NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
425694 |
2gow   |
7095 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2gow
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 1114
_Distance_constraint_stats_list.Viol_count 2037
_Distance_constraint_stats_list.Viol_total 2406.737
_Distance_constraint_stats_list.Viol_max 0.304
_Distance_constraint_stats_list.Viol_rms 0.0225
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0054
_Distance_constraint_stats_list.Viol_average_violations_only 0.0591
_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 10 SER 0.607 0.135 16 0 "[ . 1 . 2]"
1 11 SER 0.780 0.135 16 0 "[ . 1 . 2]"
1 12 ASN 0.173 0.089 15 0 "[ . 1 . 2]"
1 13 VAL 2.336 0.137 14 0 "[ . 1 . 2]"
1 14 PRO 1.414 0.133 15 0 "[ . 1 . 2]"
1 15 ALA 3.434 0.190 2 0 "[ . 1 . 2]"
1 16 ASP 1.277 0.101 2 0 "[ . 1 . 2]"
1 17 MET 4.287 0.160 9 0 "[ . 1 . 2]"
1 18 ILE 11.422 0.173 12 0 "[ . 1 . 2]"
1 19 ASN 4.292 0.206 10 0 "[ . 1 . 2]"
1 20 LEU 4.423 0.174 17 0 "[ . 1 . 2]"
1 21 ARG 2.536 0.119 11 0 "[ . 1 . 2]"
1 22 LEU 15.790 0.267 15 0 "[ . 1 . 2]"
1 23 ILE 6.717 0.206 10 0 "[ . 1 . 2]"
1 24 LEU 1.238 0.185 12 0 "[ . 1 . 2]"
1 25 VAL 0.282 0.053 15 0 "[ . 1 . 2]"
1 26 SER 1.173 0.137 11 0 "[ . 1 . 2]"
1 27 GLY 0.008 0.008 12 0 "[ . 1 . 2]"
1 28 LYS 1.293 0.137 11 0 "[ . 1 . 2]"
1 29 THR 1.589 0.185 12 0 "[ . 1 . 2]"
1 30 LYS 2.074 0.206 10 0 "[ . 1 . 2]"
1 31 GLU 3.303 0.206 10 0 "[ . 1 . 2]"
1 32 PHE 0.885 0.061 17 0 "[ . 1 . 2]"
1 33 LEU 1.587 0.160 9 0 "[ . 1 . 2]"
1 34 PHE 5.388 0.221 4 0 "[ . 1 . 2]"
1 35 SER 1.459 0.068 19 0 "[ . 1 . 2]"
1 36 PRO 2.795 0.093 2 0 "[ . 1 . 2]"
1 37 ASN 0.517 0.049 2 0 "[ . 1 . 2]"
1 38 ASP 0.990 0.050 12 0 "[ . 1 . 2]"
1 39 SER 1.368 0.127 1 0 "[ . 1 . 2]"
1 40 ALA 6.307 0.241 10 0 "[ . 1 . 2]"
1 41 SER 2.714 0.153 12 0 "[ . 1 . 2]"
1 42 ASP 1.389 0.120 6 0 "[ . 1 . 2]"
1 43 ILE 2.502 0.079 18 0 "[ . 1 . 2]"
1 44 ALA 2.259 0.151 2 0 "[ . 1 . 2]"
1 45 LYS 2.813 0.130 8 0 "[ . 1 . 2]"
1 46 HIS 1.045 0.118 10 0 "[ . 1 . 2]"
1 47 VAL 9.244 0.267 15 0 "[ . 1 . 2]"
1 48 TYR 1.286 0.136 17 0 "[ . 1 . 2]"
1 52 PRO 2.564 0.130 8 0 "[ . 1 . 2]"
1 58 GLU 1.067 0.214 16 0 "[ . 1 . 2]"
1 63 PRO 1.406 0.162 15 0 "[ . 1 . 2]"
1 64 ASN 0.004 0.004 15 0 "[ . 1 . 2]"
1 65 ILE 4.514 0.174 7 0 "[ . 1 . 2]"
1 66 LEU 0.754 0.152 6 0 "[ . 1 . 2]"
1 67 ARG 2.346 0.153 12 0 "[ . 1 . 2]"
1 68 LEU 0.743 0.217 20 0 "[ . 1 . 2]"
1 69 ILE 4.467 0.159 16 0 "[ . 1 . 2]"
1 70 TYR 4.946 0.181 12 0 "[ . 1 . 2]"
1 71 GLN 5.463 0.301 11 0 "[ . 1 . 2]"
1 72 GLY 0.044 0.044 12 0 "[ . 1 . 2]"
1 73 ARG 0.613 0.082 18 0 "[ . 1 . 2]"
1 74 PHE 2.367 0.119 18 0 "[ . 1 . 2]"
1 75 LEU 6.483 0.304 19 0 "[ . 1 . 2]"
1 76 HIS 1.611 0.147 10 0 "[ . 1 . 2]"
1 77 GLY 0.005 0.005 20 0 "[ . 1 . 2]"
1 78 ASN 3.665 0.241 10 0 "[ . 1 . 2]"
1 79 VAL 4.786 0.176 18 0 "[ . 1 . 2]"
1 80 THR 0.314 0.057 20 0 "[ . 1 . 2]"
1 81 LEU 9.129 0.304 19 0 "[ . 1 . 2]"
1 82 GLY 1.045 0.084 1 0 "[ . 1 . 2]"
1 83 ALA 1.961 0.176 18 0 "[ . 1 . 2]"
1 84 LEU 3.078 0.099 1 0 "[ . 1 . 2]"
1 85 LYS 1.949 0.181 12 0 "[ . 1 . 2]"
1 86 LEU 0.933 0.097 14 0 "[ . 1 . 2]"
1 87 PRO 0.974 0.097 14 0 "[ . 1 . 2]"
1 88 PHE 4.442 0.190 2 0 "[ . 1 . 2]"
1 89 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 LYS 2.099 0.150 15 0 "[ . 1 . 2]"
1 91 THR 0.525 0.077 18 0 "[ . 1 . 2]"
1 92 THR 1.736 0.145 17 0 "[ . 1 . 2]"
1 93 VAL 0.910 0.101 13 0 "[ . 1 . 2]"
1 94 MET 2.414 0.086 16 0 "[ . 1 . 2]"
1 95 HIS 6.629 0.190 10 0 "[ . 1 . 2]"
1 96 LEU 0.608 0.080 13 0 "[ . 1 . 2]"
1 97 VAL 1.736 0.119 18 0 "[ . 1 . 2]"
1 98 ALA 1.163 0.171 13 0 "[ . 1 . 2]"
1 99 ARG 3.172 0.160 5 0 "[ . 1 . 2]"
1 100 GLU 1.464 0.214 16 0 "[ . 1 . 2]"
1 101 THR 2.560 0.157 16 0 "[ . 1 . 2]"
1 102 LEU 1.645 0.158 5 0 "[ . 1 . 2]"
1 103 PRO 0.439 0.158 5 0 "[ . 1 . 2]"
1 104 GLU 0.801 0.193 3 0 "[ . 1 . 2]"
1 105 PRO 0.834 0.136 9 0 "[ . 1 . 2]"
1 106 ASN 0.613 0.127 3 0 "[ . 1 . 2]"
1 107 SER 0.312 0.193 3 0 "[ . 1 . 2]"
1 108 GLN 2.829 0.200 8 0 "[ . 1 . 2]"
1 110 GLN 1.442 0.200 8 0 "[ . 1 . 2]"
1 112 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 ARG 1.777 0.241 13 0 "[ . 1 . 2]"
1 116 THR 0.916 0.162 20 0 "[ . 1 . 2]"
1 118 GLU 0.520 0.142 19 0 "[ . 1 . 2]"
1 119 SER 0.468 0.117 20 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 10 SER HA 1 11 SER H . . 3.180 2.241 2.003 2.843 . 0 0 "[ . 1 . 2]" 1
2 1 10 SER QB 1 11 SER H . . 3.380 3.129 1.884 3.515 0.135 16 0 "[ . 1 . 2]" 1
3 1 11 SER HA 1 12 ASN H . . 3.140 2.511 2.104 3.229 0.089 15 0 "[ . 1 . 2]" 1
4 1 13 VAL H 1 13 VAL HB . . 3.280 2.608 2.490 2.832 . 0 0 "[ . 1 . 2]" 1
5 1 13 VAL H 1 13 VAL MG1 . . 3.740 3.780 3.749 3.824 0.084 7 0 "[ . 1 . 2]" 1
6 1 13 VAL H 1 13 VAL QG . . 3.000 2.142 1.863 2.580 . 0 0 "[ . 1 . 2]" 1
7 1 13 VAL H 1 13 VAL MG2 . . 3.740 2.156 1.867 2.623 . 0 0 "[ . 1 . 2]" 1
8 1 13 VAL H 1 14 PRO HD3 . . 5.170 4.390 4.179 4.640 . 0 0 "[ . 1 . 2]" 1
9 1 13 VAL HA 1 13 VAL MG1 . . 3.650 2.312 2.182 2.387 . 0 0 "[ . 1 . 2]" 1
10 1 13 VAL HA 1 13 VAL MG2 . . 3.650 2.549 2.430 2.715 . 0 0 "[ . 1 . 2]" 1
11 1 13 VAL HA 1 14 PRO HD2 . . 3.580 2.452 2.099 2.765 . 0 0 "[ . 1 . 2]" 1
12 1 13 VAL HA 1 14 PRO HD3 . . 3.360 2.084 1.897 2.388 . 0 0 "[ . 1 . 2]" 1
13 1 13 VAL HA 1 33 LEU QD . . 3.390 2.569 1.986 2.978 . 0 0 "[ . 1 . 2]" 1
14 1 13 VAL HB 1 14 PRO HD3 . . 5.500 4.736 4.576 4.993 . 0 0 "[ . 1 . 2]" 1
15 1 13 VAL HB 1 89 GLY H . . 5.190 3.916 3.365 4.247 . 0 0 "[ . 1 . 2]" 1
16 1 13 VAL HB 1 89 GLY HA2 . . 4.850 1.969 1.864 2.067 . 0 0 "[ . 1 . 2]" 1
17 1 13 VAL HB 1 89 GLY HA3 . . 4.930 3.325 3.096 3.608 . 0 0 "[ . 1 . 2]" 1
18 1 13 VAL QG 1 14 PRO HD2 . . 3.560 2.562 2.279 2.940 . 0 0 "[ . 1 . 2]" 1
19 1 13 VAL QG 1 14 PRO QG . . 5.440 3.929 3.489 4.257 . 0 0 "[ . 1 . 2]" 1
20 1 13 VAL QG 1 15 ALA H . . 4.990 4.869 2.661 5.072 0.082 17 0 "[ . 1 . 2]" 1
21 1 13 VAL QG 1 15 ALA HA . . 4.690 4.241 3.685 4.435 . 0 0 "[ . 1 . 2]" 1
22 1 13 VAL QG 1 16 ASP H . . 5.080 4.227 3.828 4.805 . 0 0 "[ . 1 . 2]" 1
23 1 13 VAL QG 1 17 MET H . . 4.640 3.645 3.404 4.063 . 0 0 "[ . 1 . 2]" 1
24 1 13 VAL QG 1 18 ILE H . . 5.060 4.197 3.776 4.600 . 0 0 "[ . 1 . 2]" 1
25 1 13 VAL QG 1 18 ILE HA . . 3.600 2.831 2.375 3.377 . 0 0 "[ . 1 . 2]" 1
26 1 13 VAL QG 1 19 ASN H . . 3.410 2.637 2.223 3.173 . 0 0 "[ . 1 . 2]" 1
27 1 13 VAL QG 1 19 ASN HA . . 4.360 3.319 3.128 3.622 . 0 0 "[ . 1 . 2]" 1
28 1 13 VAL QG 1 19 ASN HB2 . . 3.350 1.887 1.723 2.157 . 0 0 "[ . 1 . 2]" 1
29 1 13 VAL QG 1 19 ASN HB3 . . 3.660 2.747 2.327 3.171 . 0 0 "[ . 1 . 2]" 1
30 1 13 VAL QG 1 19 ASN HD21 . . 4.110 3.961 2.465 4.247 0.137 14 0 "[ . 1 . 2]" 1
31 1 13 VAL QG 1 19 ASN HD22 . . 4.560 4.234 3.696 4.568 0.008 11 0 "[ . 1 . 2]" 1
32 1 13 VAL QG 1 88 PHE HA . . 4.460 4.041 3.498 4.460 . 14 0 "[ . 1 . 2]" 1
33 1 13 VAL QG 1 89 GLY H . . 4.220 2.380 2.008 2.717 . 0 0 "[ . 1 . 2]" 1
34 1 13 VAL QG 1 89 GLY HA2 . . 3.530 2.012 1.833 2.386 . 0 0 "[ . 1 . 2]" 1
35 1 13 VAL QG 1 89 GLY HA3 . . 3.910 3.333 3.163 3.576 . 0 0 "[ . 1 . 2]" 1
36 1 13 VAL QG 1 90 LYS H . . 3.820 3.198 2.481 3.829 0.009 12 0 "[ . 1 . 2]" 1
37 1 13 VAL QG 1 90 LYS HA . . 5.050 3.677 2.641 4.419 . 0 0 "[ . 1 . 2]" 1
38 1 13 VAL QG 1 91 THR H . . 5.110 4.209 3.272 5.121 0.011 11 0 "[ . 1 . 2]" 1
39 1 13 VAL MG1 1 19 ASN HA . . 5.040 3.569 3.335 4.054 . 0 0 "[ . 1 . 2]" 1
40 1 13 VAL MG1 1 19 ASN HB2 . . 3.980 2.330 1.985 2.931 . 0 0 "[ . 1 . 2]" 1
41 1 13 VAL MG1 1 19 ASN HB3 . . 4.690 3.423 3.092 3.825 . 0 0 "[ . 1 . 2]" 1
42 1 13 VAL MG1 1 19 ASN HD21 . . 5.200 4.967 3.928 5.270 0.070 17 0 "[ . 1 . 2]" 1
43 1 13 VAL MG1 1 89 GLY HA2 . . 4.490 2.028 1.841 2.424 . 0 0 "[ . 1 . 2]" 1
44 1 13 VAL MG1 1 90 LYS H . . 4.980 3.292 2.552 3.978 . 0 0 "[ . 1 . 2]" 1
45 1 13 VAL MG2 1 19 ASN HA . . 5.040 3.983 3.530 4.389 . 0 0 "[ . 1 . 2]" 1
46 1 13 VAL MG2 1 19 ASN HB2 . . 3.980 2.017 1.760 2.373 . 0 0 "[ . 1 . 2]" 1
47 1 13 VAL MG2 1 19 ASN HB3 . . 4.690 2.911 2.393 3.399 . 0 0 "[ . 1 . 2]" 1
48 1 13 VAL MG2 1 19 ASN HD21 . . 5.200 4.189 2.491 4.579 . 0 0 "[ . 1 . 2]" 1
49 1 13 VAL MG2 1 89 GLY HA2 . . 4.490 3.406 3.167 3.626 . 0 0 "[ . 1 . 2]" 1
50 1 13 VAL MG2 1 90 LYS H . . 4.980 4.365 3.384 4.988 0.008 12 0 "[ . 1 . 2]" 1
51 1 14 PRO HA 1 15 ALA H . . 2.900 2.357 2.213 3.033 0.133 15 0 "[ . 1 . 2]" 1
52 1 14 PRO HA 1 16 ASP H . . 4.650 4.341 3.811 4.614 . 0 0 "[ . 1 . 2]" 1
53 1 14 PRO HB2 1 16 ASP H . . 4.190 2.991 2.149 3.348 . 0 0 "[ . 1 . 2]" 1
54 1 14 PRO HB2 1 17 MET H . . 3.830 3.213 2.527 3.880 0.050 15 0 "[ . 1 . 2]" 1
55 1 14 PRO HB3 1 16 ASP H . . 4.760 4.463 3.179 4.827 0.067 8 0 "[ . 1 . 2]" 1
56 1 14 PRO HB3 1 17 MET H . . 5.370 4.828 4.161 5.343 . 0 0 "[ . 1 . 2]" 1
57 1 14 PRO HD2 1 17 MET H . . 5.000 3.793 3.289 4.295 . 0 0 "[ . 1 . 2]" 1
58 1 14 PRO HD2 1 17 MET HG2 . . 5.310 3.762 2.987 4.839 . 0 0 "[ . 1 . 2]" 1
59 1 14 PRO HD2 1 17 MET HG3 . . 4.910 3.291 2.752 4.201 . 0 0 "[ . 1 . 2]" 1
60 1 14 PRO HD2 1 33 LEU QD . . 3.910 2.282 1.875 2.810 . 0 0 "[ . 1 . 2]" 1
61 1 14 PRO HD3 1 33 LEU MD1 . . 4.060 3.025 2.263 4.083 0.023 11 0 "[ . 1 . 2]" 1
62 1 14 PRO HD3 1 33 LEU QD . . 3.370 2.580 2.216 2.997 . 0 0 "[ . 1 . 2]" 1
63 1 14 PRO HD3 1 33 LEU MD2 . . 4.060 3.148 2.355 4.105 0.045 12 0 "[ . 1 . 2]" 1
64 1 14 PRO QG 1 16 ASP H . . 4.750 4.246 2.662 4.823 0.073 7 0 "[ . 1 . 2]" 1
65 1 14 PRO QG 1 17 MET H . . 4.110 3.759 2.404 4.151 0.041 2 0 "[ . 1 . 2]" 1
66 1 14 PRO QG 1 17 MET HG2 . . 3.630 2.880 2.177 3.661 0.031 19 0 "[ . 1 . 2]" 1
67 1 14 PRO QG 1 17 MET HG3 . . 3.560 2.681 2.081 3.418 . 0 0 "[ . 1 . 2]" 1
68 1 14 PRO QG 1 33 LEU QD . . 4.040 2.841 2.067 3.512 . 0 0 "[ . 1 . 2]" 1
69 1 15 ALA H 1 15 ALA MB . . 3.030 2.287 2.184 2.892 . 0 0 "[ . 1 . 2]" 1
70 1 15 ALA H 1 17 MET H . . 5.020 4.432 3.537 4.875 . 0 0 "[ . 1 . 2]" 1
71 1 15 ALA H 1 88 PHE QD . . 5.320 5.375 4.920 5.510 0.190 2 0 "[ . 1 . 2]" 1
72 1 15 ALA HA 1 17 MET H . . 4.730 3.612 3.474 3.796 . 0 0 "[ . 1 . 2]" 1
73 1 15 ALA MB 1 16 ASP H . . 3.770 3.476 2.797 3.576 . 0 0 "[ . 1 . 2]" 1
74 1 15 ALA MB 1 17 MET H . . 4.690 4.694 4.268 4.836 0.146 9 0 "[ . 1 . 2]" 1
75 1 16 ASP H 1 16 ASP HB2 . . 4.110 3.244 2.564 3.582 . 0 0 "[ . 1 . 2]" 1
76 1 16 ASP H 1 16 ASP QB . . 3.400 2.735 2.256 2.938 . 0 0 "[ . 1 . 2]" 1
77 1 16 ASP H 1 16 ASP HB3 . . 4.110 3.107 2.423 3.803 . 0 0 "[ . 1 . 2]" 1
78 1 16 ASP H 1 17 MET H . . 3.320 1.700 1.459 2.326 . 0 0 "[ . 1 . 2]" 1
79 1 16 ASP HA 1 88 PHE HB2 . . 4.980 4.448 3.184 5.081 0.101 2 0 "[ . 1 . 2]" 1
80 1 16 ASP HA 1 88 PHE HB3 . . 4.690 4.006 3.385 4.719 0.029 15 0 "[ . 1 . 2]" 1
81 1 16 ASP HA 1 88 PHE QD . . 4.680 3.554 2.850 4.457 . 0 0 "[ . 1 . 2]" 1
82 1 17 MET H 1 17 MET ME . . 5.090 4.933 4.748 5.096 0.006 19 0 "[ . 1 . 2]" 1
83 1 17 MET H 1 17 MET HG2 . . 4.570 2.784 2.189 3.751 . 0 0 "[ . 1 . 2]" 1
84 1 17 MET H 1 17 MET HG3 . . 4.380 3.931 2.861 4.243 . 0 0 "[ . 1 . 2]" 1
85 1 17 MET H 1 89 GLY H . . 5.010 4.152 3.580 4.807 . 0 0 "[ . 1 . 2]" 1
86 1 17 MET HA 1 17 MET ME . . 3.910 3.251 2.988 3.970 0.060 9 0 "[ . 1 . 2]" 1
87 1 17 MET HA 1 17 MET HG2 . . 4.140 3.081 2.567 3.655 . 0 0 "[ . 1 . 2]" 1
88 1 17 MET HA 1 17 MET HG3 . . 4.200 3.805 3.298 3.922 . 0 0 "[ . 1 . 2]" 1
89 1 17 MET HA 1 36 PRO HD2 . . 4.440 3.102 2.405 3.696 . 0 0 "[ . 1 . 2]" 1
90 1 17 MET HA 1 36 PRO HD3 . . 4.600 2.731 2.040 3.128 . 0 0 "[ . 1 . 2]" 1
91 1 17 MET QB 1 17 MET ME . . 2.670 2.080 1.906 2.138 . 0 0 "[ . 1 . 2]" 1
92 1 17 MET QB 1 18 ILE H . . 4.180 2.661 2.405 2.868 . 0 0 "[ . 1 . 2]" 1
93 1 17 MET QB 1 33 LEU HB3 . . 4.720 3.404 2.347 4.880 0.160 9 0 "[ . 1 . 2]" 1
94 1 17 MET QB 1 33 LEU QD . . 3.000 2.345 1.825 3.049 0.049 9 0 "[ . 1 . 2]" 1
95 1 17 MET ME 1 17 MET HG2 . . 3.450 3.346 2.377 3.413 . 0 0 "[ . 1 . 2]" 1
96 1 17 MET ME 1 17 MET HG3 . . 3.510 2.523 2.407 3.382 . 0 0 "[ . 1 . 2]" 1
97 1 17 MET ME 1 33 LEU H . . 5.150 4.926 4.648 5.164 0.014 7 0 "[ . 1 . 2]" 1
98 1 17 MET ME 1 33 LEU HB2 . . 4.690 3.672 2.921 4.442 . 0 0 "[ . 1 . 2]" 1
99 1 17 MET ME 1 33 LEU HB3 . . 3.350 2.916 2.300 3.407 0.057 17 0 "[ . 1 . 2]" 1
100 1 17 MET ME 1 33 LEU QD . . 3.320 2.978 2.470 3.400 0.080 2 0 "[ . 1 . 2]" 1
101 1 17 MET ME 1 34 PHE H . . 3.660 3.256 3.154 3.476 . 0 0 "[ . 1 . 2]" 1
102 1 17 MET ME 1 34 PHE HA . . 3.770 2.637 2.432 2.873 . 0 0 "[ . 1 . 2]" 1
103 1 17 MET ME 1 34 PHE QD . . 4.910 4.549 4.273 4.818 . 0 0 "[ . 1 . 2]" 1
104 1 17 MET ME 1 35 SER H . . 4.730 3.198 2.997 3.522 . 0 0 "[ . 1 . 2]" 1
105 1 17 MET ME 1 35 SER HA . . 3.970 3.015 2.804 3.268 . 0 0 "[ . 1 . 2]" 1
106 1 17 MET ME 1 35 SER HB2 . . 4.130 4.141 4.041 4.198 0.068 19 0 "[ . 1 . 2]" 1
107 1 17 MET ME 1 35 SER QB . . 3.610 2.983 2.718 3.649 0.039 5 0 "[ . 1 . 2]" 1
108 1 17 MET ME 1 35 SER HB3 . . 4.130 3.117 2.756 4.150 0.020 10 0 "[ . 1 . 2]" 1
109 1 17 MET HG2 1 18 ILE H . . 4.910 4.897 4.264 4.967 0.057 13 0 "[ . 1 . 2]" 1
110 1 17 MET HG2 1 33 LEU QD . . 4.160 3.821 2.914 4.318 0.158 19 0 "[ . 1 . 2]" 1
111 1 17 MET HG3 1 33 LEU HB3 . . 4.960 4.099 3.038 5.014 0.054 11 0 "[ . 1 . 2]" 1
112 1 17 MET HG3 1 33 LEU MD1 . . 4.610 3.214 2.135 3.914 . 0 0 "[ . 1 . 2]" 1
113 1 17 MET HG3 1 33 LEU QD . . 3.840 2.673 1.934 3.714 . 0 0 "[ . 1 . 2]" 1
114 1 17 MET HG3 1 33 LEU MD2 . . 4.610 3.372 2.184 4.617 0.007 19 0 "[ . 1 . 2]" 1
115 1 17 MET HG3 1 35 SER HA . . 5.500 5.353 4.728 5.564 0.064 15 0 "[ . 1 . 2]" 1
116 1 18 ILE H 1 18 ILE MD . . 3.910 3.079 2.930 3.290 . 0 0 "[ . 1 . 2]" 1
117 1 18 ILE H 1 18 ILE HG12 . . 5.260 3.659 3.434 3.818 . 0 0 "[ . 1 . 2]" 1
118 1 18 ILE H 1 18 ILE HG13 . . 4.620 2.032 1.876 2.183 . 0 0 "[ . 1 . 2]" 1
119 1 18 ILE H 1 18 ILE MG . . 4.330 3.040 2.816 3.183 . 0 0 "[ . 1 . 2]" 1
120 1 18 ILE H 1 33 LEU QD . . 4.750 3.975 3.189 4.722 . 0 0 "[ . 1 . 2]" 1
121 1 18 ILE H 1 34 PHE H . . 4.080 3.543 3.272 3.847 . 0 0 "[ . 1 . 2]" 1
122 1 18 ILE H 1 35 SER H . . 5.300 4.836 4.641 5.061 . 0 0 "[ . 1 . 2]" 1
123 1 18 ILE H 1 35 SER HA . . 4.620 2.881 2.598 3.217 . 0 0 "[ . 1 . 2]" 1
124 1 18 ILE H 1 36 PRO HB3 . . 4.720 4.775 4.685 4.803 0.083 7 0 "[ . 1 . 2]" 1
125 1 18 ILE H 1 36 PRO HD3 . . 4.890 2.711 2.535 2.898 . 0 0 "[ . 1 . 2]" 1
126 1 18 ILE HA 1 18 ILE MD . . 3.890 3.726 3.679 3.788 . 0 0 "[ . 1 . 2]" 1
127 1 18 ILE HA 1 19 ASN H . . 3.340 2.233 2.170 2.321 . 0 0 "[ . 1 . 2]" 1
128 1 18 ILE HA 1 88 PHE HA . . 5.330 3.012 2.013 3.455 . 0 0 "[ . 1 . 2]" 1
129 1 18 ILE HA 1 89 GLY H . . 4.660 2.753 2.518 3.295 . 0 0 "[ . 1 . 2]" 1
130 1 18 ILE HA 1 90 LYS H . . 4.260 3.646 3.248 4.268 0.008 8 0 "[ . 1 . 2]" 1
131 1 18 ILE HB 1 18 ILE MD . . 3.630 2.299 2.258 2.338 . 0 0 "[ . 1 . 2]" 1
132 1 18 ILE HB 1 36 PRO HD3 . . 4.680 4.716 4.528 4.754 0.074 2 0 "[ . 1 . 2]" 1
133 1 18 ILE MD 1 18 ILE MG . . 2.950 3.084 3.040 3.111 0.161 14 0 "[ . 1 . 2]" 1
134 1 18 ILE MD 1 20 LEU H . . 4.070 3.578 3.349 3.817 . 0 0 "[ . 1 . 2]" 1
135 1 18 ILE MD 1 20 LEU HB3 . . 4.630 3.052 2.897 3.186 . 0 0 "[ . 1 . 2]" 1
136 1 18 ILE MD 1 34 PHE H . . 5.300 2.984 2.819 3.138 . 0 0 "[ . 1 . 2]" 1
137 1 18 ILE MD 1 34 PHE HB2 . . 3.960 2.604 2.442 2.851 . 0 0 "[ . 1 . 2]" 1
138 1 18 ILE MD 1 34 PHE HB3 . . 4.030 3.497 3.257 3.735 . 0 0 "[ . 1 . 2]" 1
139 1 18 ILE MD 1 34 PHE QD . . 5.180 3.883 3.624 4.161 . 0 0 "[ . 1 . 2]" 1
140 1 18 ILE MD 1 35 SER H . . 4.820 4.244 4.019 4.559 . 0 0 "[ . 1 . 2]" 1
141 1 18 ILE MD 1 35 SER HA . . 4.530 4.091 3.788 4.325 . 0 0 "[ . 1 . 2]" 1
142 1 18 ILE MD 1 35 SER QB . . 5.340 5.085 4.776 5.300 . 0 0 "[ . 1 . 2]" 1
143 1 18 ILE MD 1 36 PRO HA . . 4.460 2.948 2.681 3.211 . 0 0 "[ . 1 . 2]" 1
144 1 18 ILE MD 1 36 PRO HD3 . . 5.240 3.984 3.820 4.217 . 0 0 "[ . 1 . 2]" 1
145 1 18 ILE MD 1 38 ASP H . . 4.910 4.685 4.495 4.914 0.004 10 0 "[ . 1 . 2]" 1
146 1 18 ILE MD 1 38 ASP QB . . 4.840 4.120 3.819 4.464 . 0 0 "[ . 1 . 2]" 1
147 1 18 ILE MD 1 81 LEU H . . 4.330 4.351 4.231 4.395 0.065 15 0 "[ . 1 . 2]" 1
148 1 18 ILE MD 1 81 LEU HA . . 4.280 4.418 4.380 4.453 0.173 12 0 "[ . 1 . 2]" 1
149 1 18 ILE MD 1 81 LEU HB2 . . 4.120 2.587 2.459 2.685 . 0 0 "[ . 1 . 2]" 1
150 1 18 ILE MD 1 81 LEU HB3 . . 3.910 2.487 2.410 2.554 . 0 0 "[ . 1 . 2]" 1
151 1 18 ILE MD 1 81 LEU HG . . 5.500 1.872 1.782 1.947 . 0 0 "[ . 1 . 2]" 1
152 1 18 ILE MD 1 86 LEU HB2 . . 4.670 4.303 3.142 4.679 0.009 17 0 "[ . 1 . 2]" 1
153 1 18 ILE MD 1 86 LEU HB3 . . 4.670 4.338 3.076 4.701 0.031 17 0 "[ . 1 . 2]" 1
154 1 18 ILE MD 1 92 THR HB . . 4.730 4.220 3.820 4.717 . 0 0 "[ . 1 . 2]" 1
155 1 18 ILE HG12 1 18 ILE MG . . 3.730 2.030 1.960 2.060 . 0 0 "[ . 1 . 2]" 1
156 1 18 ILE HG12 1 88 PHE QD . . 5.410 4.969 4.480 5.510 0.100 1 0 "[ . 1 . 2]" 1
157 1 18 ILE HG13 1 18 ILE MG . . 3.060 2.541 2.416 2.656 . 0 0 "[ . 1 . 2]" 1
158 1 18 ILE HG13 1 36 PRO HA . . 4.110 2.984 2.758 3.211 . 0 0 "[ . 1 . 2]" 1
159 1 18 ILE HG13 1 36 PRO HB3 . . 5.160 3.333 3.033 3.781 . 0 0 "[ . 1 . 2]" 1
160 1 18 ILE HG13 1 36 PRO HG3 . . 5.500 4.327 4.013 4.736 . 0 0 "[ . 1 . 2]" 1
161 1 18 ILE HG13 1 88 PHE HA . . 5.170 5.200 4.927 5.294 0.124 8 0 "[ . 1 . 2]" 1
162 1 18 ILE MG 1 35 SER HA . . 4.940 4.531 4.251 4.770 . 0 0 "[ . 1 . 2]" 1
163 1 18 ILE MG 1 36 PRO HA . . 3.760 3.493 3.282 3.726 . 0 0 "[ . 1 . 2]" 1
164 1 18 ILE MG 1 36 PRO HB2 . . 3.920 3.858 3.732 3.973 0.053 9 0 "[ . 1 . 2]" 1
165 1 18 ILE MG 1 36 PRO HD2 . . 5.180 4.117 3.795 4.303 . 0 0 "[ . 1 . 2]" 1
166 1 18 ILE MG 1 36 PRO HD3 . . 4.240 2.567 2.241 2.794 . 0 0 "[ . 1 . 2]" 1
167 1 18 ILE MG 1 36 PRO HG2 . . 4.440 4.389 4.130 4.472 0.032 8 0 "[ . 1 . 2]" 1
168 1 18 ILE MG 1 36 PRO HG3 . . 3.580 3.160 2.861 3.339 . 0 0 "[ . 1 . 2]" 1
169 1 18 ILE MG 1 81 LEU HG . . 5.500 4.866 4.579 5.048 . 0 0 "[ . 1 . 2]" 1
170 1 18 ILE MG 1 82 GLY H . . 4.890 4.938 4.872 4.974 0.084 1 0 "[ . 1 . 2]" 1
171 1 18 ILE MG 1 86 LEU QB . . 3.490 2.496 2.132 2.931 . 0 0 "[ . 1 . 2]" 1
172 1 18 ILE MG 1 87 PRO HA . . 5.500 4.158 3.402 4.484 . 0 0 "[ . 1 . 2]" 1
173 1 18 ILE MG 1 88 PHE HA . . 4.540 2.035 1.849 2.317 . 0 0 "[ . 1 . 2]" 1
174 1 18 ILE MG 1 88 PHE QD . . 3.870 2.433 1.846 3.406 . 0 0 "[ . 1 . 2]" 1
175 1 19 ASN H 1 19 ASN HB2 . . 3.990 2.646 2.552 2.860 . 0 0 "[ . 1 . 2]" 1
176 1 19 ASN H 1 19 ASN HB3 . . 4.040 2.553 2.395 2.722 . 0 0 "[ . 1 . 2]" 1
177 1 19 ASN H 1 90 LYS H . . 5.000 3.662 3.492 4.053 . 0 0 "[ . 1 . 2]" 1
178 1 19 ASN H 1 92 THR H . . 5.270 4.184 3.989 4.902 . 0 0 "[ . 1 . 2]" 1
179 1 19 ASN HA 1 19 ASN HD21 . . 4.530 2.943 1.974 4.449 . 0 0 "[ . 1 . 2]" 1
180 1 19 ASN HA 1 19 ASN HD22 . . 5.050 3.953 3.543 4.575 . 0 0 "[ . 1 . 2]" 1
181 1 19 ASN HA 1 20 LEU H . . 3.330 2.131 2.091 2.181 . 0 0 "[ . 1 . 2]" 1
182 1 19 ASN HA 1 33 LEU H . . 5.380 4.979 4.722 5.338 . 0 0 "[ . 1 . 2]" 1
183 1 19 ASN HA 1 33 LEU HA . . 4.030 2.455 2.176 2.783 . 0 0 "[ . 1 . 2]" 1
184 1 19 ASN HA 1 33 LEU HB2 . . 5.340 4.850 4.125 5.406 0.066 19 0 "[ . 1 . 2]" 1
185 1 19 ASN HA 1 33 LEU QD . . 3.590 2.351 2.092 2.828 . 0 0 "[ . 1 . 2]" 1
186 1 19 ASN HA 1 34 PHE H . . 4.210 3.306 2.976 3.580 . 0 0 "[ . 1 . 2]" 1
187 1 19 ASN HA 1 91 THR MG . . 5.120 4.813 4.463 5.197 0.077 18 0 "[ . 1 . 2]" 1
188 1 19 ASN HB2 1 20 LEU H . . 5.340 4.404 4.147 4.483 . 0 0 "[ . 1 . 2]" 1
189 1 19 ASN HB2 1 33 LEU QD . . 3.970 2.750 2.452 3.374 . 0 0 "[ . 1 . 2]" 1
190 1 19 ASN HB2 1 91 THR HA . . 4.520 3.544 3.398 3.706 . 0 0 "[ . 1 . 2]" 1
191 1 19 ASN HB2 1 92 THR H . . 4.910 4.991 4.918 5.055 0.145 17 0 "[ . 1 . 2]" 1
192 1 19 ASN HB3 1 91 THR HA . . 4.340 1.907 1.778 2.066 . 0 0 "[ . 1 . 2]" 1
193 1 19 ASN HB3 1 91 THR MG . . 5.020 3.032 2.409 3.715 . 0 0 "[ . 1 . 2]" 1
194 1 19 ASN HB3 1 92 THR H . . 4.520 3.394 3.292 3.481 . 0 0 "[ . 1 . 2]" 1
195 1 19 ASN HD21 1 31 GLU HB3 . . 5.270 5.285 5.105 5.476 0.206 10 0 "[ . 1 . 2]" 1
196 1 19 ASN HD21 1 31 GLU HG3 . . 5.070 3.614 3.225 4.736 . 0 0 "[ . 1 . 2]" 1
197 1 19 ASN HD21 1 91 THR MG . . 4.050 2.811 1.639 4.121 0.071 19 0 "[ . 1 . 2]" 1
198 1 19 ASN HD22 1 31 GLU HB2 . . 4.710 4.707 4.605 4.762 0.052 1 0 "[ . 1 . 2]" 1
199 1 19 ASN HD22 1 31 GLU HB3 . . 4.310 4.113 3.917 4.349 0.039 15 0 "[ . 1 . 2]" 1
200 1 19 ASN HD22 1 31 GLU HG2 . . 5.500 2.209 1.881 2.553 . 0 0 "[ . 1 . 2]" 1
201 1 19 ASN HD22 1 31 GLU HG3 . . 4.800 3.190 3.025 3.444 . 0 0 "[ . 1 . 2]" 1
202 1 19 ASN HD22 1 91 THR HA . . 5.360 4.566 3.979 5.190 . 0 0 "[ . 1 . 2]" 1
203 1 19 ASN HD22 1 91 THR MG . . 4.020 3.004 2.442 3.462 . 0 0 "[ . 1 . 2]" 1
204 1 20 LEU H 1 20 LEU HB3 . . 4.110 2.423 2.338 2.537 . 0 0 "[ . 1 . 2]" 1
205 1 20 LEU H 1 20 LEU MD1 . . 4.820 4.332 4.288 4.369 . 0 0 "[ . 1 . 2]" 1
206 1 20 LEU H 1 20 LEU MD2 . . 5.080 4.334 4.256 4.425 . 0 0 "[ . 1 . 2]" 1
207 1 20 LEU H 1 20 LEU HG . . 4.860 4.253 4.217 4.290 . 0 0 "[ . 1 . 2]" 1
208 1 20 LEU H 1 33 LEU H . . 5.500 5.041 4.828 5.217 . 0 0 "[ . 1 . 2]" 1
209 1 20 LEU H 1 33 LEU HA . . 4.600 3.111 2.922 3.457 . 0 0 "[ . 1 . 2]" 1
210 1 20 LEU H 1 33 LEU QD . . 4.410 3.808 3.510 4.260 . 0 0 "[ . 1 . 2]" 1
211 1 20 LEU H 1 34 PHE H . . 5.300 3.425 3.211 3.719 . 0 0 "[ . 1 . 2]" 1
212 1 20 LEU H 1 34 PHE HB2 . . 4.630 4.280 4.108 4.547 . 0 0 "[ . 1 . 2]" 1
213 1 20 LEU H 1 34 PHE QD . . 5.010 3.349 3.147 3.575 . 0 0 "[ . 1 . 2]" 1
214 1 20 LEU HA 1 20 LEU MD1 . . 3.590 2.265 2.233 2.308 . 0 0 "[ . 1 . 2]" 1
215 1 20 LEU HA 1 20 LEU MD2 . . 4.100 3.875 3.857 3.906 . 0 0 "[ . 1 . 2]" 1
216 1 20 LEU HA 1 91 THR MG . . 4.530 4.201 3.810 4.589 0.059 18 0 "[ . 1 . 2]" 1
217 1 20 LEU HA 1 92 THR H . . 5.500 2.913 2.713 3.182 . 0 0 "[ . 1 . 2]" 1
218 1 20 LEU HA 1 92 THR HB . . 4.990 3.217 2.751 3.848 . 0 0 "[ . 1 . 2]" 1
219 1 20 LEU HA 1 93 VAL HA . . 5.190 4.296 4.047 4.645 . 0 0 "[ . 1 . 2]" 1
220 1 20 LEU HB2 1 20 LEU MD2 . . 3.560 2.331 2.300 2.377 . 0 0 "[ . 1 . 2]" 1
221 1 20 LEU HB2 1 34 PHE QD . . 5.140 3.787 3.518 3.985 . 0 0 "[ . 1 . 2]" 1
222 1 20 LEU HB3 1 20 LEU MD2 . . 3.620 2.296 2.279 2.322 . 0 0 "[ . 1 . 2]" 1
223 1 20 LEU HB3 1 34 PHE QD . . 4.740 2.153 1.916 2.359 . 0 0 "[ . 1 . 2]" 1
224 1 20 LEU HB3 1 34 PHE QE . . 5.120 3.973 3.638 4.235 . 0 0 "[ . 1 . 2]" 1
225 1 20 LEU MD1 1 22 LEU H . . 4.180 4.324 4.286 4.354 0.174 17 0 "[ . 1 . 2]" 1
226 1 20 LEU MD1 1 22 LEU HA . . 3.710 3.646 3.582 3.717 0.007 6 0 "[ . 1 . 2]" 1
227 1 20 LEU MD1 1 23 ILE H . . 5.500 5.128 5.011 5.317 . 0 0 "[ . 1 . 2]" 1
228 1 20 LEU MD1 1 34 PHE QD . . 5.500 4.708 4.605 4.870 . 0 0 "[ . 1 . 2]" 1
229 1 20 LEU MD1 1 70 TYR QE . . 5.500 4.951 4.443 5.518 0.018 16 0 "[ . 1 . 2]" 1
230 1 20 LEU MD1 1 81 LEU HA . . 5.140 5.158 5.003 5.214 0.074 12 0 "[ . 1 . 2]" 1
231 1 20 LEU MD1 1 81 LEU QD . . 2.950 2.562 2.045 2.731 . 0 0 "[ . 1 . 2]" 1
232 1 20 LEU MD1 1 92 THR H . . 5.500 4.162 3.931 4.444 . 0 0 "[ . 1 . 2]" 1
233 1 20 LEU MD1 1 92 THR HB . . 3.740 3.054 2.594 3.515 . 0 0 "[ . 1 . 2]" 1
234 1 20 LEU MD1 1 92 THR MG . . 3.820 3.150 2.735 3.562 . 0 0 "[ . 1 . 2]" 1
235 1 20 LEU MD1 1 94 MET HB2 . . 3.800 2.328 2.123 2.463 . 0 0 "[ . 1 . 2]" 1
236 1 20 LEU MD1 1 94 MET HB3 . . 4.060 3.697 3.584 3.797 . 0 0 "[ . 1 . 2]" 1
237 1 20 LEU MD1 1 94 MET HG2 . . 4.270 3.643 3.504 4.003 . 0 0 "[ . 1 . 2]" 1
238 1 20 LEU MD1 1 94 MET HG3 . . 4.120 2.357 2.147 2.739 . 0 0 "[ . 1 . 2]" 1
239 1 20 LEU MD1 1 95 HIS H . . 5.500 5.507 5.369 5.559 0.059 8 0 "[ . 1 . 2]" 1
240 1 20 LEU MD2 1 22 LEU H . . 5.500 5.003 4.826 5.091 . 0 0 "[ . 1 . 2]" 1
241 1 20 LEU MD2 1 32 PHE QB . . 5.170 5.181 5.006 5.231 0.061 17 0 "[ . 1 . 2]" 1
242 1 20 LEU MD2 1 34 PHE H . . 5.500 4.927 4.691 5.156 . 0 0 "[ . 1 . 2]" 1
243 1 20 LEU MD2 1 34 PHE QD . . 4.090 2.830 2.729 2.938 . 0 0 "[ . 1 . 2]" 1
244 1 20 LEU MD2 1 34 PHE QE . . 4.420 3.844 3.659 3.960 . 0 0 "[ . 1 . 2]" 1
245 1 20 LEU MD2 1 34 PHE HZ . . 5.500 5.254 5.097 5.435 . 0 0 "[ . 1 . 2]" 1
246 1 20 LEU MD2 1 43 ILE HG12 . . 4.930 4.280 4.057 4.511 . 0 0 "[ . 1 . 2]" 1
247 1 20 LEU MD2 1 43 ILE MG . . 3.140 2.385 2.152 2.614 . 0 0 "[ . 1 . 2]" 1
248 1 20 LEU MD2 1 81 LEU H . . 5.500 4.945 4.854 5.059 . 0 0 "[ . 1 . 2]" 1
249 1 20 LEU HG 1 22 LEU H . . 4.100 3.832 3.681 3.913 . 0 0 "[ . 1 . 2]" 1
250 1 20 LEU HG 1 34 PHE QD . . 4.410 3.666 3.476 3.854 . 0 0 "[ . 1 . 2]" 1
251 1 21 ARG H 1 31 GLU HA . . 5.500 4.632 4.425 4.845 . 0 0 "[ . 1 . 2]" 1
252 1 21 ARG H 1 31 GLU HB2 . . 5.500 5.356 4.843 5.506 0.006 8 0 "[ . 1 . 2]" 1
253 1 21 ARG H 1 31 GLU HG2 . . 4.740 4.753 4.200 4.832 0.092 8 0 "[ . 1 . 2]" 1
254 1 21 ARG H 1 31 GLU HG3 . . 4.490 3.572 3.357 4.523 0.033 15 0 "[ . 1 . 2]" 1
255 1 21 ARG H 1 93 VAL HA . . 5.500 2.611 2.425 2.920 . 0 0 "[ . 1 . 2]" 1
256 1 21 ARG H 1 93 VAL QG . . 4.540 4.043 3.876 4.350 . 0 0 "[ . 1 . 2]" 1
257 1 21 ARG HA 1 21 ARG QD . . 3.740 3.816 3.787 3.859 0.119 11 0 "[ . 1 . 2]" 1
258 1 21 ARG HA 1 31 GLU HA . . 3.980 1.969 1.856 2.125 . 0 0 "[ . 1 . 2]" 1
259 1 21 ARG HA 1 31 GLU HG2 . . 4.940 3.532 3.235 3.666 . 0 0 "[ . 1 . 2]" 1
260 1 21 ARG HA 1 31 GLU HG3 . . 4.650 2.403 2.107 3.878 . 0 0 "[ . 1 . 2]" 1
261 1 21 ARG HA 1 93 VAL QG . . 4.830 4.611 4.296 4.877 0.047 13 0 "[ . 1 . 2]" 1
262 1 21 ARG QB 1 31 GLU HB2 . . 3.280 3.003 2.207 3.247 . 0 0 "[ . 1 . 2]" 1
263 1 21 ARG QB 1 91 THR MG . . 4.930 3.337 2.795 3.678 . 0 0 "[ . 1 . 2]" 1
264 1 21 ARG QB 1 93 VAL QG . . 5.060 2.316 2.087 2.722 . 0 0 "[ . 1 . 2]" 1
265 1 21 ARG QG 1 29 THR HA . . 4.890 4.039 3.614 4.392 . 0 0 "[ . 1 . 2]" 1
266 1 21 ARG QG 1 29 THR HB . . 4.560 2.931 2.405 4.599 0.039 12 0 "[ . 1 . 2]" 1
267 1 21 ARG QG 1 30 LYS H . . 3.530 3.322 2.730 3.549 0.019 18 0 "[ . 1 . 2]" 1
268 1 22 LEU H 1 22 LEU MD1 . . 4.020 3.720 3.670 3.775 . 0 0 "[ . 1 . 2]" 1
269 1 22 LEU H 1 22 LEU MD2 . . 4.260 2.171 2.109 2.215 . 0 0 "[ . 1 . 2]" 1
270 1 22 LEU H 1 22 LEU HG . . 4.210 4.115 4.046 4.174 . 0 0 "[ . 1 . 2]" 1
271 1 22 LEU H 1 31 GLU HA . . 4.580 2.831 2.638 3.027 . 0 0 "[ . 1 . 2]" 1
272 1 22 LEU H 1 31 GLU HG2 . . 5.220 5.273 5.076 5.352 0.132 10 0 "[ . 1 . 2]" 1
273 1 22 LEU HA 1 22 LEU MD1 . . 3.390 2.204 2.153 2.273 . 0 0 "[ . 1 . 2]" 1
274 1 22 LEU HA 1 22 LEU MD2 . . 4.700 2.990 2.879 3.072 . 0 0 "[ . 1 . 2]" 1
275 1 22 LEU HA 1 93 VAL QG . . 5.070 4.562 4.192 5.038 . 0 0 "[ . 1 . 2]" 1
276 1 22 LEU HA 1 94 MET H . . 4.360 3.482 3.317 3.953 . 0 0 "[ . 1 . 2]" 1
277 1 22 LEU HB2 1 23 ILE H . . 4.960 4.356 4.269 4.412 . 0 0 "[ . 1 . 2]" 1
278 1 22 LEU HB2 1 47 VAL HA . . 5.070 5.241 5.165 5.337 0.267 15 0 "[ . 1 . 2]" 1
279 1 22 LEU HB3 1 44 ALA H . . 5.120 5.226 5.186 5.271 0.151 2 0 "[ . 1 . 2]" 1
280 1 22 LEU HB3 1 44 ALA HA . . 4.810 3.291 3.106 3.489 . 0 0 "[ . 1 . 2]" 1
281 1 22 LEU HB3 1 47 VAL H . . 5.350 5.382 5.327 5.415 0.065 9 0 "[ . 1 . 2]" 1
282 1 22 LEU HB3 1 47 VAL MG2 . . 5.060 2.015 1.949 2.094 . 0 0 "[ . 1 . 2]" 1
283 1 22 LEU MD1 1 34 PHE QE . . 4.870 4.280 4.062 4.400 . 0 0 "[ . 1 . 2]" 1
284 1 22 LEU MD1 1 40 ALA HA . . 3.830 3.334 3.199 3.456 . 0 0 "[ . 1 . 2]" 1
285 1 22 LEU MD1 1 43 ILE HB . . 4.010 2.676 2.430 2.868 . 0 0 "[ . 1 . 2]" 1
286 1 22 LEU MD1 1 43 ILE MD . . 2.990 3.027 2.946 3.068 0.078 15 0 "[ . 1 . 2]" 1
287 1 22 LEU MD1 1 44 ALA H . . 4.240 3.531 3.375 3.664 . 0 0 "[ . 1 . 2]" 1
288 1 22 LEU MD1 1 44 ALA HA . . 3.930 3.239 2.949 3.477 . 0 0 "[ . 1 . 2]" 1
289 1 22 LEU MD1 1 47 VAL HB . . 5.390 5.152 5.084 5.300 . 0 0 "[ . 1 . 2]" 1
290 1 22 LEU MD1 1 96 LEU H . . 5.070 5.080 4.897 5.132 0.062 4 0 "[ . 1 . 2]" 1
291 1 22 LEU MD1 1 96 LEU HB2 . . 4.560 3.978 3.484 4.182 . 0 0 "[ . 1 . 2]" 1
292 1 22 LEU MD2 1 31 GLU HA . . 5.350 3.280 3.053 3.553 . 0 0 "[ . 1 . 2]" 1
293 1 22 LEU MD2 1 32 PHE QB . . 5.340 3.509 3.302 3.805 . 0 0 "[ . 1 . 2]" 1
294 1 22 LEU MD2 1 34 PHE QD . . 3.960 2.871 2.721 2.984 . 0 0 "[ . 1 . 2]" 1
295 1 22 LEU MD2 1 34 PHE QE . . 4.390 2.090 1.986 2.188 . 0 0 "[ . 1 . 2]" 1
296 1 22 LEU MD2 1 40 ALA HA . . 4.890 5.010 4.947 5.087 0.197 13 0 "[ . 1 . 2]" 1
297 1 22 LEU MD2 1 43 ILE HB . . 4.420 3.908 3.736 4.034 . 0 0 "[ . 1 . 2]" 1
298 1 22 LEU MD2 1 43 ILE MD . . 4.100 3.201 3.075 3.320 . 0 0 "[ . 1 . 2]" 1
299 1 22 LEU MD2 1 43 ILE MG . . 3.570 2.029 1.957 2.140 . 0 0 "[ . 1 . 2]" 1
300 1 22 LEU MD2 1 47 VAL MG1 . . 3.420 1.833 1.789 1.899 . 0 0 "[ . 1 . 2]" 1
301 1 22 LEU HG 1 23 ILE H . . 5.500 5.524 5.489 5.558 0.058 4 0 "[ . 1 . 2]" 1
302 1 22 LEU HG 1 48 TYR H . . 5.500 5.564 5.524 5.636 0.136 17 0 "[ . 1 . 2]" 1
303 1 23 ILE H 1 23 ILE HB . . 3.390 2.682 2.597 2.796 . 0 0 "[ . 1 . 2]" 1
304 1 23 ILE H 1 23 ILE MD . . 4.570 3.731 3.244 4.008 . 0 0 "[ . 1 . 2]" 1
305 1 23 ILE H 1 23 ILE HG12 . . 3.920 3.169 2.300 3.612 . 0 0 "[ . 1 . 2]" 1
306 1 23 ILE H 1 23 ILE HG13 . . 5.040 2.881 2.363 3.854 . 0 0 "[ . 1 . 2]" 1
307 1 23 ILE H 1 23 ILE MG . . 4.260 3.829 3.785 3.866 . 0 0 "[ . 1 . 2]" 1
308 1 23 ILE H 1 93 VAL QG . . 5.220 4.266 3.995 4.840 . 0 0 "[ . 1 . 2]" 1
309 1 23 ILE H 1 94 MET H . . 4.980 3.896 3.571 4.382 . 0 0 "[ . 1 . 2]" 1
310 1 23 ILE H 1 94 MET HB2 . . 5.500 4.301 4.051 4.782 . 0 0 "[ . 1 . 2]" 1
311 1 23 ILE H 1 95 HIS H . . 5.160 4.798 4.643 5.198 0.038 16 0 "[ . 1 . 2]" 1
312 1 23 ILE H 1 95 HIS HA . . 3.460 2.787 2.640 3.055 . 0 0 "[ . 1 . 2]" 1
313 1 23 ILE H 1 95 HIS HB3 . . 5.030 5.115 5.061 5.177 0.147 16 0 "[ . 1 . 2]" 1
314 1 23 ILE H 1 96 LEU H . . 4.170 3.303 3.013 3.673 . 0 0 "[ . 1 . 2]" 1
315 1 23 ILE H 1 96 LEU HB2 . . 4.760 4.130 3.691 4.595 . 0 0 "[ . 1 . 2]" 1
316 1 23 ILE HA 1 29 THR HA . . 4.080 2.267 2.130 2.537 . 0 0 "[ . 1 . 2]" 1
317 1 23 ILE HA 1 29 THR HB . . 4.890 3.927 3.708 4.528 . 0 0 "[ . 1 . 2]" 1
318 1 23 ILE HA 1 29 THR MG . . 4.350 2.902 2.681 3.195 . 0 0 "[ . 1 . 2]" 1
319 1 23 ILE HB 1 23 ILE MD . . 3.000 2.696 2.466 3.193 0.193 17 0 "[ . 1 . 2]" 1
320 1 23 ILE HB 1 29 THR MG . . 4.830 4.128 3.863 4.520 . 0 0 "[ . 1 . 2]" 1
321 1 23 ILE HB 1 95 HIS HA . . 5.010 2.149 1.952 2.364 . 0 0 "[ . 1 . 2]" 1
322 1 23 ILE HB 1 95 HIS HB3 . . 4.740 3.517 3.225 3.779 . 0 0 "[ . 1 . 2]" 1
323 1 23 ILE HB 1 96 LEU H . . 4.230 3.175 2.655 3.692 . 0 0 "[ . 1 . 2]" 1
324 1 23 ILE MD 1 23 ILE MG . . 3.340 1.925 1.843 2.022 . 0 0 "[ . 1 . 2]" 1
325 1 23 ILE MD 1 29 THR HA . . 5.410 4.073 2.638 4.887 . 0 0 "[ . 1 . 2]" 1
326 1 23 ILE MD 1 29 THR HB . . 5.210 3.742 2.255 4.944 . 0 0 "[ . 1 . 2]" 1
327 1 23 ILE MD 1 29 THR MG . . 3.600 2.357 1.754 3.113 . 0 0 "[ . 1 . 2]" 1
328 1 23 ILE MD 1 94 MET H . . 5.040 4.082 3.897 4.216 . 0 0 "[ . 1 . 2]" 1
329 1 23 ILE MD 1 95 HIS HD2 . . 4.630 3.993 3.057 4.729 0.099 10 0 "[ . 1 . 2]" 1
330 1 23 ILE HG12 1 29 THR MG . . 4.130 2.630 1.806 4.213 0.083 15 0 "[ . 1 . 2]" 1
331 1 23 ILE HG12 1 93 VAL QG . . 3.900 3.025 2.514 3.358 . 0 0 "[ . 1 . 2]" 1
332 1 23 ILE HG12 1 94 MET H . . 4.720 4.379 3.352 4.784 0.064 20 0 "[ . 1 . 2]" 1
333 1 23 ILE HG13 1 29 THR MG . . 4.180 3.604 3.197 3.916 . 0 0 "[ . 1 . 2]" 1
334 1 23 ILE HG13 1 93 VAL QG . . 5.130 2.734 2.362 3.334 . 0 0 "[ . 1 . 2]" 1
335 1 23 ILE MG 1 25 VAL HA . . 4.660 4.481 4.084 4.690 0.030 16 0 "[ . 1 . 2]" 1
336 1 23 ILE MG 1 27 GLY H . . 4.280 3.648 3.401 3.865 . 0 0 "[ . 1 . 2]" 1
337 1 23 ILE MG 1 27 GLY HA2 . . 4.450 3.053 2.687 3.173 . 0 0 "[ . 1 . 2]" 1
338 1 23 ILE MG 1 28 LYS HA . . 5.420 4.563 4.101 5.134 . 0 0 "[ . 1 . 2]" 1
339 1 23 ILE MG 1 29 THR HA . . 4.380 3.022 2.877 3.295 . 0 0 "[ . 1 . 2]" 1
340 1 23 ILE MG 1 29 THR HB . . 4.250 3.948 3.704 4.110 . 0 0 "[ . 1 . 2]" 1
341 1 23 ILE MG 1 29 THR MG . . 3.870 1.961 1.770 3.060 . 0 0 "[ . 1 . 2]" 1
342 1 23 ILE MG 1 30 LYS H . . 4.560 4.663 4.601 4.766 0.206 10 0 "[ . 1 . 2]" 1
343 1 23 ILE MG 1 95 HIS HA . . 4.700 3.789 3.624 4.012 . 0 0 "[ . 1 . 2]" 1
344 1 23 ILE MG 1 96 LEU H . . 5.170 4.202 4.045 4.500 . 0 0 "[ . 1 . 2]" 1
345 1 24 LEU H 1 27 GLY H . . 5.250 4.278 4.124 4.543 . 0 0 "[ . 1 . 2]" 1
346 1 24 LEU H 1 29 THR HA . . 4.630 3.053 2.900 3.283 . 0 0 "[ . 1 . 2]" 1
347 1 24 LEU H 1 29 THR HB . . 5.270 5.331 5.243 5.455 0.185 12 0 "[ . 1 . 2]" 1
348 1 24 LEU H 1 29 THR MG . . 4.850 3.964 3.577 4.403 . 0 0 "[ . 1 . 2]" 1
349 1 25 VAL H 1 25 VAL HB . . 3.620 3.213 2.429 3.673 0.053 15 0 "[ . 1 . 2]" 1
350 1 25 VAL H 1 25 VAL MG1 . . 3.900 2.743 2.066 3.797 . 0 0 "[ . 1 . 2]" 1
351 1 25 VAL H 1 25 VAL MG2 . . 3.900 2.123 1.920 3.744 . 0 0 "[ . 1 . 2]" 1
352 1 25 VAL H 1 26 SER H . . 4.780 2.627 2.456 2.929 . 0 0 "[ . 1 . 2]" 1
353 1 25 VAL H 1 27 GLY H . . 5.240 4.162 4.015 4.274 . 0 0 "[ . 1 . 2]" 1
354 1 25 VAL HA 1 25 VAL MG1 . . 3.310 2.408 2.291 3.230 . 0 0 "[ . 1 . 2]" 1
355 1 25 VAL HA 1 25 VAL MG2 . . 3.310 2.906 2.365 3.235 . 0 0 "[ . 1 . 2]" 1
356 1 25 VAL HA 1 27 GLY H . . 4.260 3.441 3.243 3.735 . 0 0 "[ . 1 . 2]" 1
357 1 25 VAL HB 1 27 GLY H . . 5.310 5.038 4.807 5.318 0.008 12 0 "[ . 1 . 2]" 1
358 1 25 VAL QG 1 26 SER H . . 5.440 2.882 2.354 3.497 . 0 0 "[ . 1 . 2]" 1
359 1 25 VAL QG 1 27 GLY H . . 4.610 4.165 3.929 4.345 . 0 0 "[ . 1 . 2]" 1
360 1 25 VAL QG 1 97 VAL HA . . 5.030 2.073 1.809 2.682 . 0 0 "[ . 1 . 2]" 1
361 1 25 VAL QG 1 97 VAL MG1 . . 4.600 2.490 1.905 3.874 . 0 0 "[ . 1 . 2]" 1
362 1 25 VAL QG 1 98 ALA H . . 5.440 2.155 1.667 3.233 . 0 0 "[ . 1 . 2]" 1
363 1 26 SER H 1 27 GLY H . . 3.940 2.547 2.364 2.735 . 0 0 "[ . 1 . 2]" 1
364 1 26 SER HA 1 28 LYS H . . 4.800 4.441 4.280 4.661 . 0 0 "[ . 1 . 2]" 1
365 1 26 SER HA 1 28 LYS QD . . 5.500 4.838 3.845 5.633 0.133 14 0 "[ . 1 . 2]" 1
366 1 26 SER QB 1 28 LYS HA . . 4.930 4.866 4.499 5.067 0.137 11 0 "[ . 1 . 2]" 1
367 1 27 GLY H 1 28 LYS H . . 3.870 2.378 2.226 2.543 . 0 0 "[ . 1 . 2]" 1
368 1 28 LYS HA 1 28 LYS QD . . 3.760 2.655 2.063 3.880 0.120 5 0 "[ . 1 . 2]" 1
369 1 28 LYS HA 1 29 THR H . . 3.290 2.210 2.131 2.348 . 0 0 "[ . 1 . 2]" 1
370 1 29 THR H 1 29 THR HB . . 3.920 3.623 2.613 3.740 . 0 0 "[ . 1 . 2]" 1
371 1 29 THR H 1 29 THR MG . . 4.240 2.646 2.360 3.849 . 0 0 "[ . 1 . 2]" 1
372 1 30 LYS H 1 30 LYS QG . . 4.450 3.628 2.715 4.330 . 0 0 "[ . 1 . 2]" 1
373 1 30 LYS HA 1 30 LYS QD . . 4.820 3.341 1.922 4.270 . 0 0 "[ . 1 . 2]" 1
374 1 31 GLU HG2 1 91 THR MG . . 5.220 4.037 3.604 4.414 . 0 0 "[ . 1 . 2]" 1
375 1 31 GLU HG3 1 91 THR MG . . 5.410 3.649 3.013 4.122 . 0 0 "[ . 1 . 2]" 1
376 1 32 PHE HA 1 33 LEU H . . 3.220 2.340 2.273 2.387 . 0 0 "[ . 1 . 2]" 1
377 1 32 PHE QB 1 34 PHE QD . . 3.490 3.190 3.078 3.410 . 0 0 "[ . 1 . 2]" 1
378 1 32 PHE HB2 1 34 PHE QD . . 4.220 3.303 3.159 3.603 . 0 0 "[ . 1 . 2]" 1
379 1 32 PHE HB2 1 34 PHE QE . . 4.020 2.017 1.890 2.265 . 0 0 "[ . 1 . 2]" 1
380 1 32 PHE HB2 1 34 PHE HZ . . 4.950 2.943 2.687 3.095 . 0 0 "[ . 1 . 2]" 1
381 1 32 PHE HB3 1 34 PHE QD . . 4.220 4.227 4.042 4.260 0.040 7 0 "[ . 1 . 2]" 1
382 1 32 PHE HB3 1 34 PHE QE . . 4.020 3.573 3.353 3.812 . 0 0 "[ . 1 . 2]" 1
383 1 32 PHE HB3 1 34 PHE HZ . . 4.950 3.996 3.766 4.256 . 0 0 "[ . 1 . 2]" 1
384 1 33 LEU H 1 33 LEU HB2 . . 3.290 2.497 2.386 2.591 . 0 0 "[ . 1 . 2]" 1
385 1 33 LEU H 1 33 LEU HB3 . . 4.000 3.103 2.439 3.639 . 0 0 "[ . 1 . 2]" 1
386 1 33 LEU H 1 33 LEU MD1 . . 4.440 3.906 3.631 4.124 . 0 0 "[ . 1 . 2]" 1
387 1 33 LEU H 1 33 LEU QD . . 3.770 3.402 3.042 3.734 . 0 0 "[ . 1 . 2]" 1
388 1 33 LEU H 1 33 LEU MD2 . . 4.440 3.772 3.207 4.268 . 0 0 "[ . 1 . 2]" 1
389 1 33 LEU H 1 33 LEU HG . . 4.870 3.376 2.369 4.525 . 0 0 "[ . 1 . 2]" 1
390 1 33 LEU H 1 34 PHE H . . 5.160 4.454 4.413 4.486 . 0 0 "[ . 1 . 2]" 1
391 1 33 LEU HA 1 33 LEU MD1 . . 4.210 3.048 2.010 3.882 . 0 0 "[ . 1 . 2]" 1
392 1 33 LEU HA 1 33 LEU QD . . 3.290 2.069 2.004 2.128 . 0 0 "[ . 1 . 2]" 1
393 1 33 LEU HA 1 33 LEU MD2 . . 4.210 2.899 2.023 3.897 . 0 0 "[ . 1 . 2]" 1
394 1 33 LEU HA 1 34 PHE H . . 3.440 2.179 2.125 2.238 . 0 0 "[ . 1 . 2]" 1
395 1 33 LEU HB2 1 33 LEU QD . . 2.810 2.191 2.085 2.299 . 0 0 "[ . 1 . 2]" 1
396 1 33 LEU HB2 1 34 PHE H . . 5.500 4.269 4.125 4.455 . 0 0 "[ . 1 . 2]" 1
397 1 33 LEU HB3 1 34 PHE H . . 4.380 3.685 3.266 4.193 . 0 0 "[ . 1 . 2]" 1
398 1 33 LEU QD 1 34 PHE H . . 3.780 3.194 2.443 3.721 . 0 0 "[ . 1 . 2]" 1
399 1 34 PHE H 1 34 PHE HB2 . . 3.840 2.686 2.635 2.736 . 0 0 "[ . 1 . 2]" 1
400 1 34 PHE H 1 34 PHE QD . . 4.630 3.398 3.268 3.516 . 0 0 "[ . 1 . 2]" 1
401 1 34 PHE HB2 1 35 SER H . . 4.010 3.567 3.418 3.702 . 0 0 "[ . 1 . 2]" 1
402 1 34 PHE HB2 1 38 ASP QB . . 5.300 3.941 3.669 4.275 . 0 0 "[ . 1 . 2]" 1
403 1 34 PHE HB3 1 35 SER H . . 3.730 2.291 2.141 2.438 . 0 0 "[ . 1 . 2]" 1
404 1 34 PHE HB3 1 38 ASP H . . 5.030 4.522 4.353 4.711 . 0 0 "[ . 1 . 2]" 1
405 1 34 PHE HB3 1 38 ASP HB2 . . 5.500 2.760 2.522 3.006 . 0 0 "[ . 1 . 2]" 1
406 1 34 PHE HB3 1 38 ASP QB . . 4.760 2.698 2.471 2.935 . 0 0 "[ . 1 . 2]" 1
407 1 34 PHE HB3 1 38 ASP HB3 . . 5.500 3.811 3.504 4.120 . 0 0 "[ . 1 . 2]" 1
408 1 34 PHE HB3 1 43 ILE MD . . 4.950 2.657 2.485 2.860 . 0 0 "[ . 1 . 2]" 1
409 1 34 PHE HB3 1 81 LEU QD . . 5.440 3.494 3.198 4.079 . 0 0 "[ . 1 . 2]" 1
410 1 34 PHE QD 1 35 SER H . . 5.500 3.489 3.292 3.622 . 0 0 "[ . 1 . 2]" 1
411 1 34 PHE QD 1 38 ASP HB2 . . 4.140 4.018 3.847 4.113 . 0 0 "[ . 1 . 2]" 1
412 1 34 PHE QD 1 38 ASP QB . . 3.620 3.617 3.431 3.670 0.050 9 0 "[ . 1 . 2]" 1
413 1 34 PHE QD 1 38 ASP HB3 . . 4.140 4.107 3.855 4.182 0.042 1 0 "[ . 1 . 2]" 1
414 1 34 PHE QD 1 43 ILE HA . . 5.190 5.047 4.723 5.269 0.079 18 0 "[ . 1 . 2]" 1
415 1 34 PHE QD 1 43 ILE MD . . 4.570 2.992 2.844 3.140 . 0 0 "[ . 1 . 2]" 1
416 1 34 PHE QD 1 43 ILE HG12 . . 4.850 3.395 3.114 3.650 . 0 0 "[ . 1 . 2]" 1
417 1 34 PHE QD 1 43 ILE HG13 . . 5.340 4.851 4.630 5.110 . 0 0 "[ . 1 . 2]" 1
418 1 34 PHE QD 1 43 ILE MG . . 4.430 3.115 2.985 3.187 . 0 0 "[ . 1 . 2]" 1
419 1 34 PHE QD 1 47 VAL MG1 . . 4.090 4.208 4.156 4.311 0.221 4 0 "[ . 1 . 2]" 1
420 1 34 PHE QD 1 81 LEU QD . . 5.310 4.311 4.099 4.526 . 0 0 "[ . 1 . 2]" 1
421 1 34 PHE QE 1 43 ILE MD . . 5.020 3.729 3.590 3.819 . 0 0 "[ . 1 . 2]" 1
422 1 34 PHE QE 1 43 ILE HG12 . . 4.750 3.620 3.388 3.855 . 0 0 "[ . 1 . 2]" 1
423 1 34 PHE QE 1 43 ILE MG . . 3.930 2.617 2.552 2.649 . 0 0 "[ . 1 . 2]" 1
424 1 34 PHE QE 1 47 VAL MG1 . . 4.500 2.521 2.426 2.661 . 0 0 "[ . 1 . 2]" 1
425 1 34 PHE QE 1 47 VAL MG2 . . 4.830 4.470 4.385 4.576 . 0 0 "[ . 1 . 2]" 1
426 1 34 PHE HZ 1 43 ILE MG . . 3.950 2.592 2.460 2.671 . 0 0 "[ . 1 . 2]" 1
427 1 34 PHE HZ 1 47 VAL H . . 5.130 4.322 4.100 4.674 . 0 0 "[ . 1 . 2]" 1
428 1 34 PHE HZ 1 47 VAL MG1 . . 3.980 2.109 2.017 2.215 . 0 0 "[ . 1 . 2]" 1
429 1 34 PHE HZ 1 47 VAL MG2 . . 4.270 4.375 4.341 4.429 0.159 4 0 "[ . 1 . 2]" 1
430 1 35 SER H 1 35 SER HB2 . . 3.740 3.424 2.403 3.713 . 0 0 "[ . 1 . 2]" 1
431 1 35 SER H 1 35 SER QB . . 3.210 2.657 2.366 2.800 . 0 0 "[ . 1 . 2]" 1
432 1 35 SER H 1 35 SER HB3 . . 3.740 2.959 2.656 3.605 . 0 0 "[ . 1 . 2]" 1
433 1 35 SER H 1 36 PRO HD2 . . 5.380 4.748 4.677 4.831 . 0 0 "[ . 1 . 2]" 1
434 1 35 SER H 1 37 ASN H . . 5.390 4.538 4.317 4.891 . 0 0 "[ . 1 . 2]" 1
435 1 35 SER H 1 38 ASP H . . 4.650 3.843 3.613 4.321 . 0 0 "[ . 1 . 2]" 1
436 1 35 SER H 1 38 ASP QB . . 4.410 3.194 2.996 3.428 . 0 0 "[ . 1 . 2]" 1
437 1 35 SER H 1 43 ILE MD . . 5.070 4.259 4.105 4.366 . 0 0 "[ . 1 . 2]" 1
438 1 35 SER HA 1 36 PRO HD2 . . 3.580 2.215 2.096 2.297 . 0 0 "[ . 1 . 2]" 1
439 1 35 SER HA 1 36 PRO HD3 . . 3.590 2.549 2.475 2.623 . 0 0 "[ . 1 . 2]" 1
440 1 35 SER HA 1 37 ASN H . . 4.730 3.823 3.754 3.941 . 0 0 "[ . 1 . 2]" 1
441 1 35 SER HA 1 38 ASP H . . 5.330 4.661 4.442 4.817 . 0 0 "[ . 1 . 2]" 1
442 1 35 SER QB 1 36 PRO HD2 . . 4.290 2.285 2.053 2.600 . 0 0 "[ . 1 . 2]" 1
443 1 35 SER QB 1 36 PRO HD3 . . 4.510 3.700 3.526 3.942 . 0 0 "[ . 1 . 2]" 1
444 1 35 SER QB 1 37 ASN H . . 3.510 2.643 2.503 2.741 . 0 0 "[ . 1 . 2]" 1
445 1 35 SER QB 1 38 ASP H . . 3.950 3.688 2.938 3.957 0.007 19 0 "[ . 1 . 2]" 1
446 1 35 SER QB 1 38 ASP QB . . 4.910 4.466 3.537 4.783 . 0 0 "[ . 1 . 2]" 1
447 1 35 SER HB2 1 37 ASN H . . 4.050 2.781 2.527 3.304 . 0 0 "[ . 1 . 2]" 1
448 1 35 SER HB2 1 38 ASP H . . 4.730 3.894 3.040 4.236 . 0 0 "[ . 1 . 2]" 1
449 1 35 SER HB3 1 37 ASN H . . 4.050 3.833 2.701 4.099 0.049 2 0 "[ . 1 . 2]" 1
450 1 35 SER HB3 1 38 ASP H . . 4.730 4.580 3.892 4.767 0.037 16 0 "[ . 1 . 2]" 1
451 1 36 PRO HA 1 38 ASP H . . 4.870 3.801 3.663 3.878 . 0 0 "[ . 1 . 2]" 1
452 1 36 PRO HA 1 81 LEU H . . 4.680 3.577 3.424 3.820 . 0 0 "[ . 1 . 2]" 1
453 1 36 PRO HA 1 81 LEU HB2 . . 3.580 1.916 1.814 2.015 . 0 0 "[ . 1 . 2]" 1
454 1 36 PRO HA 1 81 LEU HB3 . . 4.410 3.368 2.819 3.607 . 0 0 "[ . 1 . 2]" 1
455 1 36 PRO HA 1 81 LEU QD . . 5.100 2.908 2.465 3.514 . 0 0 "[ . 1 . 2]" 1
456 1 36 PRO HA 1 81 LEU HG . . 5.500 3.913 3.673 4.077 . 0 0 "[ . 1 . 2]" 1
457 1 36 PRO HA 1 82 GLY H . . 4.010 2.963 2.824 3.166 . 0 0 "[ . 1 . 2]" 1
458 1 36 PRO HA 1 86 LEU QD . . 4.900 4.482 4.060 4.919 0.019 7 0 "[ . 1 . 2]" 1
459 1 36 PRO HB2 1 82 GLY H . . 4.960 3.063 2.738 3.358 . 0 0 "[ . 1 . 2]" 1
460 1 36 PRO HB2 1 82 GLY QA . . 4.110 2.448 2.148 2.787 . 0 0 "[ . 1 . 2]" 1
461 1 36 PRO HB3 1 82 GLY H . . 4.280 3.729 3.485 3.950 . 0 0 "[ . 1 . 2]" 1
462 1 36 PRO HB3 1 82 GLY QA . . 4.050 3.116 2.817 3.381 . 0 0 "[ . 1 . 2]" 1
463 1 36 PRO HB3 1 88 PHE QD . . 4.520 3.772 3.166 4.613 0.093 2 0 "[ . 1 . 2]" 1
464 1 36 PRO HD2 1 88 PHE QD . . 5.270 4.834 4.264 5.325 0.055 18 0 "[ . 1 . 2]" 1
465 1 36 PRO HD3 1 38 ASP H . . 5.500 5.498 5.378 5.546 0.046 13 0 "[ . 1 . 2]" 1
466 1 36 PRO HD3 1 88 PHE QD . . 4.960 3.783 3.319 4.539 . 0 0 "[ . 1 . 2]" 1
467 1 36 PRO HG3 1 88 PHE QD . . 4.450 3.024 2.157 3.758 . 0 0 "[ . 1 . 2]" 1
468 1 37 ASN H 1 37 ASN HB2 . . 3.800 2.568 2.374 2.743 . 0 0 "[ . 1 . 2]" 1
469 1 37 ASN H 1 37 ASN QB . . 3.220 2.338 2.240 2.472 . 0 0 "[ . 1 . 2]" 1
470 1 37 ASN H 1 37 ASN HB3 . . 3.800 2.997 2.385 3.684 . 0 0 "[ . 1 . 2]" 1
471 1 37 ASN H 1 38 ASP H . . 3.370 2.380 2.303 2.507 . 0 0 "[ . 1 . 2]" 1
472 1 37 ASN H 1 82 GLY H . . 5.270 4.896 4.669 5.237 . 0 0 "[ . 1 . 2]" 1
473 1 37 ASN QB 1 38 ASP H . . 4.340 3.181 2.945 3.378 . 0 0 "[ . 1 . 2]" 1
474 1 38 ASP H 1 38 ASP HB2 . . 3.830 2.449 2.385 2.531 . 0 0 "[ . 1 . 2]" 1
475 1 38 ASP H 1 38 ASP QB . . 3.280 2.414 2.354 2.489 . 0 0 "[ . 1 . 2]" 1
476 1 38 ASP H 1 38 ASP HB3 . . 3.830 3.653 3.618 3.685 . 0 0 "[ . 1 . 2]" 1
477 1 38 ASP H 1 81 LEU HB2 . . 4.940 4.618 4.137 4.844 . 0 0 "[ . 1 . 2]" 1
478 1 38 ASP QB 1 42 ASP HB3 . . 4.780 4.381 3.843 4.830 0.050 12 0 "[ . 1 . 2]" 1
479 1 38 ASP QB 1 43 ILE H . . 5.140 4.474 4.115 4.670 . 0 0 "[ . 1 . 2]" 1
480 1 38 ASP QB 1 43 ILE MD . . 4.400 1.889 1.820 2.034 . 0 0 "[ . 1 . 2]" 1
481 1 38 ASP QB 1 43 ILE HG13 . . 4.660 2.676 2.316 2.801 . 0 0 "[ . 1 . 2]" 1
482 1 38 ASP HB2 1 43 ILE MD . . 5.040 2.093 1.955 2.256 . 0 0 "[ . 1 . 2]" 1
483 1 38 ASP HB2 1 43 ILE HG13 . . 5.290 3.923 3.686 4.104 . 0 0 "[ . 1 . 2]" 1
484 1 38 ASP HB3 1 43 ILE MD . . 5.040 2.167 1.977 2.428 . 0 0 "[ . 1 . 2]" 1
485 1 38 ASP HB3 1 43 ILE HG13 . . 5.290 2.725 2.341 2.862 . 0 0 "[ . 1 . 2]" 1
486 1 39 SER H 1 42 ASP H . . 5.070 4.688 4.314 4.932 . 0 0 "[ . 1 . 2]" 1
487 1 39 SER H 1 42 ASP HB2 . . 4.280 4.191 3.138 4.377 0.097 9 0 "[ . 1 . 2]" 1
488 1 39 SER H 1 42 ASP HB3 . . 4.530 3.269 2.741 4.526 . 0 0 "[ . 1 . 2]" 1
489 1 39 SER H 1 43 ILE H . . 5.240 4.383 4.148 4.517 . 0 0 "[ . 1 . 2]" 1
490 1 39 SER H 1 80 THR MG . . 5.000 3.931 3.598 4.285 . 0 0 "[ . 1 . 2]" 1
491 1 39 SER HA 1 79 VAL H . . 5.390 5.251 4.688 5.455 0.065 3 0 "[ . 1 . 2]" 1
492 1 39 SER QB 1 41 SER QB . . 4.550 4.489 4.203 4.677 0.127 1 0 "[ . 1 . 2]" 1
493 1 39 SER QB 1 78 ASN HA . . 4.730 3.418 2.685 4.423 . 0 0 "[ . 1 . 2]" 1
494 1 39 SER QB 1 80 THR MG . . 4.160 3.530 2.318 4.149 . 0 0 "[ . 1 . 2]" 1
495 1 39 SER HB2 1 78 ASN HA . . 5.500 4.506 2.715 5.537 0.037 18 0 "[ . 1 . 2]" 1
496 1 39 SER HB3 1 78 ASN HA . . 5.500 3.915 2.735 5.545 0.045 9 0 "[ . 1 . 2]" 1
497 1 40 ALA H 1 40 ALA MB . . 3.220 2.147 2.106 2.190 . 0 0 "[ . 1 . 2]" 1
498 1 40 ALA H 1 41 SER H . . 3.850 3.064 2.881 3.237 . 0 0 "[ . 1 . 2]" 1
499 1 40 ALA H 1 43 ILE MD . . 5.070 3.861 3.634 4.047 . 0 0 "[ . 1 . 2]" 1
500 1 40 ALA H 1 79 VAL H . . 4.820 4.467 3.724 4.846 0.026 8 0 "[ . 1 . 2]" 1
501 1 40 ALA H 1 80 THR HA . . 4.690 3.075 2.835 3.305 . 0 0 "[ . 1 . 2]" 1
502 1 40 ALA H 1 80 THR MG . . 4.500 4.259 3.965 4.524 0.024 12 0 "[ . 1 . 2]" 1
503 1 40 ALA HA 1 43 ILE H . . 4.310 3.640 3.514 3.732 . 0 0 "[ . 1 . 2]" 1
504 1 40 ALA HA 1 43 ILE HB . . 4.160 2.626 2.423 2.851 . 0 0 "[ . 1 . 2]" 1
505 1 40 ALA HA 1 43 ILE MD . . 3.450 2.253 2.083 2.481 . 0 0 "[ . 1 . 2]" 1
506 1 40 ALA HA 1 43 ILE MG . . 4.470 3.846 3.654 4.068 . 0 0 "[ . 1 . 2]" 1
507 1 40 ALA HA 1 44 ALA H . . 5.140 4.147 3.844 4.462 . 0 0 "[ . 1 . 2]" 1
508 1 40 ALA HA 1 81 LEU HG . . 5.500 5.131 4.926 5.431 . 0 0 "[ . 1 . 2]" 1
509 1 40 ALA MB 1 41 SER H . . 3.550 2.388 2.135 2.588 . 0 0 "[ . 1 . 2]" 1
510 1 40 ALA MB 1 43 ILE H . . 4.680 4.607 4.550 4.694 0.014 20 0 "[ . 1 . 2]" 1
511 1 40 ALA MB 1 43 ILE MD . . 4.070 3.589 3.441 3.809 . 0 0 "[ . 1 . 2]" 1
512 1 40 ALA MB 1 68 LEU MD1 . . 3.640 3.088 1.811 3.583 . 0 0 "[ . 1 . 2]" 1
513 1 40 ALA MB 1 68 LEU QD . . 2.920 1.733 1.680 2.200 . 0 0 "[ . 1 . 2]" 1
514 1 40 ALA MB 1 68 LEU MD2 . . 3.640 1.814 1.693 3.227 . 0 0 "[ . 1 . 2]" 1
515 1 40 ALA MB 1 78 ASN H . . 5.100 5.276 5.218 5.341 0.241 10 0 "[ . 1 . 2]" 1
516 1 40 ALA MB 1 78 ASN HA . . 5.440 3.816 2.954 4.601 . 0 0 "[ . 1 . 2]" 1
517 1 40 ALA MB 1 79 VAL H . . 4.200 3.781 2.970 4.276 0.076 5 0 "[ . 1 . 2]" 1
518 1 41 SER H 1 41 SER QB . . 3.020 2.604 2.296 2.766 . 0 0 "[ . 1 . 2]" 1
519 1 41 SER H 1 42 ASP H . . 3.610 2.527 2.398 2.675 . 0 0 "[ . 1 . 2]" 1
520 1 41 SER H 1 43 ILE H . . 4.480 4.014 3.812 4.193 . 0 0 "[ . 1 . 2]" 1
521 1 41 SER H 1 44 ALA MB . . 4.950 4.583 4.364 4.896 . 0 0 "[ . 1 . 2]" 1
522 1 41 SER H 1 68 LEU QD . . 3.640 2.760 2.417 3.427 . 0 0 "[ . 1 . 2]" 1
523 1 41 SER H 1 79 VAL H . . 5.100 4.561 3.706 4.953 . 0 0 "[ . 1 . 2]" 1
524 1 41 SER HA 1 43 ILE H . . 5.490 4.273 4.029 4.453 . 0 0 "[ . 1 . 2]" 1
525 1 41 SER HA 1 66 LEU HA . . 5.500 5.114 4.524 5.572 0.072 11 0 "[ . 1 . 2]" 1
526 1 41 SER HA 1 68 LEU HB3 . . 4.650 3.863 3.330 4.667 0.017 13 0 "[ . 1 . 2]" 1
527 1 41 SER HA 1 68 LEU QD . . 4.460 4.139 3.232 4.506 0.046 16 0 "[ . 1 . 2]" 1
528 1 41 SER HA 1 96 LEU HG . . 4.380 3.902 3.002 4.460 0.080 13 0 "[ . 1 . 2]" 1
529 1 41 SER QB 1 67 ARG H . . 4.390 3.610 3.058 4.360 . 0 0 "[ . 1 . 2]" 1
530 1 41 SER QB 1 67 ARG QB . . 5.020 5.077 4.964 5.173 0.153 12 0 "[ . 1 . 2]" 1
531 1 41 SER QB 1 68 LEU QD . . 4.840 3.363 2.230 4.062 . 0 0 "[ . 1 . 2]" 1
532 1 41 SER HB2 1 66 LEU HA . . 4.440 4.104 2.869 4.592 0.152 6 0 "[ . 1 . 2]" 1
533 1 41 SER HB3 1 66 LEU HA . . 4.440 3.664 2.857 4.490 0.050 11 0 "[ . 1 . 2]" 1
534 1 42 ASP H 1 42 ASP HB2 . . 3.770 2.554 2.400 2.669 . 0 0 "[ . 1 . 2]" 1
535 1 42 ASP H 1 42 ASP HB3 . . 3.950 2.539 2.402 3.618 . 0 0 "[ . 1 . 2]" 1
536 1 42 ASP H 1 43 ILE H . . 3.770 2.458 2.387 2.530 . 0 0 "[ . 1 . 2]" 1
537 1 42 ASP H 1 44 ALA MB . . 4.780 4.522 4.378 4.775 . 0 0 "[ . 1 . 2]" 1
538 1 42 ASP HA 1 44 ALA MB . . 5.500 4.558 4.422 4.772 . 0 0 "[ . 1 . 2]" 1
539 1 42 ASP HA 1 45 LYS H . . 4.710 3.623 3.528 3.742 . 0 0 "[ . 1 . 2]" 1
540 1 42 ASP HA 1 45 LYS HB2 . . 4.310 3.481 3.149 3.906 . 0 0 "[ . 1 . 2]" 1
541 1 42 ASP HA 1 45 LYS HB3 . . 4.900 4.348 3.499 4.989 0.089 17 0 "[ . 1 . 2]" 1
542 1 42 ASP HA 1 45 LYS QG . . 4.810 4.171 2.750 4.930 0.120 6 0 "[ . 1 . 2]" 1
543 1 42 ASP HA 1 52 PRO HG3 . . 4.360 3.254 2.157 4.188 . 0 0 "[ . 1 . 2]" 1
544 1 42 ASP HB2 1 43 ILE H . . 3.760 3.611 2.455 3.764 0.004 5 0 "[ . 1 . 2]" 1
545 1 42 ASP HB3 1 43 ILE H . . 4.330 2.399 2.184 3.418 . 0 0 "[ . 1 . 2]" 1
546 1 43 ILE H 1 43 ILE HB . . 3.440 2.520 2.420 2.558 . 0 0 "[ . 1 . 2]" 1
547 1 43 ILE H 1 43 ILE MD . . 3.910 3.591 3.550 3.635 . 0 0 "[ . 1 . 2]" 1
548 1 43 ILE H 1 43 ILE HG12 . . 4.140 3.340 3.262 3.447 . 0 0 "[ . 1 . 2]" 1
549 1 43 ILE H 1 43 ILE HG13 . . 3.760 2.123 2.068 2.209 . 0 0 "[ . 1 . 2]" 1
550 1 43 ILE H 1 43 ILE MG . . 4.190 3.725 3.702 3.759 . 0 0 "[ . 1 . 2]" 1
551 1 43 ILE H 1 44 ALA H . . 5.500 2.749 2.677 2.827 . 0 0 "[ . 1 . 2]" 1
552 1 43 ILE H 1 45 LYS H . . 4.890 4.261 4.168 4.400 . 0 0 "[ . 1 . 2]" 1
553 1 43 ILE HA 1 43 ILE MD . . 4.490 3.802 3.750 3.842 . 0 0 "[ . 1 . 2]" 1
554 1 43 ILE HA 1 43 ILE HG12 . . 4.230 2.525 2.463 2.583 . 0 0 "[ . 1 . 2]" 1
555 1 43 ILE HA 1 46 HIS HA . . 5.440 4.920 4.691 5.331 . 0 0 "[ . 1 . 2]" 1
556 1 43 ILE HA 1 46 HIS HB3 . . 3.610 2.319 2.074 2.774 . 0 0 "[ . 1 . 2]" 1
557 1 43 ILE HA 1 46 HIS HD2 . . 4.760 4.699 4.335 4.824 0.064 3 0 "[ . 1 . 2]" 1
558 1 43 ILE HA 1 52 PRO HG3 . . 5.500 4.985 3.501 5.574 0.074 14 0 "[ . 1 . 2]" 1
559 1 43 ILE HB 1 43 ILE MD . . 3.620 2.386 2.361 2.412 . 0 0 "[ . 1 . 2]" 1
560 1 43 ILE HB 1 47 VAL H . . 5.360 5.309 5.208 5.394 0.034 17 0 "[ . 1 . 2]" 1
561 1 43 ILE MD 1 43 ILE MG . . 3.060 1.858 1.829 1.889 . 0 0 "[ . 1 . 2]" 1
562 1 43 ILE MD 1 47 VAL MG1 . . 4.300 4.325 4.283 4.368 0.068 6 0 "[ . 1 . 2]" 1
563 1 43 ILE MD 1 81 LEU H . . 4.950 4.522 4.436 4.686 . 0 0 "[ . 1 . 2]" 1
564 1 43 ILE MD 1 81 LEU QD . . 3.220 1.879 1.773 2.043 . 0 0 "[ . 1 . 2]" 1
565 1 43 ILE MD 1 81 LEU HG . . 3.930 3.546 3.433 3.767 . 0 0 "[ . 1 . 2]" 1
566 1 43 ILE HG13 1 81 LEU QD . . 4.470 3.672 3.546 3.925 . 0 0 "[ . 1 . 2]" 1
567 1 43 ILE MG 1 46 HIS HB2 . . 5.500 4.218 3.410 4.814 . 0 0 "[ . 1 . 2]" 1
568 1 43 ILE MG 1 46 HIS HB3 . . 5.500 2.988 2.621 3.436 . 0 0 "[ . 1 . 2]" 1
569 1 43 ILE MG 1 46 HIS HD2 . . 5.000 4.301 3.438 5.069 0.069 18 0 "[ . 1 . 2]" 1
570 1 43 ILE MG 1 47 VAL H . . 5.250 3.337 3.206 3.510 . 0 0 "[ . 1 . 2]" 1
571 1 43 ILE MG 1 47 VAL MG1 . . 3.350 2.089 2.001 2.148 . 0 0 "[ . 1 . 2]" 1
572 1 43 ILE MG 1 47 VAL MG2 . . 3.990 2.691 2.543 2.890 . 0 0 "[ . 1 . 2]" 1
573 1 44 ALA H 1 44 ALA MB . . 3.420 2.211 2.173 2.257 . 0 0 "[ . 1 . 2]" 1
574 1 44 ALA H 1 47 VAL H . . 5.430 4.706 4.618 4.808 . 0 0 "[ . 1 . 2]" 1
575 1 44 ALA H 1 47 VAL MG1 . . 5.420 4.794 4.667 4.923 . 0 0 "[ . 1 . 2]" 1
576 1 44 ALA H 1 47 VAL MG2 . . 3.850 3.785 3.694 3.875 0.025 17 0 "[ . 1 . 2]" 1
577 1 44 ALA HA 1 47 VAL H . . 4.960 3.652 3.512 3.794 . 0 0 "[ . 1 . 2]" 1
578 1 44 ALA HA 1 47 VAL MG1 . . 4.450 3.903 3.714 4.022 . 0 0 "[ . 1 . 2]" 1
579 1 44 ALA HA 1 47 VAL MG2 . . 4.460 2.061 1.924 2.185 . 0 0 "[ . 1 . 2]" 1
580 1 44 ALA MB 1 46 HIS H . . 4.820 4.408 4.150 4.702 . 0 0 "[ . 1 . 2]" 1
581 1 44 ALA MB 1 47 VAL MG1 . . 5.440 4.938 4.786 5.042 . 0 0 "[ . 1 . 2]" 1
582 1 44 ALA MB 1 96 LEU HB2 . . 4.620 2.854 2.580 3.172 . 0 0 "[ . 1 . 2]" 1
583 1 44 ALA MB 1 96 LEU QD . . 3.370 2.525 2.129 2.812 . 0 0 "[ . 1 . 2]" 1
584 1 44 ALA MB 1 96 LEU HG . . 2.920 2.009 1.865 2.294 . 0 0 "[ . 1 . 2]" 1
585 1 44 ALA MB 1 97 VAL H . . 4.600 4.376 4.006 4.657 0.057 10 0 "[ . 1 . 2]" 1
586 1 45 LYS H 1 45 LYS HB2 . . 4.180 2.221 2.088 2.388 . 0 0 "[ . 1 . 2]" 1
587 1 45 LYS H 1 46 HIS H . . 4.300 2.425 2.316 2.607 . 0 0 "[ . 1 . 2]" 1
588 1 45 LYS H 1 52 PRO HD2 . . 5.500 5.537 5.433 5.626 0.126 2 0 "[ . 1 . 2]" 1
589 1 45 LYS H 1 52 PRO HD3 . . 4.660 4.425 4.133 4.790 0.130 8 0 "[ . 1 . 2]" 1
590 1 45 LYS H 1 52 PRO HG3 . . 4.260 3.939 3.464 4.309 0.049 5 0 "[ . 1 . 2]" 1
591 1 45 LYS HA 1 52 PRO HG3 . . 5.500 4.914 4.209 5.513 0.013 18 0 "[ . 1 . 2]" 1
592 1 45 LYS HB2 1 52 PRO QB . . 3.630 3.228 2.207 3.693 0.063 9 0 "[ . 1 . 2]" 1
593 1 45 LYS HB3 1 52 PRO HA . . 5.400 3.899 2.560 4.868 . 0 0 "[ . 1 . 2]" 1
594 1 45 LYS HB3 1 52 PRO HG2 . . 3.990 3.926 3.672 4.113 0.123 17 0 "[ . 1 . 2]" 1
595 1 45 LYS HB3 1 52 PRO HG3 . . 3.360 2.399 2.094 2.940 . 0 0 "[ . 1 . 2]" 1
596 1 45 LYS QD 1 52 PRO HD3 . . 5.500 3.664 2.130 5.523 0.023 12 0 "[ . 1 . 2]" 1
597 1 45 LYS QG 1 52 PRO QB . . 4.250 2.774 1.974 4.140 . 0 0 "[ . 1 . 2]" 1
598 1 46 HIS H 1 46 HIS HB2 . . 3.700 2.510 2.139 2.807 . 0 0 "[ . 1 . 2]" 1
599 1 46 HIS H 1 46 HIS HB3 . . 3.950 2.518 2.393 2.781 . 0 0 "[ . 1 . 2]" 1
600 1 46 HIS H 1 47 VAL H . . 4.150 2.728 2.564 2.843 . 0 0 "[ . 1 . 2]" 1
601 1 46 HIS H 1 52 PRO HG3 . . 4.450 3.450 2.741 3.915 . 0 0 "[ . 1 . 2]" 1
602 1 46 HIS HA 1 52 PRO HD2 . . 4.010 3.149 2.489 3.810 . 0 0 "[ . 1 . 2]" 1
603 1 46 HIS HA 1 52 PRO HD3 . . 3.710 2.563 2.247 2.892 . 0 0 "[ . 1 . 2]" 1
604 1 46 HIS HA 1 52 PRO HG2 . . 5.240 5.033 4.374 5.358 0.118 10 0 "[ . 1 . 2]" 1
605 1 46 HIS HB2 1 52 PRO HD2 . . 3.470 2.652 2.187 3.004 . 0 0 "[ . 1 . 2]" 1
606 1 46 HIS HB2 1 52 PRO HG3 . . 5.500 3.859 2.793 4.372 . 0 0 "[ . 1 . 2]" 1
607 1 47 VAL H 1 47 VAL HB . . 3.940 3.629 3.586 3.647 . 0 0 "[ . 1 . 2]" 1
608 1 47 VAL H 1 47 VAL MG1 . . 3.690 2.309 2.230 2.394 . 0 0 "[ . 1 . 2]" 1
609 1 47 VAL H 1 47 VAL MG2 . . 4.210 1.882 1.820 1.933 . 0 0 "[ . 1 . 2]" 1
610 1 47 VAL HA 1 47 VAL MG2 . . 3.570 3.158 3.143 3.185 . 0 0 "[ . 1 . 2]" 1
611 1 58 GLU HB2 1 58 GLU QG . . 2.680 2.246 2.133 2.382 . 0 0 "[ . 1 . 2]" 1
612 1 58 GLU HB3 1 58 GLU QG . . 2.680 2.283 2.148 2.448 . 0 0 "[ . 1 . 2]" 1
613 1 58 GLU QG 1 100 GLU HA . . 4.130 3.991 2.529 4.344 0.214 16 0 "[ . 1 . 2]" 1
614 1 63 PRO HA 1 64 ASN H . . 3.560 3.421 3.336 3.564 0.004 15 0 "[ . 1 . 2]" 1
615 1 63 PRO HA 1 65 ILE H . . 4.580 3.624 3.491 3.859 . 0 0 "[ . 1 . 2]" 1
616 1 63 PRO HA 1 65 ILE MD . . 5.110 4.251 3.642 4.810 . 0 0 "[ . 1 . 2]" 1
617 1 63 PRO HA 1 65 ILE MG . . 5.110 4.962 4.711 5.182 0.072 15 0 "[ . 1 . 2]" 1
618 1 63 PRO HA 1 66 LEU H . . 4.930 3.899 3.409 4.782 . 0 0 "[ . 1 . 2]" 1
619 1 63 PRO HB2 1 65 ILE QG . . 5.500 5.557 5.408 5.662 0.162 15 0 "[ . 1 . 2]" 1
620 1 64 ASN H 1 65 ILE H . . 3.610 2.672 2.418 2.977 . 0 0 "[ . 1 . 2]" 1
621 1 64 ASN H 1 66 LEU H . . 4.510 4.326 4.139 4.508 . 0 0 "[ . 1 . 2]" 1
622 1 65 ILE H 1 65 ILE HB . . 3.920 3.633 3.555 3.675 . 0 0 "[ . 1 . 2]" 1
623 1 65 ILE H 1 65 ILE MD . . 4.250 3.436 3.081 3.797 . 0 0 "[ . 1 . 2]" 1
624 1 65 ILE H 1 65 ILE QG . . 3.820 2.043 1.836 2.218 . 0 0 "[ . 1 . 2]" 1
625 1 65 ILE H 1 65 ILE MG . . 3.760 2.312 2.132 2.513 . 0 0 "[ . 1 . 2]" 1
626 1 65 ILE H 1 66 LEU H . . 3.640 2.430 2.189 2.569 . 0 0 "[ . 1 . 2]" 1
627 1 65 ILE H 1 99 ARG QB . . 4.730 4.791 4.658 4.890 0.160 5 0 "[ . 1 . 2]" 1
628 1 65 ILE HA 1 65 ILE MD . . 3.900 3.720 3.623 4.074 0.174 7 0 "[ . 1 . 2]" 1
629 1 65 ILE HA 1 65 ILE MG . . 3.550 2.346 2.259 2.433 . 0 0 "[ . 1 . 2]" 1
630 1 65 ILE HB 1 65 ILE MD . . 3.630 2.365 2.252 2.467 . 0 0 "[ . 1 . 2]" 1
631 1 65 ILE HB 1 98 ALA MB . . 5.500 4.336 3.488 4.805 . 0 0 "[ . 1 . 2]" 1
632 1 65 ILE HB 1 99 ARG H . . 4.500 2.218 1.882 2.823 . 0 0 "[ . 1 . 2]" 1
633 1 65 ILE HB 1 99 ARG HA . . 5.020 4.254 3.989 4.653 . 0 0 "[ . 1 . 2]" 1
634 1 65 ILE HB 1 99 ARG QB . . 4.720 2.124 1.794 2.828 . 0 0 "[ . 1 . 2]" 1
635 1 65 ILE HB 1 99 ARG QG . . 5.300 3.836 3.153 4.737 . 0 0 "[ . 1 . 2]" 1
636 1 65 ILE MD 1 98 ALA HA . . 5.110 3.296 2.343 4.539 . 0 0 "[ . 1 . 2]" 1
637 1 65 ILE MD 1 98 ALA MB . . 3.130 3.098 2.221 3.301 0.171 13 0 "[ . 1 . 2]" 1
638 1 65 ILE MD 1 99 ARG H . . 4.930 2.568 1.685 3.802 . 0 0 "[ . 1 . 2]" 1
639 1 65 ILE MD 1 101 THR HA . . 4.710 3.672 2.930 4.371 . 0 0 "[ . 1 . 2]" 1
640 1 65 ILE QG 1 65 ILE MG . . 3.070 2.108 2.049 2.287 . 0 0 "[ . 1 . 2]" 1
641 1 65 ILE QG 1 98 ALA HA . . 5.340 4.815 3.800 5.389 0.049 6 0 "[ . 1 . 2]" 1
642 1 65 ILE QG 1 99 ARG H . . 5.100 3.704 2.867 4.478 . 0 0 "[ . 1 . 2]" 1
643 1 65 ILE QG 1 99 ARG QB . . 4.810 3.679 2.186 4.366 . 0 0 "[ . 1 . 2]" 1
644 1 65 ILE MG 1 99 ARG H . . 3.990 3.627 3.250 4.075 0.085 6 0 "[ . 1 . 2]" 1
645 1 66 LEU H 1 66 LEU QB . . 3.620 2.468 2.223 3.041 . 0 0 "[ . 1 . 2]" 1
646 1 66 LEU H 1 66 LEU QD . . 4.390 3.018 1.760 3.736 . 0 0 "[ . 1 . 2]" 1
647 1 66 LEU H 1 66 LEU HG . . 4.660 3.134 2.276 4.460 . 0 0 "[ . 1 . 2]" 1
648 1 66 LEU H 1 67 ARG H . . 4.980 4.177 3.901 4.439 . 0 0 "[ . 1 . 2]" 1
649 1 66 LEU QD 1 67 ARG H . . 5.440 3.863 3.243 4.498 . 0 0 "[ . 1 . 2]" 1
650 1 67 ARG H 1 67 ARG QD . . 4.690 4.126 2.933 4.566 . 0 0 "[ . 1 . 2]" 1
651 1 67 ARG H 1 67 ARG QG . . 4.880 3.250 2.361 4.203 . 0 0 "[ . 1 . 2]" 1
652 1 67 ARG H 1 68 LEU QD . . 5.440 5.283 4.459 5.532 0.092 6 0 "[ . 1 . 2]" 1
653 1 67 ARG H 1 97 VAL MG2 . . 3.680 2.923 2.348 3.711 0.031 9 0 "[ . 1 . 2]" 1
654 1 67 ARG H 1 98 ALA HA . . 4.700 4.010 3.179 4.683 . 0 0 "[ . 1 . 2]" 1
655 1 67 ARG H 1 98 ALA MB . . 5.390 4.696 3.840 5.348 . 0 0 "[ . 1 . 2]" 1
656 1 67 ARG HA 1 67 ARG QD . . 4.240 3.215 1.936 4.241 0.001 1 0 "[ . 1 . 2]" 1
657 1 67 ARG QB 1 69 ILE MD . . 5.500 4.870 4.457 5.575 0.075 13 0 "[ . 1 . 2]" 1
658 1 67 ARG QB 1 74 PHE HB2 . . 5.180 4.825 4.279 5.279 0.099 12 0 "[ . 1 . 2]" 1
659 1 67 ARG QB 1 74 PHE HB3 . . 5.400 3.413 2.738 4.058 . 0 0 "[ . 1 . 2]" 1
660 1 67 ARG QB 1 74 PHE QD . . 4.720 2.331 1.956 3.150 . 0 0 "[ . 1 . 2]" 1
661 1 67 ARG QD 1 68 LEU H . . 5.030 4.183 2.584 5.012 . 0 0 "[ . 1 . 2]" 1
662 1 67 ARG QG 1 74 PHE HB3 . . 4.580 4.090 1.963 4.668 0.088 4 0 "[ . 1 . 2]" 1
663 1 68 LEU H 1 68 LEU QD . . 3.650 2.803 1.687 3.132 . 0 0 "[ . 1 . 2]" 1
664 1 68 LEU H 1 68 LEU HG . . 3.650 2.315 1.865 3.807 0.157 20 0 "[ . 1 . 2]" 1
665 1 68 LEU H 1 69 ILE H . . 5.180 4.344 4.234 4.487 . 0 0 "[ . 1 . 2]" 1
666 1 68 LEU H 1 74 PHE HB3 . . 4.900 3.822 3.441 4.444 . 0 0 "[ . 1 . 2]" 1
667 1 68 LEU H 1 75 LEU H . . 5.240 4.286 3.853 4.570 . 0 0 "[ . 1 . 2]" 1
668 1 68 LEU HA 1 68 LEU HG . . 3.870 3.711 3.600 4.087 0.217 20 0 "[ . 1 . 2]" 1
669 1 68 LEU HA 1 69 ILE H . . 3.410 2.168 2.070 2.251 . 0 0 "[ . 1 . 2]" 1
670 1 68 LEU HA 1 96 LEU HA . . 4.430 2.632 2.298 2.844 . 0 0 "[ . 1 . 2]" 1
671 1 68 LEU HA 1 96 LEU HB3 . . 4.950 4.226 4.013 4.605 . 0 0 "[ . 1 . 2]" 1
672 1 68 LEU HB2 1 79 VAL QG . . 5.420 4.509 3.845 5.388 . 0 0 "[ . 1 . 2]" 1
673 1 68 LEU HB2 1 96 LEU HA . . 4.690 4.319 3.868 4.634 . 0 0 "[ . 1 . 2]" 1
674 1 68 LEU QD 1 70 TYR H . . 4.800 3.641 3.362 4.654 . 0 0 "[ . 1 . 2]" 1
675 1 68 LEU QD 1 75 LEU H . . 4.200 2.263 1.915 3.649 . 0 0 "[ . 1 . 2]" 1
676 1 68 LEU QD 1 76 HIS HB3 . . 5.200 3.252 2.702 4.117 . 0 0 "[ . 1 . 2]" 1
677 1 68 LEU QD 1 79 VAL H . . 3.860 1.796 1.555 2.137 . 0 0 "[ . 1 . 2]" 1
678 1 68 LEU QD 1 79 VAL HB . . 4.530 3.290 1.826 3.609 . 0 0 "[ . 1 . 2]" 1
679 1 68 LEU QD 1 96 LEU HA . . 5.440 5.071 4.690 5.299 . 0 0 "[ . 1 . 2]" 1
680 1 68 LEU MD1 1 79 VAL H . . 5.400 3.501 1.848 3.869 . 0 0 "[ . 1 . 2]" 1
681 1 68 LEU MD2 1 79 VAL H . . 5.400 1.861 1.557 3.020 . 0 0 "[ . 1 . 2]" 1
682 1 69 ILE H 1 69 ILE HB . . 4.040 2.446 2.366 2.518 . 0 0 "[ . 1 . 2]" 1
683 1 69 ILE H 1 69 ILE MD . . 4.660 3.856 3.732 3.948 . 0 0 "[ . 1 . 2]" 1
684 1 69 ILE H 1 69 ILE HG12 . . 4.620 3.887 3.741 3.997 . 0 0 "[ . 1 . 2]" 1
685 1 69 ILE H 1 69 ILE HG13 . . 4.160 2.708 2.529 2.834 . 0 0 "[ . 1 . 2]" 1
686 1 69 ILE H 1 69 ILE MG . . 4.450 3.760 3.731 3.796 . 0 0 "[ . 1 . 2]" 1
687 1 69 ILE H 1 75 LEU H . . 5.500 5.162 4.994 5.273 . 0 0 "[ . 1 . 2]" 1
688 1 69 ILE H 1 95 HIS H . . 4.170 3.612 3.320 3.884 . 0 0 "[ . 1 . 2]" 1
689 1 69 ILE H 1 95 HIS HB2 . . 4.870 3.923 3.627 4.131 . 0 0 "[ . 1 . 2]" 1
690 1 69 ILE H 1 95 HIS HB3 . . 5.100 4.811 4.381 5.011 . 0 0 "[ . 1 . 2]" 1
691 1 69 ILE H 1 96 LEU HA . . 4.890 2.906 2.668 3.151 . 0 0 "[ . 1 . 2]" 1
692 1 69 ILE H 1 96 LEU QD . . 3.590 2.699 2.346 3.106 . 0 0 "[ . 1 . 2]" 1
693 1 69 ILE H 1 97 VAL MG2 . . 5.130 4.436 4.316 4.604 . 0 0 "[ . 1 . 2]" 1
694 1 69 ILE HA 1 69 ILE MG . . 3.630 2.429 2.354 2.472 . 0 0 "[ . 1 . 2]" 1
695 1 69 ILE HA 1 74 PHE HB2 . . 5.000 5.037 4.940 5.109 0.109 3 0 "[ . 1 . 2]" 1
696 1 69 ILE HA 1 75 LEU H . . 4.760 3.329 3.147 3.453 . 0 0 "[ . 1 . 2]" 1
697 1 69 ILE HA 1 95 HIS HB2 . . 4.660 4.737 4.671 4.819 0.159 16 0 "[ . 1 . 2]" 1
698 1 69 ILE HB 1 69 ILE MD . . 3.540 2.413 2.392 2.451 . 0 0 "[ . 1 . 2]" 1
699 1 69 ILE HB 1 95 HIS H . . 4.300 3.042 2.667 3.572 . 0 0 "[ . 1 . 2]" 1
700 1 69 ILE HB 1 95 HIS HB2 . . 3.860 1.896 1.810 2.035 . 0 0 "[ . 1 . 2]" 1
701 1 69 ILE HB 1 95 HIS HB3 . . 4.280 3.172 2.951 3.314 . 0 0 "[ . 1 . 2]" 1
702 1 69 ILE HB 1 97 VAL MG2 . . 4.950 4.941 4.713 5.003 0.053 13 0 "[ . 1 . 2]" 1
703 1 69 ILE MD 1 69 ILE MG . . 2.400 1.956 1.885 2.007 . 0 0 "[ . 1 . 2]" 1
704 1 69 ILE MD 1 74 PHE HA . . 5.080 4.685 4.571 4.791 . 0 0 "[ . 1 . 2]" 1
705 1 69 ILE MD 1 74 PHE QD . . 4.020 3.654 3.283 3.781 . 0 0 "[ . 1 . 2]" 1
706 1 69 ILE MD 1 95 HIS HB2 . . 4.230 2.844 2.421 3.453 . 0 0 "[ . 1 . 2]" 1
707 1 69 ILE MD 1 95 HIS HB3 . . 4.650 2.971 2.551 3.434 . 0 0 "[ . 1 . 2]" 1
708 1 69 ILE MD 1 96 LEU H . . 5.180 4.681 4.272 5.161 . 0 0 "[ . 1 . 2]" 1
709 1 69 ILE MD 1 97 VAL HB . . 5.430 4.518 4.263 4.716 . 0 0 "[ . 1 . 2]" 1
710 1 69 ILE MD 1 97 VAL MG1 . . 3.650 2.144 1.974 2.332 . 0 0 "[ . 1 . 2]" 1
711 1 69 ILE MD 1 97 VAL MG2 . . 3.230 3.157 2.711 3.282 0.052 14 0 "[ . 1 . 2]" 1
712 1 69 ILE HG12 1 69 ILE MG . . 3.370 2.332 2.279 2.408 . 0 0 "[ . 1 . 2]" 1
713 1 69 ILE HG12 1 73 ARG HA . . 5.500 4.381 3.930 5.169 . 0 0 "[ . 1 . 2]" 1
714 1 69 ILE HG12 1 74 PHE HA . . 5.230 3.174 3.016 3.326 . 0 0 "[ . 1 . 2]" 1
715 1 69 ILE HG12 1 74 PHE QD . . 4.730 3.084 2.540 3.269 . 0 0 "[ . 1 . 2]" 1
716 1 69 ILE HG12 1 97 VAL MG1 . . 4.380 4.055 3.688 4.281 . 0 0 "[ . 1 . 2]" 1
717 1 69 ILE HG13 1 74 PHE QD . . 4.750 3.048 2.809 3.464 . 0 0 "[ . 1 . 2]" 1
718 1 69 ILE HG13 1 75 LEU H . . 5.500 5.558 5.497 5.590 0.090 1 0 "[ . 1 . 2]" 1
719 1 69 ILE HG13 1 95 HIS HB2 . . 5.470 4.106 3.705 4.390 . 0 0 "[ . 1 . 2]" 1
720 1 69 ILE MG 1 71 GLN H . . 4.770 2.707 1.881 3.371 . 0 0 "[ . 1 . 2]" 1
721 1 69 ILE MG 1 71 GLN HA . . 5.130 3.180 2.394 3.651 . 0 0 "[ . 1 . 2]" 1
722 1 69 ILE MG 1 72 GLY H . . 3.600 2.798 1.923 3.538 . 0 0 "[ . 1 . 2]" 1
723 1 69 ILE MG 1 73 ARG H . . 3.660 3.135 2.671 3.489 . 0 0 "[ . 1 . 2]" 1
724 1 69 ILE MG 1 73 ARG QB . . 4.900 4.444 4.243 4.823 . 0 0 "[ . 1 . 2]" 1
725 1 69 ILE MG 1 74 PHE H . . 5.040 4.059 3.888 4.243 . 0 0 "[ . 1 . 2]" 1
726 1 69 ILE MG 1 74 PHE HA . . 4.800 3.696 3.435 3.865 . 0 0 "[ . 1 . 2]" 1
727 1 69 ILE MG 1 74 PHE QD . . 4.470 4.296 3.767 4.516 0.046 18 0 "[ . 1 . 2]" 1
728 1 69 ILE MG 1 75 LEU H . . 5.160 4.988 4.809 5.150 . 0 0 "[ . 1 . 2]" 1
729 1 69 ILE MG 1 95 HIS H . . 4.510 3.475 3.080 4.002 . 0 0 "[ . 1 . 2]" 1
730 1 69 ILE MG 1 95 HIS HB2 . . 4.180 2.519 2.213 2.909 . 0 0 "[ . 1 . 2]" 1
731 1 69 ILE MG 1 95 HIS HB3 . . 4.910 3.778 3.458 4.090 . 0 0 "[ . 1 . 2]" 1
732 1 69 ILE MG 1 97 VAL MG1 . . 4.850 4.483 4.275 4.674 . 0 0 "[ . 1 . 2]" 1
733 1 70 TYR H 1 70 TYR HB3 . . 3.940 2.515 2.420 2.596 . 0 0 "[ . 1 . 2]" 1
734 1 70 TYR H 1 70 TYR QD . . 4.650 4.283 4.206 4.342 . 0 0 "[ . 1 . 2]" 1
735 1 70 TYR H 1 72 GLY H . . 5.300 4.246 3.078 4.917 . 0 0 "[ . 1 . 2]" 1
736 1 70 TYR H 1 73 ARG H . . 3.980 3.457 3.048 3.718 . 0 0 "[ . 1 . 2]" 1
737 1 70 TYR H 1 74 PHE HA . . 4.250 3.363 3.210 3.662 . 0 0 "[ . 1 . 2]" 1
738 1 70 TYR H 1 75 LEU H . . 4.320 3.458 3.247 3.819 . 0 0 "[ . 1 . 2]" 1
739 1 70 TYR H 1 75 LEU QD . . 4.620 3.663 2.007 4.181 . 0 0 "[ . 1 . 2]" 1
740 1 70 TYR H 1 75 LEU HG . . 4.480 3.430 2.951 4.621 0.141 20 0 "[ . 1 . 2]" 1
741 1 70 TYR H 1 94 MET ME . . 5.050 4.019 3.623 4.337 . 0 0 "[ . 1 . 2]" 1
742 1 70 TYR HA 1 70 TYR QD . . 3.440 2.286 2.107 2.442 . 0 0 "[ . 1 . 2]" 1
743 1 70 TYR HA 1 70 TYR QE . . 4.840 4.511 4.409 4.652 . 0 0 "[ . 1 . 2]" 1
744 1 70 TYR HA 1 73 ARG H . . 5.370 5.282 4.748 5.443 0.073 20 0 "[ . 1 . 2]" 1
745 1 70 TYR HA 1 94 MET HB3 . . 4.350 3.451 3.249 3.711 . 0 0 "[ . 1 . 2]" 1
746 1 70 TYR HA 1 94 MET ME . . 4.550 2.697 2.390 3.128 . 0 0 "[ . 1 . 2]" 1
747 1 70 TYR HA 1 94 MET HG2 . . 4.070 2.667 2.319 2.794 . 0 0 "[ . 1 . 2]" 1
748 1 70 TYR HA 1 94 MET HG3 . . 4.430 4.398 4.079 4.487 0.057 13 0 "[ . 1 . 2]" 1
749 1 70 TYR HA 1 95 HIS H . . 3.550 3.552 3.310 3.653 0.103 16 0 "[ . 1 . 2]" 1
750 1 70 TYR HB2 1 75 LEU QB . . 5.340 3.847 3.385 5.076 . 0 0 "[ . 1 . 2]" 1
751 1 70 TYR HB2 1 75 LEU MD1 . . 4.770 2.560 2.008 3.500 . 0 0 "[ . 1 . 2]" 1
752 1 70 TYR HB2 1 75 LEU MD2 . . 4.770 3.847 2.005 4.448 . 0 0 "[ . 1 . 2]" 1
753 1 70 TYR HB2 1 94 MET ME . . 3.990 2.474 1.948 2.949 . 0 0 "[ . 1 . 2]" 1
754 1 70 TYR HB2 1 94 MET HG2 . . 4.670 3.993 3.609 4.298 . 0 0 "[ . 1 . 2]" 1
755 1 70 TYR HB3 1 75 LEU MD1 . . 4.680 2.601 1.711 3.251 . 0 0 "[ . 1 . 2]" 1
756 1 70 TYR HB3 1 75 LEU MD2 . . 4.680 3.037 1.897 3.833 . 0 0 "[ . 1 . 2]" 1
757 1 70 TYR HB3 1 75 LEU HG . . 5.380 2.463 2.097 3.837 . 0 0 "[ . 1 . 2]" 1
758 1 70 TYR HB3 1 94 MET ME . . 4.900 3.986 3.452 4.464 . 0 0 "[ . 1 . 2]" 1
759 1 70 TYR QD 1 75 LEU QD . . 3.660 2.088 1.805 2.731 . 0 0 "[ . 1 . 2]" 1
760 1 70 TYR QD 1 84 LEU MD2 . . 3.560 3.385 2.664 3.608 0.048 6 0 "[ . 1 . 2]" 1
761 1 70 TYR QD 1 92 THR MG . . 3.980 3.508 3.141 3.880 . 0 0 "[ . 1 . 2]" 1
762 1 70 TYR QD 1 94 MET HA . . 4.100 3.849 3.427 4.101 0.001 2 0 "[ . 1 . 2]" 1
763 1 70 TYR QD 1 94 MET HB3 . . 4.650 4.084 3.779 4.272 . 0 0 "[ . 1 . 2]" 1
764 1 70 TYR QD 1 94 MET ME . . 4.070 2.801 2.185 3.147 . 0 0 "[ . 1 . 2]" 1
765 1 70 TYR QD 1 94 MET HG2 . . 3.870 1.995 1.883 2.114 . 0 0 "[ . 1 . 2]" 1
766 1 70 TYR QD 1 94 MET HG3 . . 4.030 3.387 3.213 3.562 . 0 0 "[ . 1 . 2]" 1
767 1 70 TYR QE 1 84 LEU QB . . 5.300 3.220 2.969 3.584 . 0 0 "[ . 1 . 2]" 1
768 1 70 TYR QE 1 84 LEU MD1 . . 4.920 3.429 2.793 4.386 . 0 0 "[ . 1 . 2]" 1
769 1 70 TYR QE 1 84 LEU MD2 . . 4.210 4.102 3.578 4.309 0.099 1 0 "[ . 1 . 2]" 1
770 1 70 TYR QE 1 85 LYS QB . . 4.660 4.255 3.815 4.680 0.020 17 0 "[ . 1 . 2]" 1
771 1 70 TYR QE 1 85 LYS QD . . 4.080 4.176 4.091 4.261 0.181 12 0 "[ . 1 . 2]" 1
772 1 70 TYR QE 1 86 LEU QD . . 3.720 2.448 2.086 2.999 . 0 0 "[ . 1 . 2]" 1
773 1 70 TYR QE 1 92 THR MG . . 3.390 2.117 1.805 2.536 . 0 0 "[ . 1 . 2]" 1
774 1 70 TYR QE 1 93 VAL QG . . 5.210 5.147 4.594 5.311 0.101 13 0 "[ . 1 . 2]" 1
775 1 70 TYR QE 1 94 MET HA . . 5.500 5.330 4.789 5.511 0.011 2 0 "[ . 1 . 2]" 1
776 1 70 TYR QE 1 94 MET ME . . 4.640 4.492 4.080 4.691 0.051 20 0 "[ . 1 . 2]" 1
777 1 70 TYR QE 1 94 MET HG2 . . 5.320 3.576 3.205 3.824 . 0 0 "[ . 1 . 2]" 1
778 1 71 GLN H 1 71 GLN HB3 . . 3.940 3.720 2.799 4.028 0.088 13 0 "[ . 1 . 2]" 1
779 1 71 GLN H 1 71 GLN HG2 . . 4.030 3.744 2.395 4.331 0.301 11 0 "[ . 1 . 2]" 1
780 1 71 GLN H 1 71 GLN HG3 . . 4.320 3.746 2.585 4.532 0.212 9 0 "[ . 1 . 2]" 1
781 1 71 GLN H 1 72 GLY H . . 3.930 3.483 2.673 3.974 0.044 12 0 "[ . 1 . 2]" 1
782 1 71 GLN H 1 73 ARG H . . 5.190 4.816 3.773 5.195 0.005 9 0 "[ . 1 . 2]" 1
783 1 71 GLN H 1 94 MET HA . . 4.030 2.984 2.162 3.888 . 0 0 "[ . 1 . 2]" 1
784 1 71 GLN HA 1 71 GLN HG2 . . 3.990 2.533 2.118 2.796 . 0 0 "[ . 1 . 2]" 1
785 1 71 GLN HA 1 71 GLN HG3 . . 3.700 2.832 2.346 3.683 . 0 0 "[ . 1 . 2]" 1
786 1 71 GLN HA 1 95 HIS HD2 . . 5.470 2.605 1.870 4.122 . 0 0 "[ . 1 . 2]" 1
787 1 71 GLN HB2 1 72 GLY H . . 5.500 3.962 2.367 4.576 . 0 0 "[ . 1 . 2]" 1
788 1 71 GLN HB2 1 95 HIS HD2 . . 5.270 4.584 2.791 5.328 0.058 7 0 "[ . 1 . 2]" 1
789 1 71 GLN HB3 1 71 GLN HG2 . . 2.840 2.509 2.326 2.933 0.093 16 0 "[ . 1 . 2]" 1
790 1 71 GLN HB3 1 72 GLY H . . 5.500 3.407 2.157 4.420 . 0 0 "[ . 1 . 2]" 1
791 1 71 GLN HB3 1 95 HIS HD2 . . 5.110 4.890 4.315 5.226 0.116 16 0 "[ . 1 . 2]" 1
792 1 71 GLN HG2 1 95 HIS HD2 . . 4.090 3.617 2.615 4.188 0.098 12 0 "[ . 1 . 2]" 1
793 1 71 GLN HG3 1 95 HIS HD2 . . 3.950 3.808 2.636 4.140 0.190 10 0 "[ . 1 . 2]" 1
794 1 72 GLY H 1 73 ARG H . . 5.500 2.634 1.926 3.430 . 0 0 "[ . 1 . 2]" 1
795 1 73 ARG H 1 73 ARG QB . . 3.460 3.062 2.890 3.180 . 0 0 "[ . 1 . 2]" 1
796 1 73 ARG H 1 73 ARG QD . . 4.430 3.343 1.735 4.351 . 0 0 "[ . 1 . 2]" 1
797 1 73 ARG H 1 73 ARG QG . . 3.820 2.523 2.034 3.418 . 0 0 "[ . 1 . 2]" 1
798 1 73 ARG H 1 74 PHE H . . 5.500 4.478 4.378 4.580 . 0 0 "[ . 1 . 2]" 1
799 1 73 ARG H 1 75 LEU QD . . 5.300 4.417 3.527 4.976 . 0 0 "[ . 1 . 2]" 1
800 1 73 ARG HA 1 73 ARG QD . . 4.880 4.020 3.620 4.529 . 0 0 "[ . 1 . 2]" 1
801 1 73 ARG QB 1 73 ARG QD . . 3.260 2.277 2.083 2.719 . 0 0 "[ . 1 . 2]" 1
802 1 73 ARG QB 1 74 PHE H . . 5.500 2.411 2.099 2.957 . 0 0 "[ . 1 . 2]" 1
803 1 73 ARG QD 1 75 LEU HA . . 4.980 4.213 2.900 5.062 0.082 18 0 "[ . 1 . 2]" 1
804 1 73 ARG QD 1 75 LEU QD . . 4.780 2.721 2.042 3.479 . 0 0 "[ . 1 . 2]" 1
805 1 73 ARG HE 1 75 LEU HG . . 5.100 4.676 3.135 5.139 0.039 5 0 "[ . 1 . 2]" 1
806 1 73 ARG QG 1 74 PHE H . . 5.500 3.735 3.035 4.331 . 0 0 "[ . 1 . 2]" 1
807 1 74 PHE H 1 74 PHE HB2 . . 3.730 2.489 2.401 2.708 . 0 0 "[ . 1 . 2]" 1
808 1 74 PHE H 1 74 PHE HB3 . . 4.070 3.612 3.562 3.650 . 0 0 "[ . 1 . 2]" 1
809 1 74 PHE H 1 74 PHE QD . . 3.920 2.164 1.790 2.577 . 0 0 "[ . 1 . 2]" 1
810 1 74 PHE H 1 75 LEU H . . 5.500 4.358 4.309 4.425 . 0 0 "[ . 1 . 2]" 1
811 1 74 PHE HA 1 74 PHE QD . . 4.440 3.160 2.888 3.337 . 0 0 "[ . 1 . 2]" 1
812 1 74 PHE HB2 1 75 LEU H . . 5.500 4.236 4.167 4.305 . 0 0 "[ . 1 . 2]" 1
813 1 74 PHE HB3 1 75 LEU H . . 5.500 3.552 3.434 3.667 . 0 0 "[ . 1 . 2]" 1
814 1 74 PHE QD 1 97 VAL MG1 . . 4.300 4.316 3.798 4.419 0.119 18 0 "[ . 1 . 2]" 1
815 1 75 LEU H 1 75 LEU QB . . 3.250 2.535 2.441 2.632 . 0 0 "[ . 1 . 2]" 1
816 1 75 LEU H 1 75 LEU QD . . 4.090 3.152 1.690 3.498 . 0 0 "[ . 1 . 2]" 1
817 1 75 LEU H 1 79 VAL QG . . 4.790 4.272 4.128 4.676 . 0 0 "[ . 1 . 2]" 1
818 1 75 LEU HA 1 75 LEU MD1 . . 4.280 3.679 2.231 3.849 . 0 0 "[ . 1 . 2]" 1
819 1 75 LEU HA 1 75 LEU QD . . 3.440 2.050 1.938 2.672 . 0 0 "[ . 1 . 2]" 1
820 1 75 LEU HA 1 75 LEU MD2 . . 4.280 2.168 1.943 3.741 . 0 0 "[ . 1 . 2]" 1
821 1 75 LEU HA 1 79 VAL QG . . 4.400 4.439 4.223 4.539 0.139 18 0 "[ . 1 . 2]" 1
822 1 75 LEU QB 1 79 VAL H . . 5.340 4.901 4.242 5.144 . 0 0 "[ . 1 . 2]" 1
823 1 75 LEU QB 1 79 VAL HB . . 5.050 4.028 2.767 4.580 . 0 0 "[ . 1 . 2]" 1
824 1 75 LEU QB 1 79 VAL QG . . 4.030 2.279 2.136 2.481 . 0 0 "[ . 1 . 2]" 1
825 1 75 LEU QD 1 81 LEU HA . . 5.350 5.533 5.468 5.654 0.304 19 0 "[ . 1 . 2]" 1
826 1 75 LEU QD 1 84 LEU HA . . 4.990 3.018 2.250 4.186 . 0 0 "[ . 1 . 2]" 1
827 1 75 LEU QD 1 84 LEU QB . . 4.500 3.292 2.612 3.981 . 0 0 "[ . 1 . 2]" 1
828 1 76 HIS H 1 76 HIS HB2 . . 3.660 3.245 2.932 3.499 . 0 0 "[ . 1 . 2]" 1
829 1 76 HIS H 1 76 HIS HB3 . . 4.030 3.325 3.043 4.001 . 0 0 "[ . 1 . 2]" 1
830 1 76 HIS H 1 77 GLY QA . . 5.340 4.320 4.186 4.475 . 0 0 "[ . 1 . 2]" 1
831 1 76 HIS H 1 79 VAL H . . 5.500 4.581 4.287 4.883 . 0 0 "[ . 1 . 2]" 1
832 1 76 HIS H 1 79 VAL HB . . 4.790 4.619 3.801 4.820 0.030 19 0 "[ . 1 . 2]" 1
833 1 76 HIS H 1 79 VAL MG1 . . 5.300 3.208 2.831 5.171 . 0 0 "[ . 1 . 2]" 1
834 1 76 HIS H 1 79 VAL QG . . 3.900 3.098 2.818 3.732 . 0 0 "[ . 1 . 2]" 1
835 1 76 HIS H 1 79 VAL MG2 . . 5.300 5.193 3.559 5.389 0.089 13 0 "[ . 1 . 2]" 1
836 1 76 HIS HA 1 76 HIS HD2 . . 3.820 3.158 2.277 3.922 0.102 15 0 "[ . 1 . 2]" 1
837 1 76 HIS HA 1 77 GLY H . . 3.310 2.547 2.144 2.888 . 0 0 "[ . 1 . 2]" 1
838 1 76 HIS HB2 1 77 GLY H . . 5.500 3.868 3.053 4.230 . 0 0 "[ . 1 . 2]" 1
839 1 76 HIS HB2 1 78 ASN H . . 4.620 4.097 2.703 4.650 0.030 6 0 "[ . 1 . 2]" 1
840 1 76 HIS HB2 1 79 VAL H . . 4.920 4.247 2.892 4.898 . 0 0 "[ . 1 . 2]" 1
841 1 76 HIS HB2 1 79 VAL HB . . 4.260 2.751 1.989 3.756 . 0 0 "[ . 1 . 2]" 1
842 1 76 HIS HB2 1 79 VAL MG1 . . 4.910 2.962 1.952 4.284 . 0 0 "[ . 1 . 2]" 1
843 1 76 HIS HB2 1 79 VAL QG . . 3.840 2.695 1.762 3.338 . 0 0 "[ . 1 . 2]" 1
844 1 76 HIS HB2 1 79 VAL MG2 . . 4.910 3.583 1.763 4.091 . 0 0 "[ . 1 . 2]" 1
845 1 76 HIS HB3 1 77 GLY H . . 5.500 3.026 1.685 3.952 . 0 0 "[ . 1 . 2]" 1
846 1 76 HIS HB3 1 78 ASN H . . 4.340 2.676 2.223 3.179 . 0 0 "[ . 1 . 2]" 1
847 1 76 HIS HB3 1 79 VAL H . . 5.050 3.088 2.287 4.112 . 0 0 "[ . 1 . 2]" 1
848 1 76 HIS HB3 1 79 VAL HB . . 5.480 2.362 1.853 5.198 . 0 0 "[ . 1 . 2]" 1
849 1 76 HIS HB3 1 79 VAL QG . . 4.150 2.515 1.935 3.683 . 0 0 "[ . 1 . 2]" 1
850 1 76 HIS HD2 1 79 VAL QG . . 4.870 4.643 3.884 5.017 0.147 10 0 "[ . 1 . 2]" 1
851 1 77 GLY H 1 78 ASN H . . 3.960 2.728 2.400 3.224 . 0 0 "[ . 1 . 2]" 1
852 1 77 GLY H 1 79 VAL QG . . 5.300 4.646 3.802 5.305 0.005 20 0 "[ . 1 . 2]" 1
853 1 78 ASN H 1 78 ASN HB2 . . 4.190 3.523 2.696 4.090 . 0 0 "[ . 1 . 2]" 1
854 1 78 ASN H 1 78 ASN QB . . 3.600 2.982 2.641 3.417 . 0 0 "[ . 1 . 2]" 1
855 1 78 ASN H 1 78 ASN HB3 . . 4.190 3.259 2.933 3.786 . 0 0 "[ . 1 . 2]" 1
856 1 78 ASN H 1 79 VAL H . . 5.500 2.354 1.783 3.192 . 0 0 "[ . 1 . 2]" 1
857 1 79 VAL H 1 79 VAL HB . . 3.360 2.790 2.481 2.975 . 0 0 "[ . 1 . 2]" 1
858 1 79 VAL H 1 79 VAL MG1 . . 4.550 2.202 2.020 3.776 . 0 0 "[ . 1 . 2]" 1
859 1 79 VAL H 1 79 VAL QG . . 3.480 2.113 2.012 2.292 . 0 0 "[ . 1 . 2]" 1
860 1 79 VAL H 1 79 VAL MG2 . . 4.550 3.739 2.201 3.867 . 0 0 "[ . 1 . 2]" 1
861 1 79 VAL HA 1 83 ALA MB . . 3.990 4.040 3.879 4.166 0.176 18 0 "[ . 1 . 2]" 1
862 1 79 VAL QG 1 83 ALA HA . . 5.130 4.220 4.129 4.467 . 0 0 "[ . 1 . 2]" 1
863 1 79 VAL QG 1 83 ALA MB . . 3.130 1.827 1.764 1.962 . 0 0 "[ . 1 . 2]" 1
864 1 79 VAL QG 1 84 LEU H . . 4.490 3.837 3.625 4.205 . 0 0 "[ . 1 . 2]" 1
865 1 79 VAL QG 1 84 LEU HA . . 5.060 3.859 3.672 4.166 . 0 0 "[ . 1 . 2]" 1
866 1 79 VAL QG 1 84 LEU QB . . 5.040 4.183 3.923 4.584 . 0 0 "[ . 1 . 2]" 1
867 1 79 VAL QG 1 84 LEU MD2 . . 5.440 1.918 1.735 2.272 . 0 0 "[ . 1 . 2]" 1
868 1 79 VAL MG1 1 83 ALA MB . . 3.600 3.535 1.942 3.719 0.119 19 0 "[ . 1 . 2]" 1
869 1 79 VAL MG2 1 83 ALA MB . . 3.600 1.919 1.769 3.675 0.075 16 0 "[ . 1 . 2]" 1
870 1 80 THR H 1 80 THR MG . . 3.690 2.396 2.280 2.645 . 0 0 "[ . 1 . 2]" 1
871 1 80 THR H 1 81 LEU H . . 5.350 4.585 4.530 4.631 . 0 0 "[ . 1 . 2]" 1
872 1 80 THR H 1 83 ALA H . . 4.720 4.034 3.881 4.222 . 0 0 "[ . 1 . 2]" 1
873 1 80 THR H 1 83 ALA MB . . 3.610 2.724 2.519 2.891 . 0 0 "[ . 1 . 2]" 1
874 1 80 THR HA 1 82 GLY H . . 5.230 4.272 4.120 4.434 . 0 0 "[ . 1 . 2]" 1
875 1 80 THR HB 1 82 GLY H . . 4.250 2.745 2.576 2.897 . 0 0 "[ . 1 . 2]" 1
876 1 80 THR HB 1 83 ALA H . . 5.050 3.510 3.306 3.702 . 0 0 "[ . 1 . 2]" 1
877 1 80 THR HB 1 84 LEU HG . . 5.500 5.493 5.349 5.557 0.057 20 0 "[ . 1 . 2]" 1
878 1 80 THR MG 1 81 LEU H . . 4.290 3.636 3.540 3.712 . 0 0 "[ . 1 . 2]" 1
879 1 80 THR MG 1 82 GLY H . . 5.050 4.365 4.234 4.492 . 0 0 "[ . 1 . 2]" 1
880 1 80 THR MG 1 83 ALA H . . 5.000 4.465 4.309 4.647 . 0 0 "[ . 1 . 2]" 1
881 1 81 LEU H 1 81 LEU HB2 . . 4.190 2.497 2.261 2.614 . 0 0 "[ . 1 . 2]" 1
882 1 81 LEU H 1 81 LEU QD . . 4.040 1.683 1.630 1.896 . 0 0 "[ . 1 . 2]" 1
883 1 81 LEU H 1 81 LEU HG . . 3.730 3.795 3.777 3.821 0.091 4 0 "[ . 1 . 2]" 1
884 1 81 LEU H 1 82 GLY H . . 3.910 2.628 2.547 2.772 . 0 0 "[ . 1 . 2]" 1
885 1 81 LEU H 1 84 LEU MD1 . . 4.840 4.087 3.701 4.282 . 0 0 "[ . 1 . 2]" 1
886 1 81 LEU H 1 84 LEU MD2 . . 5.380 5.218 4.972 5.456 0.076 16 0 "[ . 1 . 2]" 1
887 1 81 LEU HA 1 81 LEU QD . . 3.280 2.081 1.979 2.171 . 0 0 "[ . 1 . 2]" 1
888 1 81 LEU HA 1 84 LEU H . . 4.010 3.212 2.940 3.491 . 0 0 "[ . 1 . 2]" 1
889 1 81 LEU HA 1 84 LEU HB2 . . 5.000 2.869 2.038 3.236 . 0 0 "[ . 1 . 2]" 1
890 1 81 LEU HA 1 84 LEU HB3 . . 5.000 4.108 3.536 4.327 . 0 0 "[ . 1 . 2]" 1
891 1 81 LEU HA 1 84 LEU MD1 . . 3.750 1.930 1.796 2.047 . 0 0 "[ . 1 . 2]" 1
892 1 81 LEU HA 1 84 LEU MD2 . . 4.990 3.617 3.378 3.886 . 0 0 "[ . 1 . 2]" 1
893 1 81 LEU HA 1 84 LEU HG . . 4.030 2.105 1.876 2.572 . 0 0 "[ . 1 . 2]" 1
894 1 81 LEU HA 1 86 LEU QD . . 4.350 2.831 2.417 3.118 . 0 0 "[ . 1 . 2]" 1
895 1 81 LEU HA 1 94 MET ME . . 4.700 4.573 4.172 4.752 0.052 18 0 "[ . 1 . 2]" 1
896 1 81 LEU HB2 1 86 LEU QD . . 4.600 3.364 3.112 3.666 . 0 0 "[ . 1 . 2]" 1
897 1 81 LEU HB3 1 82 GLY H . . 4.730 3.794 3.436 3.918 . 0 0 "[ . 1 . 2]" 1
898 1 81 LEU HB3 1 86 LEU QD . . 3.370 1.954 1.843 2.162 . 0 0 "[ . 1 . 2]" 1
899 1 81 LEU QD 1 83 ALA H . . 5.440 4.749 4.606 4.855 . 0 0 "[ . 1 . 2]" 1
900 1 81 LEU QD 1 86 LEU QD . . 3.380 2.621 1.944 3.099 . 0 0 "[ . 1 . 2]" 1
901 1 81 LEU QD 1 94 MET HB2 . . 4.660 4.371 4.025 4.698 0.038 18 0 "[ . 1 . 2]" 1
902 1 81 LEU QD 1 94 MET ME . . 3.410 3.060 2.815 3.263 . 0 0 "[ . 1 . 2]" 1
903 1 81 LEU QD 1 94 MET HG3 . . 5.340 3.929 3.317 4.377 . 0 0 "[ . 1 . 2]" 1
904 1 81 LEU HG 1 86 LEU QD . . 4.080 3.307 2.312 3.663 . 0 0 "[ . 1 . 2]" 1
905 1 82 GLY H 1 83 ALA H . . 3.930 2.615 2.510 2.698 . 0 0 "[ . 1 . 2]" 1
906 1 82 GLY H 1 84 LEU H . . 5.000 3.896 3.649 4.025 . 0 0 "[ . 1 . 2]" 1
907 1 82 GLY H 1 84 LEU HG . . 4.720 4.599 4.460 4.770 0.050 18 0 "[ . 1 . 2]" 1
908 1 82 GLY QA 1 84 LEU H . . 4.990 3.585 3.488 3.684 . 0 0 "[ . 1 . 2]" 1
909 1 83 ALA H 1 83 ALA MB . . 3.110 2.233 2.204 2.261 . 0 0 "[ . 1 . 2]" 1
910 1 83 ALA H 1 84 LEU H . . 3.600 2.481 2.363 2.582 . 0 0 "[ . 1 . 2]" 1
911 1 83 ALA HA 1 85 LYS H . . 3.800 3.331 3.151 3.518 . 0 0 "[ . 1 . 2]" 1
912 1 83 ALA HA 1 85 LYS QD . . 4.820 4.090 3.720 4.480 . 0 0 "[ . 1 . 2]" 1
913 1 83 ALA HA 1 85 LYS QE . . 5.460 4.499 3.820 5.132 . 0 0 "[ . 1 . 2]" 1
914 1 83 ALA MB 1 84 LEU H . . 5.500 3.047 2.970 3.083 . 0 0 "[ . 1 . 2]" 1
915 1 84 LEU H 1 84 LEU HB2 . . 4.190 2.461 2.351 2.578 . 0 0 "[ . 1 . 2]" 1
916 1 84 LEU H 1 84 LEU QB . . 3.570 2.421 2.321 2.525 . 0 0 "[ . 1 . 2]" 1
917 1 84 LEU H 1 84 LEU HB3 . . 4.190 3.585 3.571 3.616 . 0 0 "[ . 1 . 2]" 1
918 1 84 LEU H 1 84 LEU MD1 . . 3.600 3.633 3.588 3.671 0.071 19 0 "[ . 1 . 2]" 1
919 1 84 LEU H 1 84 LEU MD2 . . 4.020 3.282 3.058 3.487 . 0 0 "[ . 1 . 2]" 1
920 1 84 LEU H 1 84 LEU HG . . 5.500 2.331 2.238 2.473 . 0 0 "[ . 1 . 2]" 1
921 1 84 LEU H 1 85 LYS H . . 3.250 2.515 2.340 2.741 . 0 0 "[ . 1 . 2]" 1
922 1 84 LEU HA 1 84 LEU MD1 . . 3.970 3.835 3.769 3.894 . 0 0 "[ . 1 . 2]" 1
923 1 84 LEU HA 1 84 LEU MD2 . . 3.520 2.170 2.053 2.283 . 0 0 "[ . 1 . 2]" 1
924 1 84 LEU HA 1 86 LEU QD . . 4.440 4.237 3.910 4.488 0.048 7 0 "[ . 1 . 2]" 1
925 1 84 LEU QB 1 84 LEU MD1 . . 2.680 2.021 1.985 2.043 . 0 0 "[ . 1 . 2]" 1
926 1 84 LEU QB 1 86 LEU QD . . 3.190 2.076 1.742 2.413 . 0 0 "[ . 1 . 2]" 1
927 1 84 LEU HB2 1 84 LEU MD1 . . 3.310 2.248 2.169 2.293 . 0 0 "[ . 1 . 2]" 1
928 1 84 LEU HB3 1 84 LEU MD1 . . 3.310 2.291 2.251 2.329 . 0 0 "[ . 1 . 2]" 1
929 1 84 LEU MD1 1 92 THR MG . . 4.580 3.629 2.871 4.609 0.029 18 0 "[ . 1 . 2]" 1
930 1 84 LEU MD1 1 94 MET HG2 . . 5.500 3.520 3.194 4.078 . 0 0 "[ . 1 . 2]" 1
931 1 84 LEU MD2 1 94 MET ME . . 2.890 2.829 2.563 2.976 0.086 16 0 "[ . 1 . 2]" 1
932 1 84 LEU HG 1 94 MET ME . . 4.240 4.274 4.173 4.304 0.064 8 0 "[ . 1 . 2]" 1
933 1 85 LYS H 1 85 LYS QB . . 3.490 3.441 3.402 3.478 . 0 0 "[ . 1 . 2]" 1
934 1 85 LYS H 1 85 LYS QD . . 4.190 2.459 2.286 2.663 . 0 0 "[ . 1 . 2]" 1
935 1 85 LYS H 1 85 LYS QG . . 4.090 3.520 3.380 3.639 . 0 0 "[ . 1 . 2]" 1
936 1 85 LYS H 1 86 LEU H . . 3.790 2.748 2.506 3.134 . 0 0 "[ . 1 . 2]" 1
937 1 85 LYS HA 1 85 LYS QD . . 3.710 3.118 3.009 3.260 . 0 0 "[ . 1 . 2]" 1
938 1 85 LYS HA 1 86 LEU H . . 3.530 2.678 2.201 3.102 . 0 0 "[ . 1 . 2]" 1
939 1 85 LYS HB2 1 85 LYS QD . . 3.680 2.352 2.308 2.391 . 0 0 "[ . 1 . 2]" 1
940 1 85 LYS HB3 1 85 LYS QD . . 3.680 3.314 3.288 3.337 . 0 0 "[ . 1 . 2]" 1
941 1 85 LYS QE 1 85 LYS HG2 . . 3.390 2.678 2.397 3.058 . 0 0 "[ . 1 . 2]" 1
942 1 85 LYS QE 1 85 LYS QG . . 2.870 2.242 2.128 2.375 . 0 0 "[ . 1 . 2]" 1
943 1 85 LYS QE 1 85 LYS HG3 . . 3.390 2.424 2.352 2.516 . 0 0 "[ . 1 . 2]" 1
944 1 86 LEU H 1 86 LEU QB . . 3.340 2.472 2.259 2.676 . 0 0 "[ . 1 . 2]" 1
945 1 86 LEU H 1 86 LEU QD . . 3.580 2.968 2.178 3.530 . 0 0 "[ . 1 . 2]" 1
946 1 86 LEU H 1 86 LEU HG . . 4.600 3.371 2.317 4.479 . 0 0 "[ . 1 . 2]" 1
947 1 86 LEU H 1 87 PRO HD3 . . 5.500 4.288 3.847 4.586 . 0 0 "[ . 1 . 2]" 1
948 1 86 LEU HA 1 86 LEU MD1 . . 4.520 3.289 2.424 3.866 . 0 0 "[ . 1 . 2]" 1
949 1 86 LEU HA 1 86 LEU QD . . 3.330 2.281 1.973 2.653 . 0 0 "[ . 1 . 2]" 1
950 1 86 LEU HA 1 86 LEU MD2 . . 4.520 2.834 1.979 3.834 . 0 0 "[ . 1 . 2]" 1
951 1 86 LEU HA 1 87 PRO HD3 . . 3.560 2.025 1.799 2.429 . 0 0 "[ . 1 . 2]" 1
952 1 86 LEU QB 1 87 PRO HD2 . . 4.160 3.362 3.130 3.584 . 0 0 "[ . 1 . 2]" 1
953 1 86 LEU QB 1 92 THR HB . . 4.750 4.447 3.739 4.769 0.019 16 0 "[ . 1 . 2]" 1
954 1 86 LEU HB2 1 87 PRO HD2 . . 4.790 4.689 4.454 4.838 0.048 6 0 "[ . 1 . 2]" 1
955 1 86 LEU HB2 1 87 PRO HD3 . . 4.990 4.781 4.611 5.025 0.035 13 0 "[ . 1 . 2]" 1
956 1 86 LEU HB3 1 87 PRO HD2 . . 4.790 3.446 3.188 3.700 . 0 0 "[ . 1 . 2]" 1
957 1 86 LEU HB3 1 87 PRO HD3 . . 4.990 4.095 3.758 4.433 . 0 0 "[ . 1 . 2]" 1
958 1 86 LEU QD 1 87 PRO HD2 . . 4.040 3.632 2.994 4.137 0.097 14 0 "[ . 1 . 2]" 1
959 1 86 LEU QD 1 87 PRO HD3 . . 4.090 3.705 3.149 4.126 0.036 1 0 "[ . 1 . 2]" 1
960 1 86 LEU QD 1 92 THR HB . . 4.070 2.381 1.988 3.024 . 0 0 "[ . 1 . 2]" 1
961 1 86 LEU QD 1 92 THR MG . . 3.080 1.935 1.793 2.234 . 0 0 "[ . 1 . 2]" 1
962 1 86 LEU QD 1 94 MET HG3 . . 4.950 3.910 3.120 4.459 . 0 0 "[ . 1 . 2]" 1
963 1 86 LEU MD1 1 87 PRO HD2 . . 5.270 4.745 4.332 5.148 . 0 0 "[ . 1 . 2]" 1
964 1 86 LEU MD1 1 92 THR MG . . 3.560 2.135 1.884 2.371 . 0 0 "[ . 1 . 2]" 1
965 1 86 LEU MD2 1 87 PRO HD2 . . 5.270 3.926 3.024 4.826 . 0 0 "[ . 1 . 2]" 1
966 1 86 LEU MD2 1 92 THR MG . . 3.560 2.259 1.890 2.880 . 0 0 "[ . 1 . 2]" 1
967 1 87 PRO HB2 1 90 LYS QG . . 4.110 2.753 2.165 3.880 . 0 0 "[ . 1 . 2]" 1
968 1 87 PRO HD2 1 90 LYS QB . . 4.950 3.302 2.501 4.987 0.037 16 0 "[ . 1 . 2]" 1
969 1 87 PRO QG 1 90 LYS HD2 . . 4.650 3.402 1.947 4.706 0.056 3 0 "[ . 1 . 2]" 1
970 1 87 PRO QG 1 90 LYS QD . . 3.940 3.154 1.934 3.977 0.037 13 0 "[ . 1 . 2]" 1
971 1 87 PRO QG 1 90 LYS HD3 . . 4.650 4.050 3.077 4.701 0.051 4 0 "[ . 1 . 2]" 1
972 1 88 PHE H 1 88 PHE HB2 . . 3.540 2.865 2.481 3.573 0.033 1 0 "[ . 1 . 2]" 1
973 1 88 PHE H 1 88 PHE HB3 . . 3.820 3.473 2.946 3.639 . 0 0 "[ . 1 . 2]" 1
974 1 88 PHE H 1 88 PHE QD . . 4.580 2.865 2.053 3.120 . 0 0 "[ . 1 . 2]" 1
975 1 88 PHE H 1 89 GLY H . . 5.180 4.563 4.458 4.612 . 0 0 "[ . 1 . 2]" 1
976 1 88 PHE H 1 90 LYS QG . . 4.730 4.634 4.093 4.848 0.118 8 0 "[ . 1 . 2]" 1
977 1 88 PHE HA 1 88 PHE QD . . 3.980 2.733 2.164 3.689 . 0 0 "[ . 1 . 2]" 1
978 1 88 PHE HA 1 89 GLY H . . 3.430 2.249 2.047 2.432 . 0 0 "[ . 1 . 2]" 1
979 1 88 PHE HA 1 90 LYS H . . 4.280 3.230 2.847 3.511 . 0 0 "[ . 1 . 2]" 1
980 1 88 PHE HA 1 90 LYS QG . . 5.120 4.551 4.033 5.077 . 0 0 "[ . 1 . 2]" 1
981 1 88 PHE HB2 1 89 GLY H . . 5.500 3.469 2.610 3.919 . 0 0 "[ . 1 . 2]" 1
982 1 88 PHE HB3 1 89 GLY H . . 5.500 2.968 2.392 3.786 . 0 0 "[ . 1 . 2]" 1
983 1 88 PHE HB3 1 90 LYS H . . 5.410 4.961 4.757 5.288 . 0 0 "[ . 1 . 2]" 1
984 1 89 GLY H 1 90 LYS H . . 3.760 2.554 2.365 2.718 . 0 0 "[ . 1 . 2]" 1
985 1 90 LYS H 1 90 LYS HB2 . . 4.120 2.834 2.494 3.931 . 0 0 "[ . 1 . 2]" 1
986 1 90 LYS H 1 90 LYS QB . . 3.470 2.632 2.455 3.161 . 0 0 "[ . 1 . 2]" 1
987 1 90 LYS H 1 90 LYS HB3 . . 4.120 3.610 3.009 3.813 . 0 0 "[ . 1 . 2]" 1
988 1 90 LYS H 1 90 LYS QG . . 3.830 2.666 2.386 2.848 . 0 0 "[ . 1 . 2]" 1
989 1 90 LYS H 1 91 THR H . . 4.520 4.486 4.451 4.528 0.008 8 0 "[ . 1 . 2]" 1
990 1 90 LYS HA 1 90 LYS HD2 . . 4.380 3.764 2.100 4.530 0.150 15 0 "[ . 1 . 2]" 1
991 1 90 LYS HA 1 90 LYS QD . . 3.850 3.103 2.026 3.859 0.009 19 0 "[ . 1 . 2]" 1
992 1 90 LYS HA 1 90 LYS HD3 . . 4.380 3.438 2.060 4.341 . 0 0 "[ . 1 . 2]" 1
993 1 90 LYS HA 1 90 LYS QE . . 5.500 4.550 2.698 5.436 . 0 0 "[ . 1 . 2]" 1
994 1 90 LYS QB 1 90 LYS QD . . 3.330 2.238 2.021 2.808 . 0 0 "[ . 1 . 2]" 1
995 1 90 LYS QB 1 90 LYS QE . . 4.530 3.561 2.025 3.820 . 0 0 "[ . 1 . 2]" 1
996 1 90 LYS QB 1 91 THR H . . 3.260 2.612 2.336 3.016 . 0 0 "[ . 1 . 2]" 1
997 1 90 LYS HB2 1 91 THR H . . 4.000 3.533 2.361 4.039 0.039 2 0 "[ . 1 . 2]" 1
998 1 90 LYS HB3 1 91 THR H . . 4.000 2.928 2.474 3.862 . 0 0 "[ . 1 . 2]" 1
999 1 90 LYS QG 1 91 THR H . . 5.340 4.176 3.787 4.657 . 0 0 "[ . 1 . 2]" 1
1000 1 91 THR H 1 91 THR HB . . 3.270 2.509 2.425 2.590 . 0 0 "[ . 1 . 2]" 1
1001 1 91 THR H 1 91 THR MG . . 4.300 3.770 3.713 3.825 . 0 0 "[ . 1 . 2]" 1
1002 1 91 THR HA 1 92 THR H . . 3.180 2.096 2.010 2.223 . 0 0 "[ . 1 . 2]" 1
1003 1 91 THR HB 1 92 THR H . . 4.840 4.179 4.055 4.259 . 0 0 "[ . 1 . 2]" 1
1004 1 91 THR MG 1 92 THR H . . 3.740 2.782 2.515 2.944 . 0 0 "[ . 1 . 2]" 1
1005 1 92 THR H 1 92 THR HB . . 3.680 2.690 2.517 2.843 . 0 0 "[ . 1 . 2]" 1
1006 1 92 THR H 1 92 THR MG . . 4.640 3.881 3.774 3.965 . 0 0 "[ . 1 . 2]" 1
1007 1 92 THR HA 1 92 THR MG . . 3.460 2.365 2.314 2.440 . 0 0 "[ . 1 . 2]" 1
1008 1 92 THR MG 1 93 VAL H . . 5.500 2.490 2.338 2.755 . 0 0 "[ . 1 . 2]" 1
1009 1 92 THR MG 1 94 MET HA . . 5.370 4.459 4.263 4.667 . 0 0 "[ . 1 . 2]" 1
1010 1 92 THR MG 1 94 MET HG2 . . 4.620 3.389 3.075 3.655 . 0 0 "[ . 1 . 2]" 1
1011 1 92 THR MG 1 94 MET HG3 . . 4.910 2.670 2.098 3.058 . 0 0 "[ . 1 . 2]" 1
1012 1 93 VAL H 1 93 VAL HB . . 3.460 2.969 2.840 3.131 . 0 0 "[ . 1 . 2]" 1
1013 1 93 VAL H 1 93 VAL MG1 . . 4.170 2.041 1.974 2.126 . 0 0 "[ . 1 . 2]" 1
1014 1 93 VAL H 1 93 VAL QG . . 3.250 2.033 1.967 2.116 . 0 0 "[ . 1 . 2]" 1
1015 1 93 VAL H 1 93 VAL MG2 . . 4.170 3.842 3.799 3.876 . 0 0 "[ . 1 . 2]" 1
1016 1 93 VAL HA 1 93 VAL MG1 . . 3.580 3.230 3.199 3.242 . 0 0 "[ . 1 . 2]" 1
1017 1 93 VAL HA 1 93 VAL MG2 . . 3.580 2.394 2.355 2.436 . 0 0 "[ . 1 . 2]" 1
1018 1 93 VAL QG 1 95 HIS H . . 4.570 4.447 4.314 4.587 0.017 16 0 "[ . 1 . 2]" 1
1019 1 93 VAL QG 1 95 HIS HD2 . . 3.980 3.590 2.955 4.047 0.067 20 0 "[ . 1 . 2]" 1
1020 1 93 VAL MG1 1 94 MET H . . 5.500 3.926 3.779 4.113 . 0 0 "[ . 1 . 2]" 1
1021 1 93 VAL MG1 1 95 HIS HD2 . . 4.930 4.272 3.827 4.723 . 0 0 "[ . 1 . 2]" 1
1022 1 93 VAL MG2 1 94 MET H . . 5.500 2.511 2.334 2.794 . 0 0 "[ . 1 . 2]" 1
1023 1 93 VAL MG2 1 95 HIS HD2 . . 4.930 3.880 3.075 4.446 . 0 0 "[ . 1 . 2]" 1
1024 1 94 MET H 1 94 MET HB2 . . 4.080 2.736 2.647 2.796 . 0 0 "[ . 1 . 2]" 1
1025 1 94 MET H 1 94 MET HG2 . . 5.060 4.169 3.959 4.262 . 0 0 "[ . 1 . 2]" 1
1026 1 94 MET H 1 94 MET HG3 . . 4.930 3.239 2.994 3.335 . 0 0 "[ . 1 . 2]" 1
1027 1 94 MET HA 1 94 MET ME . . 5.000 3.853 3.783 3.904 . 0 0 "[ . 1 . 2]" 1
1028 1 94 MET HA 1 94 MET HG2 . . 4.140 2.509 2.442 2.581 . 0 0 "[ . 1 . 2]" 1
1029 1 94 MET HB2 1 94 MET ME . . 4.150 3.016 2.873 3.119 . 0 0 "[ . 1 . 2]" 1
1030 1 94 MET HB2 1 95 HIS H . . 5.500 3.736 3.687 3.779 . 0 0 "[ . 1 . 2]" 1
1031 1 94 MET HB3 1 94 MET ME . . 5.070 2.042 1.977 2.110 . 0 0 "[ . 1 . 2]" 1
1032 1 94 MET HB3 1 95 HIS H . . 5.500 2.538 2.477 2.587 . 0 0 "[ . 1 . 2]" 1
1033 1 94 MET ME 1 94 MET HG2 . . 3.840 2.476 2.419 2.538 . 0 0 "[ . 1 . 2]" 1
1034 1 94 MET ME 1 94 MET HG3 . . 3.880 3.406 3.380 3.422 . 0 0 "[ . 1 . 2]" 1
1035 1 94 MET HG2 1 95 HIS H . . 5.500 3.946 3.770 4.081 . 0 0 "[ . 1 . 2]" 1
1036 1 95 HIS HB3 1 96 LEU H . . 4.150 3.106 2.840 3.257 . 0 0 "[ . 1 . 2]" 1
1037 1 95 HIS HB3 1 96 LEU HA . . 5.500 4.552 4.348 4.734 . 0 0 "[ . 1 . 2]" 1
1038 1 96 LEU H 1 96 LEU HB2 . . 4.050 2.585 2.482 2.667 . 0 0 "[ . 1 . 2]" 1
1039 1 96 LEU H 1 96 LEU HB3 . . 3.870 3.723 3.643 3.784 . 0 0 "[ . 1 . 2]" 1
1040 1 96 LEU H 1 96 LEU QD . . 5.190 2.437 2.301 2.695 . 0 0 "[ . 1 . 2]" 1
1041 1 96 LEU H 1 96 LEU HG . . 4.740 4.380 4.281 4.480 . 0 0 "[ . 1 . 2]" 1
1042 1 96 LEU H 1 97 VAL H . . 5.090 4.403 4.344 4.468 . 0 0 "[ . 1 . 2]" 1
1043 1 96 LEU HA 1 96 LEU MD1 . . 3.790 2.105 2.016 2.160 . 0 0 "[ . 1 . 2]" 1
1044 1 96 LEU HA 1 96 LEU QD . . 3.290 2.064 1.963 2.119 . 0 0 "[ . 1 . 2]" 1
1045 1 96 LEU HA 1 96 LEU MD2 . . 3.790 2.979 2.698 3.075 . 0 0 "[ . 1 . 2]" 1
1046 1 97 VAL H 1 97 VAL MG1 . . 3.850 2.898 2.771 3.027 . 0 0 "[ . 1 . 2]" 1
1047 1 97 VAL H 1 97 VAL MG2 . . 3.690 2.246 2.135 2.464 . 0 0 "[ . 1 . 2]" 1
1048 1 97 VAL H 1 98 ALA H . . 5.010 4.303 4.240 4.370 . 0 0 "[ . 1 . 2]" 1
1049 1 97 VAL HA 1 97 VAL MG1 . . 3.460 2.394 2.342 2.510 . 0 0 "[ . 1 . 2]" 1
1050 1 97 VAL HB 1 98 ALA H . . 3.740 3.070 2.889 3.255 . 0 0 "[ . 1 . 2]" 1
1051 1 98 ALA H 1 98 ALA MB . . 3.430 2.568 2.515 2.655 . 0 0 "[ . 1 . 2]" 1
1052 1 98 ALA HA 1 99 ARG H . . 3.170 2.224 2.085 2.412 . 0 0 "[ . 1 . 2]" 1
1053 1 98 ALA MB 1 99 ARG H . . 3.560 2.824 2.646 3.253 . 0 0 "[ . 1 . 2]" 1
1054 1 99 ARG H 1 99 ARG HB2 . . 3.970 2.742 2.264 3.132 . 0 0 "[ . 1 . 2]" 1
1055 1 99 ARG H 1 99 ARG QB . . 3.470 2.497 2.187 2.725 . 0 0 "[ . 1 . 2]" 1
1056 1 99 ARG H 1 99 ARG HB3 . . 3.970 3.202 2.392 3.828 . 0 0 "[ . 1 . 2]" 1
1057 1 99 ARG H 1 99 ARG QG . . 4.030 3.531 2.588 4.098 0.068 10 0 "[ . 1 . 2]" 1
1058 1 99 ARG H 1 101 THR HA . . 4.850 4.881 4.523 5.007 0.157 16 0 "[ . 1 . 2]" 1
1059 1 99 ARG HA 1 99 ARG QG . . 3.700 2.495 2.381 2.966 . 0 0 "[ . 1 . 2]" 1
1060 1 99 ARG HA 1 101 THR H . . 4.740 3.792 3.239 4.889 0.149 10 0 "[ . 1 . 2]" 1
1061 1 99 ARG QB 1 100 GLU H . . 3.840 3.314 2.617 3.860 0.020 10 0 "[ . 1 . 2]" 1
1062 1 99 ARG QB 1 101 THR H . . 5.030 4.467 2.933 5.089 0.059 7 0 "[ . 1 . 2]" 1
1063 1 99 ARG QG 1 100 GLU H . . 4.440 3.573 2.179 4.457 0.017 2 0 "[ . 1 . 2]" 1
1064 1 100 GLU H 1 100 GLU QB . . 3.820 3.195 2.125 3.420 . 0 0 "[ . 1 . 2]" 1
1065 1 100 GLU H 1 101 THR H . . 4.100 2.886 2.515 3.976 . 0 0 "[ . 1 . 2]" 1
1066 1 100 GLU HA 1 101 THR H . . 3.330 2.998 2.311 3.441 0.111 17 0 "[ . 1 . 2]" 1
1067 1 100 GLU QB 1 101 THR H . . 5.500 3.381 1.793 3.916 . 0 0 "[ . 1 . 2]" 1
1068 1 101 THR H 1 101 THR HB . . 4.060 2.953 2.411 3.939 . 0 0 "[ . 1 . 2]" 1
1069 1 101 THR H 1 101 THR MG . . 4.220 3.265 1.953 4.075 . 0 0 "[ . 1 . 2]" 1
1070 1 101 THR H 1 102 LEU H . . 4.380 3.902 2.277 4.515 0.135 6 0 "[ . 1 . 2]" 1
1071 1 101 THR HA 1 101 THR MG . . 3.470 2.668 2.295 3.242 . 0 0 "[ . 1 . 2]" 1
1072 1 102 LEU H 1 102 LEU QB . . 3.010 2.415 2.173 2.506 . 0 0 "[ . 1 . 2]" 1
1073 1 102 LEU H 1 102 LEU QD . . 4.590 2.438 1.858 3.779 . 0 0 "[ . 1 . 2]" 1
1074 1 102 LEU H 1 102 LEU HG . . 4.450 4.003 3.586 4.476 0.026 7 0 "[ . 1 . 2]" 1
1075 1 102 LEU H 1 103 PRO HD2 . . 5.260 5.058 4.787 5.285 0.025 14 0 "[ . 1 . 2]" 1
1076 1 102 LEU H 1 103 PRO HD3 . . 4.990 4.764 4.374 5.049 0.059 18 0 "[ . 1 . 2]" 1
1077 1 102 LEU HA 1 102 LEU QD . . 3.470 2.607 2.014 2.956 . 0 0 "[ . 1 . 2]" 1
1078 1 102 LEU HA 1 103 PRO HD2 . . 3.310 2.556 2.171 3.268 . 0 0 "[ . 1 . 2]" 1
1079 1 102 LEU HA 1 103 PRO HD3 . . 3.310 2.153 1.851 2.402 . 0 0 "[ . 1 . 2]" 1
1080 1 102 LEU QB 1 103 PRO HD2 . . 3.640 2.730 2.102 3.798 0.158 5 0 "[ . 1 . 2]" 1
1081 1 102 LEU QB 1 103 PRO HD3 . . 4.090 3.584 2.807 4.137 0.047 19 0 "[ . 1 . 2]" 1
1082 1 102 LEU QB 1 104 GLU HA . . 5.160 4.888 3.832 5.289 0.129 3 0 "[ . 1 . 2]" 1
1083 1 102 LEU QD 1 103 PRO HD2 . . 4.180 3.407 1.928 4.219 0.039 17 0 "[ . 1 . 2]" 1
1084 1 102 LEU QD 1 103 PRO HD3 . . 4.580 3.891 2.640 4.600 0.020 1 0 "[ . 1 . 2]" 1
1085 1 102 LEU HG 1 103 PRO HD2 . . 4.790 3.604 2.195 4.804 0.014 9 0 "[ . 1 . 2]" 1
1086 1 102 LEU HG 1 103 PRO HD3 . . 5.500 4.270 3.184 5.505 0.005 9 0 "[ . 1 . 2]" 1
1087 1 104 GLU HA 1 105 PRO HD2 . . 3.280 2.146 1.866 2.441 . 0 0 "[ . 1 . 2]" 1
1088 1 104 GLU HA 1 105 PRO QD . . 2.870 2.027 1.837 2.332 . 0 0 "[ . 1 . 2]" 1
1089 1 104 GLU HA 1 105 PRO HD3 . . 3.280 2.574 2.212 2.959 . 0 0 "[ . 1 . 2]" 1
1090 1 104 GLU QB 1 105 PRO QD . . 4.190 2.709 1.807 3.684 . 0 0 "[ . 1 . 2]" 1
1091 1 104 GLU QB 1 106 ASN H . . 4.500 3.506 2.171 4.531 0.031 16 0 "[ . 1 . 2]" 1
1092 1 104 GLU QB 1 107 SER H . . 4.780 3.549 2.196 4.819 0.039 5 0 "[ . 1 . 2]" 1
1093 1 104 GLU QG 1 107 SER H . . 5.420 4.085 1.847 5.613 0.193 3 0 "[ . 1 . 2]" 1
1094 1 105 PRO HB2 1 108 GLN H . . 4.850 4.619 3.156 4.975 0.125 17 0 "[ . 1 . 2]" 1
1095 1 105 PRO QG 1 108 GLN H . . 3.850 3.645 3.057 3.986 0.136 9 0 "[ . 1 . 2]" 1
1096 1 106 ASN H 1 108 GLN H . . 3.540 3.268 2.463 3.667 0.127 3 0 "[ . 1 . 2]" 1
1097 1 106 ASN QB 1 108 GLN H . . 4.490 4.133 3.370 4.557 0.067 18 0 "[ . 1 . 2]" 1
1098 1 108 GLN H 1 108 GLN QG . . 4.350 2.764 1.886 4.178 . 0 0 "[ . 1 . 2]" 1
1099 1 108 GLN QB 1 110 GLN H . . 3.430 2.580 2.284 3.005 . 0 0 "[ . 1 . 2]" 1
1100 1 108 GLN HB2 1 110 GLN H . . 4.140 3.093 2.537 4.214 0.074 16 0 "[ . 1 . 2]" 1
1101 1 108 GLN HB3 1 110 GLN H . . 4.140 3.247 2.439 4.303 0.163 17 0 "[ . 1 . 2]" 1
1102 1 108 GLN QG 1 110 GLN H . . 4.250 3.310 1.761 4.450 0.200 8 0 "[ . 1 . 2]" 1
1103 1 112 ASN H 1 112 ASN QB . . 3.920 2.618 2.188 3.405 . 0 0 "[ . 1 . 2]" 1
1104 1 113 ARG HA 1 113 ARG QD . . 3.780 3.241 1.909 4.021 0.241 13 0 "[ . 1 . 2]" 1
1105 1 113 ARG QB 1 119 SER H . . 5.140 4.348 3.263 5.193 0.053 6 0 "[ . 1 . 2]" 1
1106 1 113 ARG QD 1 118 GLU HA . . 5.030 3.543 2.505 5.139 0.109 4 0 "[ . 1 . 2]" 1
1107 1 113 ARG QD 1 118 GLU QB . . 4.320 3.526 1.874 4.387 0.067 3 0 "[ . 1 . 2]" 1
1108 1 113 ARG QD 1 119 SER H . . 3.750 3.475 2.169 3.867 0.117 20 0 "[ . 1 . 2]" 1
1109 1 113 ARG QG 1 118 GLU HA . . 4.840 3.746 1.917 4.795 . 0 0 "[ . 1 . 2]" 1
1110 1 116 THR H 1 116 THR MG . . 4.670 2.764 1.929 4.068 . 0 0 "[ . 1 . 2]" 1
1111 1 116 THR HA 1 116 THR HB . . 2.840 2.609 2.426 3.002 0.162 20 0 "[ . 1 . 2]" 1
1112 1 116 THR HA 1 118 GLU H . . 4.140 3.875 3.153 4.282 0.142 19 0 "[ . 1 . 2]" 1
1113 1 118 GLU H 1 118 GLU QG . . 4.510 2.629 1.990 4.521 0.011 5 0 "[ . 1 . 2]" 1
1114 1 119 SER H 1 119 SER QB . . 3.670 2.770 2.231 3.418 . 0 0 "[ . 1 . 2]" 1
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