NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
398951 |
1ttx   |
6705 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ttx
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 1688
_Distance_constraint_stats_list.Viol_count 775
_Distance_constraint_stats_list.Viol_total 528.347
_Distance_constraint_stats_list.Viol_max 0.139
_Distance_constraint_stats_list.Viol_rms 0.0063
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0341
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.751 0.084 20 0 "[ . 1 . 2]"
1 2 SER 0.332 0.042 19 0 "[ . 1 . 2]"
1 3 ILE 0.636 0.065 6 0 "[ . 1 . 2]"
1 4 THR 0.785 0.084 20 0 "[ . 1 . 2]"
1 5 ASP 0.202 0.052 10 0 "[ . 1 . 2]"
1 6 VAL 0.485 0.051 17 0 "[ . 1 . 2]"
1 7 LEU 0.360 0.041 14 0 "[ . 1 . 2]"
1 8 SER 0.003 0.003 19 0 "[ . 1 . 2]"
1 9 ALA 1.019 0.079 9 0 "[ . 1 . 2]"
1 10 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ASP 1.145 0.076 17 0 "[ . 1 . 2]"
1 12 ILE 4.177 0.082 14 0 "[ . 1 . 2]"
1 13 ALA 0.465 0.029 4 0 "[ . 1 . 2]"
1 14 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ALA 1.109 0.067 12 0 "[ . 1 . 2]"
1 16 LEU 0.905 0.067 12 0 "[ . 1 . 2]"
1 17 GLN 0.175 0.031 15 0 "[ . 1 . 2]"
1 18 GLU 0.009 0.009 19 0 "[ . 1 . 2]"
1 19 CYS 0.421 0.062 10 0 "[ . 1 . 2]"
1 20 ARG 0.840 0.076 19 0 "[ . 1 . 2]"
1 21 ASP 1.081 0.076 19 0 "[ . 1 . 2]"
1 22 PRO 0.075 0.075 19 0 "[ . 1 . 2]"
1 23 ASP 0.075 0.075 19 0 "[ . 1 . 2]"
1 24 THR 0.932 0.091 11 0 "[ . 1 . 2]"
1 25 PHE 0.729 0.091 11 0 "[ . 1 . 2]"
1 26 GLU 0.525 0.051 11 0 "[ . 1 . 2]"
1 27 PRO 0.317 0.051 11 0 "[ . 1 . 2]"
1 28 GLN 0.354 0.101 15 0 "[ . 1 . 2]"
1 29 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 PHE 0.038 0.013 8 0 "[ . 1 . 2]"
1 31 PHE 0.674 0.091 12 0 "[ . 1 . 2]"
1 32 GLN 0.328 0.069 15 0 "[ . 1 . 2]"
1 33 THR 0.863 0.058 3 0 "[ . 1 . 2]"
1 34 SER 0.924 0.063 18 0 "[ . 1 . 2]"
1 35 GLY 2.509 0.139 4 0 "[ . 1 . 2]"
1 36 LEU 1.034 0.089 4 0 "[ . 1 . 2]"
1 37 SER 1.126 0.069 15 0 "[ . 1 . 2]"
1 38 LYS 1.714 0.062 3 0 "[ . 1 . 2]"
1 39 MET 2.124 0.139 4 0 "[ . 1 . 2]"
1 40 SER 0.354 0.094 20 0 "[ . 1 . 2]"
1 41 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ASN 0.329 0.094 20 0 "[ . 1 . 2]"
1 43 GLN 0.096 0.024 20 0 "[ . 1 . 2]"
1 44 VAL 2.782 0.102 7 0 "[ . 1 . 2]"
1 45 LYS 0.236 0.057 3 0 "[ . 1 . 2]"
1 46 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 VAL 1.490 0.100 12 0 "[ . 1 . 2]"
1 48 PHE 0.236 0.057 3 0 "[ . 1 . 2]"
1 49 ARG 0.043 0.036 4 0 "[ . 1 . 2]"
1 50 PHE 0.150 0.027 17 0 "[ . 1 . 2]"
1 51 ILE 0.205 0.036 4 0 "[ . 1 . 2]"
1 52 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ASN 0.008 0.008 18 0 "[ . 1 . 2]"
1 54 ASP 0.197 0.027 18 0 "[ . 1 . 2]"
1 55 GLN 0.189 0.027 18 0 "[ . 1 . 2]"
1 56 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 TYR 0.921 0.091 6 0 "[ . 1 . 2]"
1 59 LEU 0.042 0.042 8 0 "[ . 1 . 2]"
1 60 ASP 0.879 0.091 6 0 "[ . 1 . 2]"
1 61 GLU 0.840 0.090 16 0 "[ . 1 . 2]"
1 62 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 LYS 0.105 0.061 10 0 "[ . 1 . 2]"
1 66 PHE 0.670 0.061 11 0 "[ . 1 . 2]"
1 67 PHE 0.031 0.031 11 0 "[ . 1 . 2]"
1 68 LEU 0.006 0.006 10 0 "[ . 1 . 2]"
1 69 GLN 1.202 0.096 11 0 "[ . 1 . 2]"
1 70 LYS 0.019 0.019 17 0 "[ . 1 . 2]"
1 71 PHE 0.081 0.065 6 0 "[ . 1 . 2]"
1 72 GLU 0.016 0.016 16 0 "[ . 1 . 2]"
1 73 SER 0.276 0.056 7 0 "[ . 1 . 2]"
1 74 GLY 0.702 0.086 17 0 "[ . 1 . 2]"
1 75 ALA 0.085 0.020 7 0 "[ . 1 . 2]"
1 76 ARG 0.304 0.053 11 0 "[ . 1 . 2]"
1 77 GLU 0.588 0.096 11 0 "[ . 1 . 2]"
1 78 LEU 0.644 0.061 10 0 "[ . 1 . 2]"
1 79 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 GLU 0.183 0.072 14 0 "[ . 1 . 2]"
1 83 THR 0.276 0.072 14 0 "[ . 1 . 2]"
1 84 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 SER 0.115 0.043 8 0 "[ . 1 . 2]"
1 86 LEU 0.021 0.013 9 0 "[ . 1 . 2]"
1 87 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 ALA 0.105 0.052 15 0 "[ . 1 . 2]"
1 91 ASP 0.041 0.017 14 0 "[ . 1 . 2]"
1 92 ASN 0.035 0.013 20 0 "[ . 1 . 2]"
1 93 ASP 0.039 0.021 10 0 "[ . 1 . 2]"
1 94 GLY 0.059 0.021 10 0 "[ . 1 . 2]"
1 95 ASP 0.008 0.008 14 0 "[ . 1 . 2]"
1 96 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 LYS 0.028 0.016 20 0 "[ . 1 . 2]"
1 98 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 GLY 0.025 0.017 14 0 "[ . 1 . 2]"
1 100 ALA 0.722 0.061 4 0 "[ . 1 . 2]"
1 101 GLU 0.722 0.061 4 0 "[ . 1 . 2]"
1 102 GLU 0.014 0.011 8 0 "[ . 1 . 2]"
1 103 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 GLN 2.107 0.102 7 0 "[ . 1 . 2]"
1 105 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 MET 0.105 0.052 15 0 "[ . 1 . 2]"
1 107 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 HIS 1.870 0.073 14 0 "[ . 1 . 2]"
1 109 SER 0.680 0.073 19 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 2 SER H . . 3.600 2.716 2.156 3.619 0.019 8 0 "[ . 1 . 2]" 1
2 1 1 MET HA 1 2 SER HA . . 4.600 4.510 4.314 4.626 0.026 11 0 "[ . 1 . 2]" 1
3 1 1 MET HA 1 2 SER QB . . 6.800 4.607 4.049 5.352 . 0 0 "[ . 1 . 2]" 1
4 1 1 MET HA 1 4 THR H . . 6.500 5.793 3.998 6.584 0.084 20 0 "[ . 1 . 2]" 1
5 1 1 MET HA 1 5 ASP QB . . 6.900 3.955 2.883 4.986 . 0 0 "[ . 1 . 2]" 1
6 1 1 MET QB 1 2 SER HA . . 6.290 4.289 3.580 5.182 . 0 0 "[ . 1 . 2]" 1
7 1 1 MET HB2 1 2 SER H . . 5.000 3.709 2.275 4.571 . 0 0 "[ . 1 . 2]" 1
8 1 1 MET HB2 1 2 SER HA . . 6.500 4.994 3.883 6.253 . 0 0 "[ . 1 . 2]" 1
9 1 1 MET HB2 1 3 ILE H . . 6.500 6.348 5.585 6.549 0.049 4 0 "[ . 1 . 2]" 1
10 1 1 MET HB3 1 2 SER H . . 5.000 3.042 2.083 4.691 . 0 0 "[ . 1 . 2]" 1
11 1 1 MET HB3 1 2 SER HA . . 6.500 4.758 4.102 6.225 . 0 0 "[ . 1 . 2]" 1
12 1 1 MET HB3 1 3 ILE H . . 6.500 5.973 4.102 6.529 0.029 1 0 "[ . 1 . 2]" 1
13 1 1 MET QG 1 2 SER H . . 6.700 3.897 1.965 4.489 . 0 0 "[ . 1 . 2]" 1
14 1 1 MET QG 1 5 ASP H . . 7.500 5.998 4.099 6.706 . 0 0 "[ . 1 . 2]" 1
15 1 2 SER H 1 3 ILE H . . 5.200 3.494 2.240 4.385 . 0 0 "[ . 1 . 2]" 1
16 1 2 SER H 1 3 ILE MG . . 7.500 4.956 4.203 5.619 . 0 0 "[ . 1 . 2]" 1
17 1 2 SER H 1 5 ASP H . . 5.700 3.569 2.662 5.228 . 0 0 "[ . 1 . 2]" 1
18 1 2 SER H 1 5 ASP HA . . 6.500 5.663 4.947 6.471 . 0 0 "[ . 1 . 2]" 1
19 1 2 SER H 1 5 ASP QB . . 6.900 3.302 2.016 4.659 . 0 0 "[ . 1 . 2]" 1
20 1 2 SER H 1 6 VAL H . . 6.100 5.346 3.335 6.142 0.042 19 0 "[ . 1 . 2]" 1
21 1 2 SER H 1 6 VAL QG . . 8.260 4.293 2.426 5.622 . 0 0 "[ . 1 . 2]" 1
22 1 2 SER HA 1 3 ILE HB . . 6.500 6.154 5.604 6.532 0.032 7 0 "[ . 1 . 2]" 1
23 1 2 SER HA 1 3 ILE QG . . 7.380 5.219 4.474 5.986 . 0 0 "[ . 1 . 2]" 1
24 1 2 SER HA 1 4 THR H . . 4.900 4.646 4.295 4.940 0.040 8 0 "[ . 1 . 2]" 1
25 1 2 SER QB 1 4 THR MG . . 8.400 3.366 2.175 4.939 . 0 0 "[ . 1 . 2]" 1
26 1 2 SER QB 1 5 ASP H . . 6.300 4.807 3.660 5.642 . 0 0 "[ . 1 . 2]" 1
27 1 3 ILE H 1 3 ILE HB . . 4.000 3.606 3.527 3.787 . 0 0 "[ . 1 . 2]" 1
28 1 3 ILE H 1 3 ILE MD . . 5.400 3.811 2.118 4.788 . 0 0 "[ . 1 . 2]" 1
29 1 3 ILE H 1 3 ILE MG . . 3.400 2.048 1.841 2.582 . 0 0 "[ . 1 . 2]" 1
30 1 3 ILE H 1 4 THR H . . 4.200 2.716 2.134 3.583 . 0 0 "[ . 1 . 2]" 1
31 1 3 ILE H 1 4 THR HA . . 6.500 5.238 4.705 5.780 . 0 0 "[ . 1 . 2]" 1
32 1 3 ILE H 1 4 THR HB . . 6.100 4.813 4.035 6.096 . 0 0 "[ . 1 . 2]" 1
33 1 3 ILE H 1 5 ASP H . . 5.900 4.407 3.966 5.267 . 0 0 "[ . 1 . 2]" 1
34 1 3 ILE H 1 6 VAL H . . 6.500 5.697 4.679 6.528 0.028 12 0 "[ . 1 . 2]" 1
35 1 3 ILE H 1 50 PHE QB . . 7.500 4.973 4.478 5.937 . 0 0 "[ . 1 . 2]" 1
36 1 3 ILE HA 1 3 ILE MD . . 4.600 3.704 3.416 4.125 . 0 0 "[ . 1 . 2]" 1
37 1 3 ILE HA 1 4 THR HA . . 5.700 4.863 4.699 5.060 . 0 0 "[ . 1 . 2]" 1
38 1 3 ILE HA 1 4 THR HB . . 6.500 5.719 5.448 6.539 0.039 17 0 "[ . 1 . 2]" 1
39 1 3 ILE HA 1 6 VAL HB . . 5.600 2.996 2.306 5.006 . 0 0 "[ . 1 . 2]" 1
40 1 3 ILE HA 1 6 VAL QG . . 7.860 2.483 2.075 3.165 . 0 0 "[ . 1 . 2]" 1
41 1 3 ILE HA 1 47 VAL QG . . 9.060 3.781 3.579 4.185 . 0 0 "[ . 1 . 2]" 1
42 1 3 ILE HB 1 4 THR H . . 4.500 4.093 3.653 4.324 . 0 0 "[ . 1 . 2]" 1
43 1 3 ILE HB 1 4 THR HA . . 6.500 4.874 4.518 5.336 . 0 0 "[ . 1 . 2]" 1
44 1 3 ILE HB 1 4 THR HB . . 6.500 5.721 5.194 6.541 0.041 7 0 "[ . 1 . 2]" 1
45 1 3 ILE HB 1 5 ASP H . . 6.500 5.326 4.971 5.799 . 0 0 "[ . 1 . 2]" 1
46 1 3 ILE HB 1 6 VAL HB . . 6.500 4.711 3.854 6.551 0.051 17 0 "[ . 1 . 2]" 1
47 1 3 ILE HB 1 6 VAL QG . . 9.060 3.852 3.177 4.780 . 0 0 "[ . 1 . 2]" 1
48 1 3 ILE HB 1 7 LEU H . . 6.500 5.234 4.808 5.735 . 0 0 "[ . 1 . 2]" 1
49 1 3 ILE HB 1 7 LEU QB . . 7.380 6.080 5.711 6.492 . 0 0 "[ . 1 . 2]" 1
50 1 3 ILE HB 1 50 PHE QB . . 7.500 5.915 5.269 6.109 . 0 0 "[ . 1 . 2]" 1
51 1 3 ILE HB 1 71 PHE HA . . 6.400 6.207 5.626 6.465 0.065 6 0 "[ . 1 . 2]" 1
52 1 3 ILE MD 1 4 THR H . . 6.800 3.130 2.071 4.474 . 0 0 "[ . 1 . 2]" 1
53 1 3 ILE MD 1 4 THR HB . . 7.500 3.513 2.470 5.248 . 0 0 "[ . 1 . 2]" 1
54 1 3 ILE MD 1 5 ASP H . . 7.500 4.713 4.058 6.200 . 0 0 "[ . 1 . 2]" 1
55 1 3 ILE MD 1 6 VAL QG . . 9.860 4.544 3.828 5.465 . 0 0 "[ . 1 . 2]" 1
56 1 3 ILE MD 1 12 ILE HB . . 7.100 5.389 4.403 6.793 . 0 0 "[ . 1 . 2]" 1
57 1 3 ILE MD 1 12 ILE MD . . 8.500 3.039 2.099 4.564 . 0 0 "[ . 1 . 2]" 1
58 1 3 ILE MD 1 47 VAL HA . . 7.500 5.802 4.534 6.504 . 0 0 "[ . 1 . 2]" 1
59 1 3 ILE MD 1 47 VAL MG1 . . 7.300 4.113 3.123 4.463 . 0 0 "[ . 1 . 2]" 1
60 1 3 ILE MD 1 47 VAL MG2 . . 7.300 5.052 3.937 5.639 . 0 0 "[ . 1 . 2]" 1
61 1 3 ILE MD 1 50 PHE QB . . 7.800 5.346 3.605 6.011 . 0 0 "[ . 1 . 2]" 1
62 1 3 ILE MD 1 51 ILE MD . . 8.500 4.192 2.054 4.932 . 0 0 "[ . 1 . 2]" 1
63 1 3 ILE MD 1 70 LYS QG . . 8.380 6.185 4.753 6.740 . 0 0 "[ . 1 . 2]" 1
64 1 3 ILE MD 1 71 PHE HA . . 6.100 2.978 2.084 3.872 . 0 0 "[ . 1 . 2]" 1
65 1 3 ILE MD 1 71 PHE QB . . 8.500 2.614 2.033 3.686 . 0 0 "[ . 1 . 2]" 1
66 1 3 ILE QG 1 4 THR H . . 7.380 2.333 1.962 2.957 . 0 0 "[ . 1 . 2]" 1
67 1 3 ILE QG 1 4 THR HB . . 7.380 3.436 2.988 4.794 . 0 0 "[ . 1 . 2]" 1
68 1 3 ILE QG 1 12 ILE MD . . 6.780 4.494 3.480 5.876 . 0 0 "[ . 1 . 2]" 1
69 1 3 ILE QG 1 71 PHE HA . . 6.000 3.596 3.069 4.445 . 0 0 "[ . 1 . 2]" 1
70 1 3 ILE HG12 1 50 PHE QB . . 7.500 4.806 3.429 6.706 . 0 0 "[ . 1 . 2]" 1
71 1 3 ILE HG12 1 71 PHE HA . . 6.500 4.178 3.284 5.249 . 0 0 "[ . 1 . 2]" 1
72 1 3 ILE HG13 1 50 PHE QB . . 7.500 5.563 4.695 6.462 . 0 0 "[ . 1 . 2]" 1
73 1 3 ILE HG13 1 71 PHE HA . . 6.500 3.971 3.374 4.978 . 0 0 "[ . 1 . 2]" 1
74 1 3 ILE MG 1 4 THR H . . 4.700 3.883 3.567 3.974 . 0 0 "[ . 1 . 2]" 1
75 1 3 ILE MG 1 5 ASP H . . 6.700 5.240 4.976 5.584 . 0 0 "[ . 1 . 2]" 1
76 1 3 ILE MG 1 47 VAL HA . . 7.500 2.908 2.543 3.085 . 0 0 "[ . 1 . 2]" 1
77 1 3 ILE MG 1 47 VAL QG . . 10.060 1.959 1.889 2.120 . 0 0 "[ . 1 . 2]" 1
78 1 3 ILE MG 1 50 PHE H . . 6.100 5.054 4.899 5.118 . 0 0 "[ . 1 . 2]" 1
79 1 3 ILE MG 1 50 PHE QB . . 8.500 3.251 3.071 3.350 . 0 0 "[ . 1 . 2]" 1
80 1 4 THR H 1 4 THR MG . . 3.600 2.156 1.833 2.770 . 0 0 "[ . 1 . 2]" 1
81 1 4 THR H 1 5 ASP H . . 3.800 2.867 2.544 3.374 . 0 0 "[ . 1 . 2]" 1
82 1 4 THR H 1 5 ASP HA . . 5.400 5.359 5.224 5.452 0.052 10 0 "[ . 1 . 2]" 1
83 1 4 THR H 1 5 ASP QB . . 7.400 4.388 3.610 5.252 . 0 0 "[ . 1 . 2]" 1
84 1 4 THR H 1 6 VAL H . . 5.100 4.595 3.980 5.113 0.013 15 0 "[ . 1 . 2]" 1
85 1 4 THR H 1 6 VAL QG . . 8.960 4.527 4.073 4.950 . 0 0 "[ . 1 . 2]" 1
86 1 4 THR H 1 7 LEU H . . 6.500 5.805 5.519 6.084 . 0 0 "[ . 1 . 2]" 1
87 1 4 THR HA 1 5 ASP HA . . 6.100 4.611 4.292 4.834 . 0 0 "[ . 1 . 2]" 1
88 1 4 THR HA 1 5 ASP QB . . 7.200 4.826 4.443 5.317 . 0 0 "[ . 1 . 2]" 1
89 1 4 THR HA 1 6 VAL H . . 5.000 4.282 3.858 4.738 . 0 0 "[ . 1 . 2]" 1
90 1 4 THR HA 1 9 ALA H . . 5.700 3.338 2.490 4.390 . 0 0 "[ . 1 . 2]" 1
91 1 4 THR HA 1 9 ALA HA . . 4.500 3.474 2.696 4.365 . 0 0 "[ . 1 . 2]" 1
92 1 4 THR HA 1 9 ALA MB . . 6.900 2.546 2.115 3.338 . 0 0 "[ . 1 . 2]" 1
93 1 4 THR HA 1 12 ILE MD . . 6.100 3.923 2.899 5.053 . 0 0 "[ . 1 . 2]" 1
94 1 4 THR HB 1 9 ALA MB . . 6.300 4.287 2.379 5.048 . 0 0 "[ . 1 . 2]" 1
95 1 4 THR HB 1 12 ILE MD . . 6.900 4.440 2.522 6.270 . 0 0 "[ . 1 . 2]" 1
96 1 4 THR MG 1 5 ASP H . . 5.100 2.986 2.077 4.207 . 0 0 "[ . 1 . 2]" 1
97 1 4 THR MG 1 5 ASP HA . . 7.500 4.197 3.220 5.695 . 0 0 "[ . 1 . 2]" 1
98 1 4 THR MG 1 6 VAL H . . 6.000 4.784 4.362 5.635 . 0 0 "[ . 1 . 2]" 1
99 1 5 ASP H 1 6 VAL H . . 3.500 2.555 1.996 3.338 . 0 0 "[ . 1 . 2]" 1
100 1 5 ASP HA 1 6 VAL HA . . 5.500 4.551 4.306 4.941 . 0 0 "[ . 1 . 2]" 1
101 1 5 ASP HA 1 6 VAL QG . . 8.360 4.519 4.145 5.147 . 0 0 "[ . 1 . 2]" 1
102 1 5 ASP QB 1 6 VAL HA . . 7.500 4.603 3.558 4.930 . 0 0 "[ . 1 . 2]" 1
103 1 5 ASP QB 1 6 VAL QG . . 10.060 3.843 2.948 4.823 . 0 0 "[ . 1 . 2]" 1
104 1 6 VAL H 1 6 VAL QG . . 3.920 2.675 1.878 2.954 . 0 0 "[ . 1 . 2]" 1
105 1 6 VAL H 1 7 LEU HA . . 6.500 4.580 4.110 5.510 . 0 0 "[ . 1 . 2]" 1
106 1 6 VAL H 1 7 LEU HB2 . . 6.500 5.495 5.143 6.091 . 0 0 "[ . 1 . 2]" 1
107 1 6 VAL H 1 7 LEU QB . . 5.690 4.708 4.493 5.099 . 0 0 "[ . 1 . 2]" 1
108 1 6 VAL H 1 7 LEU HB3 . . 6.500 5.125 4.837 5.480 . 0 0 "[ . 1 . 2]" 1
109 1 6 VAL HA 1 7 LEU HA . . 4.800 4.801 4.698 4.838 0.038 1 0 "[ . 1 . 2]" 1
110 1 6 VAL HA 1 7 LEU QD . . 9.070 5.457 5.294 5.635 . 0 0 "[ . 1 . 2]" 1
111 1 6 VAL HA 1 43 GLN QE . . 7.270 5.642 4.329 6.494 . 0 0 "[ . 1 . 2]" 1
112 1 6 VAL HB 1 7 LEU H . . 3.700 2.869 2.152 3.706 0.006 15 0 "[ . 1 . 2]" 1
113 1 6 VAL HB 1 7 LEU QD . . 7.870 5.197 4.725 5.863 . 0 0 "[ . 1 . 2]" 1
114 1 6 VAL HB 1 43 GLN HE21 . . 5.500 5.073 4.204 5.516 0.016 3 0 "[ . 1 . 2]" 1
115 1 6 VAL HB 1 43 GLN HE22 . . 5.500 4.688 4.183 5.404 . 0 0 "[ . 1 . 2]" 1
116 1 6 VAL QG 1 7 LEU H . . 5.560 2.573 1.987 3.084 . 0 0 "[ . 1 . 2]" 1
117 1 6 VAL QG 1 7 LEU HA . . 8.660 4.012 3.792 4.267 . 0 0 "[ . 1 . 2]" 1
118 1 6 VAL QG 1 7 LEU QB . . 8.840 2.366 2.036 2.706 . 0 0 "[ . 1 . 2]" 1
119 1 6 VAL QG 1 43 GLN HA . . 7.260 5.308 5.064 5.433 . 0 0 "[ . 1 . 2]" 1
120 1 6 VAL QG 1 43 GLN QE . . 7.160 2.407 1.929 2.763 . 0 0 "[ . 1 . 2]" 1
121 1 6 VAL QG 1 43 GLN QG . . 8.360 3.559 3.150 4.217 . 0 0 "[ . 1 . 2]" 1
122 1 6 VAL QG 1 47 VAL QG . . 11.620 3.757 3.368 4.833 . 0 0 "[ . 1 . 2]" 1
123 1 6 VAL MG1 1 43 GLN HE21 . . 8.820 3.295 2.179 4.579 . 0 0 "[ . 1 . 2]" 1
124 1 6 VAL MG1 1 43 GLN HE22 . . 8.820 3.015 2.100 4.017 . 0 0 "[ . 1 . 2]" 1
125 1 6 VAL MG2 1 43 GLN HE21 . . 8.820 3.660 2.907 4.864 . 0 0 "[ . 1 . 2]" 1
126 1 6 VAL MG2 1 43 GLN HE22 . . 8.820 3.246 2.416 4.567 . 0 0 "[ . 1 . 2]" 1
127 1 7 LEU H 1 8 SER H . . 4.600 2.217 2.013 2.407 . 0 0 "[ . 1 . 2]" 1
128 1 7 LEU QB 1 9 ALA H . . 7.380 4.743 4.553 4.996 . 0 0 "[ . 1 . 2]" 1
129 1 7 LEU QB 1 11 ASP H . . 7.280 5.600 5.439 5.924 . 0 0 "[ . 1 . 2]" 1
130 1 7 LEU QD 1 8 SER H . . 7.170 2.987 2.435 3.524 . 0 0 "[ . 1 . 2]" 1
131 1 7 LEU QD 1 9 ALA H . . 9.070 4.806 4.437 5.167 . 0 0 "[ . 1 . 2]" 1
132 1 7 LEU QD 1 35 GLY H . . 8.970 5.264 4.797 5.727 . 0 0 "[ . 1 . 2]" 1
133 1 7 LEU QD 1 35 GLY QA . . 9.030 2.980 2.494 3.976 . 0 0 "[ . 1 . 2]" 1
134 1 7 LEU QD 1 37 SER H . . 9.070 6.201 5.884 6.492 . 0 0 "[ . 1 . 2]" 1
135 1 7 LEU QD 1 39 MET H . . 9.070 4.410 3.682 4.940 . 0 0 "[ . 1 . 2]" 1
136 1 7 LEU MD1 1 35 GLY HA2 . . 10.640 5.660 5.000 6.539 . 0 0 "[ . 1 . 2]" 1
137 1 7 LEU MD1 1 35 GLY HA3 . . 10.640 4.858 4.225 5.579 . 0 0 "[ . 1 . 2]" 1
138 1 7 LEU MD2 1 35 GLY HA2 . . 10.640 4.140 3.321 5.694 . 0 0 "[ . 1 . 2]" 1
139 1 7 LEU MD2 1 35 GLY HA3 . . 10.640 3.142 2.556 4.317 . 0 0 "[ . 1 . 2]" 1
140 1 7 LEU HG 1 12 ILE H . . 6.500 6.461 6.163 6.541 0.041 14 0 "[ . 1 . 2]" 1
141 1 8 SER H 1 9 ALA H . . 5.300 3.193 2.950 3.293 . 0 0 "[ . 1 . 2]" 1
142 1 8 SER H 1 11 ASP H . . 5.900 4.925 4.784 5.141 . 0 0 "[ . 1 . 2]" 1
143 1 8 SER H 1 11 ASP QB . . 7.300 4.739 4.482 5.005 . 0 0 "[ . 1 . 2]" 1
144 1 8 SER H 1 12 ILE H . . 6.300 6.015 5.940 6.119 . 0 0 "[ . 1 . 2]" 1
145 1 8 SER H 1 12 ILE MD . . 7.500 6.415 5.894 7.219 . 0 0 "[ . 1 . 2]" 1
146 1 8 SER H 1 12 ILE MG . . 7.500 5.570 5.337 5.865 . 0 0 "[ . 1 . 2]" 1
147 1 8 SER HA 1 9 ALA HA . . 5.700 4.928 4.861 5.033 . 0 0 "[ . 1 . 2]" 1
148 1 8 SER HA 1 10 ASP H . . 5.200 4.002 3.777 4.187 . 0 0 "[ . 1 . 2]" 1
149 1 8 SER HA 1 11 ASP H . . 5.700 2.958 2.643 3.180 . 0 0 "[ . 1 . 2]" 1
150 1 8 SER HA 1 12 ILE H . . 6.500 3.760 3.638 3.898 . 0 0 "[ . 1 . 2]" 1
151 1 8 SER QB 1 9 ALA MB . . 8.380 4.385 4.160 4.734 . 0 0 "[ . 1 . 2]" 1
152 1 8 SER QB 1 10 ASP H . . 6.190 4.933 4.822 5.021 . 0 0 "[ . 1 . 2]" 1
153 1 8 SER QB 1 10 ASP QB . . 8.180 5.915 5.778 6.004 . 0 0 "[ . 1 . 2]" 1
154 1 8 SER QB 1 11 ASP H . . 5.130 4.461 4.270 4.593 . 0 0 "[ . 1 . 2]" 1
155 1 8 SER QB 1 11 ASP QB . . 6.760 3.363 2.954 3.865 . 0 0 "[ . 1 . 2]" 1
156 1 8 SER HB2 1 9 ALA H . . 5.000 3.243 2.835 3.798 . 0 0 "[ . 1 . 2]" 1
157 1 8 SER HB2 1 10 ASP H . . 6.400 5.409 5.249 5.597 . 0 0 "[ . 1 . 2]" 1
158 1 8 SER HB2 1 11 ASP H . . 5.400 5.247 4.802 5.403 0.003 19 0 "[ . 1 . 2]" 1
159 1 8 SER HB2 1 11 ASP QB . . 7.200 4.491 3.597 4.979 . 0 0 "[ . 1 . 2]" 1
160 1 8 SER HB3 1 9 ALA H . . 5.000 4.197 3.869 4.579 . 0 0 "[ . 1 . 2]" 1
161 1 8 SER HB3 1 10 ASP H . . 6.400 5.702 5.439 5.934 . 0 0 "[ . 1 . 2]" 1
162 1 8 SER HB3 1 11 ASP H . . 5.400 4.847 4.518 5.241 . 0 0 "[ . 1 . 2]" 1
163 1 8 SER HB3 1 11 ASP QB . . 7.200 3.492 3.043 4.032 . 0 0 "[ . 1 . 2]" 1
164 1 9 ALA H 1 9 ALA MB . . 3.400 2.191 2.084 2.225 . 0 0 "[ . 1 . 2]" 1
165 1 9 ALA H 1 10 ASP H . . 4.200 2.851 2.704 3.097 . 0 0 "[ . 1 . 2]" 1
166 1 9 ALA H 1 10 ASP HA . . 6.500 5.465 5.344 5.641 . 0 0 "[ . 1 . 2]" 1
167 1 9 ALA H 1 10 ASP QB . . 7.500 4.620 4.461 4.919 . 0 0 "[ . 1 . 2]" 1
168 1 9 ALA H 1 11 ASP H . . 6.300 4.126 4.004 4.346 . 0 0 "[ . 1 . 2]" 1
169 1 9 ALA H 1 11 ASP QB . . 7.500 5.018 4.789 5.195 . 0 0 "[ . 1 . 2]" 1
170 1 9 ALA H 1 12 ILE H . . 5.600 4.766 4.708 4.836 . 0 0 "[ . 1 . 2]" 1
171 1 9 ALA H 1 12 ILE MD . . 6.100 4.537 4.069 5.199 . 0 0 "[ . 1 . 2]" 1
172 1 9 ALA H 1 13 ALA H . . 6.500 6.090 5.862 6.283 . 0 0 "[ . 1 . 2]" 1
173 1 9 ALA HA 1 12 ILE H . . 5.200 3.736 3.651 3.827 . 0 0 "[ . 1 . 2]" 1
174 1 9 ALA HA 1 12 ILE HA . . 5.800 5.851 5.831 5.879 0.079 9 0 "[ . 1 . 2]" 1
175 1 9 ALA HA 1 12 ILE HB . . 5.300 4.972 4.875 5.072 . 0 0 "[ . 1 . 2]" 1
176 1 9 ALA HA 1 12 ILE MD . . 5.900 2.505 2.204 2.939 . 0 0 "[ . 1 . 2]" 1
177 1 9 ALA HA 1 12 ILE QG . . 7.500 2.110 2.061 2.163 . 0 0 "[ . 1 . 2]" 1
178 1 9 ALA HA 1 12 ILE MG . . 6.300 3.781 3.646 3.912 . 0 0 "[ . 1 . 2]" 1
179 1 9 ALA MB 1 11 ASP H . . 5.300 4.420 4.382 4.441 . 0 0 "[ . 1 . 2]" 1
180 1 9 ALA MB 1 12 ILE H . . 5.900 4.828 4.763 4.892 . 0 0 "[ . 1 . 2]" 1
181 1 10 ASP H 1 11 ASP H . . 3.800 2.448 2.311 2.546 . 0 0 "[ . 1 . 2]" 1
182 1 10 ASP H 1 11 ASP QB . . 6.500 4.511 4.294 4.694 . 0 0 "[ . 1 . 2]" 1
183 1 10 ASP H 1 12 ILE H . . 5.500 4.222 4.138 4.315 . 0 0 "[ . 1 . 2]" 1
184 1 10 ASP H 1 12 ILE MD . . 6.000 5.390 5.119 5.792 . 0 0 "[ . 1 . 2]" 1
185 1 10 ASP H 1 13 ALA H . . 4.900 4.753 4.659 4.878 . 0 0 "[ . 1 . 2]" 1
186 1 10 ASP HA 1 12 ILE MD . . 7.500 5.825 5.453 6.113 . 0 0 "[ . 1 . 2]" 1
187 1 10 ASP HA 1 13 ALA H . . 5.000 3.536 3.319 3.684 . 0 0 "[ . 1 . 2]" 1
188 1 10 ASP HA 1 13 ALA MB . . 3.500 2.681 2.534 2.912 . 0 0 "[ . 1 . 2]" 1
189 1 10 ASP QB 1 11 ASP HA . . 6.300 4.024 3.869 4.141 . 0 0 "[ . 1 . 2]" 1
190 1 11 ASP H 1 12 ILE H . . 3.900 2.727 2.690 2.754 . 0 0 "[ . 1 . 2]" 1
191 1 11 ASP H 1 12 ILE HB . . 6.200 6.257 6.223 6.276 0.076 17 0 "[ . 1 . 2]" 1
192 1 11 ASP H 1 12 ILE QG . . 7.500 4.050 3.903 4.222 . 0 0 "[ . 1 . 2]" 1
193 1 11 ASP H 1 12 ILE MG . . 5.500 4.383 4.250 4.519 . 0 0 "[ . 1 . 2]" 1
194 1 11 ASP H 1 13 ALA H . . 5.300 4.042 3.985 4.129 . 0 0 "[ . 1 . 2]" 1
195 1 11 ASP H 1 14 ALA H . . 6.100 4.746 4.599 4.877 . 0 0 "[ . 1 . 2]" 1
196 1 11 ASP H 1 14 ALA MB . . 6.500 4.966 4.788 5.160 . 0 0 "[ . 1 . 2]" 1
197 1 11 ASP H 1 34 SER HA . . 5.500 5.224 5.036 5.436 . 0 0 "[ . 1 . 2]" 1
198 1 11 ASP HA 1 12 ILE HA . . 6.400 4.750 4.654 4.825 . 0 0 "[ . 1 . 2]" 1
199 1 11 ASP HA 1 14 ALA H . . 4.900 3.421 3.211 3.689 . 0 0 "[ . 1 . 2]" 1
200 1 11 ASP HA 1 14 ALA MB . . 3.700 2.816 2.569 3.095 . 0 0 "[ . 1 . 2]" 1
201 1 11 ASP HA 1 15 ALA H . . 5.800 4.054 3.874 4.280 . 0 0 "[ . 1 . 2]" 1
202 1 11 ASP HA 1 33 THR MG . . 6.000 4.770 4.484 5.159 . 0 0 "[ . 1 . 2]" 1
203 1 11 ASP HA 1 34 SER HA . . 4.300 3.899 2.862 4.232 . 0 0 "[ . 1 . 2]" 1
204 1 11 ASP HA 1 34 SER QB . . 6.900 5.664 4.283 6.098 . 0 0 "[ . 1 . 2]" 1
205 1 11 ASP QB 1 12 ILE HA . . 7.000 3.988 3.590 4.678 . 0 0 "[ . 1 . 2]" 1
206 1 11 ASP QB 1 12 ILE MD . . 8.500 5.270 4.891 6.138 . 0 0 "[ . 1 . 2]" 1
207 1 11 ASP QB 1 13 ALA H . . 7.500 4.735 4.525 5.157 . 0 0 "[ . 1 . 2]" 1
208 1 11 ASP QB 1 14 ALA MB . . 7.900 4.073 3.849 4.339 . 0 0 "[ . 1 . 2]" 1
209 1 11 ASP QB 1 15 ALA H . . 7.500 4.571 4.455 4.840 . 0 0 "[ . 1 . 2]" 1
210 1 11 ASP QB 1 34 SER HA . . 6.000 2.186 2.037 2.289 . 0 0 "[ . 1 . 2]" 1
211 1 11 ASP QB 1 35 GLY H . . 7.500 3.565 3.127 4.623 . 0 0 "[ . 1 . 2]" 1
212 1 11 ASP QB 1 35 GLY HA2 . . 7.500 4.279 3.604 5.808 . 0 0 "[ . 1 . 2]" 1
213 1 11 ASP QB 1 35 GLY HA3 . . 7.500 3.386 2.965 4.817 . 0 0 "[ . 1 . 2]" 1
214 1 12 ILE H 1 12 ILE HB . . 3.500 3.571 3.559 3.582 0.082 14 0 "[ . 1 . 2]" 1
215 1 12 ILE H 1 12 ILE MD . . 4.700 3.756 3.556 3.992 . 0 0 "[ . 1 . 2]" 1
216 1 12 ILE H 1 12 ILE QG . . 4.500 2.205 2.107 2.362 . 0 0 "[ . 1 . 2]" 1
217 1 12 ILE H 1 12 ILE MG . . 3.400 2.302 2.197 2.404 . 0 0 "[ . 1 . 2]" 1
218 1 12 ILE H 1 13 ALA H . . 3.900 2.737 2.677 2.825 . 0 0 "[ . 1 . 2]" 1
219 1 12 ILE H 1 13 ALA MB . . 5.600 4.438 4.371 4.483 . 0 0 "[ . 1 . 2]" 1
220 1 12 ILE H 1 14 ALA H . . 5.400 4.288 4.119 4.381 . 0 0 "[ . 1 . 2]" 1
221 1 12 ILE H 1 15 ALA H . . 5.700 4.700 4.578 4.873 . 0 0 "[ . 1 . 2]" 1
222 1 12 ILE H 1 34 SER HA . . 5.100 4.268 3.824 4.864 . 0 0 "[ . 1 . 2]" 1
223 1 12 ILE HA 1 12 ILE MG . . 3.500 2.253 2.208 2.282 . 0 0 "[ . 1 . 2]" 1
224 1 12 ILE HA 1 13 ALA HA . . 5.700 4.833 4.797 4.873 . 0 0 "[ . 1 . 2]" 1
225 1 12 ILE HA 1 13 ALA MB . . 6.200 5.063 5.043 5.077 . 0 0 "[ . 1 . 2]" 1
226 1 12 ILE HA 1 14 ALA H . . 5.500 4.368 4.238 4.477 . 0 0 "[ . 1 . 2]" 1
227 1 12 ILE HA 1 15 ALA H . . 5.400 3.190 3.023 3.343 . 0 0 "[ . 1 . 2]" 1
228 1 12 ILE HA 1 15 ALA MB . . 4.200 2.268 2.158 2.471 . 0 0 "[ . 1 . 2]" 1
229 1 12 ILE HA 1 16 LEU H . . 5.900 3.629 3.496 3.753 . 0 0 "[ . 1 . 2]" 1
230 1 12 ILE HA 1 34 SER HA . . 4.400 3.853 3.475 4.436 0.036 15 0 "[ . 1 . 2]" 1
231 1 12 ILE HA 1 34 SER QB . . 7.500 4.444 3.913 4.918 . 0 0 "[ . 1 . 2]" 1
232 1 12 ILE HB 1 13 ALA H . . 3.800 3.818 3.804 3.829 0.029 4 0 "[ . 1 . 2]" 1
233 1 12 ILE HB 1 13 ALA HA . . 5.100 4.626 4.484 4.690 . 0 0 "[ . 1 . 2]" 1
234 1 12 ILE HB 1 13 ALA MB . . 6.600 5.085 4.921 5.133 . 0 0 "[ . 1 . 2]" 1
235 1 12 ILE HB 1 15 ALA H . . 5.400 5.183 4.982 5.400 0.000 13 0 "[ . 1 . 2]" 1
236 1 12 ILE HB 1 15 ALA MB . . 5.800 3.708 3.515 4.078 . 0 0 "[ . 1 . 2]" 1
237 1 12 ILE HB 1 71 PHE QB . . 7.500 4.251 3.336 5.317 . 0 0 "[ . 1 . 2]" 1
238 1 12 ILE MD 1 13 ALA H . . 5.500 4.004 3.916 4.067 . 0 0 "[ . 1 . 2]" 1
239 1 12 ILE MD 1 71 PHE H . . 7.000 5.151 4.771 5.791 . 0 0 "[ . 1 . 2]" 1
240 1 12 ILE MD 1 71 PHE HA . . 7.100 4.035 3.236 5.344 . 0 0 "[ . 1 . 2]" 1
241 1 12 ILE MD 1 71 PHE QB . . 8.500 2.468 1.957 3.424 . 0 0 "[ . 1 . 2]" 1
242 1 12 ILE MD 1 72 GLU HA . . 6.500 3.890 2.525 4.912 . 0 0 "[ . 1 . 2]" 1
243 1 12 ILE MD 1 72 GLU QB . . 5.880 2.828 2.110 4.311 . 0 0 "[ . 1 . 2]" 1
244 1 12 ILE MD 1 72 GLU QG . . 6.400 3.695 2.477 4.501 . 0 0 "[ . 1 . 2]" 1
245 1 12 ILE QG 1 13 ALA H . . 7.500 2.293 2.221 2.352 . 0 0 "[ . 1 . 2]" 1
246 1 12 ILE QG 1 13 ALA HA . . 5.300 3.526 3.401 3.639 . 0 0 "[ . 1 . 2]" 1
247 1 12 ILE QG 1 14 ALA H . . 7.500 4.687 4.544 4.775 . 0 0 "[ . 1 . 2]" 1
248 1 12 ILE MG 1 13 ALA H . . 6.400 4.100 4.047 4.167 . 0 0 "[ . 1 . 2]" 1
249 1 12 ILE MG 1 34 SER HA . . 7.500 3.824 3.279 4.871 . 0 0 "[ . 1 . 2]" 1
250 1 12 ILE MG 1 71 PHE QB . . 8.100 2.865 2.141 3.385 . 0 0 "[ . 1 . 2]" 1
251 1 12 ILE MG 1 72 GLU QG . . 8.300 5.449 4.640 6.163 . 0 0 "[ . 1 . 2]" 1
252 1 13 ALA H 1 13 ALA MB . . 3.400 2.265 2.227 2.281 . 0 0 "[ . 1 . 2]" 1
253 1 13 ALA H 1 14 ALA H . . 3.900 2.840 2.648 2.933 . 0 0 "[ . 1 . 2]" 1
254 1 13 ALA H 1 16 LEU H . . 6.200 4.748 4.695 4.815 . 0 0 "[ . 1 . 2]" 1
255 1 13 ALA H 1 17 GLN H . . 6.500 6.464 6.293 6.521 0.021 15 0 "[ . 1 . 2]" 1
256 1 13 ALA H 1 34 SER HA . . 6.500 6.219 5.869 6.524 0.024 18 0 "[ . 1 . 2]" 1
257 1 13 ALA HA 1 17 GLN H . . 6.000 4.674 4.344 4.779 . 0 0 "[ . 1 . 2]" 1
258 1 13 ALA MB 1 14 ALA H . . 3.600 2.567 2.491 2.658 . 0 0 "[ . 1 . 2]" 1
259 1 13 ALA MB 1 16 LEU H . . 7.500 4.820 4.673 4.943 . 0 0 "[ . 1 . 2]" 1
260 1 13 ALA MB 1 17 GLN H . . 6.400 5.199 4.903 5.311 . 0 0 "[ . 1 . 2]" 1
261 1 14 ALA H 1 15 ALA H . . 3.600 2.864 2.781 3.008 . 0 0 "[ . 1 . 2]" 1
262 1 14 ALA H 1 16 LEU H . . 5.600 4.259 4.106 4.359 . 0 0 "[ . 1 . 2]" 1
263 1 14 ALA H 1 17 GLN H . . 5.500 5.050 4.927 5.125 . 0 0 "[ . 1 . 2]" 1
264 1 14 ALA H 1 33 THR MG . . 6.500 5.167 4.976 5.388 . 0 0 "[ . 1 . 2]" 1
265 1 14 ALA HA 1 16 LEU H . . 6.300 4.504 4.303 4.637 . 0 0 "[ . 1 . 2]" 1
266 1 14 ALA HA 1 17 GLN H . . 6.200 3.577 3.441 3.677 . 0 0 "[ . 1 . 2]" 1
267 1 14 ALA HA 1 17 GLN QE . . 7.370 5.281 3.562 6.573 . 0 0 "[ . 1 . 2]" 1
268 1 14 ALA HA 1 18 GLU H . . 5.800 4.040 3.818 4.237 . 0 0 "[ . 1 . 2]" 1
269 1 14 ALA HA 1 18 GLU QG . . 6.600 5.117 4.451 5.918 . 0 0 "[ . 1 . 2]" 1
270 1 14 ALA HA 1 33 THR MG . . 7.200 5.224 5.014 5.481 . 0 0 "[ . 1 . 2]" 1
271 1 14 ALA MB 1 15 ALA H . . 3.400 2.315 2.251 2.375 . 0 0 "[ . 1 . 2]" 1
272 1 14 ALA MB 1 15 ALA HA . . 4.900 3.785 3.709 3.848 . 0 0 "[ . 1 . 2]" 1
273 1 14 ALA MB 1 16 LEU H . . 5.400 4.476 4.390 4.513 . 0 0 "[ . 1 . 2]" 1
274 1 14 ALA MB 1 17 GLN H . . 5.600 4.547 4.417 4.674 . 0 0 "[ . 1 . 2]" 1
275 1 14 ALA MB 1 18 GLU HB2 . . 6.300 4.996 3.781 5.279 . 0 0 "[ . 1 . 2]" 1
276 1 14 ALA MB 1 18 GLU QB . . 5.760 3.752 3.491 3.876 . 0 0 "[ . 1 . 2]" 1
277 1 14 ALA MB 1 18 GLU HB3 . . 6.300 3.946 3.777 4.494 . 0 0 "[ . 1 . 2]" 1
278 1 14 ALA MB 1 33 THR HA . . 6.400 4.391 3.947 4.912 . 0 0 "[ . 1 . 2]" 1
279 1 14 ALA MB 1 33 THR MG . . 5.800 3.227 3.010 3.490 . 0 0 "[ . 1 . 2]" 1
280 1 14 ALA MB 1 34 SER HA . . 7.400 4.612 3.577 5.184 . 0 0 "[ . 1 . 2]" 1
281 1 15 ALA H 1 16 LEU H . . 3.900 2.841 2.807 2.883 . 0 0 "[ . 1 . 2]" 1
282 1 15 ALA H 1 16 LEU HA . . 5.400 5.437 5.421 5.467 0.067 12 0 "[ . 1 . 2]" 1
283 1 15 ALA H 1 17 GLN H . . 5.200 4.267 4.117 4.440 . 0 0 "[ . 1 . 2]" 1
284 1 15 ALA H 1 18 GLU H . . 6.200 4.731 4.573 4.842 . 0 0 "[ . 1 . 2]" 1
285 1 15 ALA H 1 18 GLU QB . . 7.380 4.989 4.295 5.287 . 0 0 "[ . 1 . 2]" 1
286 1 15 ALA H 1 18 GLU QG . . 7.500 4.395 3.851 5.684 . 0 0 "[ . 1 . 2]" 1
287 1 15 ALA H 1 33 THR HB . . 6.000 5.965 5.813 6.058 0.058 3 0 "[ . 1 . 2]" 1
288 1 15 ALA H 1 33 THR MG . . 4.400 2.908 2.727 3.047 . 0 0 "[ . 1 . 2]" 1
289 1 15 ALA H 1 34 SER HA . . 5.000 4.378 3.907 4.695 . 0 0 "[ . 1 . 2]" 1
290 1 15 ALA HA 1 16 LEU QB . . 6.500 5.160 5.075 5.312 . 0 0 "[ . 1 . 2]" 1
291 1 15 ALA HA 1 17 GLN H . . 5.800 4.184 4.037 4.374 . 0 0 "[ . 1 . 2]" 1
292 1 15 ALA HA 1 18 GLU H . . 6.000 3.521 3.137 3.754 . 0 0 "[ . 1 . 2]" 1
293 1 15 ALA HA 1 18 GLU HB2 . . 5.000 4.653 3.547 5.009 0.009 19 0 "[ . 1 . 2]" 1
294 1 15 ALA HA 1 18 GLU HB3 . . 5.000 3.639 2.375 4.295 . 0 0 "[ . 1 . 2]" 1
295 1 15 ALA HA 1 18 GLU QG . . 6.900 2.319 2.004 3.742 . 0 0 "[ . 1 . 2]" 1
296 1 15 ALA HA 1 19 CYS H . . 6.500 3.598 3.320 3.862 . 0 0 "[ . 1 . 2]" 1
297 1 15 ALA HA 1 30 PHE HA . . 5.300 4.807 4.502 5.143 . 0 0 "[ . 1 . 2]" 1
298 1 15 ALA HA 1 33 THR H . . 6.500 6.228 6.063 6.403 . 0 0 "[ . 1 . 2]" 1
299 1 15 ALA HA 1 33 THR HB . . 6.400 4.574 4.390 4.714 . 0 0 "[ . 1 . 2]" 1
300 1 15 ALA HA 1 33 THR MG . . 5.100 2.086 1.976 2.233 . 0 0 "[ . 1 . 2]" 1
301 1 15 ALA HA 1 34 SER H . . 6.500 5.790 5.336 6.032 . 0 0 "[ . 1 . 2]" 1
302 1 15 ALA HA 1 34 SER HA . . 5.600 5.492 5.220 5.632 0.032 12 0 "[ . 1 . 2]" 1
303 1 15 ALA MB 1 16 LEU QB . . 8.500 3.780 3.600 4.123 . 0 0 "[ . 1 . 2]" 1
304 1 15 ALA MB 1 17 GLN H . . 6.700 4.435 4.351 4.602 . 0 0 "[ . 1 . 2]" 1
305 1 15 ALA MB 1 19 CYS H . . 7.500 4.363 4.189 4.520 . 0 0 "[ . 1 . 2]" 1
306 1 15 ALA MB 1 33 THR H . . 6.400 5.298 5.201 5.368 . 0 0 "[ . 1 . 2]" 1
307 1 15 ALA MB 1 33 THR HA . . 7.400 5.051 4.727 5.530 . 0 0 "[ . 1 . 2]" 1
308 1 15 ALA MB 1 34 SER HA . . 5.000 3.170 2.889 3.463 . 0 0 "[ . 1 . 2]" 1
309 1 15 ALA MB 1 34 SER QB . . 7.300 3.346 2.940 4.146 . 0 0 "[ . 1 . 2]" 1
310 1 15 ALA MB 1 35 GLY H . . 7.500 5.627 5.415 5.875 . 0 0 "[ . 1 . 2]" 1
311 1 16 LEU H 1 17 GLN H . . 3.900 2.806 2.696 3.010 . 0 0 "[ . 1 . 2]" 1
312 1 16 LEU H 1 18 GLU H . . 6.100 4.295 4.116 4.487 . 0 0 "[ . 1 . 2]" 1
313 1 16 LEU H 1 18 GLU QB . . 6.380 5.562 4.661 5.733 . 0 0 "[ . 1 . 2]" 1
314 1 16 LEU H 1 18 GLU QG . . 7.500 4.939 4.355 6.579 . 0 0 "[ . 1 . 2]" 1
315 1 16 LEU H 1 19 CYS H . . 6.500 4.850 4.762 4.932 . 0 0 "[ . 1 . 2]" 1
316 1 16 LEU H 1 34 SER HA . . 6.500 6.474 6.314 6.563 0.063 18 0 "[ . 1 . 2]" 1
317 1 16 LEU HA 1 18 GLU H . . 6.300 4.888 4.655 5.100 . 0 0 "[ . 1 . 2]" 1
318 1 16 LEU HA 1 19 CYS H . . 5.100 4.231 3.993 4.478 . 0 0 "[ . 1 . 2]" 1
319 1 16 LEU HA 1 19 CYS QB . . 7.380 4.222 3.322 4.996 . 0 0 "[ . 1 . 2]" 1
320 1 16 LEU HA 1 20 ARG H . . 6.100 5.735 5.308 5.998 . 0 0 "[ . 1 . 2]" 1
321 1 16 LEU QB 1 17 GLN H . . 5.400 2.798 2.660 3.073 . 0 0 "[ . 1 . 2]" 1
322 1 16 LEU QB 1 19 CYS H . . 7.500 5.423 5.295 5.529 . 0 0 "[ . 1 . 2]" 1
323 1 17 GLN H 1 17 GLN QG . . 5.000 3.583 2.562 4.101 . 0 0 "[ . 1 . 2]" 1
324 1 17 GLN H 1 18 GLU H . . 4.000 2.336 2.203 2.492 . 0 0 "[ . 1 . 2]" 1
325 1 17 GLN H 1 18 GLU HA . . 5.600 4.988 4.866 5.108 . 0 0 "[ . 1 . 2]" 1
326 1 17 GLN H 1 18 GLU QB . . 5.480 4.252 3.849 4.544 . 0 0 "[ . 1 . 2]" 1
327 1 17 GLN H 1 19 CYS H . . 5.500 3.946 3.732 4.121 . 0 0 "[ . 1 . 2]" 1
328 1 17 GLN H 1 20 ARG H . . 5.800 5.596 5.302 5.831 0.031 15 0 "[ . 1 . 2]" 1
329 1 17 GLN H 1 20 ARG QD . . 7.500 5.432 4.528 6.151 . 0 0 "[ . 1 . 2]" 1
330 1 17 GLN H 1 33 THR MG . . 7.000 5.475 5.294 5.671 . 0 0 "[ . 1 . 2]" 1
331 1 17 GLN HA 1 17 GLN QG . . 3.200 2.209 2.097 2.308 . 0 0 "[ . 1 . 2]" 1
332 1 17 GLN HA 1 19 CYS H . . 5.600 4.469 4.149 4.707 . 0 0 "[ . 1 . 2]" 1
333 1 17 GLN HA 1 20 ARG H . . 5.000 4.094 3.621 4.607 . 0 0 "[ . 1 . 2]" 1
334 1 17 GLN HA 1 20 ARG HB2 . . 5.000 2.971 2.215 4.309 . 0 0 "[ . 1 . 2]" 1
335 1 17 GLN HA 1 20 ARG QB . . 4.350 2.686 2.203 3.707 . 0 0 "[ . 1 . 2]" 1
336 1 17 GLN HA 1 20 ARG HB3 . . 5.000 3.911 2.538 4.877 . 0 0 "[ . 1 . 2]" 1
337 1 17 GLN HA 1 20 ARG QD . . 6.800 3.000 2.257 3.912 . 0 0 "[ . 1 . 2]" 1
338 1 17 GLN HA 1 21 ASP H . . 6.500 6.007 5.520 6.499 . 0 0 "[ . 1 . 2]" 1
339 1 17 GLN QB 1 20 ARG H . . 7.500 5.358 5.044 5.819 . 0 0 "[ . 1 . 2]" 1
340 1 17 GLN QB 1 20 ARG QD . . 7.700 4.371 3.272 5.619 . 0 0 "[ . 1 . 2]" 1
341 1 17 GLN QG 1 18 GLU H . . 7.500 4.244 3.566 4.588 . 0 0 "[ . 1 . 2]" 1
342 1 17 GLN QG 1 19 CYS H . . 7.200 5.711 5.208 6.129 . 0 0 "[ . 1 . 2]" 1
343 1 17 GLN QG 1 20 ARG QD . . 8.500 3.294 2.254 4.585 . 0 0 "[ . 1 . 2]" 1
344 1 18 GLU H 1 18 GLU HB2 . . 3.700 3.399 2.394 3.653 . 0 0 "[ . 1 . 2]" 1
345 1 18 GLU H 1 18 GLU QB . . 3.440 2.257 2.140 2.394 . 0 0 "[ . 1 . 2]" 1
346 1 18 GLU H 1 18 GLU HB3 . . 3.700 2.317 2.226 2.468 . 0 0 "[ . 1 . 2]" 1
347 1 18 GLU H 1 19 CYS H . . 3.600 2.714 2.551 2.977 . 0 0 "[ . 1 . 2]" 1
348 1 18 GLU H 1 19 CYS HA . . 6.500 5.385 5.283 5.548 . 0 0 "[ . 1 . 2]" 1
349 1 18 GLU H 1 19 CYS QB . . 6.080 4.831 4.448 5.157 . 0 0 "[ . 1 . 2]" 1
350 1 18 GLU H 1 20 ARG H . . 5.700 4.662 4.397 4.965 . 0 0 "[ . 1 . 2]" 1
351 1 18 GLU H 1 20 ARG QD . . 7.500 5.822 4.633 6.701 . 0 0 "[ . 1 . 2]" 1
352 1 18 GLU HA 1 19 CYS HA . . 5.200 4.670 4.598 4.747 . 0 0 "[ . 1 . 2]" 1
353 1 18 GLU HA 1 20 ARG H . . 5.500 4.061 3.712 4.385 . 0 0 "[ . 1 . 2]" 1
354 1 18 GLU QB 1 19 CYS H . . 4.530 3.412 2.491 3.732 . 0 0 "[ . 1 . 2]" 1
355 1 18 GLU QB 1 19 CYS HA . . 6.580 4.930 4.550 5.105 . 0 0 "[ . 1 . 2]" 1
356 1 18 GLU QB 1 19 CYS QB . . 7.550 4.851 4.040 5.233 . 0 0 "[ . 1 . 2]" 1
357 1 18 GLU QB 1 20 ARG H . . 6.290 5.146 4.881 5.480 . 0 0 "[ . 1 . 2]" 1
358 1 18 GLU QB 1 29 LYS QE . . 8.380 4.372 3.384 5.369 . 0 0 "[ . 1 . 2]" 1
359 1 18 GLU HB2 1 19 CYS H . . 5.000 4.120 3.898 4.371 . 0 0 "[ . 1 . 2]" 1
360 1 18 GLU HB2 1 20 ARG H . . 6.500 5.775 5.315 6.068 . 0 0 "[ . 1 . 2]" 1
361 1 18 GLU HB3 1 19 CYS H . . 5.000 3.689 2.520 4.049 . 0 0 "[ . 1 . 2]" 1
362 1 18 GLU HB3 1 20 ARG H . . 6.500 5.807 5.244 6.244 . 0 0 "[ . 1 . 2]" 1
363 1 18 GLU QG 1 19 CYS H . . 7.500 2.442 1.967 3.576 . 0 0 "[ . 1 . 2]" 1
364 1 18 GLU QG 1 20 ARG H . . 7.300 5.046 4.675 5.388 . 0 0 "[ . 1 . 2]" 1
365 1 19 CYS H 1 19 CYS QB . . 3.870 2.448 2.180 2.557 . 0 0 "[ . 1 . 2]" 1
366 1 19 CYS H 1 20 ARG H . . 3.600 3.220 2.904 3.475 . 0 0 "[ . 1 . 2]" 1
367 1 19 CYS H 1 20 ARG QB . . 5.780 4.482 4.070 4.894 . 0 0 "[ . 1 . 2]" 1
368 1 19 CYS H 1 20 ARG QG . . 7.500 5.605 4.590 6.283 . 0 0 "[ . 1 . 2]" 1
369 1 19 CYS H 1 21 ASP H . . 6.100 5.365 4.890 5.792 . 0 0 "[ . 1 . 2]" 1
370 1 19 CYS H 1 24 THR HB . . 6.500 5.742 5.368 5.975 . 0 0 "[ . 1 . 2]" 1
371 1 19 CYS H 1 24 THR MG . . 7.300 5.294 4.695 5.797 . 0 0 "[ . 1 . 2]" 1
372 1 19 CYS HA 1 20 ARG QB . . 6.780 4.684 4.394 5.191 . 0 0 "[ . 1 . 2]" 1
373 1 19 CYS HA 1 20 ARG QG . . 7.500 5.845 5.317 6.168 . 0 0 "[ . 1 . 2]" 1
374 1 19 CYS HA 1 21 ASP H . . 5.700 3.625 2.997 4.325 . 0 0 "[ . 1 . 2]" 1
375 1 19 CYS HA 1 24 THR H . . 6.200 5.069 4.536 5.494 . 0 0 "[ . 1 . 2]" 1
376 1 19 CYS HA 1 24 THR HB . . 5.400 2.828 2.465 3.141 . 0 0 "[ . 1 . 2]" 1
377 1 19 CYS HA 1 24 THR MG . . 6.900 3.029 2.537 3.677 . 0 0 "[ . 1 . 2]" 1
378 1 19 CYS HA 1 25 PHE HA . . 4.500 4.446 3.768 4.562 0.062 10 0 "[ . 1 . 2]" 1
379 1 19 CYS QB 1 20 ARG H . . 6.480 3.979 3.900 4.016 . 0 0 "[ . 1 . 2]" 1
380 1 19 CYS QB 1 24 THR H . . 7.280 4.778 3.926 5.999 . 0 0 "[ . 1 . 2]" 1
381 1 19 CYS QB 1 24 THR HB . . 7.380 3.626 2.931 4.845 . 0 0 "[ . 1 . 2]" 1
382 1 19 CYS QB 1 24 THR MG . . 8.380 4.104 3.397 5.144 . 0 0 "[ . 1 . 2]" 1
383 1 19 CYS QB 1 25 PHE H . . 7.080 4.205 3.396 5.744 . 0 0 "[ . 1 . 2]" 1
384 1 19 CYS QB 1 25 PHE HA . . 5.030 3.073 2.465 4.360 . 0 0 "[ . 1 . 2]" 1
385 1 19 CYS QB 1 25 PHE QB . . 6.870 3.262 2.529 4.520 . 0 0 "[ . 1 . 2]" 1
386 1 19 CYS QB 1 76 ARG QD . . 8.250 5.025 3.223 6.079 . 0 0 "[ . 1 . 2]" 1
387 1 19 CYS HB2 1 25 PHE HA . . 5.400 4.037 3.572 5.218 . 0 0 "[ . 1 . 2]" 1
388 1 19 CYS HB2 1 25 PHE HB2 . . 8.250 4.594 3.703 5.609 . 0 0 "[ . 1 . 2]" 1
389 1 19 CYS HB2 1 25 PHE HB3 . . 8.250 5.865 4.914 6.618 . 0 0 "[ . 1 . 2]" 1
390 1 19 CYS HB3 1 25 PHE HA . . 5.400 3.296 2.502 5.045 . 0 0 "[ . 1 . 2]" 1
391 1 19 CYS HB3 1 25 PHE HB2 . . 8.250 3.482 2.576 5.218 . 0 0 "[ . 1 . 2]" 1
392 1 19 CYS HB3 1 25 PHE HB3 . . 8.250 4.935 4.119 6.778 . 0 0 "[ . 1 . 2]" 1
393 1 20 ARG H 1 20 ARG QB . . 3.860 2.292 2.092 2.780 . 0 0 "[ . 1 . 2]" 1
394 1 20 ARG H 1 20 ARG QD . . 5.500 4.056 1.928 4.600 . 0 0 "[ . 1 . 2]" 1
395 1 20 ARG H 1 20 ARG QG . . 4.800 3.726 3.175 4.090 . 0 0 "[ . 1 . 2]" 1
396 1 20 ARG H 1 21 ASP H . . 5.000 2.415 2.290 2.634 . 0 0 "[ . 1 . 2]" 1
397 1 20 ARG H 1 21 ASP HB2 . . 5.700 4.303 4.021 5.647 . 0 0 "[ . 1 . 2]" 1
398 1 20 ARG H 1 21 ASP QB . . 5.530 4.168 3.940 4.963 . 0 0 "[ . 1 . 2]" 1
399 1 20 ARG H 1 21 ASP HB3 . . 5.700 5.716 5.502 5.776 0.076 19 0 "[ . 1 . 2]" 1
400 1 20 ARG H 1 24 THR MG . . 6.300 4.471 3.864 5.206 . 0 0 "[ . 1 . 2]" 1
401 1 20 ARG HA 1 20 ARG QD . . 4.400 3.529 2.296 3.980 . 0 0 "[ . 1 . 2]" 1
402 1 20 ARG HA 1 21 ASP HA . . 5.300 4.759 4.656 4.863 . 0 0 "[ . 1 . 2]" 1
403 1 20 ARG HA 1 76 ARG HD2 . . 6.500 5.941 4.745 6.553 0.053 11 0 "[ . 1 . 2]" 1
404 1 20 ARG HA 1 76 ARG HD3 . . 6.500 5.034 3.985 6.050 . 0 0 "[ . 1 . 2]" 1
405 1 20 ARG QB 1 21 ASP H . . 4.370 2.816 2.197 3.554 . 0 0 "[ . 1 . 2]" 1
406 1 20 ARG QB 1 21 ASP HA . . 5.650 4.020 3.397 4.532 . 0 0 "[ . 1 . 2]" 1
407 1 20 ARG QB 1 76 ARG QD . . 8.250 6.190 5.499 6.591 . 0 0 "[ . 1 . 2]" 1
408 1 20 ARG HB2 1 21 ASP H . . 4.600 3.636 2.587 4.348 . 0 0 "[ . 1 . 2]" 1
409 1 20 ARG HB2 1 21 ASP HA . . 6.500 5.245 4.538 5.822 . 0 0 "[ . 1 . 2]" 1
410 1 20 ARG HB3 1 21 ASP H . . 4.600 3.015 2.217 3.976 . 0 0 "[ . 1 . 2]" 1
411 1 20 ARG HB3 1 21 ASP HA . . 6.500 4.297 3.479 5.661 . 0 0 "[ . 1 . 2]" 1
412 1 20 ARG QD 1 21 ASP H . . 7.500 4.504 2.501 5.953 . 0 0 "[ . 1 . 2]" 1
413 1 20 ARG QG 1 21 ASP H . . 6.400 3.811 2.301 4.622 . 0 0 "[ . 1 . 2]" 1
414 1 21 ASP H 1 21 ASP HB2 . . 3.800 2.303 2.084 3.439 . 0 0 "[ . 1 . 2]" 1
415 1 21 ASP H 1 21 ASP HB3 . . 3.800 3.451 3.143 3.535 . 0 0 "[ . 1 . 2]" 1
416 1 21 ASP H 1 22 PRO HD2 . . 5.800 4.875 4.763 4.971 . 0 0 "[ . 1 . 2]" 1
417 1 21 ASP H 1 22 PRO QD . . 5.630 4.432 4.357 4.488 . 0 0 "[ . 1 . 2]" 1
418 1 21 ASP H 1 22 PRO HD3 . . 5.800 5.095 5.003 5.199 . 0 0 "[ . 1 . 2]" 1
419 1 21 ASP H 1 24 THR H . . 5.600 5.431 4.608 5.654 0.054 20 0 "[ . 1 . 2]" 1
420 1 21 ASP H 1 24 THR HB . . 6.500 3.817 3.104 4.409 . 0 0 "[ . 1 . 2]" 1
421 1 21 ASP H 1 24 THR MG . . 5.000 3.990 3.604 4.499 . 0 0 "[ . 1 . 2]" 1
422 1 21 ASP HA 1 24 THR HB . . 5.500 5.320 4.883 5.549 0.049 20 0 "[ . 1 . 2]" 1
423 1 21 ASP HA 1 24 THR MG . . 6.600 5.526 5.281 5.789 . 0 0 "[ . 1 . 2]" 1
424 1 21 ASP QB 1 22 PRO QD . . 5.270 2.457 2.221 2.745 . 0 0 "[ . 1 . 2]" 1
425 1 21 ASP QB 1 22 PRO QG . . 7.150 3.923 3.686 4.201 . 0 0 "[ . 1 . 2]" 1
426 1 21 ASP QB 1 24 THR H . . 7.280 4.455 3.993 5.264 . 0 0 "[ . 1 . 2]" 1
427 1 21 ASP QB 1 24 THR HA . . 6.180 5.026 4.815 5.544 . 0 0 "[ . 1 . 2]" 1
428 1 21 ASP QB 1 24 THR MG . . 5.100 3.045 2.659 4.183 . 0 0 "[ . 1 . 2]" 1
429 1 21 ASP HB2 1 22 PRO HD2 . . 6.650 3.938 2.913 4.255 . 0 0 "[ . 1 . 2]" 1
430 1 21 ASP HB2 1 22 PRO HD3 . . 6.650 4.934 4.159 5.121 . 0 0 "[ . 1 . 2]" 1
431 1 21 ASP HB2 1 24 THR HB . . 6.500 3.533 2.968 4.543 . 0 0 "[ . 1 . 2]" 1
432 1 21 ASP HB2 1 24 THR MG . . 5.700 3.129 2.724 4.389 . 0 0 "[ . 1 . 2]" 1
433 1 21 ASP HB3 1 22 PRO HD2 . . 6.650 2.541 2.257 3.205 . 0 0 "[ . 1 . 2]" 1
434 1 21 ASP HB3 1 22 PRO HD3 . . 6.650 3.904 3.685 4.217 . 0 0 "[ . 1 . 2]" 1
435 1 21 ASP HB3 1 24 THR HB . . 6.500 4.558 3.832 5.774 . 0 0 "[ . 1 . 2]" 1
436 1 21 ASP HB3 1 24 THR MG . . 5.700 4.198 3.712 5.270 . 0 0 "[ . 1 . 2]" 1
437 1 22 PRO HA 1 23 ASP HA . . 4.400 4.306 4.210 4.475 0.075 19 0 "[ . 1 . 2]" 1
438 1 22 PRO HA 1 24 THR H . . 5.400 3.657 3.231 4.133 . 0 0 "[ . 1 . 2]" 1
439 1 22 PRO HA 1 24 THR MG . . 7.500 6.183 5.886 6.487 . 0 0 "[ . 1 . 2]" 1
440 1 22 PRO HA 1 76 ARG QD . . 7.080 4.364 2.960 5.538 . 0 0 "[ . 1 . 2]" 1
441 1 22 PRO HA 1 79 THR MG . . 5.700 4.199 3.050 5.033 . 0 0 "[ . 1 . 2]" 1
442 1 22 PRO HA 1 82 GLU QG . . 7.500 4.094 3.256 6.329 . 0 0 "[ . 1 . 2]" 1
443 1 22 PRO QB 1 23 ASP HA . . 7.380 4.551 3.963 4.846 . 0 0 "[ . 1 . 2]" 1
444 1 22 PRO QB 1 79 THR MG . . 5.280 3.859 2.102 4.533 . 0 0 "[ . 1 . 2]" 1
445 1 22 PRO HB2 1 24 THR H . . 6.500 5.236 4.935 5.845 . 0 0 "[ . 1 . 2]" 1
446 1 22 PRO HB2 1 79 THR MG . . 5.500 4.257 2.167 4.926 . 0 0 "[ . 1 . 2]" 1
447 1 22 PRO HB3 1 24 THR H . . 6.500 5.720 5.375 6.278 . 0 0 "[ . 1 . 2]" 1
448 1 22 PRO HB3 1 79 THR MG . . 5.500 4.435 2.829 5.297 . 0 0 "[ . 1 . 2]" 1
449 1 22 PRO QD 1 24 THR H . . 7.380 5.253 4.870 5.819 . 0 0 "[ . 1 . 2]" 1
450 1 22 PRO QG 1 23 ASP H . . 5.520 4.412 2.075 4.730 . 0 0 "[ . 1 . 2]" 1
451 1 22 PRO QG 1 24 THR H . . 7.380 5.371 4.929 6.010 . 0 0 "[ . 1 . 2]" 1
452 1 22 PRO QG 1 79 THR MG . . 7.580 5.574 3.727 6.223 . 0 0 "[ . 1 . 2]" 1
453 1 23 ASP H 1 24 THR H . . 4.400 2.814 2.334 3.510 . 0 0 "[ . 1 . 2]" 1
454 1 23 ASP H 1 24 THR MG . . 7.500 6.009 5.626 6.302 . 0 0 "[ . 1 . 2]" 1
455 1 23 ASP H 1 25 PHE H . . 6.100 4.203 3.589 5.387 . 0 0 "[ . 1 . 2]" 1
456 1 23 ASP H 1 79 THR MG . . 5.000 3.498 2.892 4.128 . 0 0 "[ . 1 . 2]" 1
457 1 23 ASP HA 1 24 THR MG . . 7.500 5.966 5.736 6.172 . 0 0 "[ . 1 . 2]" 1
458 1 23 ASP HA 1 25 PHE QB . . 7.380 4.283 3.843 4.720 . 0 0 "[ . 1 . 2]" 1
459 1 23 ASP HA 1 79 THR MG . . 5.800 4.048 3.649 4.965 . 0 0 "[ . 1 . 2]" 1
460 1 23 ASP HA 1 82 GLU QG . . 6.600 2.816 2.080 4.491 . 0 0 "[ . 1 . 2]" 1
461 1 23 ASP QB 1 79 THR MG . . 8.500 4.610 3.778 5.289 . 0 0 "[ . 1 . 2]" 1
462 1 23 ASP QB 1 81 SER H . . 7.500 6.347 4.725 6.717 . 0 0 "[ . 1 . 2]" 1
463 1 24 THR H 1 24 THR HB . . 4.100 2.617 2.279 2.954 . 0 0 "[ . 1 . 2]" 1
464 1 24 THR H 1 24 THR MG . . 4.800 3.837 3.625 4.005 . 0 0 "[ . 1 . 2]" 1
465 1 24 THR H 1 25 PHE H . . 3.700 2.456 1.961 3.405 . 0 0 "[ . 1 . 2]" 1
466 1 24 THR H 1 25 PHE HA . . 5.000 4.755 4.439 5.091 0.091 11 0 "[ . 1 . 2]" 1
467 1 24 THR H 1 25 PHE QB . . 5.380 3.818 3.470 4.307 . 0 0 "[ . 1 . 2]" 1
468 1 24 THR H 1 26 GLU H . . 6.500 6.287 5.692 6.543 0.043 7 0 "[ . 1 . 2]" 1
469 1 24 THR H 1 82 GLU QG . . 7.500 3.842 2.963 5.714 . 0 0 "[ . 1 . 2]" 1
470 1 24 THR HA 1 24 THR MG . . 3.500 2.355 2.261 2.600 . 0 0 "[ . 1 . 2]" 1
471 1 24 THR HA 1 25 PHE HB2 . . 6.100 5.419 5.100 5.668 . 0 0 "[ . 1 . 2]" 1
472 1 24 THR HA 1 25 PHE QB . . 5.600 4.970 4.761 5.036 . 0 0 "[ . 1 . 2]" 1
473 1 24 THR HA 1 25 PHE HB3 . . 6.100 5.822 5.300 6.175 0.075 10 0 "[ . 1 . 2]" 1
474 1 24 THR HA 1 26 GLU QG . . 7.380 5.163 4.387 5.929 . 0 0 "[ . 1 . 2]" 1
475 1 24 THR HB 1 25 PHE QB . . 6.980 4.477 3.724 5.083 . 0 0 "[ . 1 . 2]" 1
476 1 24 THR MG 1 25 PHE H . . 6.000 4.217 3.754 4.452 . 0 0 "[ . 1 . 2]" 1
477 1 25 PHE H 1 25 PHE HB2 . . 4.100 2.323 2.024 2.977 . 0 0 "[ . 1 . 2]" 1
478 1 25 PHE H 1 25 PHE HB3 . . 4.100 2.714 2.337 3.362 . 0 0 "[ . 1 . 2]" 1
479 1 25 PHE H 1 26 GLU H . . 5.400 4.314 3.903 4.601 . 0 0 "[ . 1 . 2]" 1
480 1 25 PHE H 1 82 GLU QG . . 7.500 3.297 2.351 4.032 . 0 0 "[ . 1 . 2]" 1
481 1 25 PHE HA 1 26 GLU QB . . 6.780 4.276 4.155 4.585 . 0 0 "[ . 1 . 2]" 1
482 1 25 PHE QB 1 26 GLU QB . . 8.250 5.411 5.078 5.609 . 0 0 "[ . 1 . 2]" 1
483 1 25 PHE QB 1 30 PHE QB . . 7.580 4.613 4.224 4.974 . 0 0 "[ . 1 . 2]" 1
484 1 25 PHE QB 1 79 THR MG . . 7.580 5.376 4.809 6.163 . 0 0 "[ . 1 . 2]" 1
485 1 25 PHE QB 1 82 GLU HA . . 6.680 2.727 2.135 4.067 . 0 0 "[ . 1 . 2]" 1
486 1 26 GLU H 1 26 GLU HG2 . . 4.800 4.295 3.795 4.763 . 0 0 "[ . 1 . 2]" 1
487 1 26 GLU H 1 26 GLU HG3 . . 4.800 3.805 3.196 4.601 . 0 0 "[ . 1 . 2]" 1
488 1 26 GLU H 1 27 PRO HA . . 5.500 5.302 4.822 5.551 0.051 11 0 "[ . 1 . 2]" 1
489 1 26 GLU H 1 27 PRO HD2 . . 6.400 4.911 4.847 4.974 . 0 0 "[ . 1 . 2]" 1
490 1 26 GLU H 1 27 PRO QD . . 5.860 4.404 4.261 4.470 . 0 0 "[ . 1 . 2]" 1
491 1 26 GLU H 1 27 PRO HD3 . . 6.400 4.979 4.720 5.065 . 0 0 "[ . 1 . 2]" 1
492 1 26 GLU H 1 29 LYS H . . 6.200 5.125 4.717 5.426 . 0 0 "[ . 1 . 2]" 1
493 1 26 GLU H 1 29 LYS HB2 . . 6.500 4.383 4.102 4.678 . 0 0 "[ . 1 . 2]" 1
494 1 26 GLU H 1 29 LYS QB . . 6.190 3.069 2.828 3.370 . 0 0 "[ . 1 . 2]" 1
495 1 26 GLU H 1 29 LYS HB3 . . 6.500 3.136 2.871 3.484 . 0 0 "[ . 1 . 2]" 1
496 1 26 GLU H 1 29 LYS QD . . 7.500 4.857 2.059 5.631 . 0 0 "[ . 1 . 2]" 1
497 1 26 GLU H 1 29 LYS QG . . 7.500 3.669 2.820 4.638 . 0 0 "[ . 1 . 2]" 1
498 1 26 GLU H 1 30 PHE H . . 6.000 3.943 3.317 4.524 . 0 0 "[ . 1 . 2]" 1
499 1 26 GLU H 1 30 PHE QB . . 7.500 3.846 3.165 4.567 . 0 0 "[ . 1 . 2]" 1
500 1 26 GLU HA 1 26 GLU QG . . 3.550 2.222 2.155 2.463 . 0 0 "[ . 1 . 2]" 1
501 1 26 GLU HA 1 28 GLN H . . 6.400 5.003 4.684 5.427 . 0 0 "[ . 1 . 2]" 1
502 1 26 GLU HA 1 29 LYS H . . 6.500 4.937 4.670 5.339 . 0 0 "[ . 1 . 2]" 1
503 1 26 GLU QB 1 27 PRO QD . . 6.200 2.568 2.188 2.979 . 0 0 "[ . 1 . 2]" 1
504 1 26 GLU QB 1 29 LYS H . . 6.050 2.538 2.244 2.965 . 0 0 "[ . 1 . 2]" 1
505 1 26 GLU QB 1 29 LYS HA . . 5.780 4.244 4.052 4.513 . 0 0 "[ . 1 . 2]" 1
506 1 26 GLU QB 1 29 LYS QB . . 8.250 1.966 1.894 2.106 . 0 0 "[ . 1 . 2]" 1
507 1 26 GLU QB 1 29 LYS QG . . 6.250 2.959 2.367 3.658 . 0 0 "[ . 1 . 2]" 1
508 1 26 GLU HB2 1 27 PRO HD2 . . 6.950 4.017 3.724 4.281 . 0 0 "[ . 1 . 2]" 1
509 1 26 GLU HB2 1 27 PRO HD3 . . 6.950 4.904 4.773 5.113 . 0 0 "[ . 1 . 2]" 1
510 1 26 GLU HB2 1 28 GLN H . . 6.500 5.429 4.532 5.846 . 0 0 "[ . 1 . 2]" 1
511 1 26 GLU HB2 1 29 LYS H . . 6.500 3.775 3.028 4.204 . 0 0 "[ . 1 . 2]" 1
512 1 26 GLU HB2 1 29 LYS QG . . 6.700 3.058 2.402 3.853 . 0 0 "[ . 1 . 2]" 1
513 1 26 GLU HB3 1 27 PRO HD2 . . 6.950 2.651 2.225 3.135 . 0 0 "[ . 1 . 2]" 1
514 1 26 GLU HB3 1 27 PRO HD3 . . 6.950 3.922 3.662 4.296 . 0 0 "[ . 1 . 2]" 1
515 1 26 GLU HB3 1 28 GLN H . . 6.500 3.789 3.435 4.175 . 0 0 "[ . 1 . 2]" 1
516 1 26 GLU HB3 1 29 LYS H . . 6.500 2.606 2.260 3.395 . 0 0 "[ . 1 . 2]" 1
517 1 26 GLU HB3 1 29 LYS QG . . 6.700 3.993 3.438 5.075 . 0 0 "[ . 1 . 2]" 1
518 1 26 GLU QG 1 27 PRO QD . . 5.980 2.452 2.177 3.465 . 0 0 "[ . 1 . 2]" 1
519 1 26 GLU QG 1 29 LYS H . . 7.180 4.600 4.098 5.098 . 0 0 "[ . 1 . 2]" 1
520 1 26 GLU QG 1 29 LYS QG . . 7.350 4.686 4.168 5.388 . 0 0 "[ . 1 . 2]" 1
521 1 26 GLU HG2 1 27 PRO HD2 . . 6.400 2.632 2.260 4.071 . 0 0 "[ . 1 . 2]" 1
522 1 26 GLU HG2 1 27 PRO HD3 . . 6.400 3.604 2.969 5.328 . 0 0 "[ . 1 . 2]" 1
523 1 26 GLU HG2 1 29 LYS QG . . 7.500 5.657 4.953 6.398 . 0 0 "[ . 1 . 2]" 1
524 1 26 GLU HG3 1 27 PRO HD2 . . 6.400 3.903 2.399 4.267 . 0 0 "[ . 1 . 2]" 1
525 1 26 GLU HG3 1 27 PRO HD3 . . 6.400 4.764 3.391 5.380 . 0 0 "[ . 1 . 2]" 1
526 1 26 GLU HG3 1 29 LYS QG . . 7.500 5.049 4.412 5.844 . 0 0 "[ . 1 . 2]" 1
527 1 27 PRO HA 1 29 LYS H . . 6.500 4.655 4.383 4.798 . 0 0 "[ . 1 . 2]" 1
528 1 27 PRO HA 1 30 PHE H . . 5.300 3.730 3.508 3.974 . 0 0 "[ . 1 . 2]" 1
529 1 27 PRO HA 1 31 PHE H . . 5.700 3.930 3.725 4.069 . 0 0 "[ . 1 . 2]" 1
530 1 27 PRO QB 1 28 GLN H . . 4.500 2.584 2.318 2.785 . 0 0 "[ . 1 . 2]" 1
531 1 27 PRO QB 1 90 ALA MB . . 5.880 4.321 4.175 4.390 . 0 0 "[ . 1 . 2]" 1
532 1 27 PRO QD 1 28 GLN H . . 5.480 3.043 2.789 3.422 . 0 0 "[ . 1 . 2]" 1
533 1 27 PRO QD 1 29 LYS H . . 6.980 3.970 3.720 4.220 . 0 0 "[ . 1 . 2]" 1
534 1 27 PRO HD2 1 28 GLN H . . 5.700 3.135 2.847 3.580 . 0 0 "[ . 1 . 2]" 1
535 1 27 PRO HD3 1 28 GLN H . . 5.700 4.130 3.991 4.349 . 0 0 "[ . 1 . 2]" 1
536 1 28 GLN H 1 28 GLN HG2 . . 4.100 3.702 3.436 4.201 0.101 15 0 "[ . 1 . 2]" 1
537 1 28 GLN H 1 28 GLN QG . . 3.900 2.503 2.157 3.495 . 0 0 "[ . 1 . 2]" 1
538 1 28 GLN H 1 28 GLN HG3 . . 4.100 2.567 2.175 3.740 . 0 0 "[ . 1 . 2]" 1
539 1 28 GLN H 1 29 LYS H . . 4.200 2.798 2.699 2.901 . 0 0 "[ . 1 . 2]" 1
540 1 28 GLN H 1 29 LYS QB . . 5.880 4.397 4.233 4.635 . 0 0 "[ . 1 . 2]" 1
541 1 28 GLN H 1 30 PHE H . . 5.400 4.534 4.341 4.749 . 0 0 "[ . 1 . 2]" 1
542 1 28 GLN H 1 31 PHE H . . 6.500 4.742 4.625 4.854 . 0 0 "[ . 1 . 2]" 1
543 1 28 GLN HA 1 28 GLN HG2 . . 3.300 2.437 2.241 2.627 . 0 0 "[ . 1 . 2]" 1
544 1 28 GLN HA 1 28 GLN QG . . 3.030 2.279 2.108 2.350 . 0 0 "[ . 1 . 2]" 1
545 1 28 GLN HA 1 28 GLN HG3 . . 3.300 2.759 2.443 2.973 . 0 0 "[ . 1 . 2]" 1
546 1 28 GLN HA 1 30 PHE H . . 6.200 4.784 4.633 4.985 . 0 0 "[ . 1 . 2]" 1
547 1 28 GLN HA 1 31 PHE H . . 5.600 3.550 3.305 3.780 . 0 0 "[ . 1 . 2]" 1
548 1 28 GLN HA 1 31 PHE QB . . 6.000 2.456 2.169 3.243 . 0 0 "[ . 1 . 2]" 1
549 1 28 GLN HA 1 32 GLN H . . 6.000 4.087 3.880 4.484 . 0 0 "[ . 1 . 2]" 1
550 1 28 GLN QB 1 31 PHE H . . 7.500 5.051 4.849 5.277 . 0 0 "[ . 1 . 2]" 1
551 1 28 GLN QB 1 32 GLN H . . 7.500 4.912 4.689 5.365 . 0 0 "[ . 1 . 2]" 1
552 1 28 GLN QG 1 29 LYS H . . 6.240 4.199 4.059 4.345 . 0 0 "[ . 1 . 2]" 1
553 1 28 GLN QG 1 29 LYS HA . . 7.380 5.737 4.785 6.016 . 0 0 "[ . 1 . 2]" 1
554 1 28 GLN HG2 1 29 LYS H . . 6.400 4.952 4.300 5.246 . 0 0 "[ . 1 . 2]" 1
555 1 28 GLN HG3 1 29 LYS H . . 6.400 4.595 4.334 5.131 . 0 0 "[ . 1 . 2]" 1
556 1 29 LYS H 1 29 LYS QE . . 7.000 5.301 4.497 5.967 . 0 0 "[ . 1 . 2]" 1
557 1 29 LYS H 1 30 PHE H . . 3.800 2.999 2.851 3.140 . 0 0 "[ . 1 . 2]" 1
558 1 29 LYS H 1 31 PHE H . . 5.300 4.276 4.089 4.412 . 0 0 "[ . 1 . 2]" 1
559 1 29 LYS H 1 32 GLN H . . 6.200 4.923 4.774 5.264 . 0 0 "[ . 1 . 2]" 1
560 1 29 LYS H 1 33 THR H . . 6.500 6.011 5.901 6.236 . 0 0 "[ . 1 . 2]" 1
561 1 29 LYS HA 1 31 PHE H . . 6.000 4.736 4.469 4.901 . 0 0 "[ . 1 . 2]" 1
562 1 29 LYS HA 1 32 GLN H . . 5.100 3.873 3.636 4.204 . 0 0 "[ . 1 . 2]" 1
563 1 29 LYS HA 1 32 GLN QB . . 5.600 3.416 2.945 3.797 . 0 0 "[ . 1 . 2]" 1
564 1 29 LYS HA 1 33 THR H . . 5.900 4.092 3.926 4.410 . 0 0 "[ . 1 . 2]" 1
565 1 29 LYS QB 1 30 PHE HA . . 6.480 4.065 3.907 4.235 . 0 0 "[ . 1 . 2]" 1
566 1 29 LYS QB 1 31 PHE H . . 5.960 4.586 4.364 4.796 . 0 0 "[ . 1 . 2]" 1
567 1 29 LYS QB 1 32 GLN H . . 7.380 5.190 5.047 5.567 . 0 0 "[ . 1 . 2]" 1
568 1 29 LYS HB2 1 30 PHE H . . 4.300 3.641 3.563 3.797 . 0 0 "[ . 1 . 2]" 1
569 1 29 LYS HB2 1 31 PHE H . . 6.500 5.818 5.548 6.063 . 0 0 "[ . 1 . 2]" 1
570 1 29 LYS HB2 1 33 THR H . . 6.500 6.186 6.015 6.454 . 0 0 "[ . 1 . 2]" 1
571 1 29 LYS HB3 1 30 PHE H . . 4.300 2.170 2.054 2.366 . 0 0 "[ . 1 . 2]" 1
572 1 29 LYS HB3 1 31 PHE H . . 6.500 4.801 4.542 5.044 . 0 0 "[ . 1 . 2]" 1
573 1 29 LYS HB3 1 33 THR H . . 6.500 5.648 5.487 6.059 . 0 0 "[ . 1 . 2]" 1
574 1 29 LYS QD 1 32 GLN H . . 7.500 5.999 5.297 6.701 . 0 0 "[ . 1 . 2]" 1
575 1 29 LYS QD 1 33 THR H . . 7.400 5.363 4.715 6.130 . 0 0 "[ . 1 . 2]" 1
576 1 29 LYS QE 1 30 PHE H . . 6.700 5.084 3.604 5.897 . 0 0 "[ . 1 . 2]" 1
577 1 29 LYS QG 1 30 PHE H . . 6.800 3.395 3.049 4.063 . 0 0 "[ . 1 . 2]" 1
578 1 29 LYS QG 1 31 PHE H . . 7.500 5.414 5.148 6.224 . 0 0 "[ . 1 . 2]" 1
579 1 29 LYS QG 1 32 GLN H . . 7.500 5.328 4.804 5.922 . 0 0 "[ . 1 . 2]" 1
580 1 29 LYS QG 1 33 THR H . . 7.500 4.372 3.868 5.339 . 0 0 "[ . 1 . 2]" 1
581 1 30 PHE H 1 31 PHE H . . 4.300 2.839 2.695 3.035 . 0 0 "[ . 1 . 2]" 1
582 1 30 PHE H 1 31 PHE QB . . 6.900 4.598 4.126 5.216 . 0 0 "[ . 1 . 2]" 1
583 1 30 PHE H 1 32 GLN H . . 4.900 4.474 4.249 4.828 . 0 0 "[ . 1 . 2]" 1
584 1 30 PHE H 1 33 THR H . . 5.700 4.745 4.609 4.924 . 0 0 "[ . 1 . 2]" 1
585 1 30 PHE HA 1 33 THR HA . . 5.400 5.250 5.023 5.413 0.013 8 0 "[ . 1 . 2]" 1
586 1 30 PHE HA 1 33 THR HB . . 6.000 2.927 2.470 3.472 . 0 0 "[ . 1 . 2]" 1
587 1 30 PHE HA 1 34 SER H . . 6.500 3.742 3.427 4.062 . 0 0 "[ . 1 . 2]" 1
588 1 31 PHE H 1 32 GLN H . . 4.100 2.944 2.791 3.298 . 0 0 "[ . 1 . 2]" 1
589 1 31 PHE H 1 33 THR H . . 6.100 4.282 4.016 4.492 . 0 0 "[ . 1 . 2]" 1
590 1 31 PHE H 1 34 SER H . . 6.000 4.733 4.489 4.990 . 0 0 "[ . 1 . 2]" 1
591 1 31 PHE H 1 35 GLY H . . 6.500 6.495 6.013 6.591 0.091 12 0 "[ . 1 . 2]" 1
592 1 31 PHE H 1 36 LEU QB . . 7.380 5.405 4.967 5.942 . 0 0 "[ . 1 . 2]" 1
593 1 31 PHE H 1 36 LEU QD . . 9.070 5.128 4.428 6.176 . 0 0 "[ . 1 . 2]" 1
594 1 31 PHE HA 1 34 SER H . . 5.500 3.898 3.612 4.271 . 0 0 "[ . 1 . 2]" 1
595 1 31 PHE HA 1 34 SER QB . . 6.100 3.319 2.855 4.300 . 0 0 "[ . 1 . 2]" 1
596 1 31 PHE HA 1 107 VAL QG . . 9.060 3.621 3.195 4.100 . 0 0 "[ . 1 . 2]" 1
597 1 31 PHE QB 1 33 THR H . . 7.500 4.752 4.442 5.030 . 0 0 "[ . 1 . 2]" 1
598 1 31 PHE QB 1 36 LEU H . . 7.500 5.313 4.540 5.838 . 0 0 "[ . 1 . 2]" 1
599 1 31 PHE QB 1 36 LEU HB2 . . 7.500 3.982 2.998 4.609 . 0 0 "[ . 1 . 2]" 1
600 1 31 PHE QB 1 36 LEU HB3 . . 7.500 4.730 3.693 5.802 . 0 0 "[ . 1 . 2]" 1
601 1 31 PHE QB 1 36 LEU QD . . 10.070 4.182 3.733 4.901 . 0 0 "[ . 1 . 2]" 1
602 1 31 PHE QB 1 37 SER H . . 6.600 4.365 3.141 5.568 . 0 0 "[ . 1 . 2]" 1
603 1 31 PHE QB 1 37 SER HA . . 7.500 5.044 3.604 6.419 . 0 0 "[ . 1 . 2]" 1
604 1 31 PHE QB 1 37 SER QB . . 8.500 3.740 2.187 5.123 . 0 0 "[ . 1 . 2]" 1
605 1 31 PHE QB 1 107 VAL HA . . 7.500 3.331 2.270 4.552 . 0 0 "[ . 1 . 2]" 1
606 1 31 PHE QB 1 107 VAL MG1 . . 8.500 3.792 2.492 5.145 . 0 0 "[ . 1 . 2]" 1
607 1 31 PHE QB 1 107 VAL MG2 . . 8.500 3.400 2.730 4.128 . 0 0 "[ . 1 . 2]" 1
608 1 32 GLN H 1 32 GLN HG2 . . 4.700 4.148 2.686 4.616 . 0 0 "[ . 1 . 2]" 1
609 1 32 GLN H 1 32 GLN HG3 . . 4.700 3.773 2.513 4.575 . 0 0 "[ . 1 . 2]" 1
610 1 32 GLN H 1 33 THR H . . 3.900 2.581 2.543 2.628 . 0 0 "[ . 1 . 2]" 1
611 1 32 GLN H 1 33 THR MG . . 6.600 4.874 4.492 5.312 . 0 0 "[ . 1 . 2]" 1
612 1 32 GLN H 1 35 GLY H . . 6.500 4.968 4.654 5.162 . 0 0 "[ . 1 . 2]" 1
613 1 32 GLN H 1 36 LEU QB . . 7.380 5.350 5.015 5.720 . 0 0 "[ . 1 . 2]" 1
614 1 32 GLN H 1 37 SER H . . 5.200 4.932 4.297 5.269 0.069 15 0 "[ . 1 . 2]" 1
615 1 32 GLN H 1 37 SER QB . . 7.200 4.195 3.555 4.721 . 0 0 "[ . 1 . 2]" 1
616 1 32 GLN HA 1 35 GLY H . . 5.700 3.517 3.242 3.757 . 0 0 "[ . 1 . 2]" 1
617 1 32 GLN HA 1 37 SER H . . 4.300 3.107 2.575 3.583 . 0 0 "[ . 1 . 2]" 1
618 1 32 GLN HA 1 37 SER QB . . 6.800 2.553 2.132 3.663 . 0 0 "[ . 1 . 2]" 1
619 1 32 GLN QB 1 34 SER H . . 7.500 4.666 4.433 4.893 . 0 0 "[ . 1 . 2]" 1
620 1 32 GLN QB 1 35 GLY H . . 7.500 4.800 4.553 4.986 . 0 0 "[ . 1 . 2]" 1
621 1 32 GLN QB 1 37 SER H . . 7.500 5.045 4.304 5.400 . 0 0 "[ . 1 . 2]" 1
622 1 32 GLN QB 1 37 SER QB . . 8.500 3.740 2.901 4.151 . 0 0 "[ . 1 . 2]" 1
623 1 32 GLN QE 1 33 THR H . . 7.370 5.091 2.750 5.881 . 0 0 "[ . 1 . 2]" 1
624 1 32 GLN QE 1 33 THR HA . . 7.370 5.626 2.184 6.588 . 0 0 "[ . 1 . 2]" 1
625 1 32 GLN QG 1 33 THR HA . . 6.280 4.674 3.427 5.631 . 0 0 "[ . 1 . 2]" 1
626 1 32 GLN QG 1 35 GLY H . . 7.380 4.851 4.178 5.750 . 0 0 "[ . 1 . 2]" 1
627 1 32 GLN HG2 1 33 THR H . . 5.600 4.488 3.709 5.258 . 0 0 "[ . 1 . 2]" 1
628 1 32 GLN HG2 1 37 SER H . . 6.500 5.206 4.317 6.455 . 0 0 "[ . 1 . 2]" 1
629 1 32 GLN HG2 1 37 SER QB . . 7.500 3.662 2.447 6.076 . 0 0 "[ . 1 . 2]" 1
630 1 32 GLN HG3 1 33 THR H . . 5.600 4.802 4.429 5.168 . 0 0 "[ . 1 . 2]" 1
631 1 32 GLN HG3 1 37 SER H . . 6.500 5.109 4.337 6.514 0.014 1 0 "[ . 1 . 2]" 1
632 1 32 GLN HG3 1 37 SER QB . . 7.500 3.326 2.293 4.795 . 0 0 "[ . 1 . 2]" 1
633 1 33 THR H 1 33 THR MG . . 4.000 3.084 2.827 3.373 . 0 0 "[ . 1 . 2]" 1
634 1 33 THR H 1 34 SER H . . 3.800 2.712 2.654 2.799 . 0 0 "[ . 1 . 2]" 1
635 1 33 THR H 1 34 SER HA . . 5.300 5.325 5.271 5.346 0.046 17 0 "[ . 1 . 2]" 1
636 1 33 THR H 1 35 GLY H . . 6.400 4.056 3.827 4.185 . 0 0 "[ . 1 . 2]" 1
637 1 33 THR H 1 37 SER H . . 6.400 5.910 5.423 6.227 . 0 0 "[ . 1 . 2]" 1
638 1 33 THR HA 1 35 GLY H . . 5.400 3.805 3.327 4.451 . 0 0 "[ . 1 . 2]" 1
639 1 33 THR HB 1 34 SER H . . 4.000 3.605 3.294 3.887 . 0 0 "[ . 1 . 2]" 1
640 1 33 THR HB 1 34 SER HA . . 5.700 5.512 5.243 5.714 0.014 11 0 "[ . 1 . 2]" 1
641 1 33 THR MG 1 34 SER H . . 5.600 2.543 2.190 2.960 . 0 0 "[ . 1 . 2]" 1
642 1 33 THR MG 1 35 GLY H . . 5.600 4.437 4.219 4.634 . 0 0 "[ . 1 . 2]" 1
643 1 33 THR MG 1 35 GLY QA . . 8.380 5.617 5.427 5.850 . 0 0 "[ . 1 . 2]" 1
644 1 34 SER H 1 35 GLY H . . 4.000 2.548 2.415 2.764 . 0 0 "[ . 1 . 2]" 1
645 1 34 SER H 1 35 GLY QA . . 7.380 4.451 4.327 4.623 . 0 0 "[ . 1 . 2]" 1
646 1 34 SER H 1 36 LEU H . . 4.900 3.862 3.466 4.304 . 0 0 "[ . 1 . 2]" 1
647 1 34 SER HA 1 35 GLY HA2 . . 6.500 5.124 4.989 5.301 . 0 0 "[ . 1 . 2]" 1
648 1 34 SER HA 1 35 GLY QA . . 6.240 4.246 4.143 4.422 . 0 0 "[ . 1 . 2]" 1
649 1 34 SER HA 1 35 GLY HA3 . . 6.500 4.533 4.406 4.747 . 0 0 "[ . 1 . 2]" 1
650 1 34 SER HA 1 36 LEU H . . 5.700 4.388 4.166 4.885 . 0 0 "[ . 1 . 2]" 1
651 1 34 SER QB 1 36 LEU QB . . 8.380 3.266 2.446 4.272 . 0 0 "[ . 1 . 2]" 1
652 1 35 GLY H 1 36 LEU H . . 3.900 2.604 1.972 3.104 . 0 0 "[ . 1 . 2]" 1
653 1 35 GLY H 1 36 LEU HA . . 5.400 5.185 4.656 5.426 0.026 10 0 "[ . 1 . 2]" 1
654 1 35 GLY H 1 36 LEU HB2 . . 5.900 4.486 4.144 4.782 . 0 0 "[ . 1 . 2]" 1
655 1 35 GLY H 1 36 LEU QB . . 5.310 4.356 4.034 4.602 . 0 0 "[ . 1 . 2]" 1
656 1 35 GLY H 1 36 LEU HB3 . . 5.900 5.906 5.533 5.989 0.089 4 0 "[ . 1 . 2]" 1
657 1 35 GLY H 1 36 LEU QD . . 8.470 4.511 3.588 5.144 . 0 0 "[ . 1 . 2]" 1
658 1 35 GLY H 1 36 LEU HG . . 6.400 4.750 3.785 6.449 0.049 17 0 "[ . 1 . 2]" 1
659 1 35 GLY H 1 37 SER H . . 5.400 3.794 3.417 4.105 . 0 0 "[ . 1 . 2]" 1
660 1 35 GLY H 1 38 LYS QB . . 7.380 4.843 4.444 5.453 . 0 0 "[ . 1 . 2]" 1
661 1 35 GLY H 1 39 MET H . . 6.000 6.000 5.677 6.139 0.139 4 0 "[ . 1 . 2]" 1
662 1 35 GLY QA 1 36 LEU QB . . 6.840 4.600 4.446 4.716 . 0 0 "[ . 1 . 2]" 1
663 1 35 GLY QA 1 37 SER H . . 6.190 3.630 2.919 4.110 . 0 0 "[ . 1 . 2]" 1
664 1 35 GLY QA 1 37 SER QB . . 8.380 4.520 3.329 5.581 . 0 0 "[ . 1 . 2]" 1
665 1 35 GLY QA 1 38 LYS H . . 6.340 3.205 2.898 3.478 . 0 0 "[ . 1 . 2]" 1
666 1 35 GLY QA 1 38 LYS QD . . 6.870 4.098 3.476 5.207 . 0 0 "[ . 1 . 2]" 1
667 1 35 GLY QA 1 39 MET H . . 6.480 4.063 3.851 4.453 . 0 0 "[ . 1 . 2]" 1
668 1 35 GLY HA2 1 36 LEU HB2 . . 8.250 5.400 5.167 5.637 . 0 0 "[ . 1 . 2]" 1
669 1 35 GLY HA2 1 36 LEU HB3 . . 8.250 6.395 6.209 6.512 . 0 0 "[ . 1 . 2]" 1
670 1 35 GLY HA2 1 37 SER H . . 6.500 3.777 2.974 4.369 . 0 0 "[ . 1 . 2]" 1
671 1 35 GLY HA2 1 38 LYS H . . 6.500 3.331 2.984 3.604 . 0 0 "[ . 1 . 2]" 1
672 1 35 GLY HA2 1 38 LYS HD2 . . 7.950 4.988 3.683 5.943 . 0 0 "[ . 1 . 2]" 1
673 1 35 GLY HA2 1 38 LYS HD3 . . 7.950 4.990 3.887 6.538 . 0 0 "[ . 1 . 2]" 1
674 1 35 GLY HA2 1 38 LYS QG . . 7.500 4.803 4.358 5.521 . 0 0 "[ . 1 . 2]" 1
675 1 35 GLY HA3 1 36 LEU HB2 . . 8.250 5.541 5.179 5.930 . 0 0 "[ . 1 . 2]" 1
676 1 35 GLY HA3 1 36 LEU HB3 . . 8.250 6.361 6.177 6.606 . 0 0 "[ . 1 . 2]" 1
677 1 35 GLY HA3 1 37 SER H . . 6.500 4.728 4.247 5.041 . 0 0 "[ . 1 . 2]" 1
678 1 35 GLY HA3 1 38 LYS H . . 6.500 4.185 3.884 4.578 . 0 0 "[ . 1 . 2]" 1
679 1 35 GLY HA3 1 38 LYS HD2 . . 7.950 5.986 4.711 7.086 . 0 0 "[ . 1 . 2]" 1
680 1 35 GLY HA3 1 38 LYS HD3 . . 7.950 5.862 4.970 7.573 . 0 0 "[ . 1 . 2]" 1
681 1 35 GLY HA3 1 38 LYS QG . . 7.500 5.551 4.966 6.322 . 0 0 "[ . 1 . 2]" 1
682 1 36 LEU H 1 36 LEU QB . . 3.900 2.306 2.093 2.468 . 0 0 "[ . 1 . 2]" 1
683 1 36 LEU H 1 36 LEU HG . . 3.900 2.561 2.037 3.920 0.020 17 0 "[ . 1 . 2]" 1
684 1 36 LEU H 1 37 SER QB . . 7.200 4.714 4.190 5.568 . 0 0 "[ . 1 . 2]" 1
685 1 36 LEU H 1 38 LYS H . . 5.100 4.028 3.839 4.390 . 0 0 "[ . 1 . 2]" 1
686 1 36 LEU H 1 39 MET H . . 5.900 4.636 4.534 4.729 . 0 0 "[ . 1 . 2]" 1
687 1 36 LEU H 1 107 VAL MG1 . . 7.500 4.560 4.378 4.754 . 0 0 "[ . 1 . 2]" 1
688 1 36 LEU H 1 107 VAL QG . . 7.180 4.357 4.193 4.506 . 0 0 "[ . 1 . 2]" 1
689 1 36 LEU H 1 107 VAL MG2 . . 7.500 5.555 5.092 5.955 . 0 0 "[ . 1 . 2]" 1
690 1 36 LEU HA 1 38 LYS H . . 5.800 3.758 3.406 4.154 . 0 0 "[ . 1 . 2]" 1
691 1 36 LEU HA 1 39 MET H . . 4.800 3.087 2.685 3.412 . 0 0 "[ . 1 . 2]" 1
692 1 36 LEU HA 1 107 VAL QG . . 8.960 3.475 3.177 3.764 . 0 0 "[ . 1 . 2]" 1
693 1 36 LEU QB 1 37 SER H . . 4.700 2.844 2.564 3.161 . 0 0 "[ . 1 . 2]" 1
694 1 36 LEU QB 1 37 SER HA . . 7.380 4.154 3.831 4.378 . 0 0 "[ . 1 . 2]" 1
695 1 36 LEU QB 1 38 LYS H . . 6.190 4.539 4.390 4.663 . 0 0 "[ . 1 . 2]" 1
696 1 36 LEU QB 1 39 MET H . . 6.150 4.697 4.210 4.831 . 0 0 "[ . 1 . 2]" 1
697 1 36 LEU QB 1 44 VAL HA . . 6.980 4.904 4.557 5.289 . 0 0 "[ . 1 . 2]" 1
698 1 36 LEU QB 1 44 VAL QG . . 9.940 2.987 2.662 3.433 . 0 0 "[ . 1 . 2]" 1
699 1 36 LEU QB 1 107 VAL QG . . 8.840 1.954 1.841 2.183 . 0 0 "[ . 1 . 2]" 1
700 1 36 LEU HB2 1 37 SER H . . 5.300 2.966 2.619 3.444 . 0 0 "[ . 1 . 2]" 1
701 1 36 LEU HB2 1 38 LYS H . . 6.500 4.981 4.746 5.186 . 0 0 "[ . 1 . 2]" 1
702 1 36 LEU HB2 1 39 MET H . . 6.500 5.440 5.053 5.571 . 0 0 "[ . 1 . 2]" 1
703 1 36 LEU HB3 1 37 SER H . . 5.300 3.746 3.146 4.123 . 0 0 "[ . 1 . 2]" 1
704 1 36 LEU HB3 1 38 LYS H . . 6.500 5.239 5.053 5.424 . 0 0 "[ . 1 . 2]" 1
705 1 36 LEU HB3 1 39 MET H . . 6.500 5.138 4.506 5.316 . 0 0 "[ . 1 . 2]" 1
706 1 36 LEU QD 1 37 SER H . . 9.070 4.217 3.978 4.376 . 0 0 "[ . 1 . 2]" 1
707 1 36 LEU QD 1 39 MET H . . 8.070 4.522 3.894 5.170 . 0 0 "[ . 1 . 2]" 1
708 1 36 LEU QD 1 107 VAL QG . . 11.130 2.423 2.006 2.860 . 0 0 "[ . 1 . 2]" 1
709 1 36 LEU HG 1 37 SER H . . 5.200 4.664 4.321 5.215 0.015 20 0 "[ . 1 . 2]" 1
710 1 36 LEU HG 1 107 VAL MG1 . . 7.500 4.329 3.644 4.821 . 0 0 "[ . 1 . 2]" 1
711 1 36 LEU HG 1 107 VAL QG . . 7.040 4.010 3.149 4.483 . 0 0 "[ . 1 . 2]" 1
712 1 36 LEU HG 1 107 VAL MG2 . . 7.500 4.821 3.364 5.546 . 0 0 "[ . 1 . 2]" 1
713 1 37 SER H 1 38 LYS H . . 4.100 2.604 2.429 2.703 . 0 0 "[ . 1 . 2]" 1
714 1 37 SER H 1 38 LYS HA . . 5.200 5.211 5.106 5.254 0.054 20 0 "[ . 1 . 2]" 1
715 1 37 SER H 1 38 LYS HB2 . . 5.600 4.459 4.199 4.714 . 0 0 "[ . 1 . 2]" 1
716 1 37 SER H 1 38 LYS QB . . 5.330 4.271 4.065 4.468 . 0 0 "[ . 1 . 2]" 1
717 1 37 SER H 1 38 LYS HB3 . . 5.600 5.493 5.193 5.625 0.025 6 0 "[ . 1 . 2]" 1
718 1 37 SER H 1 38 LYS QG . . 7.400 6.013 5.495 6.276 . 0 0 "[ . 1 . 2]" 1
719 1 37 SER H 1 39 MET H . . 5.300 4.033 3.895 4.175 . 0 0 "[ . 1 . 2]" 1
720 1 37 SER H 1 44 VAL QG . . 7.760 4.894 4.445 5.243 . 0 0 "[ . 1 . 2]" 1
721 1 37 SER H 1 107 VAL HA . . 5.900 5.318 4.874 5.739 . 0 0 "[ . 1 . 2]" 1
722 1 37 SER H 1 107 VAL MG1 . . 7.000 3.658 3.064 4.135 . 0 0 "[ . 1 . 2]" 1
723 1 37 SER H 1 107 VAL QG . . 6.240 3.587 3.025 4.047 . 0 0 "[ . 1 . 2]" 1
724 1 37 SER H 1 107 VAL MG2 . . 7.000 5.205 4.619 5.769 . 0 0 "[ . 1 . 2]" 1
725 1 37 SER HA 1 38 LYS HA . . 4.800 4.662 4.549 4.746 . 0 0 "[ . 1 . 2]" 1
726 1 37 SER HA 1 39 MET H . . 5.700 4.397 4.207 4.648 . 0 0 "[ . 1 . 2]" 1
727 1 37 SER HA 1 107 VAL HB . . 6.500 5.575 4.659 6.397 . 0 0 "[ . 1 . 2]" 1
728 1 37 SER HA 1 107 VAL MG1 . . 7.100 3.022 2.166 3.852 . 0 0 "[ . 1 . 2]" 1
729 1 37 SER HA 1 107 VAL QG . . 6.110 2.997 2.161 3.800 . 0 0 "[ . 1 . 2]" 1
730 1 37 SER HA 1 107 VAL MG2 . . 7.100 5.128 4.419 5.810 . 0 0 "[ . 1 . 2]" 1
731 1 37 SER HA 1 108 HIS HA . . 4.100 3.768 2.802 4.164 0.064 12 0 "[ . 1 . 2]" 1
732 1 37 SER QB 1 39 MET H . . 7.500 4.940 4.696 5.247 . 0 0 "[ . 1 . 2]" 1
733 1 37 SER QB 1 107 VAL MG1 . . 8.500 3.971 2.909 4.656 . 0 0 "[ . 1 . 2]" 1
734 1 37 SER QB 1 107 VAL MG2 . . 8.500 5.284 4.383 5.927 . 0 0 "[ . 1 . 2]" 1
735 1 38 LYS H 1 38 LYS QD . . 5.280 4.064 3.184 4.644 . 0 0 "[ . 1 . 2]" 1
736 1 38 LYS H 1 38 LYS QE . . 7.300 5.485 4.568 6.220 . 0 0 "[ . 1 . 2]" 1
737 1 38 LYS H 1 39 MET H . . 3.600 2.103 2.027 2.208 . 0 0 "[ . 1 . 2]" 1
738 1 38 LYS H 1 39 MET HA . . 4.800 4.770 4.630 4.841 0.041 13 0 "[ . 1 . 2]" 1
739 1 38 LYS H 1 39 MET HB2 . . 5.500 4.054 3.955 4.144 . 0 0 "[ . 1 . 2]" 1
740 1 38 LYS H 1 39 MET HB3 . . 5.500 5.536 5.470 5.562 0.062 3 0 "[ . 1 . 2]" 1
741 1 38 LYS H 1 39 MET HG2 . . 6.300 5.033 4.004 6.027 . 0 0 "[ . 1 . 2]" 1
742 1 38 LYS H 1 39 MET QG . . 5.940 4.205 3.839 4.847 . 0 0 "[ . 1 . 2]" 1
743 1 38 LYS H 1 39 MET HG3 . . 6.300 4.917 3.939 6.033 . 0 0 "[ . 1 . 2]" 1
744 1 38 LYS H 1 44 VAL QG . . 8.360 4.949 4.736 5.254 . 0 0 "[ . 1 . 2]" 1
745 1 38 LYS H 1 107 VAL QG . . 9.060 4.758 4.385 5.171 . 0 0 "[ . 1 . 2]" 1
746 1 38 LYS HA 1 38 LYS QG . . 3.900 2.257 2.090 2.457 . 0 0 "[ . 1 . 2]" 1
747 1 38 LYS QB 1 39 MET H . . 3.700 2.849 2.688 3.136 . 0 0 "[ . 1 . 2]" 1
748 1 38 LYS QB 1 39 MET HA . . 5.030 3.932 3.775 4.058 . 0 0 "[ . 1 . 2]" 1
749 1 38 LYS HB2 1 39 MET H . . 4.000 3.502 3.275 3.736 . 0 0 "[ . 1 . 2]" 1
750 1 38 LYS HB2 1 39 MET HA . . 5.400 5.385 5.093 5.457 0.057 19 0 "[ . 1 . 2]" 1
751 1 38 LYS HB3 1 39 MET H . . 4.000 3.028 2.781 3.372 . 0 0 "[ . 1 . 2]" 1
752 1 38 LYS HB3 1 39 MET HA . . 5.400 4.042 3.891 4.196 . 0 0 "[ . 1 . 2]" 1
753 1 38 LYS QD 1 39 MET H . . 6.580 4.875 4.262 5.650 . 0 0 "[ . 1 . 2]" 1
754 1 38 LYS QE 1 39 MET H . . 7.500 6.093 4.916 6.529 . 0 0 "[ . 1 . 2]" 1
755 1 38 LYS QG 1 39 MET H . . 6.000 4.476 4.292 4.701 . 0 0 "[ . 1 . 2]" 1
756 1 38 LYS QG 1 39 MET HA . . 7.500 5.094 4.716 5.608 . 0 0 "[ . 1 . 2]" 1
757 1 39 MET H 1 39 MET HG2 . . 4.000 3.230 2.399 3.960 . 0 0 "[ . 1 . 2]" 1
758 1 39 MET H 1 39 MET QG . . 3.610 2.632 2.337 3.227 . 0 0 "[ . 1 . 2]" 1
759 1 39 MET H 1 39 MET HG3 . . 4.000 3.212 2.379 4.016 0.016 16 0 "[ . 1 . 2]" 1
760 1 39 MET H 1 40 SER H . . 5.100 4.348 3.077 4.687 . 0 0 "[ . 1 . 2]" 1
761 1 39 MET H 1 43 GLN QB . . 6.300 5.186 4.883 5.594 . 0 0 "[ . 1 . 2]" 1
762 1 39 MET H 1 44 VAL MG1 . . 7.500 6.266 6.210 6.298 . 0 0 "[ . 1 . 2]" 1
763 1 39 MET H 1 44 VAL MG2 . . 7.500 4.021 3.920 4.337 . 0 0 "[ . 1 . 2]" 1
764 1 39 MET H 1 107 VAL QG . . 6.860 4.721 4.551 4.950 . 0 0 "[ . 1 . 2]" 1
765 1 39 MET HA 1 43 GLN QB . . 5.900 3.546 3.171 4.047 . 0 0 "[ . 1 . 2]" 1
766 1 39 MET HA 1 44 VAL H . . 5.700 5.500 5.075 5.759 0.059 8 0 "[ . 1 . 2]" 1
767 1 39 MET QB 1 43 GLN QE . . 8.240 4.944 3.784 5.911 . 0 0 "[ . 1 . 2]" 1
768 1 39 MET HB2 1 40 SER H . . 5.200 3.932 2.468 4.538 . 0 0 "[ . 1 . 2]" 1
769 1 39 MET HB3 1 40 SER H . . 5.200 3.114 2.396 3.615 . 0 0 "[ . 1 . 2]" 1
770 1 39 MET QG 1 40 SER H . . 5.030 4.111 3.465 4.520 . 0 0 "[ . 1 . 2]" 1
771 1 39 MET QG 1 43 GLN QE . . 8.240 4.478 3.470 5.695 . 0 0 "[ . 1 . 2]" 1
772 1 39 MET HG2 1 40 SER H . . 5.400 4.480 3.564 5.402 0.002 16 0 "[ . 1 . 2]" 1
773 1 39 MET HG3 1 40 SER H . . 5.400 4.923 4.355 5.256 . 0 0 "[ . 1 . 2]" 1
774 1 40 SER H 1 40 SER HB2 . . 4.200 2.894 2.299 3.846 . 0 0 "[ . 1 . 2]" 1
775 1 40 SER H 1 40 SER HB3 . . 4.200 3.247 2.380 4.181 . 0 0 "[ . 1 . 2]" 1
776 1 40 SER H 1 42 ASN H . . 5.100 5.094 4.794 5.194 0.094 20 0 "[ . 1 . 2]" 1
777 1 40 SER H 1 42 ASN QB . . 7.380 5.094 4.513 6.364 . 0 0 "[ . 1 . 2]" 1
778 1 40 SER H 1 43 GLN H . . 5.500 4.035 3.620 5.084 . 0 0 "[ . 1 . 2]" 1
779 1 40 SER H 1 43 GLN QB . . 6.500 3.156 2.681 4.096 . 0 0 "[ . 1 . 2]" 1
780 1 40 SER H 1 43 GLN QG . . 7.500 4.286 3.246 5.540 . 0 0 "[ . 1 . 2]" 1
781 1 40 SER H 1 44 VAL H . . 6.300 4.513 3.692 5.214 . 0 0 "[ . 1 . 2]" 1
782 1 40 SER H 1 44 VAL QG . . 7.260 3.763 2.399 4.429 . 0 0 "[ . 1 . 2]" 1
783 1 40 SER HA 1 41 ALA HA . . 5.200 4.394 4.235 4.473 . 0 0 "[ . 1 . 2]" 1
784 1 40 SER HA 1 42 ASN H . . 6.500 4.259 3.973 4.450 . 0 0 "[ . 1 . 2]" 1
785 1 40 SER HA 1 43 GLN H . . 5.100 4.793 4.645 5.124 0.024 20 0 "[ . 1 . 2]" 1
786 1 40 SER QB 1 41 ALA H . . 4.380 3.003 2.566 3.617 . 0 0 "[ . 1 . 2]" 1
787 1 40 SER QB 1 41 ALA MB . . 7.200 3.991 3.642 4.521 . 0 0 "[ . 1 . 2]" 1
788 1 40 SER QB 1 42 ASN H . . 6.680 2.891 2.566 3.271 . 0 0 "[ . 1 . 2]" 1
789 1 40 SER QB 1 42 ASN QB . . 8.250 2.979 2.678 3.998 . 0 0 "[ . 1 . 2]" 1
790 1 40 SER QB 1 44 VAL H . . 6.100 4.559 4.223 5.151 . 0 0 "[ . 1 . 2]" 1
791 1 40 SER QB 1 44 VAL HB . . 7.380 5.805 5.380 6.592 . 0 0 "[ . 1 . 2]" 1
792 1 40 SER QB 1 44 VAL QG . . 9.940 4.505 4.139 4.764 . 0 0 "[ . 1 . 2]" 1
793 1 40 SER HB2 1 41 ALA H . . 4.800 3.760 2.608 4.149 . 0 0 "[ . 1 . 2]" 1
794 1 40 SER HB2 1 41 ALA MB . . 7.500 4.852 3.807 5.389 . 0 0 "[ . 1 . 2]" 1
795 1 40 SER HB2 1 43 GLN QB . . 7.500 4.117 2.962 5.345 . 0 0 "[ . 1 . 2]" 1
796 1 40 SER HB2 1 43 GLN QG . . 7.500 4.836 2.811 6.568 . 0 0 "[ . 1 . 2]" 1
797 1 40 SER HB2 1 44 VAL H . . 6.500 5.297 4.495 6.498 . 0 0 "[ . 1 . 2]" 1
798 1 40 SER HB3 1 41 ALA H . . 4.800 3.296 2.688 4.019 . 0 0 "[ . 1 . 2]" 1
799 1 40 SER HB3 1 41 ALA MB . . 7.500 4.357 3.758 5.262 . 0 0 "[ . 1 . 2]" 1
800 1 40 SER HB3 1 43 GLN QB . . 7.500 4.364 3.140 5.326 . 0 0 "[ . 1 . 2]" 1
801 1 40 SER HB3 1 43 GLN QG . . 7.500 5.131 3.408 6.688 . 0 0 "[ . 1 . 2]" 1
802 1 40 SER HB3 1 44 VAL H . . 6.500 5.258 4.344 6.136 . 0 0 "[ . 1 . 2]" 1
803 1 41 ALA H 1 41 ALA MB . . 3.400 2.223 2.196 2.264 . 0 0 "[ . 1 . 2]" 1
804 1 41 ALA H 1 42 ASN H . . 4.200 2.975 2.842 3.062 . 0 0 "[ . 1 . 2]" 1
805 1 41 ALA H 1 43 GLN H . . 6.500 4.668 4.575 4.914 . 0 0 "[ . 1 . 2]" 1
806 1 41 ALA H 1 44 VAL H . . 6.100 4.708 4.627 4.938 . 0 0 "[ . 1 . 2]" 1
807 1 41 ALA H 1 44 VAL QG . . 7.960 4.020 3.763 4.267 . 0 0 "[ . 1 . 2]" 1
808 1 41 ALA H 1 104 GLN QE . . 7.370 5.193 3.050 6.512 . 0 0 "[ . 1 . 2]" 1
809 1 41 ALA H 1 104 GLN QG . . 6.880 4.987 4.543 5.594 . 0 0 "[ . 1 . 2]" 1
810 1 41 ALA HA 1 44 VAL H . . 5.500 3.482 3.257 3.920 . 0 0 "[ . 1 . 2]" 1
811 1 41 ALA HA 1 44 VAL HB . . 4.200 2.358 2.234 2.557 . 0 0 "[ . 1 . 2]" 1
812 1 41 ALA HA 1 44 VAL QG . . 7.060 2.947 2.624 3.191 . 0 0 "[ . 1 . 2]" 1
813 1 41 ALA HA 1 104 GLN HE21 . . 5.700 4.080 3.139 4.961 . 0 0 "[ . 1 . 2]" 1
814 1 41 ALA HA 1 104 GLN HE22 . . 5.700 4.610 3.132 5.309 . 0 0 "[ . 1 . 2]" 1
815 1 41 ALA HA 1 104 GLN QG . . 5.880 2.874 2.463 3.242 . 0 0 "[ . 1 . 2]" 1
816 1 41 ALA HA 1 107 VAL HB . . 6.500 5.931 5.393 6.412 . 0 0 "[ . 1 . 2]" 1
817 1 41 ALA MB 1 42 ASN H . . 4.400 2.552 2.404 2.742 . 0 0 "[ . 1 . 2]" 1
818 1 41 ALA MB 1 42 ASN HB2 . . 6.600 4.733 4.279 4.992 . 0 0 "[ . 1 . 2]" 1
819 1 41 ALA MB 1 42 ASN QB . . 6.440 4.426 4.122 4.582 . 0 0 "[ . 1 . 2]" 1
820 1 41 ALA MB 1 42 ASN HB3 . . 6.600 5.342 5.225 5.499 . 0 0 "[ . 1 . 2]" 1
821 1 41 ALA MB 1 43 GLN H . . 6.500 4.742 4.622 4.896 . 0 0 "[ . 1 . 2]" 1
822 1 41 ALA MB 1 104 GLN HE21 . . 5.600 3.028 2.293 4.134 . 0 0 "[ . 1 . 2]" 1
823 1 41 ALA MB 1 104 GLN QE . . 5.430 2.604 2.206 3.426 . 0 0 "[ . 1 . 2]" 1
824 1 41 ALA MB 1 104 GLN HE22 . . 5.600 2.940 2.499 3.735 . 0 0 "[ . 1 . 2]" 1
825 1 42 ASN H 1 42 ASN HB2 . . 3.800 2.573 2.122 2.779 . 0 0 "[ . 1 . 2]" 1
826 1 42 ASN H 1 42 ASN HB3 . . 3.800 3.582 3.403 3.659 . 0 0 "[ . 1 . 2]" 1
827 1 42 ASN H 1 42 ASN HD21 . . 4.600 3.322 2.222 4.370 . 0 0 "[ . 1 . 2]" 1
828 1 42 ASN H 1 42 ASN QD . . 4.420 3.089 2.188 3.890 . 0 0 "[ . 1 . 2]" 1
829 1 42 ASN H 1 42 ASN HD22 . . 4.600 3.879 3.113 4.452 . 0 0 "[ . 1 . 2]" 1
830 1 42 ASN H 1 43 GLN H . . 4.000 2.886 2.563 3.060 . 0 0 "[ . 1 . 2]" 1
831 1 42 ASN H 1 43 GLN QB . . 6.200 4.676 4.205 4.978 . 0 0 "[ . 1 . 2]" 1
832 1 42 ASN H 1 44 VAL H . . 5.700 4.102 3.668 4.314 . 0 0 "[ . 1 . 2]" 1
833 1 42 ASN H 1 44 VAL HB . . 6.000 4.916 4.465 5.357 . 0 0 "[ . 1 . 2]" 1
834 1 42 ASN H 1 44 VAL QG . . 7.960 4.714 4.373 4.884 . 0 0 "[ . 1 . 2]" 1
835 1 42 ASN H 1 45 LYS H . . 5.000 4.667 4.487 4.760 . 0 0 "[ . 1 . 2]" 1
836 1 42 ASN HA 1 42 ASN HD21 . . 4.900 4.097 2.606 4.576 . 0 0 "[ . 1 . 2]" 1
837 1 42 ASN HA 1 42 ASN HD22 . . 4.900 4.501 3.539 4.818 . 0 0 "[ . 1 . 2]" 1
838 1 42 ASN HA 1 45 LYS H . . 5.900 3.840 3.628 4.085 . 0 0 "[ . 1 . 2]" 1
839 1 42 ASN HA 1 45 LYS HB2 . . 4.700 3.978 3.315 4.652 . 0 0 "[ . 1 . 2]" 1
840 1 42 ASN HA 1 45 LYS QB . . 4.280 3.124 2.784 3.400 . 0 0 "[ . 1 . 2]" 1
841 1 42 ASN HA 1 45 LYS HB3 . . 4.700 3.286 2.879 3.545 . 0 0 "[ . 1 . 2]" 1
842 1 42 ASN QB 1 44 VAL H . . 6.150 4.513 4.349 4.693 . 0 0 "[ . 1 . 2]" 1
843 1 42 ASN QB 1 44 VAL QG . . 9.940 5.296 5.055 5.432 . 0 0 "[ . 1 . 2]" 1
844 1 42 ASN HB2 1 44 VAL H . . 6.500 4.797 4.569 5.193 . 0 0 "[ . 1 . 2]" 1
845 1 42 ASN HB3 1 44 VAL H . . 6.500 5.551 5.116 5.786 . 0 0 "[ . 1 . 2]" 1
846 1 42 ASN QD 1 43 GLN QG . . 8.370 5.385 3.991 6.663 . 0 0 "[ . 1 . 2]" 1
847 1 42 ASN HD21 1 43 GLN H . . 6.500 4.425 3.337 5.501 . 0 0 "[ . 1 . 2]" 1
848 1 42 ASN HD22 1 43 GLN H . . 6.500 5.624 4.918 6.258 . 0 0 "[ . 1 . 2]" 1
849 1 43 GLN H 1 43 GLN QG . . 4.300 3.069 2.264 3.866 . 0 0 "[ . 1 . 2]" 1
850 1 43 GLN H 1 44 VAL H . . 4.000 2.592 2.424 2.765 . 0 0 "[ . 1 . 2]" 1
851 1 43 GLN H 1 44 VAL HB . . 4.800 4.637 4.264 4.813 0.013 13 0 "[ . 1 . 2]" 1
852 1 43 GLN H 1 44 VAL QG . . 8.560 3.928 3.545 4.126 . 0 0 "[ . 1 . 2]" 1
853 1 43 GLN HA 1 45 LYS H . . 6.500 4.404 4.142 4.621 . 0 0 "[ . 1 . 2]" 1
854 1 43 GLN HA 1 46 ASP H . . 5.900 3.208 2.919 3.433 . 0 0 "[ . 1 . 2]" 1
855 1 43 GLN QB 1 44 VAL QG . . 9.560 3.254 3.108 3.416 . 0 0 "[ . 1 . 2]" 1
856 1 43 GLN QG 1 44 VAL HA . . 7.500 5.703 3.726 5.962 . 0 0 "[ . 1 . 2]" 1
857 1 43 GLN QG 1 44 VAL QG . . 10.060 4.817 3.744 5.030 . 0 0 "[ . 1 . 2]" 1
858 1 44 VAL H 1 44 VAL HB . . 3.700 2.356 2.166 2.596 . 0 0 "[ . 1 . 2]" 1
859 1 44 VAL H 1 45 LYS H . . 4.400 2.748 2.611 2.948 . 0 0 "[ . 1 . 2]" 1
860 1 44 VAL H 1 45 LYS QB . . 6.080 4.479 4.355 4.662 . 0 0 "[ . 1 . 2]" 1
861 1 44 VAL H 1 47 VAL H . . 6.400 4.821 4.655 4.924 . 0 0 "[ . 1 . 2]" 1
862 1 44 VAL H 1 47 VAL QG . . 7.660 3.940 3.835 4.131 . 0 0 "[ . 1 . 2]" 1
863 1 44 VAL H 1 104 GLN HA . . 6.500 6.559 6.480 6.602 0.102 7 0 "[ . 1 . 2]" 1
864 1 44 VAL H 1 104 GLN QE . . 7.370 6.356 5.131 6.597 . 0 0 "[ . 1 . 2]" 1
865 1 44 VAL HA 1 44 VAL MG1 . . 3.700 2.462 2.300 2.567 . 0 0 "[ . 1 . 2]" 1
866 1 44 VAL HA 1 44 VAL MG2 . . 3.700 2.367 2.296 2.506 . 0 0 "[ . 1 . 2]" 1
867 1 44 VAL HA 1 45 LYS HA . . 5.400 4.797 4.688 4.905 . 0 0 "[ . 1 . 2]" 1
868 1 44 VAL HA 1 47 VAL H . . 5.200 3.638 3.326 3.901 . 0 0 "[ . 1 . 2]" 1
869 1 44 VAL HA 1 47 VAL HB . . 4.800 4.875 4.845 4.900 0.100 12 0 "[ . 1 . 2]" 1
870 1 44 VAL HA 1 47 VAL QG . . 7.260 2.014 1.977 2.135 . 0 0 "[ . 1 . 2]" 1
871 1 44 VAL HA 1 48 PHE H . . 5.700 3.870 3.597 4.142 . 0 0 "[ . 1 . 2]" 1
872 1 44 VAL HA 1 48 PHE HA . . 6.500 6.097 5.683 6.470 . 0 0 "[ . 1 . 2]" 1
873 1 44 VAL HB 1 45 LYS H . . 4.500 2.676 2.508 2.914 . 0 0 "[ . 1 . 2]" 1
874 1 44 VAL HB 1 104 GLN QE . . 6.170 4.836 3.904 5.170 . 0 0 "[ . 1 . 2]" 1
875 1 44 VAL HB 1 107 VAL MG1 . . 7.500 3.817 3.490 4.102 . 0 0 "[ . 1 . 2]" 1
876 1 44 VAL HB 1 107 VAL QG . . 7.040 3.736 3.432 4.003 . 0 0 "[ . 1 . 2]" 1
877 1 44 VAL HB 1 107 VAL MG2 . . 7.500 5.360 4.898 5.670 . 0 0 "[ . 1 . 2]" 1
878 1 44 VAL QG 1 45 LYS H . . 7.260 3.213 3.024 3.457 . 0 0 "[ . 1 . 2]" 1
879 1 44 VAL QG 1 45 LYS HA . . 8.560 3.565 3.320 4.143 . 0 0 "[ . 1 . 2]" 1
880 1 44 VAL QG 1 47 VAL H . . 7.760 4.613 4.376 4.797 . 0 0 "[ . 1 . 2]" 1
881 1 44 VAL QG 1 48 PHE H . . 6.860 4.002 3.741 4.203 . 0 0 "[ . 1 . 2]" 1
882 1 44 VAL QG 1 48 PHE HA . . 9.060 5.118 4.648 5.545 . 0 0 "[ . 1 . 2]" 1
883 1 44 VAL QG 1 103 PHE HA . . 9.060 5.376 5.200 5.773 . 0 0 "[ . 1 . 2]" 1
884 1 44 VAL QG 1 104 GLN H . . 7.060 4.143 3.829 4.548 . 0 0 "[ . 1 . 2]" 1
885 1 44 VAL QG 1 104 GLN HA . . 6.020 2.323 2.149 2.638 . 0 0 "[ . 1 . 2]" 1
886 1 44 VAL QG 1 104 GLN QB . . 8.560 3.172 2.590 3.761 . 0 0 "[ . 1 . 2]" 1
887 1 44 VAL QG 1 104 GLN QG . . 5.400 2.565 2.161 3.613 . 0 0 "[ . 1 . 2]" 1
888 1 44 VAL QG 1 107 VAL HA . . 9.060 4.321 4.046 4.656 . 0 0 "[ . 1 . 2]" 1
889 1 44 VAL QG 1 107 VAL HB . . 7.960 2.354 2.158 2.664 . 0 0 "[ . 1 . 2]" 1
890 1 44 VAL QG 1 107 VAL QG . . 7.120 1.786 1.655 1.937 . 0 0 "[ . 1 . 2]" 1
891 1 44 VAL MG1 1 104 GLN HA . . 7.300 2.335 2.154 2.680 . 0 0 "[ . 1 . 2]" 1
892 1 44 VAL MG1 1 104 GLN HG2 . . 6.200 3.492 2.331 4.134 . 0 0 "[ . 1 . 2]" 1
893 1 44 VAL MG1 1 104 GLN HG3 . . 6.200 2.832 2.281 4.564 . 0 0 "[ . 1 . 2]" 1
894 1 44 VAL MG1 1 107 VAL MG1 . . 8.500 2.058 1.865 2.337 . 0 0 "[ . 1 . 2]" 1
895 1 44 VAL MG1 1 107 VAL MG2 . . 8.500 2.780 2.424 3.089 . 0 0 "[ . 1 . 2]" 1
896 1 44 VAL MG2 1 104 GLN HA . . 7.300 4.266 3.903 4.583 . 0 0 "[ . 1 . 2]" 1
897 1 44 VAL MG2 1 104 GLN HG2 . . 6.200 4.611 3.514 5.174 . 0 0 "[ . 1 . 2]" 1
898 1 44 VAL MG2 1 104 GLN HG3 . . 6.200 4.258 3.459 5.168 . 0 0 "[ . 1 . 2]" 1
899 1 44 VAL MG2 1 107 VAL MG1 . . 8.500 2.021 1.887 2.200 . 0 0 "[ . 1 . 2]" 1
900 1 44 VAL MG2 1 107 VAL MG2 . . 8.500 3.836 3.526 4.089 . 0 0 "[ . 1 . 2]" 1
901 1 45 LYS H 1 45 LYS QE . . 7.000 5.655 4.329 6.131 . 0 0 "[ . 1 . 2]" 1
902 1 45 LYS H 1 45 LYS HG2 . . 4.900 4.527 4.436 4.628 . 0 0 "[ . 1 . 2]" 1
903 1 45 LYS H 1 45 LYS QG . . 4.670 3.969 3.904 4.044 . 0 0 "[ . 1 . 2]" 1
904 1 45 LYS H 1 45 LYS HG3 . . 4.900 4.396 4.245 4.585 . 0 0 "[ . 1 . 2]" 1
905 1 45 LYS H 1 46 ASP H . . 4.100 2.720 2.588 2.883 . 0 0 "[ . 1 . 2]" 1
906 1 45 LYS H 1 46 ASP QB . . 7.500 4.528 4.211 4.794 . 0 0 "[ . 1 . 2]" 1
907 1 45 LYS H 1 47 VAL H . . 6.300 4.448 4.329 4.617 . 0 0 "[ . 1 . 2]" 1
908 1 45 LYS H 1 48 PHE H . . 6.500 4.691 4.528 4.811 . 0 0 "[ . 1 . 2]" 1
909 1 45 LYS HA 1 48 PHE H . . 5.400 3.505 3.312 3.736 . 0 0 "[ . 1 . 2]" 1
910 1 45 LYS HA 1 48 PHE HA . . 5.300 5.188 4.981 5.341 0.041 4 0 "[ . 1 . 2]" 1
911 1 45 LYS HA 1 48 PHE HB2 . . 5.100 3.101 2.382 3.569 . 0 0 "[ . 1 . 2]" 1
912 1 45 LYS HA 1 48 PHE QB . . 4.730 2.376 2.147 2.802 . 0 0 "[ . 1 . 2]" 1
913 1 45 LYS HA 1 48 PHE HB3 . . 5.100 2.957 2.177 4.352 . 0 0 "[ . 1 . 2]" 1
914 1 45 LYS HA 1 49 ARG H . . 5.700 4.244 3.863 4.659 . 0 0 "[ . 1 . 2]" 1
915 1 45 LYS HA 1 49 ARG QD . . 7.500 5.601 4.678 6.469 . 0 0 "[ . 1 . 2]" 1
916 1 45 LYS HA 1 49 ARG QG . . 7.280 4.501 4.139 5.424 . 0 0 "[ . 1 . 2]" 1
917 1 45 LYS QB 1 46 ASP H . . 4.030 2.620 2.456 3.052 . 0 0 "[ . 1 . 2]" 1
918 1 45 LYS QB 1 48 PHE H . . 6.580 5.065 4.877 5.252 . 0 0 "[ . 1 . 2]" 1
919 1 45 LYS HB2 1 46 ASP H . . 4.500 3.854 3.517 4.122 . 0 0 "[ . 1 . 2]" 1
920 1 45 LYS HB3 1 46 ASP H . . 4.500 2.669 2.484 3.165 . 0 0 "[ . 1 . 2]" 1
921 1 45 LYS QD 1 48 PHE QB . . 8.380 5.107 3.572 5.648 . 0 0 "[ . 1 . 2]" 1
922 1 45 LYS QD 1 100 ALA MB . . 8.300 4.436 2.680 5.992 . 0 0 "[ . 1 . 2]" 1
923 1 45 LYS QE 1 49 ARG QD . . 8.500 4.373 2.870 5.976 . 0 0 "[ . 1 . 2]" 1
924 1 45 LYS QE 1 100 ALA MB . . 8.000 3.888 2.231 5.704 . 0 0 "[ . 1 . 2]" 1
925 1 45 LYS QG 1 46 ASP HA . . 7.380 4.194 3.671 4.654 . 0 0 "[ . 1 . 2]" 1
926 1 45 LYS QG 1 49 ARG QD . . 8.380 3.634 2.666 4.392 . 0 0 "[ . 1 . 2]" 1
927 1 45 LYS QG 1 49 ARG QG . . 6.570 3.329 2.929 3.952 . 0 0 "[ . 1 . 2]" 1
928 1 45 LYS QG 1 100 ALA MB . . 6.460 3.318 2.611 4.334 . 0 0 "[ . 1 . 2]" 1
929 1 45 LYS HG2 1 48 PHE H . . 6.500 5.688 5.132 6.557 0.057 3 0 "[ . 1 . 2]" 1
930 1 45 LYS HG2 1 49 ARG HG2 . . 8.250 4.837 4.079 6.135 . 0 0 "[ . 1 . 2]" 1
931 1 45 LYS HG2 1 49 ARG HG3 . . 8.250 3.688 3.038 4.791 . 0 0 "[ . 1 . 2]" 1
932 1 45 LYS HG2 1 100 ALA MB . . 7.000 4.429 2.694 5.836 . 0 0 "[ . 1 . 2]" 1
933 1 45 LYS HG3 1 48 PHE H . . 6.500 5.732 5.091 6.546 0.046 8 0 "[ . 1 . 2]" 1
934 1 45 LYS HG3 1 49 ARG HG2 . . 8.250 5.541 4.692 7.349 . 0 0 "[ . 1 . 2]" 1
935 1 45 LYS HG3 1 49 ARG HG3 . . 8.250 4.483 3.621 5.583 . 0 0 "[ . 1 . 2]" 1
936 1 45 LYS HG3 1 100 ALA MB . . 7.000 3.498 2.695 4.876 . 0 0 "[ . 1 . 2]" 1
937 1 46 ASP H 1 47 VAL H . . 3.600 2.930 2.811 3.049 . 0 0 "[ . 1 . 2]" 1
938 1 46 ASP H 1 47 VAL QG . . 6.860 3.945 3.701 4.082 . 0 0 "[ . 1 . 2]" 1
939 1 46 ASP H 1 48 PHE H . . 5.400 4.242 4.077 4.378 . 0 0 "[ . 1 . 2]" 1
940 1 46 ASP H 1 49 ARG H . . 6.500 4.834 4.640 5.061 . 0 0 "[ . 1 . 2]" 1
941 1 46 ASP HA 1 48 PHE H . . 6.500 4.604 4.433 4.803 . 0 0 "[ . 1 . 2]" 1
942 1 46 ASP HA 1 49 ARG H . . 4.900 3.452 3.233 3.703 . 0 0 "[ . 1 . 2]" 1
943 1 46 ASP HA 1 49 ARG QD . . 6.700 3.308 1.989 4.586 . 0 0 "[ . 1 . 2]" 1
944 1 46 ASP HA 1 49 ARG HG2 . . 6.500 5.009 4.204 5.882 . 0 0 "[ . 1 . 2]" 1
945 1 46 ASP HA 1 49 ARG QG . . 6.190 3.476 2.509 4.667 . 0 0 "[ . 1 . 2]" 1
946 1 46 ASP HA 1 49 ARG HG3 . . 6.500 3.560 2.528 4.895 . 0 0 "[ . 1 . 2]" 1
947 1 46 ASP HA 1 50 PHE H . . 6.400 4.601 4.082 5.470 . 0 0 "[ . 1 . 2]" 1
948 1 46 ASP QB 1 49 ARG H . . 6.400 4.942 4.735 5.128 . 0 0 "[ . 1 . 2]" 1
949 1 46 ASP QB 1 49 ARG QD . . 7.600 4.898 3.797 6.035 . 0 0 "[ . 1 . 2]" 1
950 1 47 VAL H 1 47 VAL QG . . 3.920 2.074 2.006 2.163 . 0 0 "[ . 1 . 2]" 1
951 1 47 VAL H 1 48 PHE H . . 3.900 2.887 2.786 3.103 . 0 0 "[ . 1 . 2]" 1
952 1 47 VAL H 1 48 PHE QB . . 7.380 4.619 4.264 5.027 . 0 0 "[ . 1 . 2]" 1
953 1 47 VAL HA 1 49 ARG H . . 6.500 4.297 3.985 4.695 . 0 0 "[ . 1 . 2]" 1
954 1 47 VAL HA 1 50 PHE H . . 5.400 3.161 2.990 3.545 . 0 0 "[ . 1 . 2]" 1
955 1 47 VAL HA 1 50 PHE QB . . 6.000 2.605 2.130 3.196 . 0 0 "[ . 1 . 2]" 1
956 1 47 VAL HA 1 51 ILE H . . 6.500 4.245 3.825 5.167 . 0 0 "[ . 1 . 2]" 1
957 1 47 VAL HA 1 51 ILE MD . . 7.300 4.024 2.867 4.838 . 0 0 "[ . 1 . 2]" 1
958 1 47 VAL HB 1 48 PHE H . . 4.100 3.908 3.750 4.069 . 0 0 "[ . 1 . 2]" 1
959 1 47 VAL HB 1 48 PHE HA . . 5.700 4.881 4.582 5.170 . 0 0 "[ . 1 . 2]" 1
960 1 47 VAL HB 1 49 ARG H . . 6.400 5.789 5.559 6.088 . 0 0 "[ . 1 . 2]" 1
961 1 47 VAL HB 1 51 ILE MD . . 7.400 3.342 2.534 4.276 . 0 0 "[ . 1 . 2]" 1
962 1 47 VAL QG 1 48 PHE H . . 6.260 2.252 2.110 2.447 . 0 0 "[ . 1 . 2]" 1
963 1 47 VAL QG 1 48 PHE HA . . 8.760 3.358 3.127 3.572 . 0 0 "[ . 1 . 2]" 1
964 1 47 VAL QG 1 48 PHE QB . . 9.940 3.566 3.259 4.073 . 0 0 "[ . 1 . 2]" 1
965 1 47 VAL QG 1 50 PHE H . . 7.460 4.436 4.340 4.573 . 0 0 "[ . 1 . 2]" 1
966 1 47 VAL QG 1 50 PHE QB . . 9.160 3.864 3.590 4.218 . 0 0 "[ . 1 . 2]" 1
967 1 47 VAL QG 1 51 ILE H . . 7.560 4.561 4.200 4.956 . 0 0 "[ . 1 . 2]" 1
968 1 47 VAL QG 1 51 ILE MD . . 7.360 3.387 2.458 4.385 . 0 0 "[ . 1 . 2]" 1
969 1 47 VAL MG1 1 51 ILE MD . . 8.500 4.429 3.603 4.986 . 0 0 "[ . 1 . 2]" 1
970 1 47 VAL MG2 1 51 ILE MD . . 8.500 3.565 2.484 5.009 . 0 0 "[ . 1 . 2]" 1
971 1 48 PHE H 1 48 PHE HB2 . . 3.900 2.645 2.385 2.909 . 0 0 "[ . 1 . 2]" 1
972 1 48 PHE H 1 48 PHE HB3 . . 3.900 2.804 2.226 3.655 . 0 0 "[ . 1 . 2]" 1
973 1 48 PHE H 1 49 ARG H . . 4.300 3.009 2.844 3.128 . 0 0 "[ . 1 . 2]" 1
974 1 48 PHE H 1 50 PHE H . . 6.300 4.251 4.156 4.380 . 0 0 "[ . 1 . 2]" 1
975 1 48 PHE HA 1 59 LEU QD . . 9.070 3.677 2.830 4.448 . 0 0 "[ . 1 . 2]" 1
976 1 48 PHE HA 1 100 ALA MB . . 6.700 5.555 5.412 5.620 . 0 0 "[ . 1 . 2]" 1
977 1 48 PHE QB 1 49 ARG HA . . 6.680 4.311 3.757 4.688 . 0 0 "[ . 1 . 2]" 1
978 1 48 PHE QB 1 49 ARG QG . . 8.250 3.693 3.287 4.252 . 0 0 "[ . 1 . 2]" 1
979 1 48 PHE QB 1 50 PHE H . . 6.880 4.750 4.476 4.956 . 0 0 "[ . 1 . 2]" 1
980 1 48 PHE QB 1 100 ALA HA . . 7.380 3.956 3.384 4.564 . 0 0 "[ . 1 . 2]" 1
981 1 48 PHE QB 1 100 ALA MB . . 7.880 3.479 2.984 3.926 . 0 0 "[ . 1 . 2]" 1
982 1 48 PHE HB2 1 49 ARG H . . 4.400 3.642 2.709 4.243 . 0 0 "[ . 1 . 2]" 1
983 1 48 PHE HB3 1 49 ARG H . . 4.400 3.085 2.297 3.945 . 0 0 "[ . 1 . 2]" 1
984 1 49 ARG H 1 49 ARG QD . . 5.800 3.929 3.041 4.451 . 0 0 "[ . 1 . 2]" 1
985 1 49 ARG H 1 49 ARG HG2 . . 4.100 3.519 2.894 4.107 0.007 20 0 "[ . 1 . 2]" 1
986 1 49 ARG H 1 49 ARG QG . . 3.900 2.405 2.079 3.197 . 0 0 "[ . 1 . 2]" 1
987 1 49 ARG H 1 49 ARG HG3 . . 4.100 2.455 2.112 3.334 . 0 0 "[ . 1 . 2]" 1
988 1 49 ARG H 1 50 PHE H . . 4.100 2.720 2.514 2.937 . 0 0 "[ . 1 . 2]" 1
989 1 49 ARG H 1 51 ILE H . . 6.400 4.135 3.978 4.546 . 0 0 "[ . 1 . 2]" 1
990 1 49 ARG HA 1 51 ILE H . . 6.500 4.253 3.841 4.610 . 0 0 "[ . 1 . 2]" 1
991 1 49 ARG HA 1 51 ILE HB . . 6.200 5.465 5.058 6.236 0.036 4 0 "[ . 1 . 2]" 1
992 1 49 ARG HA 1 52 ASP QB . . 5.700 3.113 2.136 4.523 . 0 0 "[ . 1 . 2]" 1
993 1 49 ARG HA 1 55 GLN HA . . 5.400 4.870 3.710 5.389 . 0 0 "[ . 1 . 2]" 1
994 1 49 ARG QB 1 50 PHE HA . . 7.300 3.990 3.892 4.151 . 0 0 "[ . 1 . 2]" 1
995 1 49 ARG QG 1 50 PHE H . . 6.240 4.260 3.997 4.636 . 0 0 "[ . 1 . 2]" 1
996 1 49 ARG HG2 1 50 PHE H . . 6.400 5.105 4.882 5.287 . 0 0 "[ . 1 . 2]" 1
997 1 49 ARG HG3 1 50 PHE H . . 6.400 4.575 4.199 5.259 . 0 0 "[ . 1 . 2]" 1
998 1 50 PHE H 1 51 ILE H . . 4.300 2.567 2.325 2.786 . 0 0 "[ . 1 . 2]" 1
999 1 50 PHE H 1 51 ILE HB . . 5.000 4.915 4.402 5.027 0.027 17 0 "[ . 1 . 2]" 1
1000 1 50 PHE H 1 51 ILE MD . . 6.700 4.221 3.310 5.056 . 0 0 "[ . 1 . 2]" 1
1001 1 50 PHE HA 1 51 ILE HB . . 6.500 5.962 5.803 6.086 . 0 0 "[ . 1 . 2]" 1
1002 1 50 PHE QB 1 51 ILE HA . . 6.000 4.070 3.736 4.524 . 0 0 "[ . 1 . 2]" 1
1003 1 50 PHE QB 1 51 ILE HB . . 6.600 4.850 4.378 5.226 . 0 0 "[ . 1 . 2]" 1
1004 1 50 PHE QB 1 51 ILE MD . . 7.600 2.704 2.178 3.121 . 0 0 "[ . 1 . 2]" 1
1005 1 50 PHE QB 1 70 LYS QB . . 8.500 4.405 3.596 5.936 . 0 0 "[ . 1 . 2]" 1
1006 1 50 PHE QB 1 70 LYS QG . . 8.380 4.618 3.307 6.511 . 0 0 "[ . 1 . 2]" 1
1007 1 51 ILE H 1 51 ILE MD . . 3.900 2.672 2.160 3.263 . 0 0 "[ . 1 . 2]" 1
1008 1 51 ILE H 1 51 ILE MG . . 4.800 3.810 3.715 3.932 . 0 0 "[ . 1 . 2]" 1
1009 1 51 ILE H 1 52 ASP QB . . 6.400 4.554 4.031 4.863 . 0 0 "[ . 1 . 2]" 1
1010 1 51 ILE H 1 53 ASN H . . 6.500 5.293 4.417 5.629 . 0 0 "[ . 1 . 2]" 1
1011 1 51 ILE H 1 59 LEU QD . . 9.070 4.557 4.085 4.903 . 0 0 "[ . 1 . 2]" 1
1012 1 51 ILE H 1 70 LYS QG . . 7.380 5.171 3.743 6.616 . 0 0 "[ . 1 . 2]" 1
1013 1 51 ILE HA 1 51 ILE MD . . 4.000 2.563 2.129 3.527 . 0 0 "[ . 1 . 2]" 1
1014 1 51 ILE HA 1 53 ASN H . . 6.500 4.009 3.650 4.279 . 0 0 "[ . 1 . 2]" 1
1015 1 51 ILE HA 1 53 ASN QB . . 7.380 4.536 4.027 5.133 . 0 0 "[ . 1 . 2]" 1
1016 1 51 ILE HA 1 59 LEU QD . . 9.070 4.392 4.044 5.069 . 0 0 "[ . 1 . 2]" 1
1017 1 51 ILE HA 1 67 PHE HA . . 5.400 4.636 4.102 5.354 . 0 0 "[ . 1 . 2]" 1
1018 1 51 ILE HA 1 70 LYS QB . . 7.500 3.776 2.936 4.574 . 0 0 "[ . 1 . 2]" 1
1019 1 51 ILE HA 1 70 LYS HD2 . . 6.500 3.912 2.140 5.528 . 0 0 "[ . 1 . 2]" 1
1020 1 51 ILE HA 1 70 LYS HD3 . . 6.500 2.827 2.058 3.869 . 0 0 "[ . 1 . 2]" 1
1021 1 51 ILE HA 1 70 LYS HE2 . . 6.300 4.640 2.624 6.319 0.019 17 0 "[ . 1 . 2]" 1
1022 1 51 ILE HA 1 70 LYS QE . . 6.090 3.989 2.595 5.361 . 0 0 "[ . 1 . 2]" 1
1023 1 51 ILE HA 1 70 LYS HE3 . . 6.300 4.571 2.760 6.041 . 0 0 "[ . 1 . 2]" 1
1024 1 51 ILE HA 1 70 LYS HG2 . . 5.600 3.689 2.285 5.039 . 0 0 "[ . 1 . 2]" 1
1025 1 51 ILE HA 1 70 LYS QG . . 5.240 3.105 2.159 4.072 . 0 0 "[ . 1 . 2]" 1
1026 1 51 ILE HA 1 70 LYS HG3 . . 5.600 3.994 2.199 5.314 . 0 0 "[ . 1 . 2]" 1
1027 1 51 ILE HB 1 52 ASP HA . . 5.600 4.576 4.129 5.349 . 0 0 "[ . 1 . 2]" 1
1028 1 51 ILE MD 1 59 LEU QD . . 10.070 4.396 3.384 5.144 . 0 0 "[ . 1 . 2]" 1
1029 1 51 ILE MD 1 67 PHE HA . . 6.800 4.216 2.947 5.172 . 0 0 "[ . 1 . 2]" 1
1030 1 51 ILE MD 1 70 LYS HA . . 7.500 5.569 4.641 6.578 . 0 0 "[ . 1 . 2]" 1
1031 1 51 ILE MD 1 70 LYS QB . . 8.500 3.196 2.163 4.107 . 0 0 "[ . 1 . 2]" 1
1032 1 51 ILE MD 1 70 LYS QG . . 6.580 3.412 2.077 4.356 . 0 0 "[ . 1 . 2]" 1
1033 1 51 ILE QG 1 59 LEU QD . . 9.470 3.887 3.064 4.936 . 0 0 "[ . 1 . 2]" 1
1034 1 51 ILE QG 1 67 PHE HA . . 7.500 4.315 2.364 5.622 . 0 0 "[ . 1 . 2]" 1
1035 1 51 ILE QG 1 70 LYS QB . . 7.500 4.233 2.046 5.964 . 0 0 "[ . 1 . 2]" 1
1036 1 51 ILE QG 1 70 LYS QG . . 8.380 4.333 2.182 5.776 . 0 0 "[ . 1 . 2]" 1
1037 1 51 ILE MG 1 52 ASP HA . . 7.500 3.534 3.049 4.258 . 0 0 "[ . 1 . 2]" 1
1038 1 51 ILE MG 1 59 LEU HA . . 7.500 4.984 3.975 6.148 . 0 0 "[ . 1 . 2]" 1
1039 1 51 ILE MG 1 59 LEU MD1 . . 7.700 2.419 1.863 4.992 . 0 0 "[ . 1 . 2]" 1
1040 1 51 ILE MG 1 59 LEU QD . . 6.810 2.125 1.740 2.957 . 0 0 "[ . 1 . 2]" 1
1041 1 51 ILE MG 1 59 LEU MD2 . . 7.700 3.170 1.974 4.220 . 0 0 "[ . 1 . 2]" 1
1042 1 51 ILE MG 1 67 PHE HA . . 7.500 2.415 2.029 3.215 . 0 0 "[ . 1 . 2]" 1
1043 1 51 ILE MG 1 67 PHE QB . . 8.380 3.299 2.674 3.933 . 0 0 "[ . 1 . 2]" 1
1044 1 51 ILE MG 1 70 LYS H . . 7.500 4.915 3.711 5.910 . 0 0 "[ . 1 . 2]" 1
1045 1 51 ILE MG 1 70 LYS QD . . 8.380 3.143 2.274 4.543 . 0 0 "[ . 1 . 2]" 1
1046 1 52 ASP HA 1 54 ASP H . . 6.500 4.102 3.211 6.153 . 0 0 "[ . 1 . 2]" 1
1047 1 52 ASP HA 1 55 GLN H . . 6.500 4.100 3.455 4.853 . 0 0 "[ . 1 . 2]" 1
1048 1 52 ASP HA 1 59 LEU HA . . 5.200 4.346 3.294 5.120 . 0 0 "[ . 1 . 2]" 1
1049 1 52 ASP HA 1 59 LEU MD1 . . 7.500 3.309 2.036 4.887 . 0 0 "[ . 1 . 2]" 1
1050 1 52 ASP HA 1 59 LEU QD . . 6.430 2.719 1.940 3.504 . 0 0 "[ . 1 . 2]" 1
1051 1 52 ASP HA 1 59 LEU MD2 . . 7.500 3.309 1.967 4.604 . 0 0 "[ . 1 . 2]" 1
1052 1 52 ASP QB 1 55 GLN H . . 7.500 3.350 2.116 4.107 . 0 0 "[ . 1 . 2]" 1
1053 1 52 ASP QB 1 55 GLN HA . . 5.900 3.004 2.134 3.531 . 0 0 "[ . 1 . 2]" 1
1054 1 52 ASP QB 1 59 LEU MD1 . . 8.500 3.177 2.166 4.429 . 0 0 "[ . 1 . 2]" 1
1055 1 52 ASP QB 1 59 LEU QD . . 7.810 2.356 1.950 3.321 . 0 0 "[ . 1 . 2]" 1
1056 1 52 ASP QB 1 59 LEU MD2 . . 8.500 2.686 2.028 4.596 . 0 0 "[ . 1 . 2]" 1
1057 1 53 ASN H 1 54 ASP H . . 4.700 3.256 2.616 4.708 0.008 18 0 "[ . 1 . 2]" 1
1058 1 53 ASN H 1 54 ASP HA . . 6.500 5.614 5.131 6.429 . 0 0 "[ . 1 . 2]" 1
1059 1 53 ASN H 1 54 ASP QB . . 7.500 5.071 4.630 5.885 . 0 0 "[ . 1 . 2]" 1
1060 1 53 ASN H 1 55 GLN H . . 5.500 3.950 2.875 4.497 . 0 0 "[ . 1 . 2]" 1
1061 1 53 ASN H 1 55 GLN HA . . 6.500 5.375 4.031 5.891 . 0 0 "[ . 1 . 2]" 1
1062 1 53 ASN H 1 55 GLN QB . . 7.500 6.022 4.529 6.720 . 0 0 "[ . 1 . 2]" 1
1063 1 53 ASN H 1 59 LEU HA . . 7.500 6.631 5.931 7.485 . 0 0 "[ . 1 . 2]" 1
1064 1 53 ASN H 1 59 LEU MD1 . . 7.500 5.054 3.652 6.275 . 0 0 "[ . 1 . 2]" 1
1065 1 53 ASN H 1 59 LEU QD . . 6.840 4.370 3.544 5.065 . 0 0 "[ . 1 . 2]" 1
1066 1 53 ASN H 1 59 LEU MD2 . . 7.500 5.185 4.082 6.422 . 0 0 "[ . 1 . 2]" 1
1067 1 53 ASN H 1 70 LYS QD . . 7.380 4.293 3.138 5.950 . 0 0 "[ . 1 . 2]" 1
1068 1 53 ASN H 1 70 LYS QE . . 7.180 4.248 3.029 5.951 . 0 0 "[ . 1 . 2]" 1
1069 1 53 ASN H 1 70 LYS QG . . 7.380 5.286 4.445 6.128 . 0 0 "[ . 1 . 2]" 1
1070 1 53 ASN HA 1 55 GLN H . . 5.700 4.026 3.546 4.569 . 0 0 "[ . 1 . 2]" 1
1071 1 53 ASN HA 1 70 LYS QE . . 7.380 4.301 2.597 5.391 . 0 0 "[ . 1 . 2]" 1
1072 1 53 ASN QB 1 54 ASP HA . . 5.380 4.368 4.041 4.819 . 0 0 "[ . 1 . 2]" 1
1073 1 53 ASN QB 1 55 GLN H . . 6.290 4.537 4.346 4.876 . 0 0 "[ . 1 . 2]" 1
1074 1 53 ASN QB 1 70 LYS QE . . 7.350 2.688 2.076 3.993 . 0 0 "[ . 1 . 2]" 1
1075 1 53 ASN HB2 1 54 ASP H . . 4.900 3.929 3.625 4.267 . 0 0 "[ . 1 . 2]" 1
1076 1 53 ASN HB2 1 55 GLN H . . 6.500 5.499 5.060 5.833 . 0 0 "[ . 1 . 2]" 1
1077 1 53 ASN HB3 1 54 ASP H . . 4.900 2.739 2.275 3.458 . 0 0 "[ . 1 . 2]" 1
1078 1 53 ASN HB3 1 55 GLN H . . 6.500 4.836 4.586 5.227 . 0 0 "[ . 1 . 2]" 1
1079 1 54 ASP H 1 55 GLN H . . 4.100 2.673 2.309 3.487 . 0 0 "[ . 1 . 2]" 1
1080 1 54 ASP H 1 55 GLN HA . . 5.500 4.808 4.423 5.507 0.007 5 0 "[ . 1 . 2]" 1
1081 1 54 ASP H 1 56 SER H . . 6.300 4.555 3.817 5.589 . 0 0 "[ . 1 . 2]" 1
1082 1 54 ASP HA 1 55 GLN HA . . 5.300 5.300 5.222 5.327 0.027 18 0 "[ . 1 . 2]" 1
1083 1 54 ASP HA 1 55 GLN QG . . 6.200 5.016 4.411 5.603 . 0 0 "[ . 1 . 2]" 1
1084 1 55 GLN H 1 55 GLN QG . . 5.100 3.338 2.809 4.230 . 0 0 "[ . 1 . 2]" 1
1085 1 55 GLN H 1 56 SER H . . 4.400 2.710 2.081 3.152 . 0 0 "[ . 1 . 2]" 1
1086 1 55 GLN H 1 57 GLY H . . 6.500 4.414 3.164 5.229 . 0 0 "[ . 1 . 2]" 1
1087 1 55 GLN HA 1 55 GLN QG . . 3.700 2.555 2.117 3.352 . 0 0 "[ . 1 . 2]" 1
1088 1 55 GLN HA 1 57 GLY H . . 6.500 3.366 2.664 4.368 . 0 0 "[ . 1 . 2]" 1
1089 1 55 GLN QG 1 56 SER H . . 7.500 4.177 3.353 4.811 . 0 0 "[ . 1 . 2]" 1
1090 1 56 SER H 1 57 GLY H . . 4.900 2.523 1.980 3.023 . 0 0 "[ . 1 . 2]" 1
1091 1 56 SER H 1 58 TYR H . . 6.400 3.907 3.167 4.499 . 0 0 "[ . 1 . 2]" 1
1092 1 56 SER QB 1 58 TYR H . . 6.700 3.340 2.767 4.331 . 0 0 "[ . 1 . 2]" 1
1093 1 57 GLY H 1 58 TYR H . . 4.200 2.329 1.928 2.754 . 0 0 "[ . 1 . 2]" 1
1094 1 57 GLY H 1 58 TYR HA . . 6.500 4.841 4.488 5.243 . 0 0 "[ . 1 . 2]" 1
1095 1 57 GLY HA2 1 58 TYR HA . . 6.500 4.564 4.304 4.790 . 0 0 "[ . 1 . 2]" 1
1096 1 57 GLY HA3 1 58 TYR HA . . 6.500 4.705 4.536 4.943 . 0 0 "[ . 1 . 2]" 1
1097 1 58 TYR H 1 59 LEU H . . 6.500 4.245 3.930 4.532 . 0 0 "[ . 1 . 2]" 1
1098 1 58 TYR H 1 59 LEU QD . . 9.070 4.182 3.123 5.828 . 0 0 "[ . 1 . 2]" 1
1099 1 58 TYR HA 1 59 LEU QB . . 7.500 4.169 3.846 4.363 . 0 0 "[ . 1 . 2]" 1
1100 1 58 TYR HA 1 59 LEU MD1 . . 7.500 5.210 3.129 6.083 . 0 0 "[ . 1 . 2]" 1
1101 1 58 TYR HA 1 59 LEU MD2 . . 7.500 4.182 3.143 5.950 . 0 0 "[ . 1 . 2]" 1
1102 1 58 TYR HA 1 59 LEU HG . . 6.100 5.567 4.478 6.142 0.042 8 0 "[ . 1 . 2]" 1
1103 1 58 TYR HA 1 60 ASP H . . 4.500 4.544 4.511 4.591 0.091 6 0 "[ . 1 . 2]" 1
1104 1 58 TYR HA 1 97 LYS QB . . 7.500 4.956 4.223 5.688 . 0 0 "[ . 1 . 2]" 1
1105 1 58 TYR HA 1 98 ILE H . . 5.400 4.701 3.698 5.171 . 0 0 "[ . 1 . 2]" 1
1106 1 58 TYR HA 1 99 GLY H . . 5.800 4.850 4.613 5.175 . 0 0 "[ . 1 . 2]" 1
1107 1 58 TYR HA 1 99 GLY HA2 . . 4.700 2.599 2.115 3.119 . 0 0 "[ . 1 . 2]" 1
1108 1 58 TYR HA 1 99 GLY QA . . 4.470 2.572 2.093 3.075 . 0 0 "[ . 1 . 2]" 1
1109 1 58 TYR HA 1 99 GLY HA3 . . 4.700 4.172 3.338 4.680 . 0 0 "[ . 1 . 2]" 1
1110 1 58 TYR QB 1 97 LYS QB . . 7.700 3.321 2.390 4.360 . 0 0 "[ . 1 . 2]" 1
1111 1 58 TYR QB 1 97 LYS QD . . 8.380 4.502 3.065 5.240 . 0 0 "[ . 1 . 2]" 1
1112 1 58 TYR QB 1 97 LYS QG . . 8.280 4.656 3.074 5.795 . 0 0 "[ . 1 . 2]" 1
1113 1 58 TYR QB 1 98 ILE H . . 7.500 4.114 3.266 4.913 . 0 0 "[ . 1 . 2]" 1
1114 1 58 TYR QB 1 99 GLY QA . . 8.380 4.204 3.229 4.828 . 0 0 "[ . 1 . 2]" 1
1115 1 59 LEU H 1 59 LEU MD1 . . 5.300 3.940 2.258 4.421 . 0 0 "[ . 1 . 2]" 1
1116 1 59 LEU H 1 59 LEU MD2 . . 5.300 3.160 2.506 4.391 . 0 0 "[ . 1 . 2]" 1
1117 1 59 LEU H 1 59 LEU HG . . 4.900 3.968 3.104 4.400 . 0 0 "[ . 1 . 2]" 1
1118 1 59 LEU H 1 60 ASP H . . 6.500 3.607 3.303 3.914 . 0 0 "[ . 1 . 2]" 1
1119 1 59 LEU H 1 97 LYS HA . . 6.500 5.049 4.020 5.693 . 0 0 "[ . 1 . 2]" 1
1120 1 59 LEU H 1 97 LYS QB . . 7.500 5.061 4.021 5.601 . 0 0 "[ . 1 . 2]" 1
1121 1 59 LEU H 1 98 ILE H . . 5.100 3.472 2.723 3.945 . 0 0 "[ . 1 . 2]" 1
1122 1 59 LEU H 1 98 ILE HA . . 6.500 4.813 4.625 5.023 . 0 0 "[ . 1 . 2]" 1
1123 1 59 LEU H 1 98 ILE HB . . 6.500 3.658 3.130 4.134 . 0 0 "[ . 1 . 2]" 1
1124 1 59 LEU H 1 98 ILE MG . . 7.500 3.705 3.188 4.434 . 0 0 "[ . 1 . 2]" 1
1125 1 59 LEU H 1 99 GLY H . . 6.000 4.765 4.348 4.964 . 0 0 "[ . 1 . 2]" 1
1126 1 59 LEU HA 1 60 ASP HA . . 5.500 4.547 4.470 4.609 . 0 0 "[ . 1 . 2]" 1
1127 1 59 LEU HA 1 61 GLU H . . 6.500 6.202 6.043 6.351 . 0 0 "[ . 1 . 2]" 1
1128 1 59 LEU HA 1 63 GLU H . . 6.500 4.992 4.305 5.697 . 0 0 "[ . 1 . 2]" 1
1129 1 59 LEU HA 1 98 ILE HB . . 6.500 4.992 4.710 5.336 . 0 0 "[ . 1 . 2]" 1
1130 1 59 LEU HA 1 98 ILE MG . . 7.500 5.256 4.864 6.136 . 0 0 "[ . 1 . 2]" 1
1131 1 59 LEU QB 1 60 ASP H . . 7.500 3.898 3.747 4.022 . 0 0 "[ . 1 . 2]" 1
1132 1 59 LEU QD 1 98 ILE H . . 9.070 4.903 4.296 5.412 . 0 0 "[ . 1 . 2]" 1
1133 1 59 LEU QD 1 98 ILE HB . . 7.030 4.095 3.418 4.749 . 0 0 "[ . 1 . 2]" 1
1134 1 59 LEU QD 1 98 ILE QG . . 10.070 5.340 4.667 5.944 . 0 0 "[ . 1 . 2]" 1
1135 1 59 LEU QD 1 98 ILE MG . . 7.860 3.363 2.547 3.997 . 0 0 "[ . 1 . 2]" 1
1136 1 59 LEU MD1 1 98 ILE HB . . 7.500 4.713 3.856 5.282 . 0 0 "[ . 1 . 2]" 1
1137 1 59 LEU MD1 1 98 ILE MG . . 8.500 4.121 2.855 5.097 . 0 0 "[ . 1 . 2]" 1
1138 1 59 LEU MD2 1 98 ILE HB . . 7.500 4.613 3.667 5.476 . 0 0 "[ . 1 . 2]" 1
1139 1 59 LEU MD2 1 98 ILE MG . . 8.500 3.857 2.864 4.950 . 0 0 "[ . 1 . 2]" 1
1140 1 59 LEU HG 1 98 ILE MG . . 7.200 4.073 3.015 5.980 . 0 0 "[ . 1 . 2]" 1
1141 1 60 ASP H 1 61 GLU H . . 5.300 4.685 4.608 4.754 . 0 0 "[ . 1 . 2]" 1
1142 1 60 ASP H 1 63 GLU H . . 5.100 4.307 3.726 4.770 . 0 0 "[ . 1 . 2]" 1
1143 1 60 ASP HA 1 61 GLU HA . . 6.500 4.270 4.076 4.395 . 0 0 "[ . 1 . 2]" 1
1144 1 60 ASP HA 1 97 LYS HA . . 5.000 2.879 2.511 3.269 . 0 0 "[ . 1 . 2]" 1
1145 1 60 ASP HA 1 97 LYS QB . . 7.500 3.828 3.143 4.420 . 0 0 "[ . 1 . 2]" 1
1146 1 60 ASP HA 1 98 ILE HB . . 6.500 5.153 4.372 6.271 . 0 0 "[ . 1 . 2]" 1
1147 1 60 ASP QB 1 61 GLU HA . . 5.590 4.686 4.548 4.876 . 0 0 "[ . 1 . 2]" 1
1148 1 60 ASP QB 1 97 LYS H . . 7.380 6.583 6.410 6.636 . 0 0 "[ . 1 . 2]" 1
1149 1 60 ASP QB 1 97 LYS QB . . 8.280 4.712 3.837 5.406 . 0 0 "[ . 1 . 2]" 1
1150 1 60 ASP HB2 1 61 GLU H . . 4.200 3.681 3.340 3.980 . 0 0 "[ . 1 . 2]" 1
1151 1 60 ASP HB2 1 61 GLU HA . . 6.000 5.340 5.154 5.482 . 0 0 "[ . 1 . 2]" 1
1152 1 60 ASP HB2 1 97 LYS HA . . 6.500 5.799 5.491 6.139 . 0 0 "[ . 1 . 2]" 1
1153 1 60 ASP HB3 1 61 GLU H . . 4.200 2.846 2.514 3.348 . 0 0 "[ . 1 . 2]" 1
1154 1 60 ASP HB3 1 61 GLU HA . . 6.000 5.199 5.000 5.613 . 0 0 "[ . 1 . 2]" 1
1155 1 60 ASP HB3 1 97 LYS HA . . 6.500 4.810 4.376 5.384 . 0 0 "[ . 1 . 2]" 1
1156 1 61 GLU H 1 61 GLU HG2 . . 4.100 3.745 3.234 4.190 0.090 16 0 "[ . 1 . 2]" 1
1157 1 61 GLU H 1 61 GLU HG3 . . 4.100 3.086 1.991 4.185 0.085 14 0 "[ . 1 . 2]" 1
1158 1 61 GLU H 1 62 GLU H . . 4.200 3.123 2.954 3.282 . 0 0 "[ . 1 . 2]" 1
1159 1 61 GLU H 1 63 GLU H . . 6.500 4.430 4.145 4.936 . 0 0 "[ . 1 . 2]" 1
1160 1 61 GLU HA 1 61 GLU HG2 . . 3.300 2.401 2.103 3.354 0.054 17 0 "[ . 1 . 2]" 1
1161 1 61 GLU HA 1 61 GLU QG . . 3.030 2.227 2.072 2.463 . 0 0 "[ . 1 . 2]" 1
1162 1 61 GLU HA 1 61 GLU HG3 . . 3.300 2.979 2.298 3.346 0.046 19 0 "[ . 1 . 2]" 1
1163 1 61 GLU HA 1 62 GLU QB . . 6.400 5.289 5.187 5.727 . 0 0 "[ . 1 . 2]" 1
1164 1 61 GLU HA 1 63 GLU H . . 5.500 4.306 3.974 4.934 . 0 0 "[ . 1 . 2]" 1
1165 1 61 GLU QG 1 62 GLU H . . 7.380 4.226 4.036 4.407 . 0 0 "[ . 1 . 2]" 1
1166 1 62 GLU H 1 62 GLU QG . . 5.000 3.553 1.794 4.051 . 0 0 "[ . 1 . 2]" 1
1167 1 62 GLU HA 1 62 GLU QG . . 3.400 2.382 2.098 3.075 . 0 0 "[ . 1 . 2]" 1
1168 1 62 GLU HA 1 65 LYS QD . . 5.900 3.829 3.098 4.531 . 0 0 "[ . 1 . 2]" 1
1169 1 62 GLU HA 1 65 LYS QG . . 7.380 4.530 4.161 5.003 . 0 0 "[ . 1 . 2]" 1
1170 1 62 GLU HA 1 83 THR MG . . 6.700 5.174 4.502 5.549 . 0 0 "[ . 1 . 2]" 1
1171 1 62 GLU QB 1 65 LYS QG . . 8.380 5.793 4.974 6.320 . 0 0 "[ . 1 . 2]" 1
1172 1 62 GLU QG 1 63 GLU H . . 6.000 4.242 2.807 4.802 . 0 0 "[ . 1 . 2]" 1
1173 1 62 GLU QG 1 66 PHE H . . 7.500 5.880 4.703 6.717 . 0 0 "[ . 1 . 2]" 1
1174 1 63 GLU H 1 66 PHE H . . 6.500 5.199 4.618 5.397 . 0 0 "[ . 1 . 2]" 1
1175 1 65 LYS HA 1 65 LYS QG . . 3.940 2.311 2.162 2.438 . 0 0 "[ . 1 . 2]" 1
1176 1 65 LYS HA 1 67 PHE H . . 6.500 4.132 3.834 4.583 . 0 0 "[ . 1 . 2]" 1
1177 1 65 LYS HA 1 77 GLU HB2 . . 5.200 3.756 2.264 4.426 . 0 0 "[ . 1 . 2]" 1
1178 1 65 LYS HA 1 77 GLU QB . . 4.980 2.737 2.251 3.615 . 0 0 "[ . 1 . 2]" 1
1179 1 65 LYS HA 1 77 GLU HB3 . . 5.200 2.929 2.279 4.470 . 0 0 "[ . 1 . 2]" 1
1180 1 65 LYS HA 1 78 LEU H . . 5.600 5.232 4.613 5.661 0.061 10 0 "[ . 1 . 2]" 1
1181 1 65 LYS HA 1 78 LEU QD . . 8.770 4.719 3.948 5.257 . 0 0 "[ . 1 . 2]" 1
1182 1 65 LYS HA 1 83 THR MG . . 5.700 3.320 2.453 3.692 . 0 0 "[ . 1 . 2]" 1
1183 1 65 LYS QB 1 66 PHE H . . 5.080 3.260 2.398 3.523 . 0 0 "[ . 1 . 2]" 1
1184 1 65 LYS QB 1 66 PHE QB . . 8.380 4.117 3.678 4.503 . 0 0 "[ . 1 . 2]" 1
1185 1 65 LYS QB 1 77 GLU QB . . 8.250 4.270 3.655 4.427 . 0 0 "[ . 1 . 2]" 1
1186 1 65 LYS QB 1 83 THR MG . . 6.180 3.688 2.501 4.208 . 0 0 "[ . 1 . 2]" 1
1187 1 65 LYS HB2 1 66 PHE H . . 5.300 4.210 3.444 4.381 . 0 0 "[ . 1 . 2]" 1
1188 1 65 LYS HB2 1 67 PHE H . . 6.500 5.944 5.627 6.531 0.031 11 0 "[ . 1 . 2]" 1
1189 1 65 LYS HB3 1 66 PHE H . . 5.300 3.400 2.446 3.768 . 0 0 "[ . 1 . 2]" 1
1190 1 65 LYS HB3 1 67 PHE H . . 6.500 5.492 5.027 6.092 . 0 0 "[ . 1 . 2]" 1
1191 1 65 LYS QD 1 83 THR HB . . 7.500 6.018 3.997 6.698 . 0 0 "[ . 1 . 2]" 1
1192 1 65 LYS QE 1 66 PHE QB . . 7.080 5.071 4.545 5.629 . 0 0 "[ . 1 . 2]" 1
1193 1 65 LYS QG 1 77 GLU QB . . 6.870 3.559 2.644 3.915 . 0 0 "[ . 1 . 2]" 1
1194 1 65 LYS QG 1 83 THR MG . . 6.680 3.994 2.729 4.613 . 0 0 "[ . 1 . 2]" 1
1195 1 65 LYS HG2 1 66 PHE H . . 6.500 4.748 4.331 5.034 . 0 0 "[ . 1 . 2]" 1
1196 1 65 LYS HG2 1 77 GLU HB2 . . 7.950 4.405 2.701 5.164 . 0 0 "[ . 1 . 2]" 1
1197 1 65 LYS HG2 1 77 GLU HB3 . . 7.950 4.638 4.215 5.629 . 0 0 "[ . 1 . 2]" 1
1198 1 65 LYS HG2 1 78 LEU H . . 6.300 5.257 3.931 5.960 . 0 0 "[ . 1 . 2]" 1
1199 1 65 LYS HG3 1 66 PHE H . . 6.500 5.241 4.961 5.463 . 0 0 "[ . 1 . 2]" 1
1200 1 65 LYS HG3 1 77 GLU HB2 . . 7.950 4.730 4.124 5.414 . 0 0 "[ . 1 . 2]" 1
1201 1 65 LYS HG3 1 77 GLU HB3 . . 7.950 4.626 4.011 5.706 . 0 0 "[ . 1 . 2]" 1
1202 1 65 LYS HG3 1 78 LEU H . . 6.300 5.215 4.456 5.816 . 0 0 "[ . 1 . 2]" 1
1203 1 66 PHE H 1 67 PHE H . . 4.100 2.523 2.144 3.607 . 0 0 "[ . 1 . 2]" 1
1204 1 66 PHE H 1 67 PHE HA . . 6.500 4.247 4.038 5.151 . 0 0 "[ . 1 . 2]" 1
1205 1 66 PHE H 1 68 LEU H . . 6.200 5.480 4.889 6.206 0.006 10 0 "[ . 1 . 2]" 1
1206 1 66 PHE HA 1 68 LEU H . . 6.500 4.576 3.948 4.968 . 0 0 "[ . 1 . 2]" 1
1207 1 66 PHE HA 1 69 GLN H . . 6.500 3.369 2.963 3.819 . 0 0 "[ . 1 . 2]" 1
1208 1 66 PHE HA 1 69 GLN QB . . 5.900 2.641 2.078 3.794 . 0 0 "[ . 1 . 2]" 1
1209 1 66 PHE HA 1 69 GLN HE21 . . 6.500 4.684 3.770 5.427 . 0 0 "[ . 1 . 2]" 1
1210 1 66 PHE HA 1 69 GLN HE22 . . 6.500 5.442 3.641 6.533 0.033 10 0 "[ . 1 . 2]" 1
1211 1 66 PHE HA 1 69 GLN QG . . 7.500 2.885 2.011 4.435 . 0 0 "[ . 1 . 2]" 1
1212 1 66 PHE HA 1 77 GLU HA . . 5.900 5.320 4.529 5.961 0.061 11 0 "[ . 1 . 2]" 1
1213 1 66 PHE HA 1 77 GLU QG . . 6.880 2.754 2.118 3.890 . 0 0 "[ . 1 . 2]" 1
1214 1 66 PHE HA 1 78 LEU H . . 5.700 5.690 5.257 5.752 0.052 5 0 "[ . 1 . 2]" 1
1215 1 66 PHE QB 1 68 LEU H . . 7.500 5.719 5.469 6.183 . 0 0 "[ . 1 . 2]" 1
1216 1 66 PHE QB 1 69 GLN H . . 7.500 4.365 3.813 5.399 . 0 0 "[ . 1 . 2]" 1
1217 1 66 PHE QB 1 69 GLN QB . . 8.500 2.771 2.151 4.398 . 0 0 "[ . 1 . 2]" 1
1218 1 66 PHE QB 1 69 GLN QE . . 8.370 5.364 3.579 6.279 . 0 0 "[ . 1 . 2]" 1
1219 1 66 PHE QB 1 70 LYS QE . . 8.380 4.220 2.394 5.471 . 0 0 "[ . 1 . 2]" 1
1220 1 66 PHE QB 1 77 GLU QG . . 8.380 4.390 3.770 5.562 . 0 0 "[ . 1 . 2]" 1
1221 1 67 PHE H 1 67 PHE HB2 . . 3.900 2.683 2.274 3.360 . 0 0 "[ . 1 . 2]" 1
1222 1 67 PHE H 1 67 PHE QB . . 3.700 2.187 2.142 2.340 . 0 0 "[ . 1 . 2]" 1
1223 1 67 PHE H 1 67 PHE HB3 . . 3.900 2.360 2.193 2.811 . 0 0 "[ . 1 . 2]" 1
1224 1 67 PHE H 1 68 LEU H . . 4.900 3.020 2.036 3.472 . 0 0 "[ . 1 . 2]" 1
1225 1 67 PHE H 1 69 GLN H . . 4.700 3.691 2.917 4.204 . 0 0 "[ . 1 . 2]" 1
1226 1 67 PHE H 1 70 LYS QD . . 7.380 5.517 4.512 6.608 . 0 0 "[ . 1 . 2]" 1
1227 1 67 PHE H 1 78 LEU QD . . 8.070 5.773 5.365 6.076 . 0 0 "[ . 1 . 2]" 1
1228 1 67 PHE H 1 83 THR MG . . 7.500 5.586 5.109 6.440 . 0 0 "[ . 1 . 2]" 1
1229 1 67 PHE HA 1 70 LYS QD . . 7.380 3.881 2.852 4.323 . 0 0 "[ . 1 . 2]" 1
1230 1 67 PHE QB 1 70 LYS QD . . 8.250 5.444 4.505 5.913 . 0 0 "[ . 1 . 2]" 1
1231 1 67 PHE QB 1 78 LEU QD . . 9.950 6.356 6.122 6.621 . 0 0 "[ . 1 . 2]" 1
1232 1 67 PHE QB 1 83 THR MG . . 8.380 4.941 4.484 5.493 . 0 0 "[ . 1 . 2]" 1
1233 1 67 PHE HB2 1 68 LEU H . . 6.500 3.744 3.461 4.003 . 0 0 "[ . 1 . 2]" 1
1234 1 67 PHE HB3 1 68 LEU H . . 6.500 2.339 2.055 2.652 . 0 0 "[ . 1 . 2]" 1
1235 1 68 LEU H 1 69 GLN H . . 4.200 2.654 2.399 2.984 . 0 0 "[ . 1 . 2]" 1
1236 1 68 LEU H 1 69 GLN QB . . 7.500 4.571 4.029 5.232 . 0 0 "[ . 1 . 2]" 1
1237 1 68 LEU H 1 69 GLN QG . . 7.000 4.806 4.000 6.248 . 0 0 "[ . 1 . 2]" 1
1238 1 68 LEU H 1 75 ALA MB . . 4.900 3.938 3.675 4.118 . 0 0 "[ . 1 . 2]" 1
1239 1 68 LEU H 1 77 GLU HA . . 6.500 4.811 3.915 5.460 . 0 0 "[ . 1 . 2]" 1
1240 1 68 LEU HA 1 69 GLN HA . . 5.800 4.872 4.666 5.004 . 0 0 "[ . 1 . 2]" 1
1241 1 68 LEU HA 1 71 PHE H . . 4.900 3.272 2.383 4.316 . 0 0 "[ . 1 . 2]" 1
1242 1 68 LEU HA 1 75 ALA MB . . 6.700 4.058 3.784 4.513 . 0 0 "[ . 1 . 2]" 1
1243 1 68 LEU QB 1 69 GLN QG . . 6.800 4.576 3.830 5.414 . 0 0 "[ . 1 . 2]" 1
1244 1 69 GLN H 1 70 LYS HA . . 6.100 5.404 5.198 5.547 . 0 0 "[ . 1 . 2]" 1
1245 1 69 GLN H 1 71 PHE H . . 6.200 4.215 3.917 4.746 . 0 0 "[ . 1 . 2]" 1
1246 1 69 GLN H 1 72 GLU H . . 5.000 4.835 4.648 5.016 0.016 16 0 "[ . 1 . 2]" 1
1247 1 69 GLN H 1 75 ALA MB . . 4.700 3.547 2.946 3.954 . 0 0 "[ . 1 . 2]" 1
1248 1 69 GLN HA 1 69 GLN QG . . 4.000 2.650 2.098 3.042 . 0 0 "[ . 1 . 2]" 1
1249 1 69 GLN HA 1 71 PHE H . . 4.700 3.832 3.419 4.707 0.007 20 0 "[ . 1 . 2]" 1
1250 1 69 GLN HA 1 72 GLU H . . 6.500 3.444 2.947 4.048 . 0 0 "[ . 1 . 2]" 1
1251 1 69 GLN HA 1 73 SER H . . 6.300 4.234 2.554 5.364 . 0 0 "[ . 1 . 2]" 1
1252 1 69 GLN HA 1 73 SER HA . . 4.000 3.255 2.136 4.043 0.043 10 0 "[ . 1 . 2]" 1
1253 1 69 GLN HA 1 74 GLY H . . 5.000 4.231 2.610 5.086 0.086 17 0 "[ . 1 . 2]" 1
1254 1 69 GLN HA 1 75 ALA H . . 4.200 3.526 2.947 4.174 . 0 0 "[ . 1 . 2]" 1
1255 1 69 GLN HA 1 75 ALA MB . . 5.300 3.237 2.621 4.238 . 0 0 "[ . 1 . 2]" 1
1256 1 69 GLN QB 1 73 SER HA . . 6.200 4.084 3.262 4.878 . 0 0 "[ . 1 . 2]" 1
1257 1 69 GLN QB 1 73 SER QB . . 8.500 5.491 4.503 6.176 . 0 0 "[ . 1 . 2]" 1
1258 1 69 GLN QB 1 74 GLY H . . 7.500 5.542 3.764 6.606 . 0 0 "[ . 1 . 2]" 1
1259 1 69 GLN QE 1 74 GLY H . . 7.370 3.779 2.183 5.443 . 0 0 "[ . 1 . 2]" 1
1260 1 69 GLN QE 1 75 ALA MB . . 7.000 2.905 1.927 4.412 . 0 0 "[ . 1 . 2]" 1
1261 1 69 GLN QE 1 77 GLU HA . . 6.600 5.208 4.809 5.859 . 0 0 "[ . 1 . 2]" 1
1262 1 69 GLN QE 1 77 GLU QG . . 5.370 2.698 2.103 3.953 . 0 0 "[ . 1 . 2]" 1
1263 1 69 GLN HE21 1 75 ALA H . . 6.500 2.897 2.249 3.864 . 0 0 "[ . 1 . 2]" 1
1264 1 69 GLN HE21 1 75 ALA MB . . 7.200 3.069 1.971 4.540 . 0 0 "[ . 1 . 2]" 1
1265 1 69 GLN HE21 1 76 ARG HA . . 6.500 5.524 4.657 6.511 0.011 6 0 "[ . 1 . 2]" 1
1266 1 69 GLN HE21 1 77 GLU H . . 6.500 3.689 2.850 4.496 . 0 0 "[ . 1 . 2]" 1
1267 1 69 GLN HE21 1 77 GLU HA . . 6.800 5.652 5.098 6.675 . 0 0 "[ . 1 . 2]" 1
1268 1 69 GLN HE21 1 77 GLU HB2 . . 6.500 3.555 2.449 5.027 . 0 0 "[ . 1 . 2]" 1
1269 1 69 GLN HE21 1 77 GLU HB3 . . 6.500 4.860 4.173 6.002 . 0 0 "[ . 1 . 2]" 1
1270 1 69 GLN HE21 1 77 GLU HG2 . . 6.000 2.935 2.135 4.520 . 0 0 "[ . 1 . 2]" 1
1271 1 69 GLN HE21 1 77 GLU HG3 . . 6.000 3.857 2.768 4.720 . 0 0 "[ . 1 . 2]" 1
1272 1 69 GLN HE22 1 75 ALA H . . 6.500 2.993 1.993 5.240 . 0 0 "[ . 1 . 2]" 1
1273 1 69 GLN HE22 1 75 ALA MB . . 7.200 3.855 2.193 6.003 . 0 0 "[ . 1 . 2]" 1
1274 1 69 GLN HE22 1 76 ARG HA . . 6.500 5.715 4.892 6.542 0.042 18 0 "[ . 1 . 2]" 1
1275 1 69 GLN HE22 1 77 GLU H . . 6.500 4.486 3.224 5.241 . 0 0 "[ . 1 . 2]" 1
1276 1 69 GLN HE22 1 77 GLU HA . . 6.800 6.424 5.049 6.896 0.096 11 0 "[ . 1 . 2]" 1
1277 1 69 GLN HE22 1 77 GLU HB2 . . 6.500 4.287 2.600 6.396 . 0 0 "[ . 1 . 2]" 1
1278 1 69 GLN HE22 1 77 GLU HB3 . . 6.500 5.713 4.238 6.517 0.017 4 0 "[ . 1 . 2]" 1
1279 1 69 GLN HE22 1 77 GLU HG2 . . 6.000 4.039 2.609 5.572 . 0 0 "[ . 1 . 2]" 1
1280 1 69 GLN HE22 1 77 GLU HG3 . . 6.000 4.989 3.086 6.020 0.020 4 0 "[ . 1 . 2]" 1
1281 1 69 GLN QG 1 73 SER HA . . 7.500 4.162 2.239 5.630 . 0 0 "[ . 1 . 2]" 1
1282 1 69 GLN QG 1 73 SER QB . . 8.500 5.519 3.862 6.685 . 0 0 "[ . 1 . 2]" 1
1283 1 69 GLN QG 1 74 GLY H . . 7.500 4.976 1.974 6.736 . 0 0 "[ . 1 . 2]" 1
1284 1 69 GLN QG 1 75 ALA H . . 7.000 4.043 2.769 5.002 . 0 0 "[ . 1 . 2]" 1
1285 1 69 GLN QG 1 75 ALA HA . . 7.500 6.101 5.317 6.714 . 0 0 "[ . 1 . 2]" 1
1286 1 69 GLN QG 1 75 ALA MB . . 7.600 3.719 2.725 4.536 . 0 0 "[ . 1 . 2]" 1
1287 1 69 GLN QG 1 77 GLU HA . . 7.500 5.712 4.532 6.731 . 0 0 "[ . 1 . 2]" 1
1288 1 70 LYS H 1 70 LYS QD . . 4.880 3.084 1.886 4.265 . 0 0 "[ . 1 . 2]" 1
1289 1 70 LYS H 1 71 PHE H . . 3.700 2.569 1.991 3.372 . 0 0 "[ . 1 . 2]" 1
1290 1 70 LYS H 1 71 PHE QB . . 6.600 4.473 3.581 4.898 . 0 0 "[ . 1 . 2]" 1
1291 1 70 LYS HA 1 70 LYS QG . . 3.850 2.595 2.209 3.460 . 0 0 "[ . 1 . 2]" 1
1292 1 70 LYS QB 1 71 PHE HA . . 7.500 4.120 3.679 4.964 . 0 0 "[ . 1 . 2]" 1
1293 1 71 PHE H 1 72 GLU QG . . 7.500 6.016 3.941 6.602 . 0 0 "[ . 1 . 2]" 1
1294 1 72 GLU H 1 73 SER H . . 4.600 3.702 2.019 4.528 . 0 0 "[ . 1 . 2]" 1
1295 1 72 GLU H 1 75 ALA H . . 5.600 4.941 4.097 5.572 . 0 0 "[ . 1 . 2]" 1
1296 1 72 GLU H 1 75 ALA MB . . 4.900 3.515 2.707 4.091 . 0 0 "[ . 1 . 2]" 1
1297 1 72 GLU HA 1 72 GLU QG . . 3.900 2.582 2.226 3.355 . 0 0 "[ . 1 . 2]" 1
1298 1 72 GLU QB 1 75 ALA H . . 6.980 3.424 2.227 4.468 . 0 0 "[ . 1 . 2]" 1
1299 1 72 GLU QB 1 75 ALA MB . . 6.080 2.430 1.990 3.939 . 0 0 "[ . 1 . 2]" 1
1300 1 72 GLU QG 1 73 SER H . . 6.400 3.045 1.904 4.398 . 0 0 "[ . 1 . 2]" 1
1301 1 72 GLU QG 1 73 SER HA . . 7.500 5.051 4.124 5.848 . 0 0 "[ . 1 . 2]" 1
1302 1 72 GLU QG 1 74 GLY H . . 7.300 3.732 2.335 5.262 . 0 0 "[ . 1 . 2]" 1
1303 1 72 GLU QG 1 74 GLY QA . . 8.380 4.552 3.669 5.484 . 0 0 "[ . 1 . 2]" 1
1304 1 72 GLU QG 1 75 ALA H . . 7.200 4.506 2.750 5.756 . 0 0 "[ . 1 . 2]" 1
1305 1 72 GLU QG 1 75 ALA HA . . 7.500 4.306 3.282 5.774 . 0 0 "[ . 1 . 2]" 1
1306 1 72 GLU QG 1 75 ALA MB . . 7.500 3.666 2.072 5.129 . 0 0 "[ . 1 . 2]" 1
1307 1 73 SER H 1 74 GLY H . . 3.400 2.727 1.936 3.456 0.056 7 0 "[ . 1 . 2]" 1
1308 1 73 SER H 1 75 ALA H . . 6.500 4.183 3.385 5.102 . 0 0 "[ . 1 . 2]" 1
1309 1 73 SER H 1 75 ALA MB . . 6.200 4.357 3.182 5.162 . 0 0 "[ . 1 . 2]" 1
1310 1 73 SER HA 1 75 ALA MB . . 6.400 4.865 4.154 5.360 . 0 0 "[ . 1 . 2]" 1
1311 1 74 GLY H 1 75 ALA H . . 4.000 2.557 2.169 3.076 . 0 0 "[ . 1 . 2]" 1
1312 1 74 GLY H 1 75 ALA MB . . 5.000 3.887 3.359 4.180 . 0 0 "[ . 1 . 2]" 1
1313 1 74 GLY QA 1 75 ALA HA . . 7.380 4.162 4.096 4.256 . 0 0 "[ . 1 . 2]" 1
1314 1 74 GLY HA2 1 75 ALA MB . . 6.100 4.576 4.359 4.806 . 0 0 "[ . 1 . 2]" 1
1315 1 74 GLY HA3 1 75 ALA MB . . 6.100 4.934 4.823 5.053 . 0 0 "[ . 1 . 2]" 1
1316 1 75 ALA H 1 75 ALA MB . . 3.400 2.243 2.136 2.311 . 0 0 "[ . 1 . 2]" 1
1317 1 75 ALA H 1 76 ARG H . . 4.900 4.198 3.240 4.645 . 0 0 "[ . 1 . 2]" 1
1318 1 75 ALA HA 1 76 ARG HA . . 4.800 4.326 4.032 4.742 . 0 0 "[ . 1 . 2]" 1
1319 1 75 ALA HA 1 76 ARG HB2 . . 5.800 4.242 3.863 4.867 . 0 0 "[ . 1 . 2]" 1
1320 1 75 ALA HA 1 76 ARG QB . . 5.210 4.079 3.699 4.616 . 0 0 "[ . 1 . 2]" 1
1321 1 75 ALA HA 1 76 ARG HB3 . . 5.800 5.308 4.728 5.733 . 0 0 "[ . 1 . 2]" 1
1322 1 75 ALA HA 1 76 ARG HD2 . . 6.500 6.021 3.985 6.520 0.020 7 0 "[ . 1 . 2]" 1
1323 1 75 ALA HA 1 76 ARG HD3 . . 6.500 5.147 4.365 6.505 0.005 3 0 "[ . 1 . 2]" 1
1324 1 75 ALA MB 1 76 ARG H . . 3.700 2.023 1.878 2.496 . 0 0 "[ . 1 . 2]" 1
1325 1 75 ALA MB 1 76 ARG QD . . 8.380 4.962 4.272 5.439 . 0 0 "[ . 1 . 2]" 1
1326 1 76 ARG H 1 76 ARG HD2 . . 5.500 5.032 3.498 5.532 0.032 19 0 "[ . 1 . 2]" 1
1327 1 76 ARG H 1 76 ARG HD3 . . 5.500 4.397 3.817 5.391 . 0 0 "[ . 1 . 2]" 1
1328 1 76 ARG H 1 77 GLU H . . 3.700 2.456 1.982 3.286 . 0 0 "[ . 1 . 2]" 1
1329 1 76 ARG HA 1 76 ARG HD2 . . 4.300 2.781 2.110 3.595 . 0 0 "[ . 1 . 2]" 1
1330 1 76 ARG HA 1 76 ARG HD3 . . 4.300 2.888 2.276 4.284 . 0 0 "[ . 1 . 2]" 1
1331 1 76 ARG HA 1 77 GLU QG . . 7.380 4.859 4.213 5.154 . 0 0 "[ . 1 . 2]" 1
1332 1 76 ARG QD 1 79 THR MG . . 8.380 4.472 3.440 6.216 . 0 0 "[ . 1 . 2]" 1
1333 1 76 ARG QD 1 82 GLU QG . . 6.380 3.880 2.829 4.937 . 0 0 "[ . 1 . 2]" 1
1334 1 76 ARG QG 1 83 THR HA . . 6.500 5.827 5.626 5.901 . 0 0 "[ . 1 . 2]" 1
1335 1 77 GLU H 1 77 GLU HB2 . . 4.000 2.974 2.519 3.576 . 0 0 "[ . 1 . 2]" 1
1336 1 77 GLU H 1 77 GLU QB . . 3.800 2.743 2.458 2.984 . 0 0 "[ . 1 . 2]" 1
1337 1 77 GLU H 1 77 GLU HB3 . . 4.000 3.408 2.504 3.581 . 0 0 "[ . 1 . 2]" 1
1338 1 77 GLU H 1 77 GLU HG2 . . 3.800 2.303 1.984 3.610 . 0 0 "[ . 1 . 2]" 1
1339 1 77 GLU H 1 77 GLU HG3 . . 3.800 3.230 2.238 3.665 . 0 0 "[ . 1 . 2]" 1
1340 1 77 GLU HA 1 77 GLU QG . . 3.860 3.138 2.619 3.374 . 0 0 "[ . 1 . 2]" 1
1341 1 77 GLU QB 1 78 LEU H . . 4.420 2.754 2.447 3.434 . 0 0 "[ . 1 . 2]" 1
1342 1 77 GLU HB2 1 78 LEU H . . 4.600 2.823 2.496 3.738 . 0 0 "[ . 1 . 2]" 1
1343 1 77 GLU HB3 1 78 LEU H . . 4.600 3.923 3.533 4.267 . 0 0 "[ . 1 . 2]" 1
1344 1 77 GLU QG 1 78 LEU H . . 5.590 3.677 1.933 4.426 . 0 0 "[ . 1 . 2]" 1
1345 1 77 GLU HG2 1 78 LEU H . . 6.000 3.992 2.071 5.081 . 0 0 "[ . 1 . 2]" 1
1346 1 77 GLU HG3 1 78 LEU H . . 6.000 4.618 1.944 5.456 . 0 0 "[ . 1 . 2]" 1
1347 1 78 LEU H 1 78 LEU QD . . 5.170 1.746 1.700 1.822 . 0 0 "[ . 1 . 2]" 1
1348 1 78 LEU H 1 79 THR H . . 5.900 2.963 2.725 3.177 . 0 0 "[ . 1 . 2]" 1
1349 1 78 LEU HA 1 80 GLU H . . 6.300 5.278 4.738 5.812 . 0 0 "[ . 1 . 2]" 1
1350 1 78 LEU QD 1 82 GLU QG . . 10.070 6.428 5.626 6.689 . 0 0 "[ . 1 . 2]" 1
1351 1 78 LEU QD 1 83 THR HB . . 9.070 6.306 5.493 6.794 . 0 0 "[ . 1 . 2]" 1
1352 1 78 LEU QD 1 83 THR MG . . 8.470 6.047 5.673 6.356 . 0 0 "[ . 1 . 2]" 1
1353 1 79 THR H 1 79 THR MG . . 4.400 3.722 1.954 3.875 . 0 0 "[ . 1 . 2]" 1
1354 1 79 THR H 1 80 GLU H . . 5.600 4.345 4.135 4.523 . 0 0 "[ . 1 . 2]" 1
1355 1 79 THR H 1 81 SER H . . 6.500 5.903 5.314 6.184 . 0 0 "[ . 1 . 2]" 1
1356 1 79 THR H 1 82 GLU H . . 6.200 5.279 4.912 5.541 . 0 0 "[ . 1 . 2]" 1
1357 1 79 THR H 1 82 GLU QB . . 7.500 4.231 3.598 4.661 . 0 0 "[ . 1 . 2]" 1
1358 1 79 THR H 1 82 GLU QG . . 6.700 5.111 4.477 5.784 . 0 0 "[ . 1 . 2]" 1
1359 1 79 THR H 1 83 THR H . . 6.200 4.856 4.601 5.079 . 0 0 "[ . 1 . 2]" 1
1360 1 79 THR HA 1 81 SER H . . 5.000 3.899 3.673 4.192 . 0 0 "[ . 1 . 2]" 1
1361 1 79 THR HB 1 80 GLU H . . 5.200 4.192 3.616 4.421 . 0 0 "[ . 1 . 2]" 1
1362 1 79 THR HB 1 80 GLU QB . . 7.500 5.936 5.315 6.181 . 0 0 "[ . 1 . 2]" 1
1363 1 79 THR HB 1 81 SER H . . 5.100 4.365 3.387 4.822 . 0 0 "[ . 1 . 2]" 1
1364 1 79 THR MG 1 80 GLU H . . 5.000 3.003 2.463 4.402 . 0 0 "[ . 1 . 2]" 1
1365 1 79 THR MG 1 81 SER H . . 5.800 2.339 1.941 3.959 . 0 0 "[ . 1 . 2]" 1
1366 1 79 THR MG 1 82 GLU H . . 7.500 2.203 1.835 3.312 . 0 0 "[ . 1 . 2]" 1
1367 1 79 THR MG 1 83 THR H . . 7.500 3.897 3.471 4.818 . 0 0 "[ . 1 . 2]" 1
1368 1 80 GLU H 1 81 SER H . . 4.200 2.833 2.572 3.029 . 0 0 "[ . 1 . 2]" 1
1369 1 80 GLU H 1 82 GLU H . . 6.500 4.703 4.338 5.119 . 0 0 "[ . 1 . 2]" 1
1370 1 80 GLU H 1 83 THR H . . 6.400 4.872 4.734 5.085 . 0 0 "[ . 1 . 2]" 1
1371 1 80 GLU HA 1 80 GLU QG . . 3.900 2.966 2.343 3.419 . 0 0 "[ . 1 . 2]" 1
1372 1 80 GLU QB 1 81 SER HA . . 6.600 4.289 3.825 4.668 . 0 0 "[ . 1 . 2]" 1
1373 1 80 GLU QB 1 83 THR HB . . 7.100 4.267 3.986 5.234 . 0 0 "[ . 1 . 2]" 1
1374 1 80 GLU QB 1 83 THR MG . . 6.900 3.918 3.189 4.749 . 0 0 "[ . 1 . 2]" 1
1375 1 80 GLU QG 1 81 SER H . . 7.500 3.201 2.112 4.686 . 0 0 "[ . 1 . 2]" 1
1376 1 80 GLU QG 1 83 THR H . . 7.500 5.495 5.095 5.676 . 0 0 "[ . 1 . 2]" 1
1377 1 81 SER H 1 82 GLU H . . 4.200 3.058 2.863 3.369 . 0 0 "[ . 1 . 2]" 1
1378 1 81 SER H 1 82 GLU QB . . 7.200 4.980 4.549 5.344 . 0 0 "[ . 1 . 2]" 1
1379 1 81 SER H 1 82 GLU QG . . 7.400 5.049 4.219 6.468 . 0 0 "[ . 1 . 2]" 1
1380 1 81 SER H 1 83 THR H . . 5.900 4.334 4.102 4.535 . 0 0 "[ . 1 . 2]" 1
1381 1 81 SER H 1 84 LYS H . . 6.500 4.617 4.521 4.723 . 0 0 "[ . 1 . 2]" 1
1382 1 81 SER H 1 84 LYS QG . . 7.500 5.494 4.553 6.688 . 0 0 "[ . 1 . 2]" 1
1383 1 81 SER HA 1 82 GLU QB . . 6.600 5.519 5.140 5.626 . 0 0 "[ . 1 . 2]" 1
1384 1 81 SER HA 1 84 LYS H . . 5.500 3.642 3.399 3.901 . 0 0 "[ . 1 . 2]" 1
1385 1 81 SER HA 1 84 LYS QG . . 7.100 3.995 2.221 4.727 . 0 0 "[ . 1 . 2]" 1
1386 1 81 SER HA 1 85 SER H . . 6.500 4.101 3.868 4.280 . 0 0 "[ . 1 . 2]" 1
1387 1 81 SER QB 1 82 GLU QG . . 8.500 3.389 2.374 5.125 . 0 0 "[ . 1 . 2]" 1
1388 1 82 GLU H 1 83 THR H . . 4.300 2.788 2.371 3.163 . 0 0 "[ . 1 . 2]" 1
1389 1 82 GLU H 1 83 THR HA . . 5.500 5.329 4.995 5.572 0.072 14 0 "[ . 1 . 2]" 1
1390 1 82 GLU H 1 84 LYS H . . 5.400 4.172 3.785 4.676 . 0 0 "[ . 1 . 2]" 1
1391 1 82 GLU H 1 85 SER H . . 6.500 4.612 4.406 4.857 . 0 0 "[ . 1 . 2]" 1
1392 1 82 GLU HA 1 82 GLU QG . . 3.900 2.478 2.132 2.955 . 0 0 "[ . 1 . 2]" 1
1393 1 82 GLU QB 1 84 LYS H . . 7.500 4.740 4.566 5.094 . 0 0 "[ . 1 . 2]" 1
1394 1 82 GLU QB 1 85 SER H . . 6.300 4.774 4.602 5.099 . 0 0 "[ . 1 . 2]" 1
1395 1 82 GLU QG 1 83 THR H . . 6.700 4.105 3.372 4.664 . 0 0 "[ . 1 . 2]" 1
1396 1 83 THR H 1 83 THR HB . . 3.900 2.185 2.069 2.421 . 0 0 "[ . 1 . 2]" 1
1397 1 83 THR H 1 83 THR MG . . 4.500 3.553 2.885 3.806 . 0 0 "[ . 1 . 2]" 1
1398 1 83 THR H 1 84 LYS H . . 4.200 2.781 2.577 2.925 . 0 0 "[ . 1 . 2]" 1
1399 1 83 THR H 1 84 LYS HA . . 5.800 5.362 5.215 5.463 . 0 0 "[ . 1 . 2]" 1
1400 1 83 THR H 1 84 LYS QB . . 6.400 4.654 4.244 4.980 . 0 0 "[ . 1 . 2]" 1
1401 1 83 THR H 1 84 LYS QG . . 7.000 5.367 4.543 6.296 . 0 0 "[ . 1 . 2]" 1
1402 1 83 THR H 1 85 SER H . . 5.900 4.181 4.014 4.369 . 0 0 "[ . 1 . 2]" 1
1403 1 83 THR HA 1 84 LYS QB . . 6.600 5.364 5.132 5.584 . 0 0 "[ . 1 . 2]" 1
1404 1 83 THR HA 1 85 SER H . . 6.100 4.461 4.142 4.650 . 0 0 "[ . 1 . 2]" 1
1405 1 83 THR HB 1 84 LYS H . . 4.700 2.937 2.462 3.692 . 0 0 "[ . 1 . 2]" 1
1406 1 83 THR HB 1 84 LYS QG . . 7.500 4.917 3.488 6.686 . 0 0 "[ . 1 . 2]" 1
1407 1 83 THR HB 1 85 SER H . . 5.500 5.243 4.956 5.543 0.043 8 0 "[ . 1 . 2]" 1
1408 1 83 THR MG 1 84 LYS H . . 7.500 2.694 2.170 3.077 . 0 0 "[ . 1 . 2]" 1
1409 1 83 THR MG 1 87 MET H . . 5.700 3.846 3.306 4.252 . 0 0 "[ . 1 . 2]" 1
1410 1 84 LYS H 1 84 LYS QE . . 7.000 4.943 3.688 5.983 . 0 0 "[ . 1 . 2]" 1
1411 1 84 LYS H 1 85 SER H . . 3.900 2.683 2.536 2.824 . 0 0 "[ . 1 . 2]" 1
1412 1 84 LYS HA 1 87 MET H . . 6.100 3.025 2.753 3.319 . 0 0 "[ . 1 . 2]" 1
1413 1 84 LYS HA 1 87 MET QB . . 5.280 2.104 1.995 2.289 . 0 0 "[ . 1 . 2]" 1
1414 1 84 LYS HA 1 88 ALA H . . 5.200 3.455 3.093 3.701 . 0 0 "[ . 1 . 2]" 1
1415 1 84 LYS QB 1 85 SER H . . 5.600 3.002 2.691 3.780 . 0 0 "[ . 1 . 2]" 1
1416 1 84 LYS QB 1 85 SER HA . . 5.900 4.382 4.057 4.891 . 0 0 "[ . 1 . 2]" 1
1417 1 84 LYS QD 1 85 SER H . . 6.800 4.934 2.889 5.687 . 0 0 "[ . 1 . 2]" 1
1418 1 85 SER H 1 86 LEU HA . . 5.500 5.426 5.348 5.513 0.013 9 0 "[ . 1 . 2]" 1
1419 1 85 SER H 1 88 ALA MB . . 5.300 4.456 4.434 4.485 . 0 0 "[ . 1 . 2]" 1
1420 1 85 SER HA 1 87 MET H . . 6.500 4.939 4.828 5.085 . 0 0 "[ . 1 . 2]" 1
1421 1 85 SER HA 1 88 ALA MB . . 3.600 2.643 2.476 3.020 . 0 0 "[ . 1 . 2]" 1
1422 1 85 SER HA 1 89 ALA H . . 6.500 4.512 4.139 4.885 . 0 0 "[ . 1 . 2]" 1
1423 1 86 LEU HA 1 89 ALA MB . . 4.400 3.633 3.496 3.685 . 0 0 "[ . 1 . 2]" 1
1424 1 86 LEU HA 1 90 ALA MB . . 4.900 4.019 3.506 4.103 . 0 0 "[ . 1 . 2]" 1
1425 1 86 LEU HA 1 98 ILE MD . . 7.500 5.706 5.038 5.903 . 0 0 "[ . 1 . 2]" 1
1426 1 87 MET H 1 88 ALA H . . 3.600 3.008 2.944 3.066 . 0 0 "[ . 1 . 2]" 1
1427 1 87 MET H 1 89 ALA H . . 6.500 4.738 4.453 4.991 . 0 0 "[ . 1 . 2]" 1
1428 1 87 MET HA 1 90 ALA MB . . 4.100 2.552 2.340 3.039 . 0 0 "[ . 1 . 2]" 1
1429 1 87 MET HA 1 91 ASP H . . 6.500 3.679 3.421 3.901 . 0 0 "[ . 1 . 2]" 1
1430 1 87 MET HA 1 91 ASP QB . . 5.200 3.988 3.719 4.298 . 0 0 "[ . 1 . 2]" 1
1431 1 87 MET HA 1 98 ILE HB . . 6.500 5.174 4.798 5.411 . 0 0 "[ . 1 . 2]" 1
1432 1 87 MET HA 1 98 ILE MD . . 5.100 2.082 1.994 2.195 . 0 0 "[ . 1 . 2]" 1
1433 1 87 MET HA 1 98 ILE QG . . 7.400 3.960 3.555 4.131 . 0 0 "[ . 1 . 2]" 1
1434 1 87 MET QB 1 88 ALA MB . . 6.980 3.716 3.538 4.061 . 0 0 "[ . 1 . 2]" 1
1435 1 87 MET QB 1 91 ASP QB . . 5.780 4.483 4.317 4.605 . 0 0 "[ . 1 . 2]" 1
1436 1 88 ALA H 1 88 ALA MB . . 3.400 2.189 2.131 2.229 . 0 0 "[ . 1 . 2]" 1
1437 1 88 ALA H 1 89 ALA H . . 3.900 2.926 2.580 3.094 . 0 0 "[ . 1 . 2]" 1
1438 1 88 ALA H 1 91 ASP H . . 5.300 4.739 4.409 4.844 . 0 0 "[ . 1 . 2]" 1
1439 1 88 ALA HA 1 91 ASP H . . 5.100 4.174 3.959 4.365 . 0 0 "[ . 1 . 2]" 1
1440 1 88 ALA HA 1 91 ASP QB . . 7.500 3.505 3.053 3.791 . 0 0 "[ . 1 . 2]" 1
1441 1 88 ALA MB 1 89 ALA H . . 3.400 2.507 2.205 2.730 . 0 0 "[ . 1 . 2]" 1
1442 1 88 ALA MB 1 91 ASP QB . . 6.900 4.758 4.342 5.010 . 0 0 "[ . 1 . 2]" 1
1443 1 89 ALA H 1 89 ALA MB . . 3.400 2.256 2.189 2.306 . 0 0 "[ . 1 . 2]" 1
1444 1 89 ALA HA 1 90 ALA HA . . 5.200 4.885 4.832 4.959 . 0 0 "[ . 1 . 2]" 1
1445 1 89 ALA MB 1 90 ALA H . . 3.400 2.562 2.413 2.774 . 0 0 "[ . 1 . 2]" 1
1446 1 90 ALA H 1 91 ASP H . . 4.500 2.749 2.551 2.893 . 0 0 "[ . 1 . 2]" 1
1447 1 90 ALA H 1 91 ASP HA . . 5.700 5.344 5.211 5.470 . 0 0 "[ . 1 . 2]" 1
1448 1 90 ALA H 1 91 ASP QB . . 6.400 4.559 4.292 4.709 . 0 0 "[ . 1 . 2]" 1
1449 1 90 ALA H 1 98 ILE MD . . 5.600 4.027 3.587 4.437 . 0 0 "[ . 1 . 2]" 1
1450 1 90 ALA HA 1 98 ILE MD . . 7.200 4.463 4.171 4.819 . 0 0 "[ . 1 . 2]" 1
1451 1 90 ALA HA 1 103 PHE HA . . 4.800 3.960 3.278 4.590 . 0 0 "[ . 1 . 2]" 1
1452 1 90 ALA HA 1 105 GLU QB . . 6.300 5.623 5.539 5.655 . 0 0 "[ . 1 . 2]" 1
1453 1 90 ALA HA 1 106 MET HA . . 5.000 4.916 4.667 5.052 0.052 15 0 "[ . 1 . 2]" 1
1454 1 90 ALA MB 1 91 ASP H . . 3.700 2.534 2.422 2.625 . 0 0 "[ . 1 . 2]" 1
1455 1 90 ALA MB 1 91 ASP HA . . 4.600 3.853 3.835 3.872 . 0 0 "[ . 1 . 2]" 1
1456 1 90 ALA MB 1 92 ASN H . . 6.300 4.889 4.520 5.265 . 0 0 "[ . 1 . 2]" 1
1457 1 90 ALA MB 1 98 ILE HA . . 7.500 4.801 4.598 5.036 . 0 0 "[ . 1 . 2]" 1
1458 1 90 ALA MB 1 98 ILE HB . . 5.100 4.093 3.978 4.252 . 0 0 "[ . 1 . 2]" 1
1459 1 90 ALA MB 1 98 ILE MD . . 6.200 2.071 1.899 2.311 . 0 0 "[ . 1 . 2]" 1
1460 1 90 ALA MB 1 98 ILE QG . . 8.500 2.632 2.299 2.995 . 0 0 "[ . 1 . 2]" 1
1461 1 90 ALA MB 1 98 ILE MG . . 5.900 2.343 2.109 2.722 . 0 0 "[ . 1 . 2]" 1
1462 1 90 ALA MB 1 102 GLU QB . . 6.400 3.894 3.679 4.024 . 0 0 "[ . 1 . 2]" 1
1463 1 90 ALA MB 1 103 PHE H . . 6.200 4.772 4.506 5.008 . 0 0 "[ . 1 . 2]" 1
1464 1 90 ALA MB 1 103 PHE QB . . 8.500 4.133 3.654 4.752 . 0 0 "[ . 1 . 2]" 1
1465 1 90 ALA MB 1 106 MET H . . 7.500 5.165 4.918 5.371 . 0 0 "[ . 1 . 2]" 1
1466 1 91 ASP H 1 92 ASN H . . 4.500 4.063 2.640 4.513 0.013 20 0 "[ . 1 . 2]" 1
1467 1 91 ASP H 1 94 GLY H . . 6.400 5.924 5.630 6.116 . 0 0 "[ . 1 . 2]" 1
1468 1 91 ASP H 1 98 ILE MD . . 5.900 2.881 2.339 3.435 . 0 0 "[ . 1 . 2]" 1
1469 1 91 ASP HA 1 94 GLY H . . 5.800 4.759 4.390 5.309 . 0 0 "[ . 1 . 2]" 1
1470 1 91 ASP HA 1 96 GLY QA . . 7.380 4.926 4.701 5.347 . 0 0 "[ . 1 . 2]" 1
1471 1 91 ASP HA 1 98 ILE MD . . 7.500 3.562 3.189 4.107 . 0 0 "[ . 1 . 2]" 1
1472 1 91 ASP HA 1 98 ILE MG . . 7.500 3.755 3.209 4.155 . 0 0 "[ . 1 . 2]" 1
1473 1 91 ASP HA 1 99 GLY H . . 5.300 5.157 4.972 5.317 0.017 14 0 "[ . 1 . 2]" 1
1474 1 91 ASP HA 1 102 GLU QG . . 7.500 4.238 3.428 4.552 . 0 0 "[ . 1 . 2]" 1
1475 1 91 ASP QB 1 94 GLY H . . 7.500 3.618 3.400 3.800 . 0 0 "[ . 1 . 2]" 1
1476 1 91 ASP QB 1 96 GLY HA2 . . 7.500 2.769 2.574 3.239 . 0 0 "[ . 1 . 2]" 1
1477 1 91 ASP QB 1 96 GLY QA . . 7.100 2.738 2.550 3.182 . 0 0 "[ . 1 . 2]" 1
1478 1 91 ASP QB 1 96 GLY HA3 . . 7.500 4.313 4.130 4.664 . 0 0 "[ . 1 . 2]" 1
1479 1 91 ASP QB 1 98 ILE MD . . 8.400 2.499 2.162 2.899 . 0 0 "[ . 1 . 2]" 1
1480 1 92 ASN H 1 92 ASN HD21 . . 5.600 3.857 2.214 5.053 . 0 0 "[ . 1 . 2]" 1
1481 1 92 ASN H 1 92 ASN QD . . 5.240 3.564 2.201 4.675 . 0 0 "[ . 1 . 2]" 1
1482 1 92 ASN H 1 92 ASN HD22 . . 5.600 4.472 3.552 5.607 0.007 20 0 "[ . 1 . 2]" 1
1483 1 92 ASN H 1 93 ASP H . . 3.800 2.989 2.265 3.521 . 0 0 "[ . 1 . 2]" 1
1484 1 92 ASN H 1 94 GLY H . . 5.900 4.742 4.216 5.220 . 0 0 "[ . 1 . 2]" 1
1485 1 92 ASN H 1 98 ILE MD . . 7.400 5.295 4.548 5.750 . 0 0 "[ . 1 . 2]" 1
1486 1 92 ASN H 1 98 ILE MG . . 7.400 4.897 4.175 6.199 . 0 0 "[ . 1 . 2]" 1
1487 1 92 ASN HA 1 92 ASN HD22 . . 5.500 4.814 3.486 5.478 . 0 0 "[ . 1 . 2]" 1
1488 1 92 ASN HA 1 94 GLY H . . 5.700 4.547 3.970 5.024 . 0 0 "[ . 1 . 2]" 1
1489 1 92 ASN QD 1 93 ASP H . . 7.370 5.250 3.929 5.991 . 0 0 "[ . 1 . 2]" 1
1490 1 92 ASN QD 1 93 ASP HA . . 7.370 6.100 3.468 6.593 . 0 0 "[ . 1 . 2]" 1
1491 1 92 ASN QD 1 102 GLU QG . . 7.770 3.427 2.354 4.979 . 0 0 "[ . 1 . 2]" 1
1492 1 92 ASN HD21 1 102 GLU HA . . 6.500 4.064 2.011 6.511 0.011 8 0 "[ . 1 . 2]" 1
1493 1 92 ASN HD21 1 105 GLU QB . . 7.500 3.796 2.546 6.572 . 0 0 "[ . 1 . 2]" 1
1494 1 92 ASN HD22 1 102 GLU HA . . 6.500 3.656 2.442 6.037 . 0 0 "[ . 1 . 2]" 1
1495 1 92 ASN HD22 1 105 GLU QB . . 7.500 3.404 2.242 5.196 . 0 0 "[ . 1 . 2]" 1
1496 1 93 ASP H 1 94 GLY H . . 3.900 2.094 1.965 2.319 . 0 0 "[ . 1 . 2]" 1
1497 1 93 ASP H 1 94 GLY HA2 . . 5.000 4.240 3.745 4.612 . 0 0 "[ . 1 . 2]" 1
1498 1 93 ASP H 1 94 GLY HA3 . . 5.000 4.688 4.154 5.021 0.021 10 0 "[ . 1 . 2]" 1
1499 1 93 ASP H 1 95 ASP H . . 5.400 3.726 3.248 4.231 . 0 0 "[ . 1 . 2]" 1
1500 1 93 ASP H 1 96 GLY H . . 6.500 4.835 4.391 5.468 . 0 0 "[ . 1 . 2]" 1
1501 1 93 ASP HA 1 94 GLY QA . . 6.680 4.432 4.318 4.464 . 0 0 "[ . 1 . 2]" 1
1502 1 93 ASP HA 1 95 ASP H . . 5.600 5.054 4.788 5.608 0.008 14 0 "[ . 1 . 2]" 1
1503 1 93 ASP QB 1 95 ASP QB . . 6.580 2.841 2.125 3.891 . 0 0 "[ . 1 . 2]" 1
1504 1 94 GLY H 1 95 ASP H . . 4.100 2.007 1.984 2.224 . 0 0 "[ . 1 . 2]" 1
1505 1 94 GLY H 1 95 ASP HA . . 5.800 4.731 4.685 4.872 . 0 0 "[ . 1 . 2]" 1
1506 1 94 GLY H 1 95 ASP QB . . 5.880 4.258 3.908 4.554 . 0 0 "[ . 1 . 2]" 1
1507 1 94 GLY H 1 96 GLY H . . 6.100 3.817 3.499 4.030 . 0 0 "[ . 1 . 2]" 1
1508 1 94 GLY H 1 97 LYS H . . 6.500 6.305 5.978 6.516 0.016 20 0 "[ . 1 . 2]" 1
1509 1 94 GLY QA 1 95 ASP HA . . 6.180 4.053 3.991 4.097 . 0 0 "[ . 1 . 2]" 1
1510 1 95 ASP H 1 96 GLY H . . 3.800 2.229 1.984 2.450 . 0 0 "[ . 1 . 2]" 1
1511 1 95 ASP H 1 96 GLY HA2 . . 4.800 3.972 3.726 4.152 . 0 0 "[ . 1 . 2]" 1
1512 1 95 ASP H 1 96 GLY QA . . 4.380 3.748 3.542 3.912 . 0 0 "[ . 1 . 2]" 1
1513 1 95 ASP H 1 96 GLY HA3 . . 4.800 4.596 4.428 4.777 . 0 0 "[ . 1 . 2]" 1
1514 1 95 ASP H 1 97 LYS H . . 5.300 4.633 4.355 4.936 . 0 0 "[ . 1 . 2]" 1
1515 1 95 ASP HA 1 96 GLY HA2 . . 6.400 5.121 5.053 5.209 . 0 0 "[ . 1 . 2]" 1
1516 1 95 ASP HA 1 96 GLY QA . . 5.720 4.311 4.276 4.361 . 0 0 "[ . 1 . 2]" 1
1517 1 95 ASP HA 1 96 GLY HA3 . . 6.400 4.639 4.576 4.721 . 0 0 "[ . 1 . 2]" 1
1518 1 95 ASP QB 1 96 GLY QA . . 8.250 4.444 4.179 4.599 . 0 0 "[ . 1 . 2]" 1
1519 1 95 ASP QB 1 97 LYS H . . 7.380 3.541 2.973 4.000 . 0 0 "[ . 1 . 2]" 1
1520 1 95 ASP QB 1 97 LYS QG . . 8.250 3.834 2.600 5.382 . 0 0 "[ . 1 . 2]" 1
1521 1 95 ASP HB2 1 96 GLY H . . 5.300 3.676 3.246 4.015 . 0 0 "[ . 1 . 2]" 1
1522 1 95 ASP HB3 1 96 GLY H . . 5.300 3.767 3.502 3.929 . 0 0 "[ . 1 . 2]" 1
1523 1 96 GLY H 1 97 LYS H . . 3.700 2.589 2.135 3.095 . 0 0 "[ . 1 . 2]" 1
1524 1 96 GLY H 1 97 LYS HA . . 5.700 4.885 4.717 5.040 . 0 0 "[ . 1 . 2]" 1
1525 1 96 GLY H 1 97 LYS QB . . 7.500 4.570 4.182 5.075 . 0 0 "[ . 1 . 2]" 1
1526 1 96 GLY H 1 97 LYS QD . . 7.380 5.646 4.920 6.388 . 0 0 "[ . 1 . 2]" 1
1527 1 96 GLY H 1 97 LYS QG . . 7.380 4.237 3.437 5.181 . 0 0 "[ . 1 . 2]" 1
1528 1 96 GLY QA 1 97 LYS QG . . 6.870 4.067 3.759 4.643 . 0 0 "[ . 1 . 2]" 1
1529 1 96 GLY HA2 1 97 LYS HA . . 6.500 4.813 4.761 4.896 . 0 0 "[ . 1 . 2]" 1
1530 1 96 GLY HA2 1 97 LYS QB . . 7.500 5.501 5.434 5.583 . 0 0 "[ . 1 . 2]" 1
1531 1 96 GLY HA2 1 97 LYS HG2 . . 8.250 5.879 5.246 7.065 . 0 0 "[ . 1 . 2]" 1
1532 1 96 GLY HA2 1 97 LYS HG3 . . 8.250 5.877 5.132 6.943 . 0 0 "[ . 1 . 2]" 1
1533 1 96 GLY HA3 1 97 LYS HA . . 6.500 4.471 4.310 4.557 . 0 0 "[ . 1 . 2]" 1
1534 1 96 GLY HA3 1 97 LYS QB . . 7.500 4.957 4.605 5.135 . 0 0 "[ . 1 . 2]" 1
1535 1 96 GLY HA3 1 97 LYS HG2 . . 8.250 5.026 4.059 6.026 . 0 0 "[ . 1 . 2]" 1
1536 1 96 GLY HA3 1 97 LYS HG3 . . 8.250 5.121 4.025 6.586 . 0 0 "[ . 1 . 2]" 1
1537 1 97 LYS H 1 97 LYS QD . . 5.080 3.666 2.652 4.267 . 0 0 "[ . 1 . 2]" 1
1538 1 97 LYS H 1 97 LYS QE . . 6.800 4.456 3.238 5.109 . 0 0 "[ . 1 . 2]" 1
1539 1 97 LYS H 1 97 LYS QG . . 4.980 2.276 1.900 2.674 . 0 0 "[ . 1 . 2]" 1
1540 1 97 LYS H 1 98 ILE H . . 5.600 4.455 4.130 4.648 . 0 0 "[ . 1 . 2]" 1
1541 1 97 LYS HA 1 98 ILE HB . . 6.200 4.310 4.059 4.490 . 0 0 "[ . 1 . 2]" 1
1542 1 97 LYS HA 1 98 ILE MD . . 7.500 4.260 3.744 4.764 . 0 0 "[ . 1 . 2]" 1
1543 1 97 LYS QB 1 98 ILE H . . 6.200 3.381 3.049 3.644 . 0 0 "[ . 1 . 2]" 1
1544 1 97 LYS QB 1 98 ILE HB . . 7.500 5.399 5.175 5.644 . 0 0 "[ . 1 . 2]" 1
1545 1 97 LYS QB 1 99 GLY H . . 7.500 5.267 4.684 5.933 . 0 0 "[ . 1 . 2]" 1
1546 1 97 LYS QG 1 98 ILE H . . 6.380 4.316 4.000 4.860 . 0 0 "[ . 1 . 2]" 1
1547 1 98 ILE H 1 98 ILE MD . . 4.000 3.275 2.724 3.679 . 0 0 "[ . 1 . 2]" 1
1548 1 98 ILE H 1 98 ILE MG . . 4.600 3.711 3.642 3.776 . 0 0 "[ . 1 . 2]" 1
1549 1 98 ILE H 1 99 GLY H . . 6.500 4.368 4.158 4.598 . 0 0 "[ . 1 . 2]" 1
1550 1 98 ILE HA 1 99 GLY HA2 . . 5.700 4.510 4.465 4.574 . 0 0 "[ . 1 . 2]" 1
1551 1 98 ILE HA 1 99 GLY QA . . 5.480 3.974 3.941 4.009 . 0 0 "[ . 1 . 2]" 1
1552 1 98 ILE HA 1 99 GLY HA3 . . 5.700 4.416 4.369 4.472 . 0 0 "[ . 1 . 2]" 1
1553 1 98 ILE HA 1 102 GLU H . . 6.500 5.190 4.881 5.515 . 0 0 "[ . 1 . 2]" 1
1554 1 98 ILE HB 1 99 GLY H . . 6.500 4.367 3.740 4.587 . 0 0 "[ . 1 . 2]" 1
1555 1 98 ILE HB 1 99 GLY QA . . 6.680 4.962 4.510 5.212 . 0 0 "[ . 1 . 2]" 1
1556 1 98 ILE HB 1 102 GLU QB . . 7.500 4.551 4.281 4.791 . 0 0 "[ . 1 . 2]" 1
1557 1 98 ILE QG 1 103 PHE QB . . 8.500 5.066 4.496 5.968 . 0 0 "[ . 1 . 2]" 1
1558 1 98 ILE MG 1 99 GLY H . . 6.700 2.975 2.024 3.463 . 0 0 "[ . 1 . 2]" 1
1559 1 98 ILE MG 1 99 GLY HA2 . . 7.500 3.990 3.467 4.371 . 0 0 "[ . 1 . 2]" 1
1560 1 98 ILE MG 1 99 GLY HA3 . . 7.500 4.307 4.030 4.515 . 0 0 "[ . 1 . 2]" 1
1561 1 98 ILE MG 1 100 ALA H . . 7.500 4.880 4.556 5.054 . 0 0 "[ . 1 . 2]" 1
1562 1 98 ILE MG 1 100 ALA HA . . 7.500 4.261 3.929 4.567 . 0 0 "[ . 1 . 2]" 1
1563 1 98 ILE MG 1 102 GLU H . . 5.500 4.283 4.080 4.526 . 0 0 "[ . 1 . 2]" 1
1564 1 98 ILE MG 1 102 GLU QG . . 8.500 3.976 3.605 4.250 . 0 0 "[ . 1 . 2]" 1
1565 1 98 ILE MG 1 103 PHE H . . 4.900 2.778 2.566 2.961 . 0 0 "[ . 1 . 2]" 1
1566 1 98 ILE MG 1 103 PHE HA . . 6.100 3.159 2.885 3.463 . 0 0 "[ . 1 . 2]" 1
1567 1 98 ILE MG 1 103 PHE QB . . 7.600 2.508 2.072 3.279 . 0 0 "[ . 1 . 2]" 1
1568 1 98 ILE MG 1 104 GLN H . . 6.300 4.928 4.704 5.228 . 0 0 "[ . 1 . 2]" 1
1569 1 99 GLY H 1 100 ALA H . . 6.500 4.581 4.295 4.704 . 0 0 "[ . 1 . 2]" 1
1570 1 99 GLY H 1 101 GLU H . . 6.500 5.006 4.694 5.208 . 0 0 "[ . 1 . 2]" 1
1571 1 99 GLY H 1 102 GLU H . . 6.500 3.564 3.162 3.849 . 0 0 "[ . 1 . 2]" 1
1572 1 99 GLY H 1 102 GLU HA . . 6.000 5.054 4.638 5.403 . 0 0 "[ . 1 . 2]" 1
1573 1 99 GLY H 1 102 GLU QB . . 7.500 2.358 1.816 2.798 . 0 0 "[ . 1 . 2]" 1
1574 1 99 GLY H 1 103 PHE H . . 6.500 4.108 3.190 4.611 . 0 0 "[ . 1 . 2]" 1
1575 1 99 GLY QA 1 100 ALA MB . . 5.230 3.833 3.760 3.880 . 0 0 "[ . 1 . 2]" 1
1576 1 99 GLY QA 1 102 GLU QG . . 8.380 3.481 2.699 4.997 . 0 0 "[ . 1 . 2]" 1
1577 1 99 GLY HA2 1 100 ALA HA . . 5.000 4.397 4.198 4.494 . 0 0 "[ . 1 . 2]" 1
1578 1 99 GLY HA2 1 100 ALA MB . . 5.500 4.213 4.148 4.286 . 0 0 "[ . 1 . 2]" 1
1579 1 99 GLY HA3 1 100 ALA HA . . 5.000 4.749 4.672 4.817 . 0 0 "[ . 1 . 2]" 1
1580 1 99 GLY HA3 1 100 ALA MB . . 5.500 4.410 4.304 4.511 . 0 0 "[ . 1 . 2]" 1
1581 1 100 ALA H 1 100 ALA MB . . 3.400 2.231 2.135 2.265 . 0 0 "[ . 1 . 2]" 1
1582 1 100 ALA H 1 101 GLU H . . 4.400 2.636 2.587 2.712 . 0 0 "[ . 1 . 2]" 1
1583 1 100 ALA H 1 101 GLU HA . . 5.200 5.236 5.219 5.261 0.061 4 0 "[ . 1 . 2]" 1
1584 1 100 ALA H 1 102 GLU H . . 6.500 4.533 4.293 4.812 . 0 0 "[ . 1 . 2]" 1
1585 1 100 ALA H 1 103 PHE H . . 6.500 4.770 4.699 4.849 . 0 0 "[ . 1 . 2]" 1
1586 1 100 ALA HA 1 103 PHE HA . . 6.500 5.439 5.250 5.800 . 0 0 "[ . 1 . 2]" 1
1587 1 100 ALA HA 1 103 PHE QB . . 6.100 2.626 2.389 3.190 . 0 0 "[ . 1 . 2]" 1
1588 1 100 ALA HA 1 104 GLN H . . 5.100 3.814 3.499 3.989 . 0 0 "[ . 1 . 2]" 1
1589 1 100 ALA MB 1 101 GLU H . . 3.400 2.547 2.349 2.702 . 0 0 "[ . 1 . 2]" 1
1590 1 100 ALA MB 1 101 GLU HA . . 4.900 3.837 3.541 4.072 . 0 0 "[ . 1 . 2]" 1
1591 1 100 ALA MB 1 103 PHE H . . 5.600 4.676 4.607 4.704 . 0 0 "[ . 1 . 2]" 1
1592 1 100 ALA MB 1 104 GLN H . . 6.500 4.324 4.204 4.427 . 0 0 "[ . 1 . 2]" 1
1593 1 101 GLU H 1 102 GLU H . . 4.100 2.967 2.806 3.183 . 0 0 "[ . 1 . 2]" 1
1594 1 101 GLU H 1 103 PHE H . . 5.600 4.193 3.977 4.405 . 0 0 "[ . 1 . 2]" 1
1595 1 101 GLU H 1 104 GLN H . . 6.500 4.684 4.558 4.780 . 0 0 "[ . 1 . 2]" 1
1596 1 101 GLU HA 1 101 GLU QG . . 3.700 2.422 2.089 3.356 . 0 0 "[ . 1 . 2]" 1
1597 1 101 GLU HA 1 104 GLN QB . . 6.600 2.793 2.366 3.095 . 0 0 "[ . 1 . 2]" 1
1598 1 101 GLU QG 1 103 PHE QB . . 8.500 6.195 5.310 6.553 . 0 0 "[ . 1 . 2]" 1
1599 1 102 GLU H 1 102 GLU QG . . 4.600 2.239 1.914 3.134 . 0 0 "[ . 1 . 2]" 1
1600 1 102 GLU H 1 103 PHE H . . 4.200 2.967 2.838 3.172 . 0 0 "[ . 1 . 2]" 1
1601 1 102 GLU H 1 104 GLN H . . 5.200 4.532 4.235 4.742 . 0 0 "[ . 1 . 2]" 1
1602 1 102 GLU H 1 105 GLU H . . 6.500 4.759 4.617 4.920 . 0 0 "[ . 1 . 2]" 1
1603 1 102 GLU HA 1 104 GLN H . . 5.000 4.815 4.585 5.003 0.003 14 0 "[ . 1 . 2]" 1
1604 1 102 GLU QG 1 105 GLU QG . . 8.500 4.956 4.344 5.442 . 0 0 "[ . 1 . 2]" 1
1605 1 103 PHE H 1 104 GLN H . . 4.200 2.823 2.638 3.045 . 0 0 "[ . 1 . 2]" 1
1606 1 103 PHE H 1 105 GLU H . . 6.000 4.212 3.951 4.436 . 0 0 "[ . 1 . 2]" 1
1607 1 103 PHE H 1 105 GLU QB . . 6.900 4.811 4.512 5.155 . 0 0 "[ . 1 . 2]" 1
1608 1 103 PHE H 1 106 MET H . . 6.500 4.893 4.728 5.054 . 0 0 "[ . 1 . 2]" 1
1609 1 103 PHE HA 1 107 VAL H . . 6.100 3.927 3.743 4.122 . 0 0 "[ . 1 . 2]" 1
1610 1 103 PHE HA 1 107 VAL QG . . 9.060 3.654 3.339 4.109 . 0 0 "[ . 1 . 2]" 1
1611 1 103 PHE QB 1 104 GLN QB . . 8.500 3.885 3.625 4.236 . 0 0 "[ . 1 . 2]" 1
1612 1 104 GLN H 1 105 GLU H . . 3.900 2.772 2.650 2.888 . 0 0 "[ . 1 . 2]" 1
1613 1 104 GLN H 1 107 VAL QG . . 8.460 4.618 4.318 4.849 . 0 0 "[ . 1 . 2]" 1
1614 1 104 GLN HA 1 104 GLN QG . . 3.680 2.333 2.066 3.113 . 0 0 "[ . 1 . 2]" 1
1615 1 104 GLN HA 1 107 VAL H . . 5.500 3.557 3.326 3.727 . 0 0 "[ . 1 . 2]" 1
1616 1 104 GLN HA 1 107 VAL HB . . 4.000 2.489 2.196 2.748 . 0 0 "[ . 1 . 2]" 1
1617 1 104 GLN HA 1 107 VAL MG1 . . 7.000 3.732 3.451 4.028 . 0 0 "[ . 1 . 2]" 1
1618 1 104 GLN HA 1 107 VAL QG . . 6.280 3.313 3.020 3.605 . 0 0 "[ . 1 . 2]" 1
1619 1 104 GLN HA 1 107 VAL MG2 . . 7.000 3.714 3.240 4.066 . 0 0 "[ . 1 . 2]" 1
1620 1 104 GLN HA 1 108 HIS H . . 5.900 3.697 3.026 4.107 . 0 0 "[ . 1 . 2]" 1
1621 1 104 GLN HA 1 108 HIS HA . . 5.400 5.443 5.345 5.473 0.073 14 0 "[ . 1 . 2]" 1
1622 1 104 GLN QB 1 107 VAL HB . . 6.700 4.592 4.210 4.835 . 0 0 "[ . 1 . 2]" 1
1623 1 104 GLN QB 1 107 VAL QG . . 10.060 4.598 4.210 4.882 . 0 0 "[ . 1 . 2]" 1
1624 1 104 GLN QE 1 105 GLU HA . . 7.370 5.159 2.912 6.572 . 0 0 "[ . 1 . 2]" 1
1625 1 104 GLN QE 1 108 HIS QB . . 8.240 3.799 1.860 5.636 . 0 0 "[ . 1 . 2]" 1
1626 1 104 GLN QG 1 105 GLU H . . 7.380 3.954 3.324 4.483 . 0 0 "[ . 1 . 2]" 1
1627 1 104 GLN QG 1 105 GLU HA . . 6.280 4.274 3.554 5.604 . 0 0 "[ . 1 . 2]" 1
1628 1 104 GLN QG 1 107 VAL HB . . 5.880 4.034 3.728 4.578 . 0 0 "[ . 1 . 2]" 1
1629 1 104 GLN QG 1 107 VAL QG . . 9.940 4.035 3.712 4.506 . 0 0 "[ . 1 . 2]" 1
1630 1 104 GLN QG 1 108 HIS QB . . 7.320 2.783 2.342 3.407 . 0 0 "[ . 1 . 2]" 1
1631 1 104 GLN QG 1 109 SER H . . 6.980 6.129 5.613 6.322 . 0 0 "[ . 1 . 2]" 1
1632 1 104 GLN HG2 1 108 HIS HB2 . . 8.250 2.977 2.467 4.283 . 0 0 "[ . 1 . 2]" 1
1633 1 104 GLN HG2 1 108 HIS HB3 . . 8.250 4.105 3.146 5.638 . 0 0 "[ . 1 . 2]" 1
1634 1 104 GLN HG3 1 108 HIS HB2 . . 8.250 4.094 2.922 5.020 . 0 0 "[ . 1 . 2]" 1
1635 1 104 GLN HG3 1 108 HIS HB3 . . 8.250 5.371 3.994 6.192 . 0 0 "[ . 1 . 2]" 1
1636 1 105 GLU H 1 105 GLU QG . . 5.100 2.788 2.234 3.931 . 0 0 "[ . 1 . 2]" 1
1637 1 105 GLU H 1 106 MET H . . 4.300 2.929 2.752 3.094 . 0 0 "[ . 1 . 2]" 1
1638 1 105 GLU H 1 107 VAL H . . 5.600 4.299 4.043 4.574 . 0 0 "[ . 1 . 2]" 1
1639 1 105 GLU H 1 108 HIS H . . 5.700 4.636 4.479 4.749 . 0 0 "[ . 1 . 2]" 1
1640 1 105 GLU HA 1 108 HIS HB2 . . 5.100 4.000 3.209 4.747 . 0 0 "[ . 1 . 2]" 1
1641 1 105 GLU HA 1 108 HIS HB3 . . 5.100 2.955 2.484 3.664 . 0 0 "[ . 1 . 2]" 1
1642 1 105 GLU QB 1 107 VAL H . . 7.200 4.619 4.506 4.835 . 0 0 "[ . 1 . 2]" 1
1643 1 105 GLU QB 1 107 VAL QG . . 10.060 5.550 5.424 5.685 . 0 0 "[ . 1 . 2]" 1
1644 1 105 GLU QB 1 109 SER H . . 7.500 5.399 4.537 6.161 . 0 0 "[ . 1 . 2]" 1
1645 1 105 GLU QG 1 106 MET H . . 6.700 4.227 4.120 4.423 . 0 0 "[ . 1 . 2]" 1
1646 1 105 GLU QG 1 109 SER QB . . 8.500 6.256 5.441 6.763 . 0 0 "[ . 1 . 2]" 1
1647 1 106 MET H 1 107 VAL H . . 3.700 2.765 2.716 2.881 . 0 0 "[ . 1 . 2]" 1
1648 1 106 MET H 1 107 VAL MG1 . . 7.100 5.921 5.841 5.939 . 0 0 "[ . 1 . 2]" 1
1649 1 106 MET H 1 107 VAL QG . . 6.530 4.296 4.117 4.464 . 0 0 "[ . 1 . 2]" 1
1650 1 106 MET H 1 107 VAL MG2 . . 7.100 4.412 4.198 4.617 . 0 0 "[ . 1 . 2]" 1
1651 1 106 MET HA 1 109 SER QB . . 5.600 3.119 2.443 4.812 . 0 0 "[ . 1 . 2]" 1
1652 1 107 VAL H 1 107 VAL HB . . 4.100 2.358 2.290 2.398 . 0 0 "[ . 1 . 2]" 1
1653 1 107 VAL H 1 107 VAL MG1 . . 4.600 3.727 3.698 3.757 . 0 0 "[ . 1 . 2]" 1
1654 1 107 VAL H 1 107 VAL QG . . 3.730 2.293 2.203 2.419 . 0 0 "[ . 1 . 2]" 1
1655 1 107 VAL H 1 107 VAL MG2 . . 4.600 2.315 2.219 2.451 . 0 0 "[ . 1 . 2]" 1
1656 1 107 VAL H 1 108 HIS H . . 4.400 2.778 2.689 2.913 . 0 0 "[ . 1 . 2]" 1
1657 1 107 VAL HA 1 109 SER H . . 5.700 3.895 3.441 4.634 . 0 0 "[ . 1 . 2]" 1
1658 1 107 VAL HA 1 109 SER QB . . 5.600 4.473 4.202 4.737 . 0 0 "[ . 1 . 2]" 1
1659 1 107 VAL HB 1 108 HIS HA . . 6.300 4.590 4.252 5.054 . 0 0 "[ . 1 . 2]" 1
1660 1 107 VAL HB 1 108 HIS HB2 . . 6.500 4.441 3.942 5.046 . 0 0 "[ . 1 . 2]" 1
1661 1 107 VAL HB 1 108 HIS HB3 . . 6.500 5.148 4.610 5.656 . 0 0 "[ . 1 . 2]" 1
1662 1 107 VAL HB 1 109 SER QB . . 7.500 6.176 5.806 6.426 . 0 0 "[ . 1 . 2]" 1
1663 1 107 VAL QG 1 108 HIS H . . 5.120 3.287 2.586 3.715 . 0 0 "[ . 1 . 2]" 1
1664 1 107 VAL QG 1 108 HIS HA . . 7.130 3.343 2.789 3.974 . 0 0 "[ . 1 . 2]" 1
1665 1 107 VAL QG 1 108 HIS QB . . 9.020 3.857 3.305 4.384 . 0 0 "[ . 1 . 2]" 1
1666 1 107 VAL QG 1 109 SER H . . 6.210 4.344 4.209 4.488 . 0 0 "[ . 1 . 2]" 1
1667 1 107 VAL MG1 1 108 HIS H . . 5.500 3.466 2.631 4.061 . 0 0 "[ . 1 . 2]" 1
1668 1 107 VAL MG1 1 108 HIS HA . . 7.500 3.377 2.800 4.054 . 0 0 "[ . 1 . 2]" 1
1669 1 107 VAL MG1 1 108 HIS HB2 . . 10.620 4.167 3.467 4.911 . 0 0 "[ . 1 . 2]" 1
1670 1 107 VAL MG1 1 108 HIS HB3 . . 10.620 5.068 4.449 5.628 . 0 0 "[ . 1 . 2]" 1
1671 1 107 VAL MG1 1 109 SER H . . 6.500 4.651 4.449 4.844 . 0 0 "[ . 1 . 2]" 1
1672 1 107 VAL MG2 1 108 HIS H . . 5.500 4.142 3.810 4.362 . 0 0 "[ . 1 . 2]" 1
1673 1 107 VAL MG2 1 108 HIS HA . . 7.500 5.473 5.221 5.713 . 0 0 "[ . 1 . 2]" 1
1674 1 107 VAL MG2 1 108 HIS HB2 . . 10.620 5.722 5.372 6.073 . 0 0 "[ . 1 . 2]" 1
1675 1 107 VAL MG2 1 108 HIS HB3 . . 10.620 6.116 5.824 6.361 . 0 0 "[ . 1 . 2]" 1
1676 1 107 VAL MG2 1 109 SER H . . 6.500 5.222 4.988 5.455 . 0 0 "[ . 1 . 2]" 1
1677 1 108 HIS H 1 108 HIS HB2 . . 4.100 2.573 2.328 2.753 . 0 0 "[ . 1 . 2]" 1
1678 1 108 HIS H 1 108 HIS QB . . 3.850 2.207 2.094 2.397 . 0 0 "[ . 1 . 2]" 1
1679 1 108 HIS H 1 108 HIS HB3 . . 4.100 2.432 2.186 2.725 . 0 0 "[ . 1 . 2]" 1
1680 1 108 HIS H 1 109 SER H . . 3.700 2.532 2.365 2.787 . 0 0 "[ . 1 . 2]" 1
1681 1 108 HIS H 1 109 SER HA . . 5.000 4.951 4.694 5.073 0.073 19 0 "[ . 1 . 2]" 1
1682 1 108 HIS H 1 109 SER QB . . 5.900 4.206 3.980 4.736 . 0 0 "[ . 1 . 2]" 1
1683 1 108 HIS HA 1 109 SER HA . . 5.300 4.886 4.742 5.324 0.024 20 0 "[ . 1 . 2]" 1
1684 1 108 HIS QB 1 109 SER HA . . 5.630 4.290 3.962 4.405 . 0 0 "[ . 1 . 2]" 1
1685 1 108 HIS HB2 1 109 SER H . . 4.600 4.207 3.802 4.484 . 0 0 "[ . 1 . 2]" 1
1686 1 108 HIS HB2 1 109 SER HA . . 5.800 5.748 5.511 5.837 0.037 18 0 "[ . 1 . 2]" 1
1687 1 108 HIS HB3 1 109 SER H . . 4.600 3.239 2.568 4.009 . 0 0 "[ . 1 . 2]" 1
1688 1 108 HIS HB3 1 109 SER HA . . 5.800 4.429 4.062 4.582 . 0 0 "[ . 1 . 2]" 1
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