1
222 1 27 THR H 1 28 SER H . . 4.450 4.336 4.265 4.393 . 0 0 "[ . 1 . 2]" 1
223 1 27 THR H 1 43 PHE QE . . 4.520 4.116 3.265 4.573 0.053 13 0 "[ . 1 . 2]" 1
224 1 27 THR HA 1 28 SER H . . 3.000 2.080 2.003 2.145 . 0 0 "[ . 1 . 2]" 1
225 1 27 THR HA 1 28 SER QB . . 4.900 3.942 3.828 4.158 . 0 0 "[ . 1 . 2]" 1
226 1 27 THR HB 1 28 SER H . . 5.020 3.489 3.109 3.866 . 0 0 "[ . 1 . 2]" 1
227 1 27 THR HB 1 38 LYS HB3 . . 4.750 4.220 2.325 4.673 . 0 0 "[ . 1 . 2]" 1
228 1 27 THR HB 1 38 LYS QE . . 5.060 3.931 3.593 4.384 . 0 0 "[ . 1 . 2]" 1
229 1 27 THR HB 1 39 GLN H . . 3.960 4.075 3.982 4.202 0.242 13 0 "[ . 1 . 2]" 1
230 1 28 SER H 1 28 SER QB . . 3.320 2.298 2.198 2.399 . 0 0 "[ . 1 . 2]" 1
231 1 28 SER H 1 39 GLN H . . 3.570 2.719 2.483 2.985 . 0 0 "[ . 1 . 2]" 1
232 1 28 SER H 1 39 GLN QG . . 4.870 3.498 2.869 4.315 . 0 0 "[ . 1 . 2]" 1
233 1 28 SER H 1 43 PHE QE . . 4.550 4.366 4.020 4.591 0.041 9 0 "[ . 1 . 2]" 1
234 1 28 SER QB 1 29 VAL H . . 4.040 3.826 3.536 3.917 . 0 0 "[ . 1 . 2]" 1
235 1 28 SER QB 1 30 ARG QG . . 5.120 3.627 2.847 4.087 . 0 0 "[ . 1 . 2]" 1
236 1 28 SER QB 1 39 GLN H . . 4.930 3.484 3.349 3.741 . 0 0 "[ . 1 . 2]" 1
237 1 28 SER QB 1 39 GLN HB3 . . 5.130 5.113 4.014 5.272 0.142 8 0 "[ . 1 . 2]" 1
238 1 28 SER QB 1 39 GLN QG . . 4.330 2.829 2.181 4.375 0.045 13 0 "[ . 1 . 2]" 1
239 1 28 SER QB 1 41 GLY H . . 3.910 3.893 3.623 4.042 0.132 13 0 "[ . 1 . 2]" 1
240 1 28 SER QB 1 43 PHE QE . . 4.300 3.306 2.881 4.286 . 0 0 "[ . 1 . 2]" 1
241 1 29 VAL H 1 29 VAL HB . . 3.860 3.175 2.918 3.304 . 0 0 "[ . 1 . 2]" 1
242 1 29 VAL H 1 30 ARG QG . . 4.090 3.975 3.522 4.144 0.054 9 0 "[ . 1 . 2]" 1
243 1 29 VAL H 1 38 LYS HA . . 5.500 3.950 3.787 4.102 . 0 0 "[ . 1 . 2]" 1
244 1 29 VAL H 1 38 LYS HG3 . . 4.040 3.551 3.173 4.135 0.095 9 0 "[ . 1 . 2]" 1
245 1 29 VAL HA 1 30 ARG H . . 3.140 2.031 1.979 2.179 . 0 0 "[ . 1 . 2]" 1
246 1 29 VAL HA 1 38 LYS QE . . 4.590 4.634 4.586 4.754 0.164 9 0 "[ . 1 . 2]" 1
247 1 29 VAL HA 1 39 GLN H . . 4.370 3.455 3.025 3.930 . 0 0 "[ . 1 . 2]" 1
248 1 29 VAL HB 1 30 ARG H . . 4.570 4.080 3.964 4.253 . 0 0 "[ . 1 . 2]" 1
249 1 29 VAL HB 1 38 LYS H . . 3.900 3.954 3.917 4.035 0.135 9 0 "[ . 1 . 2]" 1
250 1 29 VAL HB 1 38 LYS HG2 . . 3.850 3.432 2.358 3.524 . 0 0 "[ . 1 . 2]" 1
251 1 29 VAL HB 1 38 LYS HG3 . . 3.760 1.924 1.743 1.981 . 0 0 "[ . 1 . 2]" 1
252 1 30 ARG H 1 30 ARG QG . . 3.940 2.737 2.468 2.821 . 0 0 "[ . 1 . 2]" 1
253 1 30 ARG H 1 31 VAL HA . . 4.920 4.691 4.549 4.772 . 0 0 "[ . 1 . 2]" 1
254 1 30 ARG H 1 36 LEU HB3 . . 4.820 4.825 4.674 4.875 0.055 7 0 "[ . 1 . 2]" 1
255 1 30 ARG H 1 37 GLU H . . 3.600 2.615 2.521 2.727 . 0 0 "[ . 1 . 2]" 1
256 1 30 ARG H 1 38 LYS HA . . 4.610 3.771 3.475 4.328 . 0 0 "[ . 1 . 2]" 1
257 1 30 ARG HA 1 30 ARG QD . . 4.280 4.009 3.967 4.052 . 0 0 "[ . 1 . 2]" 1
258 1 30 ARG QB 1 36 LEU HA . . 4.930 4.886 4.742 4.990 0.060 16 0 "[ . 1 . 2]" 1
259 1 30 ARG QB 1 37 GLU H . . 4.680 4.080 3.873 4.550 . 0 0 "[ . 1 . 2]" 1
260 1 30 ARG QD 1 31 VAL H . . 4.750 4.691 4.533 4.801 0.051 19 0 "[ . 1 . 2]" 1
261 1 30 ARG QG 1 31 VAL H . . 4.230 4.086 3.963 4.210 . 0 0 "[ . 1 . 2]" 1
262 1 31 VAL H 1 31 VAL HB . . 3.090 2.492 2.454 2.556 . 0 0 "[ . 1 . 2]" 1
263 1 31 VAL H 1 36 LEU HG . . 4.890 4.725 4.174 4.908 0.018 12 0 "[ . 1 . 2]" 1
264 1 31 VAL HA 1 32 THR H . . 2.760 1.990 1.951 2.030 . 0 0 "[ . 1 . 2]" 1
265 1 31 VAL HA 1 36 LEU H . . 4.870 4.352 4.107 4.659 . 0 0 "[ . 1 . 2]" 1
266 1 31 VAL HA 1 36 LEU HA . . 3.790 2.488 2.300 2.734 . 0 0 "[ . 1 . 2]" 1
267 1 31 VAL HA 1 37 GLU H . . 4.460 3.700 3.469 3.979 . 0 0 "[ . 1 . 2]" 1
268 1 31 VAL HB 1 32 THR H . . 4.380 4.243 4.188 4.297 . 0 0 "[ . 1 . 2]" 1
269 1 32 THR H 1 35 GLY H . . 3.810 2.622 2.502 2.755 . 0 0 "[ . 1 . 2]" 1
270 1 32 THR H 1 35 GLY QA . . 5.030 3.399 3.191 3.613 . 0 0 "[ . 1 . 2]" 1
271 1 32 THR HA 1 33 ALA MB . . 4.400 4.290 4.198 4.344 . 0 0 "[ . 1 . 2]" 1
272 1 32 THR HA 1 34 SER H . . 4.120 4.074 3.936 4.178 0.058 20 0 "[ . 1 . 2]" 1
273 1 32 THR HB 1 33 ALA H . . 3.600 2.061 1.971 2.127 . 0 0 "[ . 1 . 2]" 1
274 1 32 THR HB 1 33 ALA MB . . 4.410 3.664 3.525 3.840 . 0 0 "[ . 1 . 2]" 1
275 1 32 THR HB 1 34 SER H . . 3.320 2.627 2.461 2.874 . 0 0 "[ . 1 . 2]" 1
276 1 32 THR HB 1 35 GLY H . . 3.840 3.909 3.875 3.937 0.097 11 0 "[ . 1 . 2]" 1
277 1 33 ALA H 1 33 ALA MB . . 3.520 2.226 2.195 2.260 . 0 0 "[ . 1 . 2]" 1
278 1 33 ALA H 1 34 SER H . . 4.350 2.581 2.494 2.711 . 0 0 "[ . 1 . 2]" 1
279 1 33 ALA HA 1 35 GLY H . . 4.480 3.964 3.571 4.321 . 0 0 "[ . 1 . 2]" 1
280 1 33 ALA MB 1 34 SER H . . 3.800 2.998 2.821 3.148 . 0 0 "[ . 1 . 2]" 1
281 1 34 SER H 1 34 SER QB . . 3.540 2.457 2.238 2.887 . 0 0 "[ . 1 . 2]" 1
282 1 34 SER H 1 35 GLY H . . 3.250 2.298 2.142 2.402 . 0 0 "[ . 1 . 2]" 1
283 1 35 GLY QA 1 36 LEU H . . 2.900 2.182 2.095 2.265 . 0 0 "[ . 1 . 2]" 1
284 1 35 GLY HA2 1 36 LEU H . . 3.460 3.023 2.771 3.258 . 0 0 "[ . 1 . 2]" 1
285 1 35 GLY HA3 1 36 LEU H . . 3.460 2.245 2.124 2.402 . 0 0 "[ . 1 . 2]" 1
286 1 36 LEU H 1 36 LEU HB2 . . 3.170 2.512 2.461 2.551 . 0 0 "[ . 1 . 2]" 1
287 1 36 LEU H 1 36 LEU HB3 . . 3.800 3.661 3.635 3.689 . 0 0 "[ . 1 . 2]" 1
288 1 36 LEU H 1 36 LEU HG . . 4.410 3.808 3.641 4.080 . 0 0 "[ . 1 . 2]" 1
289 1 36 LEU HA 1 37 GLU H . . 3.120 2.100 2.061 2.129 . 0 0 "[ . 1 . 2]" 1
290 1 36 LEU HB2 1 37 GLU H . . 4.300 4.229 4.160 4.293 . 0 0 "[ . 1 . 2]" 1
291 1 36 LEU HB3 1 36 LEU HG . . 2.550 2.505 2.480 2.523 . 0 0 "[ . 1 . 2]" 1
292 1 36 LEU HB3 1 37 GLU H . . 4.210 3.288 3.152 3.417 . 0 0 "[ . 1 . 2]" 1
293 1 37 GLU H 1 37 GLU HB2 . . 3.890 3.016 2.700 3.294 . 0 0 "[ . 1 . 2]" 1
294 1 37 GLU H 1 37 GLU QB . . 3.380 2.610 2.462 2.716 . 0 0 "[ . 1 . 2]" 1
295 1 37 GLU H 1 37 GLU HB3 . . 3.890 3.106 2.598 3.850 . 0 0 "[ . 1 . 2]" 1
296 1 37 GLU H 1 37 GLU HG2 . . 5.030 4.518 4.175 4.959 . 0 0 "[ . 1 . 2]" 1
297 1 37 GLU H 1 37 GLU HG3 . . 5.030 4.165 3.106 4.766 . 0 0 "[ . 1 . 2]" 1
298 1 37 GLU H 1 38 LYS H . . 4.230 4.118 3.996 4.221 . 0 0 "[ . 1 . 2]" 1
299 1 37 GLU HA 1 38 LYS H . . 2.920 2.048 1.876 2.192 . 0 0 "[ . 1 . 2]" 1
300 1 37 GLU QG 1 38 LYS H . . 3.800 3.253 2.820 3.780 . 0 0 "[ . 1 . 2]" 1
301 1 37 GLU HG2 1 38 LYS H . . 4.450 3.842 3.186 4.570 0.120 18 0 "[ . 1 . 2]" 1
302 1 37 GLU HG3 1 38 LYS H . . 4.450 3.749 3.003 4.663 0.213 10 0 "[ . 1 . 2]" 1
303 1 38 LYS H 1 38 LYS HB2 . . 3.260 2.578 2.311 2.697 . 0 0 "[ . 1 . 2]" 1
304 1 38 LYS H 1 38 LYS HG2 . . 4.670 4.492 4.053 4.619 . 0 0 "[ . 1 . 2]" 1
305 1 38 LYS H 1 38 LYS HG3 . . 4.410 4.351 2.799 4.486 0.076 16 0 "[ . 1 . 2]" 1
306 1 38 LYS HA 1 39 GLN H . . 2.890 2.115 1.960 2.196 . 0 0 "[ . 1 . 2]" 1
307 1 38 LYS HB2 1 39 GLN H . . 4.310 4.311 4.043 4.340 0.030 18 0 "[ . 1 . 2]" 1
308 1 38 LYS HB3 1 38 LYS QD . . 2.400 2.410 2.356 2.442 0.042 9 0 "[ . 1 . 2]" 1
309 1 38 LYS HB3 1 38 LYS HG2 . . 3.000 2.421 2.326 2.550 . 0 0 "[ . 1 . 2]" 1
310 1 38 LYS HB3 1 39 GLN H . . 3.940 3.879 2.954 3.997 0.057 16 0 "[ . 1 . 2]" 1
311 1 38 LYS QE 1 38 LYS HG3 . . 3.880 2.365 2.172 2.421 . 0 0 "[ . 1 . 2]" 1
312 1 39 GLN H 1 39 GLN HB2 . . 3.970 3.882 3.360 4.018 0.048 20 0 "[ . 1 . 2]" 1
313 1 39 GLN H 1 39 GLN HB3 . . 3.720 3.192 2.596 3.390 . 0 0 "[ . 1 . 2]" 1
314 1 39 GLN H 1 39 GLN QG . . 3.820 2.528 2.182 3.918 0.098 13 0 "[ . 1 . 2]" 1
315 1 39 GLN H 1 40 PRO QD . . 4.840 4.378 4.051 4.453 . 0 0 "[ . 1 . 2]" 1
316 1 39 GLN HA 1 39 GLN QG . . 3.990 3.371 3.110 3.601 . 0 0 "[ . 1 . 2]" 1
317 1 39 GLN HA 1 40 PRO HD2 . . 3.450 2.708 2.283 3.125 . 0 0 "[ . 1 . 2]" 1
318 1 39 GLN HA 1 40 PRO QD . . 2.970 2.184 1.821 2.332 . 0 0 "[ . 1 . 2]" 1
319 1 39 GLN HA 1 40 PRO HD3 . . 3.450 2.416 1.861 2.762 . 0 0 "[ . 1 . 2]" 1
320 1 39 GLN HB2 1 40 PRO HD2 . . 3.910 2.249 1.919 3.876 . 0 0 "[ . 1 . 2]" 1
321 1 39 GLN HB2 1 40 PRO QD . . 3.380 2.195 1.910 3.480 0.100 13 0 "[ . 1 . 2]" 1
322 1 39 GLN HB2 1 40 PRO HD3 . . 3.910 3.379 2.910 3.938 0.028 13 0 "[ . 1 . 2]" 1
323 1 39 GLN HB3 1 40 PRO HD2 . . 4.670 3.695 3.327 4.515 . 0 0 "[ . 1 . 2]" 1
324 1 39 GLN HB3 1 40 PRO QD . . 4.000 3.475 3.256 4.071 0.071 13 0 "[ . 1 . 2]" 1
325 1 39 GLN HB3 1 40 PRO HD3 . . 4.670 4.397 3.969 4.702 0.032 20 0 "[ . 1 . 2]" 1
326 1 39 GLN QG 1 40 PRO QD . . 4.560 3.533 2.907 4.204 . 0 0 "[ . 1 . 2]" 1
327 1 40 PRO HA 1 41 GLY H . . 2.880 2.127 2.076 2.184 . 0 0 "[ . 1 . 2]" 1
328 1 40 PRO QB 1 41 GLY H . . 3.670 3.270 3.232 3.334 . 0 0 "[ . 1 . 2]" 1
329 1 40 PRO HB2 1 41 GLY H . . 4.200 3.682 3.485 3.898 . 0 0 "[ . 1 . 2]" 1
330 1 40 PRO HB3 1 41 GLY H . . 4.200 3.705 3.488 3.946 . 0 0 "[ . 1 . 2]" 1
331 1 40 PRO QG 1 75 GLY QA . . 3.840 3.017 2.019 3.843 0.003 2 0 "[ . 1 . 2]" 1
332 1 41 GLY QA 1 42 ILE HB . . 5.110 4.264 4.100 4.353 . 0 0 "[ . 1 . 2]" 1
333 1 41 GLY QA 1 43 PHE QE . . 3.140 3.188 3.158 3.250 0.110 13 0 "[ . 1 . 2]" 1
334 1 41 GLY HA2 1 42 ILE H . . 3.420 2.144 2.039 2.262 . 0 0 "[ . 1 . 2]" 1
335 1 41 GLY HA3 1 42 ILE H . . 3.420 3.009 2.855 3.134 . 0 0 "[ . 1 . 2]" 1
336 1 42 ILE H 1 42 ILE HB . . 3.460 2.525 2.427 2.604 . 0 0 "[ . 1 . 2]" 1
337 1 42 ILE H 1 43 PHE H . . 4.460 4.344 4.297 4.423 . 0 0 "[ . 1 . 2]" 1
338 1 42 ILE H 1 65 VAL H . . 4.660 3.965 3.570 4.247 . 0 0 "[ . 1 . 2]" 1
339 1 42 ILE HA 1 43 PHE H . . 3.450 2.063 1.990 2.159 . 0 0 "[ . 1 . 2]" 1
340 1 42 ILE HB 1 43 PHE H . . 4.220 4.060 3.986 4.139 . 0 0 "[ . 1 . 2]" 1
341 1 42 ILE HB 1 65 VAL HB . . 3.900 3.402 2.329 3.977 0.077 17 0 "[ . 1 . 2]" 1
342 1 42 ILE HG12 1 43 PHE H . . 4.820 4.859 4.823 4.896 0.076 3 0 "[ . 1 . 2]" 1
343 1 43 PHE H 1 43 PHE HB3 . . 3.850 3.787 3.743 3.834 . 0 0 "[ . 1 . 2]" 1
344 1 43 PHE H 1 43 PHE QD . . 2.900 2.581 2.466 2.827 . 0 0 "[ . 1 . 2]" 1
345 1 43 PHE HA 1 44 ILE H . . 3.230 2.383 2.345 2.447 . 0 0 "[ . 1 . 2]" 1
346 1 43 PHE HA 1 64 GLU HA . . 3.550 2.266 2.055 2.753 . 0 0 "[ . 1 . 2]" 1
347 1 43 PHE HA 1 65 VAL H . . 3.880 2.826 2.527 3.121 . 0 0 "[ . 1 . 2]" 1
348 1 43 PHE HB2 1 44 ILE H . . 3.740 3.485 3.409 3.568 . 0 0 "[ . 1 . 2]" 1
349 1 43 PHE HB3 1 62 ASN HA . . 4.740 4.536 3.976 4.759 0.019 2 0 "[ . 1 . 2]" 1
350 1 43 PHE QD 1 44 ILE H . . 4.570 4.067 3.921 4.236 . 0 0 "[ . 1 . 2]" 1
351 1 43 PHE QD 1 64 GLU H . . 4.440 4.237 3.962 4.449 0.009 17 0 "[ . 1 . 2]" 1
352 1 43 PHE QD 1 64 GLU HG3 . . 5.010 3.466 2.812 3.963 . 0 0 "[ . 1 . 2]" 1
353 1 43 PHE QD 1 65 VAL H . . 4.700 4.497 4.058 4.720 0.020 14 0 "[ . 1 . 2]" 1
354 1 43 PHE QE 1 64 GLU HA . . 4.660 4.139 3.768 4.555 . 0 0 "[ . 1 . 2]" 1
355 1 43 PHE QE 1 64 GLU QB . . 3.120 2.562 2.311 2.878 . 0 0 "[ . 1 . 2]" 1
356 1 43 PHE QE 1 64 GLU HG2 . . 4.980 4.485 3.913 4.753 . 0 0 "[ . 1 . 2]" 1
357 1 44 ILE H 1 44 ILE HB . . 3.450 2.498 2.425 2.566 . 0 0 "[ . 1 . 2]" 1
358 1 44 ILE H 1 44 ILE HG12 . . 3.850 2.558 2.128 3.571 . 0 0 "[ . 1 . 2]" 1
359 1 44 ILE H 1 61 VAL HA . . 4.850 4.067 3.657 4.636 . 0 0 "[ . 1 . 2]" 1
360 1 44 ILE HA 1 45 SER H . . 3.170 2.170 2.089 2.227 . 0 0 "[ . 1 . 2]" 1
361 1 44 ILE HB 1 61 VAL H . . 4.770 4.295 3.889 4.620 . 0 0 "[ . 1 . 2]" 1
362 1 44 ILE HB 1 61 VAL HA . . 4.400 1.975 1.852 2.198 . 0 0 "[ . 1 . 2]" 1
363 1 44 ILE HB 1 62 ASN H . . 4.510 4.385 4.205 4.548 0.038 16 0 "[ . 1 . 2]" 1
364 1 44 ILE HB 1 63 ASP H . . 3.720 3.406 3.291 3.621 . 0 0 "[ . 1 . 2]" 1
365 1 44 ILE HB 1 63 ASP HB2 . . 5.050 3.624 3.188 3.906 . 0 0 "[ . 1 . 2]" 1
366 1 44 ILE HG12 1 63 ASP HB2 . . 4.810 3.346 2.578 4.834 0.024 5 0 "[ . 1 . 2]" 1
367 1 45 SER H 1 45 SER QB . . 3.700 2.453 2.333 2.643 . 0 0 "[ . 1 . 2]" 1
368 1 45 SER H 1 46 ARG H . . 3.240 2.170 2.052 2.300 . 0 0 "[ . 1 . 2]" 1
369 1 45 SER HB2 1 46 ARG H . . 4.720 4.200 3.932 4.384 . 0 0 "[ . 1 . 2]" 1
370 1 45 SER HB3 1 46 ARG H . . 4.720 3.469 2.897 4.036 . 0 0 "[ . 1 . 2]" 1
371 1 46 ARG H 1 46 ARG QG . . 4.870 4.199 4.126 4.337 . 0 0 "[ . 1 . 2]" 1
372 1 46 ARG H 1 47 LEU H . . 4.860 4.201 4.131 4.268 . 0 0 "[ . 1 . 2]" 1
373 1 46 ARG H 1 61 VAL HB . . 4.820 4.863 4.828 4.919 0.099 15 0 "[ . 1 . 2]" 1
374 1 46 ARG HA 1 47 LEU H . . 2.940 2.217 2.149 2.314 . 0 0 "[ . 1 . 2]" 1
375 1 46 ARG QB 1 46 ARG QD . . 3.320 2.273 2.077 2.778 . 0 0 "[ . 1 . 2]" 1
376 1 46 ARG QB 1 46 ARG QG . . 2.170 2.069 2.000 2.099 . 0 0 "[ . 1 . 2]" 1
377 1 46 ARG QB 1 47 LEU H . . 4.170 3.606 3.517 3.716 . 0 0 "[ . 1 . 2]" 1
378 1 46 ARG QD 1 47 LEU H . . 4.780 3.908 2.008 4.707 . 0 0 "[ . 1 . 2]" 1
379 1 46 ARG QG 1 47 LEU H . . 3.650 2.548 2.313 2.869 . 0 0 "[ . 1 . 2]" 1
380 1 46 ARG HG2 1 47 LEU H . . 4.490 3.191 2.532 4.339 . 0 0 "[ . 1 . 2]" 1
381 1 46 ARG HG3 1 47 LEU H . . 4.490 2.773 2.550 3.099 . 0 0 "[ . 1 . 2]" 1
382 1 47 LEU H 1 47 LEU HB2 . . 3.760 2.475 2.342 3.105 . 0 0 "[ . 1 . 2]" 1
383 1 47 LEU H 1 47 LEU QB . . 3.240 2.367 2.241 2.433 . 0 0 "[ . 1 . 2]" 1
384 1 47 LEU H 1 47 LEU HB3 . . 3.760 3.311 2.539 3.643 . 0 0 "[ . 1 . 2]" 1
385 1 47 LEU H 1 47 LEU HG . . 4.290 3.453 2.789 4.393 0.103 5 0 "[ . 1 . 2]" 1
386 1 47 LEU H 1 48 VAL H . . 4.680 4.391 4.237 4.463 . 0 0 "[ . 1 . 2]" 1
387 1 47 LEU HA 1 48 VAL H . . 3.170 2.205 2.125 2.305 . 0 0 "[ . 1 . 2]" 1
388 1 47 LEU QB 1 48 VAL H . . 4.020 3.127 2.664 3.738 . 0 0 "[ . 1 . 2]" 1
389 1 47 LEU QB 1 54 GLU QB . . 4.720 3.265 2.028 4.703 . 0 0 "[ . 1 . 2]" 1
390 1 47 LEU QB 1 54 GLU QG . . 5.160 4.012 2.270 5.258 0.098 6 0 "[ . 1 . 2]" 1
391 1 48 VAL H 1 48 VAL HB . . 3.340 2.578 2.483 2.768 . 0 0 "[ . 1 . 2]" 1
392 1 48 VAL HA 1 49 PRO QD . . 3.450 1.932 1.903 1.977 . 0 0 "[ . 1 . 2]" 1
393 1 48 VAL HB 1 51 GLY HA3 . . 4.720 3.527 3.254 3.782 . 0 0 "[ . 1 . 2]" 1
394 1 49 PRO HA 1 50 GLY H . . 3.000 2.194 2.101 2.319 . 0 0 "[ . 1 . 2]" 1
395 1 49 PRO HA 1 50 GLY QA . . 4.810 3.961 3.896 4.043 . 0 0 "[ . 1 . 2]" 1
396 1 49 PRO HA 1 51 GLY H . . 4.470 3.301 3.094 3.531 . 0 0 "[ . 1 . 2]" 1
397 1 49 PRO QB 1 50 GLY H . . 3.950 3.230 2.978 3.368 . 0 0 "[ . 1 . 2]" 1
398 1 50 GLY H 1 51 GLY H . . 3.640 2.510 2.255 2.736 . 0 0 "[ . 1 . 2]" 1
399 1 50 GLY H 1 54 GLU HB2 . . 4.510 3.771 2.975 4.302 . 0 0 "[ . 1 . 2]" 1
400 1 50 GLY H 1 54 GLU QB . . 3.860 2.569 2.088 3.052 . 0 0 "[ . 1 . 2]" 1
401 1 50 GLY H 1 54 GLU HB3 . . 4.510 2.666 2.133 4.126 . 0 0 "[ . 1 . 2]" 1
402 1 50 GLY H 1 54 GLU QG . . 4.470 2.989 1.733 3.624 . 0 0 "[ . 1 . 2]" 1
403 1 51 GLY H 1 52 LEU H . . 4.850 4.569 4.516 4.626 . 0 0 "[ . 1 . 2]" 1
404 1 51 GLY H 1 54 GLU H . . 4.730 3.931 3.724 4.178 . 0 0 "[ . 1 . 2]" 1
405 1 51 GLY HA2 1 52 LEU H . . 3.420 2.489 2.351 2.669 . 0 0 "[ . 1 . 2]" 1
406 1 51 GLY HA2 1 53 ALA H . . 4.840 4.394 4.214 4.643 . 0 0 "[ . 1 . 2]" 1
407 1 51 GLY HA2 1 54 GLU H . . 4.810 4.829 4.625 5.077 0.267 13 0 "[ . 1 . 2]" 1
408 1 51 GLY HA3 1 52 LEU H . . 3.550 2.704 2.537 2.813 . 0 0 "[ . 1 . 2]" 1
409 1 52 LEU H 1 52 LEU HB2 . . 3.380 2.366 2.300 2.435 . 0 0 "[ . 1 . 2]" 1
410 1 52 LEU H 1 52 LEU HB3 . . 3.380 3.503 3.438 3.520 0.140 5 0 "[ . 1 . 2]" 1
411 1 52 LEU H 1 52 LEU HG . . 4.050 3.679 2.057 3.894 . 0 0 "[ . 1 . 2]" 1
412 1 52 LEU H 1 53 ALA H . . 3.610 2.608 2.492 2.820 . 0 0 "[ . 1 . 2]" 1
413 1 52 LEU HA 1 55 SER H . . 5.060 3.271 2.913 3.719 . 0 0 "[ . 1 . 2]" 1
414 1 52 LEU QB 1 52 LEU HG . . 2.400 2.172 2.135 2.416 0.016 12 0 "[ . 1 . 2]" 1
415 1 52 LEU QB 1 53 ALA H . . 3.540 2.680 2.394 2.829 . 0 0 "[ . 1 . 2]" 1
416 1 52 LEU HB2 1 52 LEU HG . . 2.760 2.479 2.351 2.566 . 0 0 "[ . 1 . 2]" 1
417 1 52 LEU HB2 1 53 ALA H . . 4.370 2.759 2.454 2.916 . 0 0 "[ . 1 . 2]" 1
418 1 52 LEU HB3 1 52 LEU HG . . 2.760 2.423 2.312 2.951 0.191 11 0 "[ . 1 . 2]" 1
419 1 52 LEU HB3 1 53 ALA H . . 4.370 3.641 3.334 3.837 . 0 0 "[ . 1 . 2]" 1
420 1 53 ALA H 1 53 ALA MB . . 3.190 2.242 2.212 2.270 . 0 0 "[ . 1 . 2]" 1
421 1 53 ALA H 1 54 GLU H . . 4.010 2.693 2.527 2.865 . 0 0 "[ . 1 . 2]" 1
422 1 53 ALA HA 1 56 THR H . . 4.530 3.753 3.491 3.980 . 0 0 "[ . 1 . 2]" 1
423 1 53 ALA MB 1 54 GLU H . . 3.740 2.502 2.369 2.750 . 0 0 "[ . 1 . 2]" 1
424 1 54 GLU H 1 54 GLU HB2 . . 3.690 2.567 2.430 2.705 . 0 0 "[ . 1 . 2]" 1
425 1 54 GLU H 1 54 GLU HB3 . . 3.690 2.545 2.398 3.638 . 0 0 "[ . 1 . 2]" 1
426 1 54 GLU H 1 55 SER H . . 3.800 2.447 2.355 2.526 . 0 0 "[ . 1 . 2]" 1
427 1 54 GLU HA 1 54 GLU QG . . 3.550 2.672 2.424 3.043 . 0 0 "[ . 1 . 2]" 1
428 1 54 GLU QB 1 55 SER H . . 3.650 2.722 2.439 2.924 . 0 0 "[ . 1 . 2]" 1
429 1 55 SER H 1 55 SER QB . . 3.220 2.366 2.163 2.556 . 0 0 "[ . 1 . 2]" 1
430 1 55 SER H 1 56 THR H . . 3.600 2.821 2.621 2.917 . 0 0 "[ . 1 . 2]" 1
431 1 55 SER QB 1 56 THR H . . 3.880 2.573 2.117 2.855 . 0 0 "[ . 1 . 2]" 1
432 1 56 THR HB 1 58 LEU H . . 4.550 4.208 2.212 4.550 0.000 1 0 "[ . 1 . 2]" 1
433 1 56 THR HB 1 58 LEU QB . . 4.880 4.678 3.105 5.004 0.124 18 0 "[ . 1 . 2]" 1
434 1 56 THR HB 1 58 LEU HG . . 4.070 4.092 3.633 4.200 0.130 19 0 "[ . 1 . 2]" 1
435 1 57 GLY H 1 58 LEU H . . 3.400 2.620 2.453 2.794 . 0 0 "[ . 1 . 2]" 1
436 1 57 GLY QA 1 59 LEU H . . 4.820 3.344 3.100 3.816 . 0 0 "[ . 1 . 2]" 1
437 1 58 LEU H 1 58 LEU QB . . 3.300 2.563 2.463 2.796 . 0 0 "[ . 1 . 2]" 1
438 1 58 LEU H 1 58 LEU HG . . 4.420 2.471 2.192 3.067 . 0 0 "[ . 1 . 2]" 1
439 1 58 LEU H 1 59 LEU H . . 3.130 2.163 1.626 2.392 . 0 0 "[ . 1 . 2]" 1
440 1 58 LEU QB 1 58 LEU HG . . 2.560 2.288 2.260 2.369 . 0 0 "[ . 1 . 2]" 1
441 1 58 LEU QB 1 59 LEU H . . 4.110 3.325 2.986 3.958 . 0 0 "[ . 1 . 2]" 1
442 1 58 LEU HG 1 59 LEU H . . 4.240 4.213 3.266 4.399 0.159 15 0 "[ . 1 . 2]" 1
443 1 59 LEU H 1 59 LEU QB . . 3.620 2.553 2.220 2.915 . 0 0 "[ . 1 . 2]" 1
444 1 59 LEU H 1 59 LEU HG . . 3.880 3.402 2.953 4.011 0.131 13 0 "[ . 1 . 2]" 1
445 1 59 LEU H 1 60 ALA H . . 4.930 4.397 4.308 4.525 . 0 0 "[ . 1 . 2]" 1
446 1 59 LEU HA 1 60 ALA H . . 3.440 2.156 2.052 2.337 . 0 0 "[ . 1 . 2]" 1
447 1 59 LEU QB 1 60 ALA H . . 3.490 3.054 2.557 3.220 . 0 0 "[ . 1 . 2]" 1
448 1 60 ALA H 1 60 ALA MB . . 3.380 2.485 2.434 2.533 . 0 0 "[ . 1 . 2]" 1
449 1 60 ALA H 1 63 ASP H . . 4.320 3.592 3.298 3.775 . 0 0 "[ . 1 . 2]" 1
450 1 60 ALA H 1 63 ASP HB2 . . 4.460 2.768 2.257 3.123 . 0 0 "[ . 1 . 2]" 1
451 1 60 ALA H 1 63 ASP HB3 . . 4.880 3.963 3.538 4.239 . 0 0 "[ . 1 . 2]" 1
452 1 60 ALA HA 1 61 VAL H . . 3.110 2.439 2.345 2.510 . 0 0 "[ . 1 . 2]" 1
453 1 60 ALA MB 1 61 VAL H . . 3.350 2.400 2.261 2.578 . 0 0 "[ . 1 . 2]" 1
454 1 60 ALA MB 1 63 ASP H . . 4.330 3.220 3.081 3.481 . 0 0 "[ . 1 . 2]" 1
455 1 61 VAL H 1 61 VAL HB . . 3.500 3.590 3.564 3.605 0.105 1 0 "[ . 1 . 2]" 1
456 1 61 VAL H 1 62 ASN H . . 3.730 2.687 2.612 2.835 . 0 0 "[ . 1 . 2]" 1
457 1 61 VAL HA 1 62 ASN H . . 3.330 3.388 3.365 3.413 0.083 20 0 "[ . 1 . 2]" 1
458 1 61 VAL HA 1 62 ASN HA . . 4.700 4.657 4.558 4.728 0.028 13 0 "[ . 1 . 2]" 1
459 1 61 VAL HA 1 63 ASP H . . 4.080 3.700 3.545 3.846 . 0 0 "[ . 1 . 2]" 1
460 1 61 VAL HB 1 62 ASN H . . 4.570 3.956 3.874 4.083 . 0 0 "[ . 1 . 2]" 1
461 1 62 ASN H 1 63 ASP H . . 3.810 2.560 2.443 2.651 . 0 0 "[ . 1 . 2]" 1
462 1 62 ASN H 1 63 ASP HB2 . . 5.140 4.769 4.627 4.937 . 0 0 "[ . 1 . 2]" 1
463 1 62 ASN QB 1 63 ASP H . . 4.190 3.397 3.144 3.842 . 0 0 "[ . 1 . 2]" 1
464 1 62 ASN HB2 1 63 ASP H . . 4.830 3.722 3.248 4.373 . 0 0 "[ . 1 . 2]" 1
465 1 62 ASN HB2 1 99 ALA MB . . 4.200 3.526 2.308 4.365 0.165 9 0 "[ . 1 . 2]" 1
466 1 62 ASN HB3 1 63 ASP H . . 4.830 4.104 3.302 4.296 . 0 0 "[ . 1 . 2]" 1
467 1 62 ASN HB3 1 99 ALA MB . . 4.200 3.110 2.072 4.235 0.035 19 0 "[ . 1 . 2]" 1
468 1 63 ASP H 1 63 ASP HB2 . . 3.410 2.433 2.356 2.515 . 0 0 "[ . 1 . 2]" 1
469 1 63 ASP H 1 63 ASP HB3 . . 3.710 3.605 3.576 3.647 . 0 0 "[ . 1 . 2]" 1
470 1 63 ASP H 1 98 PRO HA . . 4.590 4.325 3.949 4.696 0.106 4 0 "[ . 1 . 2]" 1
471 1 63 ASP HA 1 64 GLU H . . 3.330 2.127 1.998 2.290 . 0 0 "[ . 1 . 2]" 1
472 1 63 ASP HA 1 99 ALA H . . 3.630 2.946 2.320 3.635 0.005 6 0 "[ . 1 . 2]" 1
473 1 63 ASP HA 1 99 ALA MB . . 4.810 4.040 3.251 4.813 0.003 12 0 "[ . 1 . 2]" 1
474 1 63 ASP HB2 1 64 GLU H . . 4.320 3.967 3.654 4.184 . 0 0 "[ . 1 . 2]" 1
475 1 63 ASP HB2 1 96 VAL HB . . 4.720 3.428 3.068 3.715 . 0 0 "[ . 1 . 2]" 1
476 1 63 ASP HB2 1 98 PRO HA . . 4.970 4.538 4.043 4.976 0.006 19 0 "[ . 1 . 2]" 1
477 1 63 ASP HB3 1 64 GLU H . . 3.930 2.835 2.479 3.129 . 0 0 "[ . 1 . 2]" 1
478 1 63 ASP HB3 1 96 VAL HB . . 4.110 1.995 1.848 2.621 . 0 0 "[ . 1 . 2]" 1
479 1 63 ASP HB3 1 98 PRO HA . . 5.000 3.770 2.918 4.268 . 0 0 "[ . 1 . 2]" 1
480 1 64 GLU H 1 64 GLU HB2 . . 3.470 2.922 2.797 3.058 . 0 0 "[ . 1 . 2]" 1
481 1 64 GLU H 1 64 GLU HB3 . . 3.470 2.445 2.339 2.551 . 0 0 "[ . 1 . 2]" 1
482 1 64 GLU H 1 65 VAL H . . 5.030 4.450 4.360 4.558 . 0 0 "[ . 1 . 2]" 1
483 1 64 GLU H 1 96 VAL HA . . 4.760 4.486 4.199 4.746 . 0 0 "[ . 1 . 2]" 1
484 1 64 GLU H 1 97 LYS H . . 4.100 2.720 2.458 2.855 . 0 0 "[ . 1 . 2]" 1
485 1 64 GLU H 1 99 ALA H . . 4.520 4.116 3.492 4.537 0.017 11 0 "[ . 1 . 2]" 1
486 1 64 GLU HA 1 64 GLU HG2 . . 4.200 3.182 3.089 3.317 . 0 0 "[ . 1 . 2]" 1
487 1 64 GLU HA 1 65 VAL H . . 3.190 2.206 2.153 2.270 . 0 0 "[ . 1 . 2]" 1
488 1 64 GLU HA 1 96 VAL HB . . 4.380 4.493 4.452 4.557 0.177 11 0 "[ . 1 . 2]" 1
489 1 64 GLU HG2 1 65 VAL H . . 3.910 2.987 2.728 3.304 . 0 0 "[ . 1 . 2]" 1
490 1 64 GLU HG2 1 96 VAL HA . . 5.290 5.165 4.882 5.323 0.033 6 0 "[ . 1 . 2]" 1
491 1 64 GLU HG3 1 65 VAL H . . 3.900 3.111 2.684 3.396 . 0 0 "[ . 1 . 2]" 1
492 1 65 VAL H 1 65 VAL HB . . 3.960 2.618 2.478 2.773 . 0 0 "[ . 1 . 2]" 1
493 1 65 VAL HA 1 66 ILE H . . 3.060 2.070 1.994 2.186 . 0 0 "[ . 1 . 2]" 1
494 1 65 VAL HA 1 67 GLU H . . 4.890 4.131 3.924 4.406 . 0 0 "[ . 1 . 2]" 1
495 1 65 VAL HA 1 96 VAL HA . . 4.190 2.328 2.054 2.524 . 0 0 "[ . 1 . 2]" 1
496 1 65 VAL HA 1 97 LYS H . . 4.430 3.796 3.556 4.021 . 0 0 "[ . 1 . 2]" 1
497 1 65 VAL HB 1 66 ILE H . . 4.740 4.050 3.912 4.183 . 0 0 "[ . 1 . 2]" 1
498 1 66 ILE H 1 66 ILE HB . . 3.720 2.436 2.353 2.543 . 0 0 "[ . 1 . 2]" 1
499 1 66 ILE H 1 67 GLU H . . 3.260 2.306 2.190 2.469 . 0 0 "[ . 1 . 2]" 1
500 1 66 ILE H 1 95 THR H . . 4.660 3.951 3.779 4.214 . 0 0 "[ . 1 . 2]" 1
501 1 66 ILE H 1 96 VAL HA . . 3.790 2.674 2.384 2.892 . 0 0 "[ . 1 . 2]" 1
502 1 66 ILE HB 1 67 GLU H . . 3.630 2.457 2.316 2.627 . 0 0 "[ . 1 . 2]" 1
503 1 66 ILE HB 1 67 GLU HG2 . . 4.600 2.888 2.656 3.202 . 0 0 "[ . 1 . 2]" 1
504 1 66 ILE HB 1 95 THR HB . . 3.890 2.281 2.147 2.356 . 0 0 "[ . 1 . 2]" 1
505 1 66 ILE HB 1 96 VAL H . . 4.690 4.734 4.686 4.782 0.092 1 0 "[ . 1 . 2]" 1
506 1 66 ILE HB 1 97 LYS QG . . 4.460 4.336 3.943 4.489 0.029 16 0 "[ . 1 . 2]" 1
507 1 66 ILE HG12 1 95 THR HB . . 4.960 4.457 4.286 4.583 . 0 0 "[ . 1 . 2]" 1
508 1 66 ILE HG12 1 97 LYS H . . 4.440 3.324 3.131 3.509 . 0 0 "[ . 1 . 2]" 1
509 1 67 GLU H 1 67 GLU HG2 . . 3.840 2.664 2.549 2.813 . 0 0 "[ . 1 . 2]" 1
510 1 67 GLU H 1 68 VAL H . . 4.890 4.301 4.263 4.353 . 0 0 "[ . 1 . 2]" 1
511 1 67 GLU H 1 94 ILE HA . . 4.480 4.476 4.352 4.530 0.050 19 0 "[ . 1 . 2]" 1
512 1 67 GLU H 1 95 THR H . . 3.680 2.856 2.753 2.933 . 0 0 "[ . 1 . 2]" 1
513 1 67 GLU H 1 95 THR HB . . 3.350 2.250 2.044 2.472 . 0 0 "[ . 1 . 2]" 1
514 1 67 GLU HA 1 67 GLU HG2 . . 3.870 3.723 3.641 3.817 . 0 0 "[ . 1 . 2]" 1
515 1 67 GLU HA 1 67 GLU HG3 . . 3.950 3.750 3.694 3.810 . 0 0 "[ . 1 . 2]" 1
516 1 67 GLU HA 1 68 VAL H . . 3.030 2.293 2.228 2.368 . 0 0 "[ . 1 . 2]" 1
517 1 67 GLU HA 1 72 GLU HA . . 3.580 2.350 2.120 2.816 . 0 0 "[ . 1 . 2]" 1
518 1 67 GLU HA 1 73 VAL H . . 3.950 2.233 2.025 2.514 . 0 0 "[ . 1 . 2]" 1
519 1 67 GLU HA 1 95 THR HB . . 4.810 4.634 4.524 4.813 0.003 10 0 "[ . 1 . 2]" 1
520 1 67 GLU QB 1 95 THR HB . . 5.170 3.859 3.790 3.922 . 0 0 "[ . 1 . 2]" 1
521 1 67 GLU HG2 1 72 GLU HA . . 4.270 4.293 4.205 4.385 0.115 19 0 "[ . 1 . 2]" 1
522 1 67 GLU HG2 1 95 THR H . . 4.160 3.957 3.706 4.192 0.032 19 0 "[ . 1 . 2]" 1
523 1 67 GLU HG2 1 95 THR HB . . 3.640 2.094 1.986 2.248 . 0 0 "[ . 1 . 2]" 1
524 1 67 GLU HG3 1 68 VAL H . . 4.600 3.965 3.705 4.130 . 0 0 "[ . 1 . 2]" 1
525 1 67 GLU HG3 1 95 THR H . . 4.400 3.245 2.957 3.560 . 0 0 "[ . 1 . 2]" 1
526 1 67 GLU HG3 1 95 THR HB . . 4.960 2.521 2.239 2.966 . 0 0 "[ . 1 . 2]" 1
527 1 68 VAL H 1 68 VAL HB . . 3.290 3.206 2.790 3.321 0.031 19 0 "[ . 1 . 2]" 1
528 1 68 VAL H 1 69 ASN H . . 4.750 4.143 4.013 4.232 . 0 0 "[ . 1 . 2]" 1
529 1 68 VAL H 1 71 ILE H . . 3.670 3.248 3.071 3.444 . 0 0 "[ . 1 . 2]" 1
530 1 68 VAL H 1 71 ILE HB . . 4.130 3.581 3.272 3.818 . 0 0 "[ . 1 . 2]" 1
531 1 68 VAL H 1 72 GLU HA . . 4.430 3.756 3.475 4.163 . 0 0 "[ . 1 . 2]" 1
532 1 68 VAL H 1 73 VAL H . . 4.780 4.125 3.915 4.359 . 0 0 "[ . 1 . 2]" 1
533 1 68 VAL H 1 84 MET ME . . 4.430 4.130 3.450 4.534 0.104 20 0 "[ . 1 . 2]" 1
534 1 68 VAL H 1 94 ILE HA . . 4.850 4.889 4.746 4.928 0.078 12 0 "[ . 1 . 2]" 1
535 1 68 VAL HA 1 69 ASN H . . 3.140 2.054 1.960 2.091 . 0 0 "[ . 1 . 2]" 1
536 1 68 VAL HA 1 94 ILE HA . . 3.670 2.362 2.109 2.444 . 0 0 "[ . 1 . 2]" 1
537 1 68 VAL HA 1 94 ILE HB . . 5.090 4.993 4.726 5.107 0.017 19 0 "[ . 1 . 2]" 1
538 1 68 VAL HA 1 95 THR H . . 4.570 3.427 3.091 3.608 . 0 0 "[ . 1 . 2]" 1
539 1 68 VAL HB 1 84 MET HB2 . . 4.000 4.107 3.444 4.189 0.189 14 0 "[ . 1 . 2]" 1
540 1 68 VAL HB 1 94 ILE HG12 . . 4.810 2.652 2.273 4.011 . 0 0 "[ . 1 . 2]" 1
541 1 69 ASN H 1 70 GLY H . . 3.930 2.703 2.529 3.238 . 0 0 "[ . 1 . 2]" 1
542 1 69 ASN H 1 93 ILE H . . 4.570 3.365 2.926 3.770 . 0 0 "[ . 1 . 2]" 1
543 1 69 ASN H 1 93 ILE HA . . 4.600 4.391 4.297 4.536 . 0 0 "[ . 1 . 2]" 1
544 1 69 ASN H 1 93 ILE HB . . 4.060 2.451 2.207 2.957 . 0 0 "[ . 1 . 2]" 1
545 1 69 ASN H 1 94 ILE HA . . 4.550 3.375 2.842 3.542 . 0 0 "[ . 1 . 2]" 1
546 1 69 ASN HA 1 69 ASN HD21 . . 4.850 3.964 3.682 4.660 . 0 0 "[ . 1 . 2]" 1
547 1 69 ASN HA 1 70 GLY H . . 3.220 3.014 2.314 3.292 0.072 15 0 "[ . 1 . 2]" 1
548 1 69 ASN HA 1 93 ILE H . . 4.590 3.413 2.904 3.852 . 0 0 "[ . 1 . 2]" 1
549 1 69 ASN HA 1 93 ILE HB . . 4.190 1.876 1.711 1.996 . 0 0 "[ . 1 . 2]" 1
550 1 69 ASN HD21 1 93 ILE HB . . 4.860 4.675 3.489 4.943 0.083 15 0 "[ . 1 . 2]" 1
551 1 70 GLY H 1 71 ILE H . . 3.770 2.314 1.671 2.857 . 0 0 "[ . 1 . 2]" 1
552 1 70 GLY H 1 93 ILE HB . . 4.070 4.098 3.855 4.199 0.129 18 0 "[ . 1 . 2]" 1
553 1 71 ILE H 1 71 ILE HB . . 3.240 2.498 2.378 2.576 . 0 0 "[ . 1 . 2]" 1
554 1 71 ILE H 1 71 ILE HG12 . . 3.840 3.650 3.546 3.806 . 0 0 "[ . 1 . 2]" 1
555 1 71 ILE H 1 72 GLU H . . 4.280 4.320 4.296 4.345 0.065 15 0 "[ . 1 . 2]" 1
556 1 71 ILE HA 1 71 ILE HG12 . . 4.110 2.545 2.479 2.627 . 0 0 "[ . 1 . 2]" 1
557 1 71 ILE HA 1 72 GLU H . . 2.790 2.095 2.015 2.147 . 0 0 "[ . 1 . 2]" 1
558 1 71 ILE HB 1 72 GLU H . . 5.100 4.136 4.083 4.169 . 0 0 "[ . 1 . 2]" 1
559 1 71 ILE HB 1 84 MET ME . . 3.310 2.987 2.398 3.322 0.012 19 0 "[ . 1 . 2]" 1
560 1 72 GLU H 1 72 GLU HB2 . . 3.870 3.568 3.514 3.634 . 0 0 "[ . 1 . 2]" 1
561 1 72 GLU H 1 72 GLU QB . . 3.160 2.451 2.396 2.523 . 0 0 "[ . 1 . 2]" 1
562 1 72 GLU H 1 72 GLU HB3 . . 3.870 2.497 2.437 2.576 . 0 0 "[ . 1 . 2]" 1
563 1 72 GLU H 1 72 GLU HG2 . . 3.910 2.087 1.906 2.284 . 0 0 "[ . 1 . 2]" 1
564 1 72 GLU H 1 72 GLU QG . . 3.330 2.068 1.894 2.256 . 0 0 "[ . 1 . 2]" 1
565 1 72 GLU H 1 72 GLU HG3 . . 3.910 3.361 3.226 3.510 . 0 0 "[ . 1 . 2]" 1
566 1 72 GLU H 1 73 VAL H . . 4.530 4.552 4.528 4.581 0.051 9 0 "[ . 1 . 2]" 1
567 1 72 GLU HA 1 73 VAL H . . 3.150 2.155 2.088 2.203 . 0 0 "[ . 1 . 2]" 1
568 1 72 GLU HA 1 74 ALA H . . 4.060 3.442 3.180 3.708 . 0 0 "[ . 1 . 2]" 1
569 1 72 GLU QB 1 72 GLU QG . . 2.350 2.080 2.068 2.095 . 0 0 "[ . 1 . 2]" 1
570 1 72 GLU QB 1 73 VAL H . . 3.540 2.899 2.575 3.203 . 0 0 "[ . 1 . 2]" 1
571 1 72 GLU QB 1 74 ALA H . . 3.430 2.571 2.430 2.707 . 0 0 "[ . 1 . 2]" 1
572 1 72 GLU QB 1 74 ALA MB . . 4.260 3.102 2.661 3.405 . 0 0 "[ . 1 . 2]" 1
573 1 72 GLU HB2 1 73 VAL H . . 4.250 2.974 2.616 3.319 . 0 0 "[ . 1 . 2]" 1
574 1 72 GLU HB2 1 74 ALA MB . . 4.910 3.160 2.703 3.472 . 0 0 "[ . 1 . 2]" 1
575 1 72 GLU HB3 1 73 VAL H . . 4.250 4.032 3.832 4.213 . 0 0 "[ . 1 . 2]" 1
576 1 72 GLU HB3 1 74 ALA MB . . 4.910 4.518 3.982 4.909 . 0 0 "[ . 1 . 2]" 1
577 1 72 GLU QG 1 73 VAL H . . 4.880 3.878 3.618 4.124 . 0 0 "[ . 1 . 2]" 1
578 1 72 GLU QG 1 74 ALA H . . 4.260 3.597 3.410 3.772 . 0 0 "[ . 1 . 2]" 1
579 1 72 GLU QG 1 84 MET ME . . 4.070 4.126 3.927 4.172 0.102 17 0 "[ . 1 . 2]" 1
580 1 72 GLU HG2 1 74 ALA H . . 4.950 4.973 4.764 5.042 0.092 11 0 "[ . 1 . 2]" 1
581 1 72 GLU HG2 1 84 MET ME . . 4.640 4.702 4.659 4.751 0.111 19 0 "[ . 1 . 2]" 1
582 1 72 GLU HG3 1 74 ALA H . . 4.950 3.691 3.493 3.895 . 0 0 "[ . 1 . 2]" 1
583 1 72 GLU HG3 1 84 MET ME . . 4.640 4.574 4.210 4.688 0.048 12 0 "[ . 1 . 2]" 1
584 1 73 VAL H 1 74 ALA H . . 3.170 1.992 1.859 2.213 . 0 0 "[ . 1 . 2]" 1
585 1 73 VAL H 1 74 ALA MB . . 4.360 3.579 3.464 3.722 . 0 0 "[ . 1 . 2]" 1
586 1 73 VAL HA 1 75 GLY H . . 4.800 4.829 4.693 4.858 0.058 17 0 "[ . 1 . 2]" 1
587 1 73 VAL HA 1 76 LYS H . . 5.120 3.568 3.360 3.814 . 0 0 "[ . 1 . 2]" 1
588 1 73 VAL HA 1 76 LYS HB2 . . 4.320 2.965 2.758 3.343 . 0 0 "[ . 1 . 2]" 1
589 1 73 VAL HA 1 76 LYS HD2 . . 4.780 3.970 1.984 4.665 . 0 0 "[ . 1 . 2]" 1
590 1 73 VAL HA 1 76 LYS QD . . 4.040 3.610 1.977 4.078 0.038 17 0 "[ . 1 . 2]" 1
591 1 73 VAL HA 1 76 LYS HD3 . . 4.780 4.378 3.707 4.627 . 0 0 "[ . 1 . 2]" 1
592 1 73 VAL HA 1 76 LYS QE . . 4.560 3.215 2.702 3.506 . 0 0 "[ . 1 . 2]" 1
593 1 73 VAL HA 1 76 LYS QG . . 4.240 2.068 1.737 2.711 . 0 0 "[ . 1 . 2]" 1
594 1 73 VAL HA 1 84 MET ME . . 3.970 3.206 2.856 3.638 . 0 0 "[ . 1 . 2]" 1
595 1 73 VAL HB 1 74 ALA H . . 4.980 4.283 4.218 4.365 . 0 0 "[ . 1 . 2]" 1
596 1 73 VAL HB 1 76 LYS H . . 4.850 4.426 4.157 4.742 . 0 0 "[ . 1 . 2]" 1
597 1 73 VAL HB 1 76 LYS QG . . 4.910 3.721 3.094 4.356 . 0 0 "[ . 1 . 2]" 1
598 1 74 ALA H 1 74 ALA MB . . 2.950 2.261 2.207 2.301 . 0 0 "[ . 1 . 2]" 1
599 1 74 ALA H 1 75 GLY H . . 4.430 4.169 4.089 4.204 . 0 0 "[ . 1 . 2]" 1
600 1 74 ALA H 1 76 LYS H . . 4.520 4.238 4.094 4.537 0.017 19 0 "[ . 1 . 2]" 1
601 1 74 ALA HA 1 75 GLY H . . 2.700 2.160 2.089 2.200 . 0 0 "[ . 1 . 2]" 1
602 1 74 ALA HA 1 76 LYS H . . 4.890 3.651 3.552 3.846 . 0 0 "[ . 1 . 2]" 1
603 1 74 ALA MB 1 75 GLY H . . 3.680 3.489 3.386 3.529 . 0 0 "[ . 1 . 2]" 1
604 1 75 GLY H 1 76 LYS H . . 3.460 2.198 2.097 2.313 . 0 0 "[ . 1 . 2]" 1
605 1 76 LYS H 1 76 LYS HB2 . . 3.450 2.600 2.532 2.708 . 0 0 "[ . 1 . 2]" 1
606 1 76 LYS H 1 76 LYS HB3 . . 4.080 3.623 3.555 3.707 . 0 0 "[ . 1 . 2]" 1
607 1 76 LYS H 1 76 LYS HD2 . . 4.810 4.377 3.966 4.548 . 0 0 "[ . 1 . 2]" 1
608 1 76 LYS H 1 76 LYS QD . . 4.150 3.347 3.088 3.882 . 0 0 "[ . 1 . 2]" 1
609 1 76 LYS H 1 76 LYS HD3 . . 4.810 3.589 3.157 4.756 . 0 0 "[ . 1 . 2]" 1
610 1 76 LYS H 1 76 LYS QE . . 3.680 3.789 3.711 3.896 0.216 9 0 "[ . 1 . 2]" 1
611 1 76 LYS H 1 76 LYS QG . . 3.620 2.101 1.888 2.226 . 0 0 "[ . 1 . 2]" 1
612 1 76 LYS H 1 77 THR H . . 4.680 4.608 4.546 4.668 . 0 0 "[ . 1 . 2]" 1
613 1 76 LYS HA 1 76 LYS HD2 . . 5.000 3.401 2.958 4.665 . 0 0 "[ . 1 . 2]" 1
614 1 76 LYS HA 1 76 LYS HD3 . . 5.000 2.560 2.031 4.218 . 0 0 "[ . 1 . 2]" 1
615 1 76 LYS HA 1 76 LYS QG . . 3.900 2.950 2.360 3.153 . 0 0 "[ . 1 . 2]" 1
616 1 76 LYS HA 1 77 THR H . . 3.320 2.499 2.332 2.608 . 0 0 "[ . 1 . 2]" 1
617 1 76 LYS HB2 1 77 THR H . . 3.600 3.397 3.138 3.636 0.036 8 0 "[ . 1 . 2]" 1
618 1 76 LYS HB2 1 80 GLN HB2 . . 4.910 3.623 3.140 4.231 . 0 0 "[ . 1 . 2]" 1
619 1 76 LYS HB2 1 81 VAL HA . . 4.580 4.391 4.136 4.590 0.010 2 0 "[ . 1 . 2]" 1
620 1 76 LYS HB3 1 77 THR H . . 3.610 2.452 2.105 2.804 . 0 0 "[ . 1 . 2]" 1
621 1 76 LYS HB3 1 80 GLN HB2 . . 4.840 2.379 2.112 3.117 . 0 0 "[ . 1 . 2]" 1
622 1 76 LYS QD 1 77 THR H . . 4.480 3.977 3.710 4.512 0.032 9 0 "[ . 1 . 2]" 1
623 1 76 LYS QD 1 84 MET ME . . 3.690 3.342 2.292 3.785 0.095 14 0 "[ . 1 . 2]" 1
624 1 76 LYS QE 1 84 MET ME . . 3.560 3.154 2.521 3.628 0.068 18 0 "[ . 1 . 2]" 1
625 1 76 LYS QG 1 77 THR H . . 4.980 4.288 3.921 4.597 . 0 0 "[ . 1 . 2]" 1
626 1 76 LYS QG 1 80 GLN HB2 . . 5.170 4.293 3.873 4.955 . 0 0 "[ . 1 . 2]" 1
627 1 76 LYS QG 1 80 GLN HB3 . . 4.910 3.818 3.398 4.465 . 0 0 "[ . 1 . 2]" 1
628 1 76 LYS QG 1 80 GLN QG . . 4.920 4.710 3.120 4.999 0.079 1 0 "[ . 1 . 2]" 1
629 1 76 LYS QG 1 84 MET ME . . 4.500 2.907 2.191 4.302 . 0 0 "[ . 1 . 2]" 1
630 1 77 THR H 1 80 GLN H . . 4.310 3.482 3.216 3.865 . 0 0 "[ . 1 . 2]" 1
631 1 77 THR H 1 80 GLN HA . . 4.940 5.008 4.879 5.073 0.133 18 0 "[ . 1 . 2]" 1
632 1 77 THR H 1 80 GLN HB2 . . 3.300 2.196 2.082 2.546 . 0 0 "[ . 1 . 2]" 1
633 1 77 THR H 1 80 GLN HB3 . . 4.590 3.572 2.857 3.813 . 0 0 "[ . 1 . 2]" 1
634 1 77 THR H 1 80 GLN QG . . 4.770 3.250 1.886 3.613 . 0 0 "[ . 1 . 2]" 1
635 1 77 THR HA 1 78 LEU H . . 3.090 2.506 2.400 2.748 . 0 0 "[ . 1 . 2]" 1
636 1 77 THR HA 1 79 ASP H . . 4.480 4.332 4.124 4.500 0.020 16 0 "[ . 1 . 2]" 1
637 1 77 THR HB 1 78 LEU H . . 3.420 2.355 2.198 2.573 . 0 0 "[ . 1 . 2]" 1
638 1 77 THR HB 1 79 ASP H . . 3.730 2.785 2.588 2.993 . 0 0 "[ . 1 . 2]" 1
639 1 77 THR HB 1 80 GLN H . . 4.820 3.622 3.195 3.929 . 0 0 "[ . 1 . 2]" 1
640 1 77 THR HB 1 80 GLN HB2 . . 5.010 4.595 3.709 5.040 0.030 14 0 "[ . 1 . 2]" 1
641 1 78 LEU H 1 78 LEU QB . . 2.970 2.147 2.076 2.413 . 0 0 "[ . 1 . 2]" 1
642 1 78 LEU H 1 78 LEU HG . . 4.350 4.270 2.413 4.453 0.103 19 0 "[ . 1 . 2]" 1
643 1 78 LEU H 1 79 ASP H . . 3.500 2.593 2.453 2.741 . 0 0 "[ . 1 . 2]" 1
644 1 78 LEU H 1 79 ASP QB . . 4.510 4.394 4.215 4.503 . 0 0 "[ . 1 . 2]" 1
645 1 78 LEU HA 1 81 VAL H . . 3.350 3.390 3.307 3.430 0.080 9 0 "[ . 1 . 2]" 1
646 1 78 LEU QB 1 78 LEU HG . . 2.780 2.208 2.107 2.333 . 0 0 "[ . 1 . 2]" 1
647 1 78 LEU QB 1 79 ASP H . . 3.290 2.638 2.494 2.838 . 0 0 "[ . 1 . 2]" 1
648 1 79 ASP H 1 79 ASP HB2 . . 3.710 2.555 2.409 2.716 . 0 0 "[ . 1 . 2]" 1
649 1 79 ASP H 1 79 ASP QB . . 3.040 2.297 2.213 2.516 . 0 0 "[ . 1 . 2]" 1
650 1 79 ASP H 1 79 ASP HB3 . . 3.710 2.663 2.419 3.652 . 0 0 "[ . 1 . 2]" 1
651 1 79 ASP H 1 80 GLN H . . 3.540 2.713 2.606 2.811 . 0 0 "[ . 1 . 2]" 1
652 1 79 ASP QB 1 80 GLN H . . 2.880 2.464 2.221 2.890 0.010 14 0 "[ . 1 . 2]" 1
653 1 80 GLN H 1 80 GLN HB3 . . 3.730 3.542 2.753 3.699 . 0 0 "[ . 1 . 2]" 1
654 1 80 GLN H 1 80 GLN QG . . 4.470 3.072 2.346 3.978 . 0 0 "[ . 1 . 2]" 1
655 1 80 GLN H 1 81 VAL H . . 3.330 2.787 2.540 2.888 . 0 0 "[ . 1 . 2]" 1
656 1 80 GLN HA 1 80 GLN QG . . 3.720 2.431 2.341 3.191 . 0 0 "[ . 1 . 2]" 1
657 1 80 GLN HA 1 82 THR H . . 5.010 4.358 4.118 4.598 . 0 0 "[ . 1 . 2]" 1
658 1 80 GLN HA 1 83 ASP H . . 4.060 3.736 3.434 4.078 0.018 19 0 "[ . 1 . 2]" 1
659 1 80 GLN HA 1 83 ASP HB2 . . 4.440 3.722 3.167 4.139 . 0 0 "[ . 1 . 2]" 1
660 1 80 GLN HA 1 83 ASP QB . . 3.600 2.996 2.508 3.320 . 0 0 "[ . 1 . 2]" 1
661 1 80 GLN HA 1 83 ASP HB3 . . 4.440 3.167 2.629 3.519 . 0 0 "[ . 1 . 2]" 1
662 1 80 GLN HB2 1 81 VAL H . . 3.680 2.818 2.414 3.332 . 0 0 "[ . 1 . 2]" 1
663 1 81 VAL H 1 81 VAL HB . . 3.980 3.653 3.628 3.702 . 0 0 "[ . 1 . 2]" 1
664 1 81 VAL H 1 82 THR H . . 3.370 2.558 2.422 2.649 . 0 0 "[ . 1 . 2]" 1
665 1 81 VAL HA 1 84 MET H . . 3.880 3.347 3.051 3.488 . 0 0 "[ . 1 . 2]" 1
666 1 81 VAL HA 1 84 MET HB2 . . 4.180 3.424 3.150 3.764 . 0 0 "[ . 1 . 2]" 1
667 1 81 VAL HA 1 84 MET HB3 . . 4.690 4.572 4.219 4.757 0.067 11 0 "[ . 1 . 2]" 1
668 1 81 VAL HA 1 84 MET ME . . 4.080 2.805 2.094 3.892 . 0 0 "[ . 1 . 2]" 1
669 1 81 VAL HA 1 84 MET HG2 . . 4.430 3.098 2.157 3.771 . 0 0 "[ . 1 . 2]" 1
670 1 81 VAL HA 1 84 MET HG3 . . 4.720 2.155 1.888 2.676 . 0 0 "[ . 1 . 2]" 1
671 1 81 VAL HB 1 82 THR H . . 4.140 3.941 3.855 3.994 . 0 0 "[ . 1 . 2]" 1
672 1 82 THR H 1 82 THR HB . . 3.240 2.614 2.523 2.706 . 0 0 "[ . 1 . 2]" 1
673 1 82 THR H 1 83 ASP H . . 3.480 2.418 2.334 2.608 . 0 0 "[ . 1 . 2]" 1
674 1 82 THR H 1 84 MET HG2 . . 5.170 5.200 4.728 5.384 0.214 3 0 "[ . 1 . 2]" 1
675 1 82 THR H 1 85 MET ME . . 4.760 4.404 4.277 4.571 . 0 0 "[ . 1 . 2]" 1
676 1 82 THR HA 1 85 MET H . . 4.090 3.106 2.949 3.320 . 0 0 "[ . 1 . 2]" 1
677 1 82 THR HA 1 85 MET HB2 . . 4.510 2.512 2.400 2.715 . 0 0 "[ . 1 . 2]" 1
678 1 82 THR HA 1 85 MET HB3 . . 4.770 4.137 4.053 4.371 . 0 0 "[ . 1 . 2]" 1
679 1 82 THR HA 1 85 MET ME . . 4.130 3.417 3.319 3.518 . 0 0 "[ . 1 . 2]" 1
680 1 82 THR HA 1 85 MET HG2 . . 4.990 4.362 4.262 4.491 . 0 0 "[ . 1 . 2]" 1
681 1 82 THR HB 1 83 ASP H . . 3.030 2.750 2.653 2.814 . 0 0 "[ . 1 . 2]" 1
682 1 83 ASP H 1 83 ASP HB2 . . 3.630 2.550 2.468 2.619 . 0 0 "[ . 1 . 2]" 1
683 1 83 ASP H 1 83 ASP QB . . 2.990 2.265 2.230 2.317 . 0 0 "[ . 1 . 2]" 1
684 1 83 ASP H 1 83 ASP HB3 . . 3.630 2.538 2.425 2.623 . 0 0 "[ . 1 . 2]" 1
685 1 83 ASP H 1 84 MET H . . 3.480 2.574 2.401 2.726 . 0 0 "[ . 1 . 2]" 1
686 1 83 ASP HA 1 85 MET H . . 4.650 4.408 4.229 4.594 . 0 0 "[ . 1 . 2]" 1
687 1 83 ASP HA 1 86 VAL H . . 4.260 3.409 3.195 3.653 . 0 0 "[ . 1 . 2]" 1
688 1 83 ASP HA 1 86 VAL HB . . 3.720 2.788 2.592 2.951 . 0 0 "[ . 1 . 2]" 1
689 1 83 ASP HA 1 87 ALA H . . 4.430 4.086 3.931 4.245 . 0 0 "[ . 1 . 2]" 1
690 1 83 ASP QB 1 84 MET H . . 3.110 2.673 2.479 2.845 . 0 0 "[ . 1 . 2]" 1
691 1 83 ASP QB 1 87 ALA MB . . 4.800 4.845 4.666 4.903 0.103 2 0 "[ . 1 . 2]" 1
692 1 84 MET H 1 84 MET HB2 . . 3.390 2.952 2.738 3.119 . 0 0 "[ . 1 . 2]" 1
693 1 84 MET H 1 84 MET HB3 . . 3.870 3.634 3.602 3.659 . 0 0 "[ . 1 . 2]" 1
694 1 84 MET H 1 84 MET ME . . 4.940 4.333 4.202 4.678 . 0 0 "[ . 1 . 2]" 1
695 1 84 MET H 1 84 MET HG2 . . 3.830 2.385 2.129 2.704 . 0 0 "[ . 1 . 2]" 1
696 1 84 MET H 1 84 MET HG3 . . 3.710 2.697 1.841 3.626 . 0 0 "[ . 1 . 2]" 1
697 1 84 MET H 1 85 MET H . . 3.320 2.521 2.396 2.666 . 0 0 "[ . 1 . 2]" 1
698 1 84 MET HA 1 84 MET HG2 . . 4.010 2.945 2.726 3.185 . 0 0 "[ . 1 . 2]" 1
699 1 84 MET HA 1 84 MET HG3 . . 3.690 3.701 3.403 3.845 0.155 5 0 "[ . 1 . 2]" 1
700 1 84 MET HA 1 86 VAL H . . 4.680 4.431 4.200 4.643 . 0 0 "[ . 1 . 2]" 1
701 1 84 MET HA 1 87 ALA MB . . 3.580 2.699 2.313 2.918 . 0 0 "[ . 1 . 2]" 1
702 1 84 MET HA 1 88 ASN HD21 . . 4.510 3.758 3.276 4.300 . 0 0 "[ . 1 . 2]" 1
703 1 84 MET HB2 1 84 MET ME . . 3.850 3.539 2.571 4.030 0.180 7 0 "[ . 1 . 2]" 1
704 1 84 MET HB2 1 85 MET H . . 4.530 2.583 2.170 3.034 . 0 0 "[ . 1 . 2]" 1
705 1 84 MET HB2 1 88 ASN HD21 . . 3.490 3.902 3.530 4.020 0.530 18 1 "[ . 1 . + 2]" 1
706 1 84 MET HB3 1 85 MET H . . 4.170 3.769 3.339 4.122 . 0 0 "[ . 1 . 2]" 1
707 1 84 MET HB3 1 88 ASN HD21 . . 4.520 2.734 2.277 3.249 . 0 0 "[ . 1 . 2]" 1
708 1 84 MET ME 1 84 MET HG3 . . 3.590 2.458 2.182 3.447 . 0 0 "[ . 1 . 2]" 1
709 1 85 MET H 1 85 MET HB2 . . 3.100 2.492 2.397 2.596 . 0 0 "[ . 1 . 2]" 1
710 1 85 MET H 1 85 MET HB3 . . 3.790 3.607 3.570 3.650 . 0 0 "[ . 1 . 2]" 1
711 1 85 MET H 1 85 MET HG2 . . 3.530 3.384 3.310 3.455 . 0 0 "[ . 1 . 2]" 1
712 1 85 MET H 1 85 MET HG3 . . 4.380 2.133 2.021 2.231 . 0 0 "[ . 1 . 2]" 1
713 1 85 MET H 1 86 VAL H . . 3.290 2.718 2.597 2.825 . 0 0 "[ . 1 . 2]" 1
714 1 85 MET H 1 88 ASN H . . 4.690 4.585 4.466 4.722 0.032 19 0 "[ . 1 . 2]" 1
715 1 85 MET HA 1 85 MET HG3 . . 4.140 3.024 2.986 3.080 . 0 0 "[ . 1 . 2]" 1
716 1 85 MET HA 1 88 ASN HB2 . . 4.890 2.589 2.218 2.963 . 0 0 "[ . 1 . 2]" 1
717 1 85 MET HA 1 88 ASN HB3 . . 5.030 4.231 3.810 4.681 . 0 0 "[ . 1 . 2]" 1
718 1 85 MET HB2 1 85 MET ME . . 3.750 3.824 3.787 3.851 0.101 4 0 "[ . 1 . 2]" 1
719 1 85 MET HB2 1 85 MET HG2 . . 3.000 2.960 2.943 2.968 . 0 0 "[ . 1 . 2]" 1
720 1 85 MET HB2 1 86 VAL H . . 3.840 2.743 2.573 2.873 . 0 0 "[ . 1 . 2]" 1
721 1 85 MET HB3 1 86 VAL H . . 4.370 3.735 3.573 3.837 . 0 0 "[ . 1 . 2]" 1
722 1 85 MET HB3 1 92 LEU HG . . 4.270 3.695 3.224 4.325 0.055 20 0 "[ . 1 . 2]" 1
723 1 86 VAL H 1 86 VAL HB . . 3.300 2.486 2.441 2.526 . 0 0 "[ . 1 . 2]" 1
724 1 86 VAL HA 1 89 SER H . . 4.850 3.956 3.707 4.361 . 0 0 "[ . 1 . 2]" 1
725 1 86 VAL HB 1 87 ALA H . . 3.620 2.655 2.424 2.828 . 0 0 "[ . 1 . 2]" 1
726 1 87 ALA H 1 87 ALA MB . . 3.060 2.231 2.209 2.273 . 0 0 "[ . 1 . 2]" 1
727 1 87 ALA H 1 88 ASN H . . 3.500 2.504 2.383 2.614 . 0 0 "[ . 1 . 2]" 1
728 1 87 ALA H 1 89 SER H . . 4.880 4.155 4.050 4.405 . 0 0 "[ . 1 . 2]" 1
729 1 87 ALA HA 1 89 SER H . . 3.490 3.558 3.514 3.604 0.114 18 0 "[ . 1 . 2]" 1
730 1 87 ALA MB 1 88 ASN H . . 3.650 2.646 2.445 3.016 . 0 0 "[ . 1 . 2]" 1
731 1 87 ALA MB 1 88 ASN HB2 . . 5.170 4.393 4.202 4.634 . 0 0 "[ . 1 . 2]" 1
732 1 87 ALA MB 1 88 ASN HD21 . . 4.520 3.980 3.426 4.295 . 0 0 "[ . 1 . 2]" 1
733 1 88 ASN H 1 88 ASN HB2 . . 3.860 2.447 2.280 2.676 . 0 0 "[ . 1 . 2]" 1
734 1 88 ASN H 1 88 ASN HB3 . . 4.210 3.626 3.535 3.757 . 0 0 "[ . 1 . 2]" 1
735 1 88 ASN H 1 88 ASN HD21 . . 3.940 4.124 3.947 4.185 0.245 10 0 "[ . 1 . 2]" 1
736 1 88 ASN H 1 89 SER H . . 3.340 2.796 2.504 2.930 . 0 0 "[ . 1 . 2]" 1
737 1 88 ASN HB2 1 92 LEU HA . . 4.420 3.146 2.725 3.481 . 0 0 "[ . 1 . 2]" 1
738 1 88 ASN HB3 1 89 SER H . . 4.790 4.423 4.371 4.475 . 0 0 "[ . 1 . 2]" 1
739 1 88 ASN HB3 1 91 ASN QB . . 5.210 4.985 4.193 5.303 0.093 20 0 "[ . 1 . 2]" 1
740 1 88 ASN HB3 1 92 LEU HA . . 5.230 2.324 2.071 2.643 . 0 0 "[ . 1 . 2]" 1
741 1 88 ASN HB3 1 92 LEU HB3 . . 5.410 5.102 4.848 5.473 0.063 14 0 "[ . 1 . 2]" 1
742 1 88 ASN HB3 1 92 LEU HG . . 4.400 3.698 3.061 4.375 . 0 0 "[ . 1 . 2]" 1
743 1 89 SER H 1 90 SER H . . 4.050 2.736 2.545 2.902 . 0 0 "[ . 1 . 2]" 1
744 1 89 SER HA 1 91 ASN H . . 4.270 3.825 3.515 4.127 . 0 0 "[ . 1 . 2]" 1
745 1 89 SER HA 1 92 LEU H . . 4.770 4.555 3.959 4.794 0.024 16 0 "[ . 1 . 2]" 1
746 1 89 SER HA 1 92 LEU HB2 . . 4.590 3.646 2.559 4.699 0.109 20 0 "[ . 1 . 2]" 1
747 1 89 SER HA 1 92 LEU HG . . 4.210 3.814 2.652 4.289 0.079 17 0 "[ . 1 . 2]" 1
748 1 90 SER H 1 90 SER QB . . 3.490 2.505 2.217 2.757 . 0 0 "[ . 1 . 2]" 1
749 1 90 SER H 1 91 ASN H . . 3.510 2.552 2.428 2.658 . 0 0 "[ . 1 . 2]" 1
750 1 90 SER QB 1 91 ASN H . . 4.100 3.119 2.587 3.730 . 0 0 "[ . 1 . 2]" 1
751 1 91 ASN H 1 91 ASN QB . . 3.670 3.204 2.845 3.475 . 0 0 "[ . 1 . 2]" 1
752 1 91 ASN H 1 92 LEU H . . 3.610 3.441 3.193 3.627 0.017 3 0 "[ . 1 . 2]" 1
753 1 91 ASN HA 1 92 LEU H . . 3.380 2.185 2.042 2.395 . 0 0 "[ . 1 . 2]" 1
754 1 91 ASN QB 1 92 LEU H . . 4.320 3.711 3.395 4.107 . 0 0 "[ . 1 . 2]" 1
755 1 92 LEU H 1 92 LEU HB2 . . 3.400 2.256 2.046 2.369 . 0 0 "[ . 1 . 2]" 1
756 1 92 LEU H 1 92 LEU HB3 . . 3.510 2.844 2.637 3.475 . 0 0 "[ . 1 . 2]" 1
757 1 92 LEU H 1 92 LEU HG . . 4.240 4.113 3.243 4.340 0.100 8 0 "[ . 1 . 2]" 1
758 1 92 LEU H 1 93 ILE H . . 4.450 4.227 4.138 4.424 . 0 0 "[ . 1 . 2]" 1
759 1 92 LEU HA 1 93 ILE H . . 3.250 2.215 2.151 2.299 . 0 0 "[ . 1 . 2]" 1
760 1 92 LEU HG 1 93 ILE H . . 5.210 4.528 4.083 5.221 0.011 11 0 "[ . 1 . 2]" 1
761 1 93 ILE H 1 93 ILE HB . . 3.380 2.539 2.455 2.631 . 0 0 "[ . 1 . 2]" 1
762 1 93 ILE H 1 93 ILE HG12 . . 3.780 3.752 3.596 3.856 0.076 11 0 "[ . 1 . 2]" 1
763 1 93 ILE HA 1 93 ILE HG12 . . 3.990 2.557 2.443 2.654 . 0 0 "[ . 1 . 2]" 1
764 1 93 ILE HA 1 94 ILE H . . 3.300 2.154 2.096 2.214 . 0 0 "[ . 1 . 2]" 1
765 1 93 ILE HG12 1 94 ILE H . . 4.620 4.540 4.358 4.658 0.038 15 0 "[ . 1 . 2]" 1
766 1 94 ILE H 1 94 ILE HB . . 4.070 2.624 2.530 2.771 . 0 0 "[ . 1 . 2]" 1
767 1 94 ILE H 1 94 ILE HG12 . . 4.530 4.349 4.167 4.499 . 0 0 "[ . 1 . 2]" 1
768 1 94 ILE H 1 95 THR H . . 4.520 4.318 4.239 4.367 . 0 0 "[ . 1 . 2]" 1
769 1 94 ILE HA 1 95 THR H . . 3.100 2.041 2.007 2.105 . 0 0 "[ . 1 . 2]" 1
770 1 94 ILE HB 1 95 THR H . . 4.190 4.199 4.127 4.252 0.062 19 0 "[ . 1 . 2]" 1
771 1 95 THR H 1 95 THR HB . . 3.570 2.497 2.429 2.567 . 0 0 "[ . 1 . 2]" 1
772 1 95 THR HA 1 96 VAL H . . 3.140 2.153 2.116 2.188 . 0 0 "[ . 1 . 2]" 1
773 1 96 VAL HA 1 97 LYS H . . 3.220 2.265 2.113 2.361 . 0 0 "[ . 1 . 2]" 1
774 1 96 VAL HB 1 97 LYS H . . 3.340 2.266 2.048 2.502 . 0 0 "[ . 1 . 2]" 1
775 1 97 LYS H 1 97 LYS HB2 . . 4.090 3.400 2.388 3.826 . 0 0 "[ . 1 . 2]" 1
776 1 97 LYS H 1 97 LYS QB . . 3.450 2.964 2.354 3.326 . 0 0 "[ . 1 . 2]" 1
777 1 97 LYS H 1 97 LYS HB3 . . 4.090 3.463 3.270 3.715 . 0 0 "[ . 1 . 2]" 1
778 1 97 LYS H 1 97 LYS QG . . 5.060 2.405 1.978 3.013 . 0 0 "[ . 1 . 2]" 1
779 1 97 LYS HA 1 97 LYS QG . . 3.500 3.144 2.537 3.465 . 0 0 "[ . 1 . 2]" 1
780 1 97 LYS HA 1 98 PRO HD2 . . 3.600 2.427 1.991 2.922 . 0 0 "[ . 1 . 2]" 1
781 1 97 LYS HA 1 98 PRO QD . . 3.100 1.953 1.882 2.143 . 0 0 "[ . 1 . 2]" 1
782 1 97 LYS HA 1 98 PRO HD3 . . 3.600 2.171 1.905 2.450 . 0 0 "[ . 1 . 2]" 1
783 1 97 LYS HA 1 98 PRO HG3 . . 5.260 4.266 3.990 4.560 . 0 0 "[ . 1 . 2]" 1
784 1 97 LYS QB 1 97 LYS QD . . 3.180 2.405 2.258 2.844 . 0 0 "[ . 1 . 2]" 1
785 1 97 LYS QB 1 97 LYS QE . . 3.990 1.913 1.705 2.118 . 0 0 "[ . 1 . 2]" 1
786 1 97 LYS QB 1 97 LYS QG . . 2.350 2.050 1.987 2.078 . 0 0 "[ . 1 . 2]" 1
787 1 97 LYS QB 1 98 PRO QD . . 3.830 2.744 2.382 2.940 . 0 0 "[ . 1 . 2]" 1
788 1 97 LYS QE 1 97 LYS HG2 . . 3.850 3.117 2.338 3.516 . 0 0 "[ . 1 . 2]" 1
789 1 97 LYS QE 1 97 LYS QG . . 3.300 2.394 2.232 2.792 . 0 0 "[ . 1 . 2]" 1
790 1 97 LYS QE 1 97 LYS HG3 . . 3.850 2.661 2.271 3.330 . 0 0 "[ . 1 . 2]" 1
791 1 97 LYS QE 1 98 PRO HA . . 5.010 5.043 4.614 5.277 0.267 2 0 "[ . 1 . 2]" 1
792 1 97 LYS QE 1 98 PRO QD . . 4.530 4.127 3.695 4.577 0.047 2 0 "[ . 1 . 2]" 1
793 1 97 LYS QG 1 98 PRO QD . . 4.530 4.097 3.530 4.354 . 0 0 "[ . 1 . 2]" 1
794 1 98 PRO HA 1 99 ALA H . . 2.970 2.210 2.123 2.321 . 0 0 "[ . 1 . 2]" 1
795 1 98 PRO HA 1 100 ASN H . . 4.350 3.919 3.289 4.391 0.041 5 0 "[ . 1 . 2]" 1
796 1 98 PRO HB2 1 99 ALA H . . 3.980 3.450 3.076 3.880 . 0 0 "[ . 1 . 2]" 1
797 1 98 PRO HB2 1 100 ASN H . . 4.640 2.939 2.562 3.647 . 0 0 "[ . 1 . 2]" 1
798 1 98 PRO HB3 1 99 ALA H . . 4.210 3.599 3.117 3.915 . 0 0 "[ . 1 . 2]" 1
799 1 98 PRO HB3 1 100 ASN H . . 4.430 3.904 3.115 4.432 0.002 6 0 "[ . 1 . 2]" 1
800 1 99 ALA H 1 99 ALA MB . . 3.120 2.247 2.207 2.282 . 0 0 "[ . 1 . 2]" 1
801 1 99 ALA H 1 100 ASN H . . 3.920 2.579 2.338 2.971 . 0 0 "[ . 1 . 2]" 1
802 1 99 ALA HA 1 100 ASN H . . 3.310 3.375 3.175 3.435 0.125 12 0 "[ . 1 . 2]" 1
803 1 99 ALA MB 1 100 ASN H . . 3.670 2.570 1.978 3.155 . 0 0 "[ . 1 . 2]" 1
804 1 99 ALA MB 1 100 ASN QB . . 4.910 3.928 3.333 4.747 . 0 0 "[ . 1 . 2]" 1
805 1 99 ALA MB 1 101 GLN H . . 4.530 4.453 4.191 4.695 0.165 6 0 "[ . 1 . 2]" 1
806 1 100 ASN H 1 100 ASN QB . . 3.460 2.502 2.254 3.207 . 0 0 "[ . 1 . 2]" 1
807 1 100 ASN H 1 101 GLN H . . 3.780 2.988 2.234 3.793 0.013 3 0 "[ . 1 . 2]" 1
808 1 100 ASN QB 1 101 GLN H . . 4.110 3.592 2.891 3.998 . 0 0 "[ . 1 . 2]" 1
809 1 101 GLN H 1 101 GLN HB2 . . 4.110 3.269 2.476 4.019 . 0 0 "[ . 1 . 2]" 1
810 1 101 GLN H 1 101 GLN QB . . 3.360 2.887 2.345 3.379 0.019 14 0 "[ . 1 . 2]" 1
811 1 101 GLN H 1 101 GLN HB3 . . 4.110 3.518 2.527 4.127 0.017 14 0 "[ . 1 . 2]" 1
812 1 101 GLN H 1 101 GLN QG . . 3.960 2.865 1.825 4.019 0.059 5 0 "[ . 1 . 2]" 1
813 1 101 GLN HA 1 102 ARG H . . 3.220 2.337 2.049 2.842 . 0 0 "[ . 1 . 2]" 1
814 1 101 GLN QB 1 102 ARG QB . . 4.760 4.449 3.704 4.929 0.169 6 0 "[ . 1 . 2]" 1
815 1 101 GLN QG 1 102 ARG H . . 5.050 3.836 1.638 4.752 . 0 0 "[ . 1 . 2]" 1
816 1 102 ARG H 1 102 ARG HB2 . . 4.110 3.064 2.531 3.664 . 0 0 "[ . 1 . 2]" 1
817 1 102 ARG H 1 102 ARG QB . . 3.600 2.690 2.287 3.042 . 0 0 "[ . 1 . 2]" 1
818 1 102 ARG H 1 102 ARG HB3 . . 4.110 3.186 2.418 3.886 . 0 0 "[ . 1 . 2]" 1
819 1 102 ARG H 1 102 ARG QG . . 4.190 3.923 2.738 4.308 0.118 20 0 "[ . 1 . 2]" 1
820 1 102 ARG QB 1 102 ARG QG . . 2.440 2.046 1.977 2.094 . 0 0 "[ . 1 . 2]" 1
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