NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
419238 |
2e9i   |
10142 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2e9i
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 1446
_Distance_constraint_stats_list.Viol_count 232
_Distance_constraint_stats_list.Viol_total 42.042
_Distance_constraint_stats_list.Viol_max 0.089
_Distance_constraint_stats_list.Viol_rms 0.0016
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0091
_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 8 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ILE 0.100 0.075 7 0 "[ . 1 . 2]"
1 14 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 SER 0.007 0.007 15 0 "[ . 1 . 2]"
1 22 VAL 0.050 0.034 13 0 "[ . 1 . 2]"
1 23 ALA 0.044 0.034 13 0 "[ . 1 . 2]"
1 24 THR 0.005 0.005 11 0 "[ . 1 . 2]"
1 25 VAL 0.008 0.005 15 0 "[ . 1 . 2]"
1 26 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 SER 0.006 0.006 15 0 "[ . 1 . 2]"
1 28 ILE 0.000 0.000 20 0 "[ . 1 . 2]"
1 29 CYS 0.002 0.002 4 0 "[ . 1 . 2]"
1 30 ASP 0.001 0.001 5 0 "[ . 1 . 2]"
1 31 LEU 0.037 0.007 18 0 "[ . 1 . 2]"
1 32 ASN 0.007 0.003 18 0 "[ . 1 . 2]"
1 33 LEU 0.001 0.001 15 0 "[ . 1 . 2]"
1 34 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ILE 0.012 0.005 9 0 "[ . 1 . 2]"
1 36 PRO 0.006 0.005 9 0 "[ . 1 . 2]"
1 37 GLU 0.029 0.024 14 0 "[ . 1 . 2]"
1 38 ILE 0.007 0.004 16 0 "[ . 1 . 2]"
1 39 ASN 0.001 0.001 17 0 "[ . 1 . 2]"
1 40 SER 0.002 0.001 17 0 "[ . 1 . 2]"
1 41 SER 0.000 0.000 9 0 "[ . 1 . 2]"
1 42 ASP 0.003 0.002 11 0 "[ . 1 . 2]"
1 43 MET 0.010 0.007 8 0 "[ . 1 . 2]"
1 44 SER 0.011 0.007 8 0 "[ . 1 . 2]"
1 45 ALA 0.001 0.001 7 0 "[ . 1 . 2]"
1 46 HIS 0.000 0.000 15 0 "[ . 1 . 2]"
1 47 VAL 0.019 0.011 17 0 "[ . 1 . 2]"
1 48 THR 0.080 0.022 5 0 "[ . 1 . 2]"
1 49 SER 0.065 0.022 5 0 "[ . 1 . 2]"
1 50 PRO 0.019 0.006 10 0 "[ . 1 . 2]"
1 51 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 GLY 0.021 0.014 17 0 "[ . 1 . 2]"
1 53 ARG 0.017 0.011 10 0 "[ . 1 . 2]"
1 54 VAL 0.021 0.011 17 0 "[ . 1 . 2]"
1 55 THR 0.002 0.001 16 0 "[ . 1 . 2]"
1 56 GLU 0.007 0.006 18 0 "[ . 1 . 2]"
1 57 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 GLU 0.007 0.004 18 0 "[ . 1 . 2]"
1 59 ILE 0.005 0.002 7 0 "[ . 1 . 2]"
1 60 VAL 0.024 0.005 18 0 "[ . 1 . 2]"
1 61 PRO 0.001 0.001 2 0 "[ . 1 . 2]"
1 62 MET 0.039 0.013 6 0 "[ . 1 . 2]"
1 63 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 LYS 0.037 0.027 11 0 "[ . 1 . 2]"
1 65 ASN 0.001 0.001 11 0 "[ . 1 . 2]"
1 66 SER 0.067 0.027 11 0 "[ . 1 . 2]"
1 67 HIS 0.042 0.020 14 0 "[ . 1 . 2]"
1 68 CYS 0.030 0.008 3 0 "[ . 1 . 2]"
1 69 VAL 0.011 0.007 18 0 "[ . 1 . 2]"
1 70 ARG 0.044 0.009 9 0 "[ . 1 . 2]"
1 71 PHE 0.009 0.006 9 0 "[ . 1 . 2]"
1 72 VAL 0.288 0.032 11 0 "[ . 1 . 2]"
1 73 PRO 0.294 0.032 11 0 "[ . 1 . 2]"
1 74 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 GLU 0.303 0.089 11 0 "[ . 1 . 2]"
1 76 MET 0.306 0.043 9 0 "[ . 1 . 2]"
1 77 GLY 0.311 0.043 9 0 "[ . 1 . 2]"
1 78 VAL 0.012 0.005 15 0 "[ . 1 . 2]"
1 79 HIS 0.026 0.006 10 0 "[ . 1 . 2]"
1 80 THR 0.009 0.004 17 0 "[ . 1 . 2]"
1 81 VAL 0.007 0.004 15 0 "[ . 1 . 2]"
1 82 SER 0.002 0.002 16 0 "[ . 1 . 2]"
1 83 VAL 0.000 0.000 15 0 "[ . 1 . 2]"
1 84 LYS 0.002 0.001 20 0 "[ . 1 . 2]"
1 85 TYR 0.010 0.005 2 0 "[ . 1 . 2]"
1 86 ARG 0.009 0.006 4 0 "[ . 1 . 2]"
1 87 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 GLN 0.002 0.001 16 0 "[ . 1 . 2]"
1 89 HIS 0.006 0.001 11 0 "[ . 1 . 2]"
1 90 VAL 0.001 0.001 17 0 "[ . 1 . 2]"
1 91 THR 0.000 0.000 16 0 "[ . 1 . 2]"
1 92 GLY 0.000 0.000 16 0 "[ . 1 . 2]"
1 93 SER 0.023 0.011 15 0 "[ . 1 . 2]"
1 94 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 PHE 0.100 0.023 6 0 "[ . 1 . 2]"
1 96 GLN 0.489 0.063 20 0 "[ . 1 . 2]"
1 97 PHE 0.041 0.005 15 0 "[ . 1 . 2]"
1 98 THR 0.009 0.004 11 0 "[ . 1 . 2]"
1 99 VAL 0.011 0.008 15 0 "[ . 1 . 2]"
1 100 GLY 0.042 0.019 6 0 "[ . 1 . 2]"
1 101 PRO 0.031 0.019 6 0 "[ . 1 . 2]"
1 102 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 ARG H 1 8 ARG QG . . 5.020 3.458 2.280 4.164 . 0 0 "[ . 1 . 2]" 1
2 1 8 ARG HA 1 8 ARG QD . . 4.340 3.455 2.108 4.148 . 0 0 "[ . 1 . 2]" 1
3 1 8 ARG HA 1 9 VAL H . . 3.200 2.362 2.147 2.760 . 0 0 "[ . 1 . 2]" 1
4 1 8 ARG QB 1 8 ARG QD . . 3.480 2.274 2.032 2.666 . 0 0 "[ . 1 . 2]" 1
5 1 9 VAL H 1 9 VAL HB . . 3.710 2.947 2.428 3.709 . 0 0 "[ . 1 . 2]" 1
6 1 9 VAL H 1 9 VAL MG1 . . 4.570 3.110 1.929 3.900 . 0 0 "[ . 1 . 2]" 1
7 1 9 VAL H 1 9 VAL QG . . 3.940 2.276 1.869 3.100 . 0 0 "[ . 1 . 2]" 1
8 1 9 VAL H 1 9 VAL MG2 . . 4.570 2.941 1.897 3.974 . 0 0 "[ . 1 . 2]" 1
9 1 9 VAL HA 1 10 LYS H . . 3.290 2.212 2.139 2.801 . 0 0 "[ . 1 . 2]" 1
10 1 9 VAL HB 1 10 LYS H . . 4.630 4.136 3.265 4.624 . 0 0 "[ . 1 . 2]" 1
11 1 9 VAL QG 1 10 LYS H . . 4.700 2.706 1.929 3.630 . 0 0 "[ . 1 . 2]" 1
12 1 10 LYS H 1 10 LYS QB . . 3.630 2.645 2.220 3.231 . 0 0 "[ . 1 . 2]" 1
13 1 10 LYS H 1 10 LYS QG . . 4.720 3.141 2.026 4.244 . 0 0 "[ . 1 . 2]" 1
14 1 10 LYS HA 1 11 GLU H . . 3.290 2.366 2.142 2.774 . 0 0 "[ . 1 . 2]" 1
15 1 11 GLU H 1 11 GLU QB . . 3.580 2.553 2.171 3.084 . 0 0 "[ . 1 . 2]" 1
16 1 11 GLU H 1 11 GLU QG . . 4.590 2.940 1.919 4.392 . 0 0 "[ . 1 . 2]" 1
17 1 12 SER HA 1 13 ILE H . . 3.370 2.262 2.139 2.709 . 0 0 "[ . 1 . 2]" 1
18 1 12 SER QB 1 13 ILE H . . 4.570 3.214 2.305 4.037 . 0 0 "[ . 1 . 2]" 1
19 1 13 ILE H 1 13 ILE HB . . 3.850 3.070 2.572 3.854 0.004 12 0 "[ . 1 . 2]" 1
20 1 13 ILE H 1 13 ILE MD . . 4.860 3.488 1.820 4.526 . 0 0 "[ . 1 . 2]" 1
21 1 13 ILE H 1 13 ILE HG12 . . 4.440 3.400 2.116 4.440 0.000 7 0 "[ . 1 . 2]" 1
22 1 13 ILE H 1 13 ILE QG . . 3.890 2.846 2.032 3.965 0.075 7 0 "[ . 1 . 2]" 1
23 1 13 ILE H 1 13 ILE HG13 . . 4.440 3.446 2.150 4.460 0.020 7 0 "[ . 1 . 2]" 1
24 1 13 ILE H 1 13 ILE MG . . 4.540 3.054 1.843 3.947 . 0 0 "[ . 1 . 2]" 1
25 1 13 ILE HA 1 13 ILE MD . . 4.390 3.399 2.002 4.149 . 0 0 "[ . 1 . 2]" 1
26 1 13 ILE HA 1 13 ILE QG . . 3.630 2.868 2.333 3.423 . 0 0 "[ . 1 . 2]" 1
27 1 13 ILE HA 1 13 ILE MG . . 3.260 2.495 2.075 3.182 . 0 0 "[ . 1 . 2]" 1
28 1 13 ILE HA 1 14 THR H . . 3.470 2.385 2.138 3.451 . 0 0 "[ . 1 . 2]" 1
29 1 13 ILE HA 1 14 THR MG . . 4.810 3.919 3.492 4.706 . 0 0 "[ . 1 . 2]" 1
30 1 13 ILE HB 1 14 THR H . . 5.150 3.729 2.045 4.463 . 0 0 "[ . 1 . 2]" 1
31 1 13 ILE HG12 1 13 ILE MG . . 3.680 2.467 2.028 3.200 . 0 0 "[ . 1 . 2]" 1
32 1 13 ILE HG13 1 13 ILE MG . . 3.680 2.823 2.126 3.188 . 0 0 "[ . 1 . 2]" 1
33 1 13 ILE MG 1 14 THR H . . 4.720 3.497 2.160 4.410 . 0 0 "[ . 1 . 2]" 1
34 1 14 THR H 1 14 THR MG . . 4.530 2.341 1.890 3.358 . 0 0 "[ . 1 . 2]" 1
35 1 14 THR HA 1 14 THR HB . . 2.700 2.446 2.285 2.567 . 0 0 "[ . 1 . 2]" 1
36 1 14 THR HA 1 14 THR MG . . 3.480 2.742 2.114 3.205 . 0 0 "[ . 1 . 2]" 1
37 1 15 ARG QB 1 15 ARG QD . . 3.330 2.181 2.066 2.711 . 0 0 "[ . 1 . 2]" 1
38 1 16 THR H 1 16 THR MG . . 4.800 2.890 1.982 3.986 . 0 0 "[ . 1 . 2]" 1
39 1 16 THR HA 1 16 THR MG . . 3.540 2.549 2.184 3.200 . 0 0 "[ . 1 . 2]" 1
40 1 18 ARG H 1 18 ARG QG . . 4.080 3.260 2.022 4.068 . 0 0 "[ . 1 . 2]" 1
41 1 18 ARG HA 1 18 ARG QD . . 4.460 3.406 2.059 4.459 . 0 0 "[ . 1 . 2]" 1
42 1 18 ARG HA 1 18 ARG QG . . 3.780 2.654 2.202 3.446 . 0 0 "[ . 1 . 2]" 1
43 1 18 ARG HA 1 19 ALA H . . 3.260 2.320 2.140 3.200 . 0 0 "[ . 1 . 2]" 1
44 1 18 ARG HB2 1 19 ALA H . . 5.370 3.969 2.276 4.577 . 0 0 "[ . 1 . 2]" 1
45 1 18 ARG HB3 1 19 ALA H . . 5.370 3.815 2.435 4.461 . 0 0 "[ . 1 . 2]" 1
46 1 19 ALA H 1 19 ALA MB . . 3.430 2.481 2.086 2.900 . 0 0 "[ . 1 . 2]" 1
47 1 19 ALA HA 1 20 PRO HD2 . . 3.240 2.293 2.206 2.550 . 0 0 "[ . 1 . 2]" 1
48 1 19 ALA HA 1 20 PRO HD3 . . 3.240 2.271 2.254 2.369 . 0 0 "[ . 1 . 2]" 1
49 1 19 ALA HA 1 20 PRO HG2 . . 5.260 4.426 4.357 4.635 . 0 0 "[ . 1 . 2]" 1
50 1 19 ALA HA 1 20 PRO QG . . 4.500 3.938 3.888 4.099 . 0 0 "[ . 1 . 2]" 1
51 1 19 ALA HA 1 20 PRO HG3 . . 5.260 4.415 4.371 4.568 . 0 0 "[ . 1 . 2]" 1
52 1 19 ALA MB 1 20 PRO HD2 . . 3.970 2.218 1.934 2.403 . 0 0 "[ . 1 . 2]" 1
53 1 19 ALA MB 1 20 PRO QD . . 3.300 2.190 1.916 2.364 . 0 0 "[ . 1 . 2]" 1
54 1 19 ALA MB 1 20 PRO HD3 . . 3.970 3.389 3.102 3.528 . 0 0 "[ . 1 . 2]" 1
55 1 20 PRO HA 1 21 SER H . . 3.350 2.541 2.152 3.350 . 0 0 "[ . 1 . 2]" 1
56 1 20 PRO QG 1 21 SER H . . 4.930 4.168 3.114 4.754 . 0 0 "[ . 1 . 2]" 1
57 1 21 SER H 1 21 SER QB . . 3.900 2.813 2.179 3.366 . 0 0 "[ . 1 . 2]" 1
58 1 21 SER H 1 22 VAL H . . 4.390 4.044 2.507 4.388 . 0 0 "[ . 1 . 2]" 1
59 1 21 SER HA 1 22 VAL H . . 2.930 2.289 2.139 2.881 . 0 0 "[ . 1 . 2]" 1
60 1 21 SER QB 1 22 VAL H . . 3.820 3.323 2.832 3.827 0.007 15 0 "[ . 1 . 2]" 1
61 1 21 SER QB 1 22 VAL MG1 . . 5.500 4.851 3.720 5.488 . 0 0 "[ . 1 . 2]" 1
62 1 21 SER QB 1 22 VAL MG2 . . 5.500 4.622 3.945 5.436 . 0 0 "[ . 1 . 2]" 1
63 1 22 VAL H 1 22 VAL HB . . 3.710 3.292 2.526 3.711 0.001 1 0 "[ . 1 . 2]" 1
64 1 22 VAL H 1 22 VAL MG1 . . 3.920 2.796 1.893 3.921 0.001 17 0 "[ . 1 . 2]" 1
65 1 22 VAL H 1 22 VAL QG . . 3.100 2.093 1.847 2.861 . 0 0 "[ . 1 . 2]" 1
66 1 22 VAL H 1 22 VAL MG2 . . 3.920 2.355 1.899 3.774 . 0 0 "[ . 1 . 2]" 1
67 1 22 VAL H 1 23 ALA H . . 4.580 4.415 2.840 4.614 0.034 13 0 "[ . 1 . 2]" 1
68 1 22 VAL HA 1 22 VAL MG1 . . 3.550 2.403 2.113 3.204 . 0 0 "[ . 1 . 2]" 1
69 1 22 VAL HA 1 22 VAL QG . . 3.100 2.219 2.053 2.349 . 0 0 "[ . 1 . 2]" 1
70 1 22 VAL HA 1 22 VAL MG2 . . 3.550 2.900 2.309 3.203 . 0 0 "[ . 1 . 2]" 1
71 1 22 VAL HA 1 23 ALA H . . 2.980 2.286 2.141 2.804 . 0 0 "[ . 1 . 2]" 1
72 1 22 VAL HB 1 23 ALA H . . 4.300 3.263 2.024 4.303 0.003 17 0 "[ . 1 . 2]" 1
73 1 22 VAL QG 1 23 ALA H . . 3.980 3.088 2.160 3.714 . 0 0 "[ . 1 . 2]" 1
74 1 22 VAL MG1 1 23 ALA H . . 4.840 3.550 2.170 4.070 . 0 0 "[ . 1 . 2]" 1
75 1 22 VAL MG2 1 23 ALA H . . 4.840 3.677 2.300 4.324 . 0 0 "[ . 1 . 2]" 1
76 1 23 ALA H 1 23 ALA MB . . 3.260 2.529 2.067 2.885 . 0 0 "[ . 1 . 2]" 1
77 1 23 ALA HA 1 24 THR H . . 3.050 2.231 2.142 2.465 . 0 0 "[ . 1 . 2]" 1
78 1 23 ALA HA 1 99 VAL MG1 . . 4.380 4.153 3.794 4.359 . 0 0 "[ . 1 . 2]" 1
79 1 23 ALA MB 1 24 THR H . . 3.730 2.886 2.255 3.349 . 0 0 "[ . 1 . 2]" 1
80 1 23 ALA MB 1 97 PHE QD . . 4.540 2.392 2.039 3.004 . 0 0 "[ . 1 . 2]" 1
81 1 23 ALA MB 1 97 PHE QE . . 3.710 2.571 2.155 3.130 . 0 0 "[ . 1 . 2]" 1
82 1 23 ALA MB 1 97 PHE HZ . . 4.440 4.305 3.735 4.443 0.003 7 0 "[ . 1 . 2]" 1
83 1 23 ALA MB 1 99 VAL HA . . 3.650 2.540 2.073 3.087 . 0 0 "[ . 1 . 2]" 1
84 1 23 ALA MB 1 99 VAL MG2 . . 3.480 2.389 1.826 3.062 . 0 0 "[ . 1 . 2]" 1
85 1 23 ALA MB 1 100 GLY H . . 4.340 3.829 2.733 4.317 . 0 0 "[ . 1 . 2]" 1
86 1 24 THR H 1 24 THR HB . . 3.900 2.974 2.611 3.552 . 0 0 "[ . 1 . 2]" 1
87 1 24 THR H 1 24 THR MG . . 3.920 2.902 1.983 3.925 0.005 11 0 "[ . 1 . 2]" 1
88 1 24 THR H 1 25 VAL H . . 4.910 4.491 4.417 4.576 . 0 0 "[ . 1 . 2]" 1
89 1 24 THR H 1 73 PRO HG2 . . 4.920 4.129 3.555 4.707 . 0 0 "[ . 1 . 2]" 1
90 1 24 THR H 1 99 VAL MG1 . . 4.500 3.297 2.642 3.654 . 0 0 "[ . 1 . 2]" 1
91 1 24 THR HA 1 24 THR MG . . 3.370 2.757 2.048 3.203 . 0 0 "[ . 1 . 2]" 1
92 1 24 THR HA 1 25 VAL H . . 3.090 2.424 2.198 2.628 . 0 0 "[ . 1 . 2]" 1
93 1 24 THR HA 1 25 VAL MG1 . . 3.850 3.733 3.509 3.842 . 0 0 "[ . 1 . 2]" 1
94 1 24 THR HA 1 99 VAL MG1 . . 3.690 2.623 1.936 3.274 . 0 0 "[ . 1 . 2]" 1
95 1 24 THR HA 1 100 GLY H . . 3.780 3.021 2.362 3.663 . 0 0 "[ . 1 . 2]" 1
96 1 24 THR HB 1 25 VAL H . . 3.830 3.569 3.338 3.750 . 0 0 "[ . 1 . 2]" 1
97 1 24 THR HB 1 99 VAL MG1 . . 5.010 4.426 3.843 4.874 . 0 0 "[ . 1 . 2]" 1
98 1 24 THR MG 1 25 VAL H . . 3.900 2.725 1.774 3.778 . 0 0 "[ . 1 . 2]" 1
99 1 24 THR MG 1 27 SER H . . 4.700 4.157 3.490 4.631 . 0 0 "[ . 1 . 2]" 1
100 1 24 THR MG 1 27 SER HB2 . . 4.600 2.945 2.032 3.863 . 0 0 "[ . 1 . 2]" 1
101 1 24 THR MG 1 27 SER QB . . 4.040 2.497 1.965 3.539 . 0 0 "[ . 1 . 2]" 1
102 1 24 THR MG 1 27 SER HB3 . . 4.600 3.015 2.102 4.251 . 0 0 "[ . 1 . 2]" 1
103 1 24 THR MG 1 100 GLY H . . 5.340 5.045 4.487 5.337 . 0 0 "[ . 1 . 2]" 1
104 1 25 VAL H 1 25 VAL HB . . 3.300 3.052 2.767 3.234 . 0 0 "[ . 1 . 2]" 1
105 1 25 VAL H 1 25 VAL MG1 . . 3.180 1.959 1.891 2.246 . 0 0 "[ . 1 . 2]" 1
106 1 25 VAL H 1 25 VAL MG2 . . 4.390 3.834 3.719 3.912 . 0 0 "[ . 1 . 2]" 1
107 1 25 VAL H 1 26 GLY H . . 5.230 4.460 4.387 4.554 . 0 0 "[ . 1 . 2]" 1
108 1 25 VAL H 1 99 VAL MG1 . . 3.710 2.964 2.563 3.534 . 0 0 "[ . 1 . 2]" 1
109 1 25 VAL H 1 100 GLY H . . 5.010 4.217 3.795 4.696 . 0 0 "[ . 1 . 2]" 1
110 1 25 VAL HA 1 25 VAL MG1 . . 3.560 3.196 3.173 3.204 . 0 0 "[ . 1 . 2]" 1
111 1 25 VAL HA 1 25 VAL MG2 . . 3.460 2.370 2.269 2.502 . 0 0 "[ . 1 . 2]" 1
112 1 25 VAL HA 1 26 GLY H . . 3.080 2.212 2.146 2.341 . 0 0 "[ . 1 . 2]" 1
113 1 25 VAL HA 1 27 SER H . . 4.360 3.743 3.421 4.032 . 0 0 "[ . 1 . 2]" 1
114 1 25 VAL HA 1 73 PRO HG2 . . 3.710 3.367 2.946 3.533 . 0 0 "[ . 1 . 2]" 1
115 1 25 VAL HA 1 73 PRO HG3 . . 5.270 5.118 4.671 5.275 0.005 15 0 "[ . 1 . 2]" 1
116 1 25 VAL HA 1 99 VAL MG1 . . 4.100 2.565 2.182 2.940 . 0 0 "[ . 1 . 2]" 1
117 1 25 VAL HB 1 26 GLY H . . 4.370 4.045 3.761 4.293 . 0 0 "[ . 1 . 2]" 1
118 1 25 VAL HB 1 74 GLN HA . . 5.500 4.084 3.271 4.516 . 0 0 "[ . 1 . 2]" 1
119 1 25 VAL MG1 1 26 GLY QA . . 4.910 3.727 3.521 4.027 . 0 0 "[ . 1 . 2]" 1
120 1 25 VAL MG1 1 100 GLY H . . 4.690 4.126 3.503 4.498 . 0 0 "[ . 1 . 2]" 1
121 1 25 VAL MG1 1 100 GLY HA2 . . 4.810 4.277 3.582 4.813 0.003 5 0 "[ . 1 . 2]" 1
122 1 25 VAL MG1 1 101 PRO HA . . 4.080 2.130 1.801 2.648 . 0 0 "[ . 1 . 2]" 1
123 1 25 VAL MG1 1 102 LEU H . . 3.840 3.509 2.954 3.811 . 0 0 "[ . 1 . 2]" 1
124 1 25 VAL MG2 1 26 GLY H . . 3.470 2.228 1.893 2.520 . 0 0 "[ . 1 . 2]" 1
125 1 25 VAL MG2 1 26 GLY QA . . 4.250 2.971 2.732 3.184 . 0 0 "[ . 1 . 2]" 1
126 1 25 VAL MG2 1 27 SER H . . 4.810 4.416 4.191 4.624 . 0 0 "[ . 1 . 2]" 1
127 1 25 VAL MG2 1 74 GLN HA . . 3.400 2.287 1.924 2.565 . 0 0 "[ . 1 . 2]" 1
128 1 25 VAL MG2 1 75 GLU H . . 3.960 3.253 2.739 3.874 . 0 0 "[ . 1 . 2]" 1
129 1 26 GLY H 1 27 SER H . . 3.440 2.574 2.193 2.867 . 0 0 "[ . 1 . 2]" 1
130 1 26 GLY H 1 72 VAL MG1 . . 3.920 2.627 2.353 2.880 . 0 0 "[ . 1 . 2]" 1
131 1 26 GLY H 1 73 PRO HD2 . . 4.890 4.352 4.078 4.675 . 0 0 "[ . 1 . 2]" 1
132 1 26 GLY H 1 73 PRO HG2 . . 5.220 4.412 3.967 5.071 . 0 0 "[ . 1 . 2]" 1
133 1 26 GLY QA 1 72 VAL MG1 . . 3.310 2.335 1.844 2.522 . 0 0 "[ . 1 . 2]" 1
134 1 26 GLY HA2 1 72 VAL MG1 . . 3.920 2.361 1.857 2.554 . 0 0 "[ . 1 . 2]" 1
135 1 26 GLY HA3 1 72 VAL MG1 . . 3.920 3.705 3.145 3.918 . 0 0 "[ . 1 . 2]" 1
136 1 27 SER H 1 27 SER HB2 . . 3.980 3.226 2.674 3.986 0.006 15 0 "[ . 1 . 2]" 1
137 1 27 SER H 1 27 SER QB . . 3.220 2.875 2.616 3.185 . 0 0 "[ . 1 . 2]" 1
138 1 27 SER H 1 27 SER HB3 . . 3.980 3.452 2.882 3.928 . 0 0 "[ . 1 . 2]" 1
139 1 27 SER H 1 28 ILE H . . 4.690 4.274 4.107 4.411 . 0 0 "[ . 1 . 2]" 1
140 1 27 SER H 1 72 VAL HA . . 4.030 3.490 3.109 3.690 . 0 0 "[ . 1 . 2]" 1
141 1 27 SER H 1 72 VAL HB . . 5.230 4.919 4.415 5.219 . 0 0 "[ . 1 . 2]" 1
142 1 27 SER H 1 72 VAL MG1 . . 3.860 2.125 1.725 2.483 . 0 0 "[ . 1 . 2]" 1
143 1 27 SER H 1 73 PRO HD2 . . 4.070 3.488 3.128 3.866 . 0 0 "[ . 1 . 2]" 1
144 1 27 SER H 1 73 PRO HG2 . . 5.490 4.591 4.240 5.273 . 0 0 "[ . 1 . 2]" 1
145 1 27 SER HA 1 28 ILE H . . 3.240 2.280 2.171 2.513 . 0 0 "[ . 1 . 2]" 1
146 1 27 SER HA 1 28 ILE HB . . 5.090 4.750 4.657 4.886 . 0 0 "[ . 1 . 2]" 1
147 1 27 SER HA 1 28 ILE QG . . 5.010 3.671 3.544 3.839 . 0 0 "[ . 1 . 2]" 1
148 1 27 SER QB 1 28 ILE H . . 3.440 3.129 2.438 3.440 0.000 20 0 "[ . 1 . 2]" 1
149 1 27 SER HB2 1 28 ILE H . . 4.320 3.946 2.466 4.317 . 0 0 "[ . 1 . 2]" 1
150 1 27 SER HB3 1 28 ILE H . . 4.320 3.430 2.962 4.059 . 0 0 "[ . 1 . 2]" 1
151 1 28 ILE H 1 28 ILE HB . . 3.150 2.498 2.352 2.608 . 0 0 "[ . 1 . 2]" 1
152 1 28 ILE H 1 28 ILE MD . . 4.200 3.534 3.130 3.751 . 0 0 "[ . 1 . 2]" 1
153 1 28 ILE H 1 28 ILE HG12 . . 4.030 3.520 3.099 3.883 . 0 0 "[ . 1 . 2]" 1
154 1 28 ILE H 1 28 ILE QG . . 3.410 2.195 1.952 2.559 . 0 0 "[ . 1 . 2]" 1
155 1 28 ILE H 1 28 ILE HG13 . . 4.030 2.218 1.962 2.595 . 0 0 "[ . 1 . 2]" 1
156 1 28 ILE H 1 28 ILE MG . . 4.030 3.757 3.716 3.778 . 0 0 "[ . 1 . 2]" 1
157 1 28 ILE H 1 29 CYS H . . 5.170 4.289 4.124 4.551 . 0 0 "[ . 1 . 2]" 1
158 1 28 ILE H 1 72 VAL MG2 . . 4.430 3.606 2.438 4.221 . 0 0 "[ . 1 . 2]" 1
159 1 28 ILE HA 1 28 ILE MD . . 4.080 3.831 3.754 3.907 . 0 0 "[ . 1 . 2]" 1
160 1 28 ILE HA 1 28 ILE HG12 . . 4.020 2.559 2.401 2.798 . 0 0 "[ . 1 . 2]" 1
161 1 28 ILE HA 1 28 ILE QG . . 3.530 2.397 2.301 2.495 . 0 0 "[ . 1 . 2]" 1
162 1 28 ILE HA 1 28 ILE HG13 . . 4.020 2.916 2.721 3.147 . 0 0 "[ . 1 . 2]" 1
163 1 28 ILE HA 1 28 ILE MG . . 3.520 2.405 2.285 2.485 . 0 0 "[ . 1 . 2]" 1
164 1 28 ILE HA 1 29 CYS H . . 3.120 2.190 2.143 2.270 . 0 0 "[ . 1 . 2]" 1
165 1 28 ILE HA 1 71 PHE H . . 4.890 3.750 3.510 3.902 . 0 0 "[ . 1 . 2]" 1
166 1 28 ILE HA 1 72 VAL HA . . 4.050 3.196 2.698 3.513 . 0 0 "[ . 1 . 2]" 1
167 1 28 ILE HA 1 72 VAL MG1 . . 4.400 4.113 3.738 4.374 . 0 0 "[ . 1 . 2]" 1
168 1 28 ILE HA 1 72 VAL MG2 . . 3.230 2.624 2.268 2.893 . 0 0 "[ . 1 . 2]" 1
169 1 28 ILE HA 1 73 PRO HD3 . . 4.960 4.484 3.915 4.806 . 0 0 "[ . 1 . 2]" 1
170 1 28 ILE HB 1 28 ILE MD . . 3.270 2.381 2.256 2.528 . 0 0 "[ . 1 . 2]" 1
171 1 28 ILE HB 1 29 CYS H . . 4.520 4.426 4.192 4.497 . 0 0 "[ . 1 . 2]" 1
172 1 28 ILE MD 1 29 CYS H . . 5.500 5.425 5.146 5.500 0.000 8 0 "[ . 1 . 2]" 1
173 1 28 ILE MD 1 70 ARG QD . . 4.170 3.865 3.299 4.165 . 0 0 "[ . 1 . 2]" 1
174 1 28 ILE QG 1 28 ILE MG . . 2.960 2.262 2.139 2.362 . 0 0 "[ . 1 . 2]" 1
175 1 28 ILE QG 1 29 CYS H . . 4.750 4.274 3.964 4.395 . 0 0 "[ . 1 . 2]" 1
176 1 28 ILE QG 1 72 VAL MG2 . . 3.690 2.557 1.993 2.938 . 0 0 "[ . 1 . 2]" 1
177 1 28 ILE HG12 1 28 ILE MG . . 3.480 2.315 2.174 2.432 . 0 0 "[ . 1 . 2]" 1
178 1 28 ILE HG13 1 28 ILE MG . . 3.480 3.188 3.162 3.202 . 0 0 "[ . 1 . 2]" 1
179 1 28 ILE MG 1 29 CYS H . . 4.000 3.103 2.340 3.376 . 0 0 "[ . 1 . 2]" 1
180 1 28 ILE MG 1 70 ARG H . . 5.120 4.949 4.591 5.119 . 0 0 "[ . 1 . 2]" 1
181 1 28 ILE MG 1 70 ARG HA . . 4.760 3.137 2.794 3.538 . 0 0 "[ . 1 . 2]" 1
182 1 28 ILE MG 1 70 ARG HB2 . . 4.570 2.598 1.879 3.794 . 0 0 "[ . 1 . 2]" 1
183 1 28 ILE MG 1 70 ARG QB . . 3.970 2.030 1.863 2.323 . 0 0 "[ . 1 . 2]" 1
184 1 28 ILE MG 1 70 ARG HB3 . . 4.570 2.716 1.907 3.270 . 0 0 "[ . 1 . 2]" 1
185 1 28 ILE MG 1 70 ARG QD . . 3.590 2.992 2.382 3.447 . 0 0 "[ . 1 . 2]" 1
186 1 28 ILE MG 1 70 ARG QG . . 4.220 3.254 2.522 3.772 . 0 0 "[ . 1 . 2]" 1
187 1 28 ILE MG 1 71 PHE H . . 4.210 3.011 2.472 3.343 . 0 0 "[ . 1 . 2]" 1
188 1 29 CYS H 1 29 CYS HB2 . . 4.080 2.795 2.222 3.743 . 0 0 "[ . 1 . 2]" 1
189 1 29 CYS H 1 29 CYS HB3 . . 4.080 2.740 2.386 3.528 . 0 0 "[ . 1 . 2]" 1
190 1 29 CYS H 1 30 ASP H . . 4.890 4.439 4.269 4.570 . 0 0 "[ . 1 . 2]" 1
191 1 29 CYS H 1 72 VAL MG2 . . 4.130 4.007 3.677 4.132 0.002 4 0 "[ . 1 . 2]" 1
192 1 29 CYS H 1 73 PRO HD3 . . 5.100 3.121 2.716 3.578 . 0 0 "[ . 1 . 2]" 1
193 1 29 CYS HA 1 30 ASP H . . 3.150 2.159 2.138 2.253 . 0 0 "[ . 1 . 2]" 1
194 1 29 CYS QB 1 30 ASP H . . 4.350 3.589 2.789 3.937 . 0 0 "[ . 1 . 2]" 1
195 1 29 CYS QB 1 71 PHE H . . 5.340 4.053 3.610 4.893 . 0 0 "[ . 1 . 2]" 1
196 1 29 CYS QB 1 73 PRO HD2 . . 4.570 2.925 2.464 3.817 . 0 0 "[ . 1 . 2]" 1
197 1 29 CYS QB 1 73 PRO HD3 . . 4.280 2.827 1.999 4.089 . 0 0 "[ . 1 . 2]" 1
198 1 29 CYS HB2 1 30 ASP H . . 4.990 4.131 2.844 4.470 . 0 0 "[ . 1 . 2]" 1
199 1 29 CYS HB3 1 30 ASP H . . 4.990 4.088 3.496 4.415 . 0 0 "[ . 1 . 2]" 1
200 1 30 ASP H 1 30 ASP HB2 . . 3.830 3.136 2.421 3.622 . 0 0 "[ . 1 . 2]" 1
201 1 30 ASP H 1 30 ASP QB . . 3.350 2.677 2.263 2.990 . 0 0 "[ . 1 . 2]" 1
202 1 30 ASP H 1 30 ASP HB3 . . 3.830 3.207 2.538 3.682 . 0 0 "[ . 1 . 2]" 1
203 1 30 ASP H 1 31 LEU H . . 4.920 4.418 4.219 4.548 . 0 0 "[ . 1 . 2]" 1
204 1 30 ASP HA 1 31 LEU H . . 2.880 2.148 2.139 2.179 . 0 0 "[ . 1 . 2]" 1
205 1 30 ASP HA 1 31 LEU QB . . 5.010 4.067 3.995 4.126 . 0 0 "[ . 1 . 2]" 1
206 1 30 ASP HA 1 70 ARG H . . 5.210 4.907 4.454 5.111 . 0 0 "[ . 1 . 2]" 1
207 1 30 ASP HA 1 70 ARG HA . . 3.670 2.765 2.381 2.957 . 0 0 "[ . 1 . 2]" 1
208 1 30 ASP HA 1 70 ARG QG . . 5.340 4.226 2.228 5.341 0.001 13 0 "[ . 1 . 2]" 1
209 1 30 ASP HA 1 71 PHE H . . 4.540 4.199 3.843 4.526 . 0 0 "[ . 1 . 2]" 1
210 1 30 ASP QB 1 31 LEU H . . 3.780 3.366 3.030 3.739 . 0 0 "[ . 1 . 2]" 1
211 1 30 ASP HB2 1 31 LEU H . . 4.320 3.847 3.387 4.321 0.001 5 0 "[ . 1 . 2]" 1
212 1 30 ASP HB3 1 31 LEU H . . 4.320 3.911 3.141 4.318 . 0 0 "[ . 1 . 2]" 1
213 1 31 LEU H 1 31 LEU HB2 . . 3.790 2.795 2.625 3.062 . 0 0 "[ . 1 . 2]" 1
214 1 31 LEU H 1 31 LEU QB . . 3.330 2.376 2.275 2.498 . 0 0 "[ . 1 . 2]" 1
215 1 31 LEU H 1 31 LEU HB3 . . 3.790 2.577 2.428 2.647 . 0 0 "[ . 1 . 2]" 1
216 1 31 LEU H 1 31 LEU MD1 . . 5.010 4.218 4.094 4.360 . 0 0 "[ . 1 . 2]" 1
217 1 31 LEU H 1 31 LEU MD2 . . 4.990 4.331 4.198 4.445 . 0 0 "[ . 1 . 2]" 1
218 1 31 LEU H 1 31 LEU HG . . 4.520 4.497 4.414 4.523 0.003 4 0 "[ . 1 . 2]" 1
219 1 31 LEU H 1 32 ASN H . . 4.810 4.133 3.922 4.291 . 0 0 "[ . 1 . 2]" 1
220 1 31 LEU H 1 69 VAL HB . . 4.140 3.471 2.950 3.975 . 0 0 "[ . 1 . 2]" 1
221 1 31 LEU H 1 69 VAL MG1 . . 4.660 4.114 3.404 4.607 . 0 0 "[ . 1 . 2]" 1
222 1 31 LEU H 1 70 ARG HA . . 4.350 3.564 3.036 4.013 . 0 0 "[ . 1 . 2]" 1
223 1 31 LEU H 1 71 PHE H . . 5.420 4.843 4.594 5.140 . 0 0 "[ . 1 . 2]" 1
224 1 31 LEU HA 1 31 LEU MD1 . . 3.930 2.201 1.990 2.455 . 0 0 "[ . 1 . 2]" 1
225 1 31 LEU HA 1 31 LEU MD2 . . 4.050 3.902 3.869 3.936 . 0 0 "[ . 1 . 2]" 1
226 1 31 LEU HA 1 32 ASN H . . 2.980 2.187 2.144 2.209 . 0 0 "[ . 1 . 2]" 1
227 1 31 LEU QB 1 32 ASN H . . 4.210 3.954 3.876 3.982 . 0 0 "[ . 1 . 2]" 1
228 1 31 LEU QB 1 33 LEU MD1 . . 4.300 3.460 3.119 3.767 . 0 0 "[ . 1 . 2]" 1
229 1 31 LEU QB 1 69 VAL H . . 4.700 3.115 2.768 3.482 . 0 0 "[ . 1 . 2]" 1
230 1 31 LEU QB 1 69 VAL HB . . 3.330 2.136 2.019 2.326 . 0 0 "[ . 1 . 2]" 1
231 1 31 LEU QB 1 69 VAL MG1 . . 3.690 3.222 2.639 3.506 . 0 0 "[ . 1 . 2]" 1
232 1 31 LEU HB2 1 32 ASN H . . 5.030 4.501 4.385 4.556 . 0 0 "[ . 1 . 2]" 1
233 1 31 LEU HB2 1 33 LEU MD1 . . 5.020 4.736 4.419 4.977 . 0 0 "[ . 1 . 2]" 1
234 1 31 LEU HB2 1 69 VAL HB . . 3.850 3.612 3.305 3.830 . 0 0 "[ . 1 . 2]" 1
235 1 31 LEU HB2 1 69 VAL MG1 . . 4.530 4.081 3.574 4.438 . 0 0 "[ . 1 . 2]" 1
236 1 31 LEU HB3 1 32 ASN H . . 5.030 4.382 4.318 4.451 . 0 0 "[ . 1 . 2]" 1
237 1 31 LEU HB3 1 33 LEU MD1 . . 5.020 3.558 3.188 3.910 . 0 0 "[ . 1 . 2]" 1
238 1 31 LEU HB3 1 69 VAL HB . . 3.850 2.152 2.035 2.347 . 0 0 "[ . 1 . 2]" 1
239 1 31 LEU HB3 1 69 VAL MG1 . . 4.530 3.377 2.717 3.674 . 0 0 "[ . 1 . 2]" 1
240 1 31 LEU MD1 1 32 ASN H . . 4.370 3.486 3.182 3.820 . 0 0 "[ . 1 . 2]" 1
241 1 31 LEU MD1 1 69 VAL HB . . 4.930 4.824 4.668 4.937 0.007 18 0 "[ . 1 . 2]" 1
242 1 31 LEU MD1 1 95 PHE HB2 . . 5.120 4.766 4.409 5.089 . 0 0 "[ . 1 . 2]" 1
243 1 31 LEU MD1 1 95 PHE QB . . 4.390 4.214 3.823 4.383 . 0 0 "[ . 1 . 2]" 1
244 1 31 LEU MD1 1 95 PHE HB3 . . 5.120 4.714 4.192 5.008 . 0 0 "[ . 1 . 2]" 1
245 1 31 LEU MD1 1 97 PHE QD . . 4.710 4.435 4.029 4.715 0.005 15 0 "[ . 1 . 2]" 1
246 1 31 LEU MD1 1 97 PHE QE . . 4.650 4.388 3.661 4.647 . 0 0 "[ . 1 . 2]" 1
247 1 31 LEU MD2 1 33 LEU MD1 . . 3.570 2.132 1.879 2.623 . 0 0 "[ . 1 . 2]" 1
248 1 31 LEU MD2 1 33 LEU MD2 . . 3.810 2.720 1.948 3.398 . 0 0 "[ . 1 . 2]" 1
249 1 31 LEU MD2 1 95 PHE QB . . 4.240 3.867 3.336 4.200 . 0 0 "[ . 1 . 2]" 1
250 1 31 LEU MD2 1 95 PHE QD . . 4.280 4.028 3.608 4.255 . 0 0 "[ . 1 . 2]" 1
251 1 31 LEU MD2 1 95 PHE QE . . 4.990 4.688 4.263 4.992 0.002 18 0 "[ . 1 . 2]" 1
252 1 31 LEU MD2 1 97 PHE QD . . 5.110 4.966 4.561 5.112 0.002 15 0 "[ . 1 . 2]" 1
253 1 31 LEU MD2 1 97 PHE QE . . 4.530 4.377 3.632 4.534 0.004 18 0 "[ . 1 . 2]" 1
254 1 31 LEU HG 1 32 ASN H . . 5.170 3.667 3.234 3.886 . 0 0 "[ . 1 . 2]" 1
255 1 31 LEU HG 1 33 LEU MD1 . . 4.220 2.944 2.643 3.513 . 0 0 "[ . 1 . 2]" 1
256 1 31 LEU HG 1 69 VAL HB . . 4.500 4.243 3.707 4.462 . 0 0 "[ . 1 . 2]" 1
257 1 32 ASN H 1 32 ASN HB2 . . 3.620 3.000 2.192 3.618 . 0 0 "[ . 1 . 2]" 1
258 1 32 ASN H 1 32 ASN QB . . 3.060 2.474 2.161 2.903 . 0 0 "[ . 1 . 2]" 1
259 1 32 ASN H 1 32 ASN HB3 . . 3.620 2.927 2.209 3.623 0.003 18 0 "[ . 1 . 2]" 1
260 1 32 ASN H 1 32 ASN QD . . 4.620 3.785 2.194 4.603 . 0 0 "[ . 1 . 2]" 1
261 1 32 ASN H 1 33 LEU H . . 5.180 4.460 4.299 4.554 . 0 0 "[ . 1 . 2]" 1
262 1 32 ASN HA 1 68 CYS HA . . 3.500 2.910 2.659 3.336 . 0 0 "[ . 1 . 2]" 1
263 1 32 ASN HA 1 68 CYS HB3 . . 5.500 5.401 4.875 5.503 0.003 15 0 "[ . 1 . 2]" 1
264 1 32 ASN HB2 1 33 LEU H . . 4.840 3.931 3.234 4.435 . 0 0 "[ . 1 . 2]" 1
265 1 32 ASN HB3 1 33 LEU H . . 4.840 4.006 3.228 4.539 . 0 0 "[ . 1 . 2]" 1
266 1 33 LEU H 1 33 LEU MD1 . . 4.750 3.766 3.595 3.991 . 0 0 "[ . 1 . 2]" 1
267 1 33 LEU H 1 33 LEU HG . . 4.730 3.091 2.731 3.452 . 0 0 "[ . 1 . 2]" 1
268 1 33 LEU H 1 34 LYS H . . 5.500 4.385 4.214 4.484 . 0 0 "[ . 1 . 2]" 1
269 1 33 LEU H 1 67 HIS H . . 4.630 3.917 3.291 4.301 . 0 0 "[ . 1 . 2]" 1
270 1 33 LEU H 1 68 CYS HA . . 4.240 3.601 2.735 3.898 . 0 0 "[ . 1 . 2]" 1
271 1 33 LEU HA 1 33 LEU MD2 . . 3.630 2.418 2.211 2.609 . 0 0 "[ . 1 . 2]" 1
272 1 33 LEU HA 1 34 LYS H . . 3.100 2.216 2.139 2.486 . 0 0 "[ . 1 . 2]" 1
273 1 33 LEU QB 1 33 LEU MD2 . . 3.260 2.111 2.003 2.240 . 0 0 "[ . 1 . 2]" 1
274 1 33 LEU QB 1 34 LYS H . . 3.920 2.933 2.202 3.319 . 0 0 "[ . 1 . 2]" 1
275 1 33 LEU QB 1 67 HIS H . . 5.340 4.558 4.184 4.973 . 0 0 "[ . 1 . 2]" 1
276 1 33 LEU QB 1 67 HIS HB2 . . 4.110 3.643 3.014 3.967 . 0 0 "[ . 1 . 2]" 1
277 1 33 LEU QB 1 67 HIS HB3 . . 4.990 4.649 3.681 4.961 . 0 0 "[ . 1 . 2]" 1
278 1 33 LEU HB2 1 33 LEU MD1 . . 3.390 2.069 1.988 2.243 . 0 0 "[ . 1 . 2]" 1
279 1 33 LEU HB3 1 33 LEU MD1 . . 3.390 2.612 2.524 2.681 . 0 0 "[ . 1 . 2]" 1
280 1 33 LEU MD1 1 67 HIS HB2 . . 4.640 4.357 3.725 4.641 0.001 15 0 "[ . 1 . 2]" 1
281 1 33 LEU MD1 1 68 CYS HA . . 5.330 4.809 4.175 5.282 . 0 0 "[ . 1 . 2]" 1
282 1 33 LEU MD1 1 69 VAL H . . 5.070 4.236 3.468 4.973 . 0 0 "[ . 1 . 2]" 1
283 1 33 LEU MD1 1 69 VAL HB . . 4.700 3.579 2.942 4.429 . 0 0 "[ . 1 . 2]" 1
284 1 33 LEU MD1 1 83 VAL MG2 . . 3.490 2.748 2.133 3.277 . 0 0 "[ . 1 . 2]" 1
285 1 33 LEU MD1 1 95 PHE HZ . . 5.500 4.626 3.992 5.070 . 0 0 "[ . 1 . 2]" 1
286 1 33 LEU MD2 1 34 LYS H . . 4.420 3.505 2.876 4.037 . 0 0 "[ . 1 . 2]" 1
287 1 33 LEU MD2 1 83 VAL MG2 . . 4.010 3.647 2.927 3.970 . 0 0 "[ . 1 . 2]" 1
288 1 33 LEU MD2 1 95 PHE QB . . 5.340 4.400 3.927 4.857 . 0 0 "[ . 1 . 2]" 1
289 1 33 LEU MD2 1 95 PHE QD . . 4.270 3.843 3.184 4.250 . 0 0 "[ . 1 . 2]" 1
290 1 33 LEU MD2 1 95 PHE QE . . 4.080 3.194 2.710 3.606 . 0 0 "[ . 1 . 2]" 1
291 1 33 LEU MD2 1 95 PHE HZ . . 4.910 3.340 2.610 3.826 . 0 0 "[ . 1 . 2]" 1
292 1 34 LYS H 1 34 LYS HB2 . . 3.790 2.803 2.203 3.661 . 0 0 "[ . 1 . 2]" 1
293 1 34 LYS H 1 34 LYS QB . . 3.320 2.452 2.181 2.977 . 0 0 "[ . 1 . 2]" 1
294 1 34 LYS H 1 34 LYS HB3 . . 3.790 3.161 2.385 3.726 . 0 0 "[ . 1 . 2]" 1
295 1 34 LYS H 1 34 LYS HG2 . . 4.570 3.075 1.907 4.568 . 0 0 "[ . 1 . 2]" 1
296 1 34 LYS H 1 34 LYS QG . . 4.020 2.705 1.872 3.965 . 0 0 "[ . 1 . 2]" 1
297 1 34 LYS H 1 34 LYS HG3 . . 4.570 3.536 2.318 4.356 . 0 0 "[ . 1 . 2]" 1
298 1 34 LYS HA 1 34 LYS QD . . 4.430 3.402 2.060 4.429 . 0 0 "[ . 1 . 2]" 1
299 1 34 LYS QB 1 35 ILE HA . . 5.340 4.462 4.190 4.756 . 0 0 "[ . 1 . 2]" 1
300 1 35 ILE H 1 35 ILE HB . . 4.210 2.567 2.483 2.742 . 0 0 "[ . 1 . 2]" 1
301 1 35 ILE H 1 35 ILE HG12 . . 5.020 4.004 3.465 4.310 . 0 0 "[ . 1 . 2]" 1
302 1 35 ILE H 1 35 ILE QG . . 4.320 2.623 2.025 2.975 . 0 0 "[ . 1 . 2]" 1
303 1 35 ILE H 1 35 ILE HG13 . . 5.020 2.661 2.038 3.033 . 0 0 "[ . 1 . 2]" 1
304 1 35 ILE H 1 67 HIS HD2 . . 4.360 3.763 2.844 4.363 0.003 18 0 "[ . 1 . 2]" 1
305 1 35 ILE HA 1 35 ILE MD . . 4.100 3.870 3.814 3.892 . 0 0 "[ . 1 . 2]" 1
306 1 35 ILE HA 1 35 ILE HG12 . . 4.210 2.731 2.500 2.815 . 0 0 "[ . 1 . 2]" 1
307 1 35 ILE HA 1 35 ILE QG . . 3.650 2.438 2.390 2.475 . 0 0 "[ . 1 . 2]" 1
308 1 35 ILE HA 1 35 ILE HG13 . . 4.210 2.762 2.672 3.036 . 0 0 "[ . 1 . 2]" 1
309 1 35 ILE HA 1 35 ILE MG . . 3.270 2.464 2.425 2.486 . 0 0 "[ . 1 . 2]" 1
310 1 35 ILE HA 1 36 PRO HD2 . . 3.170 2.173 2.122 2.179 . 0 0 "[ . 1 . 2]" 1
311 1 35 ILE HA 1 36 PRO HD3 . . 3.170 2.253 2.252 2.256 . 0 0 "[ . 1 . 2]" 1
312 1 35 ILE HA 1 36 PRO HG2 . . 4.660 4.331 4.290 4.335 . 0 0 "[ . 1 . 2]" 1
313 1 35 ILE HA 1 36 PRO HG3 . . 4.660 4.357 4.339 4.360 . 0 0 "[ . 1 . 2]" 1
314 1 35 ILE HB 1 35 ILE MD . . 3.060 2.203 2.099 2.355 . 0 0 "[ . 1 . 2]" 1
315 1 35 ILE HB 1 36 PRO HD2 . . 4.950 3.942 3.924 4.072 . 0 0 "[ . 1 . 2]" 1
316 1 35 ILE HB 1 36 PRO QD . . 4.190 3.784 3.768 3.894 . 0 0 "[ . 1 . 2]" 1
317 1 35 ILE HB 1 36 PRO HD3 . . 4.950 4.882 4.868 4.955 0.005 9 0 "[ . 1 . 2]" 1
318 1 35 ILE HB 1 38 ILE MD . . 5.500 5.262 4.921 5.501 0.001 7 0 "[ . 1 . 2]" 1
319 1 35 ILE HB 1 43 MET ME . . 4.390 3.351 3.021 3.666 . 0 0 "[ . 1 . 2]" 1
320 1 35 ILE HB 1 67 HIS HD2 . . 3.770 2.089 1.998 2.246 . 0 0 "[ . 1 . 2]" 1
321 1 35 ILE QG 1 35 ILE MG . . 3.060 2.123 2.074 2.264 . 0 0 "[ . 1 . 2]" 1
322 1 35 ILE QG 1 67 HIS HD2 . . 4.270 4.090 3.832 4.271 0.001 10 0 "[ . 1 . 2]" 1
323 1 35 ILE HG12 1 67 HIS HD2 . . 4.970 4.884 4.749 4.973 0.003 19 0 "[ . 1 . 2]" 1
324 1 35 ILE HG13 1 67 HIS HD2 . . 4.970 4.401 4.021 4.710 . 0 0 "[ . 1 . 2]" 1
325 1 35 ILE MG 1 36 PRO HD2 . . 3.920 1.821 1.812 1.920 . 0 0 "[ . 1 . 2]" 1
326 1 35 ILE MG 1 36 PRO QD . . 3.370 1.810 1.802 1.908 . 0 0 "[ . 1 . 2]" 1
327 1 35 ILE MG 1 36 PRO HD3 . . 3.920 3.158 3.141 3.311 . 0 0 "[ . 1 . 2]" 1
328 1 35 ILE MG 1 37 GLU H . . 4.840 4.737 4.709 4.790 . 0 0 "[ . 1 . 2]" 1
329 1 35 ILE MG 1 38 ILE H . . 4.160 3.398 3.268 3.558 . 0 0 "[ . 1 . 2]" 1
330 1 35 ILE MG 1 38 ILE HB . . 3.360 2.018 1.871 2.266 . 0 0 "[ . 1 . 2]" 1
331 1 35 ILE MG 1 38 ILE MD . . 3.510 2.556 2.258 2.803 . 0 0 "[ . 1 . 2]" 1
332 1 35 ILE MG 1 38 ILE MG . . 3.850 2.531 2.315 2.899 . 0 0 "[ . 1 . 2]" 1
333 1 35 ILE MG 1 43 MET ME . . 3.460 2.109 1.891 2.722 . 0 0 "[ . 1 . 2]" 1
334 1 35 ILE MG 1 67 HIS HD2 . . 4.810 3.030 2.520 3.495 . 0 0 "[ . 1 . 2]" 1
335 1 36 PRO HA 1 37 GLU H . . 2.970 2.698 2.624 2.726 . 0 0 "[ . 1 . 2]" 1
336 1 36 PRO HA 1 37 GLU HA . . 4.550 4.340 4.332 4.347 . 0 0 "[ . 1 . 2]" 1
337 1 36 PRO HA 1 38 ILE H . . 4.340 4.171 4.119 4.241 . 0 0 "[ . 1 . 2]" 1
338 1 36 PRO HA 1 65 ASN HB2 . . 4.290 2.868 2.046 4.127 . 0 0 "[ . 1 . 2]" 1
339 1 36 PRO HA 1 65 ASN QB . . 3.550 2.381 2.024 2.859 . 0 0 "[ . 1 . 2]" 1
340 1 36 PRO HA 1 65 ASN HB3 . . 4.290 3.121 2.289 4.277 . 0 0 "[ . 1 . 2]" 1
341 1 36 PRO HA 1 65 ASN QD . . 5.070 3.699 2.181 4.772 . 0 0 "[ . 1 . 2]" 1
342 1 36 PRO QB 1 37 GLU H . . 3.590 1.937 1.886 2.077 . 0 0 "[ . 1 . 2]" 1
343 1 36 PRO QB 1 65 ASN QB . . 4.210 3.987 3.727 4.211 0.001 11 0 "[ . 1 . 2]" 1
344 1 36 PRO HB2 1 37 GLU H . . 4.090 1.955 1.900 2.103 . 0 0 "[ . 1 . 2]" 1
345 1 36 PRO HB3 1 37 GLU H . . 4.090 3.165 3.146 3.221 . 0 0 "[ . 1 . 2]" 1
346 1 36 PRO QD 1 38 ILE H . . 4.970 4.002 3.906 4.084 . 0 0 "[ . 1 . 2]" 1
347 1 36 PRO HD2 1 38 ILE HB . . 4.780 3.038 2.963 3.173 . 0 0 "[ . 1 . 2]" 1
348 1 36 PRO HD3 1 38 ILE HB . . 4.780 4.652 4.591 4.767 . 0 0 "[ . 1 . 2]" 1
349 1 36 PRO QG 1 37 GLU H . . 4.270 3.647 3.596 3.780 . 0 0 "[ . 1 . 2]" 1
350 1 36 PRO HG2 1 37 GLU H . . 4.960 3.837 3.779 3.988 . 0 0 "[ . 1 . 2]" 1
351 1 36 PRO HG3 1 37 GLU H . . 4.960 4.558 4.509 4.689 . 0 0 "[ . 1 . 2]" 1
352 1 37 GLU H 1 37 GLU QB . . 3.580 2.358 2.124 2.495 . 0 0 "[ . 1 . 2]" 1
353 1 37 GLU H 1 37 GLU HG2 . . 4.300 2.958 2.205 4.049 . 0 0 "[ . 1 . 2]" 1
354 1 37 GLU H 1 37 GLU HG3 . . 4.300 3.277 2.141 4.324 0.024 14 0 "[ . 1 . 2]" 1
355 1 37 GLU H 1 38 ILE H . . 3.700 2.827 2.764 2.902 . 0 0 "[ . 1 . 2]" 1
356 1 37 GLU H 1 65 ASN QB . . 4.500 3.637 3.069 4.301 . 0 0 "[ . 1 . 2]" 1
357 1 37 GLU HA 1 37 GLU HG2 . . 3.950 2.992 2.172 3.843 . 0 0 "[ . 1 . 2]" 1
358 1 37 GLU HA 1 37 GLU HG3 . . 3.950 3.360 2.387 3.881 . 0 0 "[ . 1 . 2]" 1
359 1 37 GLU HA 1 38 ILE H . . 3.470 3.452 3.424 3.474 0.004 16 0 "[ . 1 . 2]" 1
360 1 37 GLU QB 1 38 ILE H . . 3.890 3.149 2.887 3.634 . 0 0 "[ . 1 . 2]" 1
361 1 37 GLU QB 1 38 ILE HA . . 4.850 4.162 3.893 4.637 . 0 0 "[ . 1 . 2]" 1
362 1 38 ILE H 1 38 ILE HB . . 3.370 2.567 2.514 2.657 . 0 0 "[ . 1 . 2]" 1
363 1 38 ILE H 1 38 ILE MD . . 4.220 3.521 3.399 3.739 . 0 0 "[ . 1 . 2]" 1
364 1 38 ILE H 1 38 ILE HG12 . . 3.640 3.490 3.332 3.640 . 0 0 "[ . 1 . 2]" 1
365 1 38 ILE H 1 38 ILE QG . . 3.170 2.127 1.956 2.212 . 0 0 "[ . 1 . 2]" 1
366 1 38 ILE H 1 38 ILE HG13 . . 3.640 2.146 1.969 2.243 . 0 0 "[ . 1 . 2]" 1
367 1 38 ILE H 1 38 ILE MG . . 3.800 3.783 3.772 3.789 . 0 0 "[ . 1 . 2]" 1
368 1 38 ILE H 1 39 ASN H . . 4.590 4.463 4.326 4.584 . 0 0 "[ . 1 . 2]" 1
369 1 38 ILE HA 1 38 ILE MD . . 4.530 3.808 3.745 3.845 . 0 0 "[ . 1 . 2]" 1
370 1 38 ILE HA 1 38 ILE HG12 . . 4.200 2.526 2.362 2.608 . 0 0 "[ . 1 . 2]" 1
371 1 38 ILE HA 1 38 ILE HG13 . . 4.200 2.775 2.652 2.935 . 0 0 "[ . 1 . 2]" 1
372 1 38 ILE HA 1 38 ILE MG . . 3.460 2.477 2.405 2.521 . 0 0 "[ . 1 . 2]" 1
373 1 38 ILE HA 1 39 ASN HA . . 5.040 4.392 4.365 4.436 . 0 0 "[ . 1 . 2]" 1
374 1 38 ILE HA 1 39 ASN QB . . 5.340 4.274 4.040 4.442 . 0 0 "[ . 1 . 2]" 1
375 1 38 ILE HB 1 38 ILE MD . . 3.670 2.280 2.200 2.412 . 0 0 "[ . 1 . 2]" 1
376 1 38 ILE HB 1 39 ASN H . . 4.950 4.330 4.148 4.480 . 0 0 "[ . 1 . 2]" 1
377 1 38 ILE MD 1 43 MET HG2 . . 4.830 4.356 3.860 4.675 . 0 0 "[ . 1 . 2]" 1
378 1 38 ILE MD 1 85 TYR HB2 . . 4.440 3.534 2.993 3.933 . 0 0 "[ . 1 . 2]" 1
379 1 38 ILE MD 1 85 TYR HB3 . . 4.440 3.930 3.346 4.442 0.002 17 0 "[ . 1 . 2]" 1
380 1 38 ILE MD 1 85 TYR QD . . 4.110 2.990 2.393 3.553 . 0 0 "[ . 1 . 2]" 1
381 1 38 ILE MD 1 85 TYR QE . . 4.340 3.209 2.380 3.888 . 0 0 "[ . 1 . 2]" 1
382 1 38 ILE MD 1 90 VAL MG1 . . 4.010 3.578 3.056 3.982 . 0 0 "[ . 1 . 2]" 1
383 1 38 ILE MG 1 39 ASN H . . 4.510 2.693 2.117 3.160 . 0 0 "[ . 1 . 2]" 1
384 1 38 ILE MG 1 39 ASN HA . . 5.210 3.922 3.626 4.231 . 0 0 "[ . 1 . 2]" 1
385 1 38 ILE MG 1 42 ASP QB . . 3.850 3.332 2.571 3.824 . 0 0 "[ . 1 . 2]" 1
386 1 38 ILE MG 1 43 MET HG2 . . 3.940 2.897 2.524 3.216 . 0 0 "[ . 1 . 2]" 1
387 1 38 ILE MG 1 43 MET HG3 . . 3.740 2.124 1.921 2.423 . 0 0 "[ . 1 . 2]" 1
388 1 38 ILE MG 1 85 TYR HA . . 5.500 4.414 4.031 4.718 . 0 0 "[ . 1 . 2]" 1
389 1 38 ILE MG 1 85 TYR HB2 . . 4.860 3.347 2.902 3.776 . 0 0 "[ . 1 . 2]" 1
390 1 38 ILE MG 1 85 TYR QB . . 4.210 3.254 2.845 3.635 . 0 0 "[ . 1 . 2]" 1
391 1 38 ILE MG 1 85 TYR HB3 . . 4.860 4.455 3.840 4.856 . 0 0 "[ . 1 . 2]" 1
392 1 38 ILE MG 1 85 TYR QD . . 4.010 2.850 2.283 3.373 . 0 0 "[ . 1 . 2]" 1
393 1 38 ILE MG 1 85 TYR QE . . 3.940 2.780 2.013 3.441 . 0 0 "[ . 1 . 2]" 1
394 1 39 ASN H 1 39 ASN QB . . 3.700 2.318 2.156 2.487 . 0 0 "[ . 1 . 2]" 1
395 1 39 ASN HA 1 39 ASN HD21 . . 4.790 3.562 2.044 4.460 . 0 0 "[ . 1 . 2]" 1
396 1 39 ASN HA 1 39 ASN QD . . 4.210 3.336 2.032 4.077 . 0 0 "[ . 1 . 2]" 1
397 1 39 ASN HA 1 39 ASN HD22 . . 4.790 4.135 3.447 4.718 . 0 0 "[ . 1 . 2]" 1
398 1 39 ASN HA 1 40 SER HA . . 5.390 4.342 4.301 4.405 . 0 0 "[ . 1 . 2]" 1
399 1 39 ASN HA 1 67 HIS HE1 . . 4.510 3.421 2.690 4.386 . 0 0 "[ . 1 . 2]" 1
400 1 39 ASN QB 1 41 SER H . . 4.060 2.743 2.246 3.032 . 0 0 "[ . 1 . 2]" 1
401 1 39 ASN QB 1 41 SER QB . . 4.760 3.377 2.975 3.876 . 0 0 "[ . 1 . 2]" 1
402 1 39 ASN QB 1 42 ASP H . . 3.340 3.103 2.373 3.331 . 0 0 "[ . 1 . 2]" 1
403 1 39 ASN HB2 1 41 SER H . . 4.680 3.979 3.456 4.665 . 0 0 "[ . 1 . 2]" 1
404 1 39 ASN HB2 1 42 ASP H . . 4.120 3.619 3.146 4.121 0.001 17 0 "[ . 1 . 2]" 1
405 1 39 ASN HB3 1 41 SER H . . 4.680 2.804 2.274 3.174 . 0 0 "[ . 1 . 2]" 1
406 1 39 ASN HB3 1 42 ASP H . . 4.120 3.555 2.388 4.055 . 0 0 "[ . 1 . 2]" 1
407 1 40 SER H 1 41 SER H . . 4.600 2.337 2.003 2.815 . 0 0 "[ . 1 . 2]" 1
408 1 40 SER H 1 67 HIS HE1 . . 4.810 3.079 1.926 3.943 . 0 0 "[ . 1 . 2]" 1
409 1 40 SER HA 1 42 ASP H . . 4.150 3.634 3.357 4.132 . 0 0 "[ . 1 . 2]" 1
410 1 40 SER HA 1 43 MET H . . 4.280 2.908 2.745 3.482 . 0 0 "[ . 1 . 2]" 1
411 1 40 SER HA 1 43 MET HB2 . . 4.400 2.260 2.060 3.169 . 0 0 "[ . 1 . 2]" 1
412 1 40 SER HA 1 43 MET HB3 . . 5.080 3.920 3.625 4.882 . 0 0 "[ . 1 . 2]" 1
413 1 40 SER HA 1 43 MET ME . . 3.760 2.185 1.877 2.680 . 0 0 "[ . 1 . 2]" 1
414 1 40 SER HA 1 43 MET HG3 . . 4.660 3.536 2.854 4.148 . 0 0 "[ . 1 . 2]" 1
415 1 40 SER HA 1 59 ILE MG . . 3.950 3.722 3.357 3.946 . 0 0 "[ . 1 . 2]" 1
416 1 40 SER HA 1 67 HIS HE1 . . 4.820 4.145 3.371 4.799 . 0 0 "[ . 1 . 2]" 1
417 1 40 SER QB 1 59 ILE MD . . 4.680 2.412 1.820 3.226 . 0 0 "[ . 1 . 2]" 1
418 1 40 SER QB 1 59 ILE MG . . 3.270 2.385 1.957 2.957 . 0 0 "[ . 1 . 2]" 1
419 1 40 SER HB2 1 41 SER H . . 4.010 3.588 2.390 4.010 0.000 9 0 "[ . 1 . 2]" 1
420 1 40 SER HB2 1 59 ILE HB . . 4.530 3.053 2.268 4.031 . 0 0 "[ . 1 . 2]" 1
421 1 40 SER HB2 1 59 ILE MG . . 3.780 2.921 2.315 3.781 0.001 17 0 "[ . 1 . 2]" 1
422 1 40 SER HB3 1 41 SER H . . 4.010 3.656 2.609 3.986 . 0 0 "[ . 1 . 2]" 1
423 1 40 SER HB3 1 59 ILE HB . . 4.530 3.391 2.620 4.353 . 0 0 "[ . 1 . 2]" 1
424 1 40 SER HB3 1 59 ILE MG . . 3.780 2.790 2.022 3.779 . 0 0 "[ . 1 . 2]" 1
425 1 41 SER H 1 41 SER HB2 . . 3.910 2.783 2.260 3.594 . 0 0 "[ . 1 . 2]" 1
426 1 41 SER H 1 41 SER QB . . 3.420 2.380 2.178 2.759 . 0 0 "[ . 1 . 2]" 1
427 1 41 SER H 1 41 SER HB3 . . 3.910 3.037 2.354 3.609 . 0 0 "[ . 1 . 2]" 1
428 1 41 SER H 1 42 ASP H . . 3.570 2.753 2.530 2.962 . 0 0 "[ . 1 . 2]" 1
429 1 41 SER H 1 43 MET H . . 5.100 4.139 3.925 4.334 . 0 0 "[ . 1 . 2]" 1
430 1 41 SER HA 1 43 MET H . . 4.790 4.400 3.902 4.754 . 0 0 "[ . 1 . 2]" 1
431 1 41 SER QB 1 42 ASP H . . 3.840 3.160 2.636 3.733 . 0 0 "[ . 1 . 2]" 1
432 1 41 SER HB2 1 42 ASP H . . 4.630 3.606 2.692 4.167 . 0 0 "[ . 1 . 2]" 1
433 1 41 SER HB3 1 42 ASP H . . 4.630 3.739 2.822 4.375 . 0 0 "[ . 1 . 2]" 1
434 1 42 ASP H 1 42 ASP HB2 . . 3.760 2.677 2.217 3.658 . 0 0 "[ . 1 . 2]" 1
435 1 42 ASP H 1 42 ASP QB . . 3.010 2.525 2.194 2.993 . 0 0 "[ . 1 . 2]" 1
436 1 42 ASP H 1 42 ASP HB3 . . 3.760 3.512 2.798 3.755 . 0 0 "[ . 1 . 2]" 1
437 1 42 ASP H 1 43 MET H . . 3.030 2.196 1.959 2.574 . 0 0 "[ . 1 . 2]" 1
438 1 42 ASP H 1 85 TYR QE . . 5.190 4.986 4.581 5.192 0.002 11 0 "[ . 1 . 2]" 1
439 1 42 ASP HA 1 85 TYR QE . . 5.240 4.880 4.341 5.239 . 0 0 "[ . 1 . 2]" 1
440 1 42 ASP QB 1 43 MET H . . 3.830 2.950 2.560 3.508 . 0 0 "[ . 1 . 2]" 1
441 1 42 ASP QB 1 43 MET HG2 . . 5.130 4.515 4.224 5.004 . 0 0 "[ . 1 . 2]" 1
442 1 42 ASP QB 1 43 MET HG3 . . 4.520 3.687 3.001 4.424 . 0 0 "[ . 1 . 2]" 1
443 1 42 ASP QB 1 85 TYR QD . . 3.710 2.887 2.254 3.603 . 0 0 "[ . 1 . 2]" 1
444 1 42 ASP QB 1 86 ARG H . . 4.920 4.145 3.305 4.805 . 0 0 "[ . 1 . 2]" 1
445 1 42 ASP QB 1 86 ARG QG . . 3.890 2.389 1.861 3.377 . 0 0 "[ . 1 . 2]" 1
446 1 42 ASP HB2 1 85 TYR QD . . 4.410 3.339 2.375 3.978 . 0 0 "[ . 1 . 2]" 1
447 1 42 ASP HB2 1 85 TYR QE . . 3.590 2.567 2.026 3.009 . 0 0 "[ . 1 . 2]" 1
448 1 42 ASP HB3 1 85 TYR QD . . 4.410 3.451 2.266 4.354 . 0 0 "[ . 1 . 2]" 1
449 1 42 ASP HB3 1 85 TYR QE . . 3.590 2.670 1.998 3.509 . 0 0 "[ . 1 . 2]" 1
450 1 43 MET H 1 43 MET HB2 . . 3.220 2.295 2.206 2.435 . 0 0 "[ . 1 . 2]" 1
451 1 43 MET H 1 43 MET HB3 . . 3.720 3.558 3.503 3.644 . 0 0 "[ . 1 . 2]" 1
452 1 43 MET H 1 43 MET ME . . 4.640 3.638 2.869 4.015 . 0 0 "[ . 1 . 2]" 1
453 1 43 MET H 1 43 MET HG2 . . 3.920 3.791 3.593 3.916 . 0 0 "[ . 1 . 2]" 1
454 1 43 MET H 1 43 MET HG3 . . 3.700 2.846 2.551 3.249 . 0 0 "[ . 1 . 2]" 1
455 1 43 MET H 1 44 SER H . . 4.610 4.568 4.524 4.617 0.007 8 0 "[ . 1 . 2]" 1
456 1 43 MET H 1 59 ILE MD . . 4.480 4.352 4.224 4.480 . 0 0 "[ . 1 . 2]" 1
457 1 43 MET HA 1 43 MET HG2 . . 3.830 2.350 2.185 2.572 . 0 0 "[ . 1 . 2]" 1
458 1 43 MET HA 1 43 MET HG3 . . 4.070 3.026 2.846 3.157 . 0 0 "[ . 1 . 2]" 1
459 1 43 MET HA 1 44 SER H . . 2.940 2.482 2.334 2.601 . 0 0 "[ . 1 . 2]" 1
460 1 43 MET HA 1 59 ILE MD . . 5.080 4.850 4.609 5.076 . 0 0 "[ . 1 . 2]" 1
461 1 43 MET HA 1 85 TYR HA . . 3.920 2.479 2.158 2.852 . 0 0 "[ . 1 . 2]" 1
462 1 43 MET HA 1 85 TYR QB . . 4.660 3.850 3.280 4.547 . 0 0 "[ . 1 . 2]" 1
463 1 43 MET HA 1 85 TYR QD . . 4.260 3.102 2.761 3.439 . 0 0 "[ . 1 . 2]" 1
464 1 43 MET HA 1 86 ARG H . . 4.640 3.330 2.761 4.141 . 0 0 "[ . 1 . 2]" 1
465 1 43 MET HB2 1 43 MET ME . . 4.200 2.150 1.991 2.354 . 0 0 "[ . 1 . 2]" 1
466 1 43 MET HB2 1 43 MET HG3 . . 2.950 2.373 2.287 2.502 . 0 0 "[ . 1 . 2]" 1
467 1 43 MET HB2 1 44 SER H . . 3.960 3.648 3.444 3.922 . 0 0 "[ . 1 . 2]" 1
468 1 43 MET HB2 1 59 ILE MD . . 3.330 2.978 2.693 3.259 . 0 0 "[ . 1 . 2]" 1
469 1 43 MET HB2 1 59 ILE MG . . 4.610 4.502 4.219 4.608 . 0 0 "[ . 1 . 2]" 1
470 1 43 MET HB2 1 83 VAL MG1 . . 5.340 4.861 4.302 5.339 . 0 0 "[ . 1 . 2]" 1
471 1 43 MET HB3 1 43 MET ME . . 4.160 2.860 2.317 3.256 . 0 0 "[ . 1 . 2]" 1
472 1 43 MET HB3 1 44 SER H . . 3.490 2.276 2.035 2.615 . 0 0 "[ . 1 . 2]" 1
473 1 43 MET HB3 1 59 ILE MD . . 3.840 3.111 2.729 3.549 . 0 0 "[ . 1 . 2]" 1
474 1 43 MET HB3 1 83 VAL MG1 . . 4.010 3.490 3.041 3.946 . 0 0 "[ . 1 . 2]" 1
475 1 43 MET ME 1 59 ILE MG . . 3.830 3.059 2.378 3.450 . 0 0 "[ . 1 . 2]" 1
476 1 43 MET ME 1 67 HIS HB2 . . 4.770 3.683 3.165 4.232 . 0 0 "[ . 1 . 2]" 1
477 1 43 MET ME 1 67 HIS HB3 . . 4.680 3.822 3.233 4.420 . 0 0 "[ . 1 . 2]" 1
478 1 43 MET ME 1 67 HIS HE1 . . 4.620 3.816 3.036 4.467 . 0 0 "[ . 1 . 2]" 1
479 1 43 MET HG2 1 44 SER H . . 4.240 3.661 3.463 3.897 . 0 0 "[ . 1 . 2]" 1
480 1 43 MET HG2 1 85 TYR HA . . 4.800 2.789 2.206 3.628 . 0 0 "[ . 1 . 2]" 1
481 1 43 MET HG2 1 85 TYR HB2 . . 4.560 2.545 2.278 3.006 . 0 0 "[ . 1 . 2]" 1
482 1 43 MET HG2 1 85 TYR QB . . 3.830 2.524 2.264 2.958 . 0 0 "[ . 1 . 2]" 1
483 1 43 MET HG2 1 85 TYR HB3 . . 4.560 4.223 3.964 4.549 . 0 0 "[ . 1 . 2]" 1
484 1 43 MET HG2 1 85 TYR QD . . 4.110 2.744 2.000 3.295 . 0 0 "[ . 1 . 2]" 1
485 1 43 MET HG3 1 44 SER H . . 5.060 4.674 4.529 4.856 . 0 0 "[ . 1 . 2]" 1
486 1 43 MET HG3 1 59 ILE MD . . 5.180 4.817 4.411 5.142 . 0 0 "[ . 1 . 2]" 1
487 1 43 MET HG3 1 85 TYR HA . . 5.020 4.052 3.511 4.771 . 0 0 "[ . 1 . 2]" 1
488 1 43 MET HG3 1 85 TYR QB . . 4.390 3.763 3.363 4.315 . 0 0 "[ . 1 . 2]" 1
489 1 43 MET HG3 1 85 TYR QD . . 4.240 2.954 2.277 3.840 . 0 0 "[ . 1 . 2]" 1
490 1 44 SER H 1 44 SER HB2 . . 3.980 3.412 2.754 3.974 . 0 0 "[ . 1 . 2]" 1
491 1 44 SER H 1 44 SER QB . . 3.480 2.951 2.653 3.340 . 0 0 "[ . 1 . 2]" 1
492 1 44 SER H 1 44 SER HB3 . . 3.980 3.505 2.907 3.939 . 0 0 "[ . 1 . 2]" 1
493 1 44 SER H 1 45 ALA H . . 4.480 4.123 3.906 4.438 . 0 0 "[ . 1 . 2]" 1
494 1 44 SER H 1 59 ILE MD . . 4.150 3.962 3.723 4.151 0.001 10 0 "[ . 1 . 2]" 1
495 1 44 SER H 1 83 VAL HA . . 4.470 4.196 3.933 4.458 . 0 0 "[ . 1 . 2]" 1
496 1 44 SER H 1 83 VAL MG1 . . 4.330 3.489 3.192 3.754 . 0 0 "[ . 1 . 2]" 1
497 1 44 SER H 1 84 LYS HB2 . . 4.860 4.631 4.154 4.848 . 0 0 "[ . 1 . 2]" 1
498 1 44 SER H 1 85 TYR HA . . 4.370 3.958 3.644 4.225 . 0 0 "[ . 1 . 2]" 1
499 1 44 SER HA 1 45 ALA H . . 3.150 2.169 2.138 2.396 . 0 0 "[ . 1 . 2]" 1
500 1 44 SER HA 1 45 ALA MB . . 4.180 3.937 3.807 4.033 . 0 0 "[ . 1 . 2]" 1
501 1 44 SER QB 1 45 ALA H . . 3.570 3.287 2.919 3.423 . 0 0 "[ . 1 . 2]" 1
502 1 44 SER QB 1 46 HIS HE1 . . 3.600 2.345 1.998 3.577 . 0 0 "[ . 1 . 2]" 1
503 1 44 SER QB 1 59 ILE MD . . 4.960 4.820 4.568 4.959 . 0 0 "[ . 1 . 2]" 1
504 1 44 SER QB 1 84 LYS HB2 . . 4.830 3.913 3.045 4.537 . 0 0 "[ . 1 . 2]" 1
505 1 44 SER HB2 1 45 ALA H . . 4.410 3.843 2.986 4.401 . 0 0 "[ . 1 . 2]" 1
506 1 44 SER HB2 1 46 HIS HE1 . . 4.120 3.110 2.060 4.108 . 0 0 "[ . 1 . 2]" 1
507 1 44 SER HB2 1 84 LYS H . . 5.240 4.297 3.098 5.113 . 0 0 "[ . 1 . 2]" 1
508 1 44 SER HB2 1 84 LYS HB2 . . 5.500 4.392 3.116 5.413 . 0 0 "[ . 1 . 2]" 1
509 1 44 SER HB3 1 45 ALA H . . 4.410 3.863 3.143 4.396 . 0 0 "[ . 1 . 2]" 1
510 1 44 SER HB3 1 46 HIS HE1 . . 4.120 3.110 2.005 4.118 . 0 0 "[ . 1 . 2]" 1
511 1 44 SER HB3 1 84 LYS H . . 5.240 4.648 3.367 5.171 . 0 0 "[ . 1 . 2]" 1
512 1 44 SER HB3 1 84 LYS HB2 . . 5.500 4.728 3.780 5.438 . 0 0 "[ . 1 . 2]" 1
513 1 45 ALA H 1 45 ALA MB . . 3.350 2.419 2.316 2.673 . 0 0 "[ . 1 . 2]" 1
514 1 45 ALA H 1 59 ILE MD . . 3.980 3.173 2.669 3.877 . 0 0 "[ . 1 . 2]" 1
515 1 45 ALA HA 1 46 HIS H . . 2.680 2.158 2.142 2.205 . 0 0 "[ . 1 . 2]" 1
516 1 45 ALA HA 1 81 VAL MG1 . . 4.430 3.736 3.453 3.958 . 0 0 "[ . 1 . 2]" 1
517 1 45 ALA HA 1 83 VAL HA . . 3.490 2.913 2.624 3.204 . 0 0 "[ . 1 . 2]" 1
518 1 45 ALA HA 1 83 VAL MG1 . . 4.530 3.695 3.290 4.109 . 0 0 "[ . 1 . 2]" 1
519 1 45 ALA HA 1 83 VAL MG2 . . 4.050 3.007 2.364 3.398 . 0 0 "[ . 1 . 2]" 1
520 1 45 ALA HA 1 84 LYS H . . 4.420 4.267 4.017 4.414 . 0 0 "[ . 1 . 2]" 1
521 1 45 ALA MB 1 46 HIS H . . 3.340 3.119 2.951 3.277 . 0 0 "[ . 1 . 2]" 1
522 1 45 ALA MB 1 57 ALA H . . 4.150 3.537 3.185 3.982 . 0 0 "[ . 1 . 2]" 1
523 1 45 ALA MB 1 59 ILE H . . 5.500 5.005 4.616 5.243 . 0 0 "[ . 1 . 2]" 1
524 1 45 ALA MB 1 59 ILE HB . . 5.300 5.094 4.686 5.288 . 0 0 "[ . 1 . 2]" 1
525 1 45 ALA MB 1 59 ILE MD . . 3.010 2.591 2.323 2.917 . 0 0 "[ . 1 . 2]" 1
526 1 45 ALA MB 1 59 ILE HG12 . . 3.260 3.044 2.870 3.261 0.001 7 0 "[ . 1 . 2]" 1
527 1 45 ALA MB 1 59 ILE HG13 . . 3.810 3.052 2.665 3.341 . 0 0 "[ . 1 . 2]" 1
528 1 46 HIS H 1 46 HIS HB2 . . 3.460 2.842 2.655 2.949 . 0 0 "[ . 1 . 2]" 1
529 1 46 HIS H 1 46 HIS HB3 . . 4.050 3.890 3.783 3.952 . 0 0 "[ . 1 . 2]" 1
530 1 46 HIS H 1 47 VAL H . . 4.420 4.215 4.078 4.415 . 0 0 "[ . 1 . 2]" 1
531 1 46 HIS H 1 47 VAL MG2 . . 4.710 4.395 4.278 4.554 . 0 0 "[ . 1 . 2]" 1
532 1 46 HIS H 1 54 VAL MG1 . . 5.500 5.238 4.789 5.483 . 0 0 "[ . 1 . 2]" 1
533 1 46 HIS H 1 81 VAL MG1 . . 4.060 3.180 2.665 3.552 . 0 0 "[ . 1 . 2]" 1
534 1 46 HIS H 1 82 SER H . . 3.650 3.195 2.808 3.612 . 0 0 "[ . 1 . 2]" 1
535 1 46 HIS H 1 82 SER QB . . 3.890 3.483 2.667 3.873 . 0 0 "[ . 1 . 2]" 1
536 1 46 HIS H 1 83 VAL HA . . 4.450 4.014 3.649 4.336 . 0 0 "[ . 1 . 2]" 1
537 1 46 HIS H 1 83 VAL MG1 . . 5.500 5.193 4.776 5.500 0.000 15 0 "[ . 1 . 2]" 1
538 1 46 HIS H 1 83 VAL MG2 . . 4.290 3.699 3.078 4.032 . 0 0 "[ . 1 . 2]" 1
539 1 46 HIS HA 1 46 HIS HD2 . . 4.660 3.577 3.050 3.969 . 0 0 "[ . 1 . 2]" 1
540 1 46 HIS HA 1 47 VAL H . . 2.840 2.174 2.143 2.256 . 0 0 "[ . 1 . 2]" 1
541 1 46 HIS HA 1 47 VAL HB . . 4.680 4.620 4.521 4.672 . 0 0 "[ . 1 . 2]" 1
542 1 46 HIS HA 1 47 VAL MG2 . . 4.270 3.648 3.429 3.781 . 0 0 "[ . 1 . 2]" 1
543 1 46 HIS HA 1 54 VAL MG1 . . 4.760 4.069 3.784 4.330 . 0 0 "[ . 1 . 2]" 1
544 1 46 HIS HA 1 56 GLU HA . . 3.360 2.628 2.355 2.944 . 0 0 "[ . 1 . 2]" 1
545 1 46 HIS HA 1 57 ALA H . . 3.440 2.944 2.327 3.225 . 0 0 "[ . 1 . 2]" 1
546 1 46 HIS HA 1 57 ALA MB . . 4.410 3.236 2.950 3.617 . 0 0 "[ . 1 . 2]" 1
547 1 46 HIS HB2 1 47 VAL H . . 4.290 4.173 3.936 4.270 . 0 0 "[ . 1 . 2]" 1
548 1 46 HIS HB2 1 54 VAL MG1 . . 3.650 3.174 2.697 3.499 . 0 0 "[ . 1 . 2]" 1
549 1 46 HIS HB2 1 56 GLU HA . . 4.860 4.682 4.336 4.842 . 0 0 "[ . 1 . 2]" 1
550 1 46 HIS HB2 1 82 SER HB2 . . 4.720 3.237 2.387 4.557 . 0 0 "[ . 1 . 2]" 1
551 1 46 HIS HB2 1 82 SER QB . . 4.050 2.885 2.359 3.739 . 0 0 "[ . 1 . 2]" 1
552 1 46 HIS HB2 1 82 SER HB3 . . 4.720 3.918 2.734 4.718 . 0 0 "[ . 1 . 2]" 1
553 1 46 HIS HB3 1 47 VAL H . . 3.680 3.190 2.832 3.390 . 0 0 "[ . 1 . 2]" 1
554 1 46 HIS HB3 1 54 VAL MG1 . . 3.410 2.214 2.004 2.504 . 0 0 "[ . 1 . 2]" 1
555 1 46 HIS HB3 1 56 GLU HA . . 4.670 3.600 3.176 3.897 . 0 0 "[ . 1 . 2]" 1
556 1 46 HIS HD2 1 54 VAL MG1 . . 3.570 3.010 2.503 3.470 . 0 0 "[ . 1 . 2]" 1
557 1 46 HIS HD2 1 56 GLU H . . 4.610 4.205 3.749 4.576 . 0 0 "[ . 1 . 2]" 1
558 1 46 HIS HD2 1 56 GLU HA . . 4.130 2.433 2.000 3.008 . 0 0 "[ . 1 . 2]" 1
559 1 46 HIS HD2 1 56 GLU QB . . 4.640 2.805 2.330 3.464 . 0 0 "[ . 1 . 2]" 1
560 1 47 VAL H 1 47 VAL HB . . 3.270 2.510 2.423 2.577 . 0 0 "[ . 1 . 2]" 1
561 1 47 VAL H 1 47 VAL MG1 . . 3.840 3.788 3.750 3.826 . 0 0 "[ . 1 . 2]" 1
562 1 47 VAL H 1 47 VAL MG2 . . 3.490 2.505 2.287 2.736 . 0 0 "[ . 1 . 2]" 1
563 1 47 VAL H 1 54 VAL MG1 . . 4.210 3.835 3.318 4.221 0.011 17 0 "[ . 1 . 2]" 1
564 1 47 VAL H 1 55 THR H . . 3.620 3.309 2.935 3.524 . 0 0 "[ . 1 . 2]" 1
565 1 47 VAL H 1 55 THR HB . . 4.860 3.409 2.511 4.521 . 0 0 "[ . 1 . 2]" 1
566 1 47 VAL H 1 56 GLU HA . . 4.100 3.778 3.485 4.066 . 0 0 "[ . 1 . 2]" 1
567 1 47 VAL H 1 57 ALA H . . 4.670 4.405 3.853 4.665 . 0 0 "[ . 1 . 2]" 1
568 1 47 VAL H 1 57 ALA MB . . 4.380 3.732 3.445 3.952 . 0 0 "[ . 1 . 2]" 1
569 1 47 VAL HA 1 47 VAL MG1 . . 3.540 2.363 2.287 2.476 . 0 0 "[ . 1 . 2]" 1
570 1 47 VAL HA 1 47 VAL MG2 . . 3.590 2.347 2.264 2.436 . 0 0 "[ . 1 . 2]" 1
571 1 47 VAL HA 1 48 THR H . . 3.010 2.156 2.139 2.196 . 0 0 "[ . 1 . 2]" 1
572 1 47 VAL HA 1 81 VAL MG2 . . 3.790 3.460 3.252 3.779 . 0 0 "[ . 1 . 2]" 1
573 1 47 VAL HB 1 48 THR H . . 4.540 4.334 4.060 4.461 . 0 0 "[ . 1 . 2]" 1
574 1 47 VAL HB 1 55 THR H . . 4.060 3.724 3.432 4.058 . 0 0 "[ . 1 . 2]" 1
575 1 47 VAL HB 1 55 THR HB . . 4.310 2.978 2.001 4.267 . 0 0 "[ . 1 . 2]" 1
576 1 47 VAL MG1 1 48 THR H . . 3.410 2.889 2.307 3.183 . 0 0 "[ . 1 . 2]" 1
577 1 47 VAL MG1 1 49 SER HA . . 4.630 4.038 3.699 4.210 . 0 0 "[ . 1 . 2]" 1
578 1 47 VAL MG1 1 55 THR HB . . 5.470 4.298 3.439 5.370 . 0 0 "[ . 1 . 2]" 1
579 1 47 VAL MG1 1 71 PHE QD . . 4.580 3.979 3.121 4.582 0.002 18 0 "[ . 1 . 2]" 1
580 1 47 VAL MG1 1 71 PHE QE . . 4.220 3.457 2.674 4.139 . 0 0 "[ . 1 . 2]" 1
581 1 47 VAL MG1 1 79 HIS HB2 . . 4.810 4.377 3.772 4.793 . 0 0 "[ . 1 . 2]" 1
582 1 47 VAL MG1 1 79 HIS HB3 . . 3.700 2.945 2.415 3.289 . 0 0 "[ . 1 . 2]" 1
583 1 47 VAL MG1 1 79 HIS HD2 . . 3.520 3.273 2.909 3.497 . 0 0 "[ . 1 . 2]" 1
584 1 47 VAL MG1 1 80 THR H . . 4.320 3.067 2.628 3.540 . 0 0 "[ . 1 . 2]" 1
585 1 47 VAL MG1 1 97 PHE QE . . 4.780 3.871 3.393 4.643 . 0 0 "[ . 1 . 2]" 1
586 1 47 VAL MG1 1 97 PHE HZ . . 4.510 3.717 3.152 4.490 . 0 0 "[ . 1 . 2]" 1
587 1 47 VAL MG2 1 48 THR H . . 4.360 4.119 3.919 4.224 . 0 0 "[ . 1 . 2]" 1
588 1 47 VAL MG2 1 55 THR HB . . 4.940 3.953 2.898 4.916 . 0 0 "[ . 1 . 2]" 1
589 1 47 VAL MG2 1 57 ALA H . . 5.430 4.826 4.388 5.122 . 0 0 "[ . 1 . 2]" 1
590 1 47 VAL MG2 1 57 ALA MB . . 3.130 2.797 2.524 3.080 . 0 0 "[ . 1 . 2]" 1
591 1 47 VAL MG2 1 71 PHE QB . . 3.710 3.253 2.774 3.707 . 0 0 "[ . 1 . 2]" 1
592 1 47 VAL MG2 1 71 PHE QD . . 4.030 2.803 2.073 3.365 . 0 0 "[ . 1 . 2]" 1
593 1 47 VAL MG2 1 71 PHE QE . . 4.630 2.656 2.116 3.184 . 0 0 "[ . 1 . 2]" 1
594 1 47 VAL MG2 1 71 PHE HZ . . 4.880 3.380 2.997 3.740 . 0 0 "[ . 1 . 2]" 1
595 1 47 VAL MG2 1 79 HIS HD2 . . 4.940 4.778 4.431 4.936 . 0 0 "[ . 1 . 2]" 1
596 1 47 VAL MG2 1 81 VAL MG2 . . 3.060 2.601 1.958 2.935 . 0 0 "[ . 1 . 2]" 1
597 1 47 VAL MG2 1 97 PHE QE . . 5.290 4.067 3.589 4.581 . 0 0 "[ . 1 . 2]" 1
598 1 47 VAL MG2 1 97 PHE HZ . . 5.500 4.077 3.705 4.831 . 0 0 "[ . 1 . 2]" 1
599 1 48 THR H 1 48 THR HB . . 3.300 2.586 2.407 2.766 . 0 0 "[ . 1 . 2]" 1
600 1 48 THR H 1 48 THR MG . . 4.050 3.792 3.745 3.847 . 0 0 "[ . 1 . 2]" 1
601 1 48 THR H 1 49 SER H . . 4.600 4.545 4.394 4.622 0.022 5 0 "[ . 1 . 2]" 1
602 1 48 THR H 1 80 THR H . . 3.950 3.654 3.346 3.889 . 0 0 "[ . 1 . 2]" 1
603 1 48 THR H 1 80 THR HB . . 4.370 3.653 3.088 3.923 . 0 0 "[ . 1 . 2]" 1
604 1 48 THR H 1 81 VAL MG2 . . 4.990 4.556 4.259 4.726 . 0 0 "[ . 1 . 2]" 1
605 1 48 THR HA 1 48 THR MG . . 3.330 2.321 2.133 2.437 . 0 0 "[ . 1 . 2]" 1
606 1 48 THR HA 1 49 SER H . . 2.780 2.227 2.142 2.357 . 0 0 "[ . 1 . 2]" 1
607 1 48 THR HA 1 54 VAL MG2 . . 3.510 2.771 2.343 3.154 . 0 0 "[ . 1 . 2]" 1
608 1 48 THR HA 1 55 THR H . . 3.600 3.345 2.844 3.598 . 0 0 "[ . 1 . 2]" 1
609 1 48 THR HB 1 49 SER H . . 4.270 3.927 3.597 4.258 . 0 0 "[ . 1 . 2]" 1
610 1 48 THR HB 1 80 THR H . . 4.330 3.960 3.508 4.334 0.004 17 0 "[ . 1 . 2]" 1
611 1 48 THR MG 1 49 SER H . . 3.490 2.183 1.894 2.847 . 0 0 "[ . 1 . 2]" 1
612 1 48 THR MG 1 52 GLY H . . 4.230 4.009 3.781 4.244 0.014 17 0 "[ . 1 . 2]" 1
613 1 48 THR MG 1 52 GLY HA2 . . 3.820 3.747 3.471 3.823 0.003 17 0 "[ . 1 . 2]" 1
614 1 48 THR MG 1 53 ARG H . . 4.830 4.256 3.218 4.831 0.001 18 0 "[ . 1 . 2]" 1
615 1 49 SER H 1 49 SER QB . . 3.330 2.503 2.252 2.790 . 0 0 "[ . 1 . 2]" 1
616 1 49 SER H 1 52 GLY H . . 4.790 3.956 3.731 4.506 . 0 0 "[ . 1 . 2]" 1
617 1 49 SER H 1 53 ARG H . . 4.300 3.722 2.938 4.279 . 0 0 "[ . 1 . 2]" 1
618 1 49 SER H 1 53 ARG HB2 . . 4.880 4.202 3.513 4.729 . 0 0 "[ . 1 . 2]" 1
619 1 49 SER H 1 53 ARG HB3 . . 4.880 4.580 3.949 4.873 . 0 0 "[ . 1 . 2]" 1
620 1 49 SER H 1 54 VAL HA . . 3.930 3.228 2.832 3.606 . 0 0 "[ . 1 . 2]" 1
621 1 49 SER H 1 54 VAL MG2 . . 4.570 3.513 2.902 4.155 . 0 0 "[ . 1 . 2]" 1
622 1 49 SER HA 1 50 PRO HD2 . . 3.660 2.398 2.349 2.449 . 0 0 "[ . 1 . 2]" 1
623 1 49 SER HA 1 50 PRO HD3 . . 3.200 2.297 2.279 2.317 . 0 0 "[ . 1 . 2]" 1
624 1 49 SER HA 1 50 PRO HG2 . . 4.910 4.510 4.470 4.552 . 0 0 "[ . 1 . 2]" 1
625 1 49 SER HA 1 50 PRO HG3 . . 4.590 4.469 4.440 4.500 . 0 0 "[ . 1 . 2]" 1
626 1 49 SER HA 1 75 GLU QG . . 4.770 2.433 1.952 3.041 . 0 0 "[ . 1 . 2]" 1
627 1 49 SER HA 1 80 THR H . . 4.620 4.319 3.873 4.562 . 0 0 "[ . 1 . 2]" 1
628 1 49 SER QB 1 50 PRO HD2 . . 3.280 2.007 1.957 2.079 . 0 0 "[ . 1 . 2]" 1
629 1 49 SER QB 1 50 PRO HD3 . . 3.570 3.337 3.249 3.439 . 0 0 "[ . 1 . 2]" 1
630 1 49 SER QB 1 51 SER H . . 3.410 2.620 2.305 3.106 . 0 0 "[ . 1 . 2]" 1
631 1 49 SER QB 1 51 SER HG . . 4.230 3.149 2.376 4.202 . 0 0 "[ . 1 . 2]" 1
632 1 49 SER QB 1 52 GLY H . . 4.140 3.124 2.411 3.957 . 0 0 "[ . 1 . 2]" 1
633 1 49 SER QB 1 53 ARG H . . 4.070 2.861 2.005 3.661 . 0 0 "[ . 1 . 2]" 1
634 1 49 SER QB 1 53 ARG QB . . 3.720 2.561 2.091 3.136 . 0 0 "[ . 1 . 2]" 1
635 1 49 SER QB 1 75 GLU QB . . 4.910 3.535 2.668 4.665 . 0 0 "[ . 1 . 2]" 1
636 1 49 SER QB 1 75 GLU QG . . 4.250 2.758 1.902 3.850 . 0 0 "[ . 1 . 2]" 1
637 1 49 SER HB2 1 50 PRO HD2 . . 3.810 2.828 1.968 3.669 . 0 0 "[ . 1 . 2]" 1
638 1 49 SER HB2 1 52 GLY H . . 4.880 3.333 2.431 4.427 . 0 0 "[ . 1 . 2]" 1
639 1 49 SER HB2 1 53 ARG H . . 4.830 3.186 2.013 4.436 . 0 0 "[ . 1 . 2]" 1
640 1 49 SER HB2 1 53 ARG HB2 . . 5.210 3.062 2.129 4.055 . 0 0 "[ . 1 . 2]" 1
641 1 49 SER HB2 1 53 ARG HB3 . . 5.210 4.255 3.422 5.221 0.011 10 0 "[ . 1 . 2]" 1
642 1 49 SER HB3 1 50 PRO HD2 . . 3.810 2.718 1.997 3.624 . 0 0 "[ . 1 . 2]" 1
643 1 49 SER HB3 1 52 GLY H . . 4.880 3.974 3.295 4.586 . 0 0 "[ . 1 . 2]" 1
644 1 49 SER HB3 1 53 ARG H . . 4.830 3.774 3.189 4.312 . 0 0 "[ . 1 . 2]" 1
645 1 49 SER HB3 1 53 ARG HB2 . . 5.210 3.283 2.590 3.920 . 0 0 "[ . 1 . 2]" 1
646 1 49 SER HB3 1 53 ARG HB3 . . 5.210 4.284 3.413 5.096 . 0 0 "[ . 1 . 2]" 1
647 1 50 PRO QB 1 51 SER H . . 3.800 3.693 3.596 3.749 . 0 0 "[ . 1 . 2]" 1
648 1 50 PRO QB 1 77 GLY HA3 . . 4.430 2.978 2.540 3.342 . 0 0 "[ . 1 . 2]" 1
649 1 50 PRO QB 1 78 VAL H . . 4.380 2.447 1.888 2.888 . 0 0 "[ . 1 . 2]" 1
650 1 50 PRO HB2 1 51 SER H . . 4.620 3.931 3.809 4.001 . 0 0 "[ . 1 . 2]" 1
651 1 50 PRO HB3 1 51 SER H . . 4.620 4.485 4.416 4.525 . 0 0 "[ . 1 . 2]" 1
652 1 50 PRO HD2 1 51 SER H . . 4.080 2.987 2.851 3.080 . 0 0 "[ . 1 . 2]" 1
653 1 50 PRO HD2 1 75 GLU HB2 . . 4.470 3.716 3.214 4.299 . 0 0 "[ . 1 . 2]" 1
654 1 50 PRO HD2 1 75 GLU QB . . 3.900 2.501 1.981 3.757 . 0 0 "[ . 1 . 2]" 1
655 1 50 PRO HD2 1 75 GLU HB3 . . 4.470 2.591 1.999 4.152 . 0 0 "[ . 1 . 2]" 1
656 1 50 PRO HD2 1 75 GLU HG2 . . 4.910 2.956 1.995 4.537 . 0 0 "[ . 1 . 2]" 1
657 1 50 PRO HD2 1 75 GLU QG . . 4.300 2.428 1.861 3.359 . 0 0 "[ . 1 . 2]" 1
658 1 50 PRO HD2 1 75 GLU HG3 . . 4.910 2.885 2.146 4.421 . 0 0 "[ . 1 . 2]" 1
659 1 50 PRO HD3 1 75 GLU QB . . 4.720 2.816 2.250 3.599 . 0 0 "[ . 1 . 2]" 1
660 1 50 PRO HD3 1 75 GLU QG . . 3.620 2.490 1.958 3.531 . 0 0 "[ . 1 . 2]" 1
661 1 50 PRO HD3 1 79 HIS HA . . 4.390 3.346 2.945 3.641 . 0 0 "[ . 1 . 2]" 1
662 1 50 PRO HD3 1 79 HIS HE1 . . 5.500 5.395 5.114 5.506 0.006 10 0 "[ . 1 . 2]" 1
663 1 50 PRO HG2 1 51 SER H . . 4.770 3.285 3.064 3.418 . 0 0 "[ . 1 . 2]" 1
664 1 50 PRO HG2 1 51 SER HB3 . . 3.980 3.796 3.632 3.947 . 0 0 "[ . 1 . 2]" 1
665 1 50 PRO HG2 1 77 GLY HA2 . . 4.760 4.710 4.530 4.762 0.002 3 0 "[ . 1 . 2]" 1
666 1 50 PRO HG2 1 78 VAL H . . 4.370 4.076 3.801 4.363 . 0 0 "[ . 1 . 2]" 1
667 1 50 PRO HG3 1 77 GLY HA2 . . 4.890 3.699 3.576 3.846 . 0 0 "[ . 1 . 2]" 1
668 1 50 PRO HG3 1 78 VAL H . . 3.980 2.592 2.328 2.971 . 0 0 "[ . 1 . 2]" 1
669 1 50 PRO HG3 1 79 HIS HD1 . . 4.960 4.715 4.248 4.945 . 0 0 "[ . 1 . 2]" 1
670 1 51 SER H 1 51 SER HB3 . . 3.520 2.855 2.523 3.093 . 0 0 "[ . 1 . 2]" 1
671 1 51 SER H 1 51 SER HG . . 3.880 2.939 2.050 3.638 . 0 0 "[ . 1 . 2]" 1
672 1 51 SER H 1 53 ARG H . . 4.460 3.508 3.215 3.795 . 0 0 "[ . 1 . 2]" 1
673 1 51 SER HB2 1 52 GLY H . . 4.840 3.908 3.166 4.295 . 0 0 "[ . 1 . 2]" 1
674 1 51 SER HB2 1 53 ARG H . . 5.300 4.450 3.932 5.255 . 0 0 "[ . 1 . 2]" 1
675 1 51 SER HB3 1 52 GLY H . . 4.370 3.991 3.523 4.269 . 0 0 "[ . 1 . 2]" 1
676 1 51 SER HG 1 52 GLY H . . 4.920 3.125 2.250 4.166 . 0 0 "[ . 1 . 2]" 1
677 1 51 SER HG 1 53 ARG H . . 3.980 3.019 1.914 3.856 . 0 0 "[ . 1 . 2]" 1
678 1 52 GLY H 1 52 GLY HA2 . . 2.890 2.564 2.425 2.764 . 0 0 "[ . 1 . 2]" 1
679 1 52 GLY H 1 53 ARG H . . 3.050 2.057 1.780 2.453 . 0 0 "[ . 1 . 2]" 1
680 1 52 GLY H 1 53 ARG QB . . 4.400 3.811 3.332 4.040 . 0 0 "[ . 1 . 2]" 1
681 1 53 ARG H 1 53 ARG HB2 . . 3.660 2.266 2.177 2.424 . 0 0 "[ . 1 . 2]" 1
682 1 53 ARG H 1 53 ARG QB . . 2.860 2.240 2.156 2.387 . 0 0 "[ . 1 . 2]" 1
683 1 53 ARG H 1 53 ARG HB3 . . 3.660 3.527 3.482 3.612 . 0 0 "[ . 1 . 2]" 1
684 1 53 ARG H 1 53 ARG QD . . 4.480 3.497 2.182 4.458 . 0 0 "[ . 1 . 2]" 1
685 1 53 ARG H 1 53 ARG QG . . 3.580 3.263 2.775 3.571 . 0 0 "[ . 1 . 2]" 1
686 1 53 ARG H 1 54 VAL H . . 4.770 4.578 4.495 4.643 . 0 0 "[ . 1 . 2]" 1
687 1 53 ARG HA 1 53 ARG QD . . 4.130 3.480 2.028 4.081 . 0 0 "[ . 1 . 2]" 1
688 1 53 ARG HA 1 53 ARG HG2 . . 4.050 2.918 2.457 3.617 . 0 0 "[ . 1 . 2]" 1
689 1 53 ARG HA 1 53 ARG QG . . 3.540 2.312 2.174 2.554 . 0 0 "[ . 1 . 2]" 1
690 1 53 ARG HA 1 53 ARG HG3 . . 4.050 2.607 2.196 3.637 . 0 0 "[ . 1 . 2]" 1
691 1 53 ARG HA 1 54 VAL H . . 2.700 2.279 2.167 2.329 . 0 0 "[ . 1 . 2]" 1
692 1 53 ARG HA 1 54 VAL HB . . 4.590 4.549 4.462 4.588 . 0 0 "[ . 1 . 2]" 1
693 1 53 ARG HA 1 54 VAL MG2 . . 3.820 3.525 3.383 3.673 . 0 0 "[ . 1 . 2]" 1
694 1 53 ARG QB 1 53 ARG QD . . 3.480 2.253 2.056 2.645 . 0 0 "[ . 1 . 2]" 1
695 1 53 ARG QB 1 54 VAL H . . 3.720 2.788 2.643 3.191 . 0 0 "[ . 1 . 2]" 1
696 1 53 ARG QD 1 54 VAL H . . 5.160 4.647 2.513 5.161 0.001 8 0 "[ . 1 . 2]" 1
697 1 53 ARG QG 1 54 VAL H . . 4.060 3.519 3.309 4.029 . 0 0 "[ . 1 . 2]" 1
698 1 53 ARG HG2 1 54 VAL H . . 4.660 4.020 3.423 4.647 . 0 0 "[ . 1 . 2]" 1
699 1 53 ARG HG3 1 54 VAL H . . 4.660 4.195 3.514 4.662 0.002 18 0 "[ . 1 . 2]" 1
700 1 54 VAL H 1 54 VAL HB . . 3.040 2.699 2.551 2.783 . 0 0 "[ . 1 . 2]" 1
701 1 54 VAL H 1 54 VAL MG1 . . 4.050 3.871 3.802 3.912 . 0 0 "[ . 1 . 2]" 1
702 1 54 VAL H 1 54 VAL MG2 . . 3.270 2.893 2.617 3.027 . 0 0 "[ . 1 . 2]" 1
703 1 54 VAL H 1 55 THR H . . 4.910 4.357 4.172 4.504 . 0 0 "[ . 1 . 2]" 1
704 1 54 VAL HA 1 54 VAL MG1 . . 3.190 2.335 2.263 2.490 . 0 0 "[ . 1 . 2]" 1
705 1 54 VAL HA 1 54 VAL MG2 . . 3.240 2.321 2.225 2.452 . 0 0 "[ . 1 . 2]" 1
706 1 54 VAL HA 1 55 THR H . . 2.750 2.182 2.141 2.248 . 0 0 "[ . 1 . 2]" 1
707 1 54 VAL HA 1 55 THR HA . . 4.510 4.394 4.382 4.414 . 0 0 "[ . 1 . 2]" 1
708 1 54 VAL HB 1 55 THR H . . 4.450 4.084 3.876 4.355 . 0 0 "[ . 1 . 2]" 1
709 1 54 VAL MG1 1 55 THR H . . 3.310 2.304 1.915 2.736 . 0 0 "[ . 1 . 2]" 1
710 1 54 VAL MG2 1 55 THR H . . 4.010 3.951 3.853 4.010 . 0 0 "[ . 1 . 2]" 1
711 1 55 THR H 1 55 THR HB . . 3.740 3.149 2.706 3.741 0.001 16 0 "[ . 1 . 2]" 1
712 1 55 THR H 1 55 THR HG1 . . 4.960 2.842 1.927 3.725 . 0 0 "[ . 1 . 2]" 1
713 1 55 THR H 1 55 THR MG . . 3.950 3.540 2.635 3.938 . 0 0 "[ . 1 . 2]" 1
714 1 55 THR H 1 56 GLU H . . 4.750 4.495 4.436 4.551 . 0 0 "[ . 1 . 2]" 1
715 1 55 THR HA 1 55 THR MG . . 3.150 2.208 2.044 2.414 . 0 0 "[ . 1 . 2]" 1
716 1 55 THR HA 1 56 GLU H . . 3.070 2.424 2.190 2.644 . 0 0 "[ . 1 . 2]" 1
717 1 55 THR HB 1 56 GLU H . . 3.510 2.950 1.933 3.511 0.001 14 0 "[ . 1 . 2]" 1
718 1 55 THR MG 1 56 GLU H . . 3.760 2.468 1.800 3.696 . 0 0 "[ . 1 . 2]" 1
719 1 56 GLU H 1 56 GLU HB2 . . 3.460 2.921 2.546 3.270 . 0 0 "[ . 1 . 2]" 1
720 1 56 GLU H 1 56 GLU QB . . 3.010 2.406 2.292 2.499 . 0 0 "[ . 1 . 2]" 1
721 1 56 GLU H 1 56 GLU HB3 . . 3.460 2.592 2.340 2.880 . 0 0 "[ . 1 . 2]" 1
722 1 56 GLU H 1 56 GLU HG2 . . 4.780 4.488 4.245 4.723 . 0 0 "[ . 1 . 2]" 1
723 1 56 GLU H 1 56 GLU QG . . 4.190 4.040 3.936 4.129 . 0 0 "[ . 1 . 2]" 1
724 1 56 GLU H 1 56 GLU HG3 . . 4.780 4.608 4.241 4.786 0.006 18 0 "[ . 1 . 2]" 1
725 1 56 GLU H 1 57 ALA H . . 4.910 4.486 4.367 4.567 . 0 0 "[ . 1 . 2]" 1
726 1 56 GLU H 1 57 ALA MB . . 5.500 5.152 4.958 5.449 . 0 0 "[ . 1 . 2]" 1
727 1 56 GLU HA 1 56 GLU HG2 . . 3.900 3.061 2.494 3.867 . 0 0 "[ . 1 . 2]" 1
728 1 56 GLU HA 1 56 GLU HG3 . . 3.900 2.743 2.309 3.738 . 0 0 "[ . 1 . 2]" 1
729 1 56 GLU HA 1 57 ALA H . . 2.770 2.218 2.153 2.299 . 0 0 "[ . 1 . 2]" 1
730 1 56 GLU HA 1 57 ALA MB . . 4.160 3.909 3.861 3.956 . 0 0 "[ . 1 . 2]" 1
731 1 56 GLU QB 1 57 ALA H . . 3.760 3.569 3.387 3.733 . 0 0 "[ . 1 . 2]" 1
732 1 56 GLU HB2 1 57 ALA H . . 4.390 4.076 3.681 4.243 . 0 0 "[ . 1 . 2]" 1
733 1 56 GLU HB3 1 57 ALA H . . 4.390 3.966 3.582 4.280 . 0 0 "[ . 1 . 2]" 1
734 1 56 GLU HG2 1 57 ALA H . . 4.040 2.742 2.039 3.873 . 0 0 "[ . 1 . 2]" 1
735 1 56 GLU HG3 1 57 ALA H . . 4.040 3.021 2.215 3.964 . 0 0 "[ . 1 . 2]" 1
736 1 57 ALA H 1 57 ALA MB . . 3.050 2.420 2.245 2.546 . 0 0 "[ . 1 . 2]" 1
737 1 57 ALA HA 1 58 GLU H . . 3.160 2.366 2.247 2.408 . 0 0 "[ . 1 . 2]" 1
738 1 57 ALA HA 1 71 PHE QB . . 4.120 3.086 2.794 3.412 . 0 0 "[ . 1 . 2]" 1
739 1 57 ALA MB 1 58 GLU H . . 3.030 2.481 2.371 2.765 . 0 0 "[ . 1 . 2]" 1
740 1 57 ALA MB 1 59 ILE H . . 5.500 5.191 4.958 5.436 . 0 0 "[ . 1 . 2]" 1
741 1 57 ALA MB 1 69 VAL MG1 . . 2.740 2.054 1.794 2.437 . 0 0 "[ . 1 . 2]" 1
742 1 57 ALA MB 1 70 ARG H . . 4.540 4.345 4.008 4.538 . 0 0 "[ . 1 . 2]" 1
743 1 57 ALA MB 1 71 PHE QB . . 3.320 2.546 2.067 2.939 . 0 0 "[ . 1 . 2]" 1
744 1 57 ALA MB 1 71 PHE QD . . 4.060 2.585 1.977 3.441 . 0 0 "[ . 1 . 2]" 1
745 1 58 GLU H 1 58 GLU HB2 . . 3.170 2.913 2.666 3.150 . 0 0 "[ . 1 . 2]" 1
746 1 58 GLU H 1 58 GLU HB3 . . 3.170 2.559 2.454 2.703 . 0 0 "[ . 1 . 2]" 1
747 1 58 GLU H 1 58 GLU HG2 . . 5.000 4.577 4.319 4.875 . 0 0 "[ . 1 . 2]" 1
748 1 58 GLU H 1 58 GLU QG . . 4.310 4.052 3.951 4.181 . 0 0 "[ . 1 . 2]" 1
749 1 58 GLU H 1 58 GLU HG3 . . 5.000 4.545 4.294 4.847 . 0 0 "[ . 1 . 2]" 1
750 1 58 GLU H 1 59 ILE H . . 4.570 4.508 4.426 4.568 . 0 0 "[ . 1 . 2]" 1
751 1 58 GLU H 1 69 VAL MG1 . . 4.450 3.166 2.702 3.792 . 0 0 "[ . 1 . 2]" 1
752 1 58 GLU H 1 69 VAL MG2 . . 5.280 4.881 4.284 5.181 . 0 0 "[ . 1 . 2]" 1
753 1 58 GLU H 1 70 ARG H . . 4.120 3.906 3.657 4.118 . 0 0 "[ . 1 . 2]" 1
754 1 58 GLU H 1 71 PHE QB . . 4.360 3.517 3.258 4.065 . 0 0 "[ . 1 . 2]" 1
755 1 58 GLU HA 1 58 GLU HG2 . . 4.220 3.486 2.448 3.872 . 0 0 "[ . 1 . 2]" 1
756 1 58 GLU HA 1 58 GLU QG . . 3.670 2.664 2.374 3.020 . 0 0 "[ . 1 . 2]" 1
757 1 58 GLU HA 1 58 GLU HG3 . . 4.220 2.824 2.420 3.600 . 0 0 "[ . 1 . 2]" 1
758 1 58 GLU HA 1 59 ILE H . . 2.670 2.237 2.176 2.349 . 0 0 "[ . 1 . 2]" 1
759 1 58 GLU HA 1 59 ILE HB . . 4.940 4.655 4.561 4.753 . 0 0 "[ . 1 . 2]" 1
760 1 58 GLU HA 1 59 ILE HG12 . . 5.500 5.001 4.736 5.272 . 0 0 "[ . 1 . 2]" 1
761 1 58 GLU HA 1 59 ILE HG13 . . 4.460 3.483 3.293 3.705 . 0 0 "[ . 1 . 2]" 1
762 1 58 GLU HA 1 60 VAL MG2 . . 5.500 5.303 4.964 5.504 0.004 18 0 "[ . 1 . 2]" 1
763 1 58 GLU QB 1 58 GLU QG . . 2.350 2.032 1.953 2.085 . 0 0 "[ . 1 . 2]" 1
764 1 58 GLU QB 1 59 ILE H . . 3.680 3.542 3.317 3.675 . 0 0 "[ . 1 . 2]" 1
765 1 58 GLU HB2 1 59 ILE H . . 4.250 4.037 3.929 4.137 . 0 0 "[ . 1 . 2]" 1
766 1 58 GLU HB3 1 59 ILE H . . 4.250 3.930 3.564 4.183 . 0 0 "[ . 1 . 2]" 1
767 1 58 GLU QG 1 60 VAL MG2 . . 3.890 2.880 2.198 3.789 . 0 0 "[ . 1 . 2]" 1
768 1 58 GLU HG2 1 59 ILE H . . 4.070 3.423 2.208 4.072 0.002 7 0 "[ . 1 . 2]" 1
769 1 58 GLU HG2 1 60 VAL MG2 . . 4.550 3.302 2.215 4.354 . 0 0 "[ . 1 . 2]" 1
770 1 58 GLU HG3 1 59 ILE H . . 4.070 2.526 2.160 3.868 . 0 0 "[ . 1 . 2]" 1
771 1 58 GLU HG3 1 60 VAL MG2 . . 4.550 3.648 2.726 4.410 . 0 0 "[ . 1 . 2]" 1
772 1 59 ILE H 1 59 ILE HB . . 3.190 2.627 2.501 2.733 . 0 0 "[ . 1 . 2]" 1
773 1 59 ILE H 1 59 ILE MD . . 4.090 3.712 3.418 4.018 . 0 0 "[ . 1 . 2]" 1
774 1 59 ILE H 1 59 ILE HG12 . . 4.220 3.914 3.576 4.123 . 0 0 "[ . 1 . 2]" 1
775 1 59 ILE H 1 59 ILE HG13 . . 3.500 2.614 2.387 2.803 . 0 0 "[ . 1 . 2]" 1
776 1 59 ILE H 1 59 ILE MG . . 4.000 3.843 3.786 3.890 . 0 0 "[ . 1 . 2]" 1
777 1 59 ILE H 1 60 VAL H . . 4.790 4.150 3.826 4.461 . 0 0 "[ . 1 . 2]" 1
778 1 59 ILE HA 1 59 ILE MD . . 3.950 3.884 3.755 3.930 . 0 0 "[ . 1 . 2]" 1
779 1 59 ILE HA 1 59 ILE HG12 . . 4.030 2.687 2.461 2.827 . 0 0 "[ . 1 . 2]" 1
780 1 59 ILE HA 1 59 ILE HG13 . . 4.070 2.922 2.714 3.195 . 0 0 "[ . 1 . 2]" 1
781 1 59 ILE HA 1 59 ILE MG . . 3.250 2.339 2.245 2.465 . 0 0 "[ . 1 . 2]" 1
782 1 59 ILE HA 1 60 VAL H . . 3.150 2.187 2.141 2.304 . 0 0 "[ . 1 . 2]" 1
783 1 59 ILE HA 1 60 VAL HB . . 5.140 4.717 4.565 4.868 . 0 0 "[ . 1 . 2]" 1
784 1 59 ILE HA 1 60 VAL MG2 . . 4.190 3.718 3.393 4.082 . 0 0 "[ . 1 . 2]" 1
785 1 59 ILE HA 1 69 VAL HA . . 4.390 2.673 2.436 3.252 . 0 0 "[ . 1 . 2]" 1
786 1 59 ILE HA 1 69 VAL MG2 . . 4.110 2.638 2.263 3.132 . 0 0 "[ . 1 . 2]" 1
787 1 59 ILE HB 1 59 ILE MD . . 3.090 2.323 2.146 2.499 . 0 0 "[ . 1 . 2]" 1
788 1 59 ILE HB 1 60 VAL H . . 4.860 4.336 3.999 4.479 . 0 0 "[ . 1 . 2]" 1
789 1 59 ILE MD 1 67 HIS HB3 . . 4.720 4.378 3.944 4.718 . 0 0 "[ . 1 . 2]" 1
790 1 59 ILE HG13 1 59 ILE MG . . 3.630 3.182 3.138 3.200 . 0 0 "[ . 1 . 2]" 1
791 1 59 ILE HG13 1 69 VAL MG2 . . 3.790 3.201 2.677 3.784 . 0 0 "[ . 1 . 2]" 1
792 1 59 ILE MG 1 60 VAL H . . 3.700 3.068 2.390 3.460 . 0 0 "[ . 1 . 2]" 1
793 1 59 ILE MG 1 67 HIS HB2 . . 3.920 3.561 3.273 3.780 . 0 0 "[ . 1 . 2]" 1
794 1 59 ILE MG 1 67 HIS HB3 . . 3.460 2.221 1.985 2.419 . 0 0 "[ . 1 . 2]" 1
795 1 59 ILE MG 1 67 HIS HD2 . . 5.210 4.840 4.480 5.134 . 0 0 "[ . 1 . 2]" 1
796 1 59 ILE MG 1 68 CYS H . . 4.240 3.125 2.695 3.434 . 0 0 "[ . 1 . 2]" 1
797 1 60 VAL H 1 60 VAL HB . . 3.670 2.617 2.431 2.754 . 0 0 "[ . 1 . 2]" 1
798 1 60 VAL H 1 60 VAL MG1 . . 4.430 3.791 3.754 3.857 . 0 0 "[ . 1 . 2]" 1
799 1 60 VAL H 1 60 VAL MG2 . . 3.490 2.248 1.920 2.724 . 0 0 "[ . 1 . 2]" 1
800 1 60 VAL H 1 61 PRO HD2 . . 4.840 4.806 4.744 4.841 0.001 2 0 "[ . 1 . 2]" 1
801 1 60 VAL H 1 68 CYS H . . 3.980 3.467 2.894 3.908 . 0 0 "[ . 1 . 2]" 1
802 1 60 VAL H 1 68 CYS HB3 . . 4.640 3.887 3.510 4.211 . 0 0 "[ . 1 . 2]" 1
803 1 60 VAL H 1 69 VAL HA . . 4.790 3.171 2.873 3.659 . 0 0 "[ . 1 . 2]" 1
804 1 60 VAL HA 1 60 VAL MG1 . . 3.380 2.347 2.190 2.462 . 0 0 "[ . 1 . 2]" 1
805 1 60 VAL HA 1 60 VAL MG2 . . 3.360 2.430 2.279 2.526 . 0 0 "[ . 1 . 2]" 1
806 1 60 VAL HA 1 61 PRO HD2 . . 3.130 2.083 1.992 2.176 . 0 0 "[ . 1 . 2]" 1
807 1 60 VAL HA 1 61 PRO HD3 . . 3.160 2.271 2.253 2.310 . 0 0 "[ . 1 . 2]" 1
808 1 60 VAL HA 1 61 PRO HG2 . . 4.550 4.259 4.188 4.332 . 0 0 "[ . 1 . 2]" 1
809 1 60 VAL HA 1 61 PRO QG . . 3.900 3.826 3.785 3.871 . 0 0 "[ . 1 . 2]" 1
810 1 60 VAL HA 1 61 PRO HG3 . . 4.550 4.331 4.315 4.359 . 0 0 "[ . 1 . 2]" 1
811 1 60 VAL HB 1 61 PRO HD2 . . 4.300 4.048 3.821 4.266 . 0 0 "[ . 1 . 2]" 1
812 1 60 VAL HB 1 67 HIS HA . . 5.500 5.339 4.900 5.503 0.003 9 0 "[ . 1 . 2]" 1
813 1 60 VAL HB 1 68 CYS H . . 4.380 3.556 3.267 3.769 . 0 0 "[ . 1 . 2]" 1
814 1 60 VAL HB 1 68 CYS HB2 . . 4.010 3.969 3.810 4.015 0.005 18 0 "[ . 1 . 2]" 1
815 1 60 VAL HB 1 68 CYS HB3 . . 3.510 2.543 2.090 2.771 . 0 0 "[ . 1 . 2]" 1
816 1 60 VAL MG1 1 61 PRO HD2 . . 3.310 1.925 1.806 2.133 . 0 0 "[ . 1 . 2]" 1
817 1 60 VAL MG1 1 61 PRO HD3 . . 3.810 3.290 3.141 3.466 . 0 0 "[ . 1 . 2]" 1
818 1 60 VAL MG2 1 61 PRO HD2 . . 3.980 3.616 3.352 3.806 . 0 0 "[ . 1 . 2]" 1
819 1 60 VAL MG2 1 68 CYS HB2 . . 5.180 5.001 4.664 5.171 . 0 0 "[ . 1 . 2]" 1
820 1 60 VAL MG2 1 68 CYS HB3 . . 4.040 3.567 3.113 3.807 . 0 0 "[ . 1 . 2]" 1
821 1 60 VAL MG2 1 70 ARG H . . 4.380 3.447 2.988 3.878 . 0 0 "[ . 1 . 2]" 1
822 1 60 VAL MG2 1 70 ARG HB2 . . 4.850 4.107 3.035 4.827 . 0 0 "[ . 1 . 2]" 1
823 1 60 VAL MG2 1 70 ARG QB . . 4.020 3.406 2.967 3.813 . 0 0 "[ . 1 . 2]" 1
824 1 60 VAL MG2 1 70 ARG HB3 . . 4.850 4.006 3.174 4.850 . 0 0 "[ . 1 . 2]" 1
825 1 60 VAL MG2 1 70 ARG HD2 . . 4.180 2.921 2.121 4.004 . 0 0 "[ . 1 . 2]" 1
826 1 60 VAL MG2 1 70 ARG QD . . 3.560 2.402 1.968 2.943 . 0 0 "[ . 1 . 2]" 1
827 1 60 VAL MG2 1 70 ARG HD3 . . 4.180 3.127 2.061 4.134 . 0 0 "[ . 1 . 2]" 1
828 1 60 VAL MG2 1 70 ARG HE . . 4.550 3.509 1.857 4.538 . 0 0 "[ . 1 . 2]" 1
829 1 61 PRO HA 1 62 MET H . . 3.000 2.216 2.152 2.404 . 0 0 "[ . 1 . 2]" 1
830 1 61 PRO HA 1 63 GLY H . . 4.790 4.303 3.727 4.631 . 0 0 "[ . 1 . 2]" 1
831 1 61 PRO HA 1 67 HIS HA . . 4.710 3.759 3.077 4.508 . 0 0 "[ . 1 . 2]" 1
832 1 61 PRO QB 1 62 MET H . . 3.920 3.603 3.189 3.902 . 0 0 "[ . 1 . 2]" 1
833 1 61 PRO QB 1 63 GLY H . . 5.340 4.543 3.016 5.265 . 0 0 "[ . 1 . 2]" 1
834 1 61 PRO HB2 1 62 MET H . . 4.640 3.888 3.383 4.249 . 0 0 "[ . 1 . 2]" 1
835 1 61 PRO HB3 1 62 MET H . . 4.640 4.260 3.902 4.545 . 0 0 "[ . 1 . 2]" 1
836 1 62 MET H 1 62 MET HB2 . . 3.750 2.348 2.182 2.621 . 0 0 "[ . 1 . 2]" 1
837 1 62 MET H 1 62 MET HB3 . . 3.750 3.591 3.485 3.751 0.001 3 0 "[ . 1 . 2]" 1
838 1 62 MET H 1 62 MET HG2 . . 3.960 3.339 2.658 3.895 . 0 0 "[ . 1 . 2]" 1
839 1 62 MET H 1 62 MET HG3 . . 3.960 3.351 2.675 3.973 0.013 6 0 "[ . 1 . 2]" 1
840 1 62 MET H 1 67 HIS HA . . 3.530 2.795 2.142 3.442 . 0 0 "[ . 1 . 2]" 1
841 1 62 MET H 1 68 CYS H . . 4.660 3.865 3.227 4.668 0.008 3 0 "[ . 1 . 2]" 1
842 1 62 MET HA 1 62 MET HG2 . . 4.060 2.478 2.164 3.039 . 0 0 "[ . 1 . 2]" 1
843 1 62 MET HA 1 62 MET HG3 . . 4.060 3.384 2.998 3.807 . 0 0 "[ . 1 . 2]" 1
844 1 62 MET QB 1 62 MET QG . . 2.340 2.043 1.990 2.086 . 0 0 "[ . 1 . 2]" 1
845 1 62 MET QB 1 63 GLY H . . 3.990 2.445 1.959 3.908 . 0 0 "[ . 1 . 2]" 1
846 1 62 MET QB 1 66 SER QB . . 3.270 2.147 1.854 3.195 . 0 0 "[ . 1 . 2]" 1
847 1 62 MET QB 1 68 CYS HB2 . . 4.850 4.014 3.395 4.414 . 0 0 "[ . 1 . 2]" 1
848 1 62 MET HB2 1 66 SER HB2 . . 4.410 2.956 2.272 4.097 . 0 0 "[ . 1 . 2]" 1
849 1 62 MET HB2 1 66 SER HB3 . . 4.410 2.622 2.131 4.009 . 0 0 "[ . 1 . 2]" 1
850 1 62 MET HB3 1 66 SER HB2 . . 4.410 3.171 2.294 4.022 . 0 0 "[ . 1 . 2]" 1
851 1 62 MET HB3 1 66 SER HB3 . . 4.410 2.846 2.071 4.411 0.001 11 0 "[ . 1 . 2]" 1
852 1 62 MET ME 1 62 MET QG . . 3.420 2.085 1.962 2.292 . 0 0 "[ . 1 . 2]" 1
853 1 62 MET ME 1 68 CYS HB2 . . 4.050 2.543 1.852 3.275 . 0 0 "[ . 1 . 2]" 1
854 1 62 MET ME 1 68 CYS HB3 . . 4.180 3.267 2.221 3.979 . 0 0 "[ . 1 . 2]" 1
855 1 62 MET QG 1 63 GLY H . . 5.340 4.109 3.713 4.671 . 0 0 "[ . 1 . 2]" 1
856 1 62 MET QG 1 67 HIS HA . . 4.130 2.903 2.351 4.019 . 0 0 "[ . 1 . 2]" 1
857 1 62 MET QG 1 68 CYS HB2 . . 3.540 2.174 1.825 2.785 . 0 0 "[ . 1 . 2]" 1
858 1 62 MET HG2 1 67 HIS HA . . 4.790 3.995 2.518 4.793 0.003 19 0 "[ . 1 . 2]" 1
859 1 62 MET HG2 1 68 CYS H . . 4.470 3.716 2.493 4.458 . 0 0 "[ . 1 . 2]" 1
860 1 62 MET HG2 1 68 CYS HB2 . . 4.210 2.837 2.069 3.617 . 0 0 "[ . 1 . 2]" 1
861 1 62 MET HG2 1 68 CYS HB3 . . 4.250 3.537 2.786 4.097 . 0 0 "[ . 1 . 2]" 1
862 1 62 MET HG3 1 67 HIS HA . . 4.790 3.135 2.493 4.721 . 0 0 "[ . 1 . 2]" 1
863 1 62 MET HG3 1 68 CYS H . . 4.470 3.044 2.481 4.157 . 0 0 "[ . 1 . 2]" 1
864 1 62 MET HG3 1 68 CYS HB2 . . 4.210 2.297 2.007 2.896 . 0 0 "[ . 1 . 2]" 1
865 1 62 MET HG3 1 68 CYS HB3 . . 4.250 3.404 2.492 3.866 . 0 0 "[ . 1 . 2]" 1
866 1 64 LYS HA 1 64 LYS QD . . 4.530 4.020 2.423 4.442 . 0 0 "[ . 1 . 2]" 1
867 1 64 LYS HA 1 64 LYS HG2 . . 4.080 3.309 2.286 3.766 . 0 0 "[ . 1 . 2]" 1
868 1 64 LYS HA 1 64 LYS QG . . 3.470 2.835 2.139 3.343 . 0 0 "[ . 1 . 2]" 1
869 1 64 LYS HA 1 64 LYS HG3 . . 4.080 3.210 2.174 3.927 . 0 0 "[ . 1 . 2]" 1
870 1 64 LYS HA 1 65 ASN HA . . 4.920 4.402 4.321 4.543 . 0 0 "[ . 1 . 2]" 1
871 1 64 LYS HA 1 66 SER H . . 4.280 3.948 3.347 4.307 0.027 11 0 "[ . 1 . 2]" 1
872 1 64 LYS QG 1 65 ASN QB . . 4.380 3.576 2.390 4.376 . 0 0 "[ . 1 . 2]" 1
873 1 65 ASN H 1 66 SER H . . 3.810 2.832 2.299 3.380 . 0 0 "[ . 1 . 2]" 1
874 1 65 ASN HA 1 66 SER H . . 3.560 2.879 2.706 3.444 . 0 0 "[ . 1 . 2]" 1
875 1 65 ASN QB 1 65 ASN QD . . 3.070 2.160 2.066 2.465 . 0 0 "[ . 1 . 2]" 1
876 1 65 ASN HB2 1 66 SER H . . 5.040 4.374 3.999 4.590 . 0 0 "[ . 1 . 2]" 1
877 1 65 ASN HB3 1 66 SER H . . 5.040 4.526 4.043 4.662 . 0 0 "[ . 1 . 2]" 1
878 1 66 SER H 1 66 SER HB2 . . 3.800 2.736 2.203 3.690 . 0 0 "[ . 1 . 2]" 1
879 1 66 SER H 1 66 SER QB . . 3.160 2.586 2.182 3.138 . 0 0 "[ . 1 . 2]" 1
880 1 66 SER H 1 66 SER HB3 . . 3.800 3.584 2.589 3.801 0.001 15 0 "[ . 1 . 2]" 1
881 1 66 SER H 1 67 HIS H . . 4.560 4.399 4.194 4.580 0.020 14 0 "[ . 1 . 2]" 1
882 1 66 SER HA 1 67 HIS H . . 2.830 2.215 2.139 2.308 . 0 0 "[ . 1 . 2]" 1
883 1 66 SER HA 1 67 HIS HA . . 4.470 4.440 4.394 4.473 0.003 1 0 "[ . 1 . 2]" 1
884 1 66 SER HA 1 67 HIS HD2 . . 4.640 3.739 3.112 4.346 . 0 0 "[ . 1 . 2]" 1
885 1 66 SER QB 1 67 HIS H . . 3.690 3.027 2.622 3.591 . 0 0 "[ . 1 . 2]" 1
886 1 66 SER HB2 1 67 HIS H . . 4.460 4.049 2.861 4.369 . 0 0 "[ . 1 . 2]" 1
887 1 66 SER HB3 1 67 HIS H . . 4.460 3.193 2.669 4.069 . 0 0 "[ . 1 . 2]" 1
888 1 67 HIS H 1 67 HIS HB2 . . 3.600 2.792 2.510 2.905 . 0 0 "[ . 1 . 2]" 1
889 1 67 HIS H 1 67 HIS HB3 . . 4.070 3.856 3.693 3.928 . 0 0 "[ . 1 . 2]" 1
890 1 67 HIS H 1 67 HIS HD2 . . 4.060 3.673 3.240 4.011 . 0 0 "[ . 1 . 2]" 1
891 1 67 HIS HA 1 68 CYS H . . 3.240 2.224 2.180 2.320 . 0 0 "[ . 1 . 2]" 1
892 1 67 HIS HB2 1 68 CYS H . . 4.320 4.064 3.833 4.197 . 0 0 "[ . 1 . 2]" 1
893 1 67 HIS HB3 1 68 CYS H . . 3.730 2.955 2.641 3.121 . 0 0 "[ . 1 . 2]" 1
894 1 67 HIS HB3 1 68 CYS HA . . 4.480 4.433 4.352 4.478 . 0 0 "[ . 1 . 2]" 1
895 1 68 CYS H 1 68 CYS HB2 . . 3.840 2.921 2.768 3.208 . 0 0 "[ . 1 . 2]" 1
896 1 68 CYS H 1 68 CYS HB3 . . 3.750 2.891 2.510 3.021 . 0 0 "[ . 1 . 2]" 1
897 1 68 CYS HA 1 69 VAL H . . 3.110 2.166 2.139 2.210 . 0 0 "[ . 1 . 2]" 1
898 1 68 CYS HA 1 69 VAL HB . . 4.820 4.600 4.403 4.802 . 0 0 "[ . 1 . 2]" 1
899 1 68 CYS HA 1 69 VAL MG2 . . 4.220 3.671 3.158 4.139 . 0 0 "[ . 1 . 2]" 1
900 1 68 CYS HB2 1 69 VAL H . . 4.550 4.356 4.207 4.537 . 0 0 "[ . 1 . 2]" 1
901 1 68 CYS HB3 1 69 VAL H . . 4.610 3.998 3.710 4.472 . 0 0 "[ . 1 . 2]" 1
902 1 69 VAL H 1 69 VAL HB . . 3.710 2.569 2.378 2.794 . 0 0 "[ . 1 . 2]" 1
903 1 69 VAL H 1 69 VAL MG2 . . 3.480 2.651 2.224 3.001 . 0 0 "[ . 1 . 2]" 1
904 1 69 VAL HA 1 69 VAL MG1 . . 3.440 2.399 2.238 2.550 . 0 0 "[ . 1 . 2]" 1
905 1 69 VAL HA 1 69 VAL MG2 . . 3.360 2.368 2.124 2.578 . 0 0 "[ . 1 . 2]" 1
906 1 69 VAL HA 1 70 ARG H . . 3.160 2.154 2.140 2.202 . 0 0 "[ . 1 . 2]" 1
907 1 69 VAL HB 1 70 ARG H . . 4.380 4.248 4.117 4.384 0.004 14 0 "[ . 1 . 2]" 1
908 1 69 VAL MG1 1 70 ARG H . . 3.570 2.625 2.197 2.904 . 0 0 "[ . 1 . 2]" 1
909 1 69 VAL MG1 1 70 ARG HA . . 4.710 3.727 3.273 4.099 . 0 0 "[ . 1 . 2]" 1
910 1 69 VAL MG1 1 71 PHE QB . . 4.420 3.281 3.078 3.379 . 0 0 "[ . 1 . 2]" 1
911 1 69 VAL MG1 1 71 PHE QD . . 3.840 1.965 1.835 2.217 . 0 0 "[ . 1 . 2]" 1
912 1 69 VAL MG1 1 71 PHE QE . . 4.130 2.331 1.893 3.057 . 0 0 "[ . 1 . 2]" 1
913 1 69 VAL MG1 1 71 PHE HZ . . 4.730 4.229 3.803 4.683 . 0 0 "[ . 1 . 2]" 1
914 1 69 VAL MG2 1 70 ARG H . . 4.330 4.034 3.728 4.264 . 0 0 "[ . 1 . 2]" 1
915 1 70 ARG H 1 70 ARG HB2 . . 3.780 3.249 2.389 3.786 0.006 5 0 "[ . 1 . 2]" 1
916 1 70 ARG H 1 70 ARG QB . . 3.250 2.767 2.358 3.102 . 0 0 "[ . 1 . 2]" 1
917 1 70 ARG H 1 70 ARG HB3 . . 3.780 3.338 2.833 3.783 0.003 12 0 "[ . 1 . 2]" 1
918 1 70 ARG H 1 70 ARG HD2 . . 4.880 4.535 4.146 4.881 0.001 4 0 "[ . 1 . 2]" 1
919 1 70 ARG H 1 70 ARG QD . . 4.110 4.002 3.641 4.119 0.009 9 0 "[ . 1 . 2]" 1
920 1 70 ARG H 1 70 ARG HD3 . . 4.880 4.540 3.830 4.882 0.002 18 0 "[ . 1 . 2]" 1
921 1 70 ARG H 1 70 ARG HG2 . . 4.270 2.842 1.926 4.097 . 0 0 "[ . 1 . 2]" 1
922 1 70 ARG H 1 70 ARG HG3 . . 4.270 2.909 2.660 3.272 . 0 0 "[ . 1 . 2]" 1
923 1 70 ARG H 1 71 PHE H . . 4.890 4.341 4.246 4.430 . 0 0 "[ . 1 . 2]" 1
924 1 70 ARG HA 1 70 ARG QD . . 5.120 4.245 4.011 4.539 . 0 0 "[ . 1 . 2]" 1
925 1 70 ARG HA 1 70 ARG QG . . 3.510 2.984 2.368 3.344 . 0 0 "[ . 1 . 2]" 1
926 1 70 ARG HA 1 71 PHE H . . 2.940 2.144 2.139 2.153 . 0 0 "[ . 1 . 2]" 1
927 1 70 ARG HA 1 71 PHE QB . . 5.500 4.450 4.389 4.484 . 0 0 "[ . 1 . 2]" 1
928 1 70 ARG HA 1 71 PHE QD . . 4.830 3.806 3.115 4.398 . 0 0 "[ . 1 . 2]" 1
929 1 70 ARG QB 1 70 ARG QD . . 3.180 2.157 2.098 2.344 . 0 0 "[ . 1 . 2]" 1
930 1 70 ARG HB2 1 71 PHE H . . 4.420 3.746 3.310 4.390 . 0 0 "[ . 1 . 2]" 1
931 1 70 ARG HB3 1 71 PHE H . . 4.420 3.894 3.280 4.285 . 0 0 "[ . 1 . 2]" 1
932 1 70 ARG QG 1 71 PHE H . . 4.290 4.224 4.085 4.296 0.006 9 0 "[ . 1 . 2]" 1
933 1 71 PHE H 1 71 PHE QB . . 3.900 3.263 3.217 3.288 . 0 0 "[ . 1 . 2]" 1
934 1 71 PHE H 1 71 PHE QD . . 3.770 3.112 2.456 3.420 . 0 0 "[ . 1 . 2]" 1
935 1 71 PHE H 1 72 VAL H . . 4.780 4.377 4.371 4.387 . 0 0 "[ . 1 . 2]" 1
936 1 71 PHE HA 1 71 PHE QD . . 4.190 3.703 3.675 3.725 . 0 0 "[ . 1 . 2]" 1
937 1 71 PHE HA 1 72 VAL H . . 3.120 2.446 2.430 2.452 . 0 0 "[ . 1 . 2]" 1
938 1 71 PHE HA 1 72 VAL MG2 . . 4.140 3.319 3.134 3.534 . 0 0 "[ . 1 . 2]" 1
939 1 71 PHE QB 1 72 VAL H . . 3.370 2.318 2.298 2.353 . 0 0 "[ . 1 . 2]" 1
940 1 71 PHE QB 1 72 VAL MG2 . . 4.630 4.126 3.952 4.313 . 0 0 "[ . 1 . 2]" 1
941 1 71 PHE QB 1 73 PRO HD2 . . 5.500 5.278 5.166 5.380 . 0 0 "[ . 1 . 2]" 1
942 1 71 PHE QB 1 73 PRO HD3 . . 4.700 4.113 3.965 4.262 . 0 0 "[ . 1 . 2]" 1
943 1 71 PHE QD 1 72 VAL H . . 4.250 3.279 3.147 3.417 . 0 0 "[ . 1 . 2]" 1
944 1 71 PHE QD 1 72 VAL HB . . 5.210 5.029 4.867 5.186 . 0 0 "[ . 1 . 2]" 1
945 1 71 PHE QD 1 73 PRO HA . . 4.480 3.223 3.072 3.370 . 0 0 "[ . 1 . 2]" 1
946 1 71 PHE QD 1 73 PRO HB3 . . 4.670 3.300 3.071 3.594 . 0 0 "[ . 1 . 2]" 1
947 1 71 PHE QD 1 73 PRO HD2 . . 4.910 3.925 3.515 4.612 . 0 0 "[ . 1 . 2]" 1
948 1 71 PHE QD 1 73 PRO HD3 . . 4.960 2.435 1.993 3.265 . 0 0 "[ . 1 . 2]" 1
949 1 71 PHE QD 1 73 PRO HG3 . . 4.780 4.075 3.745 4.632 . 0 0 "[ . 1 . 2]" 1
950 1 71 PHE QE 1 73 PRO HA . . 4.430 3.474 2.979 3.746 . 0 0 "[ . 1 . 2]" 1
951 1 71 PHE QE 1 73 PRO HB2 . . 4.770 3.750 3.687 3.859 . 0 0 "[ . 1 . 2]" 1
952 1 71 PHE QE 1 73 PRO HB3 . . 4.340 2.042 1.998 2.147 . 0 0 "[ . 1 . 2]" 1
953 1 71 PHE QE 1 73 PRO HG3 . . 4.550 3.169 2.798 3.740 . 0 0 "[ . 1 . 2]" 1
954 1 71 PHE QE 1 97 PHE HZ . . 4.640 2.792 2.327 3.655 . 0 0 "[ . 1 . 2]" 1
955 1 71 PHE HZ 1 97 PHE QE . . 4.750 3.534 2.881 4.275 . 0 0 "[ . 1 . 2]" 1
956 1 71 PHE HZ 1 97 PHE HZ . . 5.370 3.629 2.623 4.353 . 0 0 "[ . 1 . 2]" 1
957 1 72 VAL H 1 72 VAL HB . . 3.350 2.669 2.552 2.808 . 0 0 "[ . 1 . 2]" 1
958 1 72 VAL H 1 72 VAL MG1 . . 4.240 3.841 3.815 3.862 . 0 0 "[ . 1 . 2]" 1
959 1 72 VAL H 1 72 VAL MG2 . . 3.610 2.406 2.152 2.693 . 0 0 "[ . 1 . 2]" 1
960 1 72 VAL H 1 73 PRO HD2 . . 4.940 4.488 4.441 4.536 . 0 0 "[ . 1 . 2]" 1
961 1 72 VAL HA 1 72 VAL MG1 . . 3.540 2.258 2.118 2.364 . 0 0 "[ . 1 . 2]" 1
962 1 72 VAL HA 1 72 VAL MG2 . . 3.520 2.445 2.290 2.572 . 0 0 "[ . 1 . 2]" 1
963 1 72 VAL HA 1 73 PRO HD2 . . 3.670 1.928 1.919 1.939 . 0 0 "[ . 1 . 2]" 1
964 1 72 VAL HA 1 73 PRO HD3 . . 3.610 2.609 2.569 2.649 . 0 0 "[ . 1 . 2]" 1
965 1 72 VAL HA 1 73 PRO HG2 . . 4.630 4.120 4.116 4.125 . 0 0 "[ . 1 . 2]" 1
966 1 72 VAL HA 1 73 PRO HG3 . . 4.610 4.444 4.420 4.469 . 0 0 "[ . 1 . 2]" 1
967 1 72 VAL HB 1 74 GLN QE . . 5.230 3.722 2.476 5.132 . 0 0 "[ . 1 . 2]" 1
968 1 72 VAL MG1 1 73 PRO HD2 . . 4.070 3.002 2.920 3.067 . 0 0 "[ . 1 . 2]" 1
969 1 72 VAL MG1 1 73 PRO HD3 . . 4.150 4.157 4.098 4.182 0.032 11 0 "[ . 1 . 2]" 1
970 1 72 VAL MG1 1 74 GLN HE21 . . 4.250 2.929 1.878 3.789 . 0 0 "[ . 1 . 2]" 1
971 1 72 VAL MG1 1 74 GLN HE22 . . 4.250 3.468 2.563 4.057 . 0 0 "[ . 1 . 2]" 1
972 1 72 VAL MG1 1 74 GLN QG . . 4.630 2.858 1.870 4.229 . 0 0 "[ . 1 . 2]" 1
973 1 72 VAL MG2 1 73 PRO HD3 . . 4.790 4.487 4.398 4.558 . 0 0 "[ . 1 . 2]" 1
974 1 73 PRO HA 1 74 GLN H . . 3.180 2.384 2.329 2.408 . 0 0 "[ . 1 . 2]" 1
975 1 73 PRO HB2 1 79 HIS HD2 . . 4.960 2.174 2.003 2.552 . 0 0 "[ . 1 . 2]" 1
976 1 73 PRO HB2 1 99 VAL MG1 . . 3.970 3.496 3.188 3.935 . 0 0 "[ . 1 . 2]" 1
977 1 73 PRO HB2 1 99 VAL MG2 . . 3.670 2.423 2.053 2.723 . 0 0 "[ . 1 . 2]" 1
978 1 73 PRO HB3 1 99 VAL MG2 . . 3.890 3.741 3.284 3.892 0.002 4 0 "[ . 1 . 2]" 1
979 1 73 PRO HG2 1 99 VAL MG1 . . 3.890 3.210 2.904 3.528 . 0 0 "[ . 1 . 2]" 1
980 1 73 PRO HG2 1 99 VAL MG2 . . 4.100 3.332 2.727 3.726 . 0 0 "[ . 1 . 2]" 1
981 1 74 GLN H 1 74 GLN HB2 . . 4.190 3.271 2.420 3.778 . 0 0 "[ . 1 . 2]" 1
982 1 74 GLN H 1 74 GLN QB . . 3.490 2.766 2.384 3.114 . 0 0 "[ . 1 . 2]" 1
983 1 74 GLN H 1 74 GLN HB3 . . 4.190 3.165 2.506 3.639 . 0 0 "[ . 1 . 2]" 1
984 1 74 GLN H 1 74 GLN QG . . 4.420 2.769 1.890 4.096 . 0 0 "[ . 1 . 2]" 1
985 1 74 GLN HA 1 74 GLN QG . . 3.630 2.891 2.183 3.340 . 0 0 "[ . 1 . 2]" 1
986 1 74 GLN QB 1 74 GLN QE . . 3.650 2.837 1.910 3.572 . 0 0 "[ . 1 . 2]" 1
987 1 75 GLU H 1 75 GLU HB2 . . 4.030 2.836 2.654 3.116 . 0 0 "[ . 1 . 2]" 1
988 1 75 GLU H 1 75 GLU QB . . 3.390 2.713 2.597 2.910 . 0 0 "[ . 1 . 2]" 1
989 1 75 GLU H 1 75 GLU HB3 . . 4.030 3.651 2.926 3.926 . 0 0 "[ . 1 . 2]" 1
990 1 75 GLU H 1 75 GLU QG . . 4.270 3.659 2.660 4.359 0.089 11 0 "[ . 1 . 2]" 1
991 1 75 GLU H 1 76 MET H . . 4.750 4.394 4.384 4.423 . 0 0 "[ . 1 . 2]" 1
992 1 75 GLU HA 1 75 GLU HG2 . . 4.110 3.326 2.784 3.627 . 0 0 "[ . 1 . 2]" 1
993 1 75 GLU HA 1 75 GLU HG3 . . 4.110 3.030 2.200 3.932 . 0 0 "[ . 1 . 2]" 1
994 1 75 GLU HA 1 76 MET H . . 2.950 2.575 2.483 2.607 . 0 0 "[ . 1 . 2]" 1
995 1 75 GLU HA 1 76 MET QG . . 3.800 3.647 3.376 3.774 . 0 0 "[ . 1 . 2]" 1
996 1 75 GLU QB 1 76 MET H . . 3.380 2.244 1.991 3.053 . 0 0 "[ . 1 . 2]" 1
997 1 75 GLU QB 1 79 HIS HD1 . . 4.870 3.244 2.933 3.514 . 0 0 "[ . 1 . 2]" 1
998 1 75 GLU QB 1 79 HIS HE1 . . 3.840 2.495 2.034 2.838 . 0 0 "[ . 1 . 2]" 1
999 1 75 GLU QG 1 76 MET H . . 4.730 3.312 1.889 4.215 . 0 0 "[ . 1 . 2]" 1
1000 1 76 MET H 1 76 MET HB2 . . 3.770 2.551 2.382 3.536 . 0 0 "[ . 1 . 2]" 1
1001 1 76 MET H 1 76 MET QB . . 3.190 2.469 2.351 3.043 . 0 0 "[ . 1 . 2]" 1
1002 1 76 MET H 1 76 MET HB3 . . 3.770 3.611 3.271 3.703 . 0 0 "[ . 1 . 2]" 1
1003 1 76 MET H 1 76 MET HG2 . . 3.820 3.008 2.070 3.741 . 0 0 "[ . 1 . 2]" 1
1004 1 76 MET H 1 76 MET QG . . 3.320 2.652 1.902 2.863 . 0 0 "[ . 1 . 2]" 1
1005 1 76 MET H 1 76 MET HG3 . . 3.820 3.280 2.105 3.815 . 0 0 "[ . 1 . 2]" 1
1006 1 76 MET H 1 77 GLY H . . 4.890 2.400 2.155 2.611 . 0 0 "[ . 1 . 2]" 1
1007 1 76 MET HA 1 76 MET HG2 . . 4.050 2.686 2.327 3.604 . 0 0 "[ . 1 . 2]" 1
1008 1 76 MET HA 1 76 MET QG . . 3.280 2.601 2.281 3.252 . 0 0 "[ . 1 . 2]" 1
1009 1 76 MET HA 1 76 MET HG3 . . 4.050 3.588 3.185 3.830 . 0 0 "[ . 1 . 2]" 1
1010 1 76 MET HA 1 77 GLY H . . 3.240 3.180 3.050 3.280 0.040 16 0 "[ . 1 . 2]" 1
1011 1 76 MET HA 1 77 GLY HA2 . . 4.420 4.424 4.396 4.449 0.029 9 0 "[ . 1 . 2]" 1
1012 1 76 MET HA 1 79 HIS HE1 . . 5.400 5.188 4.898 5.380 . 0 0 "[ . 1 . 2]" 1
1013 1 76 MET QB 1 77 GLY H . . 3.720 3.557 3.454 3.763 0.043 9 0 "[ . 1 . 2]" 1
1014 1 76 MET QB 1 77 GLY HA2 . . 5.340 4.502 4.422 4.600 . 0 0 "[ . 1 . 2]" 1
1015 1 76 MET HB2 1 77 GLY H . . 4.530 3.778 3.637 4.024 . 0 0 "[ . 1 . 2]" 1
1016 1 76 MET HB3 1 77 GLY H . . 4.530 4.345 4.283 4.524 . 0 0 "[ . 1 . 2]" 1
1017 1 76 MET ME 1 76 MET HG2 . . 3.910 2.635 2.037 3.373 . 0 0 "[ . 1 . 2]" 1
1018 1 76 MET ME 1 76 MET QG . . 3.430 2.185 2.004 2.356 . 0 0 "[ . 1 . 2]" 1
1019 1 76 MET ME 1 76 MET HG3 . . 3.910 2.644 2.151 3.271 . 0 0 "[ . 1 . 2]" 1
1020 1 77 GLY H 1 79 HIS HE1 . . 4.880 3.536 3.197 4.059 . 0 0 "[ . 1 . 2]" 1
1021 1 77 GLY HA2 1 78 VAL H . . 3.380 3.168 2.986 3.334 . 0 0 "[ . 1 . 2]" 1
1022 1 77 GLY HA2 1 78 VAL HA . . 4.610 4.422 4.373 4.484 . 0 0 "[ . 1 . 2]" 1
1023 1 77 GLY HA2 1 78 VAL HB . . 5.500 5.003 4.885 5.116 . 0 0 "[ . 1 . 2]" 1
1024 1 77 GLY HA3 1 78 VAL H . . 3.270 2.157 2.137 2.223 . 0 0 "[ . 1 . 2]" 1
1025 1 78 VAL H 1 78 VAL HB . . 3.050 2.719 2.439 3.018 . 0 0 "[ . 1 . 2]" 1
1026 1 78 VAL H 1 78 VAL MG1 . . 3.140 2.105 1.886 2.349 . 0 0 "[ . 1 . 2]" 1
1027 1 78 VAL H 1 78 VAL MG2 . . 4.090 3.789 3.754 3.830 . 0 0 "[ . 1 . 2]" 1
1028 1 78 VAL H 1 79 HIS H . . 4.810 4.574 4.493 4.614 . 0 0 "[ . 1 . 2]" 1
1029 1 78 VAL HA 1 78 VAL MG1 . . 3.370 3.193 3.178 3.202 . 0 0 "[ . 1 . 2]" 1
1030 1 78 VAL HA 1 78 VAL MG2 . . 3.440 2.295 2.157 2.456 . 0 0 "[ . 1 . 2]" 1
1031 1 78 VAL HA 1 79 HIS H . . 2.890 2.228 2.167 2.316 . 0 0 "[ . 1 . 2]" 1
1032 1 78 VAL HA 1 79 HIS HD1 . . 4.870 2.610 2.405 2.836 . 0 0 "[ . 1 . 2]" 1
1033 1 78 VAL HA 1 97 PHE H . . 5.500 5.455 5.221 5.505 0.005 15 0 "[ . 1 . 2]" 1
1034 1 78 VAL HA 1 98 THR HA . . 3.780 3.429 3.024 3.734 . 0 0 "[ . 1 . 2]" 1
1035 1 78 VAL HA 1 99 VAL H . . 4.520 4.102 3.668 4.438 . 0 0 "[ . 1 . 2]" 1
1036 1 78 VAL HB 1 79 HIS H . . 4.410 4.040 3.897 4.178 . 0 0 "[ . 1 . 2]" 1
1037 1 78 VAL MG1 1 79 HIS H . . 4.040 3.733 3.356 3.954 . 0 0 "[ . 1 . 2]" 1
1038 1 78 VAL MG2 1 79 HIS H . . 3.610 2.143 1.898 2.516 . 0 0 "[ . 1 . 2]" 1
1039 1 78 VAL MG2 1 96 GLN HA . . 4.760 3.833 3.571 4.034 . 0 0 "[ . 1 . 2]" 1
1040 1 78 VAL MG2 1 96 GLN HE21 . . 4.540 3.607 2.862 4.537 . 0 0 "[ . 1 . 2]" 1
1041 1 78 VAL MG2 1 96 GLN QE . . 3.950 3.346 2.819 3.950 . 0 0 "[ . 1 . 2]" 1
1042 1 78 VAL MG2 1 96 GLN HE22 . . 4.540 4.185 3.707 4.517 . 0 0 "[ . 1 . 2]" 1
1043 1 78 VAL MG2 1 96 GLN HG2 . . 4.590 2.634 2.137 3.128 . 0 0 "[ . 1 . 2]" 1
1044 1 78 VAL MG2 1 96 GLN QG . . 3.850 2.581 2.055 3.078 . 0 0 "[ . 1 . 2]" 1
1045 1 78 VAL MG2 1 96 GLN HG3 . . 4.590 3.761 2.663 4.587 . 0 0 "[ . 1 . 2]" 1
1046 1 78 VAL MG2 1 97 PHE H . . 4.150 3.160 2.976 3.449 . 0 0 "[ . 1 . 2]" 1
1047 1 78 VAL MG2 1 99 VAL H . . 5.040 4.686 4.137 5.040 . 9 0 "[ . 1 . 2]" 1
1048 1 79 HIS H 1 79 HIS HB2 . . 3.590 2.542 2.435 2.632 . 0 0 "[ . 1 . 2]" 1
1049 1 79 HIS H 1 79 HIS HB3 . . 3.900 3.692 3.637 3.751 . 0 0 "[ . 1 . 2]" 1
1050 1 79 HIS H 1 79 HIS HD1 . . 3.870 2.151 1.937 2.377 . 0 0 "[ . 1 . 2]" 1
1051 1 79 HIS H 1 80 THR H . . 4.950 4.493 4.431 4.559 . 0 0 "[ . 1 . 2]" 1
1052 1 79 HIS H 1 97 PHE H . . 3.930 3.755 3.515 3.928 . 0 0 "[ . 1 . 2]" 1
1053 1 79 HIS H 1 98 THR HA . . 3.830 3.357 2.962 3.610 . 0 0 "[ . 1 . 2]" 1
1054 1 79 HIS H 1 99 VAL H . . 4.610 4.176 3.702 4.587 . 0 0 "[ . 1 . 2]" 1
1055 1 79 HIS HA 1 79 HIS HD1 . . 4.780 3.215 3.044 3.459 . 0 0 "[ . 1 . 2]" 1
1056 1 79 HIS HA 1 79 HIS HD2 . . 4.400 4.234 4.039 4.406 0.006 10 0 "[ . 1 . 2]" 1
1057 1 79 HIS HA 1 80 THR H . . 3.070 2.189 2.154 2.247 . 0 0 "[ . 1 . 2]" 1
1058 1 79 HIS HA 1 80 THR HA . . 4.820 4.416 4.397 4.437 . 0 0 "[ . 1 . 2]" 1
1059 1 79 HIS HB2 1 80 THR H . . 4.220 4.059 3.895 4.198 . 0 0 "[ . 1 . 2]" 1
1060 1 79 HIS HB2 1 97 PHE H . . 4.640 3.830 3.286 4.150 . 0 0 "[ . 1 . 2]" 1
1061 1 79 HIS HB2 1 98 THR HA . . 5.130 4.500 3.955 5.122 . 0 0 "[ . 1 . 2]" 1
1062 1 79 HIS HB3 1 80 THR H . . 3.820 3.089 2.853 3.275 . 0 0 "[ . 1 . 2]" 1
1063 1 79 HIS HD1 1 99 VAL H . . 4.400 3.675 3.351 4.061 . 0 0 "[ . 1 . 2]" 1
1064 1 79 HIS HD1 1 99 VAL HB . . 4.970 4.139 3.695 4.593 . 0 0 "[ . 1 . 2]" 1
1065 1 79 HIS HD1 1 99 VAL MG2 . . 4.450 2.855 2.402 3.321 . 0 0 "[ . 1 . 2]" 1
1066 1 79 HIS HD2 1 99 VAL MG2 . . 4.950 3.062 2.625 3.660 . 0 0 "[ . 1 . 2]" 1
1067 1 79 HIS HE1 1 99 VAL H . . 4.920 4.234 3.874 4.748 . 0 0 "[ . 1 . 2]" 1
1068 1 79 HIS HE1 1 99 VAL HB . . 3.790 3.208 2.617 3.627 . 0 0 "[ . 1 . 2]" 1
1069 1 79 HIS HE1 1 99 VAL MG1 . . 4.500 4.313 3.777 4.500 . 15 0 "[ . 1 . 2]" 1
1070 1 79 HIS HE1 1 99 VAL MG2 . . 4.050 3.108 2.758 3.644 . 0 0 "[ . 1 . 2]" 1
1071 1 80 THR H 1 80 THR HB . . 3.490 2.880 2.705 3.067 . 0 0 "[ . 1 . 2]" 1
1072 1 80 THR H 1 80 THR MG . . 4.130 3.941 3.888 3.986 . 0 0 "[ . 1 . 2]" 1
1073 1 80 THR H 1 81 VAL H . . 4.950 4.242 4.082 4.436 . 0 0 "[ . 1 . 2]" 1
1074 1 80 THR HA 1 80 THR MG . . 3.350 2.264 2.105 2.438 . 0 0 "[ . 1 . 2]" 1
1075 1 80 THR HA 1 81 VAL H . . 2.920 2.158 2.141 2.218 . 0 0 "[ . 1 . 2]" 1
1076 1 80 THR HA 1 81 VAL HA . . 5.160 4.392 4.376 4.415 . 0 0 "[ . 1 . 2]" 1
1077 1 80 THR HA 1 81 VAL HB . . 5.000 4.705 4.562 5.000 . 0 0 "[ . 1 . 2]" 1
1078 1 80 THR HA 1 96 GLN HA . . 3.250 2.523 2.297 2.778 . 0 0 "[ . 1 . 2]" 1
1079 1 80 THR HA 1 96 GLN HG2 . . 4.620 3.779 2.931 4.549 . 0 0 "[ . 1 . 2]" 1
1080 1 80 THR HA 1 96 GLN QG . . 3.960 3.354 2.801 3.905 . 0 0 "[ . 1 . 2]" 1
1081 1 80 THR HA 1 96 GLN HG3 . . 4.620 3.799 3.330 4.437 . 0 0 "[ . 1 . 2]" 1
1082 1 80 THR HA 1 97 PHE H . . 3.900 3.584 3.143 3.897 . 0 0 "[ . 1 . 2]" 1
1083 1 80 THR HB 1 81 VAL H . . 4.270 4.082 3.724 4.274 0.004 15 0 "[ . 1 . 2]" 1
1084 1 80 THR HB 1 94 PRO HB2 . . 4.900 4.380 3.637 4.834 . 0 0 "[ . 1 . 2]" 1
1085 1 80 THR HB 1 94 PRO QG . . 5.500 4.887 3.973 5.494 . 0 0 "[ . 1 . 2]" 1
1086 1 80 THR MG 1 81 VAL H . . 3.730 2.587 2.137 2.941 . 0 0 "[ . 1 . 2]" 1
1087 1 80 THR MG 1 94 PRO HB2 . . 3.190 2.010 1.842 2.223 . 0 0 "[ . 1 . 2]" 1
1088 1 80 THR MG 1 94 PRO HB3 . . 3.630 3.092 2.818 3.273 . 0 0 "[ . 1 . 2]" 1
1089 1 80 THR MG 1 94 PRO QG . . 4.100 2.648 2.139 3.066 . 0 0 "[ . 1 . 2]" 1
1090 1 80 THR MG 1 96 GLN HA . . 4.560 3.045 2.292 3.633 . 0 0 "[ . 1 . 2]" 1
1091 1 80 THR MG 1 96 GLN QE . . 4.410 3.882 3.084 4.411 0.001 3 0 "[ . 1 . 2]" 1
1092 1 80 THR MG 1 96 GLN HG2 . . 4.020 3.346 2.467 4.015 . 0 0 "[ . 1 . 2]" 1
1093 1 80 THR MG 1 96 GLN QG . . 3.520 2.405 1.955 3.006 . 0 0 "[ . 1 . 2]" 1
1094 1 80 THR MG 1 96 GLN HG3 . . 4.020 2.472 2.005 3.109 . 0 0 "[ . 1 . 2]" 1
1095 1 81 VAL H 1 81 VAL HB . . 3.690 2.602 2.448 2.942 . 0 0 "[ . 1 . 2]" 1
1096 1 81 VAL H 1 81 VAL MG2 . . 3.480 2.444 2.043 2.672 . 0 0 "[ . 1 . 2]" 1
1097 1 81 VAL H 1 82 SER H . . 5.170 4.386 4.105 4.564 . 0 0 "[ . 1 . 2]" 1
1098 1 81 VAL H 1 95 PHE H . . 3.820 3.074 2.776 3.338 . 0 0 "[ . 1 . 2]" 1
1099 1 81 VAL H 1 95 PHE QB . . 4.300 3.128 2.901 3.403 . 0 0 "[ . 1 . 2]" 1
1100 1 81 VAL H 1 95 PHE QD . . 4.770 4.504 4.139 4.768 . 0 0 "[ . 1 . 2]" 1
1101 1 81 VAL H 1 96 GLN HA . . 4.200 3.716 3.405 3.921 . 0 0 "[ . 1 . 2]" 1
1102 1 81 VAL HA 1 81 VAL MG1 . . 3.610 2.334 2.071 2.464 . 0 0 "[ . 1 . 2]" 1
1103 1 81 VAL HA 1 82 SER H . . 3.100 2.155 2.141 2.213 . 0 0 "[ . 1 . 2]" 1
1104 1 81 VAL HA 1 82 SER HA . . 4.430 4.398 4.379 4.432 0.002 16 0 "[ . 1 . 2]" 1
1105 1 81 VAL HB 1 95 PHE H . . 4.280 3.099 2.577 3.411 . 0 0 "[ . 1 . 2]" 1
1106 1 81 VAL HB 1 95 PHE HB2 . . 4.450 2.247 2.003 2.622 . 0 0 "[ . 1 . 2]" 1
1107 1 81 VAL HB 1 95 PHE QB . . 3.760 2.234 1.993 2.602 . 0 0 "[ . 1 . 2]" 1
1108 1 81 VAL HB 1 95 PHE HB3 . . 4.450 3.925 3.530 4.342 . 0 0 "[ . 1 . 2]" 1
1109 1 81 VAL HB 1 95 PHE QD . . 4.130 2.714 2.262 3.057 . 0 0 "[ . 1 . 2]" 1
1110 1 81 VAL HB 1 97 PHE QE . . 4.870 4.193 3.590 4.638 . 0 0 "[ . 1 . 2]" 1
1111 1 81 VAL MG1 1 82 SER H . . 3.650 2.669 2.064 3.134 . 0 0 "[ . 1 . 2]" 1
1112 1 81 VAL MG1 1 83 VAL MG2 . . 3.040 2.010 1.753 2.341 . 0 0 "[ . 1 . 2]" 1
1113 1 81 VAL MG1 1 95 PHE H . . 4.760 4.118 3.624 4.623 . 0 0 "[ . 1 . 2]" 1
1114 1 81 VAL MG1 1 95 PHE QB . . 4.540 3.605 3.312 3.910 . 0 0 "[ . 1 . 2]" 1
1115 1 81 VAL MG1 1 95 PHE QD . . 3.760 3.039 2.397 3.458 . 0 0 "[ . 1 . 2]" 1
1116 1 81 VAL MG1 1 95 PHE QE . . 4.620 4.297 3.650 4.614 . 0 0 "[ . 1 . 2]" 1
1117 1 81 VAL MG2 1 95 PHE H . . 5.240 4.292 3.839 4.609 . 0 0 "[ . 1 . 2]" 1
1118 1 81 VAL MG2 1 95 PHE HB2 . . 4.850 3.087 2.330 3.706 . 0 0 "[ . 1 . 2]" 1
1119 1 81 VAL MG2 1 95 PHE QB . . 4.120 2.997 2.293 3.596 . 0 0 "[ . 1 . 2]" 1
1120 1 81 VAL MG2 1 95 PHE HB3 . . 4.850 4.078 3.422 4.852 0.002 20 0 "[ . 1 . 2]" 1
1121 1 81 VAL MG2 1 97 PHE QB . . 5.020 4.680 4.321 4.995 . 0 0 "[ . 1 . 2]" 1
1122 1 81 VAL MG2 1 97 PHE QD . . 3.800 3.010 2.674 3.381 . 0 0 "[ . 1 . 2]" 1
1123 1 81 VAL MG2 1 97 PHE QE . . 3.650 1.938 1.772 2.273 . 0 0 "[ . 1 . 2]" 1
1124 1 81 VAL MG2 1 97 PHE HZ . . 4.390 3.497 3.029 4.059 . 0 0 "[ . 1 . 2]" 1
1125 1 82 SER H 1 82 SER HB2 . . 3.980 2.528 2.222 3.771 . 0 0 "[ . 1 . 2]" 1
1126 1 82 SER H 1 82 SER QB . . 3.390 2.396 2.199 2.715 . 0 0 "[ . 1 . 2]" 1
1127 1 82 SER H 1 82 SER HB3 . . 3.980 3.401 2.572 3.709 . 0 0 "[ . 1 . 2]" 1
1128 1 82 SER H 1 83 VAL H . . 5.000 4.182 3.966 4.397 . 0 0 "[ . 1 . 2]" 1
1129 1 82 SER H 1 83 VAL MG2 . . 4.860 3.931 3.644 4.169 . 0 0 "[ . 1 . 2]" 1
1130 1 82 SER HA 1 83 VAL H . . 3.150 2.184 2.139 2.239 . 0 0 "[ . 1 . 2]" 1
1131 1 82 SER HA 1 83 VAL MG2 . . 4.580 3.809 3.491 4.070 . 0 0 "[ . 1 . 2]" 1
1132 1 82 SER HA 1 89 HIS HE1 . . 4.430 3.230 2.574 3.833 . 0 0 "[ . 1 . 2]" 1
1133 1 82 SER HA 1 93 SER HG . . 4.290 3.465 2.901 4.122 . 0 0 "[ . 1 . 2]" 1
1134 1 82 SER HA 1 94 PRO HA . . 3.830 2.994 2.705 3.459 . 0 0 "[ . 1 . 2]" 1
1135 1 82 SER HA 1 94 PRO HB2 . . 4.510 3.563 3.253 3.976 . 0 0 "[ . 1 . 2]" 1
1136 1 82 SER HA 1 94 PRO HB3 . . 4.330 2.387 2.012 2.974 . 0 0 "[ . 1 . 2]" 1
1137 1 82 SER HA 1 95 PHE H . . 4.660 3.881 3.559 4.395 . 0 0 "[ . 1 . 2]" 1
1138 1 82 SER QB 1 83 VAL H . . 4.110 3.686 3.412 4.008 . 0 0 "[ . 1 . 2]" 1
1139 1 82 SER QB 1 83 VAL MG2 . . 5.340 4.508 4.312 4.673 . 0 0 "[ . 1 . 2]" 1
1140 1 82 SER QB 1 84 LYS QE . . 3.930 3.090 2.594 3.603 . 0 0 "[ . 1 . 2]" 1
1141 1 82 SER QB 1 84 LYS HG3 . . 4.170 3.690 3.360 4.165 . 0 0 "[ . 1 . 2]" 1
1142 1 82 SER QB 1 89 HIS HE1 . . 3.590 3.099 2.387 3.588 . 0 0 "[ . 1 . 2]" 1
1143 1 82 SER QB 1 94 PRO HB3 . . 4.440 3.769 3.219 4.134 . 0 0 "[ . 1 . 2]" 1
1144 1 82 SER HB2 1 83 VAL H . . 4.760 4.461 3.792 4.637 . 0 0 "[ . 1 . 2]" 1
1145 1 82 SER HB3 1 83 VAL H . . 4.760 3.963 3.559 4.543 . 0 0 "[ . 1 . 2]" 1
1146 1 83 VAL H 1 83 VAL HB . . 3.880 2.646 2.490 2.770 . 0 0 "[ . 1 . 2]" 1
1147 1 83 VAL H 1 83 VAL MG1 . . 4.680 3.851 3.782 3.909 . 0 0 "[ . 1 . 2]" 1
1148 1 83 VAL H 1 83 VAL MG2 . . 3.760 2.588 2.233 2.776 . 0 0 "[ . 1 . 2]" 1
1149 1 83 VAL H 1 84 LYS H . . 5.160 4.181 4.013 4.300 . 0 0 "[ . 1 . 2]" 1
1150 1 83 VAL H 1 90 VAL MG2 . . 4.940 3.956 3.600 4.374 . 0 0 "[ . 1 . 2]" 1
1151 1 83 VAL H 1 93 SER HA . . 5.080 4.433 4.140 4.746 . 0 0 "[ . 1 . 2]" 1
1152 1 83 VAL H 1 93 SER HB2 . . 4.590 4.297 3.881 4.572 . 0 0 "[ . 1 . 2]" 1
1153 1 83 VAL H 1 93 SER HB3 . . 4.330 4.154 3.928 4.310 . 0 0 "[ . 1 . 2]" 1
1154 1 83 VAL H 1 93 SER HG . . 3.560 2.109 1.920 2.278 . 0 0 "[ . 1 . 2]" 1
1155 1 83 VAL H 1 94 PRO HA . . 4.420 2.995 2.771 3.325 . 0 0 "[ . 1 . 2]" 1
1156 1 83 VAL H 1 95 PHE H . . 5.500 4.152 3.606 4.501 . 0 0 "[ . 1 . 2]" 1
1157 1 83 VAL HA 1 83 VAL MG1 . . 3.420 2.329 2.193 2.462 . 0 0 "[ . 1 . 2]" 1
1158 1 83 VAL HA 1 83 VAL MG2 . . 3.480 2.419 2.295 2.533 . 0 0 "[ . 1 . 2]" 1
1159 1 83 VAL HA 1 84 LYS H . . 2.930 2.162 2.141 2.197 . 0 0 "[ . 1 . 2]" 1
1160 1 83 VAL HB 1 84 LYS H . . 4.930 4.338 4.157 4.434 . 0 0 "[ . 1 . 2]" 1
1161 1 83 VAL HB 1 90 VAL H . . 4.580 4.009 3.649 4.356 . 0 0 "[ . 1 . 2]" 1
1162 1 83 VAL HB 1 90 VAL MG2 . . 3.260 2.314 2.013 2.818 . 0 0 "[ . 1 . 2]" 1
1163 1 83 VAL HB 1 93 SER HB2 . . 4.190 3.566 3.268 3.821 . 0 0 "[ . 1 . 2]" 1
1164 1 83 VAL HB 1 93 SER HB3 . . 4.560 4.334 3.985 4.554 . 0 0 "[ . 1 . 2]" 1
1165 1 83 VAL HB 1 95 PHE QD . . 4.440 3.650 3.085 3.955 . 0 0 "[ . 1 . 2]" 1
1166 1 83 VAL HB 1 95 PHE QE . . 3.950 2.423 2.070 3.056 . 0 0 "[ . 1 . 2]" 1
1167 1 83 VAL MG1 1 84 LYS H . . 3.530 3.076 2.819 3.288 . 0 0 "[ . 1 . 2]" 1
1168 1 83 VAL MG1 1 95 PHE QE . . 4.690 3.266 2.757 3.743 . 0 0 "[ . 1 . 2]" 1
1169 1 83 VAL MG2 1 95 PHE H . . 5.390 4.184 3.770 4.529 . 0 0 "[ . 1 . 2]" 1
1170 1 83 VAL MG2 1 95 PHE QD . . 3.580 2.420 2.093 2.793 . 0 0 "[ . 1 . 2]" 1
1171 1 83 VAL MG2 1 95 PHE QE . . 3.640 2.404 1.990 3.023 . 0 0 "[ . 1 . 2]" 1
1172 1 84 LYS H 1 84 LYS HB2 . . 3.510 2.575 2.420 2.731 . 0 0 "[ . 1 . 2]" 1
1173 1 84 LYS H 1 84 LYS HB3 . . 3.950 3.727 3.616 3.828 . 0 0 "[ . 1 . 2]" 1
1174 1 84 LYS H 1 84 LYS QD . . 5.340 4.517 4.129 4.844 . 0 0 "[ . 1 . 2]" 1
1175 1 84 LYS H 1 84 LYS HG2 . . 4.270 3.996 3.744 4.258 . 0 0 "[ . 1 . 2]" 1
1176 1 84 LYS H 1 84 LYS HG3 . . 3.540 2.982 2.642 3.386 . 0 0 "[ . 1 . 2]" 1
1177 1 84 LYS H 1 85 TYR H . . 4.930 4.477 4.383 4.532 . 0 0 "[ . 1 . 2]" 1
1178 1 84 LYS HA 1 84 LYS HD2 . . 4.860 4.410 4.145 4.591 . 0 0 "[ . 1 . 2]" 1
1179 1 84 LYS HA 1 84 LYS QD . . 4.180 3.978 3.843 4.069 . 0 0 "[ . 1 . 2]" 1
1180 1 84 LYS HA 1 84 LYS HD3 . . 4.860 4.554 4.213 4.763 . 0 0 "[ . 1 . 2]" 1
1181 1 84 LYS HA 1 84 LYS HG2 . . 3.810 2.523 2.310 2.698 . 0 0 "[ . 1 . 2]" 1
1182 1 84 LYS HA 1 84 LYS HG3 . . 4.060 3.072 2.884 3.233 . 0 0 "[ . 1 . 2]" 1
1183 1 84 LYS HA 1 85 TYR H . . 2.830 2.282 2.166 2.458 . 0 0 "[ . 1 . 2]" 1
1184 1 84 LYS HA 1 85 TYR QB . . 4.810 3.981 3.935 4.035 . 0 0 "[ . 1 . 2]" 1
1185 1 84 LYS HA 1 88 GLN H . . 4.100 3.610 3.346 3.843 . 0 0 "[ . 1 . 2]" 1
1186 1 84 LYS HA 1 89 HIS H . . 4.840 4.285 4.021 4.628 . 0 0 "[ . 1 . 2]" 1
1187 1 84 LYS HA 1 89 HIS HA . . 3.740 2.324 2.018 2.590 . 0 0 "[ . 1 . 2]" 1
1188 1 84 LYS HA 1 90 VAL H . . 3.650 2.840 2.495 3.206 . 0 0 "[ . 1 . 2]" 1
1189 1 84 LYS HA 1 90 VAL MG1 . . 3.770 3.083 2.684 3.643 . 0 0 "[ . 1 . 2]" 1
1190 1 84 LYS HA 1 90 VAL MG2 . . 4.900 3.957 3.657 4.194 . 0 0 "[ . 1 . 2]" 1
1191 1 84 LYS HB2 1 84 LYS HD2 . . 3.900 2.607 2.283 2.939 . 0 0 "[ . 1 . 2]" 1
1192 1 84 LYS HB2 1 84 LYS QD . . 3.410 2.549 2.246 2.852 . 0 0 "[ . 1 . 2]" 1
1193 1 84 LYS HB2 1 84 LYS HD3 . . 3.900 3.604 3.313 3.854 . 0 0 "[ . 1 . 2]" 1
1194 1 84 LYS HB2 1 85 TYR H . . 4.220 3.893 3.356 4.193 . 0 0 "[ . 1 . 2]" 1
1195 1 84 LYS HB2 1 87 GLY H . . 4.520 3.893 3.486 4.261 . 0 0 "[ . 1 . 2]" 1
1196 1 84 LYS HB2 1 88 GLN H . . 4.180 3.871 3.433 4.064 . 0 0 "[ . 1 . 2]" 1
1197 1 84 LYS HB3 1 84 LYS QD . . 3.320 2.352 2.177 2.499 . 0 0 "[ . 1 . 2]" 1
1198 1 84 LYS HB3 1 85 TYR H . . 3.550 2.779 2.370 3.195 . 0 0 "[ . 1 . 2]" 1
1199 1 84 LYS HB3 1 87 GLY H . . 4.260 3.041 2.778 3.268 . 0 0 "[ . 1 . 2]" 1
1200 1 84 LYS HB3 1 88 GLN H . . 3.550 2.238 1.954 2.547 . 0 0 "[ . 1 . 2]" 1
1201 1 84 LYS HB3 1 89 HIS H . . 5.330 4.364 3.856 4.882 . 0 0 "[ . 1 . 2]" 1
1202 1 84 LYS HB3 1 89 HIS HA . . 4.960 3.843 3.378 4.164 . 0 0 "[ . 1 . 2]" 1
1203 1 84 LYS QD 1 87 GLY H . . 4.570 4.205 3.672 4.473 . 0 0 "[ . 1 . 2]" 1
1204 1 84 LYS QD 1 87 GLY QA . . 4.150 3.091 2.637 3.334 . 0 0 "[ . 1 . 2]" 1
1205 1 84 LYS QD 1 89 HIS H . . 5.340 3.963 3.564 4.447 . 0 0 "[ . 1 . 2]" 1
1206 1 84 LYS QE 1 84 LYS HG2 . . 3.580 3.025 2.586 3.290 . 0 0 "[ . 1 . 2]" 1
1207 1 84 LYS QE 1 89 HIS HE1 . . 3.820 3.130 2.387 3.796 . 0 0 "[ . 1 . 2]" 1
1208 1 84 LYS HE2 1 84 LYS HG2 . . 4.130 3.546 2.652 4.121 . 0 0 "[ . 1 . 2]" 1
1209 1 84 LYS HE2 1 84 LYS HG3 . . 3.800 2.977 2.202 3.611 . 0 0 "[ . 1 . 2]" 1
1210 1 84 LYS HE3 1 84 LYS HG2 . . 4.130 3.406 2.723 3.868 . 0 0 "[ . 1 . 2]" 1
1211 1 84 LYS HE3 1 84 LYS HG3 . . 3.800 2.413 2.109 2.942 . 0 0 "[ . 1 . 2]" 1
1212 1 84 LYS HG2 1 85 TYR H . . 4.300 4.091 3.596 4.301 0.001 20 0 "[ . 1 . 2]" 1
1213 1 84 LYS HG2 1 89 HIS H . . 4.600 3.386 2.722 3.695 . 0 0 "[ . 1 . 2]" 1
1214 1 84 LYS HG2 1 89 HIS HA . . 3.620 2.346 2.050 2.647 . 0 0 "[ . 1 . 2]" 1
1215 1 84 LYS HG2 1 90 VAL H . . 4.410 4.201 3.872 4.411 0.001 17 0 "[ . 1 . 2]" 1
1216 1 84 LYS HG3 1 89 HIS H . . 5.500 5.110 4.415 5.458 . 0 0 "[ . 1 . 2]" 1
1217 1 84 LYS HG3 1 89 HIS HA . . 4.210 3.584 3.216 4.053 . 0 0 "[ . 1 . 2]" 1
1218 1 85 TYR H 1 85 TYR HB2 . . 3.730 3.236 3.014 3.391 . 0 0 "[ . 1 . 2]" 1
1219 1 85 TYR H 1 85 TYR QB . . 3.170 2.424 2.273 2.552 . 0 0 "[ . 1 . 2]" 1
1220 1 85 TYR H 1 85 TYR HB3 . . 3.730 2.505 2.323 2.638 . 0 0 "[ . 1 . 2]" 1
1221 1 85 TYR H 1 85 TYR QD . . 4.300 4.215 4.053 4.305 0.005 2 0 "[ . 1 . 2]" 1
1222 1 85 TYR H 1 87 GLY H . . 4.700 3.638 3.292 4.082 . 0 0 "[ . 1 . 2]" 1
1223 1 85 TYR H 1 88 GLN H . . 3.280 2.402 2.160 2.682 . 0 0 "[ . 1 . 2]" 1
1224 1 85 TYR H 1 88 GLN QB . . 4.880 3.455 3.022 4.161 . 0 0 "[ . 1 . 2]" 1
1225 1 85 TYR H 1 89 HIS H . . 5.420 4.609 4.311 4.895 . 0 0 "[ . 1 . 2]" 1
1226 1 85 TYR H 1 89 HIS HA . . 4.040 3.813 3.507 4.018 . 0 0 "[ . 1 . 2]" 1
1227 1 85 TYR H 1 90 VAL H . . 4.480 4.041 3.533 4.376 . 0 0 "[ . 1 . 2]" 1
1228 1 85 TYR H 1 90 VAL MG1 . . 3.520 3.221 2.788 3.482 . 0 0 "[ . 1 . 2]" 1
1229 1 85 TYR HA 1 85 TYR QD . . 3.420 2.415 2.083 2.813 . 0 0 "[ . 1 . 2]" 1
1230 1 85 TYR HA 1 85 TYR QE . . 5.500 4.627 4.431 4.816 . 0 0 "[ . 1 . 2]" 1
1231 1 85 TYR HA 1 86 ARG H . . 3.270 2.194 2.142 2.242 . 0 0 "[ . 1 . 2]" 1
1232 1 85 TYR HA 1 86 ARG HA . . 4.640 4.392 4.366 4.420 . 0 0 "[ . 1 . 2]" 1
1233 1 85 TYR HA 1 87 GLY H . . 4.480 3.908 3.739 4.140 . 0 0 "[ . 1 . 2]" 1
1234 1 85 TYR HA 1 88 GLN H . . 4.710 4.414 4.179 4.636 . 0 0 "[ . 1 . 2]" 1
1235 1 85 TYR QB 1 86 ARG H . . 4.440 3.969 3.874 4.019 . 0 0 "[ . 1 . 2]" 1
1236 1 85 TYR HB2 1 86 ARG H . . 5.320 4.397 4.271 4.508 . 0 0 "[ . 1 . 2]" 1
1237 1 85 TYR HB2 1 90 VAL MG1 . . 3.500 2.771 2.333 3.496 . 0 0 "[ . 1 . 2]" 1
1238 1 85 TYR HB3 1 86 ARG H . . 5.320 4.521 4.426 4.587 . 0 0 "[ . 1 . 2]" 1
1239 1 85 TYR HB3 1 90 VAL MG1 . . 3.500 2.878 2.507 3.313 . 0 0 "[ . 1 . 2]" 1
1240 1 85 TYR QD 1 86 ARG H . . 4.270 3.296 2.753 4.064 . 0 0 "[ . 1 . 2]" 1
1241 1 85 TYR QD 1 86 ARG QB . . 4.590 3.630 3.165 3.978 . 0 0 "[ . 1 . 2]" 1
1242 1 85 TYR QD 1 86 ARG QD . . 4.730 3.845 3.623 4.305 . 0 0 "[ . 1 . 2]" 1
1243 1 85 TYR QD 1 86 ARG HG2 . . 4.750 4.252 3.465 4.698 . 0 0 "[ . 1 . 2]" 1
1244 1 85 TYR QD 1 86 ARG QG . . 4.020 2.783 2.072 3.147 . 0 0 "[ . 1 . 2]" 1
1245 1 85 TYR QD 1 86 ARG HG3 . . 4.750 2.826 2.085 3.205 . 0 0 "[ . 1 . 2]" 1
1246 1 85 TYR QD 1 90 VAL MG1 . . 4.980 3.951 3.460 4.474 . 0 0 "[ . 1 . 2]" 1
1247 1 85 TYR QE 1 86 ARG QB . . 4.550 3.856 3.290 4.277 . 0 0 "[ . 1 . 2]" 1
1248 1 85 TYR QE 1 86 ARG HD2 . . 4.040 3.167 2.145 4.038 . 0 0 "[ . 1 . 2]" 1
1249 1 85 TYR QE 1 86 ARG QD . . 3.490 2.636 2.133 3.240 . 0 0 "[ . 1 . 2]" 1
1250 1 85 TYR QE 1 86 ARG HD3 . . 4.040 3.213 2.335 4.036 . 0 0 "[ . 1 . 2]" 1
1251 1 85 TYR QE 1 86 ARG HG2 . . 4.580 3.970 3.338 4.458 . 0 0 "[ . 1 . 2]" 1
1252 1 85 TYR QE 1 86 ARG QG . . 3.910 2.708 2.086 3.229 . 0 0 "[ . 1 . 2]" 1
1253 1 85 TYR QE 1 86 ARG HG3 . . 4.580 2.766 2.102 3.315 . 0 0 "[ . 1 . 2]" 1
1254 1 86 ARG H 1 86 ARG HG2 . . 4.150 3.549 3.072 4.085 . 0 0 "[ . 1 . 2]" 1
1255 1 86 ARG H 1 86 ARG QG . . 3.620 2.871 2.754 3.077 . 0 0 "[ . 1 . 2]" 1
1256 1 86 ARG H 1 86 ARG HG3 . . 4.150 3.053 2.849 3.244 . 0 0 "[ . 1 . 2]" 1
1257 1 86 ARG H 1 87 GLY H . . 3.810 2.636 2.535 2.734 . 0 0 "[ . 1 . 2]" 1
1258 1 86 ARG HA 1 86 ARG HD2 . . 4.910 4.648 4.215 4.893 . 0 0 "[ . 1 . 2]" 1
1259 1 86 ARG HA 1 86 ARG QD . . 4.250 4.115 3.938 4.253 0.003 14 0 "[ . 1 . 2]" 1
1260 1 86 ARG HA 1 86 ARG HD3 . . 4.910 4.628 4.191 4.916 0.006 4 0 "[ . 1 . 2]" 1
1261 1 86 ARG HA 1 86 ARG HG2 . . 3.840 2.509 2.299 2.741 . 0 0 "[ . 1 . 2]" 1
1262 1 86 ARG HA 1 86 ARG QG . . 3.210 2.399 2.243 2.645 . 0 0 "[ . 1 . 2]" 1
1263 1 86 ARG HA 1 86 ARG HG3 . . 3.840 3.088 2.661 3.484 . 0 0 "[ . 1 . 2]" 1
1264 1 86 ARG HA 1 87 GLY H . . 3.320 2.921 2.810 2.979 . 0 0 "[ . 1 . 2]" 1
1265 1 86 ARG QB 1 87 GLY H . . 4.260 3.787 3.748 3.852 . 0 0 "[ . 1 . 2]" 1
1266 1 86 ARG HB2 1 86 ARG HD2 . . 3.810 3.391 2.422 3.811 0.001 14 0 "[ . 1 . 2]" 1
1267 1 86 ARG HB2 1 86 ARG HD3 . . 3.810 2.840 2.303 3.803 . 0 0 "[ . 1 . 2]" 1
1268 1 86 ARG HB2 1 87 GLY H . . 4.970 4.118 4.028 4.245 . 0 0 "[ . 1 . 2]" 1
1269 1 86 ARG HB3 1 86 ARG HD2 . . 3.810 3.349 2.316 3.789 . 0 0 "[ . 1 . 2]" 1
1270 1 86 ARG HB3 1 86 ARG HD3 . . 3.810 2.983 2.211 3.766 . 0 0 "[ . 1 . 2]" 1
1271 1 86 ARG HB3 1 87 GLY H . . 4.970 4.426 4.292 4.563 . 0 0 "[ . 1 . 2]" 1
1272 1 87 GLY H 1 88 GLN H . . 3.360 2.387 2.197 2.612 . 0 0 "[ . 1 . 2]" 1
1273 1 88 GLN H 1 88 GLN QB . . 3.180 2.926 2.769 3.168 . 0 0 "[ . 1 . 2]" 1
1274 1 88 GLN H 1 88 GLN HG2 . . 4.290 3.470 2.753 4.286 . 0 0 "[ . 1 . 2]" 1
1275 1 88 GLN H 1 88 GLN QG . . 3.470 3.138 2.709 3.471 0.001 13 0 "[ . 1 . 2]" 1
1276 1 88 GLN H 1 88 GLN HG3 . . 4.290 3.951 3.552 4.266 . 0 0 "[ . 1 . 2]" 1
1277 1 88 GLN H 1 89 HIS H . . 4.480 3.941 3.807 4.197 . 0 0 "[ . 1 . 2]" 1
1278 1 88 GLN H 1 89 HIS HA . . 5.050 4.485 4.411 4.639 . 0 0 "[ . 1 . 2]" 1
1279 1 88 GLN HA 1 88 GLN HG2 . . 4.110 2.922 2.305 3.784 . 0 0 "[ . 1 . 2]" 1
1280 1 88 GLN HA 1 88 GLN HG3 . . 4.110 3.535 3.096 3.855 . 0 0 "[ . 1 . 2]" 1
1281 1 88 GLN HA 1 89 HIS H . . 3.030 2.146 2.139 2.157 . 0 0 "[ . 1 . 2]" 1
1282 1 88 GLN QB 1 88 GLN QG . . 2.340 2.057 2.014 2.086 . 0 0 "[ . 1 . 2]" 1
1283 1 88 GLN QB 1 89 HIS H . . 3.520 3.417 3.164 3.521 0.001 16 0 "[ . 1 . 2]" 1
1284 1 89 HIS H 1 89 HIS HB2 . . 3.270 2.267 2.196 2.361 . 0 0 "[ . 1 . 2]" 1
1285 1 89 HIS H 1 89 HIS HB3 . . 3.680 3.540 3.502 3.571 . 0 0 "[ . 1 . 2]" 1
1286 1 89 HIS H 1 89 HIS HD2 . . 3.690 3.003 2.554 3.546 . 0 0 "[ . 1 . 2]" 1
1287 1 89 HIS H 1 90 VAL H . . 4.670 4.502 4.330 4.596 . 0 0 "[ . 1 . 2]" 1
1288 1 89 HIS HA 1 90 VAL H . . 2.790 2.151 2.140 2.185 . 0 0 "[ . 1 . 2]" 1
1289 1 89 HIS HA 1 90 VAL MG1 . . 4.350 3.709 3.491 3.907 . 0 0 "[ . 1 . 2]" 1
1290 1 89 HIS HA 1 90 VAL MG2 . . 4.670 3.737 3.553 3.929 . 0 0 "[ . 1 . 2]" 1
1291 1 89 HIS HB2 1 89 HIS HD2 . . 3.770 2.782 2.693 2.988 . 0 0 "[ . 1 . 2]" 1
1292 1 89 HIS HB2 1 90 VAL H . . 4.660 4.406 4.257 4.535 . 0 0 "[ . 1 . 2]" 1
1293 1 89 HIS HB2 1 93 SER HB2 . . 5.500 5.454 5.324 5.501 0.001 11 0 "[ . 1 . 2]" 1
1294 1 89 HIS HB2 1 93 SER HB3 . . 4.710 3.869 3.777 3.951 . 0 0 "[ . 1 . 2]" 1
1295 1 89 HIS HB3 1 90 VAL H . . 3.940 3.454 3.160 3.814 . 0 0 "[ . 1 . 2]" 1
1296 1 89 HIS HB3 1 93 SER H . . 4.150 3.936 3.655 4.133 . 0 0 "[ . 1 . 2]" 1
1297 1 89 HIS HB3 1 93 SER HB2 . . 4.150 3.764 3.639 3.837 . 0 0 "[ . 1 . 2]" 1
1298 1 89 HIS HB3 1 93 SER HB3 . . 4.080 2.139 2.044 2.223 . 0 0 "[ . 1 . 2]" 1
1299 1 89 HIS HB3 1 93 SER HG . . 4.430 3.684 3.370 3.976 . 0 0 "[ . 1 . 2]" 1
1300 1 89 HIS HE1 1 93 SER HG . . 4.170 3.972 3.611 4.171 0.001 20 0 "[ . 1 . 2]" 1
1301 1 89 HIS HE1 1 94 PRO HB2 . . 5.120 4.802 4.187 5.071 . 0 0 "[ . 1 . 2]" 1
1302 1 89 HIS HE1 1 94 PRO HB3 . . 4.310 3.058 2.457 3.311 . 0 0 "[ . 1 . 2]" 1
1303 1 89 HIS HE1 1 94 PRO QD . . 4.260 3.159 2.555 3.697 . 0 0 "[ . 1 . 2]" 1
1304 1 89 HIS HE1 1 94 PRO QG . . 4.210 3.783 3.231 4.204 . 0 0 "[ . 1 . 2]" 1
1305 1 90 VAL H 1 90 VAL HB . . 4.130 3.621 3.611 3.644 . 0 0 "[ . 1 . 2]" 1
1306 1 90 VAL H 1 90 VAL MG1 . . 3.090 2.200 2.021 2.690 . 0 0 "[ . 1 . 2]" 1
1307 1 90 VAL H 1 90 VAL MG2 . . 3.260 2.030 1.907 2.228 . 0 0 "[ . 1 . 2]" 1
1308 1 90 VAL H 1 93 SER H . . 5.440 5.053 4.711 5.286 . 0 0 "[ . 1 . 2]" 1
1309 1 90 VAL H 1 93 SER HB2 . . 4.050 3.163 2.841 3.507 . 0 0 "[ . 1 . 2]" 1
1310 1 90 VAL H 1 93 SER HB3 . . 3.930 2.918 2.449 3.252 . 0 0 "[ . 1 . 2]" 1
1311 1 90 VAL H 1 93 SER HG . . 4.720 3.492 2.735 4.125 . 0 0 "[ . 1 . 2]" 1
1312 1 90 VAL HA 1 90 VAL MG1 . . 3.150 2.371 2.169 2.447 . 0 0 "[ . 1 . 2]" 1
1313 1 90 VAL HA 1 91 THR H . . 2.810 2.583 2.500 2.640 . 0 0 "[ . 1 . 2]" 1
1314 1 90 VAL HA 1 91 THR HA . . 4.630 4.309 4.299 4.318 . 0 0 "[ . 1 . 2]" 1
1315 1 90 VAL HB 1 91 THR H . . 2.940 2.037 1.917 2.180 . 0 0 "[ . 1 . 2]" 1
1316 1 90 VAL HB 1 91 THR HB . . 4.520 4.096 3.920 4.294 . 0 0 "[ . 1 . 2]" 1
1317 1 90 VAL MG1 1 91 THR H . . 3.610 3.556 3.431 3.607 . 0 0 "[ . 1 . 2]" 1
1318 1 90 VAL MG2 1 91 THR H . . 3.400 3.025 2.776 3.259 . 0 0 "[ . 1 . 2]" 1
1319 1 90 VAL MG2 1 91 THR HB . . 4.470 4.175 3.835 4.455 . 0 0 "[ . 1 . 2]" 1
1320 1 90 VAL MG2 1 93 SER H . . 4.110 3.809 3.249 4.066 . 0 0 "[ . 1 . 2]" 1
1321 1 90 VAL MG2 1 93 SER HA . . 5.030 3.969 3.768 4.339 . 0 0 "[ . 1 . 2]" 1
1322 1 90 VAL MG2 1 93 SER HB2 . . 3.560 1.907 1.774 2.082 . 0 0 "[ . 1 . 2]" 1
1323 1 90 VAL MG2 1 93 SER HB3 . . 3.950 2.863 2.591 3.052 . 0 0 "[ . 1 . 2]" 1
1324 1 90 VAL MG2 1 95 PHE QE . . 3.740 2.571 2.259 2.976 . 0 0 "[ . 1 . 2]" 1
1325 1 90 VAL MG2 1 95 PHE HZ . . 4.860 2.532 1.951 3.568 . 0 0 "[ . 1 . 2]" 1
1326 1 91 THR H 1 91 THR HB . . 3.040 2.653 2.346 2.804 . 0 0 "[ . 1 . 2]" 1
1327 1 91 THR H 1 91 THR MG . . 3.790 3.693 2.489 3.770 . 0 0 "[ . 1 . 2]" 1
1328 1 91 THR HA 1 91 THR MG . . 3.290 2.348 2.148 3.192 . 0 0 "[ . 1 . 2]" 1
1329 1 91 THR HA 1 92 GLY H . . 2.810 2.185 2.145 2.265 . 0 0 "[ . 1 . 2]" 1
1330 1 91 THR HA 1 92 GLY HA2 . . 4.610 4.402 4.385 4.426 . 0 0 "[ . 1 . 2]" 1
1331 1 91 THR HA 1 92 GLY QA . . 4.050 3.943 3.911 3.986 . 0 0 "[ . 1 . 2]" 1
1332 1 91 THR HA 1 92 GLY HA3 . . 4.610 4.452 4.395 4.535 . 0 0 "[ . 1 . 2]" 1
1333 1 91 THR HA 1 93 SER H . . 3.860 3.617 3.335 3.845 . 0 0 "[ . 1 . 2]" 1
1334 1 91 THR HB 1 92 GLY H . . 4.190 4.044 3.688 4.190 . 16 0 "[ . 1 . 2]" 1
1335 1 91 THR MG 1 92 GLY H . . 3.700 2.452 2.078 3.588 . 0 0 "[ . 1 . 2]" 1
1336 1 92 GLY H 1 93 SER H . . 3.500 2.673 2.308 3.047 . 0 0 "[ . 1 . 2]" 1
1337 1 92 GLY QA 1 95 PHE QE . . 3.740 2.751 2.347 3.025 . 0 0 "[ . 1 . 2]" 1
1338 1 92 GLY HA2 1 95 PHE QE . . 4.610 4.328 3.925 4.523 . 0 0 "[ . 1 . 2]" 1
1339 1 92 GLY HA3 1 95 PHE QE . . 4.610 2.783 2.365 3.075 . 0 0 "[ . 1 . 2]" 1
1340 1 93 SER H 1 93 SER HB2 . . 3.440 2.709 2.597 2.817 . 0 0 "[ . 1 . 2]" 1
1341 1 93 SER H 1 93 SER HB3 . . 3.230 2.930 2.843 2.983 . 0 0 "[ . 1 . 2]" 1
1342 1 93 SER H 1 93 SER HG . . 4.710 4.654 4.563 4.721 0.011 15 0 "[ . 1 . 2]" 1
1343 1 93 SER H 1 94 PRO HA . . 5.360 4.805 4.800 4.808 . 0 0 "[ . 1 . 2]" 1
1344 1 93 SER HA 1 94 PRO HA . . 3.440 2.213 2.199 2.217 . 0 0 "[ . 1 . 2]" 1
1345 1 93 SER HA 1 94 PRO HB2 . . 5.010 4.307 4.301 4.309 . 0 0 "[ . 1 . 2]" 1
1346 1 93 SER HA 1 94 PRO HB3 . . 4.860 4.353 4.342 4.357 . 0 0 "[ . 1 . 2]" 1
1347 1 93 SER HA 1 95 PHE H . . 3.910 3.270 2.858 3.629 . 0 0 "[ . 1 . 2]" 1
1348 1 93 SER HA 1 95 PHE QD . . 4.080 3.634 3.344 3.768 . 0 0 "[ . 1 . 2]" 1
1349 1 93 SER HA 1 95 PHE QE . . 4.590 3.880 3.595 4.156 . 0 0 "[ . 1 . 2]" 1
1350 1 93 SER HB2 1 94 PRO HA . . 4.460 3.804 3.772 3.808 . 0 0 "[ . 1 . 2]" 1
1351 1 93 SER HB2 1 95 PHE QD . . 4.660 4.466 4.089 4.659 . 0 0 "[ . 1 . 2]" 1
1352 1 93 SER HB2 1 95 PHE QE . . 3.970 3.345 2.857 3.586 . 0 0 "[ . 1 . 2]" 1
1353 1 93 SER HB3 1 94 PRO HA . . 4.960 3.471 3.449 3.567 . 0 0 "[ . 1 . 2]" 1
1354 1 93 SER HB3 1 95 PHE QE . . 5.070 4.727 4.334 4.997 . 0 0 "[ . 1 . 2]" 1
1355 1 93 SER HG 1 94 PRO HA . . 4.290 2.480 2.027 3.057 . 0 0 "[ . 1 . 2]" 1
1356 1 94 PRO HA 1 95 PHE H . . 3.200 2.414 2.252 2.609 . 0 0 "[ . 1 . 2]" 1
1357 1 94 PRO HA 1 95 PHE QD . . 4.450 3.738 3.441 4.015 . 0 0 "[ . 1 . 2]" 1
1358 1 94 PRO HB2 1 95 PHE H . . 3.930 2.590 2.136 3.035 . 0 0 "[ . 1 . 2]" 1
1359 1 94 PRO HB3 1 95 PHE H . . 4.280 3.447 3.234 3.686 . 0 0 "[ . 1 . 2]" 1
1360 1 94 PRO QG 1 95 PHE H . . 4.970 4.143 3.807 4.427 . 0 0 "[ . 1 . 2]" 1
1361 1 95 PHE H 1 95 PHE HB2 . . 4.160 2.533 2.401 2.677 . 0 0 "[ . 1 . 2]" 1
1362 1 95 PHE H 1 95 PHE QB . . 3.530 2.491 2.369 2.625 . 0 0 "[ . 1 . 2]" 1
1363 1 95 PHE H 1 95 PHE HB3 . . 4.160 3.691 3.615 3.793 . 0 0 "[ . 1 . 2]" 1
1364 1 95 PHE H 1 95 PHE QD . . 3.550 2.729 2.402 2.945 . 0 0 "[ . 1 . 2]" 1
1365 1 95 PHE HA 1 95 PHE QD . . 3.870 2.785 2.657 2.969 . 0 0 "[ . 1 . 2]" 1
1366 1 95 PHE HA 1 96 GLN H . . 3.110 2.175 2.140 2.309 . 0 0 "[ . 1 . 2]" 1
1367 1 95 PHE QB 1 96 GLN H . . 3.480 3.219 2.624 3.487 0.007 20 0 "[ . 1 . 2]" 1
1368 1 95 PHE HB2 1 96 GLN H . . 4.340 4.211 3.814 4.363 0.023 6 0 "[ . 1 . 2]" 1
1369 1 95 PHE HB3 1 96 GLN H . . 4.340 3.349 2.670 3.670 . 0 0 "[ . 1 . 2]" 1
1370 1 95 PHE QD 1 96 GLN H . . 4.410 4.149 3.608 4.416 0.006 6 0 "[ . 1 . 2]" 1
1371 1 96 GLN H 1 96 GLN HB2 . . 3.730 2.427 2.331 2.606 . 0 0 "[ . 1 . 2]" 1
1372 1 96 GLN H 1 96 GLN QB . . 3.120 2.355 2.246 2.554 . 0 0 "[ . 1 . 2]" 1
1373 1 96 GLN H 1 96 GLN HB3 . . 3.730 3.266 2.846 3.663 . 0 0 "[ . 1 . 2]" 1
1374 1 96 GLN H 1 96 GLN HG2 . . 4.660 4.478 4.199 4.620 . 0 0 "[ . 1 . 2]" 1
1375 1 96 GLN H 1 96 GLN QG . . 3.890 3.640 2.947 3.953 0.063 20 0 "[ . 1 . 2]" 1
1376 1 96 GLN H 1 96 GLN HG3 . . 4.660 3.893 3.010 4.369 . 0 0 "[ . 1 . 2]" 1
1377 1 96 GLN HA 1 96 GLN HG2 . . 4.170 2.494 2.334 2.843 . 0 0 "[ . 1 . 2]" 1
1378 1 96 GLN HA 1 96 GLN QG . . 3.640 2.285 2.235 2.366 . 0 0 "[ . 1 . 2]" 1
1379 1 96 GLN HA 1 96 GLN HG3 . . 4.170 2.691 2.358 2.859 . 0 0 "[ . 1 . 2]" 1
1380 1 96 GLN HA 1 97 PHE H . . 3.020 2.172 2.147 2.216 . 0 0 "[ . 1 . 2]" 1
1381 1 96 GLN QB 1 97 PHE H . . 3.730 3.359 2.979 3.665 . 0 0 "[ . 1 . 2]" 1
1382 1 96 GLN HB2 1 97 PHE H . . 4.590 4.339 4.217 4.416 . 0 0 "[ . 1 . 2]" 1
1383 1 96 GLN HB3 1 97 PHE H . . 4.590 3.512 3.046 3.915 . 0 0 "[ . 1 . 2]" 1
1384 1 96 GLN HG2 1 97 PHE H . . 4.740 3.261 2.433 4.010 . 0 0 "[ . 1 . 2]" 1
1385 1 96 GLN HG3 1 97 PHE H . . 4.740 4.286 3.369 4.734 . 0 0 "[ . 1 . 2]" 1
1386 1 97 PHE H 1 97 PHE HB2 . . 4.200 3.964 3.917 3.993 . 0 0 "[ . 1 . 2]" 1
1387 1 97 PHE H 1 97 PHE HB3 . . 4.200 3.300 3.186 3.403 . 0 0 "[ . 1 . 2]" 1
1388 1 97 PHE H 1 97 PHE QD . . 4.200 2.952 2.459 3.445 . 0 0 "[ . 1 . 2]" 1
1389 1 97 PHE HA 1 98 THR H . . 3.110 2.222 2.170 2.359 . 0 0 "[ . 1 . 2]" 1
1390 1 97 PHE QB 1 98 THR H . . 3.590 2.905 2.511 3.071 . 0 0 "[ . 1 . 2]" 1
1391 1 97 PHE HB2 1 98 THR H . . 4.180 2.971 2.545 3.163 . 0 0 "[ . 1 . 2]" 1
1392 1 97 PHE HB3 1 98 THR H . . 4.180 4.112 3.845 4.184 0.004 11 0 "[ . 1 . 2]" 1
1393 1 97 PHE QD 1 98 THR H . . 4.670 3.681 3.225 4.142 . 0 0 "[ . 1 . 2]" 1
1394 1 98 THR H 1 98 THR HB . . 3.320 2.601 2.530 2.718 . 0 0 "[ . 1 . 2]" 1
1395 1 98 THR H 1 98 THR MG . . 4.230 3.655 2.162 3.843 . 0 0 "[ . 1 . 2]" 1
1396 1 98 THR HA 1 98 THR MG . . 3.420 2.398 2.139 3.199 . 0 0 "[ . 1 . 2]" 1
1397 1 98 THR HA 1 99 VAL H . . 2.910 2.189 2.144 2.249 . 0 0 "[ . 1 . 2]" 1
1398 1 98 THR HA 1 99 VAL HB . . 4.930 4.765 4.624 4.868 . 0 0 "[ . 1 . 2]" 1
1399 1 98 THR HA 1 99 VAL MG2 . . 4.430 3.434 3.246 3.609 . 0 0 "[ . 1 . 2]" 1
1400 1 98 THR HB 1 99 VAL H . . 4.310 4.028 3.787 4.245 . 0 0 "[ . 1 . 2]" 1
1401 1 98 THR MG 1 99 VAL H . . 3.530 2.461 1.890 3.528 . 0 0 "[ . 1 . 2]" 1
1402 1 99 VAL H 1 99 VAL HB . . 3.240 2.686 2.596 2.802 . 0 0 "[ . 1 . 2]" 1
1403 1 99 VAL H 1 99 VAL MG1 . . 4.220 3.847 3.775 3.900 . 0 0 "[ . 1 . 2]" 1
1404 1 99 VAL H 1 99 VAL MG2 . . 3.520 2.421 2.049 2.743 . 0 0 "[ . 1 . 2]" 1
1405 1 99 VAL H 1 100 GLY H . . 4.600 4.541 4.494 4.608 0.008 15 0 "[ . 1 . 2]" 1
1406 1 99 VAL HA 1 99 VAL MG1 . . 3.250 2.265 2.194 2.441 . 0 0 "[ . 1 . 2]" 1
1407 1 99 VAL HA 1 99 VAL MG2 . . 3.480 2.452 2.360 2.543 . 0 0 "[ . 1 . 2]" 1
1408 1 99 VAL HA 1 100 GLY H . . 2.930 2.330 2.218 2.426 . 0 0 "[ . 1 . 2]" 1
1409 1 99 VAL HB 1 100 GLY H . . 4.750 3.598 3.372 3.964 . 0 0 "[ . 1 . 2]" 1
1410 1 99 VAL MG1 1 100 GLY H . . 3.580 1.980 1.805 2.314 . 0 0 "[ . 1 . 2]" 1
1411 1 99 VAL MG1 1 100 GLY HA2 . . 4.760 3.709 3.223 4.005 . 0 0 "[ . 1 . 2]" 1
1412 1 99 VAL MG1 1 100 GLY HA3 . . 4.720 3.906 3.597 4.109 . 0 0 "[ . 1 . 2]" 1
1413 1 99 VAL MG1 1 101 PRO HA . . 5.320 4.528 4.313 4.702 . 0 0 "[ . 1 . 2]" 1
1414 1 99 VAL MG2 1 100 GLY H . . 4.310 3.944 3.823 4.091 . 0 0 "[ . 1 . 2]" 1
1415 1 100 GLY H 1 101 PRO HD2 . . 4.980 4.825 4.790 4.839 . 0 0 "[ . 1 . 2]" 1
1416 1 100 GLY H 1 101 PRO QD . . 4.380 4.325 4.210 4.373 . 0 0 "[ . 1 . 2]" 1
1417 1 100 GLY H 1 101 PRO HD3 . . 4.980 4.890 4.666 4.999 0.019 6 0 "[ . 1 . 2]" 1
1418 1 100 GLY HA2 1 101 PRO HD2 . . 3.370 2.284 2.215 2.409 . 0 0 "[ . 1 . 2]" 1
1419 1 100 GLY HA2 1 101 PRO HD3 . . 3.370 2.266 2.255 2.302 . 0 0 "[ . 1 . 2]" 1
1420 1 100 GLY HA2 1 101 PRO QG . . 4.640 3.931 3.892 4.006 . 0 0 "[ . 1 . 2]" 1
1421 1 100 GLY HA3 1 101 PRO HD2 . . 3.940 2.757 2.620 2.836 . 0 0 "[ . 1 . 2]" 1
1422 1 100 GLY HA3 1 101 PRO QD . . 3.090 2.674 2.549 2.746 . 0 0 "[ . 1 . 2]" 1
1423 1 100 GLY HA3 1 101 PRO HD3 . . 3.940 3.605 3.493 3.669 . 0 0 "[ . 1 . 2]" 1
1424 1 101 PRO HA 1 102 LEU H . . 2.850 2.458 2.217 2.670 . 0 0 "[ . 1 . 2]" 1
1425 1 101 PRO HA 1 102 LEU HA . . 4.510 4.367 4.307 4.496 . 0 0 "[ . 1 . 2]" 1
1426 1 101 PRO QB 1 102 LEU H . . 3.200 2.432 1.989 3.014 . 0 0 "[ . 1 . 2]" 1
1427 1 101 PRO HB2 1 102 LEU H . . 3.790 2.498 2.009 3.170 . 0 0 "[ . 1 . 2]" 1
1428 1 101 PRO HB3 1 102 LEU H . . 3.790 3.408 3.185 3.767 . 0 0 "[ . 1 . 2]" 1
1429 1 102 LEU H 1 102 LEU QB . . 2.940 2.354 2.161 2.933 . 0 0 "[ . 1 . 2]" 1
1430 1 102 LEU H 1 102 LEU QD . . 4.050 3.206 1.857 3.831 . 0 0 "[ . 1 . 2]" 1
1431 1 102 LEU H 1 102 LEU HG . . 4.610 3.805 2.165 4.584 . 0 0 "[ . 1 . 2]" 1
1432 1 102 LEU HA 1 102 LEU MD1 . . 4.590 3.320 2.113 4.082 . 0 0 "[ . 1 . 2]" 1
1433 1 102 LEU HA 1 102 LEU QD . . 3.920 2.682 1.930 3.392 . 0 0 "[ . 1 . 2]" 1
1434 1 102 LEU HA 1 102 LEU MD2 . . 4.590 3.225 1.957 4.103 . 0 0 "[ . 1 . 2]" 1
1435 1 102 LEU HA 1 102 LEU HG . . 4.090 3.011 2.302 3.721 . 0 0 "[ . 1 . 2]" 1
1436 1 102 LEU HA 1 103 GLY H . . 3.050 2.268 2.143 2.546 . 0 0 "[ . 1 . 2]" 1
1437 1 102 LEU QB 1 102 LEU MD1 . . 3.240 2.074 1.962 2.214 . 0 0 "[ . 1 . 2]" 1
1438 1 102 LEU QB 1 102 LEU QD . . 2.810 1.860 1.780 1.980 . 0 0 "[ . 1 . 2]" 1
1439 1 102 LEU QB 1 102 LEU MD2 . . 3.240 2.114 1.963 2.364 . 0 0 "[ . 1 . 2]" 1
1440 1 102 LEU QB 1 103 GLY H . . 3.860 3.140 2.306 3.860 . 0 0 "[ . 1 . 2]" 1
1441 1 102 LEU QD 1 103 GLY H . . 4.340 2.996 2.196 4.142 . 0 0 "[ . 1 . 2]" 1
1442 1 102 LEU MD1 1 103 GLY H . . 5.150 3.826 2.207 5.010 . 0 0 "[ . 1 . 2]" 1
1443 1 102 LEU MD2 1 103 GLY H . . 5.150 3.689 2.423 4.934 . 0 0 "[ . 1 . 2]" 1
1444 1 103 GLY H 1 104 GLU H . . 4.850 3.935 2.107 4.564 . 0 0 "[ . 1 . 2]" 1
1445 1 104 GLU H 1 104 GLU QB . . 3.500 2.497 2.192 3.035 . 0 0 "[ . 1 . 2]" 1
1446 1 104 GLU H 1 104 GLU QG . . 4.670 3.539 2.011 4.411 . 0 0 "[ . 1 . 2]" 1
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