NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
588405 |
2mzy   |
25508 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mzy
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 1289
_Distance_constraint_stats_list.Viol_count 1618
_Distance_constraint_stats_list.Viol_total 1196.607
_Distance_constraint_stats_list.Viol_max 0.634
_Distance_constraint_stats_list.Viol_rms 0.0176
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0023
_Distance_constraint_stats_list.Viol_average_violations_only 0.0370
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.001 0.001 18 0 "[ . 1 . 2]"
1 2 ALA 0.153 0.033 9 0 "[ . 1 . 2]"
1 3 ARG 0.508 0.111 9 0 "[ . 1 . 2]"
1 4 MET 0.236 0.027 10 0 "[ . 1 . 2]"
1 5 ILE 4.205 0.107 17 0 "[ . 1 . 2]"
1 6 HIS 0.573 0.140 4 0 "[ . 1 . 2]"
1 7 CYS 6.462 0.321 11 0 "[ . 1 . 2]"
1 8 ALA 4.074 0.157 10 0 "[ . 1 . 2]"
1 9 LYS 0.464 0.060 16 0 "[ . 1 . 2]"
1 10 LEU 2.799 0.174 19 0 "[ . 1 . 2]"
1 11 GLY 1.372 0.082 2 0 "[ . 1 . 2]"
1 12 LYS 5.266 0.353 11 0 "[ . 1 . 2]"
1 13 GLU 3.570 0.353 11 0 "[ . 1 . 2]"
1 14 ALA 2.793 0.132 4 0 "[ . 1 . 2]"
1 15 GLU 0.862 0.103 10 0 "[ . 1 . 2]"
1 16 GLY 0.540 0.057 11 0 "[ . 1 . 2]"
1 17 LEU 2.834 0.270 10 0 "[ . 1 . 2]"
1 18 ASP 0.385 0.136 14 0 "[ . 1 . 2]"
1 19 PHE 1.924 0.238 19 0 "[ . 1 . 2]"
1 21 PRO 1.990 0.216 18 0 "[ . 1 . 2]"
1 22 LEU 0.561 0.255 19 0 "[ . 1 . 2]"
1 24 GLY 0.259 0.059 16 0 "[ . 1 . 2]"
1 25 GLU 0.505 0.222 18 0 "[ . 1 . 2]"
1 26 LEU 1.555 0.222 18 0 "[ . 1 . 2]"
1 27 GLY 0.612 0.155 13 0 "[ . 1 . 2]"
1 28 LYS 1.157 0.255 19 0 "[ . 1 . 2]"
1 29 ARG 1.139 0.216 18 0 "[ . 1 . 2]"
1 30 LEU 1.073 0.330 4 0 "[ . 1 . 2]"
1 31 TYR 2.923 0.270 10 0 "[ . 1 . 2]"
1 32 GLU 0.113 0.089 16 0 "[ . 1 . 2]"
1 33 SER 1.167 0.089 16 0 "[ . 1 . 2]"
1 34 VAL 0.391 0.079 10 0 "[ . 1 . 2]"
1 35 SER 0.576 0.152 15 0 "[ . 1 . 2]"
1 36 LYS 1.109 0.115 18 0 "[ . 1 . 2]"
1 37 GLN 1.165 0.107 17 0 "[ . 1 . 2]"
1 38 ALA 0.599 0.152 15 0 "[ . 1 . 2]"
1 39 TRP 0.165 0.014 16 0 "[ . 1 . 2]"
1 40 GLN 0.171 0.020 5 0 "[ . 1 . 2]"
1 41 ASP 0.070 0.020 16 0 "[ . 1 . 2]"
1 42 TRP 0.077 0.020 5 0 "[ . 1 . 2]"
1 43 LEU 0.201 0.015 3 0 "[ . 1 . 2]"
1 44 LYS 0.849 0.148 3 0 "[ . 1 . 2]"
1 45 GLN 1.133 0.145 5 0 "[ . 1 . 2]"
1 46 GLN 0.246 0.034 15 0 "[ . 1 . 2]"
1 47 THR 0.687 0.041 3 0 "[ . 1 . 2]"
1 48 MET 0.245 0.027 17 0 "[ . 1 . 2]"
1 49 LEU 3.215 0.181 8 0 "[ . 1 . 2]"
1 50 ILE 0.847 0.047 12 0 "[ . 1 . 2]"
1 51 ASN 0.473 0.030 8 0 "[ . 1 . 2]"
1 52 GLU 0.228 0.027 17 0 "[ . 1 . 2]"
1 53 ASN 0.055 0.012 15 0 "[ . 1 . 2]"
1 54 ARG 0.073 0.018 14 0 "[ . 1 . 2]"
1 55 LEU 0.727 0.037 17 0 "[ . 1 . 2]"
1 56 ASN 0.053 0.015 5 0 "[ . 1 . 2]"
1 57 MET 1.645 0.127 8 0 "[ . 1 . 2]"
1 58 ALA 0.516 0.124 7 0 "[ . 1 . 2]"
1 59 ASP 0.070 0.018 5 0 "[ . 1 . 2]"
1 60 PRO 0.092 0.018 8 0 "[ . 1 . 2]"
1 61 ARG 0.204 0.029 3 0 "[ . 1 . 2]"
1 62 ALA 0.328 0.028 15 0 "[ . 1 . 2]"
1 63 ARG 0.809 0.148 17 0 "[ . 1 . 2]"
1 64 GLN 0.273 0.037 17 0 "[ . 1 . 2]"
1 65 TYR 1.576 0.389 20 0 "[ . 1 . 2]"
1 66 LEU 4.096 0.406 17 0 "[ . 1 . 2]"
1 67 MET 0.742 0.191 20 0 "[ . 1 . 2]"
1 68 LYS 0.580 0.140 6 0 "[ . 1 . 2]"
1 69 GLN 0.498 0.030 20 0 "[ . 1 . 2]"
1 70 THR 1.115 0.076 17 0 "[ . 1 . 2]"
1 71 GLU 1.212 0.088 13 0 "[ . 1 . 2]"
1 72 LYS 9.151 0.634 12 1 "[ . 1 + . 2]"
1 73 TYR 0.221 0.082 15 0 "[ . 1 . 2]"
1 74 PHE 0.335 0.137 15 0 "[ . 1 . 2]"
1 75 PHE 2.087 0.092 15 0 "[ . 1 . 2]"
1 76 GLY 4.033 0.597 16 1 "[ . 1 .+ 2]"
1 77 GLU 7.741 0.634 12 1 "[ . 1 + . 2]"
1 78 GLY 1.992 0.597 16 1 "[ . 1 .+ 2]"
1 79 ALA 1.678 0.261 15 0 "[ . 1 . 2]"
1 80 ASP 1.213 0.261 15 0 "[ . 1 . 2]"
1 81 GLN 0.396 0.111 16 0 "[ . 1 . 2]"
1 82 ALA 0.210 0.090 16 0 "[ . 1 . 2]"
1 83 SER 0.010 0.008 8 0 "[ . 1 . 2]"
1 84 GLY 0.002 0.001 2 0 "[ . 1 . 2]"
1 85 TYR 0.002 0.001 2 0 "[ . 1 . 2]"
1 86 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 GLN 0.000 0.000 . 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 1 MET HA 1 2 ALA H . . 2.730 2.305 2.141 2.731 0.001 18 0 "[ . 1 . 2]" 1
2 1 1 MET QB 1 2 ALA H . . 4.110 3.444 2.454 4.043 . 0 0 "[ . 1 . 2]" 1
3 1 1 MET HB2 1 2 ALA H . . 4.940 4.156 2.914 4.662 . 0 0 "[ . 1 . 2]" 1
4 1 1 MET HB3 1 2 ALA H . . 4.940 3.846 2.482 4.642 . 0 0 "[ . 1 . 2]" 1
5 1 2 ALA H 1 2 ALA MB . . 2.550 2.251 2.115 2.522 . 0 0 "[ . 1 . 2]" 1
6 1 2 ALA H 1 3 ARG H . . 3.620 2.885 2.623 3.207 . 0 0 "[ . 1 . 2]" 1
7 1 2 ALA H 1 3 ARG QB . . 5.340 5.074 4.854 5.330 . 0 0 "[ . 1 . 2]" 1
8 1 2 ALA H 1 15 GLU QB . . 5.060 3.244 2.093 4.624 . 0 0 "[ . 1 . 2]" 1
9 1 2 ALA H 1 15 GLU QG . . 4.220 3.615 2.577 4.178 . 0 0 "[ . 1 . 2]" 1
10 1 2 ALA MB 1 3 ARG H . . 2.940 2.053 1.914 2.190 . 0 0 "[ . 1 . 2]" 1
11 1 2 ALA MB 1 3 ARG QB . . 4.270 3.035 2.879 3.119 . 0 0 "[ . 1 . 2]" 1
12 1 2 ALA MB 1 15 GLU H . . 5.500 5.348 5.081 5.518 0.018 11 0 "[ . 1 . 2]" 1
13 1 2 ALA MB 1 15 GLU HA . . 4.370 4.089 3.839 4.388 0.018 2 0 "[ . 1 . 2]" 1
14 1 2 ALA MB 1 15 GLU HG2 . . 4.380 4.086 3.088 4.390 0.010 3 0 "[ . 1 . 2]" 1
15 1 2 ALA MB 1 15 GLU QG . . 3.670 3.146 2.830 3.703 0.033 9 0 "[ . 1 . 2]" 1
16 1 2 ALA MB 1 15 GLU HG3 . . 4.380 3.464 2.870 4.410 0.030 8 0 "[ . 1 . 2]" 1
17 1 2 ALA MB 1 16 GLY H . . 4.350 3.697 2.931 4.141 . 0 0 "[ . 1 . 2]" 1
18 1 3 ARG H 1 3 ARG HB2 . . 3.300 2.857 2.536 3.111 . 0 0 "[ . 1 . 2]" 1
19 1 3 ARG H 1 3 ARG HB3 . . 3.300 3.237 3.041 3.341 0.041 9 0 "[ . 1 . 2]" 1
20 1 3 ARG H 1 3 ARG HD2 . . 5.500 4.689 3.925 5.370 . 0 0 "[ . 1 . 2]" 1
21 1 3 ARG H 1 3 ARG QD . . 4.670 4.329 3.829 4.781 0.111 9 0 "[ . 1 . 2]" 1
22 1 3 ARG H 1 3 ARG HD3 . . 5.500 5.245 4.415 5.541 0.041 8 0 "[ . 1 . 2]" 1
23 1 3 ARG H 1 4 MET H . . 4.490 4.346 4.324 4.398 . 0 0 "[ . 1 . 2]" 1
24 1 3 ARG H 1 15 GLU HA . . 4.690 3.267 2.944 3.458 . 0 0 "[ . 1 . 2]" 1
25 1 3 ARG H 1 15 GLU QG . . 3.990 3.778 3.332 4.013 0.023 19 0 "[ . 1 . 2]" 1
26 1 3 ARG H 1 16 GLY H . . 4.690 2.819 2.446 3.251 . 0 0 "[ . 1 . 2]" 1
27 1 3 ARG H 1 16 GLY HA2 . . 5.500 5.255 4.762 5.505 0.005 20 0 "[ . 1 . 2]" 1
28 1 3 ARG HA 1 3 ARG QD . . 4.680 2.851 2.102 3.966 . 0 0 "[ . 1 . 2]" 1
29 1 3 ARG HA 1 3 ARG QG . . 3.450 2.261 2.075 2.560 . 0 0 "[ . 1 . 2]" 1
30 1 3 ARG HA 1 4 MET H . . 2.910 2.699 2.609 2.731 . 0 0 "[ . 1 . 2]" 1
31 1 3 ARG HA 1 4 MET HA . . 5.300 4.513 4.486 4.540 . 0 0 "[ . 1 . 2]" 1
32 1 3 ARG QB 1 3 ARG QD . . 2.920 2.143 1.991 2.331 . 0 0 "[ . 1 . 2]" 1
33 1 3 ARG QB 1 4 MET H . . 3.640 2.369 2.270 2.543 . 0 0 "[ . 1 . 2]" 1
34 1 3 ARG QB 1 5 ILE MG . . 4.100 2.655 2.523 2.776 . 0 0 "[ . 1 . 2]" 1
35 1 3 ARG QB 1 16 GLY H . . 4.330 2.089 1.891 2.357 . 0 0 "[ . 1 . 2]" 1
36 1 3 ARG QD 1 18 ASP HA . . 4.410 2.977 2.003 4.165 . 0 0 "[ . 1 . 2]" 1
37 1 3 ARG QD 1 31 TYR QD . . 5.340 4.096 2.596 5.248 . 0 0 "[ . 1 . 2]" 1
38 1 3 ARG QD 1 31 TYR QE . . 4.530 3.580 2.428 4.531 0.001 8 0 "[ . 1 . 2]" 1
39 1 3 ARG HD2 1 18 ASP HA . . 5.170 4.070 2.199 5.167 . 0 0 "[ . 1 . 2]" 1
40 1 3 ARG HD3 1 18 ASP HA . . 5.170 3.289 2.052 5.045 . 0 0 "[ . 1 . 2]" 1
41 1 3 ARG QG 1 4 MET H . . 3.800 2.034 1.917 3.106 . 0 0 "[ . 1 . 2]" 1
42 1 3 ARG QG 1 5 ILE MG . . 4.020 3.090 2.773 3.844 . 0 0 "[ . 1 . 2]" 1
43 1 3 ARG QG 1 16 GLY H . . 4.220 4.023 3.831 4.248 0.028 11 0 "[ . 1 . 2]" 1
44 1 3 ARG HG2 1 5 ILE MG . . 4.590 3.278 2.832 4.609 0.019 9 0 "[ . 1 . 2]" 1
45 1 3 ARG HG3 1 5 ILE MG . . 4.590 3.948 3.529 4.612 0.022 2 0 "[ . 1 . 2]" 1
46 1 4 MET H 1 4 MET HB2 . . 3.930 3.460 2.790 3.799 . 0 0 "[ . 1 . 2]" 1
47 1 4 MET H 1 4 MET QB . . 3.270 3.040 2.727 3.202 . 0 0 "[ . 1 . 2]" 1
48 1 4 MET H 1 4 MET HB3 . . 3.930 3.570 3.362 3.912 . 0 0 "[ . 1 . 2]" 1
49 1 4 MET H 1 4 MET HG2 . . 3.460 2.863 2.208 3.460 . 0 0 "[ . 1 . 2]" 1
50 1 4 MET H 1 4 MET QG . . 2.970 2.431 2.122 2.926 . 0 0 "[ . 1 . 2]" 1
51 1 4 MET H 1 4 MET HG3 . . 3.460 2.761 2.181 3.188 . 0 0 "[ . 1 . 2]" 1
52 1 4 MET H 1 5 ILE H . . 3.890 3.881 3.825 3.915 0.025 19 0 "[ . 1 . 2]" 1
53 1 4 MET H 1 5 ILE HA . . 5.340 4.869 4.754 4.945 . 0 0 "[ . 1 . 2]" 1
54 1 4 MET H 1 5 ILE HG13 . . 5.500 5.462 5.302 5.524 0.024 5 0 "[ . 1 . 2]" 1
55 1 4 MET H 1 5 ILE MG . . 4.560 2.965 2.866 3.167 . 0 0 "[ . 1 . 2]" 1
56 1 4 MET H 1 15 GLU HA . . 5.500 4.669 4.369 5.058 . 0 0 "[ . 1 . 2]" 1
57 1 4 MET H 1 16 GLY H . . 4.680 3.687 3.268 4.171 . 0 0 "[ . 1 . 2]" 1
58 1 4 MET HA 1 5 ILE H . . 2.830 2.188 2.171 2.194 . 0 0 "[ . 1 . 2]" 1
59 1 4 MET HA 1 5 ILE MG . . 4.980 3.770 3.700 3.953 . 0 0 "[ . 1 . 2]" 1
60 1 4 MET HA 1 15 GLU HA . . 3.400 3.177 2.941 3.427 0.027 10 0 "[ . 1 . 2]" 1
61 1 4 MET HA 1 16 GLY H . . 4.010 3.706 3.249 4.023 0.013 5 0 "[ . 1 . 2]" 1
62 1 4 MET QG 1 5 ILE H . . 4.840 4.459 4.443 4.500 . 0 0 "[ . 1 . 2]" 1
63 1 5 ILE H 1 5 ILE MD . . 4.260 3.956 3.884 3.993 . 0 0 "[ . 1 . 2]" 1
64 1 5 ILE H 1 5 ILE HG12 . . 3.700 3.444 3.286 3.557 . 0 0 "[ . 1 . 2]" 1
65 1 5 ILE H 1 5 ILE HG13 . . 3.390 2.380 2.296 2.436 . 0 0 "[ . 1 . 2]" 1
66 1 5 ILE H 1 5 ILE MG . . 3.500 2.829 2.729 2.955 . 0 0 "[ . 1 . 2]" 1
67 1 5 ILE H 1 6 HIS H . . 4.480 4.425 4.410 4.447 . 0 0 "[ . 1 . 2]" 1
68 1 5 ILE H 1 7 CYS H . . 5.300 5.266 5.198 5.364 0.064 4 0 "[ . 1 . 2]" 1
69 1 5 ILE H 1 14 ALA H . . 3.850 3.720 3.404 3.884 0.034 9 0 "[ . 1 . 2]" 1
70 1 5 ILE H 1 15 GLU HA . . 4.010 3.331 3.068 3.806 . 0 0 "[ . 1 . 2]" 1
71 1 5 ILE H 1 16 GLY H . . 3.930 3.512 3.034 3.987 0.057 11 0 "[ . 1 . 2]" 1
72 1 5 ILE H 1 16 GLY HA2 . . 5.200 4.811 4.403 5.218 0.018 6 0 "[ . 1 . 2]" 1
73 1 5 ILE H 1 16 GLY HA3 . . 5.080 4.353 4.124 4.607 . 0 0 "[ . 1 . 2]" 1
74 1 5 ILE HA 1 5 ILE MD . . 3.920 3.775 3.707 3.891 . 0 0 "[ . 1 . 2]" 1
75 1 5 ILE HA 1 5 ILE HG13 . . 4.210 3.523 3.516 3.535 . 0 0 "[ . 1 . 2]" 1
76 1 5 ILE HA 1 5 ILE MG . . 2.860 2.430 2.316 2.464 . 0 0 "[ . 1 . 2]" 1
77 1 5 ILE HA 1 6 HIS H . . 2.890 2.479 2.475 2.491 . 0 0 "[ . 1 . 2]" 1
78 1 5 ILE HA 1 16 GLY HA3 . . 5.500 5.492 5.348 5.553 0.053 14 0 "[ . 1 . 2]" 1
79 1 5 ILE HB 1 5 ILE MD . . 3.040 2.176 1.991 2.218 . 0 0 "[ . 1 . 2]" 1
80 1 5 ILE HB 1 6 HIS H . . 2.820 2.279 2.242 2.303 . 0 0 "[ . 1 . 2]" 1
81 1 5 ILE HB 1 14 ALA H . . 5.500 5.445 5.361 5.511 0.011 20 0 "[ . 1 . 2]" 1
82 1 5 ILE HB 1 33 SER HA . . 4.920 3.948 3.691 4.323 . 0 0 "[ . 1 . 2]" 1
83 1 5 ILE MD 1 5 ILE MG . . 2.910 2.912 2.818 2.976 0.066 20 0 "[ . 1 . 2]" 1
84 1 5 ILE MD 1 6 HIS H . . 3.670 2.704 2.522 3.006 . 0 0 "[ . 1 . 2]" 1
85 1 5 ILE MD 1 7 CYS H . . 3.960 2.973 2.705 3.152 . 0 0 "[ . 1 . 2]" 1
86 1 5 ILE MD 1 7 CYS HA . . 2.840 2.436 2.349 2.518 . 0 0 "[ . 1 . 2]" 1
87 1 5 ILE MD 1 7 CYS QB . . 3.930 3.422 3.257 3.655 . 0 0 "[ . 1 . 2]" 1
88 1 5 ILE MD 1 8 ALA H . . 3.650 3.460 3.347 3.604 . 0 0 "[ . 1 . 2]" 1
89 1 5 ILE MD 1 8 ALA MB . . 4.290 4.216 4.102 4.343 0.053 15 0 "[ . 1 . 2]" 1
90 1 5 ILE MD 1 9 LYS H . . 5.230 5.067 4.966 5.212 . 0 0 "[ . 1 . 2]" 1
91 1 5 ILE MD 1 14 ALA H . . 4.360 3.794 3.611 4.082 . 0 0 "[ . 1 . 2]" 1
92 1 5 ILE MD 1 14 ALA MB . . 3.900 3.441 3.209 3.593 . 0 0 "[ . 1 . 2]" 1
93 1 5 ILE MD 1 15 GLU H . . 5.500 5.342 4.936 5.603 0.103 10 0 "[ . 1 . 2]" 1
94 1 5 ILE MD 1 16 GLY H . . 5.090 4.750 4.484 5.124 0.034 15 0 "[ . 1 . 2]" 1
95 1 5 ILE MD 1 16 GLY HA2 . . 3.530 3.247 2.973 3.497 . 0 0 "[ . 1 . 2]" 1
96 1 5 ILE MD 1 16 GLY HA3 . . 4.250 3.845 3.413 4.149 . 0 0 "[ . 1 . 2]" 1
97 1 5 ILE MD 1 17 LEU H . . 4.650 4.441 3.936 4.686 0.036 1 0 "[ . 1 . 2]" 1
98 1 5 ILE MD 1 33 SER H . . 4.050 3.796 3.367 4.071 0.021 19 0 "[ . 1 . 2]" 1
99 1 5 ILE MD 1 33 SER HA . . 3.290 2.888 2.374 3.239 . 0 0 "[ . 1 . 2]" 1
100 1 5 ILE MD 1 33 SER HB2 . . 5.110 4.758 4.236 4.986 . 0 0 "[ . 1 . 2]" 1
101 1 5 ILE MD 1 33 SER QB . . 4.500 4.213 3.908 4.365 . 0 0 "[ . 1 . 2]" 1
102 1 5 ILE MD 1 33 SER HB3 . . 5.110 4.727 4.376 5.059 . 0 0 "[ . 1 . 2]" 1
103 1 5 ILE MD 1 34 VAL H . . 3.610 3.567 3.040 3.689 0.079 10 0 "[ . 1 . 2]" 1
104 1 5 ILE MD 1 35 SER HA . . 3.130 2.811 2.384 3.158 0.028 14 0 "[ . 1 . 2]" 1
105 1 5 ILE MD 1 35 SER HB2 . . 3.790 2.797 1.979 3.684 . 0 0 "[ . 1 . 2]" 1
106 1 5 ILE MD 1 35 SER QB . . 3.190 2.502 1.898 3.049 . 0 0 "[ . 1 . 2]" 1
107 1 5 ILE MD 1 35 SER HB3 . . 3.790 3.361 2.004 3.831 0.041 17 0 "[ . 1 . 2]" 1
108 1 5 ILE MD 1 36 LYS H . . 4.900 4.685 4.221 4.920 0.020 14 0 "[ . 1 . 2]" 1
109 1 5 ILE MD 1 37 GLN H . . 5.500 5.527 5.078 5.607 0.107 17 0 "[ . 1 . 2]" 1
110 1 5 ILE MD 1 38 ALA MB . . 4.850 4.682 4.237 4.864 0.014 3 0 "[ . 1 . 2]" 1
111 1 5 ILE HG12 1 6 HIS H . . 4.870 4.567 4.507 4.646 . 0 0 "[ . 1 . 2]" 1
112 1 5 ILE HG12 1 7 CYS H . . 5.500 5.401 5.259 5.532 0.032 10 0 "[ . 1 . 2]" 1
113 1 5 ILE HG12 1 7 CYS HA . . 5.500 5.156 5.080 5.306 . 0 0 "[ . 1 . 2]" 1
114 1 5 ILE HG12 1 14 ALA H . . 5.370 5.173 5.005 5.379 0.009 14 0 "[ . 1 . 2]" 1
115 1 5 ILE HG12 1 16 GLY H . . 4.280 3.444 3.084 3.920 . 0 0 "[ . 1 . 2]" 1
116 1 5 ILE HG12 1 16 GLY HA2 . . 4.430 2.223 1.943 2.685 . 0 0 "[ . 1 . 2]" 1
117 1 5 ILE HG12 1 16 GLY HA3 . . 4.520 2.301 1.940 2.661 . 0 0 "[ . 1 . 2]" 1
118 1 5 ILE HG12 1 35 SER HA . . 4.150 3.387 2.679 3.729 . 0 0 "[ . 1 . 2]" 1
119 1 5 ILE HG12 1 35 SER HB2 . . 5.500 4.607 3.186 5.527 0.027 10 0 "[ . 1 . 2]" 1
120 1 5 ILE HG12 1 35 SER HB3 . . 5.500 4.858 3.895 5.549 0.049 5 0 "[ . 1 . 2]" 1
121 1 5 ILE HG13 1 5 ILE MG . . 3.220 2.886 2.845 2.942 . 0 0 "[ . 1 . 2]" 1
122 1 5 ILE HG13 1 6 HIS H . . 3.890 3.758 3.697 3.858 . 0 0 "[ . 1 . 2]" 1
123 1 5 ILE HG13 1 7 CYS H . . 4.220 3.971 3.830 4.152 . 0 0 "[ . 1 . 2]" 1
124 1 5 ILE HG13 1 7 CYS HA . . 4.480 4.517 4.434 4.570 0.090 14 0 "[ . 1 . 2]" 1
125 1 5 ILE HG13 1 7 CYS QB . . 5.340 4.739 4.538 4.843 . 0 0 "[ . 1 . 2]" 1
126 1 5 ILE HG13 1 13 GLU HA . . 5.280 5.028 4.784 5.267 . 0 0 "[ . 1 . 2]" 1
127 1 5 ILE HG13 1 14 ALA H . . 4.140 3.441 3.277 3.626 . 0 0 "[ . 1 . 2]" 1
128 1 5 ILE HG13 1 14 ALA MB . . 3.960 3.709 3.460 3.879 . 0 0 "[ . 1 . 2]" 1
129 1 5 ILE HG13 1 16 GLY H . . 4.670 3.810 3.334 4.415 . 0 0 "[ . 1 . 2]" 1
130 1 5 ILE HG13 1 16 GLY HA2 . . 4.760 3.459 2.982 3.889 . 0 0 "[ . 1 . 2]" 1
131 1 5 ILE HG13 1 16 GLY HA3 . . 4.840 3.684 3.318 4.112 . 0 0 "[ . 1 . 2]" 1
132 1 5 ILE MG 1 6 HIS H . . 4.100 3.753 3.704 3.785 . 0 0 "[ . 1 . 2]" 1
133 1 5 ILE MG 1 14 ALA H . . 5.500 5.466 5.289 5.552 0.052 18 0 "[ . 1 . 2]" 1
134 1 5 ILE MG 1 16 GLY H . . 4.100 3.203 2.767 3.855 . 0 0 "[ . 1 . 2]" 1
135 1 5 ILE MG 1 16 GLY HA2 . . 3.780 3.334 2.901 3.759 . 0 0 "[ . 1 . 2]" 1
136 1 5 ILE MG 1 16 GLY HA3 . . 3.600 2.336 2.097 2.516 . 0 0 "[ . 1 . 2]" 1
137 1 5 ILE MG 1 32 GLU H . . 5.500 4.985 4.532 5.440 . 0 0 "[ . 1 . 2]" 1
138 1 5 ILE MG 1 33 SER HA . . 4.710 4.587 4.318 4.758 0.048 11 0 "[ . 1 . 2]" 1
139 1 6 HIS H 1 6 HIS QB . . 3.170 2.876 2.361 2.941 . 0 0 "[ . 1 . 2]" 1
140 1 6 HIS H 1 6 HIS HD2 . . 4.890 4.196 4.135 4.766 . 0 0 "[ . 1 . 2]" 1
141 1 6 HIS H 1 7 CYS H . . 4.170 4.137 4.067 4.192 0.022 12 0 "[ . 1 . 2]" 1
142 1 6 HIS H 1 33 SER HA . . 5.130 4.687 4.330 5.134 0.004 14 0 "[ . 1 . 2]" 1
143 1 6 HIS HA 1 6 HIS HD2 . . 5.240 4.674 4.050 4.723 . 0 0 "[ . 1 . 2]" 1
144 1 6 HIS HA 1 7 CYS H . . 2.840 2.189 2.174 2.208 . 0 0 "[ . 1 . 2]" 1
145 1 6 HIS HA 1 12 LYS H . . 5.170 4.798 4.377 5.182 0.012 15 0 "[ . 1 . 2]" 1
146 1 6 HIS HA 1 13 GLU H . . 4.830 4.576 4.468 4.701 . 0 0 "[ . 1 . 2]" 1
147 1 6 HIS HA 1 13 GLU HA . . 3.100 2.084 1.929 2.244 . 0 0 "[ . 1 . 2]" 1
148 1 6 HIS HA 1 13 GLU HB2 . . 4.940 4.899 4.792 4.982 0.042 11 0 "[ . 1 . 2]" 1
149 1 6 HIS HA 1 13 GLU QG . . 3.990 3.188 2.959 3.506 . 0 0 "[ . 1 . 2]" 1
150 1 6 HIS HA 1 14 ALA H . . 3.600 2.773 2.609 2.969 . 0 0 "[ . 1 . 2]" 1
151 1 6 HIS QB 1 12 LYS HA . . 5.340 4.575 4.109 5.147 . 0 0 "[ . 1 . 2]" 1
152 1 6 HIS QB 1 13 GLU H . . 5.340 5.099 4.735 5.320 . 0 0 "[ . 1 . 2]" 1
153 1 6 HIS QB 1 13 GLU HA . . 3.910 3.440 3.236 3.632 . 0 0 "[ . 1 . 2]" 1
154 1 6 HIS QB 1 13 GLU QG . . 4.650 3.071 2.841 3.388 . 0 0 "[ . 1 . 2]" 1
155 1 6 HIS HB2 1 13 GLU HA . . 4.560 4.109 3.513 4.380 . 0 0 "[ . 1 . 2]" 1
156 1 6 HIS HB2 1 14 ALA H . . 5.420 5.236 4.873 5.445 0.025 10 0 "[ . 1 . 2]" 1
157 1 6 HIS HB3 1 13 GLU HA . . 4.560 3.730 3.420 4.700 0.140 4 0 "[ . 1 . 2]" 1
158 1 6 HIS HB3 1 14 ALA H . . 5.420 5.037 4.735 5.552 0.132 4 0 "[ . 1 . 2]" 1
159 1 6 HIS HD2 1 8 ALA HA . . 4.520 3.739 2.890 4.047 . 0 0 "[ . 1 . 2]" 1
160 1 7 CYS H 1 7 CYS HB2 . . 3.660 2.994 2.223 3.588 . 0 0 "[ . 1 . 2]" 1
161 1 7 CYS H 1 7 CYS QB . . 3.110 2.449 2.154 2.685 . 0 0 "[ . 1 . 2]" 1
162 1 7 CYS H 1 7 CYS HB3 . . 3.660 2.787 2.709 2.892 . 0 0 "[ . 1 . 2]" 1
163 1 7 CYS H 1 8 ALA H . . 4.470 4.382 4.336 4.477 0.007 5 0 "[ . 1 . 2]" 1
164 1 7 CYS H 1 8 ALA MB . . 5.500 5.589 5.545 5.657 0.157 10 0 "[ . 1 . 2]" 1
165 1 7 CYS H 1 9 LYS H . . 5.500 5.393 5.273 5.517 0.017 9 0 "[ . 1 . 2]" 1
166 1 7 CYS H 1 10 LEU QD . . 5.440 4.763 4.243 5.341 . 0 0 "[ . 1 . 2]" 1
167 1 7 CYS H 1 11 GLY H . . 4.880 4.752 4.466 4.943 0.063 16 0 "[ . 1 . 2]" 1
168 1 7 CYS H 1 12 LYS H . . 4.270 3.969 3.744 4.246 . 0 0 "[ . 1 . 2]" 1
169 1 7 CYS H 1 13 GLU H . . 5.470 4.897 4.751 5.155 . 0 0 "[ . 1 . 2]" 1
170 1 7 CYS H 1 13 GLU HA . . 3.560 3.075 2.923 3.402 . 0 0 "[ . 1 . 2]" 1
171 1 7 CYS H 1 13 GLU QG . . 5.330 4.775 4.647 5.103 . 0 0 "[ . 1 . 2]" 1
172 1 7 CYS H 1 14 ALA H . . 3.980 2.418 2.201 2.738 . 0 0 "[ . 1 . 2]" 1
173 1 7 CYS H 1 14 ALA HA . . 5.020 4.885 4.772 5.038 0.018 13 0 "[ . 1 . 2]" 1
174 1 7 CYS H 1 14 ALA MB . . 3.780 2.823 2.555 3.039 . 0 0 "[ . 1 . 2]" 1
175 1 7 CYS H 1 35 SER QB . . 4.210 3.760 3.338 4.176 . 0 0 "[ . 1 . 2]" 1
176 1 7 CYS HA 1 8 ALA H . . 2.860 2.154 2.139 2.165 . 0 0 "[ . 1 . 2]" 1
177 1 7 CYS HA 1 10 LEU QD . . 5.440 4.748 4.471 5.455 0.015 14 0 "[ . 1 . 2]" 1
178 1 7 CYS HA 1 14 ALA MB . . 5.180 3.689 3.631 3.770 . 0 0 "[ . 1 . 2]" 1
179 1 7 CYS HA 1 35 SER QB . . 4.580 2.781 2.387 3.531 . 0 0 "[ . 1 . 2]" 1
180 1 7 CYS QB 1 10 LEU QB . . 3.800 3.101 2.294 3.818 0.018 11 0 "[ . 1 . 2]" 1
181 1 7 CYS QB 1 10 LEU QD . . 4.410 2.641 2.291 3.317 . 0 0 "[ . 1 . 2]" 1
182 1 7 CYS QB 1 11 GLY H . . 3.760 3.052 2.346 3.550 . 0 0 "[ . 1 . 2]" 1
183 1 7 CYS QB 1 12 LYS H . . 3.640 3.326 2.577 3.961 0.321 11 0 "[ . 1 . 2]" 1
184 1 7 CYS QB 1 12 LYS QG . . 5.180 4.725 3.167 5.392 0.212 9 0 "[ . 1 . 2]" 1
185 1 7 CYS QB 1 14 ALA H . . 5.180 3.703 3.140 4.356 . 0 0 "[ . 1 . 2]" 1
186 1 7 CYS QB 1 14 ALA MB . . 3.460 2.021 1.874 2.233 . 0 0 "[ . 1 . 2]" 1
187 1 7 CYS QB 1 35 SER QB . . 3.760 2.271 1.913 2.928 . 0 0 "[ . 1 . 2]" 1
188 1 7 CYS QB 1 36 LYS H . . 5.340 5.220 4.949 5.401 0.061 19 0 "[ . 1 . 2]" 1
189 1 7 CYS HB2 1 8 ALA H . . 4.600 4.081 3.599 4.538 . 0 0 "[ . 1 . 2]" 1
190 1 7 CYS HB2 1 9 LYS H . . 5.130 3.635 2.770 4.535 . 0 0 "[ . 1 . 2]" 1
191 1 7 CYS HB2 1 35 SER HB2 . . 5.500 3.309 2.471 4.679 . 0 0 "[ . 1 . 2]" 1
192 1 7 CYS HB2 1 35 SER HB3 . . 5.500 3.919 3.097 4.969 . 0 0 "[ . 1 . 2]" 1
193 1 7 CYS HB3 1 8 ALA H . . 4.600 4.256 4.158 4.314 . 0 0 "[ . 1 . 2]" 1
194 1 7 CYS HB3 1 9 LYS H . . 5.130 3.970 3.436 4.378 . 0 0 "[ . 1 . 2]" 1
195 1 7 CYS HB3 1 35 SER HB2 . . 5.500 3.160 1.934 4.985 . 0 0 "[ . 1 . 2]" 1
196 1 7 CYS HB3 1 35 SER HB3 . . 5.500 3.794 2.081 5.178 . 0 0 "[ . 1 . 2]" 1
197 1 8 ALA H 1 8 ALA MB . . 2.920 2.106 2.036 2.208 . 0 0 "[ . 1 . 2]" 1
198 1 8 ALA H 1 9 LYS H . . 3.630 2.525 2.486 2.622 . 0 0 "[ . 1 . 2]" 1
199 1 8 ALA H 1 11 GLY H . . 5.360 5.005 4.807 5.290 . 0 0 "[ . 1 . 2]" 1
200 1 8 ALA H 1 14 ALA MB . . 5.500 5.553 5.515 5.609 0.109 17 0 "[ . 1 . 2]" 1
201 1 8 ALA H 1 33 SER HA . . 5.040 4.341 3.565 4.997 . 0 0 "[ . 1 . 2]" 1
202 1 8 ALA H 1 34 VAL H . . 5.500 5.398 4.991 5.531 0.031 10 0 "[ . 1 . 2]" 1
203 1 8 ALA H 1 35 SER QB . . 5.340 4.549 3.895 5.187 . 0 0 "[ . 1 . 2]" 1
204 1 8 ALA H 1 38 ALA MB . . 5.120 4.413 4.078 4.783 . 0 0 "[ . 1 . 2]" 1
205 1 8 ALA MB 1 9 LYS H . . 3.610 3.193 3.090 3.334 . 0 0 "[ . 1 . 2]" 1
206 1 8 ALA MB 1 33 SER HA . . 4.210 3.708 3.413 4.212 0.002 19 0 "[ . 1 . 2]" 1
207 1 8 ALA MB 1 33 SER HB2 . . 4.310 3.861 2.608 4.391 0.081 19 0 "[ . 1 . 2]" 1
208 1 8 ALA MB 1 33 SER QB . . 3.510 3.098 2.577 3.552 0.042 6 0 "[ . 1 . 2]" 1
209 1 8 ALA MB 1 33 SER HB3 . . 4.310 3.637 2.781 4.363 0.053 17 0 "[ . 1 . 2]" 1
210 1 8 ALA MB 1 75 PHE QE . . 4.450 4.432 4.167 4.522 0.072 13 0 "[ . 1 . 2]" 1
211 1 9 LYS H 1 11 GLY H . . 4.120 4.016 3.587 4.180 0.060 16 0 "[ . 1 . 2]" 1
212 1 9 LYS H 1 12 LYS H . . 5.500 5.459 5.297 5.549 0.049 5 0 "[ . 1 . 2]" 1
213 1 9 LYS H 1 35 SER QB . . 5.340 4.919 4.270 5.364 0.024 14 0 "[ . 1 . 2]" 1
214 1 9 LYS H 1 38 ALA MB . . 3.560 3.278 3.110 3.485 . 0 0 "[ . 1 . 2]" 1
215 1 10 LEU HA 1 10 LEU MD1 . . 4.110 3.952 2.833 4.044 . 0 0 "[ . 1 . 2]" 1
216 1 10 LEU HA 1 10 LEU QD . . 2.900 2.398 2.296 2.733 . 0 0 "[ . 1 . 2]" 1
217 1 10 LEU HA 1 10 LEU MD2 . . 4.110 2.458 2.310 3.596 . 0 0 "[ . 1 . 2]" 1
218 1 10 LEU HA 1 10 LEU HG . . 3.720 3.230 2.201 3.550 . 0 0 "[ . 1 . 2]" 1
219 1 10 LEU HA 1 12 LYS QD . . 5.330 4.538 3.648 5.327 . 0 0 "[ . 1 . 2]" 1
220 1 10 LEU QB 1 10 LEU QD . . 2.450 1.863 1.763 1.938 . 0 0 "[ . 1 . 2]" 1
221 1 10 LEU QB 1 11 GLY H . . 3.280 2.309 2.053 2.568 . 0 0 "[ . 1 . 2]" 1
222 1 10 LEU QB 1 12 LYS H . . 3.300 2.795 2.424 3.284 . 0 0 "[ . 1 . 2]" 1
223 1 10 LEU QB 1 12 LYS QD . . 2.940 2.253 1.816 2.936 . 0 0 "[ . 1 . 2]" 1
224 1 10 LEU QB 1 12 LYS QE . . 4.180 3.135 2.069 4.301 0.121 14 0 "[ . 1 . 2]" 1
225 1 10 LEU QB 1 12 LYS QG . . 3.760 2.848 1.938 3.777 0.017 4 0 "[ . 1 . 2]" 1
226 1 10 LEU HB2 1 10 LEU MD1 . . 3.500 2.106 2.005 2.278 . 0 0 "[ . 1 . 2]" 1
227 1 10 LEU HB2 1 10 LEU MD2 . . 3.500 3.147 2.760 3.189 . 0 0 "[ . 1 . 2]" 1
228 1 10 LEU HB2 1 11 GLY H . . 3.780 2.357 2.070 3.092 . 0 0 "[ . 1 . 2]" 1
229 1 10 LEU HB3 1 10 LEU MD1 . . 3.500 2.586 2.440 3.083 . 0 0 "[ . 1 . 2]" 1
230 1 10 LEU HB3 1 10 LEU MD2 . . 3.500 2.258 1.966 2.346 . 0 0 "[ . 1 . 2]" 1
231 1 10 LEU HB3 1 11 GLY H . . 3.780 3.642 2.744 3.862 0.082 2 0 "[ . 1 . 2]" 1
232 1 10 LEU QD 1 11 GLY H . . 4.440 3.618 3.447 4.004 . 0 0 "[ . 1 . 2]" 1
233 1 10 LEU QD 1 12 LYS H . . 4.260 3.719 3.486 4.269 0.009 14 0 "[ . 1 . 2]" 1
234 1 10 LEU QD 1 12 LYS QD . . 3.860 2.479 1.848 3.893 0.033 3 0 "[ . 1 . 2]" 1
235 1 10 LEU QD 1 12 LYS QE . . 3.180 2.952 1.909 3.220 0.040 2 0 "[ . 1 . 2]" 1
236 1 10 LEU QD 1 13 GLU H . . 5.440 5.511 5.474 5.614 0.174 19 0 "[ . 1 . 2]" 1
237 1 10 LEU QD 1 14 ALA MB . . 3.580 3.266 2.470 3.626 0.046 14 0 "[ . 1 . 2]" 1
238 1 10 LEU QD 1 35 SER QB . . 4.850 4.032 3.265 4.635 . 0 0 "[ . 1 . 2]" 1
239 1 10 LEU QD 1 37 GLN H . . 4.790 4.386 3.673 4.812 0.022 3 0 "[ . 1 . 2]" 1
240 1 10 LEU QD 1 37 GLN HB2 . . 3.940 3.244 2.544 3.945 0.005 1 0 "[ . 1 . 2]" 1
241 1 10 LEU QD 1 37 GLN HE21 . . 4.010 3.555 3.134 3.993 . 0 0 "[ . 1 . 2]" 1
242 1 10 LEU QD 1 37 GLN HG2 . . 4.140 2.200 1.843 2.859 . 0 0 "[ . 1 . 2]" 1
243 1 10 LEU QD 1 37 GLN HG3 . . 3.060 2.591 1.966 3.055 . 0 0 "[ . 1 . 2]" 1
244 1 10 LEU QD 1 38 ALA H . . 4.140 3.725 3.055 4.158 0.018 3 0 "[ . 1 . 2]" 1
245 1 10 LEU QD 1 38 ALA HA . . 4.660 3.845 2.108 4.361 . 0 0 "[ . 1 . 2]" 1
246 1 10 LEU QD 1 38 ALA MB . . 3.630 3.311 2.074 3.689 0.059 20 0 "[ . 1 . 2]" 1
247 1 10 LEU MD1 1 11 GLY H . . 5.100 3.839 3.640 4.644 . 0 0 "[ . 1 . 2]" 1
248 1 10 LEU MD1 1 37 GLN HE21 . . 4.610 3.938 3.192 4.550 . 0 0 "[ . 1 . 2]" 1
249 1 10 LEU MD1 1 37 GLN HG3 . . 3.590 2.947 2.383 3.397 . 0 0 "[ . 1 . 2]" 1
250 1 10 LEU MD1 1 38 ALA H . . 4.760 3.969 3.098 4.681 . 0 0 "[ . 1 . 2]" 1
251 1 10 LEU MD1 1 38 ALA HA . . 5.500 4.778 2.113 5.325 . 0 0 "[ . 1 . 2]" 1
252 1 10 LEU MD1 1 38 ALA MB . . 4.740 3.893 2.081 4.357 . 0 0 "[ . 1 . 2]" 1
253 1 10 LEU MD2 1 11 GLY H . . 5.100 4.477 4.191 4.745 . 0 0 "[ . 1 . 2]" 1
254 1 10 LEU MD2 1 37 GLN HE21 . . 4.610 4.226 3.608 4.580 . 0 0 "[ . 1 . 2]" 1
255 1 10 LEU MD2 1 37 GLN HG3 . . 3.590 2.967 2.048 3.568 . 0 0 "[ . 1 . 2]" 1
256 1 10 LEU MD2 1 38 ALA H . . 4.760 4.678 4.112 4.774 0.014 12 0 "[ . 1 . 2]" 1
257 1 10 LEU MD2 1 38 ALA HA . . 5.500 4.189 3.146 4.754 . 0 0 "[ . 1 . 2]" 1
258 1 10 LEU MD2 1 38 ALA MB . . 4.740 3.771 2.661 4.401 . 0 0 "[ . 1 . 2]" 1
259 1 10 LEU HG 1 11 GLY H . . 4.890 3.681 3.084 4.840 . 0 0 "[ . 1 . 2]" 1
260 1 10 LEU HG 1 38 ALA MB . . 4.070 3.742 3.304 4.078 0.008 18 0 "[ . 1 . 2]" 1
261 1 11 GLY H 1 11 GLY QA . . 2.550 2.356 2.292 2.398 . 0 0 "[ . 1 . 2]" 1
262 1 11 GLY H 1 12 LYS H . . 3.000 1.953 1.860 2.219 . 0 0 "[ . 1 . 2]" 1
263 1 11 GLY H 1 12 LYS HA . . 4.900 4.697 4.567 4.911 0.011 14 0 "[ . 1 . 2]" 1
264 1 11 GLY H 1 12 LYS QD . . 4.340 3.703 2.905 4.405 0.065 14 0 "[ . 1 . 2]" 1
265 1 11 GLY H 1 12 LYS QG . . 4.510 3.595 2.823 4.505 . 0 0 "[ . 1 . 2]" 1
266 1 11 GLY QA 1 12 LYS H . . 3.080 2.830 2.706 2.917 . 0 0 "[ . 1 . 2]" 1
267 1 12 LYS H 1 12 LYS QD . . 4.380 2.981 1.911 4.130 . 0 0 "[ . 1 . 2]" 1
268 1 12 LYS H 1 12 LYS QG . . 3.470 2.568 1.936 3.098 . 0 0 "[ . 1 . 2]" 1
269 1 12 LYS H 1 13 GLU H . . 4.380 4.327 4.292 4.372 . 0 0 "[ . 1 . 2]" 1
270 1 12 LYS H 1 13 GLU HA . . 5.130 4.920 4.787 5.052 . 0 0 "[ . 1 . 2]" 1
271 1 12 LYS H 1 14 ALA H . . 5.500 5.481 5.367 5.540 0.040 18 0 "[ . 1 . 2]" 1
272 1 12 LYS HA 1 12 LYS QD . . 4.360 3.811 2.647 4.282 . 0 0 "[ . 1 . 2]" 1
273 1 12 LYS HA 1 12 LYS QE . . 5.340 4.797 4.150 5.274 . 0 0 "[ . 1 . 2]" 1
274 1 12 LYS HA 1 12 LYS QG . . 3.600 2.878 2.497 3.409 . 0 0 "[ . 1 . 2]" 1
275 1 12 LYS HA 1 13 GLU H . . 3.000 2.746 2.685 2.795 . 0 0 "[ . 1 . 2]" 1
276 1 12 LYS HA 1 13 GLU HA . . 4.740 4.385 4.334 4.426 . 0 0 "[ . 1 . 2]" 1
277 1 12 LYS HA 1 13 GLU HB2 . . 4.640 4.546 4.440 4.629 . 0 0 "[ . 1 . 2]" 1
278 1 12 LYS HA 1 13 GLU QG . . 4.570 4.309 4.004 4.591 0.021 14 0 "[ . 1 . 2]" 1
279 1 12 LYS QB 1 12 LYS QE . . 4.240 2.928 1.987 3.677 . 0 0 "[ . 1 . 2]" 1
280 1 12 LYS QB 1 13 GLU H . . 2.510 1.921 1.785 2.058 . 0 0 "[ . 1 . 2]" 1
281 1 12 LYS HB2 1 13 GLU H . . 2.890 2.394 1.795 2.811 . 0 0 "[ . 1 . 2]" 1
282 1 12 LYS HB3 1 13 GLU H . . 2.890 2.378 1.959 3.243 0.353 11 0 "[ . 1 . 2]" 1
283 1 12 LYS QE 1 12 LYS QG . . 2.990 2.276 1.949 2.822 . 0 0 "[ . 1 . 2]" 1
284 1 12 LYS QG 1 13 GLU H . . 4.450 3.842 3.364 3.997 . 0 0 "[ . 1 . 2]" 1
285 1 13 GLU H 1 13 GLU HB2 . . 2.920 2.264 2.133 2.364 . 0 0 "[ . 1 . 2]" 1
286 1 13 GLU H 1 13 GLU QG . . 3.570 3.337 3.180 3.509 . 0 0 "[ . 1 . 2]" 1
287 1 13 GLU H 1 14 ALA H . . 4.410 4.316 4.179 4.461 0.051 10 0 "[ . 1 . 2]" 1
288 1 13 GLU H 1 14 ALA MB . . 4.830 4.751 4.633 4.921 0.091 5 0 "[ . 1 . 2]" 1
289 1 13 GLU HA 1 13 GLU QG . . 3.290 2.278 2.145 2.470 . 0 0 "[ . 1 . 2]" 1
290 1 13 GLU HA 1 14 ALA H . . 2.860 2.144 2.139 2.156 . 0 0 "[ . 1 . 2]" 1
291 1 13 GLU HA 1 14 ALA HA . . 5.090 4.392 4.389 4.396 . 0 0 "[ . 1 . 2]" 1
292 1 13 GLU HA 1 14 ALA MB . . 4.790 4.032 3.983 4.068 . 0 0 "[ . 1 . 2]" 1
293 1 13 GLU HB2 1 13 GLU QG . . 2.570 2.324 2.144 2.457 . 0 0 "[ . 1 . 2]" 1
294 1 14 ALA H 1 14 ALA MB . . 3.240 2.483 2.390 2.579 . 0 0 "[ . 1 . 2]" 1
295 1 14 ALA H 1 15 GLU H . . 4.430 4.428 4.388 4.461 0.031 13 0 "[ . 1 . 2]" 1
296 1 14 ALA H 1 35 SER QB . . 5.340 4.202 3.836 4.490 . 0 0 "[ . 1 . 2]" 1
297 1 14 ALA HA 1 15 GLU H . . 2.780 2.530 2.389 2.642 . 0 0 "[ . 1 . 2]" 1
298 1 14 ALA MB 1 15 GLU H . . 2.790 2.137 1.919 2.423 . 0 0 "[ . 1 . 2]" 1
299 1 14 ALA MB 1 35 SER HA . . 4.200 3.969 3.631 4.143 . 0 0 "[ . 1 . 2]" 1
300 1 14 ALA MB 1 35 SER QB . . 3.110 2.001 1.794 2.556 . 0 0 "[ . 1 . 2]" 1
301 1 14 ALA MB 1 36 LYS H . . 3.350 3.276 2.996 3.465 0.115 18 0 "[ . 1 . 2]" 1
302 1 14 ALA MB 1 37 GLN H . . 3.590 3.315 2.571 3.617 0.027 5 0 "[ . 1 . 2]" 1
303 1 14 ALA MB 1 38 ALA H . . 4.710 4.446 3.601 4.726 0.016 18 0 "[ . 1 . 2]" 1
304 1 15 GLU H 1 15 GLU HA . . 2.930 2.863 2.770 2.917 . 0 0 "[ . 1 . 2]" 1
305 1 15 GLU H 1 15 GLU QB . . 2.760 2.498 2.242 2.744 . 0 0 "[ . 1 . 2]" 1
306 1 15 GLU H 1 15 GLU HG2 . . 3.850 2.670 1.950 3.867 0.017 11 0 "[ . 1 . 2]" 1
307 1 15 GLU H 1 15 GLU QG . . 3.260 2.368 1.941 3.176 . 0 0 "[ . 1 . 2]" 1
308 1 15 GLU H 1 15 GLU HG3 . . 3.850 3.370 2.350 3.862 0.012 18 0 "[ . 1 . 2]" 1
309 1 15 GLU H 1 16 GLY H . . 4.660 4.564 4.470 4.650 . 0 0 "[ . 1 . 2]" 1
310 1 15 GLU H 1 35 SER QB . . 5.070 3.585 3.083 4.617 . 0 0 "[ . 1 . 2]" 1
311 1 15 GLU H 1 36 LYS QB . . 4.140 3.754 3.463 4.040 . 0 0 "[ . 1 . 2]" 1
312 1 15 GLU H 1 37 GLN H . . 4.970 4.755 3.749 5.003 0.033 19 0 "[ . 1 . 2]" 1
313 1 15 GLU HA 1 15 GLU HG2 . . 4.110 3.215 2.182 3.652 . 0 0 "[ . 1 . 2]" 1
314 1 15 GLU HA 1 15 GLU QG . . 3.430 2.899 2.152 3.357 . 0 0 "[ . 1 . 2]" 1
315 1 15 GLU HA 1 15 GLU HG3 . . 4.110 3.564 2.346 4.120 0.010 13 0 "[ . 1 . 2]" 1
316 1 15 GLU HA 1 16 GLY H . . 2.930 2.205 2.143 2.351 . 0 0 "[ . 1 . 2]" 1
317 1 15 GLU QB 1 16 GLY H . . 4.390 2.993 2.532 3.335 . 0 0 "[ . 1 . 2]" 1
318 1 15 GLU QG 1 16 GLY H . . 4.720 4.214 3.676 4.711 . 0 0 "[ . 1 . 2]" 1
319 1 15 GLU QG 1 36 LYS H . . 4.930 3.983 2.180 4.956 0.026 8 0 "[ . 1 . 2]" 1
320 1 15 GLU QG 1 36 LYS QB . . 3.980 3.139 1.779 4.019 0.039 8 0 "[ . 1 . 2]" 1
321 1 16 GLY H 1 17 LEU H . . 4.640 4.571 4.520 4.634 . 0 0 "[ . 1 . 2]" 1
322 1 16 GLY H 1 36 LYS H . . 5.410 5.074 4.568 5.380 . 0 0 "[ . 1 . 2]" 1
323 1 16 GLY HA2 1 36 LYS H . . 4.370 3.967 3.437 4.374 0.004 7 0 "[ . 1 . 2]" 1
324 1 17 LEU H 1 17 LEU HB2 . . 3.850 2.350 2.045 2.803 . 0 0 "[ . 1 . 2]" 1
325 1 17 LEU H 1 17 LEU QB . . 3.380 2.312 2.024 2.708 . 0 0 "[ . 1 . 2]" 1
326 1 17 LEU H 1 17 LEU HB3 . . 3.850 3.505 3.181 3.595 . 0 0 "[ . 1 . 2]" 1
327 1 17 LEU H 1 17 LEU MD1 . . 4.190 3.001 2.019 4.134 . 0 0 "[ . 1 . 2]" 1
328 1 17 LEU H 1 17 LEU MD2 . . 4.190 3.299 1.890 4.215 0.025 18 0 "[ . 1 . 2]" 1
329 1 17 LEU H 1 17 LEU HG . . 4.250 3.330 1.918 4.372 0.122 18 0 "[ . 1 . 2]" 1
330 1 17 LEU H 1 18 ASP H . . 4.680 3.402 2.392 4.560 . 0 0 "[ . 1 . 2]" 1
331 1 17 LEU H 1 19 PHE H . . 5.340 4.884 4.436 5.384 0.044 12 0 "[ . 1 . 2]" 1
332 1 17 LEU H 1 31 TYR QD . . 5.340 3.768 3.433 4.282 . 0 0 "[ . 1 . 2]" 1
333 1 17 LEU H 1 33 SER H . . 5.500 5.452 5.076 5.549 0.049 8 0 "[ . 1 . 2]" 1
334 1 17 LEU H 1 36 LYS H . . 5.500 5.316 4.344 5.534 0.034 6 0 "[ . 1 . 2]" 1
335 1 17 LEU HA 1 17 LEU MD1 . . 4.160 2.914 1.934 3.944 . 0 0 "[ . 1 . 2]" 1
336 1 17 LEU HA 1 17 LEU QD . . 2.780 2.248 1.881 2.782 0.002 17 0 "[ . 1 . 2]" 1
337 1 17 LEU HA 1 17 LEU MD2 . . 4.160 3.040 1.950 3.822 . 0 0 "[ . 1 . 2]" 1
338 1 17 LEU HA 1 17 LEU HG . . 3.660 2.957 2.435 3.675 0.015 11 0 "[ . 1 . 2]" 1
339 1 17 LEU HA 1 31 TYR QD . . 5.500 4.958 4.157 5.507 0.007 18 0 "[ . 1 . 2]" 1
340 1 17 LEU QB 1 17 LEU QD . . 2.870 1.931 1.849 2.044 . 0 0 "[ . 1 . 2]" 1
341 1 17 LEU QB 1 18 ASP H . . 3.300 2.406 1.894 2.932 . 0 0 "[ . 1 . 2]" 1
342 1 17 LEU QB 1 19 PHE H . . 3.150 2.614 2.210 2.918 . 0 0 "[ . 1 . 2]" 1
343 1 17 LEU QB 1 31 TYR HA . . 4.020 2.493 1.957 3.093 . 0 0 "[ . 1 . 2]" 1
344 1 17 LEU QB 1 31 TYR QD . . 3.850 3.212 2.443 3.676 . 0 0 "[ . 1 . 2]" 1
345 1 17 LEU HB2 1 18 ASP H . . 3.820 3.003 2.562 3.647 . 0 0 "[ . 1 . 2]" 1
346 1 17 LEU HB2 1 19 PHE H . . 3.930 3.294 2.687 3.946 0.016 13 0 "[ . 1 . 2]" 1
347 1 17 LEU HB3 1 18 ASP H . . 3.820 2.884 1.905 3.871 0.051 15 0 "[ . 1 . 2]" 1
348 1 17 LEU HB3 1 19 PHE H . . 3.930 2.972 2.223 3.816 . 0 0 "[ . 1 . 2]" 1
349 1 17 LEU QD 1 18 ASP H . . 4.110 3.829 3.436 4.167 0.057 15 0 "[ . 1 . 2]" 1
350 1 17 LEU QD 1 19 PHE H . . 4.420 3.987 3.499 4.330 . 0 0 "[ . 1 . 2]" 1
351 1 17 LEU QD 1 21 PRO HD3 . . 3.860 3.705 3.415 3.950 0.090 6 0 "[ . 1 . 2]" 1
352 1 17 LEU QD 1 21 PRO HG2 . . 5.440 5.347 4.837 5.603 0.163 13 0 "[ . 1 . 2]" 1
353 1 17 LEU QD 1 21 PRO HG3 . . 4.790 4.109 3.422 4.553 . 0 0 "[ . 1 . 2]" 1
354 1 17 LEU QD 1 31 TYR H . . 4.520 4.331 3.794 4.790 0.270 10 0 "[ . 1 . 2]" 1
355 1 17 LEU QD 1 31 TYR HA . . 3.190 2.512 1.950 3.081 . 0 0 "[ . 1 . 2]" 1
356 1 17 LEU QD 1 31 TYR HB2 . . 3.960 3.024 2.270 3.481 . 0 0 "[ . 1 . 2]" 1
357 1 17 LEU QD 1 31 TYR HB3 . . 4.530 3.551 3.084 4.117 . 0 0 "[ . 1 . 2]" 1
358 1 17 LEU QD 1 31 TYR QD . . 4.710 4.296 3.721 4.649 . 0 0 "[ . 1 . 2]" 1
359 1 17 LEU QD 1 36 LYS H . . 4.230 3.884 2.954 4.266 0.036 18 0 "[ . 1 . 2]" 1
360 1 17 LEU QD 1 36 LYS HA . . 3.400 3.118 2.141 3.404 0.004 16 0 "[ . 1 . 2]" 1
361 1 17 LEU QD 1 39 TRP HA . . 4.130 3.673 3.071 4.103 . 0 0 "[ . 1 . 2]" 1
362 1 17 LEU QD 1 39 TRP HB2 . . 3.450 2.514 1.879 2.898 . 0 0 "[ . 1 . 2]" 1
363 1 17 LEU QD 1 39 TRP HB3 . . 3.910 3.804 3.130 3.924 0.014 16 0 "[ . 1 . 2]" 1
364 1 17 LEU QD 1 39 TRP HD1 . . 5.440 4.631 3.828 5.138 . 0 0 "[ . 1 . 2]" 1
365 1 17 LEU QD 1 39 TRP HE3 . . 4.890 2.526 1.848 3.670 . 0 0 "[ . 1 . 2]" 1
366 1 17 LEU MD1 1 18 ASP H . . 4.740 4.357 3.719 4.722 . 0 0 "[ . 1 . 2]" 1
367 1 17 LEU MD1 1 31 TYR HA . . 4.460 3.100 1.953 4.496 0.036 6 0 "[ . 1 . 2]" 1
368 1 17 LEU MD1 1 39 TRP HB2 . . 4.440 3.167 2.422 4.296 . 0 0 "[ . 1 . 2]" 1
369 1 17 LEU MD2 1 18 ASP H . . 4.740 4.304 3.667 4.876 0.136 14 0 "[ . 1 . 2]" 1
370 1 17 LEU MD2 1 31 TYR HA . . 4.460 3.356 1.957 4.480 0.020 3 0 "[ . 1 . 2]" 1
371 1 17 LEU MD2 1 39 TRP HB2 . . 4.440 3.255 1.887 4.447 0.007 18 0 "[ . 1 . 2]" 1
372 1 17 LEU HG 1 19 PHE H . . 5.370 5.024 4.094 5.380 0.010 8 0 "[ . 1 . 2]" 1
373 1 18 ASP H 1 18 ASP QB . . 3.090 2.902 2.684 3.139 0.049 16 0 "[ . 1 . 2]" 1
374 1 18 ASP H 1 19 PHE H . . 2.910 2.569 2.201 2.911 0.001 14 0 "[ . 1 . 2]" 1
375 1 18 ASP H 1 31 TYR QD . . 4.520 2.787 1.920 4.378 . 0 0 "[ . 1 . 2]" 1
376 1 18 ASP HA 1 31 TYR QD . . 4.660 2.686 2.181 3.373 . 0 0 "[ . 1 . 2]" 1
377 1 18 ASP HA 1 31 TYR QE . . 5.210 3.006 2.199 4.028 . 0 0 "[ . 1 . 2]" 1
378 1 19 PHE H 1 21 PRO HD3 . . 5.500 4.803 4.351 5.532 0.032 13 0 "[ . 1 . 2]" 1
379 1 19 PHE H 1 31 TYR H . . 5.500 5.587 5.504 5.738 0.238 19 0 "[ . 1 . 2]" 1
380 1 19 PHE H 1 31 TYR HB2 . . 4.630 2.384 2.158 2.759 . 0 0 "[ . 1 . 2]" 1
381 1 19 PHE H 1 31 TYR QD . . 3.370 2.869 2.050 3.373 0.003 20 0 "[ . 1 . 2]" 1
382 1 21 PRO QB 1 22 LEU H . . 3.550 3.248 2.842 3.551 0.001 18 0 "[ . 1 . 2]" 1
383 1 21 PRO QB 1 27 GLY HA2 . . 5.330 4.255 3.844 4.891 . 0 0 "[ . 1 . 2]" 1
384 1 21 PRO QB 1 27 GLY HA3 . . 5.270 4.570 4.150 4.828 . 0 0 "[ . 1 . 2]" 1
385 1 21 PRO HD2 1 22 LEU H . . 3.560 2.716 2.647 2.805 . 0 0 "[ . 1 . 2]" 1
386 1 21 PRO HD2 1 28 LYS H . . 5.040 4.283 3.790 4.823 . 0 0 "[ . 1 . 2]" 1
387 1 21 PRO HD2 1 29 ARG H . . 5.500 5.261 4.942 5.716 0.216 18 0 "[ . 1 . 2]" 1
388 1 21 PRO HD2 1 31 TYR H . . 4.180 3.514 2.955 4.103 . 0 0 "[ . 1 . 2]" 1
389 1 21 PRO HD3 1 22 LEU H . . 3.980 3.872 3.838 3.927 . 0 0 "[ . 1 . 2]" 1
390 1 21 PRO HD3 1 31 TYR H . . 4.220 3.351 2.843 4.250 0.030 18 0 "[ . 1 . 2]" 1
391 1 21 PRO HG2 1 22 LEU H . . 3.880 2.484 1.938 2.971 . 0 0 "[ . 1 . 2]" 1
392 1 21 PRO HG2 1 27 GLY HA2 . . 5.500 2.351 1.999 3.021 . 0 0 "[ . 1 . 2]" 1
393 1 21 PRO HG2 1 28 LYS H . . 5.500 5.288 4.674 5.572 0.072 20 0 "[ . 1 . 2]" 1
394 1 21 PRO HG2 1 31 TYR H . . 5.230 4.608 3.869 5.390 0.160 13 0 "[ . 1 . 2]" 1
395 1 21 PRO HG3 1 22 LEU H . . 4.260 3.967 3.557 4.332 0.072 18 0 "[ . 1 . 2]" 1
396 1 22 LEU H 1 27 GLY HA2 . . 4.260 3.566 2.966 4.189 . 0 0 "[ . 1 . 2]" 1
397 1 22 LEU H 1 27 GLY HA3 . . 3.650 2.627 2.130 3.258 . 0 0 "[ . 1 . 2]" 1
398 1 22 LEU H 1 28 LYS H . . 5.380 5.046 4.313 5.635 0.255 19 0 "[ . 1 . 2]" 1
399 1 24 GLY H 1 25 GLU H . . 4.660 4.091 1.814 4.614 . 0 0 "[ . 1 . 2]" 1
400 1 24 GLY H 1 27 GLY H . . 5.440 4.200 3.673 4.845 . 0 0 "[ . 1 . 2]" 1
401 1 24 GLY H 1 28 LYS H . . 5.500 5.016 3.842 5.559 0.059 16 0 "[ . 1 . 2]" 1
402 1 24 GLY HA2 1 25 GLU H . . 3.550 2.721 2.387 3.502 . 0 0 "[ . 1 . 2]" 1
403 1 24 GLY HA3 1 25 GLU H . . 3.550 2.618 2.314 3.438 . 0 0 "[ . 1 . 2]" 1
404 1 25 GLU H 1 25 GLU QB . . 3.190 2.532 2.321 3.011 . 0 0 "[ . 1 . 2]" 1
405 1 25 GLU H 1 25 GLU QG . . 3.650 2.293 1.824 2.652 . 0 0 "[ . 1 . 2]" 1
406 1 25 GLU H 1 26 LEU QB . . 5.080 4.157 3.909 4.708 . 0 0 "[ . 1 . 2]" 1
407 1 25 GLU H 1 26 LEU QD . . 5.440 5.412 5.275 5.662 0.222 18 0 "[ . 1 . 2]" 1
408 1 25 GLU HA 1 25 GLU QG . . 3.540 2.859 2.341 3.413 . 0 0 "[ . 1 . 2]" 1
409 1 25 GLU QB 1 26 LEU H . . 4.260 3.036 1.948 3.775 . 0 0 "[ . 1 . 2]" 1
410 1 25 GLU QG 1 26 LEU H . . 4.300 3.494 1.880 4.295 . 0 0 "[ . 1 . 2]" 1
411 1 26 LEU H 1 26 LEU QB . . 3.380 2.165 2.054 2.242 . 0 0 "[ . 1 . 2]" 1
412 1 26 LEU H 1 26 LEU MD1 . . 4.990 4.236 4.062 4.361 . 0 0 "[ . 1 . 2]" 1
413 1 26 LEU H 1 26 LEU QD . . 4.310 3.738 3.601 3.784 . 0 0 "[ . 1 . 2]" 1
414 1 26 LEU H 1 26 LEU MD2 . . 4.990 4.159 3.965 4.236 . 0 0 "[ . 1 . 2]" 1
415 1 26 LEU H 1 27 GLY H . . 3.570 2.618 2.252 2.965 . 0 0 "[ . 1 . 2]" 1
416 1 26 LEU H 1 27 GLY HA3 . . 5.140 4.857 4.501 5.143 0.003 7 0 "[ . 1 . 2]" 1
417 1 26 LEU H 1 28 LYS H . . 4.560 4.250 3.729 4.483 . 0 0 "[ . 1 . 2]" 1
418 1 26 LEU H 1 29 ARG HG3 . . 5.290 5.239 4.959 5.312 0.022 5 0 "[ . 1 . 2]" 1
419 1 26 LEU HA 1 26 LEU QD . . 2.990 2.188 1.943 2.418 . 0 0 "[ . 1 . 2]" 1
420 1 26 LEU HA 1 29 ARG QD . . 4.960 3.223 2.379 3.966 . 0 0 "[ . 1 . 2]" 1
421 1 26 LEU QB 1 26 LEU QD . . 2.820 1.927 1.878 1.965 . 0 0 "[ . 1 . 2]" 1
422 1 26 LEU QB 1 27 GLY HA2 . . 5.340 4.051 3.688 4.434 . 0 0 "[ . 1 . 2]" 1
423 1 26 LEU QB 1 27 GLY HA3 . . 5.340 4.379 4.007 4.728 . 0 0 "[ . 1 . 2]" 1
424 1 26 LEU QD 1 27 GLY HA2 . . 4.340 3.604 2.797 4.067 . 0 0 "[ . 1 . 2]" 1
425 1 26 LEU QD 1 28 LYS H . . 5.300 4.902 4.431 5.250 . 0 0 "[ . 1 . 2]" 1
426 1 26 LEU QD 1 29 ARG H . . 4.060 3.876 3.612 4.090 0.030 15 0 "[ . 1 . 2]" 1
427 1 26 LEU QD 1 29 ARG HB2 . . 3.670 2.839 2.460 3.096 . 0 0 "[ . 1 . 2]" 1
428 1 26 LEU QD 1 29 ARG QD . . 3.960 3.471 2.713 3.966 0.006 7 0 "[ . 1 . 2]" 1
429 1 26 LEU QD 1 30 LEU H . . 4.390 3.697 3.555 3.902 . 0 0 "[ . 1 . 2]" 1
430 1 26 LEU QD 1 30 LEU QD . . 3.110 2.172 1.877 2.456 . 0 0 "[ . 1 . 2]" 1
431 1 26 LEU QD 1 30 LEU HG . . 4.090 2.287 1.904 3.968 . 0 0 "[ . 1 . 2]" 1
432 1 26 LEU QD 1 67 MET HA . . 3.600 3.134 2.261 3.574 . 0 0 "[ . 1 . 2]" 1
433 1 26 LEU QD 1 67 MET QB . . 3.490 2.111 1.886 2.781 . 0 0 "[ . 1 . 2]" 1
434 1 26 LEU QD 1 67 MET QG . . 3.980 2.947 2.021 3.984 0.004 15 0 "[ . 1 . 2]" 1
435 1 26 LEU QD 1 70 THR H . . 5.440 4.397 3.718 4.914 . 0 0 "[ . 1 . 2]" 1
436 1 26 LEU QD 1 70 THR HB . . 3.800 3.287 1.978 3.771 . 0 0 "[ . 1 . 2]" 1
437 1 26 LEU QD 1 71 GLU H . . 3.820 3.166 2.387 3.564 . 0 0 "[ . 1 . 2]" 1
438 1 26 LEU QD 1 71 GLU HA . . 3.350 2.826 2.360 3.336 . 0 0 "[ . 1 . 2]" 1
439 1 26 LEU QD 1 71 GLU QB . . 4.100 1.924 1.721 2.225 . 0 0 "[ . 1 . 2]" 1
440 1 26 LEU QD 1 71 GLU QG . . 3.020 2.195 1.774 2.671 . 0 0 "[ . 1 . 2]" 1
441 1 26 LEU QD 1 75 PHE QD . . 3.800 2.645 1.918 3.718 . 0 0 "[ . 1 . 2]" 1
442 1 26 LEU QD 1 75 PHE QE . . 3.390 2.544 1.922 3.447 0.057 14 0 "[ . 1 . 2]" 1
443 1 26 LEU MD1 1 27 GLY HA2 . . 5.210 4.375 2.826 4.937 . 0 0 "[ . 1 . 2]" 1
444 1 26 LEU MD1 1 27 GLY HA3 . . 5.500 5.258 3.844 5.655 0.155 13 0 "[ . 1 . 2]" 1
445 1 26 LEU MD1 1 70 THR HB . . 4.390 3.816 1.993 4.394 0.004 7 0 "[ . 1 . 2]" 1
446 1 26 LEU MD1 1 71 GLU H . . 4.430 3.641 2.800 4.257 . 0 0 "[ . 1 . 2]" 1
447 1 26 LEU MD1 1 71 GLU HA . . 4.690 3.437 2.420 4.301 . 0 0 "[ . 1 . 2]" 1
448 1 26 LEU MD1 1 71 GLU HB2 . . 5.500 2.360 1.914 3.437 . 0 0 "[ . 1 . 2]" 1
449 1 26 LEU MD1 1 71 GLU HB3 . . 5.500 3.664 3.132 4.773 . 0 0 "[ . 1 . 2]" 1
450 1 26 LEU MD1 1 72 LYS H . . 5.500 5.147 4.731 5.525 0.025 15 0 "[ . 1 . 2]" 1
451 1 26 LEU MD2 1 27 GLY HA2 . . 5.210 4.141 3.270 4.741 . 0 0 "[ . 1 . 2]" 1
452 1 26 LEU MD2 1 27 GLY HA3 . . 5.500 5.103 4.420 5.528 0.028 15 0 "[ . 1 . 2]" 1
453 1 26 LEU MD2 1 70 THR HB . . 4.390 3.710 2.651 4.393 0.003 13 0 "[ . 1 . 2]" 1
454 1 26 LEU MD2 1 71 GLU H . . 4.430 3.617 2.442 4.335 . 0 0 "[ . 1 . 2]" 1
455 1 26 LEU MD2 1 71 GLU HA . . 4.690 3.336 2.479 4.565 . 0 0 "[ . 1 . 2]" 1
456 1 26 LEU MD2 1 71 GLU HB2 . . 5.500 2.269 1.878 2.874 . 0 0 "[ . 1 . 2]" 1
457 1 26 LEU MD2 1 71 GLU HB3 . . 5.500 3.660 3.133 4.161 . 0 0 "[ . 1 . 2]" 1
458 1 26 LEU MD2 1 72 LYS H . . 5.500 5.177 4.615 5.542 0.042 13 0 "[ . 1 . 2]" 1
459 1 27 GLY H 1 28 LYS H . . 3.020 2.823 2.610 2.967 . 0 0 "[ . 1 . 2]" 1
460 1 27 GLY H 1 29 ARG H . . 4.310 4.089 3.931 4.326 0.016 4 0 "[ . 1 . 2]" 1
461 1 27 GLY HA2 1 30 LEU H . . 3.940 3.062 2.899 3.255 . 0 0 "[ . 1 . 2]" 1
462 1 27 GLY HA2 1 30 LEU QD . . 4.330 2.265 2.006 2.518 . 0 0 "[ . 1 . 2]" 1
463 1 27 GLY HA2 1 30 LEU HG . . 4.520 3.220 2.523 3.504 . 0 0 "[ . 1 . 2]" 1
464 1 27 GLY HA3 1 28 LYS HA . . 4.430 4.329 4.306 4.376 . 0 0 "[ . 1 . 2]" 1
465 1 27 GLY HA3 1 28 LYS QB . . 5.340 4.693 4.429 5.089 . 0 0 "[ . 1 . 2]" 1
466 1 27 GLY HA3 1 29 ARG H . . 4.480 4.339 4.208 4.490 0.010 6 0 "[ . 1 . 2]" 1
467 1 27 GLY HA3 1 30 LEU QD . . 4.150 3.624 3.197 3.888 . 0 0 "[ . 1 . 2]" 1
468 1 27 GLY HA3 1 30 LEU HG . . 5.500 4.890 4.194 5.216 . 0 0 "[ . 1 . 2]" 1
469 1 28 LYS H 1 29 ARG H . . 3.040 2.712 2.555 2.787 . 0 0 "[ . 1 . 2]" 1
470 1 28 LYS H 1 29 ARG HG3 . . 4.550 4.330 4.005 4.580 0.030 5 0 "[ . 1 . 2]" 1
471 1 28 LYS H 1 30 LEU H . . 4.060 3.972 3.896 4.034 . 0 0 "[ . 1 . 2]" 1
472 1 28 LYS H 1 30 LEU QD . . 5.440 5.086 4.558 5.354 . 0 0 "[ . 1 . 2]" 1
473 1 28 LYS H 1 31 TYR QD . . 5.500 4.413 4.121 4.848 . 0 0 "[ . 1 . 2]" 1
474 1 28 LYS H 1 31 TYR QE . . 5.500 5.017 4.671 5.543 0.043 20 0 "[ . 1 . 2]" 1
475 1 28 LYS HA 1 31 TYR HB3 . . 4.380 4.278 3.942 4.421 0.041 13 0 "[ . 1 . 2]" 1
476 1 28 LYS HA 1 31 TYR QD . . 3.380 2.093 1.970 2.407 . 0 0 "[ . 1 . 2]" 1
477 1 28 LYS HA 1 31 TYR QE . . 3.960 2.366 1.994 2.941 . 0 0 "[ . 1 . 2]" 1
478 1 28 LYS QB 1 31 TYR QD . . 4.660 4.038 3.769 4.422 . 0 0 "[ . 1 . 2]" 1
479 1 29 ARG H 1 29 ARG HB2 . . 2.810 2.539 2.326 2.682 . 0 0 "[ . 1 . 2]" 1
480 1 29 ARG H 1 29 ARG HB3 . . 3.660 3.645 3.585 3.663 0.003 18 0 "[ . 1 . 2]" 1
481 1 29 ARG H 1 29 ARG HG3 . . 3.390 2.445 2.141 2.849 . 0 0 "[ . 1 . 2]" 1
482 1 29 ARG H 1 30 LEU H . . 3.090 2.239 2.214 2.254 . 0 0 "[ . 1 . 2]" 1
483 1 29 ARG H 1 30 LEU MD1 . . 5.500 5.124 4.907 5.649 0.149 20 0 "[ . 1 . 2]" 1
484 1 29 ARG H 1 30 LEU QD . . 4.780 4.542 3.504 4.747 . 0 0 "[ . 1 . 2]" 1
485 1 29 ARG H 1 30 LEU MD2 . . 5.500 5.225 3.542 5.527 0.027 19 0 "[ . 1 . 2]" 1
486 1 29 ARG HA 1 29 ARG HD2 . . 4.940 4.713 4.377 4.927 . 0 0 "[ . 1 . 2]" 1
487 1 29 ARG HA 1 29 ARG QD . . 4.200 3.998 3.758 4.187 . 0 0 "[ . 1 . 2]" 1
488 1 29 ARG HA 1 29 ARG HD3 . . 4.940 4.335 3.950 4.661 . 0 0 "[ . 1 . 2]" 1
489 1 29 ARG HA 1 29 ARG HG3 . . 3.610 3.211 2.757 3.509 . 0 0 "[ . 1 . 2]" 1
490 1 29 ARG HB2 1 29 ARG HD2 . . 3.790 2.749 2.238 3.679 . 0 0 "[ . 1 . 2]" 1
491 1 29 ARG HB2 1 29 ARG QD . . 3.190 2.446 2.201 2.654 . 0 0 "[ . 1 . 2]" 1
492 1 29 ARG HB2 1 29 ARG HD3 . . 3.790 3.013 2.374 3.709 . 0 0 "[ . 1 . 2]" 1
493 1 29 ARG HB2 1 75 PHE QE . . 4.880 3.211 2.714 3.839 . 0 0 "[ . 1 . 2]" 1
494 1 29 ARG HB3 1 29 ARG QD . . 3.700 2.391 2.158 3.107 . 0 0 "[ . 1 . 2]" 1
495 1 29 ARG HB3 1 75 PHE QE . . 5.200 3.222 2.092 3.647 . 0 0 "[ . 1 . 2]" 1
496 1 29 ARG QD 1 75 PHE QE . . 4.640 3.960 3.245 4.417 . 0 0 "[ . 1 . 2]" 1
497 1 29 ARG HD2 1 75 PHE QD . . 5.500 4.804 4.053 5.499 . 0 0 "[ . 1 . 2]" 1
498 1 29 ARG HD2 1 75 PHE QE . . 5.500 4.647 4.125 5.439 . 0 0 "[ . 1 . 2]" 1
499 1 29 ARG HD3 1 75 PHE QD . . 5.500 4.693 3.438 5.436 . 0 0 "[ . 1 . 2]" 1
500 1 29 ARG HD3 1 75 PHE QE . . 5.500 4.445 3.366 5.394 . 0 0 "[ . 1 . 2]" 1
501 1 29 ARG HG2 1 75 PHE QE . . 5.500 5.232 4.124 5.534 0.034 10 0 "[ . 1 . 2]" 1
502 1 29 ARG HG3 1 75 PHE QE . . 5.410 5.256 4.662 5.455 0.045 5 0 "[ . 1 . 2]" 1
503 1 30 LEU H 1 30 LEU QB . . 3.490 2.169 2.054 2.298 . 0 0 "[ . 1 . 2]" 1
504 1 30 LEU H 1 30 LEU MD1 . . 4.000 3.828 3.691 3.981 . 0 0 "[ . 1 . 2]" 1
505 1 30 LEU H 1 30 LEU MD2 . . 4.000 3.724 2.425 3.957 . 0 0 "[ . 1 . 2]" 1
506 1 30 LEU H 1 31 TYR H . . 3.600 2.607 2.509 2.784 . 0 0 "[ . 1 . 2]" 1
507 1 30 LEU HA 1 30 LEU MD1 . . 4.070 3.631 1.951 3.837 . 0 0 "[ . 1 . 2]" 1
508 1 30 LEU HA 1 30 LEU QD . . 3.050 1.993 1.883 2.115 . 0 0 "[ . 1 . 2]" 1
509 1 30 LEU HA 1 30 LEU MD2 . . 4.070 2.055 1.954 2.481 . 0 0 "[ . 1 . 2]" 1
510 1 30 LEU HA 1 30 LEU HG . . 3.310 2.929 2.781 3.640 0.330 4 0 "[ . 1 . 2]" 1
511 1 30 LEU HA 1 75 PHE QE . . 4.710 3.317 2.940 3.859 . 0 0 "[ . 1 . 2]" 1
512 1 30 LEU QB 1 32 GLU H . . 5.340 4.273 4.167 4.411 . 0 0 "[ . 1 . 2]" 1
513 1 30 LEU QB 1 33 SER H . . 5.300 4.638 4.500 4.865 . 0 0 "[ . 1 . 2]" 1
514 1 30 LEU HB2 1 31 TYR H . . 3.750 2.621 2.381 2.896 . 0 0 "[ . 1 . 2]" 1
515 1 30 LEU HB3 1 31 TYR H . . 3.750 3.125 2.738 3.539 . 0 0 "[ . 1 . 2]" 1
516 1 30 LEU QD 1 33 SER H . . 4.900 4.617 4.124 4.907 0.007 2 0 "[ . 1 . 2]" 1
517 1 30 LEU QD 1 34 VAL H . . 4.330 4.141 3.783 4.349 0.019 20 0 "[ . 1 . 2]" 1
518 1 30 LEU QD 1 70 THR HB . . 5.440 2.406 1.821 2.999 . 0 0 "[ . 1 . 2]" 1
519 1 30 LEU QD 1 74 PHE QB . . 4.850 4.687 4.020 4.886 0.036 17 0 "[ . 1 . 2]" 1
520 1 30 LEU QD 1 75 PHE QE . . 3.260 2.325 1.877 3.127 . 0 0 "[ . 1 . 2]" 1
521 1 30 LEU MD1 1 70 THR MG . . 3.500 2.902 1.896 3.504 0.004 14 0 "[ . 1 . 2]" 1
522 1 30 LEU MD2 1 70 THR MG . . 3.500 2.207 1.774 3.508 0.008 20 0 "[ . 1 . 2]" 1
523 1 31 TYR H 1 31 TYR HB2 . . 3.590 3.524 3.471 3.585 . 0 0 "[ . 1 . 2]" 1
524 1 31 TYR H 1 31 TYR HB3 . . 3.300 2.237 2.158 2.347 . 0 0 "[ . 1 . 2]" 1
525 1 31 TYR H 1 32 GLU H . . 3.250 2.558 2.374 2.663 . 0 0 "[ . 1 . 2]" 1
526 1 31 TYR H 1 33 SER H . . 4.650 4.001 3.891 4.119 . 0 0 "[ . 1 . 2]" 1
527 1 31 TYR HA 1 31 TYR QD . . 3.780 3.625 3.579 3.653 . 0 0 "[ . 1 . 2]" 1
528 1 31 TYR HA 1 33 SER H . . 4.360 3.716 3.600 3.767 . 0 0 "[ . 1 . 2]" 1
529 1 31 TYR HB2 1 32 GLU H . . 4.420 4.311 4.283 4.352 . 0 0 "[ . 1 . 2]" 1
530 1 31 TYR HB2 1 33 SER H . . 5.500 5.459 5.342 5.510 0.010 16 0 "[ . 1 . 2]" 1
531 1 31 TYR HB3 1 32 GLU H . . 3.940 3.878 3.832 3.924 . 0 0 "[ . 1 . 2]" 1
532 1 31 TYR QD 1 32 GLU H . . 3.660 3.356 3.079 3.516 . 0 0 "[ . 1 . 2]" 1
533 1 31 TYR QD 1 32 GLU HA . . 4.500 3.756 3.597 4.053 . 0 0 "[ . 1 . 2]" 1
534 1 31 TYR QD 1 32 GLU QG . . 4.990 4.321 2.862 4.980 . 0 0 "[ . 1 . 2]" 1
535 1 31 TYR QE 1 32 GLU HA . . 4.980 4.154 4.008 4.373 . 0 0 "[ . 1 . 2]" 1
536 1 32 GLU H 1 32 GLU QB . . 2.880 2.493 2.340 2.623 . 0 0 "[ . 1 . 2]" 1
537 1 32 GLU H 1 32 GLU QG . . 3.180 2.468 2.252 2.686 . 0 0 "[ . 1 . 2]" 1
538 1 32 GLU H 1 33 SER H . . 3.150 2.307 2.268 2.401 . 0 0 "[ . 1 . 2]" 1
539 1 32 GLU HA 1 32 GLU QG . . 3.590 3.153 2.551 3.402 . 0 0 "[ . 1 . 2]" 1
540 1 32 GLU QB 1 33 SER H . . 4.260 3.734 3.233 3.875 . 0 0 "[ . 1 . 2]" 1
541 1 32 GLU QG 1 33 SER H . . 4.170 3.290 2.924 4.259 0.089 16 0 "[ . 1 . 2]" 1
542 1 33 SER H 1 33 SER QB . . 3.150 2.589 2.348 3.046 . 0 0 "[ . 1 . 2]" 1
543 1 33 SER H 1 34 VAL H . . 2.920 1.982 1.889 2.063 . 0 0 "[ . 1 . 2]" 1
544 1 33 SER HB2 1 75 PHE QD . . 5.500 5.239 4.804 5.523 0.023 18 0 "[ . 1 . 2]" 1
545 1 33 SER HB2 1 75 PHE QE . . 4.270 3.187 2.469 3.819 . 0 0 "[ . 1 . 2]" 1
546 1 33 SER HB3 1 75 PHE QD . . 5.500 5.221 4.816 5.509 0.009 5 0 "[ . 1 . 2]" 1
547 1 33 SER HB3 1 75 PHE QE . . 4.270 3.237 2.517 3.662 . 0 0 "[ . 1 . 2]" 1
548 1 35 SER HA 1 36 LYS H . . 3.010 2.586 2.425 2.716 . 0 0 "[ . 1 . 2]" 1
549 1 35 SER QB 1 36 LYS H . . 3.220 2.256 1.988 3.243 0.023 18 0 "[ . 1 . 2]" 1
550 1 35 SER QB 1 37 GLN H . . 3.520 2.419 2.155 3.310 . 0 0 "[ . 1 . 2]" 1
551 1 35 SER QB 1 38 ALA H . . 3.480 3.119 2.463 3.632 0.152 15 0 "[ . 1 . 2]" 1
552 1 35 SER HB2 1 36 LYS H . . 3.720 3.337 2.137 3.718 . 0 0 "[ . 1 . 2]" 1
553 1 35 SER HB3 1 36 LYS H . . 3.720 2.571 2.034 3.811 0.091 15 0 "[ . 1 . 2]" 1
554 1 36 LYS H 1 36 LYS QB . . 3.010 2.209 2.063 2.261 . 0 0 "[ . 1 . 2]" 1
555 1 36 LYS H 1 37 GLN H . . 3.300 2.566 2.383 2.671 . 0 0 "[ . 1 . 2]" 1
556 1 36 LYS H 1 37 GLN HB3 . . 5.160 4.963 4.613 5.167 0.007 20 0 "[ . 1 . 2]" 1
557 1 36 LYS H 1 38 ALA H . . 4.800 4.510 4.147 4.803 0.003 6 0 "[ . 1 . 2]" 1
558 1 36 LYS HA 1 39 TRP H . . 3.880 3.629 3.267 3.857 . 0 0 "[ . 1 . 2]" 1
559 1 36 LYS HA 1 39 TRP HA . . 5.470 5.061 4.583 5.384 . 0 0 "[ . 1 . 2]" 1
560 1 36 LYS HA 1 39 TRP HB2 . . 4.360 2.852 2.374 3.368 . 0 0 "[ . 1 . 2]" 1
561 1 36 LYS HA 1 39 TRP HB3 . . 4.190 2.884 2.363 3.279 . 0 0 "[ . 1 . 2]" 1
562 1 36 LYS HA 1 39 TRP HD1 . . 5.180 4.476 3.683 5.183 0.003 11 0 "[ . 1 . 2]" 1
563 1 36 LYS QB 1 37 GLN H . . 3.260 3.019 2.950 3.054 . 0 0 "[ . 1 . 2]" 1
564 1 37 GLN H 1 37 GLN HB2 . . 3.050 2.571 2.295 2.844 . 0 0 "[ . 1 . 2]" 1
565 1 37 GLN H 1 37 GLN HB3 . . 3.060 2.591 2.370 2.824 . 0 0 "[ . 1 . 2]" 1
566 1 37 GLN H 1 38 ALA H . . 3.290 2.532 2.273 2.754 . 0 0 "[ . 1 . 2]" 1
567 1 37 GLN HA 1 37 GLN HE21 . . 5.500 3.845 2.521 4.697 . 0 0 "[ . 1 . 2]" 1
568 1 37 GLN HA 1 37 GLN HG2 . . 4.140 3.697 3.634 3.835 . 0 0 "[ . 1 . 2]" 1
569 1 37 GLN HA 1 37 GLN HG3 . . 3.320 3.082 2.836 3.300 . 0 0 "[ . 1 . 2]" 1
570 1 37 GLN HA 1 40 GLN HG2 . . 5.040 4.511 3.889 5.041 0.001 14 0 "[ . 1 . 2]" 1
571 1 37 GLN HA 1 40 GLN QG . . 4.270 3.993 3.454 4.256 . 0 0 "[ . 1 . 2]" 1
572 1 37 GLN HA 1 40 GLN HG3 . . 5.040 4.582 3.519 5.041 0.001 3 0 "[ . 1 . 2]" 1
573 1 37 GLN HB2 1 38 ALA H . . 4.030 3.671 3.406 3.939 . 0 0 "[ . 1 . 2]" 1
574 1 37 GLN HB3 1 38 ALA H . . 3.560 2.364 2.049 2.756 . 0 0 "[ . 1 . 2]" 1
575 1 37 GLN HB3 1 38 ALA MB . . 3.890 3.665 3.479 3.897 0.007 11 0 "[ . 1 . 2]" 1
576 1 37 GLN HE22 1 37 GLN HG2 . . 4.050 3.682 3.440 4.031 . 0 0 "[ . 1 . 2]" 1
577 1 37 GLN HG3 1 38 ALA H . . 4.170 3.725 3.143 4.116 . 0 0 "[ . 1 . 2]" 1
578 1 37 GLN HG3 1 38 ALA HA . . 4.320 3.860 3.267 4.324 0.004 19 0 "[ . 1 . 2]" 1
579 1 38 ALA H 1 38 ALA MB . . 2.870 2.212 2.091 2.293 . 0 0 "[ . 1 . 2]" 1
580 1 38 ALA H 1 39 TRP H . . 3.100 2.528 2.301 2.677 . 0 0 "[ . 1 . 2]" 1
581 1 38 ALA H 1 40 GLN H . . 5.250 4.479 4.275 4.653 . 0 0 "[ . 1 . 2]" 1
582 1 38 ALA HA 1 40 GLN H . . 4.150 3.738 3.605 4.143 . 0 0 "[ . 1 . 2]" 1
583 1 38 ALA HA 1 41 ASP H . . 3.450 3.071 2.817 3.312 . 0 0 "[ . 1 . 2]" 1
584 1 38 ALA HA 1 41 ASP HB2 . . 3.940 3.201 2.597 3.921 . 0 0 "[ . 1 . 2]" 1
585 1 38 ALA HA 1 41 ASP QB . . 3.440 2.808 2.180 3.296 . 0 0 "[ . 1 . 2]" 1
586 1 38 ALA HA 1 41 ASP HB3 . . 3.940 3.254 2.209 3.941 0.001 11 0 "[ . 1 . 2]" 1
587 1 38 ALA MB 1 39 TRP H . . 3.330 2.987 2.831 3.162 . 0 0 "[ . 1 . 2]" 1
588 1 38 ALA MB 1 39 TRP HA . . 5.330 3.893 3.793 3.979 . 0 0 "[ . 1 . 2]" 1
589 1 38 ALA MB 1 41 ASP H . . 4.380 4.151 3.949 4.400 0.020 16 0 "[ . 1 . 2]" 1
590 1 38 ALA MB 1 42 TRP H . . 4.640 4.171 3.726 4.639 . 0 0 "[ . 1 . 2]" 1
591 1 39 TRP H 1 39 TRP HB2 . . 3.220 2.606 2.541 2.681 . 0 0 "[ . 1 . 2]" 1
592 1 39 TRP H 1 39 TRP HB3 . . 3.260 2.461 2.393 2.524 . 0 0 "[ . 1 . 2]" 1
593 1 39 TRP H 1 39 TRP HD1 . . 5.250 4.961 4.834 5.019 . 0 0 "[ . 1 . 2]" 1
594 1 39 TRP H 1 40 GLN H . . 3.250 2.786 2.763 2.881 . 0 0 "[ . 1 . 2]" 1
595 1 39 TRP H 1 41 ASP H . . 4.560 4.325 4.031 4.573 0.013 16 0 "[ . 1 . 2]" 1
596 1 39 TRP HA 1 39 TRP HE3 . . 4.320 2.398 1.996 2.865 . 0 0 "[ . 1 . 2]" 1
597 1 39 TRP HA 1 42 TRP H . . 4.170 3.617 3.254 3.995 . 0 0 "[ . 1 . 2]" 1
598 1 39 TRP HA 1 42 TRP QB . . 4.530 2.853 2.186 3.385 . 0 0 "[ . 1 . 2]" 1
599 1 39 TRP HA 1 43 LEU H . . 5.250 4.577 3.742 5.125 . 0 0 "[ . 1 . 2]" 1
600 1 39 TRP HB2 1 40 GLN H . . 4.320 4.063 3.849 4.116 . 0 0 "[ . 1 . 2]" 1
601 1 39 TRP HB3 1 40 GLN H . . 3.540 2.821 2.477 2.913 . 0 0 "[ . 1 . 2]" 1
602 1 39 TRP HD1 1 40 GLN H . . 4.560 4.165 3.551 4.563 0.003 10 0 "[ . 1 . 2]" 1
603 1 39 TRP HD1 1 40 GLN HA . . 5.500 4.131 3.419 4.777 . 0 0 "[ . 1 . 2]" 1
604 1 39 TRP HD1 1 40 GLN HG2 . . 5.500 3.439 2.810 3.930 . 0 0 "[ . 1 . 2]" 1
605 1 39 TRP HD1 1 40 GLN QG . . 4.720 3.380 2.778 3.849 . 0 0 "[ . 1 . 2]" 1
606 1 39 TRP HD1 1 40 GLN HG3 . . 5.500 4.999 4.375 5.509 0.009 14 0 "[ . 1 . 2]" 1
607 1 39 TRP HD1 1 43 LEU QD . . 3.750 3.254 2.313 3.754 0.004 15 0 "[ . 1 . 2]" 1
608 1 39 TRP HZ2 1 43 LEU MD1 . . 4.630 4.208 3.677 4.644 0.014 16 0 "[ . 1 . 2]" 1
609 1 39 TRP HZ2 1 43 LEU QD . . 3.500 3.174 2.562 3.505 0.005 13 0 "[ . 1 . 2]" 1
610 1 39 TRP HZ2 1 43 LEU MD2 . . 4.630 3.326 2.597 3.921 . 0 0 "[ . 1 . 2]" 1
611 1 40 GLN H 1 40 GLN HB2 . . 3.110 2.423 2.253 2.621 . 0 0 "[ . 1 . 2]" 1
612 1 40 GLN H 1 40 GLN HB3 . . 3.630 3.589 3.536 3.627 . 0 0 "[ . 1 . 2]" 1
613 1 40 GLN H 1 40 GLN QE . . 4.920 4.461 3.621 4.920 0.000 6 0 "[ . 1 . 2]" 1
614 1 40 GLN H 1 40 GLN QG . . 3.380 2.421 2.104 2.716 . 0 0 "[ . 1 . 2]" 1
615 1 40 GLN H 1 41 ASP H . . 3.210 2.550 2.247 2.771 . 0 0 "[ . 1 . 2]" 1
616 1 40 GLN H 1 41 ASP QB . . 5.290 4.297 4.028 4.508 . 0 0 "[ . 1 . 2]" 1
617 1 40 GLN H 1 42 TRP H . . 4.600 3.957 3.687 4.265 . 0 0 "[ . 1 . 2]" 1
618 1 40 GLN H 1 43 LEU QD . . 4.290 4.087 3.765 4.292 0.002 3 0 "[ . 1 . 2]" 1
619 1 40 GLN HA 1 40 GLN QG . . 3.650 2.725 2.384 2.890 . 0 0 "[ . 1 . 2]" 1
620 1 40 GLN HA 1 42 TRP QB . . 5.050 4.907 4.397 5.070 0.020 5 0 "[ . 1 . 2]" 1
621 1 40 GLN HA 1 43 LEU H . . 3.790 3.530 3.314 3.797 0.007 16 0 "[ . 1 . 2]" 1
622 1 40 GLN HA 1 43 LEU QB . . 4.060 3.341 2.579 4.057 . 0 0 "[ . 1 . 2]" 1
623 1 40 GLN HA 1 43 LEU MD1 . . 4.490 2.547 1.911 3.975 . 0 0 "[ . 1 . 2]" 1
624 1 40 GLN HA 1 43 LEU QD . . 3.450 2.066 1.909 2.356 . 0 0 "[ . 1 . 2]" 1
625 1 40 GLN HA 1 43 LEU MD2 . . 4.490 3.848 1.929 4.505 0.015 3 0 "[ . 1 . 2]" 1
626 1 40 GLN HA 1 43 LEU HG . . 4.160 3.162 2.625 3.682 . 0 0 "[ . 1 . 2]" 1
627 1 40 GLN HA 1 44 LYS H . . 4.860 4.663 4.168 4.867 0.007 3 0 "[ . 1 . 2]" 1
628 1 40 GLN HB2 1 41 ASP H . . 3.470 2.651 2.364 2.931 . 0 0 "[ . 1 . 2]" 1
629 1 40 GLN HB2 1 41 ASP HA . . 5.200 4.364 4.060 4.583 . 0 0 "[ . 1 . 2]" 1
630 1 40 GLN HB3 1 41 ASP HA . . 5.370 4.359 4.089 4.608 . 0 0 "[ . 1 . 2]" 1
631 1 40 GLN HB3 1 44 LYS H . . 5.500 5.471 5.340 5.516 0.016 15 0 "[ . 1 . 2]" 1
632 1 40 GLN QE 1 43 LEU QD . . 3.790 2.997 1.943 3.578 . 0 0 "[ . 1 . 2]" 1
633 1 40 GLN QG 1 41 ASP H . . 5.080 4.083 3.748 4.315 . 0 0 "[ . 1 . 2]" 1
634 1 40 GLN QG 1 43 LEU QD . . 4.340 3.607 3.007 4.111 . 0 0 "[ . 1 . 2]" 1
635 1 41 ASP H 1 41 ASP HB2 . . 3.240 2.385 2.130 2.812 . 0 0 "[ . 1 . 2]" 1
636 1 41 ASP H 1 41 ASP QB . . 2.820 2.205 2.092 2.276 . 0 0 "[ . 1 . 2]" 1
637 1 41 ASP H 1 41 ASP HB3 . . 3.240 2.718 2.288 3.056 . 0 0 "[ . 1 . 2]" 1
638 1 41 ASP H 1 44 LYS H . . 5.050 4.901 4.717 5.060 0.010 9 0 "[ . 1 . 2]" 1
639 1 41 ASP HA 1 42 TRP HA . . 5.010 4.769 4.680 4.851 . 0 0 "[ . 1 . 2]" 1
640 1 41 ASP HA 1 43 LEU H . . 4.920 4.242 3.772 4.918 . 0 0 "[ . 1 . 2]" 1
641 1 41 ASP HA 1 44 LYS H . . 3.850 3.396 3.062 3.683 . 0 0 "[ . 1 . 2]" 1
642 1 41 ASP HA 1 44 LYS QB . . 3.680 2.666 2.209 3.304 . 0 0 "[ . 1 . 2]" 1
643 1 41 ASP HA 1 45 GLN H . . 5.480 4.587 3.942 5.403 . 0 0 "[ . 1 . 2]" 1
644 1 41 ASP QB 1 42 TRP H . . 3.970 2.756 2.478 3.025 . 0 0 "[ . 1 . 2]" 1
645 1 41 ASP QB 1 44 LYS H . . 5.340 4.916 4.690 5.099 . 0 0 "[ . 1 . 2]" 1
646 1 42 TRP H 1 42 TRP QB . . 3.140 2.243 2.083 2.472 . 0 0 "[ . 1 . 2]" 1
647 1 42 TRP H 1 43 LEU QD . . 5.440 4.472 4.305 4.738 . 0 0 "[ . 1 . 2]" 1
648 1 42 TRP H 1 44 LYS H . . 4.260 3.936 3.462 4.220 . 0 0 "[ . 1 . 2]" 1
649 1 42 TRP HA 1 44 LYS H . . 4.340 4.061 3.862 4.328 . 0 0 "[ . 1 . 2]" 1
650 1 42 TRP HA 1 45 GLN H . . 4.150 3.867 3.484 4.162 0.012 20 0 "[ . 1 . 2]" 1
651 1 42 TRP HA 1 45 GLN HG2 . . 5.020 2.812 2.269 3.762 . 0 0 "[ . 1 . 2]" 1
652 1 42 TRP HA 1 45 GLN QG . . 4.180 2.672 2.251 3.431 . 0 0 "[ . 1 . 2]" 1
653 1 42 TRP HA 1 45 GLN HG3 . . 5.020 3.797 2.558 4.321 . 0 0 "[ . 1 . 2]" 1
654 1 42 TRP HA 1 46 GLN H . . 5.200 4.400 3.924 5.197 . 0 0 "[ . 1 . 2]" 1
655 1 42 TRP QB 1 43 LEU H . . 3.350 2.731 2.412 3.061 . 0 0 "[ . 1 . 2]" 1
656 1 42 TRP QB 1 44 LYS H . . 5.050 4.603 4.170 4.826 . 0 0 "[ . 1 . 2]" 1
657 1 42 TRP HB2 1 43 LEU H . . 4.220 3.669 2.593 4.185 . 0 0 "[ . 1 . 2]" 1
658 1 42 TRP HB3 1 43 LEU H . . 4.220 2.976 2.456 3.900 . 0 0 "[ . 1 . 2]" 1
659 1 43 LEU H 1 43 LEU HB2 . . 3.640 2.770 2.302 3.593 . 0 0 "[ . 1 . 2]" 1
660 1 43 LEU H 1 43 LEU QB . . 3.150 2.421 2.260 2.593 . 0 0 "[ . 1 . 2]" 1
661 1 43 LEU H 1 43 LEU HB3 . . 3.640 3.282 2.287 3.644 0.004 3 0 "[ . 1 . 2]" 1
662 1 43 LEU H 1 43 LEU MD1 . . 4.040 3.553 3.109 4.044 0.004 17 0 "[ . 1 . 2]" 1
663 1 43 LEU H 1 43 LEU QD . . 3.460 3.074 2.903 3.240 . 0 0 "[ . 1 . 2]" 1
664 1 43 LEU H 1 43 LEU MD2 . . 4.040 3.477 3.039 3.969 . 0 0 "[ . 1 . 2]" 1
665 1 43 LEU H 1 43 LEU HG . . 3.220 2.402 1.948 2.746 . 0 0 "[ . 1 . 2]" 1
666 1 43 LEU H 1 44 LYS H . . 3.370 2.481 2.262 2.665 . 0 0 "[ . 1 . 2]" 1
667 1 43 LEU H 1 44 LYS HA . . 5.500 5.071 4.903 5.246 . 0 0 "[ . 1 . 2]" 1
668 1 43 LEU H 1 45 GLN H . . 4.740 4.593 4.052 4.752 0.012 12 0 "[ . 1 . 2]" 1
669 1 43 LEU HA 1 43 LEU MD1 . . 4.160 3.817 3.404 3.978 . 0 0 "[ . 1 . 2]" 1
670 1 43 LEU HA 1 43 LEU QD . . 3.350 2.551 1.958 3.337 . 0 0 "[ . 1 . 2]" 1
671 1 43 LEU HA 1 43 LEU MD2 . . 4.160 2.761 1.964 4.113 . 0 0 "[ . 1 . 2]" 1
672 1 43 LEU HA 1 45 GLN H . . 4.920 4.720 4.175 4.929 0.009 8 0 "[ . 1 . 2]" 1
673 1 43 LEU HA 1 46 GLN H . . 3.730 3.431 3.205 3.600 . 0 0 "[ . 1 . 2]" 1
674 1 43 LEU HA 1 46 GLN HB2 . . 3.840 2.160 1.991 2.381 . 0 0 "[ . 1 . 2]" 1
675 1 43 LEU HA 1 46 GLN HB3 . . 3.900 3.368 2.996 3.888 . 0 0 "[ . 1 . 2]" 1
676 1 43 LEU HA 1 46 GLN QG . . 4.850 3.545 2.867 3.995 . 0 0 "[ . 1 . 2]" 1
677 1 43 LEU QB 1 44 LYS H . . 4.400 3.050 2.678 3.731 . 0 0 "[ . 1 . 2]" 1
678 1 43 LEU QB 1 46 GLN H . . 5.180 4.844 4.683 5.067 . 0 0 "[ . 1 . 2]" 1
679 1 43 LEU QD 1 44 LYS H . . 4.260 3.921 3.039 4.254 . 0 0 "[ . 1 . 2]" 1
680 1 43 LEU QD 1 46 GLN H . . 5.370 4.943 4.584 5.274 . 0 0 "[ . 1 . 2]" 1
681 1 43 LEU QD 1 46 GLN HB2 . . 4.560 3.818 3.130 4.473 . 0 0 "[ . 1 . 2]" 1
682 1 43 LEU QD 1 46 GLN HB3 . . 4.740 4.200 3.341 4.748 0.008 12 0 "[ . 1 . 2]" 1
683 1 43 LEU QD 1 47 THR H . . 5.440 5.076 4.092 5.452 0.012 15 0 "[ . 1 . 2]" 1
684 1 43 LEU MD1 1 44 LYS H . . 5.000 4.252 3.160 4.860 . 0 0 "[ . 1 . 2]" 1
685 1 43 LEU MD2 1 44 LYS H . . 5.000 4.635 3.944 4.947 . 0 0 "[ . 1 . 2]" 1
686 1 43 LEU HG 1 44 LYS H . . 4.730 3.910 2.322 4.673 . 0 0 "[ . 1 . 2]" 1
687 1 44 LYS H 1 44 LYS QB . . 3.040 2.186 2.038 2.468 . 0 0 "[ . 1 . 2]" 1
688 1 44 LYS H 1 44 LYS QD . . 4.440 4.173 3.006 4.456 0.016 18 0 "[ . 1 . 2]" 1
689 1 44 LYS H 1 44 LYS QG . . 3.840 3.441 2.116 3.988 0.148 3 0 "[ . 1 . 2]" 1
690 1 44 LYS H 1 46 GLN H . . 4.120 3.813 3.624 4.008 . 0 0 "[ . 1 . 2]" 1
691 1 44 LYS H 1 47 THR H . . 5.360 5.064 4.891 5.246 . 0 0 "[ . 1 . 2]" 1
692 1 44 LYS HA 1 44 LYS QD . . 3.930 2.649 2.115 3.933 0.003 14 0 "[ . 1 . 2]" 1
693 1 44 LYS HA 1 44 LYS QE . . 4.320 3.693 2.194 4.325 0.005 14 0 "[ . 1 . 2]" 1
694 1 44 LYS HA 1 44 LYS QG . . 3.220 2.572 2.005 3.121 . 0 0 "[ . 1 . 2]" 1
695 1 44 LYS HA 1 47 THR H . . 4.300 3.945 3.730 4.094 . 0 0 "[ . 1 . 2]" 1
696 1 44 LYS HA 1 47 THR HB . . 3.950 3.934 3.772 3.968 0.018 5 0 "[ . 1 . 2]" 1
697 1 44 LYS HA 1 47 THR MG . . 5.250 5.209 5.080 5.263 0.013 17 0 "[ . 1 . 2]" 1
698 1 44 LYS QB 1 44 LYS QE . . 4.290 3.024 1.951 3.774 . 0 0 "[ . 1 . 2]" 1
699 1 44 LYS QB 1 45 GLN H . . 3.110 2.331 2.105 2.675 . 0 0 "[ . 1 . 2]" 1
700 1 44 LYS QE 1 44 LYS QG . . 3.110 2.260 1.943 2.634 . 0 0 "[ . 1 . 2]" 1
701 1 45 GLN H 1 45 GLN HB3 . . 2.830 2.464 2.348 2.632 . 0 0 "[ . 1 . 2]" 1
702 1 45 GLN H 1 45 GLN HG2 . . 3.700 2.589 2.267 3.356 . 0 0 "[ . 1 . 2]" 1
703 1 45 GLN H 1 45 GLN QG . . 3.240 2.281 1.994 2.522 . 0 0 "[ . 1 . 2]" 1
704 1 45 GLN H 1 45 GLN HG3 . . 3.700 3.068 2.022 3.518 . 0 0 "[ . 1 . 2]" 1
705 1 45 GLN H 1 46 GLN H . . 3.080 2.584 2.369 2.678 . 0 0 "[ . 1 . 2]" 1
706 1 45 GLN H 1 46 GLN HB2 . . 4.490 4.364 4.130 4.470 . 0 0 "[ . 1 . 2]" 1
707 1 45 GLN H 1 47 THR H . . 4.630 4.432 4.160 4.641 0.011 2 0 "[ . 1 . 2]" 1
708 1 45 GLN HA 1 45 GLN HG2 . . 4.080 3.935 3.810 4.225 0.145 5 0 "[ . 1 . 2]" 1
709 1 45 GLN HA 1 45 GLN QG . . 3.480 3.352 3.325 3.425 . 0 0 "[ . 1 . 2]" 1
710 1 45 GLN HA 1 45 GLN HG3 . . 4.080 3.644 3.574 3.672 . 0 0 "[ . 1 . 2]" 1
711 1 45 GLN HA 1 47 THR H . . 4.660 4.206 3.944 4.641 . 0 0 "[ . 1 . 2]" 1
712 1 45 GLN HA 1 48 MET H . . 3.630 3.134 2.900 3.386 . 0 0 "[ . 1 . 2]" 1
713 1 45 GLN HA 1 48 MET HB2 . . 5.100 2.240 1.989 4.289 . 0 0 "[ . 1 . 2]" 1
714 1 45 GLN HA 1 48 MET QB . . 4.380 2.156 1.975 3.034 . 0 0 "[ . 1 . 2]" 1
715 1 45 GLN HA 1 48 MET HB3 . . 5.100 3.557 2.811 3.973 . 0 0 "[ . 1 . 2]" 1
716 1 45 GLN HA 1 49 LEU H . . 4.560 3.852 3.234 4.329 . 0 0 "[ . 1 . 2]" 1
717 1 45 GLN HA 1 49 LEU QD . . 3.890 3.340 2.631 3.899 0.009 9 0 "[ . 1 . 2]" 1
718 1 45 GLN QE 1 46 GLN QG . . 4.750 4.204 3.564 4.551 . 0 0 "[ . 1 . 2]" 1
719 1 45 GLN QE 1 49 LEU QD . . 4.810 3.163 2.235 3.896 . 0 0 "[ . 1 . 2]" 1
720 1 45 GLN QE 1 66 LEU HA . . 4.710 4.443 3.765 4.719 0.009 18 0 "[ . 1 . 2]" 1
721 1 45 GLN QE 1 66 LEU QD . . 4.380 2.928 2.229 3.624 . 0 0 "[ . 1 . 2]" 1
722 1 45 GLN QE 1 69 GLN H . . 4.600 4.418 3.939 4.625 0.025 12 0 "[ . 1 . 2]" 1
723 1 45 GLN QE 1 69 GLN HA . . 4.540 4.271 3.716 4.561 0.021 20 0 "[ . 1 . 2]" 1
724 1 45 GLN QE 1 69 GLN QB . . 4.060 2.177 1.915 2.625 . 0 0 "[ . 1 . 2]" 1
725 1 45 GLN QE 1 69 GLN QG . . 3.490 2.921 1.859 3.503 0.013 1 0 "[ . 1 . 2]" 1
726 1 45 GLN HE21 1 69 GLN H . . 5.330 5.288 5.142 5.355 0.025 17 0 "[ . 1 . 2]" 1
727 1 45 GLN HE22 1 69 GLN H . . 5.330 4.791 4.054 5.210 . 0 0 "[ . 1 . 2]" 1
728 1 45 GLN QG 1 46 GLN H . . 4.890 2.215 1.933 2.490 . 0 0 "[ . 1 . 2]" 1
729 1 45 GLN QG 1 47 THR H . . 4.970 4.593 4.462 4.784 . 0 0 "[ . 1 . 2]" 1
730 1 45 GLN QG 1 49 LEU QD . . 3.990 3.628 2.935 4.011 0.021 20 0 "[ . 1 . 2]" 1
731 1 46 GLN H 1 46 GLN HB2 . . 3.320 2.076 2.063 2.101 . 0 0 "[ . 1 . 2]" 1
732 1 46 GLN H 1 46 GLN HB3 . . 3.370 3.329 3.230 3.402 0.032 9 0 "[ . 1 . 2]" 1
733 1 46 GLN H 1 47 THR H . . 3.280 2.824 2.653 2.892 . 0 0 "[ . 1 . 2]" 1
734 1 46 GLN H 1 47 THR HA . . 5.500 5.408 5.279 5.451 . 0 0 "[ . 1 . 2]" 1
735 1 46 GLN H 1 47 THR HB . . 5.500 5.085 4.919 5.151 . 0 0 "[ . 1 . 2]" 1
736 1 46 GLN H 1 48 MET H . . 4.660 4.083 3.749 4.364 . 0 0 "[ . 1 . 2]" 1
737 1 46 GLN HA 1 46 GLN HG2 . . 4.080 2.347 2.019 2.875 . 0 0 "[ . 1 . 2]" 1
738 1 46 GLN HA 1 46 GLN HG3 . . 4.080 2.796 2.170 3.481 . 0 0 "[ . 1 . 2]" 1
739 1 46 GLN HA 1 47 THR H . . 3.560 3.541 3.514 3.567 0.007 2 0 "[ . 1 . 2]" 1
740 1 46 GLN HA 1 47 THR HA . . 4.970 4.694 4.639 4.761 . 0 0 "[ . 1 . 2]" 1
741 1 46 GLN HA 1 48 MET H . . 5.020 4.569 4.240 4.847 . 0 0 "[ . 1 . 2]" 1
742 1 46 GLN HA 1 49 LEU H . . 4.290 3.909 3.674 4.290 . 0 0 "[ . 1 . 2]" 1
743 1 46 GLN HA 1 49 LEU HB2 . . 4.300 3.322 2.858 3.649 . 0 0 "[ . 1 . 2]" 1
744 1 46 GLN HA 1 49 LEU HB3 . . 5.300 4.830 4.227 5.295 . 0 0 "[ . 1 . 2]" 1
745 1 46 GLN HA 1 49 LEU QD . . 4.120 3.891 2.988 4.154 0.034 15 0 "[ . 1 . 2]" 1
746 1 46 GLN HA 1 50 ILE H . . 5.000 4.397 3.911 4.824 . 0 0 "[ . 1 . 2]" 1
747 1 46 GLN HA 1 66 LEU MD1 . . 4.610 2.918 2.003 3.833 . 0 0 "[ . 1 . 2]" 1
748 1 46 GLN HA 1 66 LEU QD . . 3.730 2.007 1.740 2.880 . 0 0 "[ . 1 . 2]" 1
749 1 46 GLN HA 1 66 LEU MD2 . . 4.610 2.071 1.880 3.253 . 0 0 "[ . 1 . 2]" 1
750 1 46 GLN HB2 1 47 THR H . . 3.730 3.089 2.910 3.294 . 0 0 "[ . 1 . 2]" 1
751 1 46 GLN HB2 1 47 THR HB . . 5.500 5.378 5.248 5.531 0.031 16 0 "[ . 1 . 2]" 1
752 1 46 GLN HB3 1 47 THR H . . 3.500 2.891 2.525 3.089 . 0 0 "[ . 1 . 2]" 1
753 1 46 GLN HB3 1 47 THR HA . . 5.500 3.917 3.829 4.016 . 0 0 "[ . 1 . 2]" 1
754 1 46 GLN HB3 1 48 MET H . . 5.260 5.102 4.714 5.285 0.025 16 0 "[ . 1 . 2]" 1
755 1 46 GLN QG 1 66 LEU QD . . 3.740 1.850 1.667 2.270 . 0 0 "[ . 1 . 2]" 1
756 1 47 THR H 1 47 THR HB . . 2.970 2.489 2.467 2.509 . 0 0 "[ . 1 . 2]" 1
757 1 47 THR H 1 47 THR MG . . 3.840 3.773 3.765 3.788 . 0 0 "[ . 1 . 2]" 1
758 1 47 THR H 1 48 MET H . . 3.080 2.455 2.264 2.712 . 0 0 "[ . 1 . 2]" 1
759 1 47 THR H 1 48 MET QB . . 4.590 4.317 4.033 4.488 . 0 0 "[ . 1 . 2]" 1
760 1 47 THR H 1 49 LEU H . . 4.060 4.062 3.764 4.101 0.041 3 0 "[ . 1 . 2]" 1
761 1 47 THR HA 1 47 THR MG . . 2.930 2.368 2.322 2.412 . 0 0 "[ . 1 . 2]" 1
762 1 47 THR HA 1 50 ILE H . . 3.980 3.385 3.248 3.594 . 0 0 "[ . 1 . 2]" 1
763 1 47 THR HA 1 50 ILE HB . . 3.590 2.668 2.484 2.806 . 0 0 "[ . 1 . 2]" 1
764 1 47 THR HA 1 50 ILE MD . . 3.800 2.493 1.980 2.990 . 0 0 "[ . 1 . 2]" 1
765 1 47 THR HA 1 50 ILE MG . . 4.170 4.072 3.909 4.179 0.009 16 0 "[ . 1 . 2]" 1
766 1 47 THR HA 1 51 ASN H . . 4.200 3.960 3.650 4.211 0.011 17 0 "[ . 1 . 2]" 1
767 1 47 THR HB 1 48 MET QB . . 5.160 4.588 3.999 4.933 . 0 0 "[ . 1 . 2]" 1
768 1 47 THR HB 1 48 MET QG . . 5.340 3.921 3.374 5.128 . 0 0 "[ . 1 . 2]" 1
769 1 47 THR HB 1 50 ILE MD . . 5.500 5.009 4.626 5.426 . 0 0 "[ . 1 . 2]" 1
770 1 47 THR MG 1 48 MET H . . 3.720 3.538 3.250 3.729 0.009 14 0 "[ . 1 . 2]" 1
771 1 47 THR MG 1 50 ILE HB . . 4.570 3.595 3.170 4.055 . 0 0 "[ . 1 . 2]" 1
772 1 47 THR MG 1 51 ASN H . . 4.860 3.809 3.689 3.963 . 0 0 "[ . 1 . 2]" 1
773 1 47 THR MG 1 51 ASN HD21 . . 3.420 2.564 2.290 2.845 . 0 0 "[ . 1 . 2]" 1
774 1 47 THR MG 1 51 ASN HD22 . . 3.390 2.199 1.945 2.322 . 0 0 "[ . 1 . 2]" 1
775 1 47 THR MG 1 52 GLU H . . 5.500 5.458 5.318 5.514 0.014 5 0 "[ . 1 . 2]" 1
776 1 48 MET H 1 48 MET HB2 . . 3.770 2.357 2.106 3.522 . 0 0 "[ . 1 . 2]" 1
777 1 48 MET H 1 48 MET QB . . 3.260 2.263 2.088 2.470 . 0 0 "[ . 1 . 2]" 1
778 1 48 MET H 1 48 MET HB3 . . 3.770 3.445 2.234 3.598 . 0 0 "[ . 1 . 2]" 1
779 1 48 MET H 1 49 LEU H . . 3.150 2.662 2.477 2.812 . 0 0 "[ . 1 . 2]" 1
780 1 48 MET H 1 49 LEU HB2 . . 4.880 4.659 4.355 4.892 0.012 9 0 "[ . 1 . 2]" 1
781 1 48 MET H 1 49 LEU QD . . 5.340 4.084 3.760 4.669 . 0 0 "[ . 1 . 2]" 1
782 1 48 MET H 1 50 ILE H . . 4.560 4.204 4.013 4.534 . 0 0 "[ . 1 . 2]" 1
783 1 48 MET H 1 51 ASN H . . 5.230 4.741 4.594 4.818 . 0 0 "[ . 1 . 2]" 1
784 1 48 MET HA 1 51 ASN H . . 4.560 3.678 3.512 3.936 . 0 0 "[ . 1 . 2]" 1
785 1 48 MET HA 1 51 ASN HB2 . . 3.600 2.894 2.568 3.207 . 0 0 "[ . 1 . 2]" 1
786 1 48 MET HA 1 51 ASN HD21 . . 4.860 4.437 4.164 4.609 . 0 0 "[ . 1 . 2]" 1
787 1 48 MET HA 1 51 ASN HD22 . . 5.500 5.473 5.193 5.524 0.024 2 0 "[ . 1 . 2]" 1
788 1 48 MET HA 1 52 GLU H . . 4.040 3.944 3.738 4.067 0.027 17 0 "[ . 1 . 2]" 1
789 1 49 LEU H 1 49 LEU QD . . 3.570 2.437 2.081 3.308 . 0 0 "[ . 1 . 2]" 1
790 1 49 LEU H 1 49 LEU HG . . 3.800 3.518 2.472 3.922 0.122 20 0 "[ . 1 . 2]" 1
791 1 49 LEU H 1 50 ILE H . . 3.320 2.546 2.307 2.742 . 0 0 "[ . 1 . 2]" 1
792 1 49 LEU H 1 50 ILE HA . . 5.500 5.174 4.978 5.338 . 0 0 "[ . 1 . 2]" 1
793 1 49 LEU H 1 52 GLU H . . 4.620 4.505 4.433 4.635 0.015 15 0 "[ . 1 . 2]" 1
794 1 49 LEU HA 1 49 LEU MD1 . . 3.480 2.824 2.017 3.661 0.181 8 0 "[ . 1 . 2]" 1
795 1 49 LEU HA 1 49 LEU QD . . 2.680 2.122 1.881 2.800 0.120 10 0 "[ . 1 . 2]" 1
796 1 49 LEU HA 1 49 LEU MD2 . . 3.480 2.294 1.933 3.586 0.106 10 0 "[ . 1 . 2]" 1
797 1 49 LEU HA 1 51 ASN H . . 4.530 4.274 4.117 4.459 . 0 0 "[ . 1 . 2]" 1
798 1 49 LEU HA 1 53 ASN HD21 . . 4.010 2.591 2.304 3.052 . 0 0 "[ . 1 . 2]" 1
799 1 49 LEU HA 1 53 ASN HD22 . . 4.140 3.255 2.732 3.726 . 0 0 "[ . 1 . 2]" 1
800 1 49 LEU HB2 1 49 LEU QD . . 2.760 2.356 2.036 2.519 . 0 0 "[ . 1 . 2]" 1
801 1 49 LEU HB2 1 50 ILE H . . 3.220 2.715 2.595 2.957 . 0 0 "[ . 1 . 2]" 1
802 1 49 LEU HB2 1 65 TYR QD . . 5.500 4.964 4.274 5.523 0.023 16 0 "[ . 1 . 2]" 1
803 1 49 LEU HB2 1 65 TYR QE . . 4.550 4.390 3.882 4.570 0.020 16 0 "[ . 1 . 2]" 1
804 1 49 LEU HB2 1 66 LEU QD . . 3.900 2.380 1.907 3.395 . 0 0 "[ . 1 . 2]" 1
805 1 49 LEU HB3 1 50 ILE H . . 3.720 3.320 2.901 3.750 0.030 8 0 "[ . 1 . 2]" 1
806 1 49 LEU HB3 1 52 GLU H . . 5.500 5.291 5.072 5.503 0.003 9 0 "[ . 1 . 2]" 1
807 1 49 LEU HB3 1 53 ASN HD21 . . 4.380 2.899 1.949 3.421 . 0 0 "[ . 1 . 2]" 1
808 1 49 LEU HB3 1 65 TYR QD . . 5.500 3.773 3.335 4.422 . 0 0 "[ . 1 . 2]" 1
809 1 49 LEU HB3 1 65 TYR QE . . 4.050 2.851 2.338 3.084 . 0 0 "[ . 1 . 2]" 1
810 1 49 LEU QD 1 50 ILE H . . 4.530 3.931 3.842 4.159 . 0 0 "[ . 1 . 2]" 1
811 1 49 LEU QD 1 52 GLU H . . 5.440 4.543 4.241 5.246 . 0 0 "[ . 1 . 2]" 1
812 1 49 LEU QD 1 53 ASN HD21 . . 3.760 2.578 2.172 3.477 . 0 0 "[ . 1 . 2]" 1
813 1 49 LEU QD 1 53 ASN HD22 . . 3.730 2.252 1.871 3.518 . 0 0 "[ . 1 . 2]" 1
814 1 49 LEU QD 1 65 TYR QE . . 3.120 2.035 1.876 2.798 . 0 0 "[ . 1 . 2]" 1
815 1 49 LEU QD 1 69 GLN QE . . 4.310 2.552 1.867 3.707 . 0 0 "[ . 1 . 2]" 1
816 1 49 LEU QD 1 69 GLN QG . . 4.450 2.322 1.734 3.898 . 0 0 "[ . 1 . 2]" 1
817 1 49 LEU MD1 1 69 GLN HE21 . . 5.500 3.248 1.901 4.861 . 0 0 "[ . 1 . 2]" 1
818 1 49 LEU MD1 1 69 GLN HE22 . . 5.500 3.640 2.071 5.051 . 0 0 "[ . 1 . 2]" 1
819 1 49 LEU MD2 1 69 GLN HE21 . . 5.500 3.609 2.232 4.726 . 0 0 "[ . 1 . 2]" 1
820 1 49 LEU MD2 1 69 GLN HE22 . . 5.500 4.064 2.509 5.292 . 0 0 "[ . 1 . 2]" 1
821 1 49 LEU HG 1 53 ASN HD21 . . 5.010 4.712 3.503 5.019 0.009 8 0 "[ . 1 . 2]" 1
822 1 50 ILE H 1 50 ILE HB . . 3.330 2.485 2.446 2.532 . 0 0 "[ . 1 . 2]" 1
823 1 50 ILE H 1 50 ILE QG . . 4.220 2.214 2.103 2.332 . 0 0 "[ . 1 . 2]" 1
824 1 50 ILE H 1 50 ILE MG . . 3.980 3.757 3.749 3.763 . 0 0 "[ . 1 . 2]" 1
825 1 50 ILE H 1 51 ASN H . . 3.230 2.625 2.562 2.715 . 0 0 "[ . 1 . 2]" 1
826 1 50 ILE H 1 51 ASN HA . . 5.420 5.255 5.203 5.326 . 0 0 "[ . 1 . 2]" 1
827 1 50 ILE H 1 51 ASN HB2 . . 4.750 4.671 4.570 4.769 0.019 18 0 "[ . 1 . 2]" 1
828 1 50 ILE H 1 51 ASN HD21 . . 4.190 3.874 3.789 3.968 . 0 0 "[ . 1 . 2]" 1
829 1 50 ILE H 1 51 ASN HD22 . . 5.480 5.435 5.339 5.488 0.008 15 0 "[ . 1 . 2]" 1
830 1 50 ILE H 1 52 GLU H . . 4.400 4.044 3.861 4.253 . 0 0 "[ . 1 . 2]" 1
831 1 50 ILE H 1 55 LEU MD1 . . 4.490 4.164 3.549 4.493 0.003 11 0 "[ . 1 . 2]" 1
832 1 50 ILE HA 1 50 ILE MD . . 3.910 3.858 3.834 3.872 . 0 0 "[ . 1 . 2]" 1
833 1 50 ILE HA 1 50 ILE MG . . 3.250 2.398 2.337 2.440 . 0 0 "[ . 1 . 2]" 1
834 1 50 ILE HA 1 52 GLU H . . 5.440 4.495 4.187 4.786 . 0 0 "[ . 1 . 2]" 1
835 1 50 ILE HA 1 54 ARG H . . 4.530 3.770 3.584 3.861 . 0 0 "[ . 1 . 2]" 1
836 1 50 ILE HA 1 55 LEU H . . 3.460 2.591 2.468 2.672 . 0 0 "[ . 1 . 2]" 1
837 1 50 ILE HA 1 55 LEU HA . . 5.000 4.969 4.798 5.011 0.011 3 0 "[ . 1 . 2]" 1
838 1 50 ILE HA 1 55 LEU HB2 . . 4.920 2.820 2.604 2.975 . 0 0 "[ . 1 . 2]" 1
839 1 50 ILE HA 1 55 LEU HB3 . . 4.530 4.432 4.266 4.530 . 0 0 "[ . 1 . 2]" 1
840 1 50 ILE HA 1 55 LEU MD1 . . 3.480 2.724 2.240 3.044 . 0 0 "[ . 1 . 2]" 1
841 1 50 ILE HA 1 55 LEU MD2 . . 4.550 4.352 4.057 4.536 . 0 0 "[ . 1 . 2]" 1
842 1 50 ILE HA 1 62 ALA MB . . 5.220 4.243 3.883 4.542 . 0 0 "[ . 1 . 2]" 1
843 1 50 ILE HB 1 50 ILE MD . . 2.780 2.158 2.100 2.263 . 0 0 "[ . 1 . 2]" 1
844 1 50 ILE HB 1 51 ASN H . . 3.110 2.774 2.659 2.883 . 0 0 "[ . 1 . 2]" 1
845 1 50 ILE QG 1 55 LEU MD1 . . 4.260 2.797 2.126 3.189 . 0 0 "[ . 1 . 2]" 1
846 1 50 ILE QG 1 57 MET HB2 . . 5.340 5.285 4.632 5.387 0.047 12 0 "[ . 1 . 2]" 1
847 1 50 ILE MG 1 51 ASN H . . 3.480 3.489 3.461 3.510 0.030 8 0 "[ . 1 . 2]" 1
848 1 50 ILE MG 1 51 ASN HA . . 3.920 3.446 3.397 3.552 . 0 0 "[ . 1 . 2]" 1
849 1 50 ILE MG 1 52 GLU H . . 5.500 5.049 4.870 5.226 . 0 0 "[ . 1 . 2]" 1
850 1 50 ILE MG 1 54 ARG H . . 4.430 4.280 4.081 4.448 0.018 14 0 "[ . 1 . 2]" 1
851 1 50 ILE MG 1 54 ARG HA . . 4.100 3.711 3.557 3.863 . 0 0 "[ . 1 . 2]" 1
852 1 50 ILE MG 1 55 LEU H . . 3.020 2.856 2.432 3.027 0.007 14 0 "[ . 1 . 2]" 1
853 1 50 ILE MG 1 55 LEU HA . . 5.000 4.494 4.178 4.784 . 0 0 "[ . 1 . 2]" 1
854 1 50 ILE MG 1 57 MET H . . 4.500 3.216 2.662 3.438 . 0 0 "[ . 1 . 2]" 1
855 1 50 ILE MG 1 57 MET HG2 . . 4.220 2.582 2.009 2.931 . 0 0 "[ . 1 . 2]" 1
856 1 50 ILE MG 1 57 MET QG . . 3.710 2.017 1.918 2.318 . 0 0 "[ . 1 . 2]" 1
857 1 50 ILE MG 1 57 MET HG3 . . 4.220 2.280 1.970 3.605 . 0 0 "[ . 1 . 2]" 1
858 1 51 ASN H 1 51 ASN HB2 . . 2.860 2.284 2.255 2.323 . 0 0 "[ . 1 . 2]" 1
859 1 51 ASN H 1 51 ASN HD21 . . 3.840 2.088 1.980 2.242 . 0 0 "[ . 1 . 2]" 1
860 1 51 ASN H 1 51 ASN HD22 . . 4.250 3.788 3.687 3.945 . 0 0 "[ . 1 . 2]" 1
861 1 51 ASN H 1 52 GLU H . . 3.210 2.411 2.248 2.567 . 0 0 "[ . 1 . 2]" 1
862 1 51 ASN HA 1 51 ASN HD21 . . 4.730 2.891 2.620 3.184 . 0 0 "[ . 1 . 2]" 1
863 1 51 ASN HA 1 51 ASN HD22 . . 4.960 3.744 3.608 3.896 . 0 0 "[ . 1 . 2]" 1
864 1 51 ASN HA 1 54 ARG H . . 3.910 3.563 3.217 3.800 . 0 0 "[ . 1 . 2]" 1
865 1 51 ASN HA 1 54 ARG HA . . 3.870 3.379 3.268 3.550 . 0 0 "[ . 1 . 2]" 1
866 1 51 ASN HA 1 54 ARG QD . . 5.070 3.573 2.808 4.545 . 0 0 "[ . 1 . 2]" 1
867 1 51 ASN HA 1 55 LEU H . . 4.820 4.794 4.698 4.834 0.014 5 0 "[ . 1 . 2]" 1
868 1 51 ASN HB2 1 51 ASN HD21 . . 3.140 2.624 2.486 2.747 . 0 0 "[ . 1 . 2]" 1
869 1 51 ASN HB2 1 51 ASN HD22 . . 3.790 3.643 3.583 3.698 . 0 0 "[ . 1 . 2]" 1
870 1 51 ASN HB2 1 52 GLU H . . 3.170 2.841 2.616 3.078 . 0 0 "[ . 1 . 2]" 1
871 1 51 ASN HB2 1 52 GLU HA . . 4.860 4.594 4.498 4.693 . 0 0 "[ . 1 . 2]" 1
872 1 51 ASN HB2 1 54 ARG H . . 5.500 5.410 5.346 5.503 0.003 7 0 "[ . 1 . 2]" 1
873 1 52 GLU H 1 52 GLU QB . . 3.360 2.253 2.193 2.302 . 0 0 "[ . 1 . 2]" 1
874 1 52 GLU H 1 52 GLU QG . . 4.470 3.806 2.718 4.046 . 0 0 "[ . 1 . 2]" 1
875 1 52 GLU H 1 53 ASN H . . 3.220 2.640 2.305 2.910 . 0 0 "[ . 1 . 2]" 1
876 1 52 GLU H 1 53 ASN HD22 . . 5.500 5.390 4.841 5.502 0.002 7 0 "[ . 1 . 2]" 1
877 1 52 GLU H 1 54 ARG H . . 4.100 3.529 3.389 3.589 . 0 0 "[ . 1 . 2]" 1
878 1 52 GLU H 1 55 LEU H . . 5.500 5.437 5.185 5.513 0.013 9 0 "[ . 1 . 2]" 1
879 1 52 GLU HA 1 53 ASN HA . . 4.980 4.649 4.530 4.718 . 0 0 "[ . 1 . 2]" 1
880 1 53 ASN H 1 54 ARG H . . 2.970 2.349 1.899 2.610 . 0 0 "[ . 1 . 2]" 1
881 1 53 ASN H 1 55 LEU H . . 4.530 4.202 3.727 4.542 0.012 15 0 "[ . 1 . 2]" 1
882 1 53 ASN HA 1 53 ASN HD21 . . 4.510 3.895 3.550 4.238 . 0 0 "[ . 1 . 2]" 1
883 1 53 ASN HA 1 53 ASN HD22 . . 4.920 4.350 4.134 4.590 . 0 0 "[ . 1 . 2]" 1
884 1 53 ASN HA 1 55 LEU H . . 5.500 5.043 4.798 5.398 . 0 0 "[ . 1 . 2]" 1
885 1 53 ASN HA 1 55 LEU MD1 . . 5.500 5.331 5.078 5.503 0.003 2 0 "[ . 1 . 2]" 1
886 1 53 ASN HA 1 55 LEU MD2 . . 4.530 4.311 3.841 4.517 . 0 0 "[ . 1 . 2]" 1
887 1 53 ASN HA 1 55 LEU HG . . 4.820 4.624 4.469 4.751 . 0 0 "[ . 1 . 2]" 1
888 1 53 ASN QB 1 54 ARG H . . 3.760 3.126 3.031 3.269 . 0 0 "[ . 1 . 2]" 1
889 1 53 ASN QB 1 55 LEU H . . 3.840 3.245 3.043 3.574 . 0 0 "[ . 1 . 2]" 1
890 1 53 ASN QB 1 55 LEU MD1 . . 3.750 2.698 2.430 2.885 . 0 0 "[ . 1 . 2]" 1
891 1 53 ASN QB 1 55 LEU MD2 . . 3.170 2.250 1.886 2.469 . 0 0 "[ . 1 . 2]" 1
892 1 53 ASN QB 1 55 LEU HG . . 3.880 2.034 1.959 2.193 . 0 0 "[ . 1 . 2]" 1
893 1 53 ASN HB2 1 54 ARG H . . 4.380 3.247 3.124 3.412 . 0 0 "[ . 1 . 2]" 1
894 1 53 ASN HB2 1 55 LEU MD1 . . 4.440 2.805 2.511 3.040 . 0 0 "[ . 1 . 2]" 1
895 1 53 ASN HB2 1 55 LEU MD2 . . 3.760 2.853 2.465 3.121 . 0 0 "[ . 1 . 2]" 1
896 1 53 ASN HB2 1 55 LEU HG . . 4.420 2.084 1.997 2.257 . 0 0 "[ . 1 . 2]" 1
897 1 53 ASN HB3 1 54 ARG H . . 4.380 4.081 3.979 4.189 . 0 0 "[ . 1 . 2]" 1
898 1 53 ASN HB3 1 55 LEU MD1 . . 4.440 3.534 3.220 3.876 . 0 0 "[ . 1 . 2]" 1
899 1 53 ASN HB3 1 55 LEU MD2 . . 3.760 2.360 1.938 2.641 . 0 0 "[ . 1 . 2]" 1
900 1 53 ASN HB3 1 55 LEU HG . . 4.420 2.881 2.517 3.124 . 0 0 "[ . 1 . 2]" 1
901 1 53 ASN HD21 1 55 LEU H . . 5.420 5.156 4.885 5.395 . 0 0 "[ . 1 . 2]" 1
902 1 53 ASN HD21 1 55 LEU MD1 . . 4.340 3.503 2.822 4.259 . 0 0 "[ . 1 . 2]" 1
903 1 53 ASN HD21 1 55 LEU MD2 . . 5.500 4.389 3.891 4.649 . 0 0 "[ . 1 . 2]" 1
904 1 53 ASN HD22 1 55 LEU MD2 . . 5.140 5.048 4.725 5.142 0.002 11 0 "[ . 1 . 2]" 1
905 1 54 ARG H 1 54 ARG HA . . 2.720 2.274 2.273 2.275 . 0 0 "[ . 1 . 2]" 1
906 1 54 ARG H 1 54 ARG QB . . 3.390 3.206 2.889 3.385 . 0 0 "[ . 1 . 2]" 1
907 1 54 ARG H 1 54 ARG QD . . 4.030 3.412 2.551 3.929 . 0 0 "[ . 1 . 2]" 1
908 1 54 ARG H 1 55 LEU H . . 3.200 2.775 2.693 2.877 . 0 0 "[ . 1 . 2]" 1
909 1 54 ARG H 1 55 LEU HB2 . . 5.500 5.209 5.106 5.339 . 0 0 "[ . 1 . 2]" 1
910 1 54 ARG H 1 55 LEU MD2 . . 4.870 4.570 4.138 4.873 0.003 1 0 "[ . 1 . 2]" 1
911 1 54 ARG HA 1 54 ARG QD . . 3.710 2.490 2.049 3.478 . 0 0 "[ . 1 . 2]" 1
912 1 54 ARG HA 1 55 LEU H . . 3.090 2.699 2.561 2.799 . 0 0 "[ . 1 . 2]" 1
913 1 54 ARG QB 1 54 ARG QD . . 2.930 2.265 1.948 2.753 . 0 0 "[ . 1 . 2]" 1
914 1 54 ARG QB 1 55 LEU MD2 . . 5.340 4.529 4.198 4.989 . 0 0 "[ . 1 . 2]" 1
915 1 54 ARG QD 1 55 LEU H . . 5.340 4.725 4.477 5.122 . 0 0 "[ . 1 . 2]" 1
916 1 55 LEU H 1 55 LEU HB2 . . 3.530 2.599 2.512 2.676 . 0 0 "[ . 1 . 2]" 1
917 1 55 LEU H 1 55 LEU HB3 . . 3.700 3.612 3.581 3.684 . 0 0 "[ . 1 . 2]" 1
918 1 55 LEU H 1 55 LEU MD2 . . 3.520 3.288 2.955 3.525 0.005 8 0 "[ . 1 . 2]" 1
919 1 55 LEU H 1 55 LEU HG . . 3.000 2.157 1.945 2.308 . 0 0 "[ . 1 . 2]" 1
920 1 55 LEU H 1 56 ASN H . . 4.820 4.567 4.480 4.599 . 0 0 "[ . 1 . 2]" 1
921 1 55 LEU H 1 57 MET QG . . 5.300 5.277 5.141 5.329 0.029 15 0 "[ . 1 . 2]" 1
922 1 55 LEU HA 1 55 LEU MD1 . . 4.000 3.932 3.869 3.985 . 0 0 "[ . 1 . 2]" 1
923 1 55 LEU HA 1 55 LEU MD2 . . 2.880 2.355 2.093 2.570 . 0 0 "[ . 1 . 2]" 1
924 1 55 LEU HA 1 56 ASN H . . 2.790 2.508 2.415 2.717 . 0 0 "[ . 1 . 2]" 1
925 1 55 LEU HA 1 57 MET H . . 5.500 5.450 5.103 5.529 0.029 13 0 "[ . 1 . 2]" 1
926 1 55 LEU HB2 1 55 LEU MD2 . . 3.350 3.176 3.139 3.194 . 0 0 "[ . 1 . 2]" 1
927 1 55 LEU HB2 1 56 ASN H . . 3.730 3.254 2.790 3.491 . 0 0 "[ . 1 . 2]" 1
928 1 55 LEU HB2 1 62 ALA H . . 5.500 5.305 4.960 5.505 0.005 2 0 "[ . 1 . 2]" 1
929 1 55 LEU HB3 1 56 ASN H . . 3.660 2.266 1.997 2.437 . 0 0 "[ . 1 . 2]" 1
930 1 55 LEU MD1 1 56 ASN H . . 4.420 4.340 4.117 4.431 0.011 13 0 "[ . 1 . 2]" 1
931 1 55 LEU MD1 1 62 ALA H . . 5.150 4.705 4.422 5.017 . 0 0 "[ . 1 . 2]" 1
932 1 55 LEU MD1 1 62 ALA MB . . 3.190 2.536 2.097 2.961 . 0 0 "[ . 1 . 2]" 1
933 1 55 LEU MD1 1 63 ARG H . . 5.500 5.017 4.725 5.240 . 0 0 "[ . 1 . 2]" 1
934 1 55 LEU MD1 1 64 GLN H . . 5.500 5.475 5.288 5.537 0.037 17 0 "[ . 1 . 2]" 1
935 1 55 LEU MD1 1 65 TYR H . . 5.180 4.220 3.904 4.583 . 0 0 "[ . 1 . 2]" 1
936 1 55 LEU MD1 1 65 TYR QD . . 3.230 2.219 1.908 2.636 . 0 0 "[ . 1 . 2]" 1
937 1 55 LEU MD1 1 65 TYR QE . . 3.870 2.988 1.883 3.510 . 0 0 "[ . 1 . 2]" 1
938 1 55 LEU MD2 1 56 ASN H . . 4.300 3.590 3.478 3.737 . 0 0 "[ . 1 . 2]" 1
939 1 55 LEU MD2 1 61 ARG HB2 . . 5.500 5.071 4.570 5.505 0.005 20 0 "[ . 1 . 2]" 1
940 1 55 LEU MD2 1 62 ALA H . . 5.500 5.132 4.687 5.493 . 0 0 "[ . 1 . 2]" 1
941 1 55 LEU MD2 1 62 ALA HA . . 4.680 3.337 2.916 3.678 . 0 0 "[ . 1 . 2]" 1
942 1 55 LEU MD2 1 62 ALA MB . . 3.640 3.573 3.079 3.650 0.010 11 0 "[ . 1 . 2]" 1
943 1 55 LEU MD2 1 65 TYR HB3 . . 4.330 3.746 2.806 4.217 . 0 0 "[ . 1 . 2]" 1
944 1 55 LEU MD2 1 65 TYR QD . . 4.410 3.639 2.816 4.289 . 0 0 "[ . 1 . 2]" 1
945 1 55 LEU MD2 1 65 TYR QE . . 4.800 4.065 2.744 4.754 . 0 0 "[ . 1 . 2]" 1
946 1 56 ASN H 1 56 ASN HB2 . . 3.260 2.713 2.393 3.107 . 0 0 "[ . 1 . 2]" 1
947 1 56 ASN H 1 56 ASN QB . . 2.800 2.404 2.282 2.498 . 0 0 "[ . 1 . 2]" 1
948 1 56 ASN H 1 56 ASN HB3 . . 3.260 2.777 2.552 3.077 . 0 0 "[ . 1 . 2]" 1
949 1 56 ASN H 1 56 ASN HD21 . . 4.750 4.681 4.520 4.765 0.015 5 0 "[ . 1 . 2]" 1
950 1 56 ASN H 1 57 MET QG . . 5.340 4.995 4.769 5.333 . 0 0 "[ . 1 . 2]" 1
951 1 56 ASN H 1 62 ALA MB . . 3.930 2.487 2.011 2.978 . 0 0 "[ . 1 . 2]" 1
952 1 56 ASN HA 1 57 MET H . . 2.810 2.252 2.217 2.345 . 0 0 "[ . 1 . 2]" 1
953 1 56 ASN HA 1 59 ASP H . . 5.460 4.418 3.978 4.637 . 0 0 "[ . 1 . 2]" 1
954 1 56 ASN HA 1 62 ALA MB . . 4.690 3.929 3.627 4.167 . 0 0 "[ . 1 . 2]" 1
955 1 56 ASN QB 1 56 ASN HD22 . . 3.570 3.330 3.214 3.422 . 0 0 "[ . 1 . 2]" 1
956 1 56 ASN QB 1 57 MET H . . 4.320 3.987 3.905 4.031 . 0 0 "[ . 1 . 2]" 1
957 1 56 ASN QB 1 59 ASP H . . 4.080 3.131 2.663 3.377 . 0 0 "[ . 1 . 2]" 1
958 1 56 ASN HB2 1 62 ALA MB . . 5.500 4.553 4.042 5.054 . 0 0 "[ . 1 . 2]" 1
959 1 56 ASN HB3 1 62 ALA MB . . 5.500 3.893 3.514 4.226 . 0 0 "[ . 1 . 2]" 1
960 1 56 ASN HD21 1 58 ALA H . . 5.020 3.215 1.893 4.799 . 0 0 "[ . 1 . 2]" 1
961 1 56 ASN HD21 1 58 ALA MB . . 4.250 2.788 1.963 3.707 . 0 0 "[ . 1 . 2]" 1
962 1 56 ASN HD21 1 59 ASP H . . 5.280 3.061 1.895 5.154 . 0 0 "[ . 1 . 2]" 1
963 1 56 ASN HD22 1 58 ALA H . . 4.650 3.557 3.054 4.135 . 0 0 "[ . 1 . 2]" 1
964 1 56 ASN HD22 1 58 ALA MB . . 3.890 2.205 1.880 2.647 . 0 0 "[ . 1 . 2]" 1
965 1 56 ASN HD22 1 59 ASP H . . 5.030 3.837 3.112 4.874 . 0 0 "[ . 1 . 2]" 1
966 1 57 MET H 1 57 MET HB2 . . 3.420 2.766 2.590 3.547 0.127 8 0 "[ . 1 . 2]" 1
967 1 57 MET H 1 57 MET HB3 . . 3.600 3.477 2.856 3.590 . 0 0 "[ . 1 . 2]" 1
968 1 57 MET H 1 57 MET HG2 . . 3.470 3.094 2.292 3.526 0.056 12 0 "[ . 1 . 2]" 1
969 1 57 MET H 1 57 MET QG . . 3.020 1.975 1.920 2.099 . 0 0 "[ . 1 . 2]" 1
970 1 57 MET H 1 57 MET HG3 . . 3.470 2.015 1.940 2.145 . 0 0 "[ . 1 . 2]" 1
971 1 57 MET H 1 58 ALA H . . 3.180 2.782 2.682 2.931 . 0 0 "[ . 1 . 2]" 1
972 1 57 MET H 1 58 ALA MB . . 4.820 4.342 4.271 4.496 . 0 0 "[ . 1 . 2]" 1
973 1 57 MET H 1 59 ASP H . . 4.390 4.315 4.107 4.408 0.018 5 0 "[ . 1 . 2]" 1
974 1 57 MET H 1 62 ALA MB . . 4.370 3.342 2.974 3.667 . 0 0 "[ . 1 . 2]" 1
975 1 57 MET HA 1 57 MET HG2 . . 4.000 2.857 2.466 3.795 . 0 0 "[ . 1 . 2]" 1
976 1 57 MET HA 1 57 MET HG3 . . 4.000 3.133 2.637 3.569 . 0 0 "[ . 1 . 2]" 1
977 1 57 MET HA 1 62 ALA H . . 5.180 4.228 4.036 4.575 . 0 0 "[ . 1 . 2]" 1
978 1 57 MET HA 1 62 ALA MB . . 3.340 2.139 1.926 2.640 . 0 0 "[ . 1 . 2]" 1
979 1 57 MET HA 1 63 ARG H . . 5.070 4.679 4.384 4.976 . 0 0 "[ . 1 . 2]" 1
980 1 57 MET HA 1 63 ARG QG . . 4.590 4.232 3.810 4.593 0.003 9 0 "[ . 1 . 2]" 1
981 1 57 MET HB2 1 58 ALA H . . 3.020 2.897 2.619 3.144 0.124 7 0 "[ . 1 . 2]" 1
982 1 57 MET HB2 1 59 ASP H . . 5.280 5.007 4.898 5.054 . 0 0 "[ . 1 . 2]" 1
983 1 57 MET HB3 1 63 ARG QD . . 5.220 4.026 3.006 5.209 . 0 0 "[ . 1 . 2]" 1
984 1 57 MET QG 1 58 ALA H . . 4.050 3.728 1.865 4.086 0.036 12 0 "[ . 1 . 2]" 1
985 1 58 ALA H 1 58 ALA MB . . 2.530 2.068 2.030 2.229 . 0 0 "[ . 1 . 2]" 1
986 1 58 ALA MB 1 59 ASP H . . 3.270 2.852 2.668 2.939 . 0 0 "[ . 1 . 2]" 1
987 1 59 ASP H 1 61 ARG HB2 . . 5.420 5.053 4.913 5.220 . 0 0 "[ . 1 . 2]" 1
988 1 59 ASP H 1 62 ALA H . . 4.530 4.340 4.190 4.537 0.007 12 0 "[ . 1 . 2]" 1
989 1 59 ASP H 1 62 ALA MB . . 4.140 3.933 3.780 4.149 0.009 17 0 "[ . 1 . 2]" 1
990 1 60 PRO HA 1 63 ARG H . . 3.620 3.092 2.973 3.317 . 0 0 "[ . 1 . 2]" 1
991 1 60 PRO HA 1 63 ARG HD2 . . 4.900 3.798 2.222 4.801 . 0 0 "[ . 1 . 2]" 1
992 1 60 PRO HA 1 63 ARG HD3 . . 4.900 3.130 1.995 4.297 . 0 0 "[ . 1 . 2]" 1
993 1 60 PRO HA 1 63 ARG QG . . 4.610 2.938 1.942 4.038 . 0 0 "[ . 1 . 2]" 1
994 1 60 PRO HB2 1 61 ARG H . . 3.870 3.738 3.589 3.805 . 0 0 "[ . 1 . 2]" 1
995 1 60 PRO HB2 1 62 ALA H . . 5.500 5.411 5.140 5.512 0.012 20 0 "[ . 1 . 2]" 1
996 1 60 PRO HB2 1 63 ARG H . . 5.030 4.740 4.605 4.879 . 0 0 "[ . 1 . 2]" 1
997 1 60 PRO HG2 1 61 ARG H . . 3.280 2.948 2.714 3.057 . 0 0 "[ . 1 . 2]" 1
998 1 60 PRO HG2 1 62 ALA H . . 5.500 5.475 5.273 5.518 0.018 8 0 "[ . 1 . 2]" 1
999 1 61 ARG H 1 61 ARG HA . . 2.940 2.797 2.755 2.828 . 0 0 "[ . 1 . 2]" 1
1000 1 61 ARG H 1 61 ARG HB2 . . 2.840 2.517 2.331 2.653 . 0 0 "[ . 1 . 2]" 1
1001 1 61 ARG H 1 61 ARG QD . . 3.780 3.213 2.061 3.780 . 0 0 "[ . 1 . 2]" 1
1002 1 61 ARG H 1 61 ARG QG . . 2.930 2.229 1.943 2.922 . 0 0 "[ . 1 . 2]" 1
1003 1 61 ARG H 1 62 ALA H . . 2.880 2.701 2.598 2.873 . 0 0 "[ . 1 . 2]" 1
1004 1 61 ARG H 1 63 ARG H . . 4.100 3.958 3.820 4.113 0.013 20 0 "[ . 1 . 2]" 1
1005 1 61 ARG H 1 63 ARG QD . . 5.340 4.869 4.280 5.369 0.029 3 0 "[ . 1 . 2]" 1
1006 1 61 ARG H 1 64 GLN H . . 4.950 4.717 4.623 4.815 . 0 0 "[ . 1 . 2]" 1
1007 1 61 ARG HA 1 61 ARG HD2 . . 4.230 2.864 1.999 3.864 . 0 0 "[ . 1 . 2]" 1
1008 1 61 ARG HA 1 61 ARG QD . . 3.680 2.348 1.967 3.580 . 0 0 "[ . 1 . 2]" 1
1009 1 61 ARG HA 1 61 ARG HD3 . . 4.230 2.884 2.001 4.229 . 0 0 "[ . 1 . 2]" 1
1010 1 61 ARG HA 1 61 ARG HG2 . . 3.850 3.093 2.827 3.443 . 0 0 "[ . 1 . 2]" 1
1011 1 61 ARG HA 1 61 ARG QG . . 3.150 2.816 2.246 3.079 . 0 0 "[ . 1 . 2]" 1
1012 1 61 ARG HA 1 61 ARG HG3 . . 3.850 3.549 2.276 3.828 . 0 0 "[ . 1 . 2]" 1
1013 1 61 ARG HB2 1 61 ARG QD . . 3.680 3.147 1.984 3.527 . 0 0 "[ . 1 . 2]" 1
1014 1 61 ARG HB2 1 62 ALA H . . 3.140 2.695 2.520 2.935 . 0 0 "[ . 1 . 2]" 1
1015 1 61 ARG QD 1 62 ALA H . . 5.120 4.722 3.892 5.103 . 0 0 "[ . 1 . 2]" 1
1016 1 61 ARG QG 1 62 ALA H . . 4.410 4.085 3.873 4.411 0.001 7 0 "[ . 1 . 2]" 1
1017 1 62 ALA H 1 62 ALA MB . . 2.760 2.195 2.049 2.273 . 0 0 "[ . 1 . 2]" 1
1018 1 62 ALA H 1 63 ARG HA . . 5.340 5.094 5.025 5.312 . 0 0 "[ . 1 . 2]" 1
1019 1 62 ALA H 1 63 ARG QD . . 3.800 3.679 3.296 3.828 0.028 15 0 "[ . 1 . 2]" 1
1020 1 62 ALA H 1 64 GLN H . . 4.180 3.951 3.740 4.124 . 0 0 "[ . 1 . 2]" 1
1021 1 62 ALA H 1 65 TYR H . . 5.500 4.933 4.722 5.113 . 0 0 "[ . 1 . 2]" 1
1022 1 62 ALA HA 1 65 TYR H . . 4.050 3.592 3.322 3.925 . 0 0 "[ . 1 . 2]" 1
1023 1 62 ALA HA 1 65 TYR HB3 . . 3.810 3.011 2.652 3.509 . 0 0 "[ . 1 . 2]" 1
1024 1 62 ALA HA 1 65 TYR QD . . 4.670 4.255 3.136 4.679 0.009 13 0 "[ . 1 . 2]" 1
1025 1 62 ALA MB 1 63 ARG H . . 3.120 2.898 2.675 3.049 . 0 0 "[ . 1 . 2]" 1
1026 1 62 ALA MB 1 63 ARG QD . . 3.360 2.787 2.324 3.317 . 0 0 "[ . 1 . 2]" 1
1027 1 62 ALA MB 1 64 GLN H . . 4.950 4.532 4.322 4.674 . 0 0 "[ . 1 . 2]" 1
1028 1 62 ALA MB 1 65 TYR H . . 4.970 4.685 4.496 4.828 . 0 0 "[ . 1 . 2]" 1
1029 1 63 ARG H 1 63 ARG HD2 . . 4.300 3.075 2.317 3.753 . 0 0 "[ . 1 . 2]" 1
1030 1 63 ARG H 1 63 ARG HD3 . . 4.300 3.103 2.064 3.912 . 0 0 "[ . 1 . 2]" 1
1031 1 63 ARG H 1 63 ARG QG . . 3.030 2.518 2.001 3.040 0.010 1 0 "[ . 1 . 2]" 1
1032 1 63 ARG H 1 64 GLN H . . 3.090 2.333 2.256 2.458 . 0 0 "[ . 1 . 2]" 1
1033 1 63 ARG H 1 65 TYR H . . 4.120 3.852 3.717 3.976 . 0 0 "[ . 1 . 2]" 1
1034 1 63 ARG H 1 66 LEU H . . 5.150 4.819 4.690 4.930 . 0 0 "[ . 1 . 2]" 1
1035 1 63 ARG H 1 66 LEU QD . . 5.440 4.510 3.588 4.882 . 0 0 "[ . 1 . 2]" 1
1036 1 63 ARG HA 1 63 ARG QD . . 4.080 3.006 2.091 3.717 . 0 0 "[ . 1 . 2]" 1
1037 1 63 ARG HA 1 66 LEU H . . 4.020 3.437 3.124 3.693 . 0 0 "[ . 1 . 2]" 1
1038 1 63 ARG HA 1 66 LEU HB2 . . 4.520 2.955 2.325 4.668 0.148 17 0 "[ . 1 . 2]" 1
1039 1 63 ARG HA 1 66 LEU QB . . 3.870 2.855 2.308 3.948 0.078 20 0 "[ . 1 . 2]" 1
1040 1 63 ARG HA 1 66 LEU HB3 . . 4.520 4.324 3.928 4.527 0.007 10 0 "[ . 1 . 2]" 1
1041 1 63 ARG HA 1 66 LEU QD . . 4.180 2.655 1.887 3.152 . 0 0 "[ . 1 . 2]" 1
1042 1 63 ARG QB 1 66 LEU QD . . 5.280 4.087 3.026 4.629 . 0 0 "[ . 1 . 2]" 1
1043 1 63 ARG QD 1 64 GLN H . . 5.240 4.299 3.833 4.517 . 0 0 "[ . 1 . 2]" 1
1044 1 64 GLN H 1 64 GLN HA . . 2.880 2.872 2.801 2.909 0.029 2 0 "[ . 1 . 2]" 1
1045 1 64 GLN H 1 64 GLN QB . . 2.830 2.255 2.164 2.321 . 0 0 "[ . 1 . 2]" 1
1046 1 64 GLN H 1 65 TYR H . . 3.070 2.411 2.250 2.647 . 0 0 "[ . 1 . 2]" 1
1047 1 64 GLN H 1 65 TYR HA . . 5.380 5.055 4.929 5.258 . 0 0 "[ . 1 . 2]" 1
1048 1 64 GLN H 1 65 TYR HB3 . . 5.500 4.482 4.104 4.768 . 0 0 "[ . 1 . 2]" 1
1049 1 64 GLN H 1 66 LEU QD . . 5.440 5.159 4.181 5.442 0.002 4 0 "[ . 1 . 2]" 1
1050 1 64 GLN HA 1 64 GLN HG2 . . 3.600 2.892 2.216 3.631 0.031 17 0 "[ . 1 . 2]" 1
1051 1 64 GLN HA 1 64 GLN QG . . 3.100 2.415 2.171 3.059 . 0 0 "[ . 1 . 2]" 1
1052 1 64 GLN HA 1 64 GLN HG3 . . 3.600 2.774 2.301 3.600 . 0 0 "[ . 1 . 2]" 1
1053 1 64 GLN HA 1 66 LEU H . . 4.710 4.457 4.277 4.715 0.005 6 0 "[ . 1 . 2]" 1
1054 1 64 GLN QB 1 65 TYR H . . 3.290 2.963 2.858 3.052 . 0 0 "[ . 1 . 2]" 1
1055 1 64 GLN QG 1 65 TYR H . . 4.730 4.210 3.854 4.636 . 0 0 "[ . 1 . 2]" 1
1056 1 64 GLN HG2 1 65 TYR H . . 5.500 4.630 4.012 5.361 . 0 0 "[ . 1 . 2]" 1
1057 1 64 GLN HG3 1 65 TYR H . . 5.500 4.988 4.294 5.400 . 0 0 "[ . 1 . 2]" 1
1058 1 65 TYR H 1 65 TYR HB3 . . 2.770 2.340 2.183 2.387 . 0 0 "[ . 1 . 2]" 1
1059 1 65 TYR H 1 65 TYR QD . . 4.240 4.039 3.235 4.165 . 0 0 "[ . 1 . 2]" 1
1060 1 65 TYR H 1 66 LEU H . . 3.100 2.351 2.235 2.520 . 0 0 "[ . 1 . 2]" 1
1061 1 65 TYR H 1 66 LEU QB . . 4.220 4.175 4.018 4.609 0.389 20 0 "[ . 1 . 2]" 1
1062 1 65 TYR H 1 66 LEU QD . . 5.440 4.656 4.006 4.881 . 0 0 "[ . 1 . 2]" 1
1063 1 65 TYR H 1 67 MET H . . 3.980 3.906 3.613 3.989 0.009 13 0 "[ . 1 . 2]" 1
1064 1 65 TYR HA 1 65 TYR QD . . 3.560 2.949 2.687 3.408 . 0 0 "[ . 1 . 2]" 1
1065 1 65 TYR HA 1 68 LYS H . . 3.870 3.672 3.479 3.946 0.076 17 0 "[ . 1 . 2]" 1
1066 1 65 TYR HA 1 68 LYS HB2 . . 4.250 3.778 3.291 4.255 0.005 5 0 "[ . 1 . 2]" 1
1067 1 65 TYR HB3 1 66 LEU H . . 3.240 2.798 2.556 3.212 . 0 0 "[ . 1 . 2]" 1
1068 1 65 TYR QD 1 66 LEU H . . 3.420 3.239 2.428 3.424 0.004 2 0 "[ . 1 . 2]" 1
1069 1 65 TYR QD 1 66 LEU HA . . 4.000 3.249 2.997 3.511 . 0 0 "[ . 1 . 2]" 1
1070 1 65 TYR QD 1 66 LEU HB2 . . 5.500 4.616 4.333 4.858 . 0 0 "[ . 1 . 2]" 1
1071 1 65 TYR QD 1 66 LEU HB3 . . 5.500 5.000 2.712 5.410 . 0 0 "[ . 1 . 2]" 1
1072 1 65 TYR QD 1 66 LEU QD . . 3.580 3.481 3.137 3.594 0.014 12 0 "[ . 1 . 2]" 1
1073 1 65 TYR QD 1 66 LEU HG . . 3.310 3.146 2.779 3.505 0.195 20 0 "[ . 1 . 2]" 1
1074 1 65 TYR QE 1 66 LEU HA . . 4.420 4.234 3.670 4.427 0.007 6 0 "[ . 1 . 2]" 1
1075 1 65 TYR QE 1 66 LEU HG . . 5.300 4.693 4.045 5.090 . 0 0 "[ . 1 . 2]" 1
1076 1 66 LEU H 1 66 LEU QB . . 2.560 2.220 2.097 2.680 0.120 17 0 "[ . 1 . 2]" 1
1077 1 66 LEU H 1 66 LEU QD . . 3.310 3.278 2.941 3.366 0.056 16 0 "[ . 1 . 2]" 1
1078 1 66 LEU H 1 67 MET H . . 3.040 2.621 2.355 2.788 . 0 0 "[ . 1 . 2]" 1
1079 1 66 LEU HA 1 66 LEU MD1 . . 3.820 3.784 3.570 3.841 0.021 9 0 "[ . 1 . 2]" 1
1080 1 66 LEU HA 1 66 LEU QD . . 2.940 2.315 1.955 3.346 0.406 17 0 "[ . 1 . 2]" 1
1081 1 66 LEU HA 1 66 LEU MD2 . . 3.820 2.400 1.961 4.038 0.218 20 0 "[ . 1 . 2]" 1
1082 1 66 LEU HA 1 68 LYS H . . 4.060 3.764 3.621 3.971 . 0 0 "[ . 1 . 2]" 1
1083 1 66 LEU HA 1 69 GLN H . . 3.380 3.279 3.143 3.407 0.027 20 0 "[ . 1 . 2]" 1
1084 1 66 LEU HA 1 69 GLN QB . . 4.170 3.008 2.618 3.395 . 0 0 "[ . 1 . 2]" 1
1085 1 66 LEU QB 1 66 LEU QD . . 2.590 1.887 1.774 1.947 . 0 0 "[ . 1 . 2]" 1
1086 1 66 LEU QB 1 67 MET H . . 3.330 2.830 2.615 3.521 0.191 20 0 "[ . 1 . 2]" 1
1087 1 66 LEU QD 1 67 MET H . . 4.810 4.010 2.363 4.282 . 0 0 "[ . 1 . 2]" 1
1088 1 66 LEU QD 1 69 GLN H . . 4.490 4.313 4.195 4.462 . 0 0 "[ . 1 . 2]" 1
1089 1 66 LEU QD 1 70 THR H . . 4.830 4.792 4.453 4.867 0.037 16 0 "[ . 1 . 2]" 1
1090 1 66 LEU MD1 1 67 MET H . . 5.500 4.450 2.377 4.790 . 0 0 "[ . 1 . 2]" 1
1091 1 66 LEU MD2 1 67 MET H . . 5.500 4.668 4.079 4.849 . 0 0 "[ . 1 . 2]" 1
1092 1 67 MET H 1 67 MET HA . . 2.940 2.786 2.777 2.808 . 0 0 "[ . 1 . 2]" 1
1093 1 67 MET H 1 67 MET HB2 . . 3.740 2.814 2.107 3.589 . 0 0 "[ . 1 . 2]" 1
1094 1 67 MET H 1 67 MET QB . . 2.930 2.312 2.088 2.525 . 0 0 "[ . 1 . 2]" 1
1095 1 67 MET H 1 67 MET HB3 . . 3.740 3.076 2.302 3.589 . 0 0 "[ . 1 . 2]" 1
1096 1 67 MET H 1 67 MET HG2 . . 3.820 3.031 2.098 3.830 0.010 17 0 "[ . 1 . 2]" 1
1097 1 67 MET H 1 67 MET QG . . 3.110 2.510 2.037 3.080 . 0 0 "[ . 1 . 2]" 1
1098 1 67 MET H 1 67 MET HG3 . . 3.820 3.149 2.049 3.838 0.018 13 0 "[ . 1 . 2]" 1
1099 1 67 MET H 1 68 LYS H . . 3.000 2.686 2.624 2.719 . 0 0 "[ . 1 . 2]" 1
1100 1 67 MET H 1 68 LYS HG2 . . 4.390 4.190 3.751 4.387 . 0 0 "[ . 1 . 2]" 1
1101 1 67 MET H 1 69 GLN H . . 4.200 4.127 4.018 4.209 0.009 16 0 "[ . 1 . 2]" 1
1102 1 67 MET HA 1 67 MET HG2 . . 3.880 3.007 2.109 3.886 0.006 11 0 "[ . 1 . 2]" 1
1103 1 67 MET HA 1 67 MET HG3 . . 3.880 3.330 2.667 3.804 . 0 0 "[ . 1 . 2]" 1
1104 1 67 MET HA 1 70 THR H . . 3.510 3.314 3.160 3.485 . 0 0 "[ . 1 . 2]" 1
1105 1 67 MET HA 1 70 THR HB . . 3.630 3.458 3.049 3.661 0.031 20 0 "[ . 1 . 2]" 1
1106 1 67 MET QB 1 68 LYS QE . . 3.840 3.543 3.046 3.954 0.114 6 0 "[ . 1 . 2]" 1
1107 1 67 MET QB 1 68 LYS HG2 . . 4.660 3.731 3.144 4.356 . 0 0 "[ . 1 . 2]" 1
1108 1 67 MET QB 1 70 THR HB . . 5.340 4.797 4.285 5.196 . 0 0 "[ . 1 . 2]" 1
1109 1 67 MET HB2 1 68 LYS H . . 4.100 3.481 2.985 4.121 0.021 7 0 "[ . 1 . 2]" 1
1110 1 67 MET HB3 1 68 LYS H . . 4.100 3.829 3.397 4.115 0.015 11 0 "[ . 1 . 2]" 1
1111 1 67 MET QG 1 68 LYS H . . 5.230 3.549 2.247 4.525 . 0 0 "[ . 1 . 2]" 1
1112 1 68 LYS H 1 68 LYS HB2 . . 2.820 2.528 2.465 2.798 . 0 0 "[ . 1 . 2]" 1
1113 1 68 LYS H 1 68 LYS QD . . 4.520 4.127 2.637 4.299 . 0 0 "[ . 1 . 2]" 1
1114 1 68 LYS H 1 68 LYS QE . . 4.950 3.513 3.194 3.961 . 0 0 "[ . 1 . 2]" 1
1115 1 68 LYS H 1 68 LYS HG2 . . 3.330 2.241 2.020 2.365 . 0 0 "[ . 1 . 2]" 1
1116 1 68 LYS H 1 69 GLN H . . 3.130 2.445 2.284 2.561 . 0 0 "[ . 1 . 2]" 1
1117 1 68 LYS H 1 70 THR H . . 4.000 3.947 3.846 4.022 0.022 17 0 "[ . 1 . 2]" 1
1118 1 68 LYS HA 1 68 LYS QD . . 3.350 2.986 2.505 3.239 . 0 0 "[ . 1 . 2]" 1
1119 1 68 LYS HA 1 68 LYS QE . . 4.440 2.052 1.950 2.369 . 0 0 "[ . 1 . 2]" 1
1120 1 68 LYS HA 1 68 LYS HG2 . . 3.460 2.861 2.724 3.478 0.018 6 0 "[ . 1 . 2]" 1
1121 1 68 LYS HA 1 71 GLU H . . 3.990 3.666 3.483 3.992 0.002 10 0 "[ . 1 . 2]" 1
1122 1 68 LYS HA 1 71 GLU HB2 . . 4.420 3.938 3.551 4.414 . 0 0 "[ . 1 . 2]" 1
1123 1 68 LYS HA 1 71 GLU QB . . 3.850 3.041 2.931 3.506 . 0 0 "[ . 1 . 2]" 1
1124 1 68 LYS HA 1 71 GLU HB3 . . 4.420 3.176 3.015 3.752 . 0 0 "[ . 1 . 2]" 1
1125 1 68 LYS HA 1 72 LYS H . . 4.390 3.594 3.247 4.048 . 0 0 "[ . 1 . 2]" 1
1126 1 68 LYS HB2 1 68 LYS QE . . 4.640 3.827 3.539 3.973 . 0 0 "[ . 1 . 2]" 1
1127 1 68 LYS HB2 1 69 GLN H . . 3.200 3.066 2.953 3.162 . 0 0 "[ . 1 . 2]" 1
1128 1 68 LYS HB3 1 68 LYS QD . . 3.410 2.148 2.009 3.071 . 0 0 "[ . 1 . 2]" 1
1129 1 68 LYS QE 1 68 LYS HG2 . . 3.340 2.189 2.056 3.480 0.140 6 0 "[ . 1 . 2]" 1
1130 1 68 LYS QE 1 69 GLN H . . 5.340 4.937 4.770 5.238 . 0 0 "[ . 1 . 2]" 1
1131 1 68 LYS QE 1 72 LYS H . . 5.340 4.628 4.281 5.097 . 0 0 "[ . 1 . 2]" 1
1132 1 68 LYS HG2 1 69 GLN H . . 4.550 4.345 3.922 4.418 . 0 0 "[ . 1 . 2]" 1
1133 1 69 GLN H 1 69 GLN QB . . 3.210 2.354 2.139 2.606 . 0 0 "[ . 1 . 2]" 1
1134 1 69 GLN H 1 70 THR HB . . 5.370 5.111 4.955 5.267 . 0 0 "[ . 1 . 2]" 1
1135 1 69 GLN H 1 70 THR MG . . 5.500 5.469 5.242 5.530 0.030 20 0 "[ . 1 . 2]" 1
1136 1 69 GLN H 1 71 GLU H . . 4.180 4.007 3.805 4.193 0.013 10 0 "[ . 1 . 2]" 1
1137 1 69 GLN HA 1 70 THR H . . 3.490 3.446 3.418 3.484 . 0 0 "[ . 1 . 2]" 1
1138 1 69 GLN QB 1 70 THR H . . 3.570 2.964 2.834 3.040 . 0 0 "[ . 1 . 2]" 1
1139 1 70 THR H 1 70 THR HB . . 3.150 2.974 2.876 3.152 0.002 10 0 "[ . 1 . 2]" 1
1140 1 70 THR H 1 70 THR MG . . 3.800 3.718 3.518 3.772 . 0 0 "[ . 1 . 2]" 1
1141 1 70 THR H 1 71 GLU H . . 3.150 2.366 2.274 2.641 . 0 0 "[ . 1 . 2]" 1
1142 1 70 THR H 1 72 LYS H . . 4.290 4.200 4.060 4.329 0.039 16 0 "[ . 1 . 2]" 1
1143 1 70 THR HA 1 70 THR MG . . 3.320 2.162 2.105 2.210 . 0 0 "[ . 1 . 2]" 1
1144 1 70 THR HA 1 72 LYS H . . 5.130 5.018 4.879 5.137 0.007 18 0 "[ . 1 . 2]" 1
1145 1 70 THR HA 1 73 TYR H . . 4.380 3.682 3.525 3.772 . 0 0 "[ . 1 . 2]" 1
1146 1 70 THR HA 1 73 TYR QB . . 4.470 2.471 2.075 2.662 . 0 0 "[ . 1 . 2]" 1
1147 1 70 THR HA 1 74 PHE H . . 5.180 4.567 4.343 4.966 . 0 0 "[ . 1 . 2]" 1
1148 1 70 THR HB 1 71 GLU H . . 3.180 2.664 2.487 2.877 . 0 0 "[ . 1 . 2]" 1
1149 1 70 THR HB 1 71 GLU QG . . 5.340 5.311 5.118 5.416 0.076 17 0 "[ . 1 . 2]" 1
1150 1 70 THR HB 1 72 LYS H . . 5.500 5.340 5.172 5.494 . 0 0 "[ . 1 . 2]" 1
1151 1 70 THR MG 1 71 GLU H . . 4.020 3.991 3.912 4.052 0.032 12 0 "[ . 1 . 2]" 1
1152 1 71 GLU H 1 71 GLU HB2 . . 3.350 2.412 2.283 2.528 . 0 0 "[ . 1 . 2]" 1
1153 1 71 GLU H 1 71 GLU QB . . 2.930 2.233 2.186 2.264 . 0 0 "[ . 1 . 2]" 1
1154 1 71 GLU H 1 71 GLU HB3 . . 3.350 2.658 2.524 2.794 . 0 0 "[ . 1 . 2]" 1
1155 1 71 GLU H 1 75 PHE QD . . 4.910 4.563 4.367 4.928 0.018 19 0 "[ . 1 . 2]" 1
1156 1 71 GLU H 1 75 PHE QE . . 5.500 5.521 5.466 5.588 0.088 13 0 "[ . 1 . 2]" 1
1157 1 71 GLU HA 1 71 GLU QG . . 3.280 2.397 2.217 2.511 . 0 0 "[ . 1 . 2]" 1
1158 1 71 GLU HA 1 75 PHE H . . 3.890 3.372 3.148 3.933 0.043 17 0 "[ . 1 . 2]" 1
1159 1 71 GLU HA 1 75 PHE QD . . 3.560 2.017 1.955 2.295 . 0 0 "[ . 1 . 2]" 1
1160 1 71 GLU HA 1 75 PHE QE . . 4.470 3.560 3.083 3.821 . 0 0 "[ . 1 . 2]" 1
1161 1 71 GLU QB 1 72 LYS H . . 2.990 2.159 2.084 2.261 . 0 0 "[ . 1 . 2]" 1
1162 1 71 GLU QB 1 73 TYR H . . 4.470 4.196 4.116 4.247 . 0 0 "[ . 1 . 2]" 1
1163 1 71 GLU QB 1 75 PHE QD . . 5.340 3.395 2.996 4.087 . 0 0 "[ . 1 . 2]" 1
1164 1 71 GLU HB2 1 72 LYS H . . 3.680 3.559 3.425 3.642 . 0 0 "[ . 1 . 2]" 1
1165 1 71 GLU HB3 1 72 LYS H . . 3.680 2.178 2.102 2.288 . 0 0 "[ . 1 . 2]" 1
1166 1 71 GLU QG 1 75 PHE H . . 4.940 4.148 3.861 4.991 0.051 16 0 "[ . 1 . 2]" 1
1167 1 71 GLU QG 1 75 PHE QB . . 3.950 2.085 1.890 3.186 . 0 0 "[ . 1 . 2]" 1
1168 1 71 GLU QG 1 75 PHE QD . . 3.410 2.256 1.892 3.353 . 0 0 "[ . 1 . 2]" 1
1169 1 71 GLU QG 1 75 PHE QE . . 4.980 3.995 3.279 4.650 . 0 0 "[ . 1 . 2]" 1
1170 1 71 GLU QG 1 76 GLY H . . 5.340 4.514 3.928 5.354 0.014 16 0 "[ . 1 . 2]" 1
1171 1 72 LYS H 1 72 LYS HA . . 2.910 2.790 2.769 2.814 . 0 0 "[ . 1 . 2]" 1
1172 1 72 LYS H 1 72 LYS QB . . 2.710 2.185 2.038 2.613 . 0 0 "[ . 1 . 2]" 1
1173 1 72 LYS H 1 72 LYS QE . . 5.340 4.985 3.501 5.462 0.122 10 0 "[ . 1 . 2]" 1
1174 1 72 LYS H 1 72 LYS QG . . 3.830 3.590 1.884 4.051 0.221 3 0 "[ . 1 . 2]" 1
1175 1 72 LYS H 1 73 TYR H . . 3.100 2.685 2.629 2.730 . 0 0 "[ . 1 . 2]" 1
1176 1 72 LYS HA 1 72 LYS QD . . 4.120 2.528 1.980 3.823 . 0 0 "[ . 1 . 2]" 1
1177 1 72 LYS HA 1 72 LYS QE . . 4.560 3.294 2.506 4.548 . 0 0 "[ . 1 . 2]" 1
1178 1 72 LYS HA 1 72 LYS QG . . 3.630 2.679 2.042 3.404 . 0 0 "[ . 1 . 2]" 1
1179 1 72 LYS HA 1 73 TYR H . . 3.450 3.412 3.394 3.447 . 0 0 "[ . 1 . 2]" 1
1180 1 72 LYS HA 1 76 GLY H . . 3.230 3.004 2.233 3.517 0.287 15 0 "[ . 1 . 2]" 1
1181 1 72 LYS HA 1 77 GLU H . . 3.820 3.170 2.139 4.454 0.634 12 1 "[ . 1 + . 2]" 1
1182 1 72 LYS HA 1 77 GLU HA . . 5.500 5.467 3.350 5.858 0.358 7 0 "[ . 1 . 2]" 1
1183 1 72 LYS QB 1 72 LYS QE . . 4.370 3.194 1.975 3.868 . 0 0 "[ . 1 . 2]" 1
1184 1 72 LYS QD 1 72 LYS QG . . 2.360 2.044 2.002 2.090 . 0 0 "[ . 1 . 2]" 1
1185 1 72 LYS QD 1 76 GLY H . . 5.070 4.564 3.638 5.138 0.068 17 0 "[ . 1 . 2]" 1
1186 1 72 LYS QD 1 77 GLU QG . . 4.560 3.912 2.025 4.729 0.169 12 0 "[ . 1 . 2]" 1
1187 1 72 LYS QE 1 72 LYS QG . . 3.340 2.143 1.926 2.819 . 0 0 "[ . 1 . 2]" 1
1188 1 72 LYS QE 1 77 GLU H . . 5.000 2.706 1.902 4.796 . 0 0 "[ . 1 . 2]" 1
1189 1 72 LYS QE 1 77 GLU HB2 . . 5.340 4.272 3.458 5.392 0.052 2 0 "[ . 1 . 2]" 1
1190 1 72 LYS QE 1 77 GLU QG . . 4.030 3.249 1.939 4.128 0.098 3 0 "[ . 1 . 2]" 1
1191 1 72 LYS QE 1 78 GLY H . . 5.340 4.227 1.915 5.429 0.089 12 0 "[ . 1 . 2]" 1
1192 1 73 TYR H 1 73 TYR QB . . 3.060 2.172 2.053 2.254 . 0 0 "[ . 1 . 2]" 1
1193 1 73 TYR H 1 74 PHE H . . 3.220 3.007 2.929 3.174 . 0 0 "[ . 1 . 2]" 1
1194 1 73 TYR H 1 75 PHE H . . 4.370 4.132 4.050 4.244 . 0 0 "[ . 1 . 2]" 1
1195 1 73 TYR HA 1 76 GLY H . . 4.750 4.627 4.539 4.832 0.082 15 0 "[ . 1 . 2]" 1
1196 1 73 TYR QB 1 74 PHE H . . 3.250 1.972 1.863 2.070 . 0 0 "[ . 1 . 2]" 1
1197 1 73 TYR HB2 1 74 PHE H . . 3.930 3.308 2.765 3.584 . 0 0 "[ . 1 . 2]" 1
1198 1 73 TYR HB3 1 74 PHE H . . 3.930 1.991 1.872 2.120 . 0 0 "[ . 1 . 2]" 1
1199 1 74 PHE H 1 74 PHE HB2 . . 3.530 2.754 2.225 2.969 . 0 0 "[ . 1 . 2]" 1
1200 1 74 PHE H 1 74 PHE QB . . 3.080 2.324 2.200 2.582 . 0 0 "[ . 1 . 2]" 1
1201 1 74 PHE H 1 74 PHE HB3 . . 3.530 2.656 2.372 3.667 0.137 15 0 "[ . 1 . 2]" 1
1202 1 74 PHE H 1 75 PHE H . . 3.240 2.335 2.259 2.380 . 0 0 "[ . 1 . 2]" 1
1203 1 74 PHE H 1 76 GLY H . . 4.070 3.521 3.418 3.812 . 0 0 "[ . 1 . 2]" 1
1204 1 74 PHE HA 1 75 PHE HA . . 5.000 4.726 4.622 4.763 . 0 0 "[ . 1 . 2]" 1
1205 1 74 PHE QB 1 75 PHE H . . 3.440 2.436 2.330 2.525 . 0 0 "[ . 1 . 2]" 1
1206 1 74 PHE QB 1 75 PHE HA . . 4.700 4.123 3.795 4.269 . 0 0 "[ . 1 . 2]" 1
1207 1 74 PHE QB 1 75 PHE QD . . 3.980 3.442 3.069 3.992 0.012 2 0 "[ . 1 . 2]" 1
1208 1 74 PHE QB 1 75 PHE QE . . 4.820 3.730 3.129 4.269 . 0 0 "[ . 1 . 2]" 1
1209 1 74 PHE HB2 1 75 PHE H . . 4.010 3.608 2.358 3.908 . 0 0 "[ . 1 . 2]" 1
1210 1 74 PHE HB3 1 75 PHE H . . 4.010 2.599 2.383 3.631 . 0 0 "[ . 1 . 2]" 1
1211 1 75 PHE H 1 75 PHE HB2 . . 3.750 2.622 2.534 2.847 . 0 0 "[ . 1 . 2]" 1
1212 1 75 PHE H 1 75 PHE QB . . 3.290 2.560 2.486 2.748 . 0 0 "[ . 1 . 2]" 1
1213 1 75 PHE H 1 75 PHE HB3 . . 3.750 3.600 3.589 3.633 . 0 0 "[ . 1 . 2]" 1
1214 1 75 PHE H 1 75 PHE QD . . 3.600 2.817 1.932 3.123 . 0 0 "[ . 1 . 2]" 1
1215 1 75 PHE H 1 75 PHE QE . . 4.480 4.224 3.941 4.434 . 0 0 "[ . 1 . 2]" 1
1216 1 75 PHE H 1 76 GLY H . . 2.830 2.643 2.562 2.922 0.092 15 0 "[ . 1 . 2]" 1
1217 1 75 PHE HA 1 75 PHE QD . . 3.460 2.355 2.024 3.070 . 0 0 "[ . 1 . 2]" 1
1218 1 75 PHE HA 1 75 PHE QE . . 4.930 4.532 4.359 4.782 . 0 0 "[ . 1 . 2]" 1
1219 1 75 PHE QB 1 76 GLY H . . 3.770 3.192 2.717 3.826 0.056 15 0 "[ . 1 . 2]" 1
1220 1 75 PHE HB2 1 76 GLY H . . 4.550 3.318 2.773 4.098 . 0 0 "[ . 1 . 2]" 1
1221 1 75 PHE HB3 1 76 GLY H . . 4.550 4.208 3.882 4.592 0.042 10 0 "[ . 1 . 2]" 1
1222 1 75 PHE QD 1 76 GLY H . . 4.790 4.451 3.875 4.772 . 0 0 "[ . 1 . 2]" 1
1223 1 76 GLY H 1 76 GLY QA . . 2.510 2.288 2.189 2.399 . 0 0 "[ . 1 . 2]" 1
1224 1 76 GLY H 1 77 GLU H . . 3.900 3.454 2.954 4.051 0.151 12 0 "[ . 1 . 2]" 1
1225 1 76 GLY H 1 77 GLU QG . . 5.250 4.443 4.020 5.441 0.191 12 0 "[ . 1 . 2]" 1
1226 1 76 GLY H 1 78 GLY H . . 4.600 3.731 2.973 5.197 0.597 16 1 "[ . 1 .+ 2]" 1
1227 1 76 GLY QA 1 77 GLU H . . 2.630 2.254 2.112 2.740 0.110 19 0 "[ . 1 . 2]" 1
1228 1 77 GLU H 1 77 GLU HB2 . . 3.660 3.594 3.559 3.759 0.099 3 0 "[ . 1 . 2]" 1
1229 1 77 GLU H 1 77 GLU HB3 . . 2.990 2.588 2.317 3.328 0.338 12 0 "[ . 1 . 2]" 1
1230 1 77 GLU H 1 77 GLU QG . . 3.170 2.223 1.900 2.519 . 0 0 "[ . 1 . 2]" 1
1231 1 77 GLU HA 1 77 GLU QG . . 3.460 3.341 3.276 3.432 . 0 0 "[ . 1 . 2]" 1
1232 1 77 GLU HA 1 78 GLY H . . 3.560 3.480 3.352 3.536 . 0 0 "[ . 1 . 2]" 1
1233 1 77 GLU HA 1 78 GLY QA . . 5.340 4.315 4.173 4.446 . 0 0 "[ . 1 . 2]" 1
1234 1 77 GLU HB2 1 78 GLY H . . 4.020 3.909 3.636 4.078 0.058 16 0 "[ . 1 . 2]" 1
1235 1 77 GLU HB3 1 78 GLY H . . 4.210 4.053 3.879 4.370 0.160 16 0 "[ . 1 . 2]" 1
1236 1 77 GLU QG 1 78 GLY H . . 3.870 2.277 1.907 2.795 . 0 0 "[ . 1 . 2]" 1
1237 1 77 GLU QG 1 78 GLY QA . . 4.820 3.374 2.910 4.174 . 0 0 "[ . 1 . 2]" 1
1238 1 77 GLU QG 1 79 ALA MB . . 5.340 4.353 2.291 5.443 0.103 17 0 "[ . 1 . 2]" 1
1239 1 78 GLY H 1 79 ALA H . . 3.640 3.206 2.545 3.643 0.003 1 0 "[ . 1 . 2]" 1
1240 1 78 GLY H 1 79 ALA MB . . 4.830 4.147 3.445 4.897 0.067 5 0 "[ . 1 . 2]" 1
1241 1 78 GLY QA 1 79 ALA H . . 2.700 2.480 2.119 2.762 0.062 7 0 "[ . 1 . 2]" 1
1242 1 78 GLY QA 1 79 ALA MB . . 4.340 3.930 3.461 4.184 . 0 0 "[ . 1 . 2]" 1
1243 1 79 ALA H 1 79 ALA MB . . 2.760 2.470 2.029 2.817 0.057 5 0 "[ . 1 . 2]" 1
1244 1 79 ALA HA 1 80 ASP H . . 2.790 2.451 2.141 2.934 0.144 9 0 "[ . 1 . 2]" 1
1245 1 79 ALA MB 1 80 ASP H . . 3.360 2.845 2.095 3.621 0.261 15 0 "[ . 1 . 2]" 1
1246 1 80 ASP H 1 80 ASP QB . . 3.200 2.624 2.206 3.172 . 0 0 "[ . 1 . 2]" 1
1247 1 80 ASP HA 1 81 GLN H . . 3.020 2.458 2.146 2.980 . 0 0 "[ . 1 . 2]" 1
1248 1 80 ASP QB 1 81 GLN H . . 4.280 3.191 1.976 4.031 . 0 0 "[ . 1 . 2]" 1
1249 1 81 GLN H 1 81 GLN HB2 . . 3.910 3.209 2.181 3.843 . 0 0 "[ . 1 . 2]" 1
1250 1 81 GLN H 1 81 GLN QB . . 3.200 2.733 2.160 3.311 0.111 16 0 "[ . 1 . 2]" 1
1251 1 81 GLN H 1 81 GLN HB3 . . 3.910 3.325 2.354 3.988 0.078 16 0 "[ . 1 . 2]" 1
1252 1 81 GLN H 1 81 GLN QG . . 3.500 2.563 1.934 3.502 0.002 10 0 "[ . 1 . 2]" 1
1253 1 81 GLN HA 1 81 GLN QG . . 3.560 2.938 2.160 3.460 . 0 0 "[ . 1 . 2]" 1
1254 1 81 GLN HA 1 82 ALA H . . 2.770 2.493 2.282 2.797 0.027 9 0 "[ . 1 . 2]" 1
1255 1 81 GLN QB 1 82 ALA H . . 3.860 2.612 1.949 3.867 0.007 9 0 "[ . 1 . 2]" 1
1256 1 81 GLN QB 1 83 SER H . . 4.990 4.575 2.452 4.992 0.002 8 0 "[ . 1 . 2]" 1
1257 1 81 GLN QG 1 82 ALA H . . 4.390 3.773 3.057 4.480 0.090 16 0 "[ . 1 . 2]" 1
1258 1 81 GLN QG 1 82 ALA MB . . 5.340 4.842 3.007 5.343 0.003 16 0 "[ . 1 . 2]" 1
1259 1 82 ALA H 1 82 ALA MB . . 3.200 2.562 2.063 2.887 . 0 0 "[ . 1 . 2]" 1
1260 1 82 ALA HA 1 83 SER H . . 3.090 2.372 2.142 2.912 . 0 0 "[ . 1 . 2]" 1
1261 1 82 ALA MB 1 83 SER H . . 3.750 3.415 3.073 3.720 . 0 0 "[ . 1 . 2]" 1
1262 1 82 ALA MB 1 83 SER HA . . 4.800 4.159 3.838 4.797 . 0 0 "[ . 1 . 2]" 1
1263 1 82 ALA MB 1 83 SER QB . . 4.720 4.381 3.487 4.728 0.008 8 0 "[ . 1 . 2]" 1
1264 1 83 SER H 1 83 SER QB . . 3.680 2.796 2.232 3.374 . 0 0 "[ . 1 . 2]" 1
1265 1 83 SER HA 1 84 GLY H . . 3.370 2.374 2.147 2.943 . 0 0 "[ . 1 . 2]" 1
1266 1 84 GLY H 1 85 TYR H . . 4.590 4.060 3.228 4.566 . 0 0 "[ . 1 . 2]" 1
1267 1 84 GLY QA 1 85 TYR H . . 2.750 2.213 2.113 2.282 . 0 0 "[ . 1 . 2]" 1
1268 1 84 GLY QA 1 85 TYR HB2 . . 4.280 4.068 3.904 4.262 . 0 0 "[ . 1 . 2]" 1
1269 1 84 GLY QA 1 85 TYR QD . . 4.990 4.600 4.093 4.991 0.001 2 0 "[ . 1 . 2]" 1
1270 1 85 TYR H 1 85 TYR HB2 . . 2.990 2.343 2.114 2.576 . 0 0 "[ . 1 . 2]" 1
1271 1 85 TYR H 1 85 TYR HB3 . . 3.640 3.323 2.926 3.548 . 0 0 "[ . 1 . 2]" 1
1272 1 85 TYR H 1 85 TYR QD . . 3.900 3.823 3.311 3.897 . 0 0 "[ . 1 . 2]" 1
1273 1 85 TYR HA 1 85 TYR QD . . 3.220 2.468 2.170 2.856 . 0 0 "[ . 1 . 2]" 1
1274 1 85 TYR HA 1 85 TYR QE . . 4.480 4.292 4.212 4.414 . 0 0 "[ . 1 . 2]" 1
1275 1 85 TYR HA 1 86 VAL H . . 2.590 2.495 2.441 2.563 . 0 0 "[ . 1 . 2]" 1
1276 1 85 TYR HB2 1 86 VAL H . . 3.900 3.826 3.682 3.887 . 0 0 "[ . 1 . 2]" 1
1277 1 85 TYR HB3 1 86 VAL H . . 4.230 2.557 2.193 3.009 . 0 0 "[ . 1 . 2]" 1
1278 1 85 TYR QD 1 86 VAL H . . 3.920 2.523 2.230 2.985 . 0 0 "[ . 1 . 2]" 1
1279 1 85 TYR QE 1 86 VAL H . . 4.760 4.448 3.944 4.758 . 0 0 "[ . 1 . 2]" 1
1280 1 88 PRO HA 1 89 ALA MB . . 5.400 3.987 3.712 5.024 . 0 0 "[ . 1 . 2]" 1
1281 1 88 PRO QB 1 89 ALA H . . 3.370 2.392 2.053 3.061 . 0 0 "[ . 1 . 2]" 1
1282 1 88 PRO HB2 1 89 ALA H . . 4.050 2.443 2.078 3.169 . 0 0 "[ . 1 . 2]" 1
1283 1 88 PRO HB3 1 89 ALA H . . 4.050 3.454 3.210 4.045 . 0 0 "[ . 1 . 2]" 1
1284 1 88 PRO HD2 1 89 ALA H . . 5.500 4.754 2.663 5.496 . 0 0 "[ . 1 . 2]" 1
1285 1 88 PRO HD3 1 89 ALA H . . 5.500 5.041 3.839 5.476 . 0 0 "[ . 1 . 2]" 1
1286 1 88 PRO QG 1 89 ALA H . . 4.000 3.431 1.974 3.983 . 0 0 "[ . 1 . 2]" 1
1287 1 89 ALA H 1 89 ALA MB . . 3.390 2.582 2.115 2.884 . 0 0 "[ . 1 . 2]" 1
1288 1 89 ALA HA 1 90 GLN H . . 3.030 2.392 2.144 2.915 . 0 0 "[ . 1 . 2]" 1
1289 1 89 ALA MB 1 90 GLN H . . 4.630 2.929 2.084 3.720 . 0 0 "[ . 1 . 2]" 1
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