NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
403505 |
1wjr   |
10031 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wjr
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 2326
_Distance_constraint_stats_list.Viol_count 998
_Distance_constraint_stats_list.Viol_total 258.028
_Distance_constraint_stats_list.Viol_max 0.164
_Distance_constraint_stats_list.Viol_rms 0.0031
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0129
_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 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 PRO 0.017 0.008 1 0 "[ . 1 . 2]"
1 9 ILE 0.122 0.073 1 0 "[ . 1 . 2]"
1 10 ASP 0.002 0.002 1 0 "[ . 1 . 2]"
1 11 LEU 0.000 0.000 8 0 "[ . 1 . 2]"
1 12 ILE 0.071 0.006 17 0 "[ . 1 . 2]"
1 13 THR 0.015 0.009 16 0 "[ . 1 . 2]"
1 14 VAL 0.038 0.009 16 0 "[ . 1 . 2]"
1 15 GLY 0.043 0.008 18 0 "[ . 1 . 2]"
1 16 SER 0.056 0.011 3 0 "[ . 1 . 2]"
1 17 LEU 0.130 0.028 16 0 "[ . 1 . 2]"
1 18 ILE 0.050 0.017 5 0 "[ . 1 . 2]"
1 19 GLU 0.301 0.083 11 0 "[ . 1 . 2]"
1 20 LEU 0.124 0.020 14 0 "[ . 1 . 2]"
1 21 GLN 0.034 0.014 14 0 "[ . 1 . 2]"
1 22 ASP 0.135 0.043 12 0 "[ . 1 . 2]"
1 23 SER 0.015 0.009 2 0 "[ . 1 . 2]"
1 24 GLN 0.194 0.020 9 0 "[ . 1 . 2]"
1 25 ASN 0.243 0.043 12 0 "[ . 1 . 2]"
1 26 PRO 0.027 0.013 16 0 "[ . 1 . 2]"
1 27 PHE 0.081 0.050 12 0 "[ . 1 . 2]"
1 28 GLN 0.326 0.084 10 0 "[ . 1 . 2]"
1 29 TYR 0.096 0.084 10 0 "[ . 1 . 2]"
1 30 TRP 0.170 0.036 10 0 "[ . 1 . 2]"
1 31 ILE 0.179 0.034 14 0 "[ . 1 . 2]"
1 32 VAL 0.147 0.021 8 0 "[ . 1 . 2]"
1 33 SER 0.252 0.028 12 0 "[ . 1 . 2]"
1 34 VAL 0.208 0.028 12 0 "[ . 1 . 2]"
1 35 ILE 0.105 0.021 15 0 "[ . 1 . 2]"
1 36 GLU 0.087 0.011 3 0 "[ . 1 . 2]"
1 37 ASN 0.025 0.006 1 0 "[ . 1 . 2]"
1 38 VAL 0.052 0.017 18 0 "[ . 1 . 2]"
1 39 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLY 0.306 0.035 11 0 "[ . 1 . 2]"
1 41 ARG 0.388 0.035 11 0 "[ . 1 . 2]"
1 42 LEU 0.219 0.028 17 0 "[ . 1 . 2]"
1 43 ARG 0.106 0.021 15 0 "[ . 1 . 2]"
1 44 LEU 0.143 0.017 16 0 "[ . 1 . 2]"
1 45 ARG 0.026 0.010 16 0 "[ . 1 . 2]"
1 46 TYR 0.056 0.018 14 0 "[ . 1 . 2]"
1 47 VAL 0.119 0.015 3 0 "[ . 1 . 2]"
1 48 GLY 0.075 0.016 18 0 "[ . 1 . 2]"
1 49 LEU 0.224 0.074 13 0 "[ . 1 . 2]"
1 50 GLU 0.033 0.013 16 0 "[ . 1 . 2]"
1 51 ASP 0.015 0.012 15 0 "[ . 1 . 2]"
1 52 THR 0.021 0.006 9 0 "[ . 1 . 2]"
1 53 GLU 0.011 0.006 9 0 "[ . 1 . 2]"
1 54 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 TYR 0.106 0.014 11 0 "[ . 1 . 2]"
1 56 ASP 0.036 0.010 13 0 "[ . 1 . 2]"
1 57 GLN 0.130 0.020 12 0 "[ . 1 . 2]"
1 58 TRP 0.650 0.050 15 0 "[ . 1 . 2]"
1 59 LEU 0.827 0.050 15 0 "[ . 1 . 2]"
1 60 PHE 0.360 0.034 16 0 "[ . 1 . 2]"
1 61 TYR 0.176 0.073 1 0 "[ . 1 . 2]"
1 62 LEU 0.478 0.052 19 0 "[ . 1 . 2]"
1 63 ASP 0.406 0.052 19 0 "[ . 1 . 2]"
1 64 TYR 0.187 0.036 19 0 "[ . 1 . 2]"
1 65 ARG 0.305 0.050 10 0 "[ . 1 . 2]"
1 66 LEU 0.098 0.050 10 0 "[ . 1 . 2]"
1 67 ARG 0.042 0.027 16 0 "[ . 1 . 2]"
1 68 PRO 0.157 0.068 10 0 "[ . 1 . 2]"
1 69 VAL 0.290 0.083 11 0 "[ . 1 . 2]"
1 70 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 TRP 0.044 0.016 8 0 "[ . 1 . 2]"
1 72 CYS 0.082 0.027 18 0 "[ . 1 . 2]"
1 73 GLN 0.643 0.164 15 0 "[ . 1 . 2]"
1 74 GLU 0.284 0.164 15 0 "[ . 1 . 2]"
1 75 ASN 0.114 0.033 16 0 "[ . 1 . 2]"
1 76 LYS 0.290 0.130 20 0 "[ . 1 . 2]"
1 77 TYR 0.116 0.036 10 0 "[ . 1 . 2]"
1 78 ARG 0.235 0.037 10 0 "[ . 1 . 2]"
1 79 MET 0.491 0.106 14 0 "[ . 1 . 2]"
1 80 ASP 0.017 0.008 10 0 "[ . 1 . 2]"
1 81 PRO 0.079 0.031 3 0 "[ . 1 . 2]"
1 82 PRO 0.115 0.028 14 0 "[ . 1 . 2]"
1 83 SER 0.066 0.022 3 0 "[ . 1 . 2]"
1 84 GLU 0.225 0.058 3 0 "[ . 1 . 2]"
1 85 ILE 0.272 0.058 3 0 "[ . 1 . 2]"
1 86 TYR 1.130 0.060 19 0 "[ . 1 . 2]"
1 87 PRO 0.070 0.017 10 0 "[ . 1 . 2]"
1 88 LEU 0.995 0.050 3 0 "[ . 1 . 2]"
1 89 LYS 0.895 0.074 13 0 "[ . 1 . 2]"
1 90 MET 0.406 0.059 7 0 "[ . 1 . 2]"
1 91 ALA 0.044 0.013 19 0 "[ . 1 . 2]"
1 92 SER 0.029 0.011 2 0 "[ . 1 . 2]"
1 93 GLU 0.450 0.059 16 0 "[ . 1 . 2]"
1 94 TRP 2.061 0.060 19 0 "[ . 1 . 2]"
1 95 LYS 0.250 0.035 3 0 "[ . 1 . 2]"
1 96 CYS 0.090 0.025 16 0 "[ . 1 . 2]"
1 97 THR 0.474 0.037 12 0 "[ . 1 . 2]"
1 98 LEU 0.468 0.037 12 0 "[ . 1 . 2]"
1 99 GLU 0.055 0.019 9 0 "[ . 1 . 2]"
1 100 LYS 0.042 0.019 9 0 "[ . 1 . 2]"
1 101 SER 0.027 0.012 6 0 "[ . 1 . 2]"
1 102 LEU 0.071 0.013 16 0 "[ . 1 . 2]"
1 103 ILE 0.039 0.013 16 0 "[ . 1 . 2]"
1 104 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 ALA 0.002 0.002 16 0 "[ . 1 . 2]"
1 106 ALA 0.002 0.002 13 0 "[ . 1 . 2]"
1 107 LYS 0.046 0.008 18 0 "[ . 1 . 2]"
1 108 PHE 0.859 0.051 13 0 "[ . 1 . 2]"
1 109 PRO 0.836 0.051 13 0 "[ . 1 . 2]"
1 110 LEU 0.078 0.030 16 0 "[ . 1 . 2]"
1 111 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 MET 0.298 0.085 8 0 "[ . 1 . 2]"
1 113 GLU 0.044 0.043 9 0 "[ . 1 . 2]"
1 114 VAL 0.010 0.004 7 0 "[ . 1 . 2]"
1 115 PHE 0.022 0.003 18 0 "[ . 1 . 2]"
1 116 LYS 0.054 0.043 9 0 "[ . 1 . 2]"
1 117 ASP 0.000 0.000 3 0 "[ . 1 . 2]"
1 118 HIS 0.044 0.019 14 0 "[ . 1 . 2]"
1 119 ALA 0.010 0.006 14 0 "[ . 1 . 2]"
1 120 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 LEU 0.567 0.135 14 0 "[ . 1 . 2]"
1 122 SER 0.126 0.028 8 0 "[ . 1 . 2]"
1 123 GLY 0.103 0.028 8 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 7 GLY QA 1 8 PRO QD . . 2.660 1.947 1.859 2.032 . 0 0 "[ . 1 . 2]" 1
2 1 8 PRO HA 1 9 ILE H . . 3.560 3.533 3.439 3.562 0.002 16 0 "[ . 1 . 2]" 1
3 1 8 PRO HA 1 11 LEU H . . 4.200 3.196 3.116 3.292 . 0 0 "[ . 1 . 2]" 1
4 1 8 PRO HA 1 11 LEU HB3 . . 4.690 4.230 4.008 4.425 . 0 0 "[ . 1 . 2]" 1
5 1 8 PRO HA 1 11 LEU MD1 . . 3.320 2.102 1.909 2.372 . 0 0 "[ . 1 . 2]" 1
6 1 8 PRO HA 1 11 LEU HG . . 3.760 2.142 2.002 2.351 . 0 0 "[ . 1 . 2]" 1
7 1 8 PRO HA 1 114 VAL HA . . 3.990 3.793 3.127 3.978 . 0 0 "[ . 1 . 2]" 1
8 1 8 PRO HA 1 114 VAL MG1 . . 4.610 4.290 3.932 4.456 . 0 0 "[ . 1 . 2]" 1
9 1 8 PRO HB2 1 9 ILE H . . 3.700 3.258 3.062 3.664 . 0 0 "[ . 1 . 2]" 1
10 1 8 PRO HB2 1 9 ILE HA . . 4.780 4.060 3.979 4.219 . 0 0 "[ . 1 . 2]" 1
11 1 8 PRO HB2 1 11 LEU H . . 5.070 4.921 4.752 5.070 0.000 8 0 "[ . 1 . 2]" 1
12 1 8 PRO HB2 1 11 LEU MD1 . . 3.990 3.552 3.286 3.856 . 0 0 "[ . 1 . 2]" 1
13 1 8 PRO HB2 1 61 TYR HB2 . . 4.540 4.057 3.605 4.540 . 0 0 "[ . 1 . 2]" 1
14 1 8 PRO HB2 1 61 TYR QD . . 4.570 3.241 2.891 3.852 . 0 0 "[ . 1 . 2]" 1
15 1 8 PRO HB2 1 61 TYR QE . . 3.970 3.764 3.446 3.978 0.008 1 0 "[ . 1 . 2]" 1
16 1 8 PRO HB2 1 114 VAL HA . . 3.710 3.470 3.006 3.712 0.002 6 0 "[ . 1 . 2]" 1
17 1 8 PRO HB2 1 114 VAL MG1 . . 4.510 3.003 2.558 3.263 . 0 0 "[ . 1 . 2]" 1
18 1 8 PRO HB3 1 9 ILE H . . 4.650 4.096 3.984 4.333 . 0 0 "[ . 1 . 2]" 1
19 1 8 PRO HB3 1 11 LEU HB2 . . 4.590 4.430 4.271 4.577 . 0 0 "[ . 1 . 2]" 1
20 1 8 PRO HB3 1 114 VAL HA . . 3.700 3.047 2.442 3.254 . 0 0 "[ . 1 . 2]" 1
21 1 8 PRO HB3 1 114 VAL MG1 . . 3.870 3.711 3.359 3.874 0.004 7 0 "[ . 1 . 2]" 1
22 1 8 PRO QD 1 9 ILE H . . 3.780 2.618 2.602 2.691 . 0 0 "[ . 1 . 2]" 1
23 1 8 PRO QD 1 61 TYR QE . . 4.580 3.584 3.294 3.990 . 0 0 "[ . 1 . 2]" 1
24 1 8 PRO HD2 1 9 ILE H . . 4.430 2.664 2.647 2.743 . 0 0 "[ . 1 . 2]" 1
25 1 8 PRO HD3 1 9 ILE H . . 4.430 3.843 3.836 3.894 . 0 0 "[ . 1 . 2]" 1
26 1 8 PRO QG 1 9 ILE H . . 4.100 2.269 2.056 2.788 . 0 0 "[ . 1 . 2]" 1
27 1 8 PRO QG 1 9 ILE MD . . 4.200 3.973 3.179 4.169 . 0 0 "[ . 1 . 2]" 1
28 1 8 PRO QG 1 9 ILE QG . . 4.270 2.730 2.568 2.950 . 0 0 "[ . 1 . 2]" 1
29 1 8 PRO QG 1 62 LEU HG . . 5.350 4.385 4.020 4.792 . 0 0 "[ . 1 . 2]" 1
30 1 8 PRO QG 1 114 VAL MG1 . . 4.940 4.428 4.084 4.672 . 0 0 "[ . 1 . 2]" 1
31 1 8 PRO HG2 1 9 ILE H . . 4.810 2.287 2.067 2.828 . 0 0 "[ . 1 . 2]" 1
32 1 8 PRO HG2 1 61 TYR QE . . 4.460 2.427 1.993 3.013 . 0 0 "[ . 1 . 2]" 1
33 1 8 PRO HG3 1 9 ILE H . . 4.810 3.820 3.657 4.224 . 0 0 "[ . 1 . 2]" 1
34 1 8 PRO HG3 1 61 TYR QE . . 4.460 2.364 2.026 3.005 . 0 0 "[ . 1 . 2]" 1
35 1 9 ILE H 1 9 ILE HB . . 3.050 2.650 2.499 2.701 . 0 0 "[ . 1 . 2]" 1
36 1 9 ILE H 1 9 ILE MD . . 3.790 3.414 3.250 3.622 . 0 0 "[ . 1 . 2]" 1
37 1 9 ILE H 1 9 ILE HG12 . . 3.550 3.188 2.100 3.428 . 0 0 "[ . 1 . 2]" 1
38 1 9 ILE H 1 9 ILE QG . . 2.980 1.925 1.881 2.146 . 0 0 "[ . 1 . 2]" 1
39 1 9 ILE H 1 9 ILE HG13 . . 3.550 2.072 1.892 3.564 0.014 1 0 "[ . 1 . 2]" 1
40 1 9 ILE H 1 9 ILE MG . . 3.840 3.774 3.758 3.784 . 0 0 "[ . 1 . 2]" 1
41 1 9 ILE H 1 10 ASP QB . . 5.090 4.722 4.484 5.015 . 0 0 "[ . 1 . 2]" 1
42 1 9 ILE HA 1 9 ILE HG12 . . 3.850 2.645 2.556 3.004 . 0 0 "[ . 1 . 2]" 1
43 1 9 ILE HA 1 9 ILE QG . . 3.380 2.465 2.391 2.884 . 0 0 "[ . 1 . 2]" 1
44 1 9 ILE HA 1 9 ILE HG13 . . 3.850 2.968 2.780 3.730 . 0 0 "[ . 1 . 2]" 1
45 1 9 ILE HA 1 9 ILE MG . . 3.110 2.437 2.367 2.477 . 0 0 "[ . 1 . 2]" 1
46 1 9 ILE HA 1 11 LEU H . . 4.560 4.453 4.217 4.558 . 0 0 "[ . 1 . 2]" 1
47 1 9 ILE HA 1 12 ILE H . . 4.640 3.738 3.510 3.878 . 0 0 "[ . 1 . 2]" 1
48 1 9 ILE HA 1 12 ILE MD . . 3.620 3.158 2.929 3.386 . 0 0 "[ . 1 . 2]" 1
49 1 9 ILE HA 1 37 ASN HD21 . . 4.950 4.565 4.243 4.946 . 0 0 "[ . 1 . 2]" 1
50 1 9 ILE HA 1 37 ASN HD22 . . 4.860 3.301 2.949 3.564 . 0 0 "[ . 1 . 2]" 1
51 1 9 ILE HA 1 42 LEU MD1 . . 5.290 4.876 4.514 5.114 . 0 0 "[ . 1 . 2]" 1
52 1 9 ILE HB 1 9 ILE MD . . 3.360 2.338 2.169 3.221 . 0 0 "[ . 1 . 2]" 1
53 1 9 ILE HB 1 10 ASP H . . 3.850 2.457 2.246 2.706 . 0 0 "[ . 1 . 2]" 1
54 1 9 ILE HB 1 61 TYR QE . . 5.350 5.026 4.523 5.341 . 0 0 "[ . 1 . 2]" 1
55 1 9 ILE MD 1 39 GLY HA2 . . 3.990 3.147 2.589 3.589 . 0 0 "[ . 1 . 2]" 1
56 1 9 ILE MD 1 40 GLY H . . 4.370 3.512 2.634 3.960 . 0 0 "[ . 1 . 2]" 1
57 1 9 ILE MD 1 40 GLY HA2 . . 3.920 3.205 1.877 3.779 . 0 0 "[ . 1 . 2]" 1
58 1 9 ILE MD 1 40 GLY HA3 . . 3.850 2.818 2.059 3.434 . 0 0 "[ . 1 . 2]" 1
59 1 9 ILE MD 1 41 ARG H . . 5.500 4.899 4.106 5.359 . 0 0 "[ . 1 . 2]" 1
60 1 9 ILE MD 1 60 PHE HZ . . 4.270 3.279 2.453 4.091 . 0 0 "[ . 1 . 2]" 1
61 1 9 ILE MD 1 61 TYR QD . . 4.470 3.789 2.029 4.411 . 0 0 "[ . 1 . 2]" 1
62 1 9 ILE MD 1 61 TYR QE . . 3.630 2.584 1.800 3.066 . 0 0 "[ . 1 . 2]" 1
63 1 9 ILE QG 1 9 ILE MG . . 3.320 2.186 2.080 2.475 . 0 0 "[ . 1 . 2]" 1
64 1 9 ILE QG 1 40 GLY HA2 . . 4.530 2.595 2.041 4.055 . 0 0 "[ . 1 . 2]" 1
65 1 9 ILE QG 1 40 GLY HA3 . . 4.310 2.980 2.363 4.035 . 0 0 "[ . 1 . 2]" 1
66 1 9 ILE QG 1 61 TYR QD . . 4.830 2.971 2.310 3.933 . 0 0 "[ . 1 . 2]" 1
67 1 9 ILE QG 1 61 TYR QE . . 4.000 2.487 1.947 2.822 . 0 0 "[ . 1 . 2]" 1
68 1 9 ILE HG12 1 61 TYR QE . . 4.710 2.667 2.110 3.056 . 0 0 "[ . 1 . 2]" 1
69 1 9 ILE HG13 1 61 TYR QE . . 4.710 3.004 2.284 3.560 . 0 0 "[ . 1 . 2]" 1
70 1 9 ILE MG 1 10 ASP H . . 4.040 3.327 3.164 3.554 . 0 0 "[ . 1 . 2]" 1
71 1 9 ILE MG 1 10 ASP HA . . 4.370 3.422 3.227 3.614 . 0 0 "[ . 1 . 2]" 1
72 1 9 ILE MG 1 11 LEU H . . 5.010 4.923 4.797 5.010 . 0 0 "[ . 1 . 2]" 1
73 1 9 ILE MG 1 12 ILE HB . . 4.630 4.135 3.836 4.519 . 0 0 "[ . 1 . 2]" 1
74 1 9 ILE MG 1 37 ASN HB3 . . 5.020 4.790 4.382 5.022 0.002 1 0 "[ . 1 . 2]" 1
75 1 9 ILE MG 1 37 ASN HD21 . . 3.740 3.468 3.131 3.746 0.006 1 0 "[ . 1 . 2]" 1
76 1 9 ILE MG 1 37 ASN HD22 . . 3.520 2.046 1.777 2.384 . 0 0 "[ . 1 . 2]" 1
77 1 9 ILE MG 1 39 GLY HA2 . . 3.890 2.968 2.584 3.417 . 0 0 "[ . 1 . 2]" 1
78 1 9 ILE MG 1 39 GLY HA3 . . 5.000 4.327 3.987 4.709 . 0 0 "[ . 1 . 2]" 1
79 1 9 ILE MG 1 40 GLY H . . 3.530 2.472 1.921 2.830 . 0 0 "[ . 1 . 2]" 1
80 1 9 ILE MG 1 40 GLY HA2 . . 3.580 2.596 1.994 3.381 . 0 0 "[ . 1 . 2]" 1
81 1 9 ILE MG 1 40 GLY HA3 . . 3.920 3.495 2.899 3.937 0.017 1 0 "[ . 1 . 2]" 1
82 1 9 ILE MG 1 41 ARG H . . 4.850 4.475 4.010 4.850 0.000 1 0 "[ . 1 . 2]" 1
83 1 9 ILE MG 1 61 TYR QD . . 4.650 4.163 3.569 4.608 . 0 0 "[ . 1 . 2]" 1
84 1 9 ILE MG 1 61 TYR QE . . 4.390 4.271 3.903 4.463 0.073 1 0 "[ . 1 . 2]" 1
85 1 10 ASP H 1 10 ASP HB2 . . 3.680 2.419 2.205 2.795 . 0 0 "[ . 1 . 2]" 1
86 1 10 ASP H 1 10 ASP HB3 . . 3.680 2.798 2.293 3.587 . 0 0 "[ . 1 . 2]" 1
87 1 10 ASP H 1 11 LEU H . . 3.280 2.701 2.412 2.806 . 0 0 "[ . 1 . 2]" 1
88 1 10 ASP H 1 12 ILE H . . 4.570 4.356 4.262 4.459 . 0 0 "[ . 1 . 2]" 1
89 1 10 ASP HA 1 11 LEU MD2 . . 5.500 5.401 5.213 5.498 . 0 0 "[ . 1 . 2]" 1
90 1 10 ASP HA 1 12 ILE H . . 4.380 4.269 4.134 4.382 0.002 1 0 "[ . 1 . 2]" 1
91 1 10 ASP HA 1 37 ASN HD22 . . 5.110 4.853 4.293 5.110 . 0 0 "[ . 1 . 2]" 1
92 1 10 ASP QB 1 11 LEU H . . 3.790 2.591 2.480 2.877 . 0 0 "[ . 1 . 2]" 1
93 1 10 ASP QB 1 11 LEU MD2 . . 4.000 3.557 3.227 3.881 . 0 0 "[ . 1 . 2]" 1
94 1 10 ASP HB2 1 11 LEU H . . 4.580 3.618 2.566 4.036 . 0 0 "[ . 1 . 2]" 1
95 1 10 ASP HB3 1 11 LEU H . . 4.580 2.769 2.512 3.519 . 0 0 "[ . 1 . 2]" 1
96 1 11 LEU H 1 11 LEU HB2 . . 3.220 2.586 2.509 2.649 . 0 0 "[ . 1 . 2]" 1
97 1 11 LEU H 1 11 LEU HB3 . . 3.660 3.589 3.584 3.596 . 0 0 "[ . 1 . 2]" 1
98 1 11 LEU H 1 11 LEU MD2 . . 3.410 2.996 2.836 3.148 . 0 0 "[ . 1 . 2]" 1
99 1 11 LEU H 1 11 LEU HG . . 3.130 2.127 2.016 2.285 . 0 0 "[ . 1 . 2]" 1
100 1 11 LEU H 1 12 ILE H . . 3.140 2.858 2.641 2.970 . 0 0 "[ . 1 . 2]" 1
101 1 11 LEU HA 1 11 LEU MD2 . . 2.750 2.063 1.964 2.142 . 0 0 "[ . 1 . 2]" 1
102 1 11 LEU HA 1 11 LEU HG . . 3.700 3.201 3.163 3.283 . 0 0 "[ . 1 . 2]" 1
103 1 11 LEU HA 1 13 THR MG . . 4.440 4.248 4.089 4.357 . 0 0 "[ . 1 . 2]" 1
104 1 11 LEU HA 1 114 VAL MG2 . . 4.550 4.022 3.802 4.265 . 0 0 "[ . 1 . 2]" 1
105 1 11 LEU HB2 1 11 LEU MD1 . . 3.340 2.302 2.219 2.419 . 0 0 "[ . 1 . 2]" 1
106 1 11 LEU HB2 1 11 LEU MD2 . . 3.380 3.193 3.188 3.195 . 0 0 "[ . 1 . 2]" 1
107 1 11 LEU HB2 1 12 ILE H . . 3.470 2.522 2.412 2.630 . 0 0 "[ . 1 . 2]" 1
108 1 11 LEU HB2 1 111 PRO HD2 . . 5.300 4.890 4.558 5.214 . 0 0 "[ . 1 . 2]" 1
109 1 11 LEU HB2 1 114 VAL MG1 . . 4.750 3.384 3.272 3.621 . 0 0 "[ . 1 . 2]" 1
110 1 11 LEU HB2 1 114 VAL MG2 . . 3.080 2.149 1.955 2.468 . 0 0 "[ . 1 . 2]" 1
111 1 11 LEU HB3 1 11 LEU MD1 . . 3.290 2.370 2.233 2.450 . 0 0 "[ . 1 . 2]" 1
112 1 11 LEU HB3 1 11 LEU MD2 . . 3.110 2.385 2.337 2.454 . 0 0 "[ . 1 . 2]" 1
113 1 11 LEU HB3 1 12 ILE H . . 4.390 3.611 3.455 3.716 . 0 0 "[ . 1 . 2]" 1
114 1 11 LEU HB3 1 111 PRO HD2 . . 4.590 3.485 3.077 3.836 . 0 0 "[ . 1 . 2]" 1
115 1 11 LEU HB3 1 111 PRO HG2 . . 4.350 2.685 2.273 3.075 . 0 0 "[ . 1 . 2]" 1
116 1 11 LEU HB3 1 111 PRO HG3 . . 4.260 3.355 2.878 3.831 . 0 0 "[ . 1 . 2]" 1
117 1 11 LEU HB3 1 113 GLU HB2 . . 4.780 4.490 4.142 4.755 . 0 0 "[ . 1 . 2]" 1
118 1 11 LEU HB3 1 114 VAL MG1 . . 4.340 4.064 3.731 4.321 . 0 0 "[ . 1 . 2]" 1
119 1 11 LEU MD1 1 12 ILE H . . 4.870 4.453 4.333 4.569 . 0 0 "[ . 1 . 2]" 1
120 1 11 LEU MD1 1 111 PRO HB2 . . 4.490 3.844 3.461 4.184 . 0 0 "[ . 1 . 2]" 1
121 1 11 LEU MD1 1 111 PRO HB3 . . 5.500 4.975 4.654 5.320 . 0 0 "[ . 1 . 2]" 1
122 1 11 LEU MD1 1 111 PRO HD2 . . 4.850 4.585 4.271 4.823 . 0 0 "[ . 1 . 2]" 1
123 1 11 LEU MD1 1 111 PRO HG2 . . 3.780 2.925 2.589 3.219 . 0 0 "[ . 1 . 2]" 1
124 1 11 LEU MD1 1 113 GLU HB2 . . 4.340 2.272 1.965 2.485 . 0 0 "[ . 1 . 2]" 1
125 1 11 LEU MD1 1 113 GLU HB3 . . 4.250 2.684 2.225 2.890 . 0 0 "[ . 1 . 2]" 1
126 1 11 LEU MD1 1 113 GLU HG2 . . 4.800 4.563 4.194 4.765 . 0 0 "[ . 1 . 2]" 1
127 1 11 LEU MD1 1 113 GLU HG3 . . 4.890 4.295 3.937 4.531 . 0 0 "[ . 1 . 2]" 1
128 1 11 LEU MD1 1 114 VAL HA . . 4.610 2.257 1.965 2.477 . 0 0 "[ . 1 . 2]" 1
129 1 11 LEU MD2 1 12 ILE H . . 4.640 4.593 4.527 4.639 . 0 0 "[ . 1 . 2]" 1
130 1 11 LEU MD2 1 111 PRO HB2 . . 5.020 4.144 3.680 4.594 . 0 0 "[ . 1 . 2]" 1
131 1 11 LEU MD2 1 111 PRO HB3 . . 5.500 4.600 4.161 5.033 . 0 0 "[ . 1 . 2]" 1
132 1 11 LEU MD2 1 111 PRO HD2 . . 5.080 4.524 4.099 4.852 . 0 0 "[ . 1 . 2]" 1
133 1 11 LEU MD2 1 111 PRO HG2 . . 4.240 3.159 2.787 3.577 . 0 0 "[ . 1 . 2]" 1
134 1 11 LEU MD2 1 111 PRO HG3 . . 3.540 2.921 2.497 3.323 . 0 0 "[ . 1 . 2]" 1
135 1 12 ILE H 1 12 ILE HB . . 3.610 2.423 2.342 2.474 . 0 0 "[ . 1 . 2]" 1
136 1 12 ILE H 1 12 ILE MD . . 3.500 3.336 3.189 3.500 0.000 17 0 "[ . 1 . 2]" 1
137 1 12 ILE H 1 12 ILE HG13 . . 3.270 2.476 2.349 2.660 . 0 0 "[ . 1 . 2]" 1
138 1 12 ILE H 1 12 ILE MG . . 3.800 3.747 3.710 3.765 . 0 0 "[ . 1 . 2]" 1
139 1 12 ILE H 1 37 ASN HD21 . . 5.140 4.882 4.595 5.071 . 0 0 "[ . 1 . 2]" 1
140 1 12 ILE H 1 37 ASN HD22 . . 5.020 4.792 4.387 5.014 . 0 0 "[ . 1 . 2]" 1
141 1 12 ILE H 1 110 LEU MD2 . . 4.430 4.066 3.586 4.378 . 0 0 "[ . 1 . 2]" 1
142 1 12 ILE H 1 114 VAL MG2 . . 3.750 3.524 3.249 3.751 0.001 1 0 "[ . 1 . 2]" 1
143 1 12 ILE HA 1 12 ILE HG12 . . 3.520 2.721 2.628 2.803 . 0 0 "[ . 1 . 2]" 1
144 1 12 ILE HA 1 12 ILE HG13 . . 3.940 2.662 2.553 2.750 . 0 0 "[ . 1 . 2]" 1
145 1 12 ILE HA 1 12 ILE MG . . 3.110 2.401 2.337 2.467 . 0 0 "[ . 1 . 2]" 1
146 1 12 ILE HA 1 13 THR H . . 2.840 2.206 2.154 2.284 . 0 0 "[ . 1 . 2]" 1
147 1 12 ILE HA 1 13 THR MG . . 4.020 3.574 3.432 3.713 . 0 0 "[ . 1 . 2]" 1
148 1 12 ILE HA 1 110 LEU MD1 . . 3.670 2.457 1.971 2.740 . 0 0 "[ . 1 . 2]" 1
149 1 12 ILE HA 1 110 LEU MD2 . . 3.240 2.146 1.815 2.383 . 0 0 "[ . 1 . 2]" 1
150 1 12 ILE HA 1 114 VAL MG1 . . 4.640 4.203 4.029 4.513 . 0 0 "[ . 1 . 2]" 1
151 1 12 ILE HB 1 12 ILE MD . . 3.140 2.240 2.100 2.332 . 0 0 "[ . 1 . 2]" 1
152 1 12 ILE HB 1 37 ASN HD21 . . 3.620 3.082 2.873 3.412 . 0 0 "[ . 1 . 2]" 1
153 1 12 ILE HB 1 37 ASN HD22 . . 3.750 3.352 3.148 3.627 . 0 0 "[ . 1 . 2]" 1
154 1 12 ILE MD 1 37 ASN HD21 . . 4.740 4.202 3.619 4.639 . 0 0 "[ . 1 . 2]" 1
155 1 12 ILE MD 1 37 ASN HD22 . . 4.420 4.152 3.884 4.366 . 0 0 "[ . 1 . 2]" 1
156 1 12 ILE MD 1 61 TYR H . . 4.410 4.268 4.003 4.416 0.006 17 0 "[ . 1 . 2]" 1
157 1 12 ILE MD 1 61 TYR HA . . 3.950 3.398 3.109 3.777 . 0 0 "[ . 1 . 2]" 1
158 1 12 ILE MD 1 61 TYR HB2 . . 3.730 2.307 2.082 2.464 . 0 0 "[ . 1 . 2]" 1
159 1 12 ILE MD 1 61 TYR HB3 . . 3.590 2.477 2.263 2.668 . 0 0 "[ . 1 . 2]" 1
160 1 12 ILE MD 1 61 TYR QD . . 3.620 3.505 3.150 3.623 0.003 12 0 "[ . 1 . 2]" 1
161 1 12 ILE MD 1 61 TYR QE . . 5.170 4.986 4.573 5.172 0.002 3 0 "[ . 1 . 2]" 1
162 1 12 ILE MD 1 114 VAL MG1 . . 3.350 2.026 1.798 2.315 . 0 0 "[ . 1 . 2]" 1
163 1 12 ILE HG12 1 13 THR H . . 4.400 4.199 3.988 4.365 . 0 0 "[ . 1 . 2]" 1
164 1 12 ILE HG12 1 16 SER QB . . 4.130 4.125 4.101 4.135 0.005 12 0 "[ . 1 . 2]" 1
165 1 12 ILE HG12 1 110 LEU MD1 . . 3.190 2.171 1.936 2.369 . 0 0 "[ . 1 . 2]" 1
166 1 12 ILE HG12 1 110 LEU MD2 . . 3.930 3.575 3.229 3.903 . 0 0 "[ . 1 . 2]" 1
167 1 12 ILE HG12 1 114 VAL MG1 . . 4.170 2.587 2.339 2.946 . 0 0 "[ . 1 . 2]" 1
168 1 12 ILE HG12 1 115 PHE QE . . 4.180 4.173 4.125 4.183 0.003 18 0 "[ . 1 . 2]" 1
169 1 12 ILE HG13 1 114 VAL MG1 . . 3.720 2.114 1.982 2.338 . 0 0 "[ . 1 . 2]" 1
170 1 12 ILE MG 1 13 THR H . . 3.560 2.164 1.902 2.425 . 0 0 "[ . 1 . 2]" 1
171 1 12 ILE MG 1 13 THR HA . . 4.450 3.402 3.278 3.557 . 0 0 "[ . 1 . 2]" 1
172 1 12 ILE MG 1 13 THR MG . . 4.270 4.096 3.984 4.217 . 0 0 "[ . 1 . 2]" 1
173 1 12 ILE MG 1 14 VAL H . . 4.720 4.132 3.880 4.361 . 0 0 "[ . 1 . 2]" 1
174 1 12 ILE MG 1 14 VAL HA . . 4.720 4.187 3.985 4.350 . 0 0 "[ . 1 . 2]" 1
175 1 12 ILE MG 1 16 SER QB . . 3.930 2.735 2.496 3.480 . 0 0 "[ . 1 . 2]" 1
176 1 12 ILE MG 1 37 ASN HB2 . . 3.760 3.285 3.033 3.521 . 0 0 "[ . 1 . 2]" 1
177 1 12 ILE MG 1 37 ASN HB3 . . 4.620 4.333 4.010 4.614 . 0 0 "[ . 1 . 2]" 1
178 1 12 ILE MG 1 37 ASN HD21 . . 3.890 2.553 2.019 2.923 . 0 0 "[ . 1 . 2]" 1
179 1 12 ILE MG 1 37 ASN HD22 . . 4.150 3.670 3.146 3.965 . 0 0 "[ . 1 . 2]" 1
180 1 12 ILE MG 1 110 LEU MD1 . . 3.340 2.460 2.118 2.910 . 0 0 "[ . 1 . 2]" 1
181 1 13 THR H 1 13 THR HB . . 3.960 3.867 3.807 3.918 . 0 0 "[ . 1 . 2]" 1
182 1 13 THR H 1 13 THR HG1 . . 3.590 2.546 2.435 2.640 . 0 0 "[ . 1 . 2]" 1
183 1 13 THR H 1 13 THR MG . . 3.270 2.953 2.829 3.073 . 0 0 "[ . 1 . 2]" 1
184 1 13 THR H 1 14 VAL H . . 4.490 4.324 4.226 4.403 . 0 0 "[ . 1 . 2]" 1
185 1 13 THR H 1 110 LEU MD1 . . 3.530 2.937 2.663 3.166 . 0 0 "[ . 1 . 2]" 1
186 1 13 THR H 1 110 LEU MD2 . . 3.640 2.664 2.261 2.927 . 0 0 "[ . 1 . 2]" 1
187 1 13 THR HA 1 13 THR MG . . 2.980 2.352 2.278 2.448 . 0 0 "[ . 1 . 2]" 1
188 1 13 THR HA 1 14 VAL H . . 2.870 2.181 2.149 2.220 . 0 0 "[ . 1 . 2]" 1
189 1 13 THR HA 1 14 VAL HA . . 4.730 4.331 4.314 4.357 . 0 0 "[ . 1 . 2]" 1
190 1 13 THR HA 1 14 VAL HB . . 4.870 4.689 4.640 4.722 . 0 0 "[ . 1 . 2]" 1
191 1 13 THR HA 1 14 VAL MG1 . . 4.020 3.802 3.680 3.908 . 0 0 "[ . 1 . 2]" 1
192 1 13 THR HB 1 14 VAL H . . 3.290 3.093 2.913 3.299 0.009 16 0 "[ . 1 . 2]" 1
193 1 13 THR HB 1 14 VAL MG1 . . 4.270 3.317 3.096 3.495 . 0 0 "[ . 1 . 2]" 1
194 1 13 THR HG1 1 15 GLY H . . 5.500 5.359 5.132 5.458 . 0 0 "[ . 1 . 2]" 1
195 1 13 THR HG1 1 16 SER H . . 3.580 3.273 3.153 3.412 . 0 0 "[ . 1 . 2]" 1
196 1 13 THR HG1 1 16 SER HA . . 4.570 4.451 4.247 4.571 0.001 1 0 "[ . 1 . 2]" 1
197 1 13 THR HG1 1 16 SER QB . . 3.930 3.680 2.773 3.929 . 0 0 "[ . 1 . 2]" 1
198 1 13 THR HG1 1 34 VAL MG1 . . 5.500 5.314 5.148 5.470 . 0 0 "[ . 1 . 2]" 1
199 1 13 THR HG1 1 110 LEU MD1 . . 4.660 4.426 4.123 4.653 . 0 0 "[ . 1 . 2]" 1
200 1 13 THR HG1 1 110 LEU MD2 . . 4.550 3.498 3.175 3.673 . 0 0 "[ . 1 . 2]" 1
201 1 13 THR MG 1 14 VAL H . . 3.990 3.942 3.874 3.993 0.003 13 0 "[ . 1 . 2]" 1
202 1 14 VAL H 1 14 VAL HB . . 3.030 2.543 2.497 2.583 . 0 0 "[ . 1 . 2]" 1
203 1 14 VAL H 1 14 VAL MG1 . . 2.980 2.228 2.077 2.421 . 0 0 "[ . 1 . 2]" 1
204 1 14 VAL H 1 14 VAL MG2 . . 3.990 3.779 3.771 3.788 . 0 0 "[ . 1 . 2]" 1
205 1 14 VAL H 1 15 GLY H . . 4.560 4.546 4.494 4.568 0.008 18 0 "[ . 1 . 2]" 1
206 1 14 VAL H 1 34 VAL MG1 . . 4.570 3.673 3.493 3.850 . 0 0 "[ . 1 . 2]" 1
207 1 14 VAL HA 1 14 VAL MG1 . . 3.340 3.195 3.182 3.203 . 0 0 "[ . 1 . 2]" 1
208 1 14 VAL HA 1 14 VAL MG2 . . 3.030 2.390 2.288 2.466 . 0 0 "[ . 1 . 2]" 1
209 1 14 VAL HA 1 15 GLY H . . 3.010 2.164 2.145 2.175 . 0 0 "[ . 1 . 2]" 1
210 1 14 VAL HA 1 15 GLY HA2 . . 5.100 4.428 4.394 4.440 . 0 0 "[ . 1 . 2]" 1
211 1 14 VAL HA 1 16 SER H . . 3.730 3.636 3.529 3.733 0.003 16 0 "[ . 1 . 2]" 1
212 1 14 VAL HA 1 34 VAL HB . . 3.670 2.830 2.672 3.012 . 0 0 "[ . 1 . 2]" 1
213 1 14 VAL HA 1 34 VAL MG1 . . 3.270 1.957 1.809 2.179 . 0 0 "[ . 1 . 2]" 1
214 1 14 VAL HA 1 34 VAL MG2 . . 4.530 3.974 3.777 4.176 . 0 0 "[ . 1 . 2]" 1
215 1 14 VAL HB 1 15 GLY H . . 4.380 4.137 4.093 4.252 . 0 0 "[ . 1 . 2]" 1
216 1 14 VAL MG1 1 15 GLY H . . 4.360 4.018 3.947 4.106 . 0 0 "[ . 1 . 2]" 1
217 1 14 VAL MG1 1 15 GLY HA3 . . 4.970 3.981 3.861 4.103 . 0 0 "[ . 1 . 2]" 1
218 1 14 VAL MG1 1 16 SER H . . 5.180 4.664 4.529 4.825 . 0 0 "[ . 1 . 2]" 1
219 1 14 VAL MG1 1 37 ASN HB3 . . 4.950 4.844 4.551 4.948 . 0 0 "[ . 1 . 2]" 1
220 1 14 VAL MG2 1 15 GLY H . . 3.360 2.398 2.193 2.640 . 0 0 "[ . 1 . 2]" 1
221 1 14 VAL MG2 1 15 GLY HA2 . . 4.550 3.318 3.217 3.524 . 0 0 "[ . 1 . 2]" 1
222 1 14 VAL MG2 1 15 GLY HA3 . . 5.200 3.494 3.365 3.731 . 0 0 "[ . 1 . 2]" 1
223 1 14 VAL MG2 1 16 SER H . . 5.040 4.455 4.329 4.593 . 0 0 "[ . 1 . 2]" 1
224 1 14 VAL MG2 1 34 VAL HB . . 4.280 3.906 3.683 4.154 . 0 0 "[ . 1 . 2]" 1
225 1 14 VAL MG2 1 35 ILE HA . . 3.810 3.187 2.971 3.375 . 0 0 "[ . 1 . 2]" 1
226 1 14 VAL MG2 1 36 GLU H . . 4.850 4.076 3.816 4.295 . 0 0 "[ . 1 . 2]" 1
227 1 14 VAL MG2 1 36 GLU HA . . 3.610 2.854 2.597 3.100 . 0 0 "[ . 1 . 2]" 1
228 1 14 VAL MG2 1 37 ASN H . . 4.280 4.200 3.753 4.282 0.002 9 0 "[ . 1 . 2]" 1
229 1 15 GLY H 1 16 SER H . . 3.300 2.774 2.517 2.909 . 0 0 "[ . 1 . 2]" 1
230 1 15 GLY H 1 33 SER HA . . 5.500 5.477 5.317 5.507 0.007 3 0 "[ . 1 . 2]" 1
231 1 15 GLY H 1 34 VAL H . . 4.140 3.707 3.595 3.877 . 0 0 "[ . 1 . 2]" 1
232 1 15 GLY H 1 34 VAL HB . . 3.590 1.961 1.898 2.164 . 0 0 "[ . 1 . 2]" 1
233 1 15 GLY H 1 34 VAL MG1 . . 3.610 2.650 2.401 2.882 . 0 0 "[ . 1 . 2]" 1
234 1 15 GLY H 1 34 VAL MG2 . . 4.100 3.697 3.630 3.863 . 0 0 "[ . 1 . 2]" 1
235 1 15 GLY HA2 1 34 VAL H . . 4.580 4.181 3.977 4.497 . 0 0 "[ . 1 . 2]" 1
236 1 16 SER H 1 16 SER QB . . 3.050 2.469 2.130 2.777 . 0 0 "[ . 1 . 2]" 1
237 1 16 SER H 1 34 VAL H . . 4.260 4.170 4.002 4.259 . 0 0 "[ . 1 . 2]" 1
238 1 16 SER H 1 34 VAL HB . . 3.300 2.782 2.602 2.958 . 0 0 "[ . 1 . 2]" 1
239 1 16 SER H 1 34 VAL MG1 . . 4.140 3.871 3.682 4.077 . 0 0 "[ . 1 . 2]" 1
240 1 16 SER H 1 34 VAL MG2 . . 3.620 3.426 3.261 3.614 . 0 0 "[ . 1 . 2]" 1
241 1 16 SER H 1 110 LEU MD1 . . 4.960 4.433 4.219 4.698 . 0 0 "[ . 1 . 2]" 1
242 1 16 SER H 1 110 LEU MD2 . . 5.500 4.959 4.611 5.363 . 0 0 "[ . 1 . 2]" 1
243 1 16 SER H 1 110 LEU HG . . 5.500 5.407 5.189 5.509 0.009 16 0 "[ . 1 . 2]" 1
244 1 16 SER HA 1 17 LEU H . . 2.940 2.170 2.139 2.292 . 0 0 "[ . 1 . 2]" 1
245 1 16 SER HA 1 17 LEU HB2 . . 4.390 4.221 4.127 4.302 . 0 0 "[ . 1 . 2]" 1
246 1 16 SER HA 1 34 VAL MG2 . . 4.610 4.270 4.105 4.421 . 0 0 "[ . 1 . 2]" 1
247 1 16 SER HA 1 110 LEU MD1 . . 4.580 3.996 3.776 4.518 . 0 0 "[ . 1 . 2]" 1
248 1 16 SER HA 1 110 LEU MD2 . . 5.270 4.583 4.043 5.246 . 0 0 "[ . 1 . 2]" 1
249 1 16 SER QB 1 17 LEU H . . 3.360 3.192 2.929 3.371 0.011 3 0 "[ . 1 . 2]" 1
250 1 16 SER QB 1 34 VAL H . . 4.480 3.989 3.745 4.456 . 0 0 "[ . 1 . 2]" 1
251 1 16 SER QB 1 34 VAL MG2 . . 4.070 2.221 1.981 2.913 . 0 0 "[ . 1 . 2]" 1
252 1 16 SER QB 1 110 LEU MD1 . . 3.580 1.900 1.751 2.475 . 0 0 "[ . 1 . 2]" 1
253 1 16 SER QB 1 110 LEU HG . . 4.040 2.542 2.178 3.203 . 0 0 "[ . 1 . 2]" 1
254 1 17 LEU H 1 17 LEU HB2 . . 3.070 2.384 2.293 2.504 . 0 0 "[ . 1 . 2]" 1
255 1 17 LEU H 1 17 LEU HB3 . . 3.690 2.791 2.746 2.842 . 0 0 "[ . 1 . 2]" 1
256 1 17 LEU H 1 17 LEU MD1 . . 3.840 3.814 3.686 3.868 0.028 16 0 "[ . 1 . 2]" 1
257 1 17 LEU H 1 17 LEU MD2 . . 4.530 4.321 4.252 4.413 . 0 0 "[ . 1 . 2]" 1
258 1 17 LEU H 1 17 LEU HG . . 4.620 4.570 4.536 4.615 . 0 0 "[ . 1 . 2]" 1
259 1 17 LEU H 1 18 ILE H . . 4.570 4.539 4.454 4.576 0.006 18 0 "[ . 1 . 2]" 1
260 1 17 LEU H 1 105 ALA MB . . 5.090 4.441 3.984 4.820 . 0 0 "[ . 1 . 2]" 1
261 1 17 LEU HA 1 17 LEU MD1 . . 2.830 2.209 1.997 2.455 . 0 0 "[ . 1 . 2]" 1
262 1 17 LEU HA 1 17 LEU MD2 . . 4.030 3.836 3.828 3.850 . 0 0 "[ . 1 . 2]" 1
263 1 17 LEU HA 1 17 LEU HG . . 4.220 2.707 2.594 2.771 . 0 0 "[ . 1 . 2]" 1
264 1 17 LEU HA 1 18 ILE H . . 2.870 2.176 2.155 2.195 . 0 0 "[ . 1 . 2]" 1
265 1 17 LEU HA 1 18 ILE MD . . 5.170 4.520 3.892 4.968 . 0 0 "[ . 1 . 2]" 1
266 1 17 LEU HA 1 18 ILE HG12 . . 5.180 4.389 3.267 5.137 . 0 0 "[ . 1 . 2]" 1
267 1 17 LEU HA 1 18 ILE QG . . 4.420 3.382 3.228 3.559 . 0 0 "[ . 1 . 2]" 1
268 1 17 LEU HA 1 18 ILE HG13 . . 5.180 4.042 3.343 5.174 . 0 0 "[ . 1 . 2]" 1
269 1 17 LEU HA 1 31 ILE MG . . 4.540 4.305 4.028 4.502 . 0 0 "[ . 1 . 2]" 1
270 1 17 LEU HA 1 32 VAL H . . 5.220 4.850 4.659 4.995 . 0 0 "[ . 1 . 2]" 1
271 1 17 LEU HA 1 32 VAL MG2 . . 5.130 4.486 4.279 4.674 . 0 0 "[ . 1 . 2]" 1
272 1 17 LEU HA 1 34 VAL H . . 4.710 3.333 3.252 3.437 . 0 0 "[ . 1 . 2]" 1
273 1 17 LEU HA 1 69 VAL MG2 . . 4.880 4.368 3.885 4.798 . 0 0 "[ . 1 . 2]" 1
274 1 17 LEU HB2 1 17 LEU MD1 . . 3.080 2.235 2.097 2.351 . 0 0 "[ . 1 . 2]" 1
275 1 17 LEU HB2 1 17 LEU MD2 . . 3.200 2.482 2.407 2.616 . 0 0 "[ . 1 . 2]" 1
276 1 17 LEU HB2 1 18 ILE H . . 4.520 4.323 4.278 4.394 . 0 0 "[ . 1 . 2]" 1
277 1 17 LEU HB2 1 33 SER QB . . 4.840 4.224 3.899 4.407 . 0 0 "[ . 1 . 2]" 1
278 1 17 LEU HB2 1 34 VAL H . . 5.500 5.488 5.392 5.510 0.010 3 0 "[ . 1 . 2]" 1
279 1 17 LEU HB2 1 105 ALA H . . 4.750 4.401 3.973 4.660 . 0 0 "[ . 1 . 2]" 1
280 1 17 LEU HB2 1 105 ALA HA . . 4.140 3.153 2.747 3.364 . 0 0 "[ . 1 . 2]" 1
281 1 17 LEU HB2 1 105 ALA MB . . 4.370 3.453 2.969 3.801 . 0 0 "[ . 1 . 2]" 1
282 1 17 LEU HB3 1 17 LEU MD1 . . 3.390 3.170 3.142 3.185 . 0 0 "[ . 1 . 2]" 1
283 1 17 LEU HB3 1 17 LEU MD2 . . 3.550 2.225 2.033 2.302 . 0 0 "[ . 1 . 2]" 1
284 1 17 LEU HB3 1 18 ILE H . . 3.990 3.836 3.735 3.901 . 0 0 "[ . 1 . 2]" 1
285 1 17 LEU HB3 1 69 VAL MG2 . . 3.410 2.656 2.015 3.076 . 0 0 "[ . 1 . 2]" 1
286 1 17 LEU HB3 1 105 ALA MB . . 4.310 2.446 1.992 2.849 . 0 0 "[ . 1 . 2]" 1
287 1 17 LEU MD1 1 18 ILE H . . 3.530 3.297 3.151 3.520 . 0 0 "[ . 1 . 2]" 1
288 1 17 LEU MD1 1 32 VAL H . . 4.560 3.803 3.629 3.992 . 0 0 "[ . 1 . 2]" 1
289 1 17 LEU MD1 1 32 VAL HA . . 3.980 3.727 3.581 3.943 . 0 0 "[ . 1 . 2]" 1
290 1 17 LEU MD1 1 33 SER H . . 3.950 3.742 3.548 3.891 . 0 0 "[ . 1 . 2]" 1
291 1 17 LEU MD1 1 33 SER HA . . 3.260 2.571 2.297 2.867 . 0 0 "[ . 1 . 2]" 1
292 1 17 LEU MD1 1 33 SER HB2 . . 3.430 1.919 1.801 2.023 . 0 0 "[ . 1 . 2]" 1
293 1 17 LEU MD1 1 33 SER QB . . 2.970 1.907 1.792 2.008 . 0 0 "[ . 1 . 2]" 1
294 1 17 LEU MD1 1 33 SER HB3 . . 3.430 3.324 3.184 3.413 . 0 0 "[ . 1 . 2]" 1
295 1 17 LEU MD1 1 34 VAL H . . 4.540 4.208 4.025 4.485 . 0 0 "[ . 1 . 2]" 1
296 1 17 LEU MD1 1 101 SER QB . . 4.020 2.743 2.244 3.677 . 0 0 "[ . 1 . 2]" 1
297 1 17 LEU MD1 1 104 ASP HB2 . . 4.420 3.727 3.416 4.000 . 0 0 "[ . 1 . 2]" 1
298 1 17 LEU MD1 1 104 ASP HB3 . . 5.120 3.974 3.780 4.251 . 0 0 "[ . 1 . 2]" 1
299 1 17 LEU MD1 1 105 ALA H . . 4.730 4.586 4.346 4.728 . 0 0 "[ . 1 . 2]" 1
300 1 17 LEU MD2 1 18 ILE H . . 4.840 4.279 4.093 4.437 . 0 0 "[ . 1 . 2]" 1
301 1 17 LEU MD2 1 32 VAL H . . 4.870 4.591 4.304 4.825 . 0 0 "[ . 1 . 2]" 1
302 1 17 LEU MD2 1 101 SER HA . . 3.900 3.178 2.741 3.464 . 0 0 "[ . 1 . 2]" 1
303 1 17 LEU MD2 1 101 SER HB2 . . 4.030 3.095 1.877 4.028 . 0 0 "[ . 1 . 2]" 1
304 1 17 LEU MD2 1 101 SER QB . . 3.430 2.058 1.866 3.063 . 0 0 "[ . 1 . 2]" 1
305 1 17 LEU MD2 1 101 SER HB3 . . 4.030 2.463 1.959 3.684 . 0 0 "[ . 1 . 2]" 1
306 1 17 LEU MD2 1 102 LEU H . . 4.670 3.832 3.582 4.013 . 0 0 "[ . 1 . 2]" 1
307 1 17 LEU MD2 1 102 LEU HA . . 4.800 3.131 2.861 3.367 . 0 0 "[ . 1 . 2]" 1
308 1 17 LEU MD2 1 104 ASP HB2 . . 3.570 3.040 2.687 3.299 . 0 0 "[ . 1 . 2]" 1
309 1 17 LEU MD2 1 104 ASP HB3 . . 3.940 3.663 3.398 3.919 . 0 0 "[ . 1 . 2]" 1
310 1 17 LEU MD2 1 105 ALA H . . 3.730 2.625 2.390 2.919 . 0 0 "[ . 1 . 2]" 1
311 1 17 LEU MD2 1 105 ALA HA . . 3.500 3.042 2.595 3.373 . 0 0 "[ . 1 . 2]" 1
312 1 17 LEU MD2 1 105 ALA MB . . 2.970 1.903 1.792 2.043 . 0 0 "[ . 1 . 2]" 1
313 1 17 LEU HG 1 32 VAL H . . 4.540 3.595 3.331 3.814 . 0 0 "[ . 1 . 2]" 1
314 1 17 LEU HG 1 33 SER HA . . 4.930 4.035 3.822 4.220 . 0 0 "[ . 1 . 2]" 1
315 1 17 LEU HG 1 33 SER QB . . 4.770 4.183 3.849 4.369 . 0 0 "[ . 1 . 2]" 1
316 1 18 ILE H 1 18 ILE HB . . 3.500 2.941 2.860 3.050 . 0 0 "[ . 1 . 2]" 1
317 1 18 ILE H 1 18 ILE MD . . 4.320 3.978 3.581 4.319 . 0 0 "[ . 1 . 2]" 1
318 1 18 ILE H 1 18 ILE HG12 . . 4.210 3.603 2.522 4.208 . 0 0 "[ . 1 . 2]" 1
319 1 18 ILE H 1 18 ILE QG . . 3.470 2.788 2.497 2.970 . 0 0 "[ . 1 . 2]" 1
320 1 18 ILE H 1 18 ILE HG13 . . 4.210 3.333 2.698 4.156 . 0 0 "[ . 1 . 2]" 1
321 1 18 ILE H 1 31 ILE HA . . 5.120 4.991 4.805 5.116 . 0 0 "[ . 1 . 2]" 1
322 1 18 ILE H 1 31 ILE MG . . 3.940 3.741 3.377 3.936 . 0 0 "[ . 1 . 2]" 1
323 1 18 ILE H 1 32 VAL H . . 3.650 3.277 3.090 3.429 . 0 0 "[ . 1 . 2]" 1
324 1 18 ILE H 1 32 VAL MG2 . . 3.950 2.916 2.646 3.086 . 0 0 "[ . 1 . 2]" 1
325 1 18 ILE H 1 33 SER HA . . 4.430 3.041 2.842 3.205 . 0 0 "[ . 1 . 2]" 1
326 1 18 ILE HA 1 18 ILE MD . . 4.070 3.347 2.231 3.947 . 0 0 "[ . 1 . 2]" 1
327 1 18 ILE HA 1 18 ILE QG . . 3.130 2.687 2.457 3.087 . 0 0 "[ . 1 . 2]" 1
328 1 18 ILE HA 1 18 ILE MG . . 3.270 2.238 2.065 2.377 . 0 0 "[ . 1 . 2]" 1
329 1 18 ILE HA 1 19 GLU H . . 3.210 2.334 2.222 2.410 . 0 0 "[ . 1 . 2]" 1
330 1 18 ILE HA 1 19 GLU QB . . 4.300 4.229 4.172 4.317 0.017 5 0 "[ . 1 . 2]" 1
331 1 18 ILE HA 1 31 ILE MG . . 5.280 4.819 4.429 5.147 . 0 0 "[ . 1 . 2]" 1
332 1 18 ILE HA 1 69 VAL MG2 . . 3.270 2.701 2.347 3.063 . 0 0 "[ . 1 . 2]" 1
333 1 18 ILE HA 1 115 PHE QE . . 5.270 4.828 4.545 5.035 . 0 0 "[ . 1 . 2]" 1
334 1 18 ILE HA 1 115 PHE HZ . . 5.490 4.572 4.136 4.841 . 0 0 "[ . 1 . 2]" 1
335 1 18 ILE HB 1 18 ILE MD . . 3.350 2.670 2.289 3.215 . 0 0 "[ . 1 . 2]" 1
336 1 18 ILE HB 1 19 GLU H . . 4.110 3.570 3.382 3.881 . 0 0 "[ . 1 . 2]" 1
337 1 18 ILE HB 1 32 VAL H . . 5.130 4.661 4.521 4.897 . 0 0 "[ . 1 . 2]" 1
338 1 18 ILE HB 1 32 VAL MG2 . . 3.250 2.755 2.455 2.987 . 0 0 "[ . 1 . 2]" 1
339 1 18 ILE HB 1 69 VAL MG2 . . 5.500 5.007 4.574 5.502 0.002 10 0 "[ . 1 . 2]" 1
340 1 18 ILE MD 1 18 ILE MG . . 2.970 1.969 1.879 2.085 . 0 0 "[ . 1 . 2]" 1
341 1 18 ILE MD 1 19 GLU H . . 4.810 4.399 3.632 4.824 0.014 18 0 "[ . 1 . 2]" 1
342 1 18 ILE MD 1 33 SER HA . . 5.500 5.105 4.882 5.467 . 0 0 "[ . 1 . 2]" 1
343 1 18 ILE MD 1 115 PHE QE . . 4.300 3.069 2.896 3.493 . 0 0 "[ . 1 . 2]" 1
344 1 18 ILE MD 1 115 PHE HZ . . 4.210 2.404 1.873 3.356 . 0 0 "[ . 1 . 2]" 1
345 1 18 ILE QG 1 18 ILE MG . . 3.150 2.300 2.244 2.398 . 0 0 "[ . 1 . 2]" 1
346 1 18 ILE QG 1 33 SER HA . . 4.550 4.259 3.768 4.522 . 0 0 "[ . 1 . 2]" 1
347 1 18 ILE QG 1 34 VAL H . . 4.380 3.947 3.317 4.299 . 0 0 "[ . 1 . 2]" 1
348 1 18 ILE QG 1 66 LEU MD2 . . 4.240 3.655 2.650 4.222 . 0 0 "[ . 1 . 2]" 1
349 1 18 ILE QG 1 115 PHE QE . . 5.340 3.929 3.446 4.590 . 0 0 "[ . 1 . 2]" 1
350 1 18 ILE QG 1 115 PHE HZ . . 4.520 2.934 2.151 3.975 . 0 0 "[ . 1 . 2]" 1
351 1 18 ILE MG 1 19 GLU H . . 3.130 1.912 1.826 2.043 . 0 0 "[ . 1 . 2]" 1
352 1 18 ILE MG 1 19 GLU QB . . 4.040 3.443 3.318 3.578 . 0 0 "[ . 1 . 2]" 1
353 1 18 ILE MG 1 66 LEU HA . . 3.890 2.720 2.178 3.273 . 0 0 "[ . 1 . 2]" 1
354 1 18 ILE MG 1 66 LEU HB2 . . 4.350 4.064 3.723 4.331 . 0 0 "[ . 1 . 2]" 1
355 1 18 ILE MG 1 66 LEU MD2 . . 2.900 2.066 1.792 2.574 . 0 0 "[ . 1 . 2]" 1
356 1 18 ILE MG 1 67 ARG H . . 3.710 2.662 2.158 3.591 . 0 0 "[ . 1 . 2]" 1
357 1 18 ILE MG 1 69 VAL H . . 4.980 4.335 3.875 4.629 . 0 0 "[ . 1 . 2]" 1
358 1 18 ILE MG 1 115 PHE QE . . 3.620 3.225 2.835 3.507 . 0 0 "[ . 1 . 2]" 1
359 1 18 ILE MG 1 115 PHE HZ . . 3.750 2.727 2.067 3.203 . 0 0 "[ . 1 . 2]" 1
360 1 19 GLU H 1 19 GLU QB . . 3.480 2.234 2.176 2.279 . 0 0 "[ . 1 . 2]" 1
361 1 19 GLU H 1 19 GLU QG . . 3.850 3.141 2.866 3.727 . 0 0 "[ . 1 . 2]" 1
362 1 19 GLU H 1 66 LEU MD2 . . 4.790 4.506 3.792 4.796 0.006 16 0 "[ . 1 . 2]" 1
363 1 19 GLU H 1 67 ARG H . . 4.100 3.259 2.711 4.018 . 0 0 "[ . 1 . 2]" 1
364 1 19 GLU H 1 69 VAL HA . . 4.880 4.597 3.954 4.888 0.008 10 0 "[ . 1 . 2]" 1
365 1 19 GLU H 1 69 VAL MG2 . . 3.980 3.201 2.482 3.789 . 0 0 "[ . 1 . 2]" 1
366 1 19 GLU H 1 115 PHE QE . . 5.500 5.334 5.147 5.473 . 0 0 "[ . 1 . 2]" 1
367 1 19 GLU H 1 115 PHE HZ . . 5.500 5.401 5.149 5.502 0.002 7 0 "[ . 1 . 2]" 1
368 1 19 GLU HA 1 30 TRP H . . 4.650 4.473 4.165 4.653 0.003 5 0 "[ . 1 . 2]" 1
369 1 19 GLU QB 1 29 TYR HB3 . . 4.700 3.446 3.048 3.797 . 0 0 "[ . 1 . 2]" 1
370 1 19 GLU QB 1 67 ARG H . . 4.800 3.178 2.718 3.641 . 0 0 "[ . 1 . 2]" 1
371 1 19 GLU QB 1 67 ARG QB . . 4.690 2.673 1.978 3.400 . 0 0 "[ . 1 . 2]" 1
372 1 19 GLU QG 1 20 LEU H . . 3.990 3.592 3.289 4.010 0.020 14 0 "[ . 1 . 2]" 1
373 1 19 GLU QG 1 31 ILE MD . . 4.190 3.828 3.620 4.198 0.008 14 0 "[ . 1 . 2]" 1
374 1 19 GLU QG 1 31 ILE QG . . 3.640 2.588 2.205 3.659 0.019 14 0 "[ . 1 . 2]" 1
375 1 19 GLU QG 1 69 VAL HA . . 3.610 2.514 2.005 3.540 . 0 0 "[ . 1 . 2]" 1
376 1 19 GLU QG 1 69 VAL MG2 . . 3.430 2.341 2.006 3.471 0.041 11 0 "[ . 1 . 2]" 1
377 1 19 GLU QG 1 70 GLY H . . 4.670 3.890 3.319 4.443 . 0 0 "[ . 1 . 2]" 1
378 1 19 GLU HG2 1 20 LEU H . . 4.780 3.823 3.430 4.763 . 0 0 "[ . 1 . 2]" 1
379 1 19 GLU HG2 1 31 ILE MD . . 4.780 4.167 3.844 4.702 . 0 0 "[ . 1 . 2]" 1
380 1 19 GLU HG2 1 69 VAL HA . . 4.300 3.622 2.027 4.304 0.004 20 0 "[ . 1 . 2]" 1
381 1 19 GLU HG3 1 20 LEU H . . 4.780 4.591 3.424 4.788 0.008 3 0 "[ . 1 . 2]" 1
382 1 19 GLU HG3 1 31 ILE MD . . 4.780 4.528 4.041 4.814 0.034 14 0 "[ . 1 . 2]" 1
383 1 19 GLU HG3 1 69 VAL HA . . 4.300 2.680 2.072 4.383 0.083 11 0 "[ . 1 . 2]" 1
384 1 20 LEU H 1 20 LEU HB2 . . 3.750 3.310 3.023 3.510 . 0 0 "[ . 1 . 2]" 1
385 1 20 LEU H 1 20 LEU HB3 . . 3.380 2.746 2.576 2.897 . 0 0 "[ . 1 . 2]" 1
386 1 20 LEU H 1 20 LEU MD2 . . 4.840 4.544 4.408 4.671 . 0 0 "[ . 1 . 2]" 1
387 1 20 LEU H 1 20 LEU HG . . 4.710 4.438 4.288 4.629 . 0 0 "[ . 1 . 2]" 1
388 1 20 LEU H 1 21 GLN H . . 4.890 4.389 4.267 4.455 . 0 0 "[ . 1 . 2]" 1
389 1 20 LEU H 1 29 TYR HB2 . . 5.410 5.029 4.395 5.422 0.012 14 0 "[ . 1 . 2]" 1
390 1 20 LEU H 1 29 TYR HB3 . . 4.610 3.435 3.025 3.715 . 0 0 "[ . 1 . 2]" 1
391 1 20 LEU H 1 29 TYR QD . . 4.450 3.921 2.967 4.427 . 0 0 "[ . 1 . 2]" 1
392 1 20 LEU H 1 30 TRP H . . 3.580 2.689 2.450 2.973 . 0 0 "[ . 1 . 2]" 1
393 1 20 LEU H 1 31 ILE HA . . 3.870 3.814 3.623 3.878 0.008 14 0 "[ . 1 . 2]" 1
394 1 20 LEU H 1 32 VAL H . . 4.930 4.582 4.287 4.809 . 0 0 "[ . 1 . 2]" 1
395 1 20 LEU H 1 32 VAL MG2 . . 3.900 3.595 3.290 3.903 0.003 5 0 "[ . 1 . 2]" 1
396 1 20 LEU HA 1 20 LEU MD1 . . 3.210 2.253 1.967 2.625 . 0 0 "[ . 1 . 2]" 1
397 1 20 LEU HA 1 20 LEU MD2 . . 4.030 3.931 3.809 4.012 . 0 0 "[ . 1 . 2]" 1
398 1 20 LEU HB2 1 20 LEU MD2 . . 3.350 2.459 2.275 2.599 . 0 0 "[ . 1 . 2]" 1
399 1 20 LEU HB2 1 30 TRP H . . 5.390 5.209 4.958 5.399 0.009 10 0 "[ . 1 . 2]" 1
400 1 20 LEU HB2 1 32 VAL MG1 . . 3.630 3.401 3.064 3.603 . 0 0 "[ . 1 . 2]" 1
401 1 20 LEU HB2 1 32 VAL MG2 . . 3.580 2.629 2.316 2.824 . 0 0 "[ . 1 . 2]" 1
402 1 20 LEU HB3 1 20 LEU MD1 . . 3.590 3.177 3.132 3.196 . 0 0 "[ . 1 . 2]" 1
403 1 20 LEU HB3 1 20 LEU MD2 . . 3.290 2.216 2.036 2.382 . 0 0 "[ . 1 . 2]" 1
404 1 20 LEU HB3 1 30 TRP H . . 4.290 3.819 3.445 4.163 . 0 0 "[ . 1 . 2]" 1
405 1 20 LEU HB3 1 32 VAL MG1 . . 3.250 3.111 2.810 3.250 0.000 11 0 "[ . 1 . 2]" 1
406 1 20 LEU HB3 1 32 VAL MG2 . . 3.420 3.144 2.749 3.401 . 0 0 "[ . 1 . 2]" 1
407 1 20 LEU HB3 1 46 TYR QE . . 4.710 3.947 3.676 4.451 . 0 0 "[ . 1 . 2]" 1
408 1 20 LEU MD1 1 21 GLN H . . 3.730 2.063 1.849 2.507 . 0 0 "[ . 1 . 2]" 1
409 1 20 LEU MD1 1 65 ARG H . . 5.290 4.790 4.538 5.032 . 0 0 "[ . 1 . 2]" 1
410 1 20 LEU MD1 1 65 ARG HA . . 4.490 4.239 3.789 4.494 0.004 11 0 "[ . 1 . 2]" 1
411 1 20 LEU MD1 1 65 ARG HB2 . . 4.070 2.522 2.109 2.979 . 0 0 "[ . 1 . 2]" 1
412 1 20 LEU MD1 1 65 ARG QB . . 3.270 2.161 1.867 2.717 . 0 0 "[ . 1 . 2]" 1
413 1 20 LEU MD1 1 65 ARG HB3 . . 4.070 2.833 1.901 3.974 . 0 0 "[ . 1 . 2]" 1
414 1 20 LEU MD1 1 65 ARG HD2 . . 4.700 2.593 1.798 4.444 . 0 0 "[ . 1 . 2]" 1
415 1 20 LEU MD1 1 65 ARG QD . . 3.930 2.294 1.779 3.928 . 0 0 "[ . 1 . 2]" 1
416 1 20 LEU MD1 1 65 ARG HD3 . . 4.700 3.054 1.944 4.375 . 0 0 "[ . 1 . 2]" 1
417 1 20 LEU MD1 1 65 ARG HE . . 4.460 3.786 2.543 4.468 0.008 12 0 "[ . 1 . 2]" 1
418 1 20 LEU MD1 1 65 ARG QG . . 3.450 2.769 1.844 3.456 0.006 10 0 "[ . 1 . 2]" 1
419 1 20 LEU MD2 1 46 TYR QD . . 4.550 3.617 3.226 4.516 . 0 0 "[ . 1 . 2]" 1
420 1 20 LEU MD2 1 46 TYR QE . . 3.240 2.133 1.872 3.207 . 0 0 "[ . 1 . 2]" 1
421 1 20 LEU MD2 1 57 GLN HB2 . . 4.520 4.227 3.857 4.482 . 0 0 "[ . 1 . 2]" 1
422 1 20 LEU MD2 1 57 GLN QB . . 3.960 3.468 3.010 3.883 . 0 0 "[ . 1 . 2]" 1
423 1 20 LEU MD2 1 57 GLN HB3 . . 4.520 3.707 3.137 4.357 . 0 0 "[ . 1 . 2]" 1
424 1 20 LEU MD2 1 57 GLN HE21 . . 4.210 2.886 1.859 3.958 . 0 0 "[ . 1 . 2]" 1
425 1 20 LEU MD2 1 57 GLN HE22 . . 4.210 2.927 1.819 4.203 . 0 0 "[ . 1 . 2]" 1
426 1 20 LEU MD2 1 57 GLN QG . . 4.910 3.194 2.456 3.968 . 0 0 "[ . 1 . 2]" 1
427 1 20 LEU HG 1 21 GLN H . . 4.520 2.333 1.953 2.908 . 0 0 "[ . 1 . 2]" 1
428 1 21 GLN H 1 65 ARG HA . . 4.400 4.080 3.431 4.414 0.014 14 0 "[ . 1 . 2]" 1
429 1 21 GLN H 1 65 ARG QB . . 4.650 2.303 1.989 2.696 . 0 0 "[ . 1 . 2]" 1
430 1 21 GLN HA 1 21 GLN HG2 . . 4.130 2.970 2.791 3.372 . 0 0 "[ . 1 . 2]" 1
431 1 21 GLN HA 1 21 GLN HG3 . . 4.160 2.803 2.580 2.927 . 0 0 "[ . 1 . 2]" 1
432 1 21 GLN HA 1 29 TYR HA . . 3.800 2.514 2.183 3.093 . 0 0 "[ . 1 . 2]" 1
433 1 21 GLN HA 1 29 TYR QD . . 4.720 2.625 2.125 3.220 . 0 0 "[ . 1 . 2]" 1
434 1 21 GLN QB 1 29 TYR QD . . 5.020 2.781 2.093 3.748 . 0 0 "[ . 1 . 2]" 1
435 1 21 GLN QB 1 64 TYR QD . . 5.340 4.902 4.245 5.345 0.005 15 0 "[ . 1 . 2]" 1
436 1 21 GLN QB 1 65 ARG HA . . 3.450 3.310 2.918 3.455 0.005 16 0 "[ . 1 . 2]" 1
437 1 21 GLN QB 1 65 ARG QB . . 4.290 2.659 1.907 3.296 . 0 0 "[ . 1 . 2]" 1
438 1 21 GLN QB 1 65 ARG QD . . 5.180 3.356 2.098 4.992 . 0 0 "[ . 1 . 2]" 1
439 1 21 GLN HB2 1 65 ARG HA . . 4.040 3.797 3.313 4.040 . 4 0 "[ . 1 . 2]" 1
440 1 21 GLN HB3 1 65 ARG HA . . 4.040 3.672 3.129 3.891 . 0 0 "[ . 1 . 2]" 1
441 1 21 GLN QE 1 26 PRO QB . . 3.660 2.804 2.226 3.570 . 0 0 "[ . 1 . 2]" 1
442 1 21 GLN HE21 1 26 PRO HA . . 4.280 2.446 1.902 3.973 . 0 0 "[ . 1 . 2]" 1
443 1 21 GLN HE21 1 26 PRO HB2 . . 4.790 3.944 2.710 4.761 . 0 0 "[ . 1 . 2]" 1
444 1 21 GLN HE21 1 26 PRO HB3 . . 4.790 3.478 2.535 4.716 . 0 0 "[ . 1 . 2]" 1
445 1 21 GLN HE22 1 26 PRO HA . . 4.280 3.182 2.478 4.193 . 0 0 "[ . 1 . 2]" 1
446 1 21 GLN HE22 1 26 PRO HB2 . . 4.790 4.007 2.663 4.640 . 0 0 "[ . 1 . 2]" 1
447 1 21 GLN HE22 1 26 PRO HB3 . . 4.790 3.338 2.585 4.134 . 0 0 "[ . 1 . 2]" 1
448 1 21 GLN HG2 1 22 ASP H . . 4.490 2.522 2.201 2.716 . 0 0 "[ . 1 . 2]" 1
449 1 21 GLN HG2 1 22 ASP HA . . 4.350 4.204 3.951 4.355 0.005 17 0 "[ . 1 . 2]" 1
450 1 21 GLN HG2 1 26 PRO HA . . 3.620 2.995 2.140 3.598 . 0 0 "[ . 1 . 2]" 1
451 1 21 GLN HG3 1 22 ASP H . . 4.320 3.087 1.941 3.498 . 0 0 "[ . 1 . 2]" 1
452 1 21 GLN HG3 1 26 PRO HA . . 3.730 2.867 2.050 3.623 . 0 0 "[ . 1 . 2]" 1
453 1 22 ASP H 1 22 ASP HB2 . . 3.930 2.299 2.166 2.582 . 0 0 "[ . 1 . 2]" 1
454 1 22 ASP H 1 22 ASP HB3 . . 3.930 3.139 2.643 3.591 . 0 0 "[ . 1 . 2]" 1
455 1 22 ASP H 1 23 SER H . . 4.780 4.509 4.277 4.645 . 0 0 "[ . 1 . 2]" 1
456 1 22 ASP H 1 29 TYR HA . . 4.000 2.928 2.541 3.687 . 0 0 "[ . 1 . 2]" 1
457 1 22 ASP HA 1 23 SER H . . 3.090 2.247 2.143 2.596 . 0 0 "[ . 1 . 2]" 1
458 1 22 ASP HA 1 23 SER QB . . 4.710 4.401 4.210 4.614 . 0 0 "[ . 1 . 2]" 1
459 1 22 ASP HA 1 23 SER HG . . 4.710 4.135 3.505 4.557 . 0 0 "[ . 1 . 2]" 1
460 1 22 ASP HA 1 24 GLN H . . 4.230 3.904 3.526 4.232 0.002 5 0 "[ . 1 . 2]" 1
461 1 22 ASP HA 1 25 ASN H . . 4.780 4.592 4.112 4.823 0.043 12 0 "[ . 1 . 2]" 1
462 1 22 ASP QB 1 23 SER H . . 4.270 3.350 2.047 3.905 . 0 0 "[ . 1 . 2]" 1
463 1 22 ASP QB 1 24 GLN H . . 4.190 2.918 2.106 3.853 . 0 0 "[ . 1 . 2]" 1
464 1 22 ASP QB 1 25 ASN H . . 3.600 2.196 1.892 2.465 . 0 0 "[ . 1 . 2]" 1
465 1 22 ASP QB 1 25 ASN QB . . 4.080 2.415 1.803 3.548 . 0 0 "[ . 1 . 2]" 1
466 1 22 ASP QB 1 28 GLN H . . 4.550 3.941 3.565 4.353 . 0 0 "[ . 1 . 2]" 1
467 1 22 ASP QB 1 28 GLN QB . . 3.730 2.670 1.960 3.710 . 0 0 "[ . 1 . 2]" 1
468 1 22 ASP HB2 1 23 SER H . . 4.860 4.249 3.551 4.571 . 0 0 "[ . 1 . 2]" 1
469 1 22 ASP HB3 1 23 SER H . . 4.860 3.539 2.060 4.266 . 0 0 "[ . 1 . 2]" 1
470 1 23 SER H 1 23 SER HB2 . . 3.720 3.140 2.243 3.688 . 0 0 "[ . 1 . 2]" 1
471 1 23 SER H 1 23 SER HB3 . . 3.720 2.977 2.385 3.726 0.006 9 0 "[ . 1 . 2]" 1
472 1 23 SER H 1 23 SER HG . . 4.230 2.383 1.937 3.544 . 0 0 "[ . 1 . 2]" 1
473 1 23 SER H 1 24 GLN HB2 . . 5.420 5.019 4.198 5.429 0.009 2 0 "[ . 1 . 2]" 1
474 1 23 SER H 1 24 GLN QG . . 5.290 4.569 3.288 5.199 . 0 0 "[ . 1 . 2]" 1
475 1 23 SER H 1 25 ASN H . . 4.950 4.380 3.375 4.943 . 0 0 "[ . 1 . 2]" 1
476 1 23 SER QB 1 24 GLN H . . 3.650 3.263 2.524 3.650 . 0 0 "[ . 1 . 2]" 1
477 1 23 SER QB 1 24 GLN QG . . 4.340 3.419 2.638 4.287 . 0 0 "[ . 1 . 2]" 1
478 1 23 SER HB2 1 24 GLN H . . 4.270 3.519 2.597 4.103 . 0 0 "[ . 1 . 2]" 1
479 1 23 SER HB3 1 24 GLN H . . 4.270 3.934 3.296 4.185 . 0 0 "[ . 1 . 2]" 1
480 1 24 GLN H 1 24 GLN HB2 . . 3.200 2.575 2.317 2.878 . 0 0 "[ . 1 . 2]" 1
481 1 24 GLN H 1 24 GLN HB3 . . 3.800 3.701 3.566 3.816 0.016 12 0 "[ . 1 . 2]" 1
482 1 24 GLN H 1 24 GLN HG2 . . 4.070 3.585 2.449 4.082 0.012 18 0 "[ . 1 . 2]" 1
483 1 24 GLN H 1 24 GLN QG . . 3.390 2.782 2.229 3.321 . 0 0 "[ . 1 . 2]" 1
484 1 24 GLN H 1 24 GLN HG3 . . 4.070 3.085 2.252 4.084 0.014 12 0 "[ . 1 . 2]" 1
485 1 24 GLN H 1 25 ASN H . . 2.900 2.335 1.850 2.817 . 0 0 "[ . 1 . 2]" 1
486 1 24 GLN H 1 25 ASN HB2 . . 5.430 4.727 3.745 5.450 0.020 9 0 "[ . 1 . 2]" 1
487 1 24 GLN H 1 25 ASN HB3 . . 5.430 5.231 4.557 5.445 0.015 2 0 "[ . 1 . 2]" 1
488 1 24 GLN HA 1 24 GLN HG2 . . 3.760 2.734 2.272 3.778 0.018 18 0 "[ . 1 . 2]" 1
489 1 24 GLN HA 1 24 GLN HG3 . . 3.760 3.204 2.645 3.769 0.009 19 0 "[ . 1 . 2]" 1
490 1 24 GLN HB2 1 25 ASN H . . 3.640 2.410 2.094 2.839 . 0 0 "[ . 1 . 2]" 1
491 1 24 GLN HB2 1 25 ASN QB . . 4.550 3.887 3.376 4.466 . 0 0 "[ . 1 . 2]" 1
492 1 24 GLN HB2 1 25 ASN QD . . 5.340 4.889 2.564 5.350 0.010 14 0 "[ . 1 . 2]" 1
493 1 24 GLN HB3 1 25 ASN H . . 3.980 3.437 2.900 3.991 0.011 9 0 "[ . 1 . 2]" 1
494 1 24 GLN QG 1 25 ASN H . . 4.160 4.006 3.801 4.139 . 0 0 "[ . 1 . 2]" 1
495 1 25 ASN H 1 25 ASN HB2 . . 3.610 2.670 2.202 3.593 . 0 0 "[ . 1 . 2]" 1
496 1 25 ASN H 1 25 ASN HB3 . . 3.610 3.130 2.726 3.558 . 0 0 "[ . 1 . 2]" 1
497 1 25 ASN H 1 25 ASN QD . . 4.790 4.026 2.698 4.689 . 0 0 "[ . 1 . 2]" 1
498 1 25 ASN H 1 26 PRO QD . . 4.610 3.937 3.433 4.289 . 0 0 "[ . 1 . 2]" 1
499 1 25 ASN HA 1 26 PRO HD2 . . 3.290 1.947 1.913 2.120 . 0 0 "[ . 1 . 2]" 1
500 1 25 ASN HA 1 26 PRO QD . . 2.880 1.873 1.851 1.946 . 0 0 "[ . 1 . 2]" 1
501 1 25 ASN HA 1 26 PRO HD3 . . 3.290 2.463 2.257 2.764 . 0 0 "[ . 1 . 2]" 1
502 1 25 ASN HA 1 26 PRO HG2 . . 4.640 4.144 4.115 4.288 . 0 0 "[ . 1 . 2]" 1
503 1 25 ASN HA 1 26 PRO QG . . 3.950 3.784 3.765 3.848 . 0 0 "[ . 1 . 2]" 1
504 1 25 ASN HA 1 26 PRO HG3 . . 4.640 4.376 4.319 4.548 . 0 0 "[ . 1 . 2]" 1
505 1 25 ASN QB 1 25 ASN QD . . 3.080 2.126 2.063 2.395 . 0 0 "[ . 1 . 2]" 1
506 1 25 ASN QB 1 26 PRO QD . . 4.020 3.503 3.227 3.813 . 0 0 "[ . 1 . 2]" 1
507 1 25 ASN QB 1 28 GLN H . . 4.470 3.082 2.197 3.963 . 0 0 "[ . 1 . 2]" 1
508 1 25 ASN QB 1 28 GLN QB . . 3.470 2.107 1.721 3.281 . 0 0 "[ . 1 . 2]" 1
509 1 25 ASN QD 1 28 GLN QB . . 3.640 3.119 1.950 3.662 0.022 14 0 "[ . 1 . 2]" 1
510 1 26 PRO HA 1 28 GLN H . . 4.660 4.095 3.370 4.673 0.013 16 0 "[ . 1 . 2]" 1
511 1 26 PRO QB 1 27 PHE H . . 3.870 3.195 2.800 3.653 . 0 0 "[ . 1 . 2]" 1
512 1 26 PRO HB2 1 27 PHE H . . 4.470 3.333 2.872 3.879 . 0 0 "[ . 1 . 2]" 1
513 1 26 PRO HB3 1 27 PHE H . . 4.470 4.140 3.875 4.456 . 0 0 "[ . 1 . 2]" 1
514 1 26 PRO QD 1 27 PHE H . . 3.580 2.705 2.605 2.852 . 0 0 "[ . 1 . 2]" 1
515 1 26 PRO QD 1 27 PHE QD . . 4.800 3.303 2.426 4.229 . 0 0 "[ . 1 . 2]" 1
516 1 26 PRO QD 1 27 PHE QE . . 5.090 4.093 2.861 5.098 0.008 12 0 "[ . 1 . 2]" 1
517 1 26 PRO QD 1 28 GLN H . . 5.350 4.430 3.875 5.023 . 0 0 "[ . 1 . 2]" 1
518 1 26 PRO HD2 1 27 PHE H . . 4.410 2.761 2.650 2.921 . 0 0 "[ . 1 . 2]" 1
519 1 26 PRO HD3 1 27 PHE H . . 4.410 3.891 3.840 3.987 . 0 0 "[ . 1 . 2]" 1
520 1 26 PRO QG 1 27 PHE QD . . 4.420 2.656 2.022 3.280 . 0 0 "[ . 1 . 2]" 1
521 1 26 PRO QG 1 27 PHE QE . . 4.910 3.112 2.187 3.715 . 0 0 "[ . 1 . 2]" 1
522 1 26 PRO HG2 1 27 PHE H . . 4.490 2.437 1.898 3.186 . 0 0 "[ . 1 . 2]" 1
523 1 26 PRO HG3 1 27 PHE H . . 4.490 3.933 3.527 4.495 0.005 15 0 "[ . 1 . 2]" 1
524 1 27 PHE H 1 27 PHE HB2 . . 3.730 2.667 2.279 3.662 . 0 0 "[ . 1 . 2]" 1
525 1 27 PHE H 1 27 PHE QB . . 3.120 2.523 2.254 2.926 . 0 0 "[ . 1 . 2]" 1
526 1 27 PHE H 1 27 PHE HB3 . . 3.730 3.536 3.024 3.713 . 0 0 "[ . 1 . 2]" 1
527 1 27 PHE H 1 27 PHE QD . . 4.000 2.638 2.169 3.147 . 0 0 "[ . 1 . 2]" 1
528 1 27 PHE H 1 28 GLN H . . 3.240 2.663 2.056 3.243 0.003 7 0 "[ . 1 . 2]" 1
529 1 27 PHE HA 1 27 PHE QD . . 4.060 2.867 2.278 3.723 . 0 0 "[ . 1 . 2]" 1
530 1 27 PHE HB2 1 28 GLN H . . 4.860 3.394 2.637 4.429 . 0 0 "[ . 1 . 2]" 1
531 1 27 PHE HB3 1 28 GLN H . . 4.860 4.084 3.475 4.664 . 0 0 "[ . 1 . 2]" 1
532 1 27 PHE QD 1 28 GLN H . . 4.750 4.361 3.768 4.800 0.050 12 0 "[ . 1 . 2]" 1
533 1 28 GLN H 1 28 GLN HB2 . . 3.640 2.795 2.260 3.335 . 0 0 "[ . 1 . 2]" 1
534 1 28 GLN H 1 28 GLN QB . . 3.190 2.465 2.173 2.807 . 0 0 "[ . 1 . 2]" 1
535 1 28 GLN H 1 28 GLN HB3 . . 3.640 2.837 2.351 3.495 . 0 0 "[ . 1 . 2]" 1
536 1 28 GLN H 1 28 GLN HG2 . . 4.780 4.602 4.277 4.802 0.022 2 0 "[ . 1 . 2]" 1
537 1 28 GLN H 1 28 GLN QG . . 4.210 4.036 3.558 4.221 0.011 2 0 "[ . 1 . 2]" 1
538 1 28 GLN H 1 28 GLN HG3 . . 4.780 4.491 3.694 4.754 . 0 0 "[ . 1 . 2]" 1
539 1 28 GLN H 1 29 TYR H . . 4.710 4.399 4.052 4.634 . 0 0 "[ . 1 . 2]" 1
540 1 28 GLN H 1 29 TYR QD . . 5.210 4.042 3.191 5.104 . 0 0 "[ . 1 . 2]" 1
541 1 28 GLN HA 1 28 GLN QG . . 3.640 2.304 2.179 2.556 . 0 0 "[ . 1 . 2]" 1
542 1 28 GLN HA 1 29 TYR H . . 3.090 2.212 2.141 2.523 . 0 0 "[ . 1 . 2]" 1
543 1 28 GLN HA 1 29 TYR HB2 . . 4.950 4.511 4.157 4.779 . 0 0 "[ . 1 . 2]" 1
544 1 28 GLN HA 1 29 TYR QD . . 4.420 3.069 2.424 4.067 . 0 0 "[ . 1 . 2]" 1
545 1 28 GLN HA 1 78 ARG H . . 4.360 3.863 3.209 4.380 0.020 10 0 "[ . 1 . 2]" 1
546 1 28 GLN HA 1 78 ARG QB . . 3.420 2.676 1.985 3.147 . 0 0 "[ . 1 . 2]" 1
547 1 28 GLN HA 1 78 ARG QD . . 5.340 4.539 2.893 5.377 0.037 10 0 "[ . 1 . 2]" 1
548 1 28 GLN QE 1 80 ASP QB . . 3.430 2.795 2.075 3.209 . 0 0 "[ . 1 . 2]" 1
549 1 28 GLN QE 1 82 PRO HA . . 3.940 3.087 2.530 3.781 . 0 0 "[ . 1 . 2]" 1
550 1 28 GLN QE 1 83 SER H . . 4.740 4.262 3.705 4.743 0.003 3 0 "[ . 1 . 2]" 1
551 1 28 GLN HE21 1 80 ASP HB2 . . 4.520 3.782 2.748 4.467 . 0 0 "[ . 1 . 2]" 1
552 1 28 GLN HE21 1 80 ASP HB3 . . 4.520 3.546 2.186 4.479 . 0 0 "[ . 1 . 2]" 1
553 1 28 GLN HE21 1 82 PRO HA . . 4.510 3.512 2.738 4.067 . 0 0 "[ . 1 . 2]" 1
554 1 28 GLN HE22 1 80 ASP HB2 . . 4.520 3.950 3.560 4.525 0.005 16 0 "[ . 1 . 2]" 1
555 1 28 GLN HE22 1 80 ASP HB3 . . 4.520 3.474 2.799 4.282 . 0 0 "[ . 1 . 2]" 1
556 1 28 GLN HE22 1 82 PRO HA . . 4.510 3.466 2.783 4.495 . 0 0 "[ . 1 . 2]" 1
557 1 28 GLN QG 1 80 ASP H . . 4.840 2.464 2.141 3.380 . 0 0 "[ . 1 . 2]" 1
558 1 28 GLN QG 1 80 ASP QB . . 4.630 2.605 2.100 3.675 . 0 0 "[ . 1 . 2]" 1
559 1 28 GLN HG2 1 29 TYR H . . 3.850 3.024 2.135 3.698 . 0 0 "[ . 1 . 2]" 1
560 1 28 GLN HG3 1 29 TYR H . . 3.850 3.025 2.558 3.934 0.084 10 0 "[ . 1 . 2]" 1
561 1 29 TYR H 1 29 TYR HB2 . . 3.640 2.749 2.497 2.962 . 0 0 "[ . 1 . 2]" 1
562 1 29 TYR H 1 29 TYR HB3 . . 3.950 3.824 3.584 3.949 . 0 0 "[ . 1 . 2]" 1
563 1 29 TYR H 1 29 TYR QD . . 3.890 2.704 1.993 3.522 . 0 0 "[ . 1 . 2]" 1
564 1 29 TYR H 1 30 TRP H . . 4.690 4.421 4.360 4.505 . 0 0 "[ . 1 . 2]" 1
565 1 29 TYR H 1 78 ARG QB . . 4.260 4.025 3.436 4.261 0.001 8 0 "[ . 1 . 2]" 1
566 1 29 TYR HA 1 29 TYR QD . . 4.380 3.101 2.641 3.253 . 0 0 "[ . 1 . 2]" 1
567 1 29 TYR HA 1 30 TRP H . . 3.060 2.518 2.404 2.653 . 0 0 "[ . 1 . 2]" 1
568 1 29 TYR HB2 1 30 TRP H . . 3.650 3.393 3.106 3.635 . 0 0 "[ . 1 . 2]" 1
569 1 29 TYR HB3 1 30 TRP H . . 3.580 2.216 1.968 2.469 . 0 0 "[ . 1 . 2]" 1
570 1 29 TYR QD 1 30 TRP H . . 4.200 3.768 3.088 4.169 . 0 0 "[ . 1 . 2]" 1
571 1 29 TYR QD 1 78 ARG H . . 5.150 4.015 3.137 4.716 . 0 0 "[ . 1 . 2]" 1
572 1 30 TRP H 1 30 TRP HB2 . . 4.090 3.305 3.193 3.418 . 0 0 "[ . 1 . 2]" 1
573 1 30 TRP H 1 30 TRP HE3 . . 5.060 4.921 4.785 5.056 . 0 0 "[ . 1 . 2]" 1
574 1 30 TRP H 1 31 ILE H . . 4.740 4.401 4.353 4.439 . 0 0 "[ . 1 . 2]" 1
575 1 30 TRP H 1 32 VAL MG2 . . 5.500 5.345 5.176 5.498 . 0 0 "[ . 1 . 2]" 1
576 1 30 TRP H 1 79 MET ME . . 4.620 4.310 3.697 4.656 0.036 10 0 "[ . 1 . 2]" 1
577 1 30 TRP HA 1 30 TRP HD1 . . 5.150 4.596 4.542 4.660 . 0 0 "[ . 1 . 2]" 1
578 1 30 TRP HA 1 30 TRP HE3 . . 3.430 2.197 1.995 2.406 . 0 0 "[ . 1 . 2]" 1
579 1 30 TRP HA 1 30 TRP HZ3 . . 4.720 4.450 4.290 4.620 . 0 0 "[ . 1 . 2]" 1
580 1 30 TRP HA 1 31 ILE H . . 3.330 2.431 2.391 2.469 . 0 0 "[ . 1 . 2]" 1
581 1 30 TRP HA 1 79 MET ME . . 4.010 3.680 2.801 3.962 . 0 0 "[ . 1 . 2]" 1
582 1 30 TRP HA 1 79 MET QG . . 4.340 3.388 2.693 4.138 . 0 0 "[ . 1 . 2]" 1
583 1 30 TRP HB2 1 31 ILE H . . 4.180 3.796 3.724 3.860 . 0 0 "[ . 1 . 2]" 1
584 1 30 TRP HB2 1 81 PRO HA . . 3.900 2.579 2.245 2.991 . 0 0 "[ . 1 . 2]" 1
585 1 30 TRP HB2 1 82 PRO HD2 . . 4.710 4.217 3.778 4.652 . 0 0 "[ . 1 . 2]" 1
586 1 30 TRP HB2 1 82 PRO HD3 . . 4.350 3.335 2.821 3.880 . 0 0 "[ . 1 . 2]" 1
587 1 30 TRP HB3 1 31 ILE H . . 3.880 3.499 3.400 3.593 . 0 0 "[ . 1 . 2]" 1
588 1 30 TRP HB3 1 46 TYR QD . . 4.770 3.825 3.553 4.022 . 0 0 "[ . 1 . 2]" 1
589 1 30 TRP HB3 1 46 TYR QE . . 4.480 4.249 3.913 4.478 . 0 0 "[ . 1 . 2]" 1
590 1 30 TRP HD1 1 31 ILE H . . 3.740 3.627 3.447 3.733 . 0 0 "[ . 1 . 2]" 1
591 1 30 TRP HD1 1 32 VAL MG1 . . 4.440 2.458 2.213 2.689 . 0 0 "[ . 1 . 2]" 1
592 1 30 TRP HD1 1 46 TYR HA . . 4.270 2.576 2.252 2.787 . 0 0 "[ . 1 . 2]" 1
593 1 30 TRP HD1 1 46 TYR HB2 . . 4.860 4.464 4.149 4.859 . 0 0 "[ . 1 . 2]" 1
594 1 30 TRP HD1 1 46 TYR HB3 . . 3.690 2.983 2.641 3.399 . 0 0 "[ . 1 . 2]" 1
595 1 30 TRP HD1 1 46 TYR QD . . 3.280 2.033 1.987 2.196 . 0 0 "[ . 1 . 2]" 1
596 1 30 TRP HD1 1 46 TYR QE . . 4.140 3.839 3.682 4.142 0.002 10 0 "[ . 1 . 2]" 1
597 1 30 TRP HD1 1 47 VAL H . . 4.110 3.653 3.253 3.913 . 0 0 "[ . 1 . 2]" 1
598 1 30 TRP HD1 1 47 VAL MG2 . . 4.410 3.962 3.605 4.156 . 0 0 "[ . 1 . 2]" 1
599 1 30 TRP HD1 1 85 ILE MD . . 4.550 4.242 4.000 4.531 . 0 0 "[ . 1 . 2]" 1
600 1 30 TRP HE1 1 31 ILE H . . 4.520 4.087 3.952 4.193 . 0 0 "[ . 1 . 2]" 1
601 1 30 TRP HE1 1 46 TYR HB2 . . 4.710 3.697 3.388 3.955 . 0 0 "[ . 1 . 2]" 1
602 1 30 TRP HE1 1 46 TYR HB3 . . 4.210 2.216 1.972 2.488 . 0 0 "[ . 1 . 2]" 1
603 1 30 TRP HE1 1 46 TYR QD . . 4.530 3.661 3.390 4.114 . 0 0 "[ . 1 . 2]" 1
604 1 30 TRP HE1 1 47 VAL H . . 4.150 2.287 1.939 2.535 . 0 0 "[ . 1 . 2]" 1
605 1 30 TRP HE1 1 47 VAL HB . . 4.990 4.774 4.419 4.993 0.003 15 0 "[ . 1 . 2]" 1
606 1 30 TRP HE1 1 47 VAL MG1 . . 4.530 3.836 3.641 4.006 . 0 0 "[ . 1 . 2]" 1
607 1 30 TRP HE1 1 47 VAL MG2 . . 3.620 2.171 1.867 2.467 . 0 0 "[ . 1 . 2]" 1
608 1 30 TRP HE1 1 85 ILE MD . . 4.700 3.704 3.435 3.978 . 0 0 "[ . 1 . 2]" 1
609 1 30 TRP HE1 1 97 THR MG . . 4.750 4.489 4.037 4.753 0.003 17 0 "[ . 1 . 2]" 1
610 1 30 TRP HE3 1 31 ILE H . . 4.110 3.286 3.059 3.473 . 0 0 "[ . 1 . 2]" 1
611 1 30 TRP HE3 1 79 MET HA . . 4.780 4.401 4.060 4.636 . 0 0 "[ . 1 . 2]" 1
612 1 30 TRP HE3 1 79 MET ME . . 5.000 4.761 3.605 5.006 0.006 13 0 "[ . 1 . 2]" 1
613 1 30 TRP HE3 1 79 MET QG . . 3.790 3.235 2.628 3.783 . 0 0 "[ . 1 . 2]" 1
614 1 30 TRP HE3 1 80 ASP H . . 5.260 4.070 3.531 4.839 . 0 0 "[ . 1 . 2]" 1
615 1 30 TRP HE3 1 80 ASP HA . . 4.490 3.409 3.113 4.037 . 0 0 "[ . 1 . 2]" 1
616 1 30 TRP HE3 1 81 PRO HA . . 4.860 3.429 2.980 3.769 . 0 0 "[ . 1 . 2]" 1
617 1 30 TRP HE3 1 81 PRO HD3 . . 4.670 2.897 2.766 3.207 . 0 0 "[ . 1 . 2]" 1
618 1 30 TRP HE3 1 81 PRO HG3 . . 4.640 4.608 4.451 4.651 0.011 3 0 "[ . 1 . 2]" 1
619 1 30 TRP HE3 1 98 LEU MD1 . . 4.540 3.405 2.978 4.085 . 0 0 "[ . 1 . 2]" 1
620 1 30 TRP HE3 1 98 LEU MD2 . . 4.580 4.218 3.699 4.492 . 0 0 "[ . 1 . 2]" 1
621 1 30 TRP HH2 1 47 VAL MG2 . . 5.080 3.482 3.148 3.705 . 0 0 "[ . 1 . 2]" 1
622 1 30 TRP HH2 1 94 TRP HB2 . . 4.900 4.374 3.881 4.806 . 0 0 "[ . 1 . 2]" 1
623 1 30 TRP HH2 1 94 TRP HB3 . . 4.350 2.802 2.330 3.288 . 0 0 "[ . 1 . 2]" 1
624 1 30 TRP HH2 1 94 TRP HE3 . . 4.690 3.233 2.858 3.560 . 0 0 "[ . 1 . 2]" 1
625 1 30 TRP HH2 1 95 LYS HA . . 5.060 4.234 4.006 4.719 . 0 0 "[ . 1 . 2]" 1
626 1 30 TRP HH2 1 97 THR MG . . 4.500 3.244 2.852 3.835 . 0 0 "[ . 1 . 2]" 1
627 1 30 TRP HH2 1 98 LEU H . . 4.180 3.888 3.590 4.164 . 0 0 "[ . 1 . 2]" 1
628 1 30 TRP HH2 1 98 LEU HA . . 4.430 3.740 3.353 4.220 . 0 0 "[ . 1 . 2]" 1
629 1 30 TRP HH2 1 98 LEU HB2 . . 3.800 2.156 2.000 2.625 . 0 0 "[ . 1 . 2]" 1
630 1 30 TRP HH2 1 98 LEU HB3 . . 4.160 3.727 3.469 4.039 . 0 0 "[ . 1 . 2]" 1
631 1 30 TRP HH2 1 98 LEU MD1 . . 4.540 3.187 2.789 3.818 . 0 0 "[ . 1 . 2]" 1
632 1 30 TRP HH2 1 98 LEU MD2 . . 4.250 3.362 2.801 3.979 . 0 0 "[ . 1 . 2]" 1
633 1 30 TRP HZ2 1 47 VAL MG1 . . 4.950 4.546 4.321 4.724 . 0 0 "[ . 1 . 2]" 1
634 1 30 TRP HZ2 1 47 VAL MG2 . . 3.790 1.918 1.786 2.018 . 0 0 "[ . 1 . 2]" 1
635 1 30 TRP HZ2 1 48 GLY HA3 . . 4.540 4.520 4.397 4.556 0.016 18 0 "[ . 1 . 2]" 1
636 1 30 TRP HZ2 1 94 TRP HB3 . . 4.740 4.164 3.787 4.563 . 0 0 "[ . 1 . 2]" 1
637 1 30 TRP HZ2 1 97 THR MG . . 3.270 2.718 2.342 3.054 . 0 0 "[ . 1 . 2]" 1
638 1 30 TRP HZ2 1 98 LEU H . . 4.980 4.849 4.501 4.988 0.008 18 0 "[ . 1 . 2]" 1
639 1 30 TRP HZ2 1 98 LEU HA . . 5.500 4.317 4.078 4.698 . 0 0 "[ . 1 . 2]" 1
640 1 30 TRP HZ2 1 98 LEU HB2 . . 4.550 4.004 3.574 4.498 . 0 0 "[ . 1 . 2]" 1
641 1 30 TRP HZ2 1 98 LEU MD1 . . 5.180 4.305 3.930 4.911 . 0 0 "[ . 1 . 2]" 1
642 1 30 TRP HZ3 1 79 MET QB . . 5.340 4.956 4.550 5.319 . 0 0 "[ . 1 . 2]" 1
643 1 30 TRP HZ3 1 79 MET QG . . 3.810 3.492 3.173 3.814 0.004 5 0 "[ . 1 . 2]" 1
644 1 30 TRP HZ3 1 80 ASP HA . . 4.180 3.280 3.123 3.813 . 0 0 "[ . 1 . 2]" 1
645 1 30 TRP HZ3 1 81 PRO HD2 . . 4.640 3.761 3.657 4.009 . 0 0 "[ . 1 . 2]" 1
646 1 30 TRP HZ3 1 81 PRO HD3 . . 4.320 2.138 2.000 2.331 . 0 0 "[ . 1 . 2]" 1
647 1 30 TRP HZ3 1 98 LEU HB2 . . 5.020 3.143 2.829 3.621 . 0 0 "[ . 1 . 2]" 1
648 1 30 TRP HZ3 1 98 LEU HB3 . . 5.500 4.533 4.178 4.988 . 0 0 "[ . 1 . 2]" 1
649 1 30 TRP HZ3 1 98 LEU MD1 . . 4.140 2.498 2.084 3.306 . 0 0 "[ . 1 . 2]" 1
650 1 30 TRP HZ3 1 98 LEU MD2 . . 3.870 2.512 1.981 2.891 . 0 0 "[ . 1 . 2]" 1
651 1 31 ILE H 1 31 ILE HB . . 3.240 2.524 2.433 2.724 . 0 0 "[ . 1 . 2]" 1
652 1 31 ILE H 1 31 ILE MD . . 4.350 3.930 3.773 4.056 . 0 0 "[ . 1 . 2]" 1
653 1 31 ILE H 1 31 ILE QG . . 3.490 2.602 2.364 2.732 . 0 0 "[ . 1 . 2]" 1
654 1 31 ILE H 1 31 ILE MG . . 4.020 3.795 3.750 3.861 . 0 0 "[ . 1 . 2]" 1
655 1 31 ILE H 1 32 VAL H . . 4.770 4.477 4.423 4.522 . 0 0 "[ . 1 . 2]" 1
656 1 31 ILE H 1 46 TYR QD . . 5.500 5.480 5.396 5.518 0.018 14 0 "[ . 1 . 2]" 1
657 1 31 ILE H 1 47 VAL H . . 5.060 4.869 4.655 5.064 0.004 9 0 "[ . 1 . 2]" 1
658 1 31 ILE H 1 47 VAL MG2 . . 4.040 3.449 3.287 3.613 . 0 0 "[ . 1 . 2]" 1
659 1 31 ILE H 1 79 MET ME . . 4.510 4.261 3.517 4.515 0.005 16 0 "[ . 1 . 2]" 1
660 1 31 ILE H 1 98 LEU MD1 . . 4.590 3.577 3.105 3.986 . 0 0 "[ . 1 . 2]" 1
661 1 31 ILE HA 1 31 ILE MD . . 4.120 3.800 3.746 3.854 . 0 0 "[ . 1 . 2]" 1
662 1 31 ILE HA 1 31 ILE HG12 . . 4.220 2.487 2.399 2.579 . 0 0 "[ . 1 . 2]" 1
663 1 31 ILE HA 1 31 ILE HG13 . . 4.220 3.035 2.928 3.373 . 0 0 "[ . 1 . 2]" 1
664 1 31 ILE HA 1 31 ILE MG . . 3.470 2.410 2.180 2.475 . 0 0 "[ . 1 . 2]" 1
665 1 31 ILE HA 1 32 VAL H . . 3.070 2.169 2.150 2.188 . 0 0 "[ . 1 . 2]" 1
666 1 31 ILE HA 1 32 VAL MG2 . . 3.970 3.468 3.287 3.603 . 0 0 "[ . 1 . 2]" 1
667 1 31 ILE HA 1 79 MET ME . . 4.520 4.104 3.527 4.528 0.008 14 0 "[ . 1 . 2]" 1
668 1 31 ILE HB 1 31 ILE MD . . 2.850 2.396 2.275 2.510 . 0 0 "[ . 1 . 2]" 1
669 1 31 ILE HB 1 32 VAL H . . 5.000 4.128 4.012 4.213 . 0 0 "[ . 1 . 2]" 1
670 1 31 ILE HB 1 47 VAL HB . . 5.270 5.038 4.727 5.267 . 0 0 "[ . 1 . 2]" 1
671 1 31 ILE MD 1 32 VAL H . . 5.160 4.960 4.824 5.116 . 0 0 "[ . 1 . 2]" 1
672 1 31 ILE MD 1 69 VAL MG2 . . 3.390 3.172 2.622 3.385 . 0 0 "[ . 1 . 2]" 1
673 1 31 ILE MD 1 79 MET ME . . 2.990 2.731 2.009 3.003 0.013 18 0 "[ . 1 . 2]" 1
674 1 31 ILE MD 1 101 SER H . . 5.500 4.762 4.406 5.373 . 0 0 "[ . 1 . 2]" 1
675 1 31 ILE MD 1 101 SER HB2 . . 4.050 3.061 2.556 3.834 . 0 0 "[ . 1 . 2]" 1
676 1 31 ILE MD 1 101 SER QB . . 3.460 2.773 2.385 3.277 . 0 0 "[ . 1 . 2]" 1
677 1 31 ILE MD 1 101 SER HB3 . . 4.050 3.326 2.408 4.037 . 0 0 "[ . 1 . 2]" 1
678 1 31 ILE MD 1 102 LEU H . . 3.810 3.181 2.776 3.718 . 0 0 "[ . 1 . 2]" 1
679 1 31 ILE MD 1 102 LEU HA . . 4.170 2.995 2.658 3.409 . 0 0 "[ . 1 . 2]" 1
680 1 31 ILE QG 1 32 VAL H . . 5.340 4.047 3.933 4.318 . 0 0 "[ . 1 . 2]" 1
681 1 31 ILE QG 1 47 VAL MG2 . . 4.680 4.265 4.064 4.431 . 0 0 "[ . 1 . 2]" 1
682 1 31 ILE QG 1 69 VAL MG2 . . 5.340 3.056 2.661 3.804 . 0 0 "[ . 1 . 2]" 1
683 1 31 ILE QG 1 79 MET ME . . 2.990 2.312 2.008 2.611 . 0 0 "[ . 1 . 2]" 1
684 1 31 ILE HG12 1 79 MET ME . . 3.860 2.666 2.226 3.049 . 0 0 "[ . 1 . 2]" 1
685 1 31 ILE HG13 1 79 MET ME . . 3.860 2.566 2.087 2.943 . 0 0 "[ . 1 . 2]" 1
686 1 31 ILE MG 1 32 VAL H . . 3.360 2.349 2.066 2.620 . 0 0 "[ . 1 . 2]" 1
687 1 31 ILE MG 1 32 VAL HA . . 4.770 3.447 3.248 3.901 . 0 0 "[ . 1 . 2]" 1
688 1 31 ILE MG 1 33 SER H . . 5.200 4.813 4.587 5.217 0.017 14 0 "[ . 1 . 2]" 1
689 1 31 ILE MG 1 79 MET ME . . 4.550 4.283 3.912 4.563 0.013 18 0 "[ . 1 . 2]" 1
690 1 31 ILE MG 1 101 SER H . . 5.500 5.035 4.722 5.417 . 0 0 "[ . 1 . 2]" 1
691 1 31 ILE MG 1 101 SER HA . . 4.770 4.373 4.102 4.688 . 0 0 "[ . 1 . 2]" 1
692 1 31 ILE MG 1 101 SER QB . . 3.760 2.162 1.930 2.453 . 0 0 "[ . 1 . 2]" 1
693 1 31 ILE MG 1 102 LEU H . . 4.820 4.120 3.683 4.540 . 0 0 "[ . 1 . 2]" 1
694 1 32 VAL H 1 32 VAL MG1 . . 4.010 3.146 3.021 3.263 . 0 0 "[ . 1 . 2]" 1
695 1 32 VAL H 1 32 VAL MG2 . . 3.050 2.167 2.061 2.294 . 0 0 "[ . 1 . 2]" 1
696 1 32 VAL H 1 33 SER H . . 4.440 4.446 4.430 4.461 0.021 8 0 "[ . 1 . 2]" 1
697 1 32 VAL H 1 33 SER HA . . 5.500 4.823 4.778 4.864 . 0 0 "[ . 1 . 2]" 1
698 1 32 VAL HA 1 32 VAL MG1 . . 3.240 2.298 2.132 2.360 . 0 0 "[ . 1 . 2]" 1
699 1 32 VAL HA 1 33 SER H . . 3.050 2.446 2.338 2.554 . 0 0 "[ . 1 . 2]" 1
700 1 32 VAL HA 1 46 TYR HA . . 3.750 3.280 2.795 3.503 . 0 0 "[ . 1 . 2]" 1
701 1 32 VAL HA 1 46 TYR QD . . 4.720 4.516 4.284 4.713 . 0 0 "[ . 1 . 2]" 1
702 1 32 VAL HA 1 47 VAL H . . 3.570 2.802 2.501 3.041 . 0 0 "[ . 1 . 2]" 1
703 1 32 VAL HA 1 47 VAL MG1 . . 3.990 2.352 1.987 2.833 . 0 0 "[ . 1 . 2]" 1
704 1 32 VAL HA 1 47 VAL MG2 . . 4.210 3.842 3.570 4.090 . 0 0 "[ . 1 . 2]" 1
705 1 32 VAL HB 1 33 SER H . . 3.310 2.282 2.054 2.540 . 0 0 "[ . 1 . 2]" 1
706 1 32 VAL HB 1 33 SER HA . . 5.080 4.292 4.212 4.367 . 0 0 "[ . 1 . 2]" 1
707 1 32 VAL HB 1 33 SER QB . . 5.030 4.549 4.458 4.693 . 0 0 "[ . 1 . 2]" 1
708 1 32 VAL HB 1 34 VAL H . . 5.500 5.344 5.227 5.491 . 0 0 "[ . 1 . 2]" 1
709 1 32 VAL HB 1 44 LEU HB2 . . 4.160 3.731 3.521 3.964 . 0 0 "[ . 1 . 2]" 1
710 1 32 VAL HB 1 44 LEU HB3 . . 3.520 2.112 1.994 2.351 . 0 0 "[ . 1 . 2]" 1
711 1 32 VAL HB 1 44 LEU MD2 . . 3.180 2.868 2.610 3.070 . 0 0 "[ . 1 . 2]" 1
712 1 32 VAL HB 1 45 ARG H . . 4.300 2.506 2.265 2.767 . 0 0 "[ . 1 . 2]" 1
713 1 32 VAL HB 1 45 ARG HA . . 5.110 4.634 4.349 4.895 . 0 0 "[ . 1 . 2]" 1
714 1 32 VAL HB 1 46 TYR HA . . 5.390 4.246 3.889 4.473 . 0 0 "[ . 1 . 2]" 1
715 1 32 VAL HB 1 47 VAL H . . 5.300 4.843 4.531 5.117 . 0 0 "[ . 1 . 2]" 1
716 1 32 VAL MG1 1 33 SER H . . 3.530 3.438 3.291 3.532 0.002 15 0 "[ . 1 . 2]" 1
717 1 32 VAL MG1 1 44 LEU HB2 . . 3.810 3.429 3.112 3.664 . 0 0 "[ . 1 . 2]" 1
718 1 32 VAL MG1 1 45 ARG H . . 4.170 3.201 2.768 3.606 . 0 0 "[ . 1 . 2]" 1
719 1 32 VAL MG1 1 46 TYR H . . 4.420 3.020 2.648 3.585 . 0 0 "[ . 1 . 2]" 1
720 1 32 VAL MG1 1 46 TYR HA . . 3.170 2.048 1.916 2.249 . 0 0 "[ . 1 . 2]" 1
721 1 32 VAL MG1 1 46 TYR HB2 . . 4.770 4.407 4.196 4.669 . 0 0 "[ . 1 . 2]" 1
722 1 32 VAL MG1 1 46 TYR HB3 . . 4.430 3.923 3.694 4.166 . 0 0 "[ . 1 . 2]" 1
723 1 32 VAL MG1 1 46 TYR QD . . 3.340 2.132 1.918 2.303 . 0 0 "[ . 1 . 2]" 1
724 1 32 VAL MG1 1 46 TYR QE . . 3.860 3.112 2.863 3.328 . 0 0 "[ . 1 . 2]" 1
725 1 32 VAL MG1 1 47 VAL H . . 3.860 3.152 2.791 3.535 . 0 0 "[ . 1 . 2]" 1
726 1 32 VAL MG2 1 33 SER H . . 4.180 3.522 3.263 3.715 . 0 0 "[ . 1 . 2]" 1
727 1 32 VAL MG2 1 33 SER HA . . 5.330 3.928 3.699 4.074 . 0 0 "[ . 1 . 2]" 1
728 1 32 VAL MG2 1 44 LEU HB3 . . 3.610 2.187 1.963 2.492 . 0 0 "[ . 1 . 2]" 1
729 1 33 SER H 1 33 SER HB2 . . 3.710 3.304 3.209 3.389 . 0 0 "[ . 1 . 2]" 1
730 1 33 SER H 1 33 SER HB3 . . 3.710 2.650 2.569 2.788 . 0 0 "[ . 1 . 2]" 1
731 1 33 SER H 1 34 VAL H . . 4.730 4.318 4.198 4.359 . 0 0 "[ . 1 . 2]" 1
732 1 33 SER H 1 35 ILE MD . . 4.760 4.113 3.871 4.493 . 0 0 "[ . 1 . 2]" 1
733 1 33 SER H 1 44 LEU HB3 . . 4.190 3.942 3.736 4.166 . 0 0 "[ . 1 . 2]" 1
734 1 33 SER H 1 45 ARG H . . 3.540 2.593 2.270 2.782 . 0 0 "[ . 1 . 2]" 1
735 1 33 SER H 1 45 ARG HA . . 5.500 5.123 4.669 5.313 . 0 0 "[ . 1 . 2]" 1
736 1 33 SER H 1 46 TYR HA . . 5.500 4.828 4.375 5.105 . 0 0 "[ . 1 . 2]" 1
737 1 33 SER HA 1 34 VAL H . . 2.910 2.164 2.150 2.194 . 0 0 "[ . 1 . 2]" 1
738 1 33 SER HA 1 34 VAL HB . . 4.680 4.662 4.607 4.708 0.028 12 0 "[ . 1 . 2]" 1
739 1 33 SER HA 1 34 VAL MG1 . . 5.500 5.482 5.477 5.493 . 0 0 "[ . 1 . 2]" 1
740 1 33 SER HA 1 34 VAL MG2 . . 3.900 3.784 3.672 3.876 . 0 0 "[ . 1 . 2]" 1
741 1 33 SER HA 1 47 VAL MG1 . . 5.000 4.624 4.280 4.944 . 0 0 "[ . 1 . 2]" 1
742 1 33 SER QB 1 35 ILE MD . . 3.970 3.259 3.075 3.579 . 0 0 "[ . 1 . 2]" 1
743 1 33 SER QB 1 47 VAL MG1 . . 3.510 3.055 2.797 3.354 . 0 0 "[ . 1 . 2]" 1
744 1 33 SER HB2 1 34 VAL H . . 4.260 4.091 4.018 4.167 . 0 0 "[ . 1 . 2]" 1
745 1 33 SER HB2 1 47 VAL MG1 . . 4.070 3.352 2.910 3.718 . 0 0 "[ . 1 . 2]" 1
746 1 33 SER HB3 1 34 VAL H . . 4.260 4.227 4.089 4.272 0.012 3 0 "[ . 1 . 2]" 1
747 1 33 SER HB3 1 47 VAL MG1 . . 4.070 3.535 3.232 3.815 . 0 0 "[ . 1 . 2]" 1
748 1 34 VAL H 1 34 VAL HB . . 3.240 2.543 2.484 2.605 . 0 0 "[ . 1 . 2]" 1
749 1 34 VAL H 1 34 VAL MG1 . . 3.970 3.762 3.757 3.765 . 0 0 "[ . 1 . 2]" 1
750 1 34 VAL H 1 34 VAL MG2 . . 3.010 2.265 2.055 2.362 . 0 0 "[ . 1 . 2]" 1
751 1 34 VAL H 1 35 ILE H . . 5.000 4.458 4.380 4.527 . 0 0 "[ . 1 . 2]" 1
752 1 34 VAL H 1 44 LEU MD2 . . 4.390 3.682 3.456 3.859 . 0 0 "[ . 1 . 2]" 1
753 1 34 VAL HA 1 34 VAL MG1 . . 3.140 2.439 2.363 2.490 . 0 0 "[ . 1 . 2]" 1
754 1 34 VAL HA 1 34 VAL MG2 . . 3.120 2.281 2.218 2.401 . 0 0 "[ . 1 . 2]" 1
755 1 34 VAL HA 1 35 ILE H . . 3.150 2.144 2.140 2.157 . 0 0 "[ . 1 . 2]" 1
756 1 34 VAL HA 1 35 ILE HG12 . . 4.210 3.830 3.665 4.027 . 0 0 "[ . 1 . 2]" 1
757 1 34 VAL HA 1 36 GLU H . . 3.970 3.950 3.784 3.981 0.011 3 0 "[ . 1 . 2]" 1
758 1 34 VAL HA 1 44 LEU HA . . 4.070 3.089 2.773 3.339 . 0 0 "[ . 1 . 2]" 1
759 1 34 VAL HA 1 44 LEU MD1 . . 5.500 5.290 5.088 5.443 . 0 0 "[ . 1 . 2]" 1
760 1 34 VAL HA 1 44 LEU MD2 . . 3.260 2.799 2.490 3.042 . 0 0 "[ . 1 . 2]" 1
761 1 34 VAL HA 1 44 LEU HG . . 4.500 4.272 3.984 4.425 . 0 0 "[ . 1 . 2]" 1
762 1 34 VAL HA 1 45 ARG H . . 5.010 4.743 4.397 4.938 . 0 0 "[ . 1 . 2]" 1
763 1 34 VAL MG1 1 35 ILE H . . 3.490 2.858 2.647 3.012 . 0 0 "[ . 1 . 2]" 1
764 1 34 VAL MG1 1 36 GLU H . . 3.340 2.834 2.619 3.023 . 0 0 "[ . 1 . 2]" 1
765 1 34 VAL MG1 1 36 GLU HA . . 4.090 3.533 3.363 3.640 . 0 0 "[ . 1 . 2]" 1
766 1 34 VAL MG1 1 37 ASN H . . 4.910 3.987 3.825 4.140 . 0 0 "[ . 1 . 2]" 1
767 1 34 VAL MG1 1 42 LEU HB3 . . 3.880 2.732 2.383 3.099 . 0 0 "[ . 1 . 2]" 1
768 1 34 VAL MG1 1 43 ARG H . . 3.830 3.346 2.993 3.598 . 0 0 "[ . 1 . 2]" 1
769 1 34 VAL MG2 1 35 ILE H . . 4.110 4.069 3.995 4.125 0.015 6 0 "[ . 1 . 2]" 1
770 1 34 VAL MG2 1 42 LEU HA . . 4.770 4.345 3.955 4.625 . 0 0 "[ . 1 . 2]" 1
771 1 34 VAL MG2 1 42 LEU HB3 . . 3.620 2.852 2.613 3.073 . 0 0 "[ . 1 . 2]" 1
772 1 34 VAL MG2 1 42 LEU MD1 . . 2.960 2.580 2.275 2.961 0.001 6 0 "[ . 1 . 2]" 1
773 1 34 VAL MG2 1 43 ARG H . . 5.420 4.948 4.669 5.265 . 0 0 "[ . 1 . 2]" 1
774 1 34 VAL MG2 1 44 LEU HA . . 5.200 4.344 4.068 4.650 . 0 0 "[ . 1 . 2]" 1
775 1 35 ILE H 1 35 ILE HB . . 3.310 2.535 2.457 2.593 . 0 0 "[ . 1 . 2]" 1
776 1 35 ILE H 1 35 ILE MD . . 3.880 3.389 3.024 3.651 . 0 0 "[ . 1 . 2]" 1
777 1 35 ILE H 1 35 ILE HG12 . . 4.050 2.352 2.173 2.483 . 0 0 "[ . 1 . 2]" 1
778 1 35 ILE H 1 35 ILE HG13 . . 3.870 3.757 3.407 3.870 . 0 0 "[ . 1 . 2]" 1
779 1 35 ILE H 1 35 ILE MG . . 4.040 3.790 3.763 3.810 . 0 0 "[ . 1 . 2]" 1
780 1 35 ILE H 1 36 GLU H . . 3.230 2.387 2.255 2.591 . 0 0 "[ . 1 . 2]" 1
781 1 35 ILE H 1 43 ARG H . . 4.570 3.585 3.185 4.010 . 0 0 "[ . 1 . 2]" 1
782 1 35 ILE H 1 44 LEU HA . . 4.170 3.226 3.000 3.454 . 0 0 "[ . 1 . 2]" 1
783 1 35 ILE H 1 44 LEU MD2 . . 4.350 4.172 3.937 4.356 0.006 14 0 "[ . 1 . 2]" 1
784 1 35 ILE H 1 45 ARG H . . 4.690 4.640 4.468 4.696 0.006 10 0 "[ . 1 . 2]" 1
785 1 35 ILE HA 1 35 ILE MD . . 2.950 2.073 1.954 2.314 . 0 0 "[ . 1 . 2]" 1
786 1 35 ILE HA 1 35 ILE MG . . 3.210 2.358 2.229 2.463 . 0 0 "[ . 1 . 2]" 1
787 1 35 ILE HB 1 36 GLU H . . 3.470 2.507 2.409 2.678 . 0 0 "[ . 1 . 2]" 1
788 1 35 ILE HB 1 36 GLU QG . . 4.710 3.843 3.169 4.169 . 0 0 "[ . 1 . 2]" 1
789 1 35 ILE HB 1 43 ARG H . . 4.320 4.019 3.794 4.284 . 0 0 "[ . 1 . 2]" 1
790 1 35 ILE HB 1 43 ARG QB . . 4.770 2.241 1.984 2.436 . 0 0 "[ . 1 . 2]" 1
791 1 35 ILE HB 1 43 ARG HD2 . . 4.370 3.976 3.612 4.374 0.004 15 0 "[ . 1 . 2]" 1
792 1 35 ILE HB 1 43 ARG HD3 . . 3.910 2.617 2.203 3.931 0.021 15 0 "[ . 1 . 2]" 1
793 1 35 ILE HB 1 43 ARG HE . . 4.790 4.236 2.248 4.715 . 0 0 "[ . 1 . 2]" 1
794 1 35 ILE HB 1 43 ARG HG2 . . 4.610 2.356 2.054 2.587 . 0 0 "[ . 1 . 2]" 1
795 1 35 ILE HB 1 43 ARG QG . . 3.760 2.338 2.045 2.560 . 0 0 "[ . 1 . 2]" 1
796 1 35 ILE HB 1 43 ARG HG3 . . 4.610 3.914 3.718 4.147 . 0 0 "[ . 1 . 2]" 1
797 1 35 ILE MD 1 35 ILE MG . . 2.920 1.975 1.845 2.125 . 0 0 "[ . 1 . 2]" 1
798 1 35 ILE MD 1 36 GLU H . . 4.870 4.606 4.437 4.753 . 0 0 "[ . 1 . 2]" 1
799 1 35 ILE MD 1 45 ARG H . . 4.320 3.763 3.565 4.135 . 0 0 "[ . 1 . 2]" 1
800 1 35 ILE MD 1 45 ARG QB . . 3.920 2.212 1.994 2.471 . 0 0 "[ . 1 . 2]" 1
801 1 35 ILE MD 1 45 ARG HD2 . . 4.330 3.586 2.205 4.333 0.003 3 0 "[ . 1 . 2]" 1
802 1 35 ILE MD 1 45 ARG QD . . 3.560 2.920 2.046 3.516 . 0 0 "[ . 1 . 2]" 1
803 1 35 ILE MD 1 45 ARG HD3 . . 4.330 3.489 2.061 4.293 . 0 0 "[ . 1 . 2]" 1
804 1 35 ILE MD 1 45 ARG HE . . 3.930 2.569 1.860 3.930 0.000 1 0 "[ . 1 . 2]" 1
805 1 35 ILE HG12 1 36 GLU H . . 4.700 4.128 4.032 4.248 . 0 0 "[ . 1 . 2]" 1
806 1 35 ILE HG12 1 45 ARG H . . 4.520 3.291 3.136 3.563 . 0 0 "[ . 1 . 2]" 1
807 1 35 ILE HG13 1 35 ILE MG . . 3.230 2.360 2.212 2.592 . 0 0 "[ . 1 . 2]" 1
808 1 35 ILE HG13 1 44 LEU HA . . 5.040 4.420 4.067 4.756 . 0 0 "[ . 1 . 2]" 1
809 1 35 ILE HG13 1 45 ARG H . . 4.500 4.184 3.852 4.502 0.002 10 0 "[ . 1 . 2]" 1
810 1 35 ILE HG13 1 45 ARG QB . . 4.320 2.270 2.128 2.536 . 0 0 "[ . 1 . 2]" 1
811 1 35 ILE MG 1 36 GLU H . . 3.940 3.438 3.296 3.642 . 0 0 "[ . 1 . 2]" 1
812 1 35 ILE MG 1 36 GLU HB3 . . 4.760 4.551 4.363 4.743 . 0 0 "[ . 1 . 2]" 1
813 1 35 ILE MG 1 36 GLU HG2 . . 3.940 2.967 2.364 3.646 . 0 0 "[ . 1 . 2]" 1
814 1 35 ILE MG 1 36 GLU QG . . 3.150 2.419 1.976 2.802 . 0 0 "[ . 1 . 2]" 1
815 1 35 ILE MG 1 36 GLU HG3 . . 3.940 2.911 1.986 3.521 . 0 0 "[ . 1 . 2]" 1
816 1 35 ILE MG 1 43 ARG HD2 . . 4.150 3.763 3.361 4.141 . 0 0 "[ . 1 . 2]" 1
817 1 35 ILE MG 1 43 ARG HD3 . . 3.700 2.323 1.954 3.719 0.019 15 0 "[ . 1 . 2]" 1
818 1 35 ILE MG 1 43 ARG HE . . 4.380 3.723 1.791 4.358 . 0 0 "[ . 1 . 2]" 1
819 1 35 ILE MG 1 43 ARG QG . . 4.580 3.236 3.007 3.431 . 0 0 "[ . 1 . 2]" 1
820 1 36 GLU H 1 36 GLU HB2 . . 3.910 2.809 2.752 2.929 . 0 0 "[ . 1 . 2]" 1
821 1 36 GLU H 1 36 GLU HB3 . . 4.190 3.806 3.744 3.926 . 0 0 "[ . 1 . 2]" 1
822 1 36 GLU H 1 36 GLU HG2 . . 4.800 3.960 3.681 4.423 . 0 0 "[ . 1 . 2]" 1
823 1 36 GLU H 1 36 GLU QG . . 4.080 3.547 3.240 3.689 . 0 0 "[ . 1 . 2]" 1
824 1 36 GLU H 1 36 GLU HG3 . . 4.800 4.258 3.414 4.684 . 0 0 "[ . 1 . 2]" 1
825 1 36 GLU H 1 37 ASN H . . 4.500 4.297 4.238 4.359 . 0 0 "[ . 1 . 2]" 1
826 1 36 GLU H 1 42 LEU HA . . 4.300 3.968 3.864 4.204 . 0 0 "[ . 1 . 2]" 1
827 1 36 GLU H 1 43 ARG H . . 3.620 2.465 2.218 2.660 . 0 0 "[ . 1 . 2]" 1
828 1 36 GLU H 1 43 ARG HA . . 5.290 4.573 4.251 4.775 . 0 0 "[ . 1 . 2]" 1
829 1 36 GLU H 1 43 ARG HB2 . . 4.180 3.810 3.249 4.097 . 0 0 "[ . 1 . 2]" 1
830 1 36 GLU H 1 43 ARG QB . . 3.350 2.235 1.892 2.513 . 0 0 "[ . 1 . 2]" 1
831 1 36 GLU H 1 43 ARG HB3 . . 4.180 2.250 1.905 2.536 . 0 0 "[ . 1 . 2]" 1
832 1 36 GLU H 1 43 ARG HD3 . . 4.610 4.127 3.548 4.481 . 0 0 "[ . 1 . 2]" 1
833 1 36 GLU HA 1 36 GLU HG2 . . 4.100 2.473 2.178 2.620 . 0 0 "[ . 1 . 2]" 1
834 1 36 GLU HA 1 36 GLU QG . . 3.530 2.414 2.142 2.565 . 0 0 "[ . 1 . 2]" 1
835 1 36 GLU HA 1 36 GLU HG3 . . 4.100 3.447 2.904 3.670 . 0 0 "[ . 1 . 2]" 1
836 1 36 GLU HA 1 37 ASN H . . 2.790 2.229 2.175 2.305 . 0 0 "[ . 1 . 2]" 1
837 1 36 GLU HB2 1 37 ASN H . . 4.330 4.143 3.973 4.282 . 0 0 "[ . 1 . 2]" 1
838 1 36 GLU HB2 1 38 VAL MG2 . . 4.130 4.090 3.906 4.140 0.010 16 0 "[ . 1 . 2]" 1
839 1 36 GLU HB2 1 43 ARG H . . 4.200 3.806 3.572 4.155 . 0 0 "[ . 1 . 2]" 1
840 1 36 GLU HB2 1 43 ARG QB . . 3.510 2.540 2.270 2.776 . 0 0 "[ . 1 . 2]" 1
841 1 36 GLU HB2 1 43 ARG HD3 . . 4.630 3.262 2.600 3.735 . 0 0 "[ . 1 . 2]" 1
842 1 36 GLU HB2 1 58 TRP HH2 . . 4.650 4.099 3.518 4.533 . 0 0 "[ . 1 . 2]" 1
843 1 36 GLU HB3 1 37 ASN H . . 3.290 2.974 2.753 3.180 . 0 0 "[ . 1 . 2]" 1
844 1 36 GLU HB3 1 38 VAL MG2 . . 3.280 3.001 2.852 3.222 . 0 0 "[ . 1 . 2]" 1
845 1 36 GLU HB3 1 43 ARG HB2 . . 5.420 4.642 3.925 5.023 . 0 0 "[ . 1 . 2]" 1
846 1 36 GLU HB3 1 43 ARG QB . . 4.610 3.871 3.537 4.132 . 0 0 "[ . 1 . 2]" 1
847 1 36 GLU HB3 1 43 ARG HB3 . . 5.420 4.152 3.952 4.455 . 0 0 "[ . 1 . 2]" 1
848 1 36 GLU HB3 1 58 TRP HH2 . . 4.630 4.156 3.772 4.536 . 0 0 "[ . 1 . 2]" 1
849 1 36 GLU HB3 1 58 TRP HZ2 . . 5.500 5.091 4.701 5.404 . 0 0 "[ . 1 . 2]" 1
850 1 36 GLU QG 1 37 ASN H . . 4.230 4.032 3.593 4.230 . 0 0 "[ . 1 . 2]" 1
851 1 36 GLU QG 1 38 VAL MG2 . . 4.940 4.489 4.331 4.807 . 0 0 "[ . 1 . 2]" 1
852 1 36 GLU QG 1 43 ARG QB . . 4.380 3.856 3.266 4.207 . 0 0 "[ . 1 . 2]" 1
853 1 36 GLU QG 1 43 ARG HD2 . . 4.970 4.491 3.914 4.970 0.000 4 0 "[ . 1 . 2]" 1
854 1 36 GLU QG 1 43 ARG HD3 . . 4.350 3.696 2.733 4.145 . 0 0 "[ . 1 . 2]" 1
855 1 36 GLU QG 1 58 TRP HZ2 . . 5.340 4.939 4.507 5.227 . 0 0 "[ . 1 . 2]" 1
856 1 37 ASN H 1 37 ASN HB2 . . 4.200 3.186 3.103 3.308 . 0 0 "[ . 1 . 2]" 1
857 1 37 ASN H 1 37 ASN HB3 . . 3.410 2.560 2.509 2.645 . 0 0 "[ . 1 . 2]" 1
858 1 37 ASN H 1 37 ASN HD21 . . 5.500 5.145 5.008 5.300 . 0 0 "[ . 1 . 2]" 1
859 1 37 ASN H 1 38 VAL H . . 4.460 4.109 3.936 4.201 . 0 0 "[ . 1 . 2]" 1
860 1 37 ASN H 1 38 VAL MG2 . . 4.190 3.771 3.502 3.953 . 0 0 "[ . 1 . 2]" 1
861 1 37 ASN H 1 42 LEU MD1 . . 4.300 4.197 3.934 4.306 0.006 7 0 "[ . 1 . 2]" 1
862 1 37 ASN HA 1 38 VAL H . . 3.160 2.160 2.140 2.189 . 0 0 "[ . 1 . 2]" 1
863 1 37 ASN HA 1 38 VAL MG2 . . 4.200 3.885 3.747 4.030 . 0 0 "[ . 1 . 2]" 1
864 1 37 ASN HA 1 40 GLY H . . 4.920 4.366 4.256 4.595 . 0 0 "[ . 1 . 2]" 1
865 1 37 ASN HA 1 41 ARG H . . 4.320 4.083 3.915 4.297 . 0 0 "[ . 1 . 2]" 1
866 1 37 ASN HA 1 42 LEU MD1 . . 3.970 2.472 2.185 2.654 . 0 0 "[ . 1 . 2]" 1
867 1 37 ASN HB2 1 38 VAL H . . 4.510 4.369 4.283 4.415 . 0 0 "[ . 1 . 2]" 1
868 1 37 ASN HB2 1 42 LEU MD1 . . 3.610 2.009 1.881 2.129 . 0 0 "[ . 1 . 2]" 1
869 1 37 ASN HB3 1 38 VAL H . . 4.850 4.453 4.368 4.514 . 0 0 "[ . 1 . 2]" 1
870 1 37 ASN HB3 1 42 LEU MD1 . . 3.480 3.365 3.185 3.482 0.002 17 0 "[ . 1 . 2]" 1
871 1 37 ASN HD21 1 42 LEU MD1 . . 4.140 2.424 1.752 2.986 . 0 0 "[ . 1 . 2]" 1
872 1 37 ASN HD21 1 42 LEU MD2 . . 4.420 3.869 3.014 4.411 . 0 0 "[ . 1 . 2]" 1
873 1 37 ASN HD22 1 40 GLY H . . 4.890 3.511 2.927 3.878 . 0 0 "[ . 1 . 2]" 1
874 1 37 ASN HD22 1 42 LEU MD1 . . 4.280 3.077 2.795 3.331 . 0 0 "[ . 1 . 2]" 1
875 1 37 ASN HD22 1 42 LEU MD2 . . 5.020 3.675 3.167 4.035 . 0 0 "[ . 1 . 2]" 1
876 1 38 VAL H 1 38 VAL HB . . 3.700 2.605 2.551 2.667 . 0 0 "[ . 1 . 2]" 1
877 1 38 VAL H 1 38 VAL MG1 . . 4.060 3.834 3.801 3.860 . 0 0 "[ . 1 . 2]" 1
878 1 38 VAL H 1 38 VAL MG2 . . 3.480 2.754 2.607 2.902 . 0 0 "[ . 1 . 2]" 1
879 1 38 VAL H 1 40 GLY H . . 4.080 3.704 3.383 4.061 . 0 0 "[ . 1 . 2]" 1
880 1 38 VAL H 1 41 ARG H . . 3.700 2.741 2.591 2.908 . 0 0 "[ . 1 . 2]" 1
881 1 38 VAL H 1 42 LEU MD1 . . 4.220 3.972 3.591 4.237 0.017 18 0 "[ . 1 . 2]" 1
882 1 38 VAL H 1 58 TRP HZ3 . . 4.820 4.140 3.631 4.515 . 0 0 "[ . 1 . 2]" 1
883 1 38 VAL HA 1 38 VAL MG1 . . 3.060 2.378 2.301 2.471 . 0 0 "[ . 1 . 2]" 1
884 1 38 VAL HA 1 38 VAL MG2 . . 3.200 2.329 2.251 2.458 . 0 0 "[ . 1 . 2]" 1
885 1 38 VAL HB 1 41 ARG H . . 4.210 3.636 3.489 3.766 . 0 0 "[ . 1 . 2]" 1
886 1 38 VAL HB 1 58 TRP HH2 . . 4.840 4.279 3.931 4.581 . 0 0 "[ . 1 . 2]" 1
887 1 38 VAL HB 1 58 TRP HZ3 . . 4.350 2.952 2.523 3.262 . 0 0 "[ . 1 . 2]" 1
888 1 38 VAL MG1 1 41 ARG H . . 4.870 4.149 4.010 4.324 . 0 0 "[ . 1 . 2]" 1
889 1 38 VAL MG1 1 58 TRP HH2 . . 4.970 4.720 4.308 4.975 0.005 16 0 "[ . 1 . 2]" 1
890 1 38 VAL MG1 1 58 TRP HZ3 . . 4.850 4.087 3.746 4.389 . 0 0 "[ . 1 . 2]" 1
891 1 38 VAL MG2 1 41 ARG H . . 4.790 4.662 4.559 4.736 . 0 0 "[ . 1 . 2]" 1
892 1 38 VAL MG2 1 58 TRP HH2 . . 3.470 2.907 2.515 3.228 . 0 0 "[ . 1 . 2]" 1
893 1 38 VAL MG2 1 58 TRP HZ2 . . 5.390 4.899 4.484 5.183 . 0 0 "[ . 1 . 2]" 1
894 1 38 VAL MG2 1 58 TRP HZ3 . . 3.610 3.056 2.590 3.592 . 0 0 "[ . 1 . 2]" 1
895 1 39 GLY HA2 1 41 ARG H . . 4.660 4.365 4.184 4.451 . 0 0 "[ . 1 . 2]" 1
896 1 39 GLY HA3 1 41 ARG H . . 4.320 4.008 3.939 4.059 . 0 0 "[ . 1 . 2]" 1
897 1 40 GLY H 1 41 ARG H . . 3.320 2.390 2.267 2.516 . 0 0 "[ . 1 . 2]" 1
898 1 40 GLY HA2 1 41 ARG HB2 . . 5.500 5.514 5.493 5.535 0.035 11 0 "[ . 1 . 2]" 1
899 1 40 GLY HA2 1 42 LEU MD1 . . 4.300 3.937 3.708 4.195 . 0 0 "[ . 1 . 2]" 1
900 1 40 GLY HA2 1 60 PHE QE . . 4.430 3.757 3.542 3.995 . 0 0 "[ . 1 . 2]" 1
901 1 40 GLY HA2 1 61 TYR QD . . 3.930 2.399 2.154 2.746 . 0 0 "[ . 1 . 2]" 1
902 1 40 GLY HA2 1 61 TYR QE . . 4.370 3.489 3.141 3.978 . 0 0 "[ . 1 . 2]" 1
903 1 40 GLY HA3 1 42 LEU H . . 5.500 5.201 4.925 5.440 . 0 0 "[ . 1 . 2]" 1
904 1 40 GLY HA3 1 42 LEU MD1 . . 5.500 5.259 4.951 5.493 . 0 0 "[ . 1 . 2]" 1
905 1 40 GLY HA3 1 60 PHE QE . . 5.200 2.235 1.988 2.592 . 0 0 "[ . 1 . 2]" 1
906 1 40 GLY HA3 1 61 TYR QD . . 4.040 2.605 2.107 3.266 . 0 0 "[ . 1 . 2]" 1
907 1 40 GLY HA3 1 61 TYR QE . . 4.300 2.677 2.105 3.678 . 0 0 "[ . 1 . 2]" 1
908 1 41 ARG H 1 41 ARG HB2 . . 3.230 2.208 2.185 2.251 . 0 0 "[ . 1 . 2]" 1
909 1 41 ARG H 1 41 ARG HB3 . . 3.580 3.495 3.478 3.530 . 0 0 "[ . 1 . 2]" 1
910 1 41 ARG H 1 41 ARG QG . . 3.710 3.278 2.878 3.659 . 0 0 "[ . 1 . 2]" 1
911 1 41 ARG H 1 42 LEU H . . 4.380 4.104 3.959 4.220 . 0 0 "[ . 1 . 2]" 1
912 1 41 ARG H 1 42 LEU MD1 . . 4.780 4.460 3.997 4.787 0.007 17 0 "[ . 1 . 2]" 1
913 1 41 ARG H 1 60 PHE QD . . 4.410 4.055 3.832 4.280 . 0 0 "[ . 1 . 2]" 1
914 1 41 ARG H 1 60 PHE QE . . 4.890 3.434 2.934 3.737 . 0 0 "[ . 1 . 2]" 1
915 1 41 ARG HA 1 42 LEU H . . 3.140 2.244 2.186 2.328 . 0 0 "[ . 1 . 2]" 1
916 1 41 ARG HA 1 59 LEU H . . 4.930 4.451 4.289 4.626 . 0 0 "[ . 1 . 2]" 1
917 1 41 ARG HA 1 60 PHE HA . . 3.720 3.132 3.045 3.244 . 0 0 "[ . 1 . 2]" 1
918 1 41 ARG HA 1 60 PHE QD . . 3.970 2.635 2.255 2.924 . 0 0 "[ . 1 . 2]" 1
919 1 41 ARG HA 1 61 TYR H . . 4.660 4.471 4.125 4.668 0.008 1 0 "[ . 1 . 2]" 1
920 1 41 ARG HB2 1 41 ARG QD . . 3.880 2.639 2.146 3.409 . 0 0 "[ . 1 . 2]" 1
921 1 41 ARG HB2 1 58 TRP HE3 . . 4.580 4.019 3.715 4.316 . 0 0 "[ . 1 . 2]" 1
922 1 41 ARG HB2 1 58 TRP HZ3 . . 4.820 3.121 2.849 3.382 . 0 0 "[ . 1 . 2]" 1
923 1 41 ARG HB2 1 60 PHE QD . . 4.870 4.758 4.454 4.883 0.013 17 0 "[ . 1 . 2]" 1
924 1 41 ARG HB3 1 42 LEU H . . 4.420 4.016 3.885 4.146 . 0 0 "[ . 1 . 2]" 1
925 1 41 ARG HB3 1 58 TRP HE3 . . 4.150 2.332 2.031 2.624 . 0 0 "[ . 1 . 2]" 1
926 1 41 ARG QD 1 60 PHE QD . . 4.690 3.734 2.844 4.693 0.003 14 0 "[ . 1 . 2]" 1
927 1 41 ARG QG 1 42 LEU H . . 4.460 4.251 4.094 4.478 0.018 7 0 "[ . 1 . 2]" 1
928 1 41 ARG QG 1 58 TRP HE3 . . 4.200 3.103 2.505 3.787 . 0 0 "[ . 1 . 2]" 1
929 1 41 ARG QG 1 58 TRP HZ3 . . 5.250 3.385 2.680 4.145 . 0 0 "[ . 1 . 2]" 1
930 1 41 ARG QG 1 60 PHE HA . . 4.710 4.400 4.108 4.604 . 0 0 "[ . 1 . 2]" 1
931 1 41 ARG QG 1 60 PHE QD . . 3.960 2.881 2.461 3.340 . 0 0 "[ . 1 . 2]" 1
932 1 42 LEU H 1 42 LEU HB2 . . 3.610 2.420 2.353 2.508 . 0 0 "[ . 1 . 2]" 1
933 1 42 LEU H 1 42 LEU HB3 . . 4.040 3.616 3.589 3.657 . 0 0 "[ . 1 . 2]" 1
934 1 42 LEU H 1 42 LEU MD1 . . 3.850 3.477 3.166 3.671 . 0 0 "[ . 1 . 2]" 1
935 1 42 LEU H 1 42 LEU MD2 . . 3.920 1.960 1.842 2.189 . 0 0 "[ . 1 . 2]" 1
936 1 42 LEU H 1 42 LEU HG . . 4.390 3.974 3.811 4.162 . 0 0 "[ . 1 . 2]" 1
937 1 42 LEU H 1 43 ARG H . . 4.660 4.385 4.325 4.483 . 0 0 "[ . 1 . 2]" 1
938 1 42 LEU H 1 44 LEU MD1 . . 5.500 5.492 5.448 5.507 0.007 19 0 "[ . 1 . 2]" 1
939 1 42 LEU H 1 58 TRP HB3 . . 5.490 5.368 4.953 5.491 0.001 9 0 "[ . 1 . 2]" 1
940 1 42 LEU H 1 59 LEU H . . 3.790 3.616 3.381 3.781 . 0 0 "[ . 1 . 2]" 1
941 1 42 LEU H 1 60 PHE QD . . 4.510 4.010 3.646 4.410 . 0 0 "[ . 1 . 2]" 1
942 1 42 LEU H 1 61 TYR H . . 4.430 3.718 3.428 4.089 . 0 0 "[ . 1 . 2]" 1
943 1 42 LEU HA 1 42 LEU MD1 . . 2.990 2.007 1.922 2.138 . 0 0 "[ . 1 . 2]" 1
944 1 42 LEU HA 1 42 LEU MD2 . . 4.400 2.997 2.808 3.261 . 0 0 "[ . 1 . 2]" 1
945 1 42 LEU HA 1 43 ARG H . . 3.010 2.145 2.139 2.156 . 0 0 "[ . 1 . 2]" 1
946 1 42 LEU HA 1 59 LEU H . . 5.290 4.942 4.810 5.061 . 0 0 "[ . 1 . 2]" 1
947 1 42 LEU HB2 1 42 LEU MD2 . . 3.230 2.236 2.087 2.346 . 0 0 "[ . 1 . 2]" 1
948 1 42 LEU HB2 1 43 ARG H . . 4.430 4.344 4.141 4.430 . 0 0 "[ . 1 . 2]" 1
949 1 42 LEU HB2 1 44 LEU H . . 5.500 4.823 4.535 5.116 . 0 0 "[ . 1 . 2]" 1
950 1 42 LEU HB2 1 44 LEU MD1 . . 4.270 3.945 3.799 4.017 . 0 0 "[ . 1 . 2]" 1
951 1 42 LEU HB2 1 44 LEU MD2 . . 4.220 3.656 3.444 3.955 . 0 0 "[ . 1 . 2]" 1
952 1 42 LEU HB2 1 44 LEU HG . . 4.410 3.665 3.521 3.805 . 0 0 "[ . 1 . 2]" 1
953 1 42 LEU HB2 1 59 LEU H . . 4.240 3.862 3.655 4.025 . 0 0 "[ . 1 . 2]" 1
954 1 42 LEU HB3 1 43 ARG H . . 4.810 3.546 3.237 3.680 . 0 0 "[ . 1 . 2]" 1
955 1 42 LEU HB3 1 44 LEU MD2 . . 3.390 2.990 2.698 3.239 . 0 0 "[ . 1 . 2]" 1
956 1 42 LEU HB3 1 44 LEU HG . . 4.330 3.449 3.176 3.629 . 0 0 "[ . 1 . 2]" 1
957 1 42 LEU HB3 1 59 LEU H . . 5.400 4.885 4.606 5.054 . 0 0 "[ . 1 . 2]" 1
958 1 42 LEU MD1 1 43 ARG H . . 3.690 3.525 3.395 3.634 . 0 0 "[ . 1 . 2]" 1
959 1 42 LEU MD1 1 61 TYR HB3 . . 4.560 4.183 3.942 4.429 . 0 0 "[ . 1 . 2]" 1
960 1 42 LEU MD1 1 61 TYR QD . . 4.990 4.888 4.604 4.997 0.007 10 0 "[ . 1 . 2]" 1
961 1 42 LEU MD2 1 43 ARG H . . 5.500 4.759 4.608 4.939 . 0 0 "[ . 1 . 2]" 1
962 1 42 LEU MD2 1 59 LEU H . . 5.190 4.733 4.416 4.868 . 0 0 "[ . 1 . 2]" 1
963 1 42 LEU MD2 1 60 PHE HA . . 5.080 2.855 2.647 3.065 . 0 0 "[ . 1 . 2]" 1
964 1 42 LEU MD2 1 61 TYR H . . 4.140 2.119 1.867 2.430 . 0 0 "[ . 1 . 2]" 1
965 1 42 LEU MD2 1 61 TYR HA . . 3.380 3.132 2.671 3.329 . 0 0 "[ . 1 . 2]" 1
966 1 42 LEU MD2 1 61 TYR HB2 . . 3.790 3.477 3.261 3.774 . 0 0 "[ . 1 . 2]" 1
967 1 42 LEU MD2 1 61 TYR HB3 . . 3.830 2.056 1.892 2.345 . 0 0 "[ . 1 . 2]" 1
968 1 42 LEU MD2 1 61 TYR QD . . 4.030 2.912 2.655 3.085 . 0 0 "[ . 1 . 2]" 1
969 1 42 LEU HG 1 60 PHE HA . . 5.500 5.457 5.291 5.528 0.028 17 0 "[ . 1 . 2]" 1
970 1 42 LEU HG 1 61 TYR H . . 4.830 4.384 4.140 4.834 0.004 1 0 "[ . 1 . 2]" 1
971 1 42 LEU HG 1 61 TYR HA . . 4.730 4.209 3.865 4.640 . 0 0 "[ . 1 . 2]" 1
972 1 42 LEU HG 1 61 TYR HB3 . . 4.950 3.736 3.198 4.203 . 0 0 "[ . 1 . 2]" 1
973 1 43 ARG H 1 43 ARG HB2 . . 4.030 2.843 2.721 2.953 . 0 0 "[ . 1 . 2]" 1
974 1 43 ARG H 1 43 ARG QB . . 3.250 2.265 2.211 2.319 . 0 0 "[ . 1 . 2]" 1
975 1 43 ARG H 1 43 ARG HB3 . . 4.030 2.382 2.293 2.504 . 0 0 "[ . 1 . 2]" 1
976 1 43 ARG H 1 43 ARG QG . . 4.590 3.950 3.890 3.999 . 0 0 "[ . 1 . 2]" 1
977 1 43 ARG H 1 44 LEU H . . 4.470 4.127 3.986 4.264 . 0 0 "[ . 1 . 2]" 1
978 1 43 ARG H 1 44 LEU MD2 . . 5.420 4.991 4.650 5.178 . 0 0 "[ . 1 . 2]" 1
979 1 43 ARG HA 1 43 ARG HG2 . . 4.150 3.228 3.102 3.374 . 0 0 "[ . 1 . 2]" 1
980 1 43 ARG HA 1 43 ARG HG3 . . 4.150 2.670 2.467 2.756 . 0 0 "[ . 1 . 2]" 1
981 1 43 ARG HA 1 44 LEU H . . 3.050 2.227 2.174 2.258 . 0 0 "[ . 1 . 2]" 1
982 1 43 ARG HA 1 44 LEU MD1 . . 5.220 4.858 4.748 5.062 . 0 0 "[ . 1 . 2]" 1
983 1 43 ARG HA 1 44 LEU HG . . 4.310 3.929 3.834 4.036 . 0 0 "[ . 1 . 2]" 1
984 1 43 ARG HA 1 58 TRP HA . . 3.690 2.192 2.072 2.466 . 0 0 "[ . 1 . 2]" 1
985 1 43 ARG HA 1 58 TRP HE1 . . 5.060 4.515 4.306 4.722 . 0 0 "[ . 1 . 2]" 1
986 1 43 ARG HA 1 58 TRP HE3 . . 5.500 4.466 4.298 4.750 . 0 0 "[ . 1 . 2]" 1
987 1 43 ARG HA 1 59 LEU H . . 4.280 3.416 3.269 3.724 . 0 0 "[ . 1 . 2]" 1
988 1 43 ARG QB 1 44 LEU H . . 4.140 4.004 3.957 4.026 . 0 0 "[ . 1 . 2]" 1
989 1 43 ARG QB 1 58 TRP HE1 . . 4.230 3.408 3.180 3.694 . 0 0 "[ . 1 . 2]" 1
990 1 43 ARG QB 1 58 TRP HZ2 . . 4.250 3.211 3.084 3.430 . 0 0 "[ . 1 . 2]" 1
991 1 43 ARG HB2 1 44 LEU H . . 4.840 4.484 4.397 4.559 . 0 0 "[ . 1 . 2]" 1
992 1 43 ARG HB2 1 58 TRP HE1 . . 4.830 3.507 3.265 3.834 . 0 0 "[ . 1 . 2]" 1
993 1 43 ARG HB2 1 58 TRP HZ2 . . 5.110 3.308 3.166 3.538 . 0 0 "[ . 1 . 2]" 1
994 1 43 ARG HB3 1 44 LEU H . . 4.840 4.506 4.459 4.534 . 0 0 "[ . 1 . 2]" 1
995 1 43 ARG HB3 1 58 TRP HE1 . . 4.830 4.641 4.387 4.830 0.000 15 0 "[ . 1 . 2]" 1
996 1 43 ARG HB3 1 58 TRP HZ2 . . 5.110 4.349 4.181 4.759 . 0 0 "[ . 1 . 2]" 1
997 1 43 ARG HD2 1 58 TRP HD1 . . 5.070 4.485 4.134 5.071 0.001 11 0 "[ . 1 . 2]" 1
998 1 43 ARG HD2 1 58 TRP HE1 . . 4.040 2.343 1.896 2.941 . 0 0 "[ . 1 . 2]" 1
999 1 43 ARG HD2 1 58 TRP HH2 . . 5.320 4.106 3.738 5.083 . 0 0 "[ . 1 . 2]" 1
1000 1 43 ARG HD2 1 58 TRP HZ2 . . 4.080 2.121 1.999 2.783 . 0 0 "[ . 1 . 2]" 1
1001 1 43 ARG HD3 1 58 TRP HE1 . . 4.200 3.756 2.897 4.169 . 0 0 "[ . 1 . 2]" 1
1002 1 43 ARG HD3 1 58 TRP HZ2 . . 4.370 3.547 2.135 4.059 . 0 0 "[ . 1 . 2]" 1
1003 1 43 ARG HE 1 56 ASP QB . . 4.470 2.485 2.024 4.478 0.008 15 0 "[ . 1 . 2]" 1
1004 1 43 ARG HE 1 58 TRP HZ2 . . 4.920 4.487 3.729 4.900 . 0 0 "[ . 1 . 2]" 1
1005 1 43 ARG QG 1 44 LEU H . . 3.610 3.538 3.367 3.627 0.017 14 0 "[ . 1 . 2]" 1
1006 1 43 ARG QG 1 56 ASP QB . . 4.120 2.873 2.683 3.183 . 0 0 "[ . 1 . 2]" 1
1007 1 43 ARG QG 1 57 GLN H . . 4.850 3.489 3.104 4.174 . 0 0 "[ . 1 . 2]" 1
1008 1 43 ARG QG 1 58 TRP HE1 . . 4.170 2.408 2.228 2.703 . 0 0 "[ . 1 . 2]" 1
1009 1 43 ARG QG 1 58 TRP HZ2 . . 4.890 3.890 3.595 4.086 . 0 0 "[ . 1 . 2]" 1
1010 1 43 ARG HG2 1 44 LEU H . . 4.210 3.985 3.808 4.190 . 0 0 "[ . 1 . 2]" 1
1011 1 43 ARG HG2 1 58 TRP HE1 . . 4.790 3.900 3.697 4.125 . 0 0 "[ . 1 . 2]" 1
1012 1 43 ARG HG3 1 44 LEU H . . 4.210 3.972 3.619 4.171 . 0 0 "[ . 1 . 2]" 1
1013 1 43 ARG HG3 1 58 TRP HE1 . . 4.790 2.432 2.244 2.741 . 0 0 "[ . 1 . 2]" 1
1014 1 44 LEU H 1 44 LEU HB2 . . 3.290 2.619 2.578 2.663 . 0 0 "[ . 1 . 2]" 1
1015 1 44 LEU H 1 44 LEU MD1 . . 3.730 3.254 3.193 3.397 . 0 0 "[ . 1 . 2]" 1
1016 1 44 LEU H 1 44 LEU MD2 . . 4.270 3.579 3.437 3.697 . 0 0 "[ . 1 . 2]" 1
1017 1 44 LEU H 1 44 LEU HG . . 4.080 2.139 2.025 2.257 . 0 0 "[ . 1 . 2]" 1
1018 1 44 LEU H 1 56 ASP QB . . 5.340 5.282 5.002 5.344 0.004 10 0 "[ . 1 . 2]" 1
1019 1 44 LEU H 1 57 GLN H . . 4.150 4.081 3.923 4.156 0.006 7 0 "[ . 1 . 2]" 1
1020 1 44 LEU H 1 57 GLN QG . . 4.740 4.246 3.058 4.731 . 0 0 "[ . 1 . 2]" 1
1021 1 44 LEU H 1 58 TRP HA . . 4.100 2.850 2.666 3.030 . 0 0 "[ . 1 . 2]" 1
1022 1 44 LEU HA 1 44 LEU MD1 . . 4.080 3.979 3.964 3.996 . 0 0 "[ . 1 . 2]" 1
1023 1 44 LEU HA 1 44 LEU MD2 . . 3.200 2.506 2.328 2.656 . 0 0 "[ . 1 . 2]" 1
1024 1 44 LEU HA 1 44 LEU HG . . 3.990 3.020 2.959 3.112 . 0 0 "[ . 1 . 2]" 1
1025 1 44 LEU HA 1 45 ARG H . . 3.070 2.265 2.202 2.361 . 0 0 "[ . 1 . 2]" 1
1026 1 44 LEU HB2 1 57 GLN H . . 4.830 4.179 3.718 4.375 . 0 0 "[ . 1 . 2]" 1
1027 1 44 LEU HB2 1 57 GLN QB . . 4.540 3.202 2.421 4.466 . 0 0 "[ . 1 . 2]" 1
1028 1 44 LEU HB2 1 57 GLN QG . . 4.680 3.582 2.201 4.348 . 0 0 "[ . 1 . 2]" 1
1029 1 44 LEU HB3 1 45 ARG H . . 3.850 2.816 2.566 3.018 . 0 0 "[ . 1 . 2]" 1
1030 1 44 LEU MD1 1 57 GLN H . . 5.500 5.370 5.029 5.517 0.017 16 0 "[ . 1 . 2]" 1
1031 1 44 LEU MD1 1 57 GLN QB . . 4.500 3.795 3.399 4.502 0.002 12 0 "[ . 1 . 2]" 1
1032 1 44 LEU MD1 1 57 GLN QG . . 3.800 3.295 2.666 3.767 . 0 0 "[ . 1 . 2]" 1
1033 1 44 LEU MD1 1 58 TRP H . . 5.500 5.385 5.130 5.500 . 0 0 "[ . 1 . 2]" 1
1034 1 44 LEU MD1 1 58 TRP HA . . 4.710 4.415 4.293 4.642 . 0 0 "[ . 1 . 2]" 1
1035 1 44 LEU MD1 1 59 LEU H . . 4.160 3.860 3.717 4.090 . 0 0 "[ . 1 . 2]" 1
1036 1 44 LEU MD1 1 59 LEU HB2 . . 3.450 2.061 1.961 2.268 . 0 0 "[ . 1 . 2]" 1
1037 1 44 LEU MD2 1 45 ARG H . . 3.820 3.754 3.576 3.830 0.010 16 0 "[ . 1 . 2]" 1
1038 1 44 LEU HG 1 58 TRP HA . . 4.690 4.293 4.037 4.538 . 0 0 "[ . 1 . 2]" 1
1039 1 45 ARG H 1 45 ARG QB . . 3.320 2.640 2.529 2.797 . 0 0 "[ . 1 . 2]" 1
1040 1 45 ARG QB 1 45 ARG QH1 . . 4.080 3.558 2.866 3.797 . 0 0 "[ . 1 . 2]" 1
1041 1 45 ARG QB 1 46 TYR H . . 4.610 3.835 3.583 3.939 . 0 0 "[ . 1 . 2]" 1
1042 1 45 ARG QD 1 50 GLU HA . . 3.760 2.262 1.924 2.735 . 0 0 "[ . 1 . 2]" 1
1043 1 45 ARG QD 1 50 GLU QB . . 4.320 3.848 3.253 4.320 0.000 6 0 "[ . 1 . 2]" 1
1044 1 45 ARG HE 1 50 GLU HA . . 4.540 3.158 2.143 4.529 . 0 0 "[ . 1 . 2]" 1
1045 1 45 ARG QG 1 46 TYR H . . 3.600 2.977 2.432 3.285 . 0 0 "[ . 1 . 2]" 1
1046 1 45 ARG QG 1 50 GLU H . . 4.830 4.606 4.276 4.828 . 0 0 "[ . 1 . 2]" 1
1047 1 45 ARG QG 1 50 GLU HA . . 4.150 3.726 3.146 4.070 . 0 0 "[ . 1 . 2]" 1
1048 1 45 ARG HG2 1 45 ARG QH1 . . 4.580 3.759 1.887 4.404 . 0 0 "[ . 1 . 2]" 1
1049 1 45 ARG HG2 1 46 TYR H . . 4.170 3.275 2.513 3.785 . 0 0 "[ . 1 . 2]" 1
1050 1 45 ARG HG3 1 45 ARG QH1 . . 4.580 3.817 1.891 4.399 . 0 0 "[ . 1 . 2]" 1
1051 1 45 ARG HG3 1 46 TYR H . . 4.170 3.500 2.813 3.819 . 0 0 "[ . 1 . 2]" 1
1052 1 45 ARG QH1 1 50 GLU HA . . 5.210 2.917 2.011 4.306 . 0 0 "[ . 1 . 2]" 1
1053 1 46 TYR H 1 46 TYR HB2 . . 3.710 2.753 2.579 2.871 . 0 0 "[ . 1 . 2]" 1
1054 1 46 TYR H 1 46 TYR HB3 . . 4.050 3.584 3.571 3.604 . 0 0 "[ . 1 . 2]" 1
1055 1 46 TYR H 1 46 TYR QD . . 3.880 2.904 2.767 3.122 . 0 0 "[ . 1 . 2]" 1
1056 1 46 TYR H 1 46 TYR QE . . 4.990 4.118 3.994 4.397 . 0 0 "[ . 1 . 2]" 1
1057 1 46 TYR H 1 49 LEU HB2 . . 4.920 4.660 4.155 4.922 0.002 13 0 "[ . 1 . 2]" 1
1058 1 46 TYR H 1 49 LEU MD1 . . 4.330 3.753 3.368 3.992 . 0 0 "[ . 1 . 2]" 1
1059 1 46 TYR HA 1 47 VAL H . . 3.220 2.145 2.138 2.202 . 0 0 "[ . 1 . 2]" 1
1060 1 46 TYR HA 1 47 VAL MG1 . . 4.170 3.845 3.691 4.028 . 0 0 "[ . 1 . 2]" 1
1061 1 46 TYR HA 1 47 VAL MG2 . . 4.040 3.696 3.550 3.830 . 0 0 "[ . 1 . 2]" 1
1062 1 46 TYR HB2 1 47 VAL H . . 4.380 4.218 3.908 4.351 . 0 0 "[ . 1 . 2]" 1
1063 1 46 TYR HB2 1 49 LEU H . . 4.750 4.191 3.998 4.347 . 0 0 "[ . 1 . 2]" 1
1064 1 46 TYR HB2 1 49 LEU HB2 . . 4.820 3.551 3.340 3.821 . 0 0 "[ . 1 . 2]" 1
1065 1 46 TYR HB2 1 49 LEU MD1 . . 3.400 2.024 1.797 2.248 . 0 0 "[ . 1 . 2]" 1
1066 1 46 TYR HB2 1 49 LEU MD2 . . 4.700 4.510 4.338 4.625 . 0 0 "[ . 1 . 2]" 1
1067 1 46 TYR HB2 1 49 LEU HG . . 4.420 3.579 3.265 3.811 . 0 0 "[ . 1 . 2]" 1
1068 1 46 TYR HB2 1 85 ILE MD . . 3.760 2.822 2.555 3.125 . 0 0 "[ . 1 . 2]" 1
1069 1 46 TYR HB3 1 47 VAL H . . 4.150 3.496 3.032 3.720 . 0 0 "[ . 1 . 2]" 1
1070 1 46 TYR HB3 1 49 LEU MD1 . . 3.930 3.121 2.661 3.525 . 0 0 "[ . 1 . 2]" 1
1071 1 46 TYR HB3 1 49 LEU HG . . 4.690 4.495 4.169 4.617 . 0 0 "[ . 1 . 2]" 1
1072 1 46 TYR HB3 1 85 ILE MD . . 3.540 2.575 2.346 2.853 . 0 0 "[ . 1 . 2]" 1
1073 1 46 TYR HB3 1 85 ILE MG . . 4.570 4.249 3.859 4.528 . 0 0 "[ . 1 . 2]" 1
1074 1 46 TYR QD 1 47 VAL H . . 4.260 4.104 3.960 4.214 . 0 0 "[ . 1 . 2]" 1
1075 1 46 TYR QD 1 47 VAL MG1 . . 5.440 5.331 5.166 5.441 0.001 9 0 "[ . 1 . 2]" 1
1076 1 46 TYR QD 1 47 VAL MG2 . . 5.500 4.944 4.777 5.095 . 0 0 "[ . 1 . 2]" 1
1077 1 46 TYR QD 1 49 LEU MD1 . . 3.550 2.406 2.045 2.559 . 0 0 "[ . 1 . 2]" 1
1078 1 46 TYR QD 1 49 LEU MD2 . . 4.840 4.713 4.308 4.836 . 0 0 "[ . 1 . 2]" 1
1079 1 46 TYR QD 1 55 TYR QB . . 4.280 2.898 2.687 3.236 . 0 0 "[ . 1 . 2]" 1
1080 1 46 TYR QD 1 55 TYR QD . . 4.880 4.764 4.392 4.884 0.004 10 0 "[ . 1 . 2]" 1
1081 1 46 TYR QD 1 57 GLN QE . . 5.340 4.784 3.058 5.302 . 0 0 "[ . 1 . 2]" 1
1082 1 46 TYR QD 1 85 ILE MD . . 3.640 2.593 2.245 2.987 . 0 0 "[ . 1 . 2]" 1
1083 1 46 TYR QD 1 85 ILE MG . . 3.850 2.388 1.969 2.724 . 0 0 "[ . 1 . 2]" 1
1084 1 46 TYR QE 1 49 LEU MD1 . . 4.550 4.199 3.816 4.377 . 0 0 "[ . 1 . 2]" 1
1085 1 46 TYR QE 1 55 TYR QB . . 4.080 3.569 2.749 3.934 . 0 0 "[ . 1 . 2]" 1
1086 1 46 TYR QE 1 57 GLN QB . . 4.410 3.780 3.367 4.414 0.004 20 0 "[ . 1 . 2]" 1
1087 1 46 TYR QE 1 57 GLN HE21 . . 4.470 3.527 3.067 4.212 . 0 0 "[ . 1 . 2]" 1
1088 1 46 TYR QE 1 57 GLN QE . . 3.930 3.133 2.485 3.630 . 0 0 "[ . 1 . 2]" 1
1089 1 46 TYR QE 1 57 GLN HE22 . . 4.470 3.709 2.623 4.454 . 0 0 "[ . 1 . 2]" 1
1090 1 46 TYR QE 1 82 PRO HB3 . . 5.500 5.222 4.830 5.480 . 0 0 "[ . 1 . 2]" 1
1091 1 46 TYR QE 1 82 PRO QG . . 4.010 3.285 2.960 3.527 . 0 0 "[ . 1 . 2]" 1
1092 1 46 TYR QE 1 85 ILE MD . . 4.130 3.856 3.410 4.131 0.001 6 0 "[ . 1 . 2]" 1
1093 1 46 TYR QE 1 85 ILE MG . . 3.850 3.199 2.881 3.563 . 0 0 "[ . 1 . 2]" 1
1094 1 47 VAL H 1 47 VAL HB . . 3.700 3.619 3.607 3.637 . 0 0 "[ . 1 . 2]" 1
1095 1 47 VAL H 1 47 VAL MG1 . . 3.300 2.188 1.971 2.385 . 0 0 "[ . 1 . 2]" 1
1096 1 47 VAL H 1 47 VAL MG2 . . 3.260 2.167 1.959 2.313 . 0 0 "[ . 1 . 2]" 1
1097 1 47 VAL H 1 48 GLY H . . 4.620 4.603 4.578 4.623 0.003 7 0 "[ . 1 . 2]" 1
1098 1 47 VAL H 1 97 THR MG . . 4.890 4.685 4.401 4.880 . 0 0 "[ . 1 . 2]" 1
1099 1 47 VAL HA 1 47 VAL MG1 . . 3.030 2.285 2.176 2.365 . 0 0 "[ . 1 . 2]" 1
1100 1 47 VAL HA 1 47 VAL MG2 . . 3.630 3.193 3.179 3.203 . 0 0 "[ . 1 . 2]" 1
1101 1 47 VAL HA 1 48 GLY H . . 3.050 2.198 2.171 2.224 . 0 0 "[ . 1 . 2]" 1
1102 1 47 VAL HA 1 48 GLY HA2 . . 4.510 4.468 4.443 4.489 . 0 0 "[ . 1 . 2]" 1
1103 1 47 VAL HA 1 48 GLY HA3 . . 4.590 4.418 4.403 4.434 . 0 0 "[ . 1 . 2]" 1
1104 1 47 VAL HA 1 49 LEU H . . 4.090 3.510 3.407 3.682 . 0 0 "[ . 1 . 2]" 1
1105 1 47 VAL HA 1 50 GLU H . . 4.690 4.576 3.961 4.703 0.013 16 0 "[ . 1 . 2]" 1
1106 1 47 VAL HA 1 97 THR MG . . 4.250 4.170 3.855 4.265 0.015 3 0 "[ . 1 . 2]" 1
1107 1 47 VAL HB 1 48 GLY H . . 3.770 3.014 2.909 3.148 . 0 0 "[ . 1 . 2]" 1
1108 1 47 VAL HB 1 97 THR MG . . 3.500 2.792 2.289 3.034 . 0 0 "[ . 1 . 2]" 1
1109 1 47 VAL MG1 1 48 GLY H . . 3.870 3.817 3.699 3.874 0.004 15 0 "[ . 1 . 2]" 1
1110 1 47 VAL MG1 1 101 SER H . . 4.970 4.814 4.529 4.973 0.003 20 0 "[ . 1 . 2]" 1
1111 1 47 VAL MG1 1 101 SER HB2 . . 3.990 3.252 2.375 3.609 . 0 0 "[ . 1 . 2]" 1
1112 1 47 VAL MG1 1 101 SER QB . . 3.370 2.654 2.155 2.959 . 0 0 "[ . 1 . 2]" 1
1113 1 47 VAL MG1 1 101 SER HB3 . . 3.990 2.856 2.275 3.602 . 0 0 "[ . 1 . 2]" 1
1114 1 47 VAL MG1 1 102 LEU H . . 5.500 5.471 5.183 5.507 0.007 18 0 "[ . 1 . 2]" 1
1115 1 47 VAL MG2 1 48 GLY H . . 4.130 3.898 3.725 4.019 . 0 0 "[ . 1 . 2]" 1
1116 1 47 VAL MG2 1 48 GLY HA3 . . 4.520 3.910 3.656 4.107 . 0 0 "[ . 1 . 2]" 1
1117 1 47 VAL MG2 1 97 THR MG . . 3.100 2.041 1.899 2.268 . 0 0 "[ . 1 . 2]" 1
1118 1 47 VAL MG2 1 101 SER HB2 . . 4.820 3.662 3.070 4.309 . 0 0 "[ . 1 . 2]" 1
1119 1 47 VAL MG2 1 101 SER QB . . 3.990 3.294 2.883 3.782 . 0 0 "[ . 1 . 2]" 1
1120 1 47 VAL MG2 1 101 SER HB3 . . 4.820 3.848 3.316 4.547 . 0 0 "[ . 1 . 2]" 1
1121 1 48 GLY H 1 49 LEU H . . 3.250 2.726 2.566 2.952 . 0 0 "[ . 1 . 2]" 1
1122 1 48 GLY H 1 50 GLU H . . 3.910 3.141 2.830 3.330 . 0 0 "[ . 1 . 2]" 1
1123 1 48 GLY H 1 97 THR MG . . 3.960 3.571 3.221 3.775 . 0 0 "[ . 1 . 2]" 1
1124 1 48 GLY HA2 1 97 THR MG . . 4.690 3.053 2.618 3.346 . 0 0 "[ . 1 . 2]" 1
1125 1 48 GLY HA3 1 49 LEU MD2 . . 4.640 4.392 4.085 4.586 . 0 0 "[ . 1 . 2]" 1
1126 1 48 GLY HA3 1 89 LYS HE2 . . 4.370 3.172 2.251 4.380 0.010 8 0 "[ . 1 . 2]" 1
1127 1 48 GLY HA3 1 89 LYS QE . . 3.750 2.715 2.238 3.753 0.003 5 0 "[ . 1 . 2]" 1
1128 1 48 GLY HA3 1 89 LYS HE3 . . 4.370 3.847 2.282 4.365 . 0 0 "[ . 1 . 2]" 1
1129 1 48 GLY HA3 1 94 TRP HE3 . . 4.890 3.808 3.426 4.229 . 0 0 "[ . 1 . 2]" 1
1130 1 48 GLY HA3 1 94 TRP HH2 . . 5.500 4.654 4.442 5.022 . 0 0 "[ . 1 . 2]" 1
1131 1 48 GLY HA3 1 97 THR MG . . 3.350 2.548 2.278 2.763 . 0 0 "[ . 1 . 2]" 1
1132 1 49 LEU H 1 49 LEU HB2 . . 3.220 2.591 2.480 2.663 . 0 0 "[ . 1 . 2]" 1
1133 1 49 LEU H 1 49 LEU HB3 . . 3.830 3.690 3.619 3.720 . 0 0 "[ . 1 . 2]" 1
1134 1 49 LEU H 1 49 LEU MD1 . . 3.970 3.517 3.367 3.697 . 0 0 "[ . 1 . 2]" 1
1135 1 49 LEU H 1 49 LEU MD2 . . 3.870 3.789 3.590 3.877 0.007 10 0 "[ . 1 . 2]" 1
1136 1 49 LEU H 1 49 LEU HG . . 3.570 2.511 2.402 2.626 . 0 0 "[ . 1 . 2]" 1
1137 1 49 LEU H 1 50 GLU H . . 3.340 2.733 2.388 2.840 . 0 0 "[ . 1 . 2]" 1
1138 1 49 LEU HB2 1 49 LEU MD1 . . 3.230 2.055 1.987 2.235 . 0 0 "[ . 1 . 2]" 1
1139 1 49 LEU HB2 1 52 THR MG . . 4.410 3.202 3.087 3.562 . 0 0 "[ . 1 . 2]" 1
1140 1 49 LEU HB2 1 85 ILE MD . . 5.000 4.847 4.646 4.986 . 0 0 "[ . 1 . 2]" 1
1141 1 49 LEU HB3 1 49 LEU MD1 . . 3.310 2.598 2.419 2.657 . 0 0 "[ . 1 . 2]" 1
1142 1 49 LEU HB3 1 49 LEU MD2 . . 3.450 2.189 2.095 2.310 . 0 0 "[ . 1 . 2]" 1
1143 1 49 LEU HB3 1 52 THR H . . 4.010 3.890 3.737 4.009 . 0 0 "[ . 1 . 2]" 1
1144 1 49 LEU HB3 1 52 THR HB . . 4.610 4.426 4.019 4.611 0.001 17 0 "[ . 1 . 2]" 1
1145 1 49 LEU HB3 1 52 THR MG . . 3.560 1.936 1.823 2.297 . 0 0 "[ . 1 . 2]" 1
1146 1 49 LEU MD1 1 52 THR MG . . 3.630 3.398 3.226 3.630 0.000 13 0 "[ . 1 . 2]" 1
1147 1 49 LEU MD1 1 55 TYR HB2 . . 4.230 2.264 1.917 2.646 . 0 0 "[ . 1 . 2]" 1
1148 1 49 LEU MD1 1 55 TYR QB . . 3.710 2.098 1.703 2.498 . 0 0 "[ . 1 . 2]" 1
1149 1 49 LEU MD1 1 55 TYR HB3 . . 4.230 2.592 1.906 3.430 . 0 0 "[ . 1 . 2]" 1
1150 1 49 LEU MD1 1 55 TYR QD . . 3.680 2.434 1.977 2.938 . 0 0 "[ . 1 . 2]" 1
1151 1 49 LEU MD1 1 55 TYR QE . . 4.460 4.108 3.735 4.433 . 0 0 "[ . 1 . 2]" 1
1152 1 49 LEU MD1 1 85 ILE HA . . 4.460 4.317 3.852 4.464 0.004 11 0 "[ . 1 . 2]" 1
1153 1 49 LEU MD1 1 85 ILE HB . . 4.120 2.721 2.180 2.885 . 0 0 "[ . 1 . 2]" 1
1154 1 49 LEU MD1 1 85 ILE MD . . 3.400 1.998 1.898 2.422 . 0 0 "[ . 1 . 2]" 1
1155 1 49 LEU MD1 1 85 ILE HG12 . . 4.650 4.246 3.918 4.405 . 0 0 "[ . 1 . 2]" 1
1156 1 49 LEU MD1 1 85 ILE MG . . 3.220 2.002 1.794 2.215 . 0 0 "[ . 1 . 2]" 1
1157 1 49 LEU MD1 1 89 LYS QD . . 4.490 3.813 3.546 4.050 . 0 0 "[ . 1 . 2]" 1
1158 1 49 LEU MD1 1 94 TRP HE3 . . 5.500 5.197 4.741 5.467 . 0 0 "[ . 1 . 2]" 1
1159 1 49 LEU MD1 1 94 TRP HH2 . . 3.720 2.093 1.966 2.257 . 0 0 "[ . 1 . 2]" 1
1160 1 49 LEU MD1 1 94 TRP HZ2 . . 4.880 3.888 3.613 4.047 . 0 0 "[ . 1 . 2]" 1
1161 1 49 LEU MD2 1 50 GLU H . . 4.940 4.844 4.709 4.929 . 0 0 "[ . 1 . 2]" 1
1162 1 49 LEU MD2 1 52 THR HB . . 4.460 4.301 3.674 4.460 0.000 15 0 "[ . 1 . 2]" 1
1163 1 49 LEU MD2 1 52 THR MG . . 3.390 2.403 2.023 2.734 . 0 0 "[ . 1 . 2]" 1
1164 1 49 LEU MD2 1 55 TYR QD . . 4.010 2.225 1.918 3.097 . 0 0 "[ . 1 . 2]" 1
1165 1 49 LEU MD2 1 55 TYR QE . . 4.680 3.111 2.714 3.608 . 0 0 "[ . 1 . 2]" 1
1166 1 49 LEU MD2 1 85 ILE HA . . 4.680 4.246 3.835 4.492 . 0 0 "[ . 1 . 2]" 1
1167 1 49 LEU MD2 1 85 ILE HB . . 4.020 2.928 2.590 3.197 . 0 0 "[ . 1 . 2]" 1
1168 1 49 LEU MD2 1 85 ILE MD . . 3.930 3.572 3.281 3.866 . 0 0 "[ . 1 . 2]" 1
1169 1 49 LEU MD2 1 89 LYS HE2 . . 4.410 3.876 3.105 4.484 0.074 13 0 "[ . 1 . 2]" 1
1170 1 49 LEU MD2 1 89 LYS QE . . 3.810 3.457 2.616 3.765 . 0 0 "[ . 1 . 2]" 1
1171 1 49 LEU MD2 1 89 LYS HE3 . . 4.410 4.082 2.817 4.430 0.020 15 0 "[ . 1 . 2]" 1
1172 1 49 LEU MD2 1 94 TRP HE3 . . 5.500 5.382 5.092 5.517 0.017 15 0 "[ . 1 . 2]" 1
1173 1 49 LEU MD2 1 94 TRP HH2 . . 3.660 2.122 1.916 2.432 . 0 0 "[ . 1 . 2]" 1
1174 1 49 LEU MD2 1 94 TRP HZ2 . . 4.320 3.069 2.697 3.468 . 0 0 "[ . 1 . 2]" 1
1175 1 49 LEU HG 1 55 TYR QD . . 5.080 4.492 3.963 5.089 0.009 11 0 "[ . 1 . 2]" 1
1176 1 49 LEU HG 1 85 ILE MD . . 4.790 3.519 3.228 3.720 . 0 0 "[ . 1 . 2]" 1
1177 1 49 LEU HG 1 85 ILE MG . . 4.640 4.218 3.930 4.561 . 0 0 "[ . 1 . 2]" 1
1178 1 49 LEU HG 1 89 LYS QE . . 4.980 4.049 3.329 4.703 . 0 0 "[ . 1 . 2]" 1
1179 1 49 LEU HG 1 94 TRP HH2 . . 4.050 2.250 1.993 2.439 . 0 0 "[ . 1 . 2]" 1
1180 1 50 GLU H 1 50 GLU HB2 . . 3.700 3.299 2.303 3.622 . 0 0 "[ . 1 . 2]" 1
1181 1 50 GLU H 1 50 GLU QB . . 3.050 2.453 2.275 2.530 . 0 0 "[ . 1 . 2]" 1
1182 1 50 GLU H 1 50 GLU HB3 . . 3.700 2.788 2.455 3.590 . 0 0 "[ . 1 . 2]" 1
1183 1 50 GLU H 1 50 GLU HG2 . . 3.890 2.430 2.077 3.770 . 0 0 "[ . 1 . 2]" 1
1184 1 50 GLU H 1 50 GLU QG . . 3.400 2.233 2.059 3.272 . 0 0 "[ . 1 . 2]" 1
1185 1 50 GLU H 1 50 GLU HG3 . . 3.890 3.278 2.369 3.689 . 0 0 "[ . 1 . 2]" 1
1186 1 50 GLU H 1 51 ASP H . . 3.630 2.761 2.530 3.005 . 0 0 "[ . 1 . 2]" 1
1187 1 50 GLU H 1 51 ASP QB . . 4.970 4.605 4.388 4.982 0.012 15 0 "[ . 1 . 2]" 1
1188 1 50 GLU H 1 52 THR H . . 5.260 4.541 4.192 4.725 . 0 0 "[ . 1 . 2]" 1
1189 1 50 GLU HA 1 50 GLU HG2 . . 3.880 3.498 2.277 3.825 . 0 0 "[ . 1 . 2]" 1
1190 1 50 GLU HA 1 50 GLU QG . . 3.360 3.124 2.216 3.340 . 0 0 "[ . 1 . 2]" 1
1191 1 50 GLU HA 1 50 GLU HG3 . . 3.880 3.603 2.469 3.861 . 0 0 "[ . 1 . 2]" 1
1192 1 50 GLU HB2 1 51 ASP H . . 4.030 3.431 2.503 4.023 . 0 0 "[ . 1 . 2]" 1
1193 1 50 GLU HB3 1 51 ASP H . . 4.030 3.807 3.187 4.033 0.003 9 0 "[ . 1 . 2]" 1
1194 1 51 ASP H 1 51 ASP QB . . 3.780 2.310 2.173 2.601 . 0 0 "[ . 1 . 2]" 1
1195 1 51 ASP H 1 52 THR H . . 3.180 2.872 2.585 3.017 . 0 0 "[ . 1 . 2]" 1
1196 1 51 ASP QB 1 52 THR H . . 3.880 2.500 2.109 3.299 . 0 0 "[ . 1 . 2]" 1
1197 1 52 THR H 1 52 THR HB . . 3.430 2.640 2.417 2.800 . 0 0 "[ . 1 . 2]" 1
1198 1 52 THR H 1 52 THR HG1 . . 4.640 4.336 4.198 4.557 . 0 0 "[ . 1 . 2]" 1
1199 1 52 THR H 1 52 THR MG . . 3.110 2.147 1.906 2.412 . 0 0 "[ . 1 . 2]" 1
1200 1 52 THR H 1 53 GLU H . . 5.490 4.584 4.538 4.624 . 0 0 "[ . 1 . 2]" 1
1201 1 52 THR HA 1 53 GLU H . . 3.090 2.252 2.166 2.485 . 0 0 "[ . 1 . 2]" 1
1202 1 52 THR HA 1 53 GLU QG . . 4.020 3.686 3.322 3.950 . 0 0 "[ . 1 . 2]" 1
1203 1 52 THR HB 1 53 GLU H . . 4.250 4.039 3.703 4.256 0.006 9 0 "[ . 1 . 2]" 1
1204 1 52 THR MG 1 53 GLU H . . 4.120 3.663 3.192 3.907 . 0 0 "[ . 1 . 2]" 1
1205 1 52 THR MG 1 54 SER H . . 3.850 2.947 1.894 3.791 . 0 0 "[ . 1 . 2]" 1
1206 1 52 THR MG 1 54 SER QB . . 4.140 3.535 2.625 4.093 . 0 0 "[ . 1 . 2]" 1
1207 1 52 THR MG 1 55 TYR H . . 4.510 3.265 2.414 4.515 0.005 14 0 "[ . 1 . 2]" 1
1208 1 52 THR MG 1 55 TYR QB . . 4.290 3.133 2.518 3.829 . 0 0 "[ . 1 . 2]" 1
1209 1 52 THR MG 1 55 TYR QD . . 3.430 2.243 1.829 2.682 . 0 0 "[ . 1 . 2]" 1
1210 1 52 THR MG 1 55 TYR QE . . 3.720 3.051 2.480 3.401 . 0 0 "[ . 1 . 2]" 1
1211 1 53 GLU H 1 53 GLU QB . . 3.470 2.739 2.483 3.092 . 0 0 "[ . 1 . 2]" 1
1212 1 53 GLU H 1 53 GLU QG . . 3.580 2.390 1.928 3.323 . 0 0 "[ . 1 . 2]" 1
1213 1 53 GLU H 1 54 SER H . . 3.610 2.787 1.823 3.338 . 0 0 "[ . 1 . 2]" 1
1214 1 54 SER H 1 55 TYR H . . 4.460 2.614 1.797 4.378 . 0 0 "[ . 1 . 2]" 1
1215 1 54 SER QB 1 55 TYR H . . 3.950 2.679 1.963 2.867 . 0 0 "[ . 1 . 2]" 1
1216 1 54 SER QB 1 55 TYR QD . . 4.210 3.565 2.251 4.022 . 0 0 "[ . 1 . 2]" 1
1217 1 54 SER QB 1 55 TYR QE . . 4.600 3.763 2.450 4.272 . 0 0 "[ . 1 . 2]" 1
1218 1 54 SER HB2 1 55 TYR H . . 4.500 3.309 2.580 4.070 . 0 0 "[ . 1 . 2]" 1
1219 1 54 SER HB3 1 55 TYR H . . 4.500 3.139 1.974 3.872 . 0 0 "[ . 1 . 2]" 1
1220 1 55 TYR H 1 55 TYR QB . . 3.450 2.696 2.420 3.428 . 0 0 "[ . 1 . 2]" 1
1221 1 55 TYR H 1 55 TYR QD . . 3.630 3.203 2.820 3.448 . 0 0 "[ . 1 . 2]" 1
1222 1 55 TYR H 1 56 ASP H . . 3.230 3.083 2.705 3.234 0.004 12 0 "[ . 1 . 2]" 1
1223 1 55 TYR H 1 56 ASP QB . . 4.780 4.607 4.282 4.790 0.010 13 0 "[ . 1 . 2]" 1
1224 1 55 TYR QB 1 85 ILE MD . . 4.560 4.153 3.709 4.505 . 0 0 "[ . 1 . 2]" 1
1225 1 55 TYR HB2 1 85 ILE MG . . 4.350 3.603 3.020 4.082 . 0 0 "[ . 1 . 2]" 1
1226 1 55 TYR HB3 1 85 ILE MG . . 4.350 2.765 2.326 3.053 . 0 0 "[ . 1 . 2]" 1
1227 1 55 TYR QD 1 56 ASP H . . 5.400 4.681 4.426 4.921 . 0 0 "[ . 1 . 2]" 1
1228 1 55 TYR QD 1 84 GLU QG . . 4.850 4.052 3.221 4.679 . 0 0 "[ . 1 . 2]" 1
1229 1 55 TYR QD 1 85 ILE MG . . 3.820 3.254 2.470 3.649 . 0 0 "[ . 1 . 2]" 1
1230 1 55 TYR QD 1 88 LEU HB2 . . 5.500 5.477 5.378 5.514 0.014 11 0 "[ . 1 . 2]" 1
1231 1 55 TYR QD 1 88 LEU MD1 . . 4.510 3.139 2.730 3.356 . 0 0 "[ . 1 . 2]" 1
1232 1 55 TYR QE 1 84 GLU QG . . 4.890 4.516 3.921 4.891 0.001 17 0 "[ . 1 . 2]" 1
1233 1 55 TYR QE 1 85 ILE HA . . 5.060 4.914 4.369 5.066 0.006 14 0 "[ . 1 . 2]" 1
1234 1 55 TYR QE 1 85 ILE MG . . 4.330 4.039 3.740 4.330 0.000 1 0 "[ . 1 . 2]" 1
1235 1 55 TYR QE 1 88 LEU HB2 . . 5.300 4.755 4.539 4.957 . 0 0 "[ . 1 . 2]" 1
1236 1 55 TYR QE 1 88 LEU MD1 . . 3.530 2.162 1.789 2.513 . 0 0 "[ . 1 . 2]" 1
1237 1 55 TYR QE 1 88 LEU MD2 . . 4.500 3.622 3.226 3.979 . 0 0 "[ . 1 . 2]" 1
1238 1 55 TYR QE 1 88 LEU HG . . 5.060 4.843 4.238 5.037 . 0 0 "[ . 1 . 2]" 1
1239 1 56 ASP QB 1 57 GLN H . . 3.660 2.322 2.079 2.756 . 0 0 "[ . 1 . 2]" 1
1240 1 56 ASP QB 1 58 TRP HE1 . . 4.420 3.705 3.294 4.397 . 0 0 "[ . 1 . 2]" 1
1241 1 57 GLN H 1 57 GLN HG2 . . 5.010 4.372 2.628 5.013 0.003 3 0 "[ . 1 . 2]" 1
1242 1 57 GLN H 1 57 GLN QG . . 4.230 3.923 2.595 4.231 0.001 3 0 "[ . 1 . 2]" 1
1243 1 57 GLN H 1 57 GLN HG3 . . 5.010 4.579 4.029 4.927 . 0 0 "[ . 1 . 2]" 1
1244 1 57 GLN HA 1 58 TRP HA . . 4.680 4.397 4.376 4.490 . 0 0 "[ . 1 . 2]" 1
1245 1 57 GLN QB 1 57 GLN QE . . 3.290 2.156 1.872 2.534 . 0 0 "[ . 1 . 2]" 1
1246 1 57 GLN HB2 1 57 GLN HE21 . . 4.660 2.565 1.899 3.447 . 0 0 "[ . 1 . 2]" 1
1247 1 57 GLN HB2 1 57 GLN HE22 . . 4.660 3.716 3.267 4.680 0.020 12 0 "[ . 1 . 2]" 1
1248 1 57 GLN HB3 1 57 GLN HE21 . . 4.660 2.842 1.897 3.365 . 0 0 "[ . 1 . 2]" 1
1249 1 57 GLN HB3 1 57 GLN HE22 . . 4.660 4.068 3.271 4.679 0.019 15 0 "[ . 1 . 2]" 1
1250 1 57 GLN QG 1 59 LEU MD1 . . 4.270 3.098 2.573 3.415 . 0 0 "[ . 1 . 2]" 1
1251 1 57 GLN HG2 1 58 TRP H . . 4.060 3.425 2.761 4.058 . 0 0 "[ . 1 . 2]" 1
1252 1 57 GLN HG3 1 58 TRP H . . 4.060 2.714 1.986 4.058 . 0 0 "[ . 1 . 2]" 1
1253 1 58 TRP H 1 58 TRP HB2 . . 3.590 2.454 2.333 2.660 . 0 0 "[ . 1 . 2]" 1
1254 1 58 TRP H 1 58 TRP HB3 . . 3.860 3.660 3.589 3.769 . 0 0 "[ . 1 . 2]" 1
1255 1 58 TRP H 1 58 TRP HD1 . . 4.160 2.870 2.603 3.174 . 0 0 "[ . 1 . 2]" 1
1256 1 58 TRP H 1 59 LEU H . . 4.650 4.467 4.375 4.541 . 0 0 "[ . 1 . 2]" 1
1257 1 58 TRP H 1 59 LEU MD1 . . 5.500 5.292 4.934 5.514 0.014 17 0 "[ . 1 . 2]" 1
1258 1 58 TRP HA 1 58 TRP HD1 . . 5.020 3.348 3.271 3.493 . 0 0 "[ . 1 . 2]" 1
1259 1 58 TRP HA 1 58 TRP HE3 . . 4.270 4.151 4.000 4.274 0.004 17 0 "[ . 1 . 2]" 1
1260 1 58 TRP HA 1 59 LEU H . . 2.910 2.205 2.171 2.260 . 0 0 "[ . 1 . 2]" 1
1261 1 58 TRP HA 1 59 LEU HB3 . . 5.500 5.531 5.503 5.550 0.050 15 0 "[ . 1 . 2]" 1
1262 1 58 TRP HB2 1 59 LEU H . . 4.250 4.168 4.011 4.254 0.004 16 0 "[ . 1 . 2]" 1
1263 1 58 TRP HB3 1 58 TRP HE3 . . 4.110 2.401 2.399 2.407 . 0 0 "[ . 1 . 2]" 1
1264 1 58 TRP HB3 1 59 LEU H . . 4.020 3.043 2.829 3.199 . 0 0 "[ . 1 . 2]" 1
1265 1 58 TRP HE3 1 59 LEU H . . 4.450 4.324 4.179 4.445 . 0 0 "[ . 1 . 2]" 1
1266 1 59 LEU H 1 59 LEU HB2 . . 3.740 2.727 2.636 2.800 . 0 0 "[ . 1 . 2]" 1
1267 1 59 LEU H 1 59 LEU HB3 . . 3.920 3.714 3.656 3.759 . 0 0 "[ . 1 . 2]" 1
1268 1 59 LEU H 1 59 LEU MD1 . . 5.480 4.411 4.241 4.560 . 0 0 "[ . 1 . 2]" 1
1269 1 59 LEU H 1 59 LEU MD2 . . 4.470 4.390 4.301 4.493 0.023 15 0 "[ . 1 . 2]" 1
1270 1 59 LEU H 1 59 LEU HG . . 4.190 3.895 3.837 3.938 . 0 0 "[ . 1 . 2]" 1
1271 1 59 LEU HA 1 59 LEU MD1 . . 3.970 3.815 3.804 3.822 . 0 0 "[ . 1 . 2]" 1
1272 1 59 LEU HA 1 59 LEU MD2 . . 3.170 2.163 2.009 2.386 . 0 0 "[ . 1 . 2]" 1
1273 1 59 LEU HA 1 59 LEU HG . . 3.840 2.690 2.600 2.807 . 0 0 "[ . 1 . 2]" 1
1274 1 59 LEU HA 1 60 PHE H . . 3.150 2.442 2.355 2.624 . 0 0 "[ . 1 . 2]" 1
1275 1 59 LEU HA 1 60 PHE QB . . 4.430 3.967 3.890 3.999 . 0 0 "[ . 1 . 2]" 1
1276 1 59 LEU HB2 1 59 LEU MD1 . . 3.100 2.242 2.127 2.366 . 0 0 "[ . 1 . 2]" 1
1277 1 59 LEU HB2 1 59 LEU MD2 . . 3.460 3.178 3.158 3.190 . 0 0 "[ . 1 . 2]" 1
1278 1 59 LEU HB2 1 60 PHE H . . 4.080 3.819 3.482 3.966 . 0 0 "[ . 1 . 2]" 1
1279 1 59 LEU HB3 1 59 LEU MD1 . . 3.570 2.463 2.288 2.599 . 0 0 "[ . 1 . 2]" 1
1280 1 59 LEU HB3 1 59 LEU MD2 . . 3.270 2.240 2.121 2.329 . 0 0 "[ . 1 . 2]" 1
1281 1 59 LEU HB3 1 60 PHE H . . 3.600 2.408 1.977 2.620 . 0 0 "[ . 1 . 2]" 1
1282 1 59 LEU HB3 1 60 PHE HA . . 5.320 4.311 4.155 4.417 . 0 0 "[ . 1 . 2]" 1
1283 1 59 LEU HB3 1 60 PHE QB . . 5.160 4.458 4.293 4.556 . 0 0 "[ . 1 . 2]" 1
1284 1 59 LEU HB3 1 63 ASP HB2 . . 4.430 3.375 3.143 3.574 . 0 0 "[ . 1 . 2]" 1
1285 1 59 LEU HB3 1 63 ASP HB3 . . 4.430 4.182 3.898 4.444 0.014 14 0 "[ . 1 . 2]" 1
1286 1 59 LEU MD1 1 60 PHE H . . 4.380 4.246 4.041 4.374 . 0 0 "[ . 1 . 2]" 1
1287 1 59 LEU MD1 1 63 ASP HB2 . . 4.070 3.883 3.677 4.077 0.007 16 0 "[ . 1 . 2]" 1
1288 1 59 LEU MD1 1 63 ASP QB . . 3.500 3.364 3.146 3.515 0.015 17 0 "[ . 1 . 2]" 1
1289 1 59 LEU MD1 1 63 ASP HB3 . . 4.070 3.693 3.372 3.903 . 0 0 "[ . 1 . 2]" 1
1290 1 59 LEU MD2 1 60 PHE H . . 3.950 2.486 2.321 2.685 . 0 0 "[ . 1 . 2]" 1
1291 1 59 LEU MD2 1 63 ASP H . . 5.200 4.827 4.258 5.213 0.013 16 0 "[ . 1 . 2]" 1
1292 1 59 LEU MD2 1 63 ASP HB2 . . 3.920 3.105 2.478 3.660 . 0 0 "[ . 1 . 2]" 1
1293 1 59 LEU MD2 1 63 ASP HB3 . . 3.920 3.218 2.469 3.706 . 0 0 "[ . 1 . 2]" 1
1294 1 59 LEU MD2 1 65 ARG QB . . 5.190 4.167 2.700 5.041 . 0 0 "[ . 1 . 2]" 1
1295 1 59 LEU MD2 1 65 ARG QD . . 4.280 3.063 1.755 4.282 0.002 1 0 "[ . 1 . 2]" 1
1296 1 59 LEU MD2 1 65 ARG HE . . 4.000 3.011 1.883 4.029 0.029 15 0 "[ . 1 . 2]" 1
1297 1 59 LEU HG 1 60 PHE H . . 4.790 4.384 4.274 4.513 . 0 0 "[ . 1 . 2]" 1
1298 1 60 PHE H 1 60 PHE HB2 . . 3.360 2.639 2.490 2.832 . 0 0 "[ . 1 . 2]" 1
1299 1 60 PHE H 1 60 PHE HB3 . . 3.360 2.858 2.746 3.014 . 0 0 "[ . 1 . 2]" 1
1300 1 60 PHE H 1 60 PHE QD . . 4.310 4.238 4.164 4.324 0.014 15 0 "[ . 1 . 2]" 1
1301 1 60 PHE H 1 63 ASP HB2 . . 4.950 3.356 2.688 3.866 . 0 0 "[ . 1 . 2]" 1
1302 1 60 PHE H 1 63 ASP QB . . 4.220 3.267 2.645 3.715 . 0 0 "[ . 1 . 2]" 1
1303 1 60 PHE H 1 63 ASP HB3 . . 4.950 4.550 3.932 4.924 . 0 0 "[ . 1 . 2]" 1
1304 1 60 PHE HA 1 60 PHE QD . . 3.310 2.377 1.976 2.814 . 0 0 "[ . 1 . 2]" 1
1305 1 60 PHE HA 1 61 TYR H . . 3.270 2.174 2.139 2.258 . 0 0 "[ . 1 . 2]" 1
1306 1 60 PHE HA 1 61 TYR QD . . 4.790 3.881 3.465 4.687 . 0 0 "[ . 1 . 2]" 1
1307 1 60 PHE QB 1 61 TYR H . . 4.130 3.618 3.368 3.795 . 0 0 "[ . 1 . 2]" 1
1308 1 60 PHE HB2 1 61 TYR H . . 4.860 4.350 4.191 4.434 . 0 0 "[ . 1 . 2]" 1
1309 1 60 PHE HB3 1 61 TYR H . . 4.860 3.874 3.548 4.124 . 0 0 "[ . 1 . 2]" 1
1310 1 60 PHE QD 1 61 TYR H . . 4.190 3.346 3.127 3.644 . 0 0 "[ . 1 . 2]" 1
1311 1 60 PHE QD 1 62 LEU HA . . 5.240 4.323 3.820 4.810 . 0 0 "[ . 1 . 2]" 1
1312 1 60 PHE QD 1 62 LEU HB2 . . 4.310 1.992 1.955 2.014 . 0 0 "[ . 1 . 2]" 1
1313 1 60 PHE QD 1 62 LEU QB . . 3.660 1.979 1.933 2.004 . 0 0 "[ . 1 . 2]" 1
1314 1 60 PHE QD 1 62 LEU HB3 . . 4.310 3.437 3.034 3.655 . 0 0 "[ . 1 . 2]" 1
1315 1 60 PHE QD 1 62 LEU MD1 . . 4.890 2.682 2.070 3.481 . 0 0 "[ . 1 . 2]" 1
1316 1 60 PHE QD 1 62 LEU HG . . 4.140 3.046 2.162 4.158 0.018 17 0 "[ . 1 . 2]" 1
1317 1 60 PHE QD 1 63 ASP H . . 5.390 4.293 3.591 5.213 . 0 0 "[ . 1 . 2]" 1
1318 1 60 PHE QE 1 61 TYR H . . 4.970 4.476 4.192 4.682 . 0 0 "[ . 1 . 2]" 1
1319 1 60 PHE QE 1 61 TYR QD . . 4.770 3.423 3.155 3.676 . 0 0 "[ . 1 . 2]" 1
1320 1 60 PHE QE 1 61 TYR QE . . 4.220 2.424 2.061 2.831 . 0 0 "[ . 1 . 2]" 1
1321 1 60 PHE QE 1 62 LEU QB . . 4.320 3.423 2.507 3.910 . 0 0 "[ . 1 . 2]" 1
1322 1 60 PHE QE 1 62 LEU MD1 . . 4.760 2.200 1.984 2.609 . 0 0 "[ . 1 . 2]" 1
1323 1 60 PHE QE 1 62 LEU MD2 . . 4.670 4.201 3.750 4.616 . 0 0 "[ . 1 . 2]" 1
1324 1 60 PHE QE 1 62 LEU HG . . 3.460 3.010 2.434 3.494 0.034 16 0 "[ . 1 . 2]" 1
1325 1 60 PHE HZ 1 61 TYR QD . . 4.240 4.150 3.954 4.271 0.031 17 0 "[ . 1 . 2]" 1
1326 1 60 PHE HZ 1 61 TYR QE . . 3.560 2.548 2.255 3.306 . 0 0 "[ . 1 . 2]" 1
1327 1 61 TYR H 1 61 TYR HB2 . . 3.640 3.575 3.552 3.592 . 0 0 "[ . 1 . 2]" 1
1328 1 61 TYR H 1 61 TYR HB3 . . 3.600 2.346 2.297 2.401 . 0 0 "[ . 1 . 2]" 1
1329 1 61 TYR H 1 61 TYR QD . . 3.270 2.380 2.049 2.900 . 0 0 "[ . 1 . 2]" 1
1330 1 61 TYR H 1 61 TYR QE . . 4.710 4.467 4.250 4.707 . 0 0 "[ . 1 . 2]" 1
1331 1 61 TYR H 1 66 LEU MD1 . . 4.580 3.659 3.346 3.939 . 0 0 "[ . 1 . 2]" 1
1332 1 61 TYR HA 1 61 TYR QD . . 4.080 3.716 3.600 3.739 . 0 0 "[ . 1 . 2]" 1
1333 1 61 TYR HA 1 63 ASP H . . 4.640 3.916 3.400 4.595 . 0 0 "[ . 1 . 2]" 1
1334 1 61 TYR HA 1 66 LEU MD1 . . 3.340 1.985 1.809 2.402 . 0 0 "[ . 1 . 2]" 1
1335 1 61 TYR HA 1 66 LEU MD2 . . 4.730 3.745 3.141 4.351 . 0 0 "[ . 1 . 2]" 1
1336 1 61 TYR HB2 1 66 LEU MD1 . . 4.660 3.742 3.375 4.355 . 0 0 "[ . 1 . 2]" 1
1337 1 61 TYR QD 1 62 LEU H . . 4.220 3.139 2.881 3.611 . 0 0 "[ . 1 . 2]" 1
1338 1 61 TYR QD 1 62 LEU HA . . 4.730 3.276 2.684 3.733 . 0 0 "[ . 1 . 2]" 1
1339 1 61 TYR QD 1 62 LEU MD1 . . 4.820 4.502 4.301 4.672 . 0 0 "[ . 1 . 2]" 1
1340 1 61 TYR QD 1 62 LEU MD2 . . 4.010 3.259 2.627 3.789 . 0 0 "[ . 1 . 2]" 1
1341 1 61 TYR QD 1 62 LEU HG . . 4.580 3.448 3.234 3.636 . 0 0 "[ . 1 . 2]" 1
1342 1 61 TYR QD 1 114 VAL MG1 . . 4.120 3.863 3.594 4.093 . 0 0 "[ . 1 . 2]" 1
1343 1 61 TYR QE 1 62 LEU H . . 4.860 3.983 3.640 4.572 . 0 0 "[ . 1 . 2]" 1
1344 1 61 TYR QE 1 62 LEU HA . . 4.730 3.878 3.189 4.446 . 0 0 "[ . 1 . 2]" 1
1345 1 61 TYR QE 1 62 LEU QB . . 5.340 4.191 3.915 4.632 . 0 0 "[ . 1 . 2]" 1
1346 1 61 TYR QE 1 62 LEU MD1 . . 4.230 3.507 3.175 3.868 . 0 0 "[ . 1 . 2]" 1
1347 1 61 TYR QE 1 62 LEU MD2 . . 3.610 2.359 1.979 2.929 . 0 0 "[ . 1 . 2]" 1
1348 1 61 TYR QE 1 62 LEU HG . . 4.080 2.722 2.439 3.075 . 0 0 "[ . 1 . 2]" 1
1349 1 61 TYR QE 1 114 VAL MG1 . . 5.500 5.344 4.934 5.501 0.001 9 0 "[ . 1 . 2]" 1
1350 1 62 LEU H 1 62 LEU MD1 . . 4.480 3.767 3.442 4.117 . 0 0 "[ . 1 . 2]" 1
1351 1 62 LEU H 1 62 LEU MD2 . . 4.320 3.752 3.558 3.958 . 0 0 "[ . 1 . 2]" 1
1352 1 62 LEU H 1 62 LEU HG . . 4.190 2.796 2.388 3.213 . 0 0 "[ . 1 . 2]" 1
1353 1 62 LEU H 1 63 ASP H . . 4.250 2.946 2.501 3.173 . 0 0 "[ . 1 . 2]" 1
1354 1 62 LEU HA 1 62 LEU MD1 . . 4.170 3.812 3.738 3.871 . 0 0 "[ . 1 . 2]" 1
1355 1 62 LEU HA 1 62 LEU MD2 . . 2.910 2.060 1.896 2.393 . 0 0 "[ . 1 . 2]" 1
1356 1 62 LEU HA 1 62 LEU HG . . 3.920 2.893 2.722 3.075 . 0 0 "[ . 1 . 2]" 1
1357 1 62 LEU QB 1 62 LEU MD2 . . 2.990 2.264 2.085 2.365 . 0 0 "[ . 1 . 2]" 1
1358 1 62 LEU QB 1 63 ASP HA . . 4.890 4.003 3.784 4.239 . 0 0 "[ . 1 . 2]" 1
1359 1 62 LEU HB2 1 62 LEU MD2 . . 3.550 3.176 3.155 3.187 . 0 0 "[ . 1 . 2]" 1
1360 1 62 LEU HB2 1 63 ASP H . . 5.030 3.353 2.455 4.282 . 0 0 "[ . 1 . 2]" 1
1361 1 62 LEU HB3 1 62 LEU MD2 . . 3.550 2.320 2.116 2.440 . 0 0 "[ . 1 . 2]" 1
1362 1 62 LEU HB3 1 63 ASP H . . 5.030 3.801 3.232 4.390 . 0 0 "[ . 1 . 2]" 1
1363 1 62 LEU MD2 1 63 ASP H . . 5.020 4.530 4.246 4.829 . 0 0 "[ . 1 . 2]" 1
1364 1 62 LEU HG 1 63 ASP H . . 5.260 4.898 4.501 5.312 0.052 19 0 "[ . 1 . 2]" 1
1365 1 63 ASP H 1 63 ASP HB2 . . 3.660 2.447 2.175 2.668 . 0 0 "[ . 1 . 2]" 1
1366 1 63 ASP H 1 63 ASP HB3 . . 3.660 3.409 2.805 3.626 . 0 0 "[ . 1 . 2]" 1
1367 1 63 ASP H 1 64 TYR H . . 4.740 4.560 4.422 4.650 . 0 0 "[ . 1 . 2]" 1
1368 1 63 ASP H 1 66 LEU MD1 . . 4.000 2.890 1.878 3.615 . 0 0 "[ . 1 . 2]" 1
1369 1 63 ASP HA 1 64 TYR H . . 2.860 2.372 2.191 2.649 . 0 0 "[ . 1 . 2]" 1
1370 1 63 ASP HA 1 65 ARG H . . 4.720 4.263 3.658 4.631 . 0 0 "[ . 1 . 2]" 1
1371 1 63 ASP HA 1 65 ARG QG . . 5.500 4.889 3.981 5.480 . 0 0 "[ . 1 . 2]" 1
1372 1 63 ASP QB 1 64 TYR H . . 3.110 2.730 2.054 3.112 0.002 6 0 "[ . 1 . 2]" 1
1373 1 63 ASP QB 1 65 ARG H . . 3.760 2.964 2.206 3.422 . 0 0 "[ . 1 . 2]" 1
1374 1 63 ASP QB 1 65 ARG QG . . 4.340 3.054 1.967 4.176 . 0 0 "[ . 1 . 2]" 1
1375 1 63 ASP QB 1 66 LEU H . . 4.330 3.175 2.580 4.104 . 0 0 "[ . 1 . 2]" 1
1376 1 63 ASP QB 1 66 LEU HB2 . . 5.100 3.546 2.729 4.220 . 0 0 "[ . 1 . 2]" 1
1377 1 63 ASP QB 1 66 LEU MD1 . . 3.430 2.077 1.785 2.555 . 0 0 "[ . 1 . 2]" 1
1378 1 63 ASP QB 1 66 LEU MD2 . . 5.270 4.020 3.521 4.528 . 0 0 "[ . 1 . 2]" 1
1379 1 63 ASP QB 1 66 LEU HG . . 4.170 2.900 2.357 3.604 . 0 0 "[ . 1 . 2]" 1
1380 1 63 ASP HB2 1 66 LEU H . . 4.960 4.191 3.552 4.962 0.002 6 0 "[ . 1 . 2]" 1
1381 1 63 ASP HB2 1 66 LEU MD1 . . 4.000 2.227 1.799 2.936 . 0 0 "[ . 1 . 2]" 1
1382 1 63 ASP HB3 1 66 LEU H . . 4.960 3.333 2.599 4.379 . 0 0 "[ . 1 . 2]" 1
1383 1 63 ASP HB3 1 66 LEU MD1 . . 4.000 3.009 1.980 3.690 . 0 0 "[ . 1 . 2]" 1
1384 1 64 TYR H 1 64 TYR HB2 . . 3.680 3.548 3.193 3.716 0.036 19 0 "[ . 1 . 2]" 1
1385 1 64 TYR H 1 64 TYR HB3 . . 3.680 2.654 2.217 3.191 . 0 0 "[ . 1 . 2]" 1
1386 1 64 TYR H 1 64 TYR QD . . 3.630 2.569 1.960 3.662 0.032 7 0 "[ . 1 . 2]" 1
1387 1 64 TYR H 1 65 ARG H . . 3.860 2.287 2.060 2.617 . 0 0 "[ . 1 . 2]" 1
1388 1 64 TYR H 1 65 ARG QB . . 4.900 4.413 4.178 4.642 . 0 0 "[ . 1 . 2]" 1
1389 1 64 TYR H 1 65 ARG QG . . 5.310 3.599 3.039 4.141 . 0 0 "[ . 1 . 2]" 1
1390 1 64 TYR HA 1 64 TYR QD . . 3.730 3.636 3.299 3.741 0.011 9 0 "[ . 1 . 2]" 1
1391 1 64 TYR HA 1 66 LEU H . . 4.470 3.859 3.356 4.441 . 0 0 "[ . 1 . 2]" 1
1392 1 64 TYR QD 1 65 ARG H . . 4.810 2.889 2.150 3.718 . 0 0 "[ . 1 . 2]" 1
1393 1 64 TYR QD 1 65 ARG HA . . 4.700 3.136 2.491 3.773 . 0 0 "[ . 1 . 2]" 1
1394 1 64 TYR QD 1 65 ARG QB . . 4.470 3.925 2.869 4.478 0.008 17 0 "[ . 1 . 2]" 1
1395 1 64 TYR QD 1 65 ARG QG . . 4.830 3.655 2.453 4.839 0.009 15 0 "[ . 1 . 2]" 1
1396 1 64 TYR QE 1 65 ARG QB . . 4.620 4.108 3.205 4.625 0.005 7 0 "[ . 1 . 2]" 1
1397 1 65 ARG H 1 65 ARG QB . . 3.080 2.604 2.260 2.829 . 0 0 "[ . 1 . 2]" 1
1398 1 65 ARG H 1 65 ARG HE . . 4.530 4.019 2.788 4.552 0.022 12 0 "[ . 1 . 2]" 1
1399 1 65 ARG H 1 65 ARG QG . . 4.150 2.113 1.856 2.633 . 0 0 "[ . 1 . 2]" 1
1400 1 65 ARG H 1 66 LEU H . . 3.860 2.929 2.670 3.164 . 0 0 "[ . 1 . 2]" 1
1401 1 65 ARG H 1 66 LEU MD1 . . 5.360 4.953 4.293 5.359 . 0 0 "[ . 1 . 2]" 1
1402 1 65 ARG HA 1 65 ARG QD . . 4.800 4.063 3.616 4.648 . 0 0 "[ . 1 . 2]" 1
1403 1 65 ARG HA 1 65 ARG QG . . 3.800 2.902 2.347 3.430 . 0 0 "[ . 1 . 2]" 1
1404 1 65 ARG QB 1 65 ARG HE . . 3.870 3.183 1.797 3.906 0.036 12 0 "[ . 1 . 2]" 1
1405 1 65 ARG HB2 1 65 ARG HE . . 4.500 3.743 1.968 4.511 0.011 5 0 "[ . 1 . 2]" 1
1406 1 65 ARG HB3 1 65 ARG HE . . 4.500 3.676 2.076 4.455 . 0 0 "[ . 1 . 2]" 1
1407 1 65 ARG HE 1 65 ARG QG . . 3.900 2.386 2.147 3.063 . 0 0 "[ . 1 . 2]" 1
1408 1 65 ARG QG 1 66 LEU H . . 4.110 3.473 2.091 4.160 0.050 10 0 "[ . 1 . 2]" 1
1409 1 66 LEU H 1 66 LEU HB2 . . 3.630 2.422 2.232 2.618 . 0 0 "[ . 1 . 2]" 1
1410 1 66 LEU H 1 66 LEU HB3 . . 4.000 3.602 3.523 3.764 . 0 0 "[ . 1 . 2]" 1
1411 1 66 LEU H 1 66 LEU MD1 . . 3.970 3.472 3.174 3.974 0.004 11 0 "[ . 1 . 2]" 1
1412 1 66 LEU H 1 66 LEU MD2 . . 4.180 3.886 3.537 4.181 0.001 14 0 "[ . 1 . 2]" 1
1413 1 66 LEU H 1 66 LEU HG . . 4.260 2.678 2.152 3.291 . 0 0 "[ . 1 . 2]" 1
1414 1 66 LEU HA 1 66 LEU MD1 . . 4.050 3.876 3.808 3.919 . 0 0 "[ . 1 . 2]" 1
1415 1 66 LEU HA 1 66 LEU MD2 . . 3.160 2.302 1.991 2.571 . 0 0 "[ . 1 . 2]" 1
1416 1 66 LEU HB2 1 66 LEU MD1 . . 3.300 2.179 2.035 2.293 . 0 0 "[ . 1 . 2]" 1
1417 1 66 LEU HB2 1 66 LEU MD2 . . 3.560 3.154 3.118 3.191 . 0 0 "[ . 1 . 2]" 1
1418 1 66 LEU HB2 1 67 ARG H . . 5.020 4.430 3.820 4.565 . 0 0 "[ . 1 . 2]" 1
1419 1 66 LEU HB2 1 115 PHE QE . . 4.620 4.303 3.616 4.622 0.002 6 0 "[ . 1 . 2]" 1
1420 1 66 LEU HB3 1 66 LEU MD1 . . 3.290 2.540 2.405 2.632 . 0 0 "[ . 1 . 2]" 1
1421 1 66 LEU HB3 1 67 ARG H . . 5.200 3.735 2.627 4.200 . 0 0 "[ . 1 . 2]" 1
1422 1 66 LEU HB3 1 115 PHE QE . . 4.590 3.311 2.643 3.612 . 0 0 "[ . 1 . 2]" 1
1423 1 66 LEU MD1 1 115 PHE QE . . 4.410 3.769 2.642 4.275 . 0 0 "[ . 1 . 2]" 1
1424 1 66 LEU MD2 1 67 ARG H . . 4.020 3.802 3.345 4.047 0.027 16 0 "[ . 1 . 2]" 1
1425 1 66 LEU MD2 1 115 PHE QE . . 4.810 4.014 2.749 4.496 . 0 0 "[ . 1 . 2]" 1
1426 1 66 LEU MD2 1 115 PHE HZ . . 5.020 4.497 3.470 4.984 . 0 0 "[ . 1 . 2]" 1
1427 1 66 LEU HG 1 67 ARG H . . 5.500 4.925 4.750 5.104 . 0 0 "[ . 1 . 2]" 1
1428 1 67 ARG H 1 67 ARG QG . . 4.400 3.673 2.953 4.414 0.014 8 0 "[ . 1 . 2]" 1
1429 1 67 ARG HA 1 68 PRO HD2 . . 3.750 2.349 2.122 2.517 . 0 0 "[ . 1 . 2]" 1
1430 1 67 ARG HA 1 68 PRO HD3 . . 3.860 2.291 2.253 2.351 . 0 0 "[ . 1 . 2]" 1
1431 1 67 ARG HA 1 68 PRO HG3 . . 4.910 4.447 4.339 4.545 . 0 0 "[ . 1 . 2]" 1
1432 1 67 ARG HA 1 115 PHE QD . . 5.090 4.101 3.815 4.447 . 0 0 "[ . 1 . 2]" 1
1433 1 67 ARG HA 1 115 PHE QE . . 4.660 4.434 3.991 4.653 . 0 0 "[ . 1 . 2]" 1
1434 1 67 ARG QB 1 68 PRO HD2 . . 3.660 2.428 1.988 3.467 . 0 0 "[ . 1 . 2]" 1
1435 1 67 ARG QB 1 68 PRO HD3 . . 4.410 3.654 3.363 4.271 . 0 0 "[ . 1 . 2]" 1
1436 1 67 ARG QB 1 71 TRP QB . . 4.430 4.129 3.352 4.427 . 0 0 "[ . 1 . 2]" 1
1437 1 67 ARG HB2 1 68 PRO HD2 . . 4.300 3.773 3.584 3.979 . 0 0 "[ . 1 . 2]" 1
1438 1 67 ARG HB3 1 68 PRO HD2 . . 4.300 2.509 1.997 3.856 . 0 0 "[ . 1 . 2]" 1
1439 1 68 PRO HA 1 69 VAL H . . 2.980 2.206 2.177 2.283 . 0 0 "[ . 1 . 2]" 1
1440 1 68 PRO HA 1 69 VAL HB . . 4.990 4.694 4.621 4.780 . 0 0 "[ . 1 . 2]" 1
1441 1 68 PRO HA 1 115 PHE QE . . 3.970 2.597 2.379 2.886 . 0 0 "[ . 1 . 2]" 1
1442 1 68 PRO HA 1 115 PHE HZ . . 4.490 4.103 3.717 4.492 0.002 8 0 "[ . 1 . 2]" 1
1443 1 68 PRO HB2 1 69 VAL H . . 4.010 3.215 2.936 3.357 . 0 0 "[ . 1 . 2]" 1
1444 1 68 PRO HB2 1 115 PHE QE . . 4.420 3.824 3.611 4.087 . 0 0 "[ . 1 . 2]" 1
1445 1 68 PRO HB3 1 115 PHE QB . . 5.340 4.613 4.236 5.308 . 0 0 "[ . 1 . 2]" 1
1446 1 68 PRO HB3 1 115 PHE QD . . 4.320 2.638 2.242 3.333 . 0 0 "[ . 1 . 2]" 1
1447 1 68 PRO HB3 1 115 PHE QE . . 3.900 2.190 1.998 2.402 . 0 0 "[ . 1 . 2]" 1
1448 1 68 PRO HD2 1 71 TRP QB . . 4.330 4.159 3.757 4.333 0.003 15 0 "[ . 1 . 2]" 1
1449 1 68 PRO HD2 1 115 PHE QB . . 5.340 4.361 3.929 4.912 . 0 0 "[ . 1 . 2]" 1
1450 1 68 PRO HD3 1 115 PHE QB . . 4.610 3.167 2.842 3.663 . 0 0 "[ . 1 . 2]" 1
1451 1 68 PRO HD3 1 115 PHE QD . . 4.720 2.289 2.029 2.690 . 0 0 "[ . 1 . 2]" 1
1452 1 68 PRO HG2 1 71 TRP H . . 4.530 4.180 3.984 4.546 0.016 8 0 "[ . 1 . 2]" 1
1453 1 68 PRO HG2 1 71 TRP QB . . 3.990 3.346 2.907 3.979 . 0 0 "[ . 1 . 2]" 1
1454 1 68 PRO HG2 1 115 PHE QD . . 4.770 4.152 3.801 4.579 . 0 0 "[ . 1 . 2]" 1
1455 1 68 PRO HG3 1 69 VAL H . . 5.500 5.486 5.313 5.568 0.068 10 0 "[ . 1 . 2]" 1
1456 1 68 PRO HG3 1 115 PHE QD . . 4.720 2.642 2.248 3.102 . 0 0 "[ . 1 . 2]" 1
1457 1 68 PRO HG3 1 115 PHE QE . . 4.070 3.902 3.346 4.070 0.000 12 0 "[ . 1 . 2]" 1
1458 1 69 VAL H 1 69 VAL HB . . 3.050 2.504 2.425 2.600 . 0 0 "[ . 1 . 2]" 1
1459 1 69 VAL H 1 69 VAL MG1 . . 3.980 3.761 3.745 3.778 . 0 0 "[ . 1 . 2]" 1
1460 1 69 VAL H 1 69 VAL MG2 . . 3.020 2.285 1.936 2.459 . 0 0 "[ . 1 . 2]" 1
1461 1 69 VAL H 1 70 GLY H . . 4.900 4.574 4.457 4.638 . 0 0 "[ . 1 . 2]" 1
1462 1 69 VAL H 1 115 PHE QE . . 4.900 4.499 4.194 4.856 . 0 0 "[ . 1 . 2]" 1
1463 1 69 VAL HA 1 69 VAL MG1 . . 3.740 2.400 2.321 2.490 . 0 0 "[ . 1 . 2]" 1
1464 1 69 VAL HA 1 69 VAL MG2 . . 3.340 2.347 2.215 2.452 . 0 0 "[ . 1 . 2]" 1
1465 1 69 VAL HA 1 71 TRP H . . 3.870 3.731 3.541 3.872 0.002 18 0 "[ . 1 . 2]" 1
1466 1 69 VAL HA 1 79 MET ME . . 4.690 4.330 3.894 4.699 0.009 18 0 "[ . 1 . 2]" 1
1467 1 69 VAL HB 1 70 GLY H . . 4.670 4.096 3.826 4.319 . 0 0 "[ . 1 . 2]" 1
1468 1 69 VAL HB 1 70 GLY QA . . 4.880 4.422 4.254 4.532 . 0 0 "[ . 1 . 2]" 1
1469 1 69 VAL HB 1 105 ALA MB . . 3.360 2.358 1.821 2.786 . 0 0 "[ . 1 . 2]" 1
1470 1 69 VAL MG1 1 70 GLY H . . 3.740 2.292 1.934 2.861 . 0 0 "[ . 1 . 2]" 1
1471 1 69 VAL MG1 1 70 GLY HA2 . . 4.350 3.134 2.911 3.325 . 0 0 "[ . 1 . 2]" 1
1472 1 69 VAL MG1 1 70 GLY QA . . 3.820 2.962 2.726 3.132 . 0 0 "[ . 1 . 2]" 1
1473 1 69 VAL MG1 1 70 GLY HA3 . . 4.350 3.651 3.287 3.891 . 0 0 "[ . 1 . 2]" 1
1474 1 69 VAL MG1 1 102 LEU HA . . 3.650 2.733 2.055 3.355 . 0 0 "[ . 1 . 2]" 1
1475 1 69 VAL MG1 1 105 ALA MB . . 2.840 2.374 1.859 2.796 . 0 0 "[ . 1 . 2]" 1
1476 1 69 VAL MG1 1 106 ALA H . . 5.500 4.969 4.206 5.395 . 0 0 "[ . 1 . 2]" 1
1477 1 69 VAL MG2 1 70 GLY H . . 4.230 3.953 3.749 4.107 . 0 0 "[ . 1 . 2]" 1
1478 1 69 VAL MG2 1 105 ALA MB . . 3.270 2.439 1.940 2.849 . 0 0 "[ . 1 . 2]" 1
1479 1 70 GLY H 1 71 TRP H . . 3.850 2.673 2.196 3.198 . 0 0 "[ . 1 . 2]" 1
1480 1 70 GLY H 1 79 MET ME . . 4.720 4.135 3.378 4.509 . 0 0 "[ . 1 . 2]" 1
1481 1 71 TRP H 1 71 TRP HB2 . . 3.660 3.521 3.480 3.585 . 0 0 "[ . 1 . 2]" 1
1482 1 71 TRP H 1 71 TRP HB3 . . 3.660 2.234 2.168 2.342 . 0 0 "[ . 1 . 2]" 1
1483 1 71 TRP H 1 71 TRP HE1 . . 5.500 5.060 4.683 5.417 . 0 0 "[ . 1 . 2]" 1
1484 1 71 TRP HE1 1 72 CYS HA . . 4.860 4.656 4.151 4.864 0.004 17 0 "[ . 1 . 2]" 1
1485 1 71 TRP HE1 1 72 CYS HB2 . . 4.490 2.753 2.361 3.405 . 0 0 "[ . 1 . 2]" 1
1486 1 71 TRP HE1 1 72 CYS QB . . 3.870 2.705 2.325 3.272 . 0 0 "[ . 1 . 2]" 1
1487 1 71 TRP HE1 1 72 CYS HB3 . . 4.490 4.049 3.389 4.486 . 0 0 "[ . 1 . 2]" 1
1488 1 71 TRP HE1 1 79 MET ME . . 4.400 3.934 2.300 4.403 0.003 8 0 "[ . 1 . 2]" 1
1489 1 71 TRP HH2 1 77 TYR QE . . 4.270 3.185 2.360 3.833 . 0 0 "[ . 1 . 2]" 1
1490 1 71 TRP HZ2 1 77 TYR QE . . 5.240 4.826 2.352 5.244 0.004 13 0 "[ . 1 . 2]" 1
1491 1 72 CYS H 1 79 MET ME . . 4.280 3.962 3.486 4.279 . 0 0 "[ . 1 . 2]" 1
1492 1 72 CYS HA 1 77 TYR H . . 4.500 4.099 3.247 4.527 0.027 18 0 "[ . 1 . 2]" 1
1493 1 72 CYS HA 1 79 MET ME . . 4.670 4.427 4.091 4.665 . 0 0 "[ . 1 . 2]" 1
1494 1 72 CYS QB 1 73 GLN H . . 3.970 3.216 2.250 3.954 . 0 0 "[ . 1 . 2]" 1
1495 1 72 CYS QB 1 79 MET ME . . 3.010 2.010 1.838 2.259 . 0 0 "[ . 1 . 2]" 1
1496 1 72 CYS HB2 1 73 GLN H . . 4.570 4.192 3.681 4.590 0.020 8 0 "[ . 1 . 2]" 1
1497 1 72 CYS HB3 1 73 GLN H . . 4.570 3.394 2.270 4.355 . 0 0 "[ . 1 . 2]" 1
1498 1 72 CYS HG 1 77 TYR H . . 4.540 3.588 2.487 4.556 0.016 10 0 "[ . 1 . 2]" 1
1499 1 73 GLN H 1 73 GLN HB2 . . 3.750 2.643 2.167 3.665 . 0 0 "[ . 1 . 2]" 1
1500 1 73 GLN H 1 73 GLN HB3 . . 3.750 2.889 2.281 3.800 0.050 8 0 "[ . 1 . 2]" 1
1501 1 73 GLN H 1 73 GLN QG . . 4.060 3.499 1.856 4.075 0.015 1 0 "[ . 1 . 2]" 1
1502 1 73 GLN H 1 74 GLU H . . 4.920 2.980 1.997 4.641 . 0 0 "[ . 1 . 2]" 1
1503 1 73 GLN H 1 79 MET ME . . 5.140 4.712 3.879 5.184 0.044 10 0 "[ . 1 . 2]" 1
1504 1 73 GLN HA 1 73 GLN QE . . 3.890 3.262 1.928 3.957 0.067 14 0 "[ . 1 . 2]" 1
1505 1 73 GLN HA 1 73 GLN QG . . 3.380 2.667 2.165 3.469 0.089 7 0 "[ . 1 . 2]" 1
1506 1 73 GLN QB 1 74 GLU H . . 3.740 2.661 1.929 3.574 . 0 0 "[ . 1 . 2]" 1
1507 1 73 GLN QB 1 74 GLU HA . . 4.800 4.141 3.741 4.805 0.005 13 0 "[ . 1 . 2]" 1
1508 1 73 GLN HB2 1 74 GLU H . . 4.270 3.603 2.389 4.165 . 0 0 "[ . 1 . 2]" 1
1509 1 73 GLN HB3 1 74 GLU H . . 4.270 2.917 1.939 3.927 . 0 0 "[ . 1 . 2]" 1
1510 1 73 GLN QG 1 74 GLU H . . 4.580 3.348 1.828 4.563 . 0 0 "[ . 1 . 2]" 1
1511 1 73 GLN QG 1 74 GLU HA . . 5.500 4.246 3.117 5.664 0.164 15 0 "[ . 1 . 2]" 1
1512 1 74 GLU H 1 74 GLU HB2 . . 3.800 2.513 2.117 3.588 . 0 0 "[ . 1 . 2]" 1
1513 1 74 GLU H 1 74 GLU QB . . 3.240 2.346 2.081 2.913 . 0 0 "[ . 1 . 2]" 1
1514 1 74 GLU H 1 74 GLU HB3 . . 3.800 3.236 2.602 3.803 0.003 13 0 "[ . 1 . 2]" 1
1515 1 74 GLU H 1 74 GLU QG . . 4.260 3.187 1.896 4.100 . 0 0 "[ . 1 . 2]" 1
1516 1 74 GLU H 1 75 ASN H . . 4.890 4.027 2.190 4.647 . 0 0 "[ . 1 . 2]" 1
1517 1 74 GLU HA 1 74 GLU QG . . 3.600 2.663 2.216 3.333 . 0 0 "[ . 1 . 2]" 1
1518 1 74 GLU QB 1 75 ASN H . . 3.780 2.486 1.908 3.740 . 0 0 "[ . 1 . 2]" 1
1519 1 74 GLU QB 1 76 LYS QZ . . 4.350 3.466 1.784 4.352 0.002 13 0 "[ . 1 . 2]" 1
1520 1 74 GLU HB2 1 75 ASN H . . 4.390 3.509 1.949 4.420 0.030 16 0 "[ . 1 . 2]" 1
1521 1 74 GLU HB3 1 75 ASN H . . 4.390 2.756 1.920 4.036 . 0 0 "[ . 1 . 2]" 1
1522 1 74 GLU QG 1 75 ASN H . . 5.480 3.485 1.851 4.547 . 0 0 "[ . 1 . 2]" 1
1523 1 74 GLU QG 1 76 LYS QZ . . 4.930 3.798 2.055 4.830 . 0 0 "[ . 1 . 2]" 1
1524 1 75 ASN H 1 76 LYS H . . 3.660 3.073 1.940 3.693 0.033 16 0 "[ . 1 . 2]" 1
1525 1 75 ASN H 1 76 LYS QZ . . 4.910 3.401 2.113 4.715 . 0 0 "[ . 1 . 2]" 1
1526 1 75 ASN HA 1 77 TYR H . . 4.700 4.346 3.637 4.703 0.003 8 0 "[ . 1 . 2]" 1
1527 1 75 ASN QB 1 76 LYS QZ . . 4.270 3.721 2.775 4.274 0.004 20 0 "[ . 1 . 2]" 1
1528 1 76 LYS H 1 76 LYS HB2 . . 4.160 2.559 2.174 3.431 . 0 0 "[ . 1 . 2]" 1
1529 1 76 LYS H 1 76 LYS QB . . 3.630 2.507 2.153 3.262 . 0 0 "[ . 1 . 2]" 1
1530 1 76 LYS H 1 76 LYS HB3 . . 4.160 3.664 3.456 4.081 . 0 0 "[ . 1 . 2]" 1
1531 1 76 LYS H 1 76 LYS QD . . 4.480 3.020 1.773 4.459 . 0 0 "[ . 1 . 2]" 1
1532 1 76 LYS H 1 76 LYS QG . . 3.600 3.001 1.895 3.730 0.130 20 0 "[ . 1 . 2]" 1
1533 1 76 LYS H 1 77 TYR H . . 3.430 2.653 1.823 3.432 0.002 13 0 "[ . 1 . 2]" 1
1534 1 76 LYS HA 1 76 LYS HD2 . . 4.220 3.544 3.032 4.231 0.011 5 0 "[ . 1 . 2]" 1
1535 1 76 LYS HA 1 76 LYS HD3 . . 4.220 3.162 2.014 4.234 0.014 7 0 "[ . 1 . 2]" 1
1536 1 76 LYS HA 1 76 LYS QE . . 4.600 3.470 1.955 4.583 . 0 0 "[ . 1 . 2]" 1
1537 1 76 LYS HA 1 76 LYS QG . . 3.350 2.575 2.211 3.073 . 0 0 "[ . 1 . 2]" 1
1538 1 76 LYS QB 1 76 LYS QE . . 4.350 3.301 1.976 3.818 . 0 0 "[ . 1 . 2]" 1
1539 1 76 LYS QB 1 77 TYR H . . 4.250 2.641 1.925 3.901 . 0 0 "[ . 1 . 2]" 1
1540 1 76 LYS QE 1 76 LYS QG . . 3.220 2.245 2.001 2.515 . 0 0 "[ . 1 . 2]" 1
1541 1 77 TYR H 1 77 TYR HB2 . . 3.890 2.527 2.181 3.238 . 0 0 "[ . 1 . 2]" 1
1542 1 77 TYR H 1 77 TYR QB . . 3.270 2.437 2.146 2.715 . 0 0 "[ . 1 . 2]" 1
1543 1 77 TYR H 1 77 TYR HB3 . . 3.890 3.545 2.333 3.799 . 0 0 "[ . 1 . 2]" 1
1544 1 77 TYR H 1 77 TYR QD . . 4.000 3.210 2.083 3.978 . 0 0 "[ . 1 . 2]" 1
1545 1 77 TYR HA 1 77 TYR QD . . 3.710 2.581 2.022 3.105 . 0 0 "[ . 1 . 2]" 1
1546 1 77 TYR HA 1 77 TYR QE . . 4.860 4.477 4.194 4.880 0.020 10 0 "[ . 1 . 2]" 1
1547 1 77 TYR QB 1 78 ARG H . . 3.280 2.219 1.891 3.254 . 0 0 "[ . 1 . 2]" 1
1548 1 77 TYR HB2 1 78 ARG H . . 3.830 3.326 1.903 3.810 . 0 0 "[ . 1 . 2]" 1
1549 1 77 TYR HB3 1 78 ARG H . . 3.830 2.450 1.927 3.866 0.036 10 0 "[ . 1 . 2]" 1
1550 1 77 TYR QD 1 78 ARG H . . 5.320 3.323 2.242 4.067 . 0 0 "[ . 1 . 2]" 1
1551 1 78 ARG H 1 78 ARG HB2 . . 3.850 2.827 2.222 3.332 . 0 0 "[ . 1 . 2]" 1
1552 1 78 ARG H 1 78 ARG QB . . 3.350 2.460 2.199 2.953 . 0 0 "[ . 1 . 2]" 1
1553 1 78 ARG H 1 78 ARG HB3 . . 3.850 2.802 2.472 3.488 . 0 0 "[ . 1 . 2]" 1
1554 1 78 ARG H 1 79 MET H . . 4.530 4.342 3.642 4.539 0.009 7 0 "[ . 1 . 2]" 1
1555 1 78 ARG HA 1 78 ARG QD . . 4.530 3.711 2.043 4.161 . 0 0 "[ . 1 . 2]" 1
1556 1 78 ARG HA 1 78 ARG HG2 . . 4.240 3.212 2.693 3.881 . 0 0 "[ . 1 . 2]" 1
1557 1 78 ARG HA 1 78 ARG QG . . 3.540 2.406 2.173 3.076 . 0 0 "[ . 1 . 2]" 1
1558 1 78 ARG HA 1 78 ARG HG3 . . 4.240 2.503 2.210 3.240 . 0 0 "[ . 1 . 2]" 1
1559 1 78 ARG HA 1 79 MET H . . 2.910 2.186 2.142 2.312 . 0 0 "[ . 1 . 2]" 1
1560 1 78 ARG QB 1 78 ARG QD . . 3.050 2.232 2.039 2.664 . 0 0 "[ . 1 . 2]" 1
1561 1 78 ARG QB 1 79 MET H . . 3.880 3.674 3.358 3.906 0.026 19 0 "[ . 1 . 2]" 1
1562 1 78 ARG HB2 1 79 MET H . . 4.630 4.285 3.790 4.591 . 0 0 "[ . 1 . 2]" 1
1563 1 78 ARG HB3 1 79 MET H . . 4.630 4.020 3.476 4.264 . 0 0 "[ . 1 . 2]" 1
1564 1 78 ARG QD 1 80 ASP QB . . 4.170 3.532 2.670 4.178 0.008 10 0 "[ . 1 . 2]" 1
1565 1 78 ARG QG 1 79 MET H . . 3.800 2.820 1.949 3.780 . 0 0 "[ . 1 . 2]" 1
1566 1 78 ARG QG 1 80 ASP QB . . 3.710 2.839 2.191 3.713 0.003 4 0 "[ . 1 . 2]" 1
1567 1 78 ARG HG2 1 79 MET H . . 4.370 3.469 2.120 4.385 0.015 14 0 "[ . 1 . 2]" 1
1568 1 78 ARG HG3 1 79 MET H . . 4.370 3.166 1.971 4.373 0.003 4 0 "[ . 1 . 2]" 1
1569 1 79 MET H 1 79 MET HB2 . . 3.590 2.885 2.519 3.696 0.106 14 0 "[ . 1 . 2]" 1
1570 1 79 MET H 1 79 MET HB3 . . 3.590 2.694 2.508 2.933 . 0 0 "[ . 1 . 2]" 1
1571 1 79 MET H 1 79 MET ME . . 5.470 5.136 4.354 5.465 . 0 0 "[ . 1 . 2]" 1
1572 1 79 MET H 1 79 MET QG . . 4.270 3.985 1.906 4.236 . 0 0 "[ . 1 . 2]" 1
1573 1 79 MET H 1 80 ASP H . . 4.520 3.704 2.654 4.035 . 0 0 "[ . 1 . 2]" 1
1574 1 79 MET HA 1 79 MET ME . . 3.920 3.597 2.967 3.939 0.019 14 0 "[ . 1 . 2]" 1
1575 1 79 MET HA 1 80 ASP H . . 3.350 2.362 2.189 2.834 . 0 0 "[ . 1 . 2]" 1
1576 1 79 MET QB 1 98 LEU MD2 . . 4.080 3.400 3.040 3.733 . 0 0 "[ . 1 . 2]" 1
1577 1 79 MET HB2 1 98 LEU MD2 . . 4.800 4.678 3.891 4.806 0.006 3 0 "[ . 1 . 2]" 1
1578 1 79 MET HB3 1 98 LEU MD2 . . 4.800 3.534 3.117 4.801 0.001 14 0 "[ . 1 . 2]" 1
1579 1 79 MET ME 1 79 MET QG . . 3.480 2.112 1.972 2.620 . 0 0 "[ . 1 . 2]" 1
1580 1 79 MET QG 1 80 ASP H . . 4.510 3.919 3.402 4.474 . 0 0 "[ . 1 . 2]" 1
1581 1 79 MET QG 1 98 LEU MD1 . . 3.440 2.285 1.859 2.736 . 0 0 "[ . 1 . 2]" 1
1582 1 79 MET QG 1 98 LEU MD2 . . 3.510 2.719 2.125 3.469 . 0 0 "[ . 1 . 2]" 1
1583 1 80 ASP HA 1 81 PRO HD2 . . 3.350 2.196 2.087 2.256 . 0 0 "[ . 1 . 2]" 1
1584 1 80 ASP HA 1 81 PRO HD3 . . 3.340 2.253 2.251 2.263 . 0 0 "[ . 1 . 2]" 1
1585 1 80 ASP HA 1 81 PRO HG2 . . 4.700 4.348 4.262 4.396 . 0 0 "[ . 1 . 2]" 1
1586 1 80 ASP QB 1 81 PRO HD2 . . 3.780 2.728 2.409 3.525 . 0 0 "[ . 1 . 2]" 1
1587 1 80 ASP HB2 1 81 PRO HD2 . . 4.580 4.018 3.663 4.164 . 0 0 "[ . 1 . 2]" 1
1588 1 80 ASP HB3 1 81 PRO HD2 . . 4.580 2.819 2.432 3.981 . 0 0 "[ . 1 . 2]" 1
1589 1 81 PRO HA 1 82 PRO HD2 . . 3.640 2.522 2.415 2.580 . 0 0 "[ . 1 . 2]" 1
1590 1 81 PRO HA 1 82 PRO QG . . 4.550 4.085 4.015 4.124 . 0 0 "[ . 1 . 2]" 1
1591 1 81 PRO HB2 1 82 PRO HD2 . . 3.750 2.107 1.979 2.347 . 0 0 "[ . 1 . 2]" 1
1592 1 81 PRO HB2 1 82 PRO HD3 . . 4.070 3.540 3.431 3.740 . 0 0 "[ . 1 . 2]" 1
1593 1 81 PRO HB2 1 85 ILE HG12 . . 4.510 3.000 2.694 3.245 . 0 0 "[ . 1 . 2]" 1
1594 1 81 PRO HB2 1 85 ILE HG13 . . 4.440 2.774 2.505 3.066 . 0 0 "[ . 1 . 2]" 1
1595 1 81 PRO HB2 1 86 TYR H . . 4.560 3.908 3.457 4.282 . 0 0 "[ . 1 . 2]" 1
1596 1 81 PRO HB2 1 86 TYR HA . . 4.690 4.173 3.640 4.614 . 0 0 "[ . 1 . 2]" 1
1597 1 81 PRO HB2 1 86 TYR HB2 . . 4.720 4.098 3.720 4.529 . 0 0 "[ . 1 . 2]" 1
1598 1 81 PRO HB2 1 86 TYR QD . . 3.860 3.636 3.401 3.839 . 0 0 "[ . 1 . 2]" 1
1599 1 81 PRO HB2 1 86 TYR QE . . 5.420 5.074 4.921 5.212 . 0 0 "[ . 1 . 2]" 1
1600 1 81 PRO HB3 1 82 PRO HD2 . . 4.050 2.740 2.678 2.860 . 0 0 "[ . 1 . 2]" 1
1601 1 81 PRO HB3 1 82 PRO HD3 . . 4.430 3.790 3.717 3.927 . 0 0 "[ . 1 . 2]" 1
1602 1 81 PRO HB3 1 85 ILE MD . . 3.720 2.717 2.336 3.182 . 0 0 "[ . 1 . 2]" 1
1603 1 81 PRO HB3 1 85 ILE HG12 . . 4.680 4.398 4.038 4.680 0.000 16 0 "[ . 1 . 2]" 1
1604 1 81 PRO HB3 1 85 ILE HG13 . . 4.410 4.057 3.715 4.408 . 0 0 "[ . 1 . 2]" 1
1605 1 81 PRO HD2 1 86 TYR QD . . 3.840 3.509 3.143 3.871 0.031 3 0 "[ . 1 . 2]" 1
1606 1 81 PRO HD2 1 86 TYR QE . . 3.780 2.600 2.085 3.177 . 0 0 "[ . 1 . 2]" 1
1607 1 81 PRO HD3 1 86 TYR QD . . 4.790 4.662 4.518 4.798 0.008 15 0 "[ . 1 . 2]" 1
1608 1 81 PRO HD3 1 86 TYR QE . . 4.440 4.055 3.812 4.349 . 0 0 "[ . 1 . 2]" 1
1609 1 81 PRO HG2 1 86 TYR H . . 4.900 4.462 4.059 4.897 . 0 0 "[ . 1 . 2]" 1
1610 1 81 PRO HG2 1 86 TYR HA . . 4.040 3.581 3.019 4.039 . 0 0 "[ . 1 . 2]" 1
1611 1 81 PRO HG2 1 86 TYR QD . . 3.480 2.170 1.980 2.475 . 0 0 "[ . 1 . 2]" 1
1612 1 81 PRO HG2 1 86 TYR QE . . 4.100 2.988 2.702 3.210 . 0 0 "[ . 1 . 2]" 1
1613 1 81 PRO HG3 1 86 TYR HA . . 4.760 4.291 3.765 4.752 . 0 0 "[ . 1 . 2]" 1
1614 1 81 PRO HG3 1 86 TYR QD . . 4.160 3.572 2.728 4.081 . 0 0 "[ . 1 . 2]" 1
1615 1 81 PRO HG3 1 86 TYR QE . . 4.890 3.809 2.955 4.255 . 0 0 "[ . 1 . 2]" 1
1616 1 82 PRO HA 1 83 SER H . . 2.860 2.268 2.203 2.640 . 0 0 "[ . 1 . 2]" 1
1617 1 82 PRO HA 1 83 SER HA . . 4.600 4.335 4.328 4.397 . 0 0 "[ . 1 . 2]" 1
1618 1 82 PRO HA 1 83 SER QB . . 4.470 4.370 4.116 4.471 0.001 12 0 "[ . 1 . 2]" 1
1619 1 82 PRO HA 1 84 GLU H . . 4.360 3.732 3.626 4.171 . 0 0 "[ . 1 . 2]" 1
1620 1 82 PRO HB2 1 83 SER H . . 4.000 3.004 2.066 3.222 . 0 0 "[ . 1 . 2]" 1
1621 1 82 PRO HB2 1 84 GLU H . . 3.890 2.152 2.113 2.194 . 0 0 "[ . 1 . 2]" 1
1622 1 82 PRO HB2 1 85 ILE H . . 3.980 3.553 3.395 3.859 . 0 0 "[ . 1 . 2]" 1
1623 1 82 PRO HB2 1 85 ILE MD . . 4.780 4.614 4.213 4.764 . 0 0 "[ . 1 . 2]" 1
1624 1 82 PRO HB2 1 85 ILE HG12 . . 4.330 3.853 3.751 3.972 . 0 0 "[ . 1 . 2]" 1
1625 1 82 PRO HB2 1 85 ILE HG13 . . 5.500 5.471 5.386 5.528 0.028 14 0 "[ . 1 . 2]" 1
1626 1 82 PRO HB2 1 85 ILE MG . . 4.720 4.178 3.792 4.623 . 0 0 "[ . 1 . 2]" 1
1627 1 82 PRO HB3 1 83 SER H . . 3.960 3.673 3.206 3.798 . 0 0 "[ . 1 . 2]" 1
1628 1 82 PRO HB3 1 84 GLU H . . 4.140 3.825 3.807 3.896 . 0 0 "[ . 1 . 2]" 1
1629 1 82 PRO HB3 1 85 ILE H . . 5.500 5.086 4.923 5.389 . 0 0 "[ . 1 . 2]" 1
1630 1 82 PRO HB3 1 85 ILE MD . . 5.050 4.930 4.590 5.050 . 0 0 "[ . 1 . 2]" 1
1631 1 82 PRO HB3 1 85 ILE HG12 . . 4.930 4.798 4.672 4.906 . 0 0 "[ . 1 . 2]" 1
1632 1 82 PRO HD2 1 85 ILE MD . . 3.430 2.027 1.903 2.247 . 0 0 "[ . 1 . 2]" 1
1633 1 82 PRO HD2 1 85 ILE HG12 . . 4.240 2.720 2.383 2.960 . 0 0 "[ . 1 . 2]" 1
1634 1 82 PRO HD2 1 85 ILE HG13 . . 4.480 3.569 3.353 3.754 . 0 0 "[ . 1 . 2]" 1
1635 1 82 PRO HD2 1 86 TYR H . . 5.380 4.670 4.333 4.998 . 0 0 "[ . 1 . 2]" 1
1636 1 82 PRO HD3 1 85 ILE MD . . 4.340 3.418 3.203 3.622 . 0 0 "[ . 1 . 2]" 1
1637 1 82 PRO HD3 1 85 ILE HG12 . . 4.710 4.215 3.934 4.403 . 0 0 "[ . 1 . 2]" 1
1638 1 82 PRO HD3 1 85 ILE MG . . 5.400 4.987 4.580 5.310 . 0 0 "[ . 1 . 2]" 1
1639 1 82 PRO QG 1 83 SER H . . 4.780 4.401 3.748 4.524 . 0 0 "[ . 1 . 2]" 1
1640 1 82 PRO QG 1 85 ILE H . . 4.080 2.976 2.823 3.141 . 0 0 "[ . 1 . 2]" 1
1641 1 82 PRO QG 1 85 ILE MD . . 3.270 2.501 2.067 2.642 . 0 0 "[ . 1 . 2]" 1
1642 1 82 PRO QG 1 85 ILE HG12 . . 3.680 2.006 1.979 2.086 . 0 0 "[ . 1 . 2]" 1
1643 1 82 PRO QG 1 85 ILE HG13 . . 5.150 3.631 3.550 3.700 . 0 0 "[ . 1 . 2]" 1
1644 1 82 PRO QG 1 85 ILE MG . . 4.370 2.644 2.168 3.024 . 0 0 "[ . 1 . 2]" 1
1645 1 82 PRO HG2 1 85 ILE H . . 4.850 3.008 2.851 3.181 . 0 0 "[ . 1 . 2]" 1
1646 1 82 PRO HG2 1 85 ILE MD . . 4.040 2.590 2.120 2.753 . 0 0 "[ . 1 . 2]" 1
1647 1 82 PRO HG2 1 85 ILE HG12 . . 4.230 2.015 1.988 2.096 . 0 0 "[ . 1 . 2]" 1
1648 1 82 PRO HG3 1 85 ILE H . . 4.850 4.709 4.548 4.861 0.011 16 0 "[ . 1 . 2]" 1
1649 1 82 PRO HG3 1 85 ILE MD . . 4.040 3.307 2.869 3.527 . 0 0 "[ . 1 . 2]" 1
1650 1 82 PRO HG3 1 85 ILE HG12 . . 4.230 3.682 3.600 3.788 . 0 0 "[ . 1 . 2]" 1
1651 1 83 SER H 1 83 SER QB . . 2.910 2.512 2.191 2.876 . 0 0 "[ . 1 . 2]" 1
1652 1 83 SER H 1 84 GLU H . . 3.670 2.621 2.299 2.688 . 0 0 "[ . 1 . 2]" 1
1653 1 83 SER HA 1 85 ILE H . . 4.770 3.723 3.516 3.884 . 0 0 "[ . 1 . 2]" 1
1654 1 83 SER HA 1 86 TYR H . . 4.200 3.148 3.008 3.270 . 0 0 "[ . 1 . 2]" 1
1655 1 83 SER HA 1 86 TYR HB2 . . 3.830 2.265 2.050 2.451 . 0 0 "[ . 1 . 2]" 1
1656 1 83 SER HA 1 86 TYR HB3 . . 3.970 2.701 2.583 3.024 . 0 0 "[ . 1 . 2]" 1
1657 1 83 SER QB 1 84 GLU H . . 3.890 3.682 3.303 3.912 0.022 3 0 "[ . 1 . 2]" 1
1658 1 83 SER QB 1 85 ILE H . . 5.140 4.951 4.811 5.105 . 0 0 "[ . 1 . 2]" 1
1659 1 83 SER QB 1 86 TYR HB2 . . 4.140 4.075 3.871 4.160 0.020 3 0 "[ . 1 . 2]" 1
1660 1 83 SER QB 1 86 TYR HB3 . . 4.290 4.090 3.829 4.267 . 0 0 "[ . 1 . 2]" 1
1661 1 83 SER QB 1 87 PRO HD2 . . 5.000 4.559 4.350 4.978 . 0 0 "[ . 1 . 2]" 1
1662 1 83 SER QB 1 87 PRO HD3 . . 4.470 3.601 3.299 4.122 . 0 0 "[ . 1 . 2]" 1
1663 1 84 GLU H 1 84 GLU HB2 . . 3.620 3.138 2.732 3.653 0.033 3 0 "[ . 1 . 2]" 1
1664 1 84 GLU H 1 84 GLU QB . . 3.050 2.281 2.196 2.483 . 0 0 "[ . 1 . 2]" 1
1665 1 84 GLU H 1 84 GLU HB3 . . 3.620 2.363 2.285 2.527 . 0 0 "[ . 1 . 2]" 1
1666 1 84 GLU H 1 84 GLU HG2 . . 4.520 3.575 2.457 4.541 0.021 5 0 "[ . 1 . 2]" 1
1667 1 84 GLU H 1 84 GLU HG3 . . 4.520 4.183 3.776 4.519 . 0 0 "[ . 1 . 2]" 1
1668 1 84 GLU H 1 85 ILE H . . 3.530 2.434 2.274 2.510 . 0 0 "[ . 1 . 2]" 1
1669 1 84 GLU H 1 85 ILE MG . . 4.670 4.151 3.942 4.305 . 0 0 "[ . 1 . 2]" 1
1670 1 84 GLU H 1 86 TYR H . . 4.450 3.695 3.571 3.851 . 0 0 "[ . 1 . 2]" 1
1671 1 84 GLU HA 1 84 GLU QG . . 3.610 2.935 2.494 3.307 . 0 0 "[ . 1 . 2]" 1
1672 1 84 GLU QB 1 85 ILE MG . . 3.960 3.256 2.759 3.681 . 0 0 "[ . 1 . 2]" 1
1673 1 84 GLU HB2 1 85 ILE H . . 4.280 4.190 4.104 4.338 0.058 3 0 "[ . 1 . 2]" 1
1674 1 84 GLU HB2 1 85 ILE MG . . 4.600 4.150 3.748 4.478 . 0 0 "[ . 1 . 2]" 1
1675 1 84 GLU HB3 1 85 ILE H . . 4.280 3.409 2.907 4.076 . 0 0 "[ . 1 . 2]" 1
1676 1 84 GLU HB3 1 85 ILE MG . . 4.600 3.572 2.796 4.319 . 0 0 "[ . 1 . 2]" 1
1677 1 84 GLU QG 1 85 ILE H . . 4.140 3.105 2.223 3.744 . 0 0 "[ . 1 . 2]" 1
1678 1 84 GLU QG 1 85 ILE MG . . 3.360 2.189 1.775 2.813 . 0 0 "[ . 1 . 2]" 1
1679 1 84 GLU QG 1 86 TYR H . . 5.340 4.756 3.962 5.347 0.007 1 0 "[ . 1 . 2]" 1
1680 1 84 GLU HG2 1 85 ILE MG . . 3.990 2.449 1.981 3.398 . 0 0 "[ . 1 . 2]" 1
1681 1 84 GLU HG3 1 85 ILE MG . . 3.990 2.772 1.888 3.730 . 0 0 "[ . 1 . 2]" 1
1682 1 85 ILE H 1 85 ILE HB . . 3.850 3.788 3.735 3.837 . 0 0 "[ . 1 . 2]" 1
1683 1 85 ILE H 1 85 ILE MD . . 4.380 3.818 3.670 3.944 . 0 0 "[ . 1 . 2]" 1
1684 1 85 ILE H 1 85 ILE HG12 . . 3.570 2.179 2.032 2.350 . 0 0 "[ . 1 . 2]" 1
1685 1 85 ILE H 1 85 ILE HG13 . . 3.860 3.109 2.943 3.324 . 0 0 "[ . 1 . 2]" 1
1686 1 85 ILE H 1 85 ILE MG . . 3.490 2.774 2.546 2.916 . 0 0 "[ . 1 . 2]" 1
1687 1 85 ILE H 1 86 TYR H . . 2.990 1.913 1.831 2.000 . 0 0 "[ . 1 . 2]" 1
1688 1 85 ILE H 1 86 TYR HB2 . . 4.760 3.728 3.639 3.833 . 0 0 "[ . 1 . 2]" 1
1689 1 85 ILE H 1 86 TYR HB3 . . 4.810 4.665 4.529 4.812 0.002 6 0 "[ . 1 . 2]" 1
1690 1 85 ILE H 1 87 PRO HD2 . . 4.440 2.844 2.681 3.030 . 0 0 "[ . 1 . 2]" 1
1691 1 85 ILE H 1 87 PRO HD3 . . 4.790 4.101 3.930 4.280 . 0 0 "[ . 1 . 2]" 1
1692 1 85 ILE H 1 87 PRO QG . . 4.530 4.246 4.106 4.417 . 0 0 "[ . 1 . 2]" 1
1693 1 85 ILE HA 1 85 ILE MD . . 4.190 4.163 4.140 4.179 . 0 0 "[ . 1 . 2]" 1
1694 1 85 ILE HA 1 85 ILE MG . . 3.140 2.349 2.240 2.462 . 0 0 "[ . 1 . 2]" 1
1695 1 85 ILE HA 1 87 PRO HD2 . . 4.320 3.273 3.216 3.320 . 0 0 "[ . 1 . 2]" 1
1696 1 85 ILE HA 1 88 LEU H . . 4.180 3.312 2.983 3.843 . 0 0 "[ . 1 . 2]" 1
1697 1 85 ILE HA 1 88 LEU MD1 . . 3.490 1.928 1.893 1.977 . 0 0 "[ . 1 . 2]" 1
1698 1 85 ILE HA 1 88 LEU HG . . 3.230 1.980 1.970 1.986 . 0 0 "[ . 1 . 2]" 1
1699 1 85 ILE HA 1 94 TRP HE1 . . 5.500 5.157 4.847 5.515 0.015 5 0 "[ . 1 . 2]" 1
1700 1 85 ILE HA 1 94 TRP HZ2 . . 5.000 3.452 3.207 3.764 . 0 0 "[ . 1 . 2]" 1
1701 1 85 ILE HB 1 85 ILE MD . . 3.650 2.398 2.284 2.486 . 0 0 "[ . 1 . 2]" 1
1702 1 85 ILE HB 1 86 TYR H . . 4.060 3.921 3.847 3.997 . 0 0 "[ . 1 . 2]" 1
1703 1 85 ILE HB 1 88 LEU MD1 . . 3.240 2.727 2.429 3.185 . 0 0 "[ . 1 . 2]" 1
1704 1 85 ILE HB 1 94 TRP HH2 . . 4.710 2.305 2.175 2.506 . 0 0 "[ . 1 . 2]" 1
1705 1 85 ILE HB 1 94 TRP HZ2 . . 4.260 2.087 1.983 2.288 . 0 0 "[ . 1 . 2]" 1
1706 1 85 ILE MD 1 86 TYR H . . 4.090 3.920 3.765 4.100 0.010 9 0 "[ . 1 . 2]" 1
1707 1 85 ILE MD 1 86 TYR HA . . 4.830 4.402 4.141 4.616 . 0 0 "[ . 1 . 2]" 1
1708 1 85 ILE MD 1 94 TRP HE3 . . 4.930 3.689 3.440 4.114 . 0 0 "[ . 1 . 2]" 1
1709 1 85 ILE MD 1 94 TRP HH2 . . 3.480 2.221 1.959 2.491 . 0 0 "[ . 1 . 2]" 1
1710 1 85 ILE MD 1 94 TRP HZ2 . . 4.040 3.305 3.116 3.642 . 0 0 "[ . 1 . 2]" 1
1711 1 85 ILE HG12 1 85 ILE MG . . 3.520 2.357 2.227 2.482 . 0 0 "[ . 1 . 2]" 1
1712 1 85 ILE HG12 1 86 TYR H . . 4.050 2.604 2.287 2.865 . 0 0 "[ . 1 . 2]" 1
1713 1 85 ILE HG12 1 94 TRP HH2 . . 5.500 4.472 4.322 4.634 . 0 0 "[ . 1 . 2]" 1
1714 1 85 ILE HG12 1 94 TRP HZ2 . . 5.500 4.250 4.072 4.462 . 0 0 "[ . 1 . 2]" 1
1715 1 85 ILE HG13 1 85 ILE MG . . 3.660 3.193 3.184 3.201 . 0 0 "[ . 1 . 2]" 1
1716 1 85 ILE HG13 1 86 TYR H . . 4.080 2.446 2.280 2.616 . 0 0 "[ . 1 . 2]" 1
1717 1 85 ILE HG13 1 86 TYR HA . . 4.570 3.056 2.863 3.193 . 0 0 "[ . 1 . 2]" 1
1718 1 85 ILE HG13 1 94 TRP HH2 . . 4.520 3.504 3.335 3.671 . 0 0 "[ . 1 . 2]" 1
1719 1 85 ILE HG13 1 94 TRP HZ2 . . 4.270 2.829 2.648 3.014 . 0 0 "[ . 1 . 2]" 1
1720 1 85 ILE MG 1 86 TYR H . . 4.430 3.906 3.775 4.028 . 0 0 "[ . 1 . 2]" 1
1721 1 85 ILE MG 1 87 PRO HD2 . . 5.500 4.597 4.539 4.648 . 0 0 "[ . 1 . 2]" 1
1722 1 85 ILE MG 1 88 LEU MD1 . . 3.200 2.333 2.116 2.540 . 0 0 "[ . 1 . 2]" 1
1723 1 85 ILE MG 1 94 TRP HH2 . . 4.020 3.255 3.112 3.438 . 0 0 "[ . 1 . 2]" 1
1724 1 85 ILE MG 1 94 TRP HZ2 . . 4.720 3.806 3.697 3.972 . 0 0 "[ . 1 . 2]" 1
1725 1 86 TYR H 1 86 TYR HB2 . . 3.150 2.146 2.141 2.154 . 0 0 "[ . 1 . 2]" 1
1726 1 86 TYR H 1 86 TYR HB3 . . 3.280 3.085 3.035 3.143 . 0 0 "[ . 1 . 2]" 1
1727 1 86 TYR H 1 86 TYR QD . . 4.060 3.845 3.696 3.966 . 0 0 "[ . 1 . 2]" 1
1728 1 86 TYR H 1 87 PRO QG . . 4.280 4.123 4.051 4.190 . 0 0 "[ . 1 . 2]" 1
1729 1 86 TYR H 1 88 LEU HG . . 5.130 4.641 4.394 4.852 . 0 0 "[ . 1 . 2]" 1
1730 1 86 TYR HA 1 86 TYR QD . . 3.630 2.613 1.981 3.048 . 0 0 "[ . 1 . 2]" 1
1731 1 86 TYR HA 1 86 TYR QE . . 4.740 4.360 4.132 4.518 . 0 0 "[ . 1 . 2]" 1
1732 1 86 TYR HA 1 88 LEU H . . 4.520 3.993 3.476 4.518 . 0 0 "[ . 1 . 2]" 1
1733 1 86 TYR HA 1 89 LYS H . . 4.260 3.847 3.595 4.111 . 0 0 "[ . 1 . 2]" 1
1734 1 86 TYR HA 1 94 TRP HD1 . . 5.100 3.185 3.017 3.442 . 0 0 "[ . 1 . 2]" 1
1735 1 86 TYR HA 1 94 TRP HE1 . . 3.220 2.047 1.893 2.170 . 0 0 "[ . 1 . 2]" 1
1736 1 86 TYR HA 1 94 TRP HH2 . . 5.500 5.526 5.511 5.542 0.042 3 0 "[ . 1 . 2]" 1
1737 1 86 TYR HA 1 94 TRP HZ2 . . 3.690 3.626 3.449 3.750 0.060 19 0 "[ . 1 . 2]" 1
1738 1 86 TYR HB2 1 87 PRO HD2 . . 3.770 3.283 3.222 3.330 . 0 0 "[ . 1 . 2]" 1
1739 1 86 TYR HB2 1 87 PRO HD3 . . 3.630 2.950 2.895 2.992 . 0 0 "[ . 1 . 2]" 1
1740 1 86 TYR HB2 1 94 TRP HE1 . . 4.810 4.662 4.564 4.781 . 0 0 "[ . 1 . 2]" 1
1741 1 86 TYR HB3 1 87 PRO HD2 . . 3.700 2.977 2.951 3.005 . 0 0 "[ . 1 . 2]" 1
1742 1 86 TYR HB3 1 87 PRO HD3 . . 3.480 1.926 1.896 1.957 . 0 0 "[ . 1 . 2]" 1
1743 1 86 TYR HB3 1 87 PRO QG . . 4.220 3.920 3.894 3.946 . 0 0 "[ . 1 . 2]" 1
1744 1 86 TYR QD 1 87 PRO HA . . 4.860 4.179 3.778 4.868 0.008 7 0 "[ . 1 . 2]" 1
1745 1 86 TYR QD 1 87 PRO HB3 . . 5.270 5.174 4.967 5.287 0.017 10 0 "[ . 1 . 2]" 1
1746 1 86 TYR QD 1 87 PRO HD2 . . 4.780 4.690 4.657 4.732 . 0 0 "[ . 1 . 2]" 1
1747 1 86 TYR QD 1 87 PRO HD3 . . 4.170 3.969 3.821 4.092 . 0 0 "[ . 1 . 2]" 1
1748 1 86 TYR QD 1 91 ALA HA . . 4.910 4.175 3.612 4.796 . 0 0 "[ . 1 . 2]" 1
1749 1 86 TYR QD 1 94 TRP HD1 . . 4.640 3.250 2.840 4.062 . 0 0 "[ . 1 . 2]" 1
1750 1 86 TYR QD 1 94 TRP HE1 . . 4.230 3.655 3.138 3.986 . 0 0 "[ . 1 . 2]" 1
1751 1 86 TYR QE 1 91 ALA HA . . 4.300 3.040 2.562 3.847 . 0 0 "[ . 1 . 2]" 1
1752 1 86 TYR QE 1 91 ALA MB . . 4.100 2.962 2.326 3.813 . 0 0 "[ . 1 . 2]" 1
1753 1 86 TYR QE 1 94 TRP HB2 . . 4.910 3.869 2.702 4.740 . 0 0 "[ . 1 . 2]" 1
1754 1 86 TYR QE 1 94 TRP HD1 . . 4.280 3.487 2.688 4.007 . 0 0 "[ . 1 . 2]" 1
1755 1 86 TYR QE 1 94 TRP HE1 . . 5.320 5.100 4.546 5.329 0.009 13 0 "[ . 1 . 2]" 1
1756 1 87 PRO HA 1 89 LYS H . . 4.510 4.278 4.018 4.446 . 0 0 "[ . 1 . 2]" 1
1757 1 87 PRO HB3 1 88 LEU H . . 4.670 4.338 4.097 4.592 . 0 0 "[ . 1 . 2]" 1
1758 1 87 PRO HB3 1 88 LEU MD2 . . 5.440 5.101 4.543 5.444 0.004 2 0 "[ . 1 . 2]" 1
1759 1 87 PRO HD2 1 88 LEU H . . 4.030 2.892 2.647 3.301 . 0 0 "[ . 1 . 2]" 1
1760 1 87 PRO HD2 1 88 LEU HG . . 3.730 3.449 3.275 3.624 . 0 0 "[ . 1 . 2]" 1
1761 1 87 PRO HD3 1 88 LEU H . . 4.780 3.970 3.836 4.190 . 0 0 "[ . 1 . 2]" 1
1762 1 88 LEU H 1 88 LEU HB2 . . 3.090 2.522 2.427 2.610 . 0 0 "[ . 1 . 2]" 1
1763 1 88 LEU H 1 88 LEU HB3 . . 3.830 3.637 3.581 3.736 . 0 0 "[ . 1 . 2]" 1
1764 1 88 LEU H 1 88 LEU MD1 . . 4.150 3.813 3.663 4.134 . 0 0 "[ . 1 . 2]" 1
1765 1 88 LEU H 1 88 LEU MD2 . . 3.740 3.266 3.087 3.422 . 0 0 "[ . 1 . 2]" 1
1766 1 88 LEU H 1 88 LEU HG . . 2.960 2.451 2.253 2.819 . 0 0 "[ . 1 . 2]" 1
1767 1 88 LEU H 1 89 LYS H . . 3.130 2.439 1.957 2.815 . 0 0 "[ . 1 . 2]" 1
1768 1 88 LEU H 1 94 TRP HE1 . . 4.340 3.630 3.238 3.872 . 0 0 "[ . 1 . 2]" 1
1769 1 88 LEU H 1 94 TRP HZ2 . . 4.180 3.796 3.570 4.075 . 0 0 "[ . 1 . 2]" 1
1770 1 88 LEU HA 1 88 LEU MD1 . . 3.890 3.838 3.784 3.862 . 0 0 "[ . 1 . 2]" 1
1771 1 88 LEU HA 1 88 LEU MD2 . . 2.810 2.104 2.026 2.154 . 0 0 "[ . 1 . 2]" 1
1772 1 88 LEU HA 1 88 LEU HG . . 3.590 3.215 3.122 3.371 . 0 0 "[ . 1 . 2]" 1
1773 1 88 LEU HA 1 94 TRP HZ2 . . 5.500 5.380 5.321 5.437 . 0 0 "[ . 1 . 2]" 1
1774 1 88 LEU HB2 1 88 LEU MD1 . . 3.190 2.340 2.252 2.471 . 0 0 "[ . 1 . 2]" 1
1775 1 88 LEU HB2 1 88 LEU MD2 . . 3.380 3.190 3.180 3.194 . 0 0 "[ . 1 . 2]" 1
1776 1 88 LEU HB2 1 89 LYS H . . 3.700 2.690 2.517 2.872 . 0 0 "[ . 1 . 2]" 1
1777 1 88 LEU HB2 1 89 LYS QG . . 4.720 2.875 2.515 3.440 . 0 0 "[ . 1 . 2]" 1
1778 1 88 LEU HB2 1 94 TRP HH2 . . 4.840 4.376 4.257 4.495 . 0 0 "[ . 1 . 2]" 1
1779 1 88 LEU HB2 1 94 TRP HZ2 . . 4.040 2.618 2.563 2.676 . 0 0 "[ . 1 . 2]" 1
1780 1 88 LEU HB3 1 88 LEU MD1 . . 3.210 2.343 2.173 2.417 . 0 0 "[ . 1 . 2]" 1
1781 1 88 LEU HB3 1 89 LYS H . . 4.040 3.732 3.526 3.949 . 0 0 "[ . 1 . 2]" 1
1782 1 88 LEU HB3 1 89 LYS QG . . 4.590 3.217 3.052 3.406 . 0 0 "[ . 1 . 2]" 1
1783 1 88 LEU HB3 1 94 TRP HH2 . . 5.500 5.523 5.509 5.543 0.043 19 0 "[ . 1 . 2]" 1
1784 1 88 LEU HB3 1 94 TRP HZ2 . . 4.440 4.182 4.060 4.339 . 0 0 "[ . 1 . 2]" 1
1785 1 88 LEU MD1 1 89 LYS H . . 4.830 4.615 4.439 4.808 . 0 0 "[ . 1 . 2]" 1
1786 1 88 LEU MD1 1 94 TRP HZ2 . . 4.220 3.605 3.448 3.969 . 0 0 "[ . 1 . 2]" 1
1787 1 88 LEU MD2 1 89 LYS H . . 4.850 4.597 4.470 4.671 . 0 0 "[ . 1 . 2]" 1
1788 1 88 LEU HG 1 89 LYS H . . 4.510 4.315 4.182 4.442 . 0 0 "[ . 1 . 2]" 1
1789 1 88 LEU HG 1 94 TRP HE1 . . 5.500 5.511 5.320 5.550 0.050 3 0 "[ . 1 . 2]" 1
1790 1 89 LYS H 1 89 LYS HB2 . . 3.490 2.644 2.474 2.789 . 0 0 "[ . 1 . 2]" 1
1791 1 89 LYS H 1 89 LYS HB3 . . 4.050 3.764 3.676 3.834 . 0 0 "[ . 1 . 2]" 1
1792 1 89 LYS H 1 89 LYS QD . . 5.000 3.979 3.725 4.146 . 0 0 "[ . 1 . 2]" 1
1793 1 89 LYS H 1 89 LYS HG2 . . 4.490 4.070 3.647 4.443 . 0 0 "[ . 1 . 2]" 1
1794 1 89 LYS H 1 89 LYS QG . . 3.610 2.816 2.492 3.151 . 0 0 "[ . 1 . 2]" 1
1795 1 89 LYS H 1 89 LYS HG3 . . 4.490 2.871 2.537 3.223 . 0 0 "[ . 1 . 2]" 1
1796 1 89 LYS H 1 90 MET H . . 4.550 4.487 4.447 4.527 . 0 0 "[ . 1 . 2]" 1
1797 1 89 LYS H 1 93 GLU HB2 . . 5.500 5.513 5.420 5.559 0.059 16 0 "[ . 1 . 2]" 1
1798 1 89 LYS H 1 94 TRP HD1 . . 4.850 4.540 4.364 4.798 . 0 0 "[ . 1 . 2]" 1
1799 1 89 LYS H 1 94 TRP HE1 . . 3.200 2.298 2.056 2.573 . 0 0 "[ . 1 . 2]" 1
1800 1 89 LYS HA 1 89 LYS QD . . 4.500 4.196 4.082 4.242 . 0 0 "[ . 1 . 2]" 1
1801 1 89 LYS HA 1 89 LYS HG2 . . 4.060 2.715 2.615 2.823 . 0 0 "[ . 1 . 2]" 1
1802 1 89 LYS HA 1 89 LYS QG . . 3.470 2.496 2.393 2.593 . 0 0 "[ . 1 . 2]" 1
1803 1 89 LYS HA 1 89 LYS HG3 . . 4.060 2.959 2.601 3.240 . 0 0 "[ . 1 . 2]" 1
1804 1 89 LYS HA 1 90 MET H . . 2.930 2.403 2.325 2.470 . 0 0 "[ . 1 . 2]" 1
1805 1 89 LYS HA 1 93 GLU HB2 . . 4.620 4.224 4.030 4.430 . 0 0 "[ . 1 . 2]" 1
1806 1 89 LYS HA 1 93 GLU QG . . 4.990 4.471 3.809 4.973 . 0 0 "[ . 1 . 2]" 1
1807 1 89 LYS HB2 1 89 LYS HD2 . . 4.160 3.506 3.403 3.621 . 0 0 "[ . 1 . 2]" 1
1808 1 89 LYS HB2 1 89 LYS QD . . 3.620 2.224 2.067 2.345 . 0 0 "[ . 1 . 2]" 1
1809 1 89 LYS HB2 1 89 LYS HD3 . . 4.160 2.250 2.085 2.376 . 0 0 "[ . 1 . 2]" 1
1810 1 89 LYS HB2 1 89 LYS QE . . 4.560 3.221 2.952 3.783 . 0 0 "[ . 1 . 2]" 1
1811 1 89 LYS HB2 1 90 MET H . . 3.610 3.588 3.442 3.632 0.022 6 0 "[ . 1 . 2]" 1
1812 1 89 LYS HB2 1 93 GLU H . . 5.500 5.366 5.186 5.515 0.015 14 0 "[ . 1 . 2]" 1
1813 1 89 LYS HB2 1 93 GLU HB2 . . 4.150 3.355 3.108 3.521 . 0 0 "[ . 1 . 2]" 1
1814 1 89 LYS HB2 1 93 GLU HB3 . . 4.450 3.762 3.475 4.090 . 0 0 "[ . 1 . 2]" 1
1815 1 89 LYS HB2 1 94 TRP H . . 4.620 4.103 3.561 4.629 0.009 1 0 "[ . 1 . 2]" 1
1816 1 89 LYS HB2 1 94 TRP HD1 . . 4.710 3.642 3.391 3.967 . 0 0 "[ . 1 . 2]" 1
1817 1 89 LYS HB2 1 94 TRP HE1 . . 3.910 2.485 2.368 2.581 . 0 0 "[ . 1 . 2]" 1
1818 1 89 LYS HB2 1 94 TRP HZ2 . . 4.750 3.130 2.900 3.312 . 0 0 "[ . 1 . 2]" 1
1819 1 89 LYS HB3 1 89 LYS QD . . 3.690 2.862 2.636 3.130 . 0 0 "[ . 1 . 2]" 1
1820 1 89 LYS HB3 1 89 LYS HE2 . . 4.510 3.407 1.987 4.119 . 0 0 "[ . 1 . 2]" 1
1821 1 89 LYS HB3 1 89 LYS QE . . 3.880 2.416 1.977 3.120 . 0 0 "[ . 1 . 2]" 1
1822 1 89 LYS HB3 1 89 LYS HE3 . . 4.510 2.899 2.135 4.203 . 0 0 "[ . 1 . 2]" 1
1823 1 89 LYS HB3 1 90 MET H . . 3.280 2.453 2.285 2.667 . 0 0 "[ . 1 . 2]" 1
1824 1 89 LYS HB3 1 93 GLU H . . 4.850 4.501 4.325 4.662 . 0 0 "[ . 1 . 2]" 1
1825 1 89 LYS HB3 1 93 GLU HB2 . . 3.910 2.277 2.082 2.462 . 0 0 "[ . 1 . 2]" 1
1826 1 89 LYS HB3 1 93 GLU HB3 . . 3.980 2.636 2.366 2.922 . 0 0 "[ . 1 . 2]" 1
1827 1 89 LYS HB3 1 93 GLU HG2 . . 4.640 3.890 2.771 4.552 . 0 0 "[ . 1 . 2]" 1
1828 1 89 LYS HB3 1 93 GLU HG3 . . 4.640 3.823 2.902 4.312 . 0 0 "[ . 1 . 2]" 1
1829 1 89 LYS HB3 1 94 TRP H . . 4.430 4.093 3.729 4.349 . 0 0 "[ . 1 . 2]" 1
1830 1 89 LYS HB3 1 94 TRP HE1 . . 4.470 4.086 3.981 4.165 . 0 0 "[ . 1 . 2]" 1
1831 1 89 LYS QD 1 90 MET H . . 5.250 5.040 4.817 5.152 . 0 0 "[ . 1 . 2]" 1
1832 1 89 LYS QD 1 93 GLU HB3 . . 4.090 3.717 3.288 4.094 0.004 14 0 "[ . 1 . 2]" 1
1833 1 89 LYS QD 1 94 TRP HE1 . . 5.140 3.874 3.679 4.064 . 0 0 "[ . 1 . 2]" 1
1834 1 89 LYS QD 1 94 TRP HH2 . . 5.340 2.635 2.330 2.820 . 0 0 "[ . 1 . 2]" 1
1835 1 89 LYS QD 1 94 TRP HZ2 . . 5.340 2.747 2.555 2.982 . 0 0 "[ . 1 . 2]" 1
1836 1 89 LYS QD 1 97 THR MG . . 5.340 4.463 3.919 5.137 . 0 0 "[ . 1 . 2]" 1
1837 1 89 LYS QE 1 93 GLU HB3 . . 4.220 2.191 1.977 3.595 . 0 0 "[ . 1 . 2]" 1
1838 1 89 LYS QE 1 94 TRP HH2 . . 4.880 4.342 3.911 4.888 0.008 13 0 "[ . 1 . 2]" 1
1839 1 89 LYS QE 1 97 THR MG . . 4.250 3.812 3.614 4.248 . 0 0 "[ . 1 . 2]" 1
1840 1 89 LYS HE2 1 97 THR MG . . 5.000 4.198 3.768 5.008 0.008 17 0 "[ . 1 . 2]" 1
1841 1 89 LYS HE3 1 97 THR MG . . 5.000 4.600 3.887 5.005 0.005 8 0 "[ . 1 . 2]" 1
1842 1 89 LYS QG 1 90 MET H . . 4.200 3.886 3.568 4.115 . 0 0 "[ . 1 . 2]" 1
1843 1 89 LYS HG2 1 90 MET H . . 4.900 4.113 3.755 4.399 . 0 0 "[ . 1 . 2]" 1
1844 1 89 LYS HG3 1 90 MET H . . 4.900 4.782 4.455 4.949 0.049 17 0 "[ . 1 . 2]" 1
1845 1 90 MET H 1 90 MET HB2 . . 3.970 2.478 2.204 3.572 . 0 0 "[ . 1 . 2]" 1
1846 1 90 MET H 1 90 MET QB . . 3.100 2.380 2.182 2.560 . 0 0 "[ . 1 . 2]" 1
1847 1 90 MET H 1 90 MET HB3 . . 3.970 3.524 2.341 3.612 . 0 0 "[ . 1 . 2]" 1
1848 1 90 MET H 1 90 MET HG2 . . 3.660 3.026 2.237 3.719 0.059 7 0 "[ . 1 . 2]" 1
1849 1 90 MET H 1 90 MET HG3 . . 3.660 2.999 2.133 3.667 0.007 19 0 "[ . 1 . 2]" 1
1850 1 90 MET H 1 93 GLU H . . 4.280 3.837 3.727 3.970 . 0 0 "[ . 1 . 2]" 1
1851 1 90 MET H 1 93 GLU HB2 . . 3.350 2.644 2.385 2.879 . 0 0 "[ . 1 . 2]" 1
1852 1 90 MET H 1 93 GLU HB3 . . 4.350 3.946 3.672 4.224 . 0 0 "[ . 1 . 2]" 1
1853 1 90 MET H 1 93 GLU QG . . 3.640 2.871 2.345 3.514 . 0 0 "[ . 1 . 2]" 1
1854 1 90 MET HA 1 90 MET HG2 . . 4.010 2.732 2.191 3.829 . 0 0 "[ . 1 . 2]" 1
1855 1 90 MET HA 1 90 MET QG . . 3.350 2.568 2.150 3.292 . 0 0 "[ . 1 . 2]" 1
1856 1 90 MET HA 1 90 MET HG3 . . 4.010 3.367 2.506 3.803 . 0 0 "[ . 1 . 2]" 1
1857 1 90 MET QB 1 91 ALA H . . 3.970 2.985 2.675 3.089 . 0 0 "[ . 1 . 2]" 1
1858 1 90 MET QB 1 93 GLU H . . 3.880 2.594 2.279 3.811 . 0 0 "[ . 1 . 2]" 1
1859 1 90 MET HB2 1 91 ALA H . . 4.590 4.051 3.121 4.239 . 0 0 "[ . 1 . 2]" 1
1860 1 90 MET HB2 1 93 GLU H . . 4.460 2.702 2.308 4.223 . 0 0 "[ . 1 . 2]" 1
1861 1 90 MET HB3 1 91 ALA H . . 4.590 3.123 2.728 4.260 . 0 0 "[ . 1 . 2]" 1
1862 1 90 MET HB3 1 93 GLU H . . 4.460 3.447 2.915 4.339 . 0 0 "[ . 1 . 2]" 1
1863 1 90 MET QG 1 93 GLU H . . 4.870 4.374 1.808 4.715 . 0 0 "[ . 1 . 2]" 1
1864 1 91 ALA H 1 91 ALA MB . . 3.550 2.108 2.036 2.247 . 0 0 "[ . 1 . 2]" 1
1865 1 91 ALA HA 1 94 TRP H . . 4.400 3.773 3.466 4.036 . 0 0 "[ . 1 . 2]" 1
1866 1 91 ALA HA 1 94 TRP HB2 . . 3.880 3.260 2.828 3.550 . 0 0 "[ . 1 . 2]" 1
1867 1 91 ALA HA 1 94 TRP HB3 . . 5.160 4.908 4.479 5.167 0.007 9 0 "[ . 1 . 2]" 1
1868 1 91 ALA HA 1 94 TRP HD1 . . 3.270 2.585 2.338 2.784 . 0 0 "[ . 1 . 2]" 1
1869 1 91 ALA HA 1 94 TRP HE1 . . 5.030 4.895 4.613 5.043 0.013 19 0 "[ . 1 . 2]" 1
1870 1 91 ALA MB 1 94 TRP HD1 . . 4.400 4.156 3.953 4.324 . 0 0 "[ . 1 . 2]" 1
1871 1 92 SER H 1 93 GLU H . . 4.600 2.625 2.422 2.914 . 0 0 "[ . 1 . 2]" 1
1872 1 92 SER HA 1 95 LYS H . . 3.680 3.358 3.113 3.654 . 0 0 "[ . 1 . 2]" 1
1873 1 92 SER HA 1 95 LYS HB3 . . 3.500 2.652 2.324 2.836 . 0 0 "[ . 1 . 2]" 1
1874 1 92 SER HA 1 95 LYS HG2 . . 4.390 4.256 3.884 4.401 0.011 2 0 "[ . 1 . 2]" 1
1875 1 92 SER QB 1 93 GLU H . . 4.110 2.831 2.399 3.516 . 0 0 "[ . 1 . 2]" 1
1876 1 92 SER QB 1 95 LYS HB3 . . 4.380 4.213 4.042 4.378 . 0 0 "[ . 1 . 2]" 1
1877 1 93 GLU H 1 93 GLU HB2 . . 2.980 2.318 2.204 2.476 . 0 0 "[ . 1 . 2]" 1
1878 1 93 GLU H 1 93 GLU HB3 . . 3.600 3.554 3.506 3.591 . 0 0 "[ . 1 . 2]" 1
1879 1 93 GLU H 1 93 GLU HG2 . . 4.320 3.555 2.689 4.045 . 0 0 "[ . 1 . 2]" 1
1880 1 93 GLU H 1 93 GLU QG . . 3.600 2.782 2.266 3.527 . 0 0 "[ . 1 . 2]" 1
1881 1 93 GLU H 1 93 GLU HG3 . . 4.320 3.001 2.311 4.134 . 0 0 "[ . 1 . 2]" 1
1882 1 93 GLU H 1 94 TRP H . . 3.090 2.850 2.615 3.062 . 0 0 "[ . 1 . 2]" 1
1883 1 93 GLU H 1 94 TRP HB2 . . 5.090 4.948 4.694 5.070 . 0 0 "[ . 1 . 2]" 1
1884 1 93 GLU H 1 95 LYS H . . 4.430 4.130 3.861 4.304 . 0 0 "[ . 1 . 2]" 1
1885 1 93 GLU HA 1 93 GLU HG2 . . 3.680 2.718 2.206 3.645 . 0 0 "[ . 1 . 2]" 1
1886 1 93 GLU HA 1 93 GLU HG3 . . 3.680 2.926 2.237 3.648 . 0 0 "[ . 1 . 2]" 1
1887 1 93 GLU HA 1 96 CYS H . . 4.100 3.492 3.373 3.636 . 0 0 "[ . 1 . 2]" 1
1888 1 93 GLU HA 1 96 CYS HB2 . . 4.010 3.252 2.941 3.658 . 0 0 "[ . 1 . 2]" 1
1889 1 93 GLU HA 1 96 CYS HB3 . . 4.180 3.015 2.469 3.362 . 0 0 "[ . 1 . 2]" 1
1890 1 93 GLU HA 1 97 THR H . . 4.720 4.083 3.799 4.353 . 0 0 "[ . 1 . 2]" 1
1891 1 93 GLU HB2 1 94 TRP H . . 3.360 2.619 2.233 2.911 . 0 0 "[ . 1 . 2]" 1
1892 1 93 GLU HB3 1 94 TRP H . . 3.800 3.265 2.840 3.757 . 0 0 "[ . 1 . 2]" 1
1893 1 93 GLU QG 1 96 CYS HB2 . . 5.300 4.966 4.624 5.325 0.025 16 0 "[ . 1 . 2]" 1
1894 1 93 GLU QG 1 96 CYS HB3 . . 4.860 4.688 4.372 4.879 0.019 18 0 "[ . 1 . 2]" 1
1895 1 94 TRP H 1 94 TRP HB2 . . 3.180 2.433 2.312 2.521 . 0 0 "[ . 1 . 2]" 1
1896 1 94 TRP H 1 94 TRP HB3 . . 4.130 3.586 3.570 3.594 . 0 0 "[ . 1 . 2]" 1
1897 1 94 TRP H 1 94 TRP HD1 . . 3.900 3.236 3.038 3.523 . 0 0 "[ . 1 . 2]" 1
1898 1 94 TRP H 1 95 LYS H . . 3.470 2.638 2.395 2.890 . 0 0 "[ . 1 . 2]" 1
1899 1 94 TRP HA 1 94 TRP HE3 . . 4.090 2.227 2.092 2.371 . 0 0 "[ . 1 . 2]" 1
1900 1 94 TRP HB2 1 94 TRP HD1 . . 3.670 2.548 2.546 2.552 . 0 0 "[ . 1 . 2]" 1
1901 1 94 TRP HB2 1 95 LYS H . . 3.380 2.734 2.464 3.216 . 0 0 "[ . 1 . 2]" 1
1902 1 94 TRP HB2 1 96 CYS H . . 5.360 5.018 4.746 5.254 . 0 0 "[ . 1 . 2]" 1
1903 1 94 TRP HB3 1 94 TRP HZ3 . . 5.500 5.287 5.220 5.348 . 0 0 "[ . 1 . 2]" 1
1904 1 94 TRP HB3 1 95 LYS H . . 4.390 3.669 3.456 4.056 . 0 0 "[ . 1 . 2]" 1
1905 1 94 TRP HE3 1 97 THR MG . . 4.800 2.901 2.681 3.730 . 0 0 "[ . 1 . 2]" 1
1906 1 94 TRP HZ3 1 97 THR MG . . 4.630 3.743 3.536 3.997 . 0 0 "[ . 1 . 2]" 1
1907 1 95 LYS H 1 95 LYS HB3 . . 2.780 2.567 2.361 2.756 . 0 0 "[ . 1 . 2]" 1
1908 1 95 LYS H 1 95 LYS QD . . 4.560 4.163 3.849 4.500 . 0 0 "[ . 1 . 2]" 1
1909 1 95 LYS H 1 95 LYS QE . . 5.500 5.143 4.415 5.535 0.035 3 0 "[ . 1 . 2]" 1
1910 1 95 LYS H 1 95 LYS HG2 . . 4.730 4.607 4.545 4.637 . 0 0 "[ . 1 . 2]" 1
1911 1 95 LYS H 1 95 LYS HG3 . . 4.560 4.440 4.316 4.512 . 0 0 "[ . 1 . 2]" 1
1912 1 95 LYS H 1 96 CYS H . . 3.460 2.527 2.196 2.736 . 0 0 "[ . 1 . 2]" 1
1913 1 95 LYS H 1 96 CYS HB3 . . 5.500 4.919 4.430 5.296 . 0 0 "[ . 1 . 2]" 1
1914 1 95 LYS H 1 98 LEU HB3 . . 5.120 4.706 4.360 4.915 . 0 0 "[ . 1 . 2]" 1
1915 1 95 LYS HA 1 95 LYS QE . . 4.800 3.616 3.277 4.239 . 0 0 "[ . 1 . 2]" 1
1916 1 95 LYS HA 1 95 LYS HG2 . . 3.980 3.775 3.699 3.877 . 0 0 "[ . 1 . 2]" 1
1917 1 95 LYS HA 1 95 LYS HG3 . . 3.860 2.859 2.710 3.080 . 0 0 "[ . 1 . 2]" 1
1918 1 95 LYS HA 1 98 LEU H . . 3.800 3.591 3.429 3.717 . 0 0 "[ . 1 . 2]" 1
1919 1 95 LYS HA 1 98 LEU HB2 . . 4.260 3.213 3.057 3.678 . 0 0 "[ . 1 . 2]" 1
1920 1 95 LYS HA 1 98 LEU HB3 . . 3.770 2.325 2.123 2.655 . 0 0 "[ . 1 . 2]" 1
1921 1 95 LYS HA 1 98 LEU MD1 . . 5.120 4.632 4.502 5.085 . 0 0 "[ . 1 . 2]" 1
1922 1 95 LYS HA 1 98 LEU MD2 . . 4.160 2.562 2.191 3.145 . 0 0 "[ . 1 . 2]" 1
1923 1 95 LYS HA 1 99 GLU H . . 4.530 4.249 3.945 4.511 . 0 0 "[ . 1 . 2]" 1
1924 1 95 LYS HA 1 99 GLU QG . . 5.080 4.597 4.074 4.945 . 0 0 "[ . 1 . 2]" 1
1925 1 95 LYS HB3 1 95 LYS QE . . 4.270 3.873 3.287 4.289 0.019 5 0 "[ . 1 . 2]" 1
1926 1 95 LYS HB3 1 96 CYS H . . 3.040 2.770 2.397 3.016 . 0 0 "[ . 1 . 2]" 1
1927 1 95 LYS HB3 1 96 CYS HA . . 4.430 4.208 4.018 4.433 0.003 19 0 "[ . 1 . 2]" 1
1928 1 95 LYS QD 1 96 CYS H . . 4.990 4.933 4.777 5.001 0.011 14 0 "[ . 1 . 2]" 1
1929 1 95 LYS QD 1 98 LEU HB2 . . 5.310 4.500 4.247 4.940 . 0 0 "[ . 1 . 2]" 1
1930 1 95 LYS QD 1 98 LEU MD2 . . 4.360 2.386 1.924 3.114 . 0 0 "[ . 1 . 2]" 1
1931 1 95 LYS QE 1 95 LYS HG2 . . 3.430 2.592 2.099 3.025 . 0 0 "[ . 1 . 2]" 1
1932 1 95 LYS QE 1 95 LYS HG3 . . 3.510 2.772 2.070 3.488 . 0 0 "[ . 1 . 2]" 1
1933 1 95 LYS HG3 1 96 CYS H . . 4.210 4.065 3.768 4.212 0.002 16 0 "[ . 1 . 2]" 1
1934 1 95 LYS HG3 1 98 LEU HB3 . . 4.900 4.039 3.755 4.388 . 0 0 "[ . 1 . 2]" 1
1935 1 95 LYS HG3 1 99 GLU QG . . 4.190 3.336 2.796 3.839 . 0 0 "[ . 1 . 2]" 1
1936 1 96 CYS H 1 96 CYS HB2 . . 3.040 2.423 2.230 2.629 . 0 0 "[ . 1 . 2]" 1
1937 1 96 CYS H 1 96 CYS HB3 . . 3.210 2.656 2.446 2.878 . 0 0 "[ . 1 . 2]" 1
1938 1 96 CYS H 1 97 THR H . . 3.190 2.883 2.691 3.056 . 0 0 "[ . 1 . 2]" 1
1939 1 96 CYS H 1 98 LEU H . . 4.410 3.732 3.629 4.007 . 0 0 "[ . 1 . 2]" 1
1940 1 96 CYS HA 1 99 GLU H . . 3.870 3.754 3.625 3.872 0.002 15 0 "[ . 1 . 2]" 1
1941 1 96 CYS HA 1 99 GLU HB2 . . 3.660 3.423 3.134 3.660 0.000 9 0 "[ . 1 . 2]" 1
1942 1 96 CYS HA 1 99 GLU QG . . 4.580 4.415 4.048 4.583 0.003 16 0 "[ . 1 . 2]" 1
1943 1 96 CYS HA 1 100 LYS H . . 4.800 4.410 4.157 4.786 . 0 0 "[ . 1 . 2]" 1
1944 1 96 CYS HB2 1 97 THR H . . 3.680 3.519 3.321 3.674 . 0 0 "[ . 1 . 2]" 1
1945 1 96 CYS HB3 1 97 THR H . . 3.310 2.116 1.953 2.472 . 0 0 "[ . 1 . 2]" 1
1946 1 96 CYS HB3 1 97 THR HA . . 4.590 4.114 3.888 4.342 . 0 0 "[ . 1 . 2]" 1
1947 1 97 THR H 1 97 THR HB . . 3.170 2.463 2.396 2.564 . 0 0 "[ . 1 . 2]" 1
1948 1 97 THR H 1 97 THR MG . . 3.830 2.471 2.230 3.745 . 0 0 "[ . 1 . 2]" 1
1949 1 97 THR H 1 98 LEU H . . 3.420 2.651 2.586 2.712 . 0 0 "[ . 1 . 2]" 1
1950 1 97 THR H 1 98 LEU HB2 . . 5.500 5.114 5.017 5.322 . 0 0 "[ . 1 . 2]" 1
1951 1 97 THR H 1 98 LEU HB3 . . 4.910 4.747 4.601 4.826 . 0 0 "[ . 1 . 2]" 1
1952 1 97 THR H 1 100 LYS QB . . 5.500 5.111 4.877 5.314 . 0 0 "[ . 1 . 2]" 1
1953 1 97 THR HA 1 97 THR MG . . 3.250 3.154 2.481 3.201 . 0 0 "[ . 1 . 2]" 1
1954 1 97 THR HA 1 99 GLU H . . 4.520 4.343 4.079 4.522 0.002 1 0 "[ . 1 . 2]" 1
1955 1 97 THR HA 1 100 LYS H . . 4.030 3.844 3.516 4.025 . 0 0 "[ . 1 . 2]" 1
1956 1 97 THR HA 1 100 LYS QB . . 3.420 2.741 2.506 2.941 . 0 0 "[ . 1 . 2]" 1
1957 1 97 THR HA 1 100 LYS QD . . 4.540 3.654 2.628 4.546 0.006 9 0 "[ . 1 . 2]" 1
1958 1 97 THR HA 1 101 SER H . . 4.670 3.782 3.535 4.260 . 0 0 "[ . 1 . 2]" 1
1959 1 97 THR HB 1 98 LEU H . . 4.010 3.971 2.824 4.047 0.037 12 0 "[ . 1 . 2]" 1
1960 1 97 THR MG 1 98 LEU H . . 3.720 2.174 1.916 3.380 . 0 0 "[ . 1 . 2]" 1
1961 1 97 THR MG 1 98 LEU HA . . 3.940 3.104 3.035 3.277 . 0 0 "[ . 1 . 2]" 1
1962 1 97 THR MG 1 98 LEU MD1 . . 5.500 4.281 4.151 4.799 . 0 0 "[ . 1 . 2]" 1
1963 1 97 THR MG 1 101 SER H . . 5.290 4.906 3.922 5.196 . 0 0 "[ . 1 . 2]" 1
1964 1 97 THR MG 1 101 SER QB . . 5.150 4.482 3.893 4.964 . 0 0 "[ . 1 . 2]" 1
1965 1 98 LEU H 1 98 LEU HB2 . . 3.230 2.686 2.602 2.805 . 0 0 "[ . 1 . 2]" 1
1966 1 98 LEU H 1 98 LEU HB3 . . 3.190 2.343 2.237 2.413 . 0 0 "[ . 1 . 2]" 1
1967 1 98 LEU H 1 98 LEU MD1 . . 4.340 4.181 4.129 4.226 . 0 0 "[ . 1 . 2]" 1
1968 1 98 LEU H 1 98 LEU MD2 . . 4.340 4.183 4.136 4.221 . 0 0 "[ . 1 . 2]" 1
1969 1 98 LEU H 1 99 GLU H . . 3.450 2.677 2.596 2.782 . 0 0 "[ . 1 . 2]" 1
1970 1 98 LEU HA 1 98 LEU MD1 . . 3.040 2.175 1.998 2.395 . 0 0 "[ . 1 . 2]" 1
1971 1 98 LEU HA 1 98 LEU MD2 . . 3.950 3.924 3.886 3.951 0.001 17 0 "[ . 1 . 2]" 1
1972 1 98 LEU HA 1 98 LEU HG . . 3.880 3.290 3.235 3.448 . 0 0 "[ . 1 . 2]" 1
1973 1 98 LEU HA 1 102 LEU MD1 . . 4.780 4.610 4.371 4.778 . 0 0 "[ . 1 . 2]" 1
1974 1 98 LEU HB2 1 98 LEU MD1 . . 3.100 2.355 2.281 2.407 . 0 0 "[ . 1 . 2]" 1
1975 1 98 LEU HB2 1 98 LEU MD2 . . 3.360 2.365 2.273 2.473 . 0 0 "[ . 1 . 2]" 1
1976 1 98 LEU HB2 1 99 GLU H . . 4.150 3.946 3.853 4.051 . 0 0 "[ . 1 . 2]" 1
1977 1 98 LEU HB3 1 98 LEU MD1 . . 3.420 3.192 3.181 3.196 . 0 0 "[ . 1 . 2]" 1
1978 1 98 LEU HB3 1 98 LEU MD2 . . 3.240 2.298 2.189 2.401 . 0 0 "[ . 1 . 2]" 1
1979 1 98 LEU HB3 1 99 GLU H . . 3.170 2.598 2.471 2.759 . 0 0 "[ . 1 . 2]" 1
1980 1 98 LEU MD1 1 99 GLU H . . 4.360 4.309 4.068 4.363 0.003 18 0 "[ . 1 . 2]" 1
1981 1 98 LEU MD1 1 99 GLU HA . . 4.510 4.363 3.840 4.507 . 0 0 "[ . 1 . 2]" 1
1982 1 98 LEU MD1 1 101 SER H . . 5.500 5.183 4.817 5.435 . 0 0 "[ . 1 . 2]" 1
1983 1 98 LEU MD1 1 101 SER QB . . 4.500 3.854 3.327 4.497 . 0 0 "[ . 1 . 2]" 1
1984 1 98 LEU MD1 1 102 LEU H . . 4.940 4.297 3.607 4.690 . 0 0 "[ . 1 . 2]" 1
1985 1 98 LEU MD2 1 99 GLU H . . 4.220 4.166 4.060 4.226 0.006 11 0 "[ . 1 . 2]" 1
1986 1 98 LEU MD2 1 99 GLU HA . . 4.740 4.670 4.576 4.749 0.009 16 0 "[ . 1 . 2]" 1
1987 1 98 LEU HG 1 99 GLU H . . 3.970 3.445 3.145 3.511 . 0 0 "[ . 1 . 2]" 1
1988 1 98 LEU HG 1 99 GLU HA . . 4.230 3.417 3.197 3.509 . 0 0 "[ . 1 . 2]" 1
1989 1 98 LEU HG 1 99 GLU QG . . 4.790 3.693 3.475 3.947 . 0 0 "[ . 1 . 2]" 1
1990 1 98 LEU HG 1 102 LEU H . . 5.500 5.026 4.721 5.346 . 0 0 "[ . 1 . 2]" 1
1991 1 99 GLU H 1 99 GLU HB2 . . 3.100 2.194 2.179 2.212 . 0 0 "[ . 1 . 2]" 1
1992 1 99 GLU H 1 99 GLU HB3 . . 3.520 3.497 3.484 3.510 . 0 0 "[ . 1 . 2]" 1
1993 1 99 GLU H 1 99 GLU HG2 . . 4.110 3.717 2.920 4.000 . 0 0 "[ . 1 . 2]" 1
1994 1 99 GLU H 1 99 GLU QG . . 3.250 2.860 2.770 2.945 . 0 0 "[ . 1 . 2]" 1
1995 1 99 GLU H 1 99 GLU HG3 . . 4.110 3.106 2.830 4.110 . 0 0 "[ . 1 . 2]" 1
1996 1 99 GLU H 1 100 LYS H . . 3.190 2.843 2.706 3.049 . 0 0 "[ . 1 . 2]" 1
1997 1 99 GLU H 1 102 LEU MD1 . . 4.560 4.097 3.824 4.293 . 0 0 "[ . 1 . 2]" 1
1998 1 99 GLU HA 1 99 GLU HG2 . . 3.820 2.361 2.173 2.937 . 0 0 "[ . 1 . 2]" 1
1999 1 99 GLU HA 1 99 GLU QG . . 3.180 2.277 2.132 2.812 . 0 0 "[ . 1 . 2]" 1
2000 1 99 GLU HA 1 99 GLU HG3 . . 3.820 3.036 2.729 3.628 . 0 0 "[ . 1 . 2]" 1
2001 1 99 GLU HA 1 102 LEU QB . . 3.670 3.002 2.666 3.276 . 0 0 "[ . 1 . 2]" 1
2002 1 99 GLU HA 1 102 LEU MD1 . . 3.480 2.061 1.965 2.233 . 0 0 "[ . 1 . 2]" 1
2003 1 99 GLU HB2 1 100 LYS H . . 3.640 2.406 2.342 2.539 . 0 0 "[ . 1 . 2]" 1
2004 1 99 GLU HB3 1 100 LYS H . . 3.830 2.752 2.598 2.921 . 0 0 "[ . 1 . 2]" 1
2005 1 99 GLU QG 1 102 LEU MD1 . . 4.120 2.929 2.462 3.581 . 0 0 "[ . 1 . 2]" 1
2006 1 99 GLU QG 1 103 ILE MD . . 4.180 4.099 3.683 4.181 0.001 12 0 "[ . 1 . 2]" 1
2007 1 99 GLU HG2 1 100 LYS H . . 4.790 4.718 4.543 4.809 0.019 9 0 "[ . 1 . 2]" 1
2008 1 99 GLU HG3 1 100 LYS H . . 4.790 4.574 4.520 4.687 . 0 0 "[ . 1 . 2]" 1
2009 1 100 LYS H 1 100 LYS QB . . 2.820 2.439 2.263 2.628 . 0 0 "[ . 1 . 2]" 1
2010 1 100 LYS H 1 100 LYS HG2 . . 4.080 3.321 1.899 4.065 . 0 0 "[ . 1 . 2]" 1
2011 1 100 LYS H 1 100 LYS HG3 . . 4.080 2.602 1.989 3.686 . 0 0 "[ . 1 . 2]" 1
2012 1 100 LYS H 1 101 SER H . . 3.160 3.016 2.909 3.148 . 0 0 "[ . 1 . 2]" 1
2013 1 100 LYS H 1 103 ILE MD . . 4.780 3.582 3.447 3.688 . 0 0 "[ . 1 . 2]" 1
2014 1 100 LYS HA 1 100 LYS QE . . 4.350 3.943 3.403 4.347 . 0 0 "[ . 1 . 2]" 1
2015 1 100 LYS HA 1 100 LYS HG2 . . 3.910 2.598 2.194 3.594 . 0 0 "[ . 1 . 2]" 1
2016 1 100 LYS HA 1 100 LYS QG . . 3.400 2.328 2.154 2.725 . 0 0 "[ . 1 . 2]" 1
2017 1 100 LYS HA 1 100 LYS HG3 . . 3.910 3.016 2.230 3.818 . 0 0 "[ . 1 . 2]" 1
2018 1 100 LYS HA 1 103 ILE H . . 3.850 3.750 3.502 3.852 0.002 15 0 "[ . 1 . 2]" 1
2019 1 100 LYS HA 1 103 ILE HB . . 3.720 3.365 3.101 3.557 . 0 0 "[ . 1 . 2]" 1
2020 1 100 LYS HA 1 103 ILE MD . . 3.350 2.095 1.987 2.294 . 0 0 "[ . 1 . 2]" 1
2021 1 100 LYS HA 1 103 ILE HG12 . . 4.720 4.318 4.151 4.508 . 0 0 "[ . 1 . 2]" 1
2022 1 100 LYS HA 1 103 ILE MG . . 4.830 4.591 4.403 4.741 . 0 0 "[ . 1 . 2]" 1
2023 1 100 LYS QB 1 100 LYS QE . . 4.170 2.713 2.006 3.739 . 0 0 "[ . 1 . 2]" 1
2024 1 100 LYS QB 1 101 SER H . . 3.160 2.473 2.376 2.633 . 0 0 "[ . 1 . 2]" 1
2025 1 100 LYS QB 1 101 SER HA . . 4.430 3.802 3.718 3.885 . 0 0 "[ . 1 . 2]" 1
2026 1 100 LYS QB 1 101 SER QB . . 4.380 4.234 3.880 4.392 0.012 6 0 "[ . 1 . 2]" 1
2027 1 100 LYS QE 1 100 LYS QG . . 3.330 2.205 2.037 2.524 . 0 0 "[ . 1 . 2]" 1
2028 1 100 LYS QG 1 101 SER H . . 4.500 4.149 3.865 4.484 . 0 0 "[ . 1 . 2]" 1
2029 1 100 LYS HG2 1 101 SER H . . 5.210 4.875 4.231 5.075 . 0 0 "[ . 1 . 2]" 1
2030 1 100 LYS HG3 1 101 SER H . . 5.210 4.512 4.113 4.993 . 0 0 "[ . 1 . 2]" 1
2031 1 101 SER H 1 101 SER HB2 . . 3.610 2.692 2.187 3.599 . 0 0 "[ . 1 . 2]" 1
2032 1 101 SER H 1 101 SER QB . . 2.990 2.377 2.166 2.543 . 0 0 "[ . 1 . 2]" 1
2033 1 101 SER H 1 101 SER HB3 . . 3.610 3.267 2.452 3.599 . 0 0 "[ . 1 . 2]" 1
2034 1 101 SER H 1 102 LEU MD1 . . 5.500 5.127 4.984 5.319 . 0 0 "[ . 1 . 2]" 1
2035 1 101 SER H 1 102 LEU HG . . 4.850 4.763 4.549 4.853 0.003 19 0 "[ . 1 . 2]" 1
2036 1 101 SER H 1 103 ILE H . . 4.840 4.397 4.219 4.596 . 0 0 "[ . 1 . 2]" 1
2037 1 101 SER H 1 103 ILE MD . . 4.200 4.051 3.841 4.196 . 0 0 "[ . 1 . 2]" 1
2038 1 101 SER HA 1 103 ILE H . . 4.680 4.383 4.199 4.681 0.001 10 0 "[ . 1 . 2]" 1
2039 1 101 SER HA 1 104 ASP HB2 . . 3.600 2.464 2.293 2.624 . 0 0 "[ . 1 . 2]" 1
2040 1 101 SER HA 1 104 ASP HB3 . . 4.270 4.051 3.849 4.203 . 0 0 "[ . 1 . 2]" 1
2041 1 101 SER QB 1 102 LEU H . . 3.370 2.552 2.154 3.373 0.003 16 0 "[ . 1 . 2]" 1
2042 1 101 SER QB 1 102 LEU HG . . 5.210 3.771 3.378 4.479 . 0 0 "[ . 1 . 2]" 1
2043 1 101 SER HB2 1 102 LEU H . . 3.930 2.734 2.227 3.737 . 0 0 "[ . 1 . 2]" 1
2044 1 101 SER HB3 1 102 LEU H . . 3.930 3.310 2.176 3.877 . 0 0 "[ . 1 . 2]" 1
2045 1 102 LEU H 1 102 LEU HB2 . . 3.780 2.522 2.425 2.623 . 0 0 "[ . 1 . 2]" 1
2046 1 102 LEU H 1 102 LEU QB . . 3.120 2.475 2.388 2.565 . 0 0 "[ . 1 . 2]" 1
2047 1 102 LEU H 1 102 LEU HB3 . . 3.780 3.601 3.579 3.620 . 0 0 "[ . 1 . 2]" 1
2048 1 102 LEU H 1 102 LEU MD1 . . 3.690 3.407 3.305 3.519 . 0 0 "[ . 1 . 2]" 1
2049 1 102 LEU H 1 102 LEU MD2 . . 3.620 3.565 3.392 3.624 0.004 12 0 "[ . 1 . 2]" 1
2050 1 102 LEU H 1 102 LEU HG . . 3.170 2.240 2.092 2.402 . 0 0 "[ . 1 . 2]" 1
2051 1 102 LEU H 1 103 ILE H . . 3.490 2.998 2.806 3.126 . 0 0 "[ . 1 . 2]" 1
2052 1 102 LEU H 1 103 ILE HB . . 5.380 5.195 4.978 5.285 . 0 0 "[ . 1 . 2]" 1
2053 1 102 LEU H 1 105 ALA MB . . 5.500 4.858 4.647 4.962 . 0 0 "[ . 1 . 2]" 1
2054 1 102 LEU HA 1 102 LEU MD2 . . 3.110 2.170 2.009 2.396 . 0 0 "[ . 1 . 2]" 1
2055 1 102 LEU HA 1 102 LEU HG . . 3.740 2.847 2.793 2.935 . 0 0 "[ . 1 . 2]" 1
2056 1 102 LEU HA 1 105 ALA H . . 4.070 3.725 3.589 3.872 . 0 0 "[ . 1 . 2]" 1
2057 1 102 LEU HA 1 105 ALA MB . . 3.190 2.927 2.796 3.009 . 0 0 "[ . 1 . 2]" 1
2058 1 102 LEU QB 1 102 LEU MD1 . . 2.880 2.006 1.960 2.069 . 0 0 "[ . 1 . 2]" 1
2059 1 102 LEU QB 1 102 LEU MD2 . . 3.000 2.223 2.081 2.276 . 0 0 "[ . 1 . 2]" 1
2060 1 102 LEU QB 1 103 ILE H . . 3.430 2.418 2.256 2.546 . 0 0 "[ . 1 . 2]" 1
2061 1 102 LEU HB2 1 102 LEU MD1 . . 3.430 2.107 2.023 2.239 . 0 0 "[ . 1 . 2]" 1
2062 1 102 LEU HB2 1 102 LEU MD2 . . 3.640 3.169 3.156 3.187 . 0 0 "[ . 1 . 2]" 1
2063 1 102 LEU HB2 1 103 ILE H . . 4.010 2.476 2.310 2.612 . 0 0 "[ . 1 . 2]" 1
2064 1 102 LEU HB3 1 102 LEU MD1 . . 3.430 2.533 2.435 2.626 . 0 0 "[ . 1 . 2]" 1
2065 1 102 LEU HB3 1 102 LEU MD2 . . 3.640 2.271 2.111 2.331 . 0 0 "[ . 1 . 2]" 1
2066 1 102 LEU HB3 1 103 ILE H . . 4.010 3.400 3.166 3.537 . 0 0 "[ . 1 . 2]" 1
2067 1 102 LEU MD2 1 103 ILE H . . 4.730 4.704 4.620 4.743 0.013 16 0 "[ . 1 . 2]" 1
2068 1 102 LEU MD2 1 105 ALA MB . . 4.060 3.894 3.729 4.059 . 0 0 "[ . 1 . 2]" 1
2069 1 103 ILE H 1 103 ILE HB . . 2.970 2.531 2.450 2.630 . 0 0 "[ . 1 . 2]" 1
2070 1 103 ILE H 1 103 ILE MD . . 3.490 1.859 1.817 1.888 . 0 0 "[ . 1 . 2]" 1
2071 1 103 ILE H 1 103 ILE HG12 . . 4.030 3.806 3.692 3.918 . 0 0 "[ . 1 . 2]" 1
2072 1 103 ILE H 1 103 ILE HG13 . . 3.210 2.918 2.736 3.073 . 0 0 "[ . 1 . 2]" 1
2073 1 103 ILE H 1 103 ILE MG . . 3.870 3.761 3.751 3.766 . 0 0 "[ . 1 . 2]" 1
2074 1 103 ILE H 1 104 ASP H . . 3.010 2.756 2.629 2.940 . 0 0 "[ . 1 . 2]" 1
2075 1 103 ILE H 1 104 ASP HB2 . . 4.980 4.630 4.552 4.804 . 0 0 "[ . 1 . 2]" 1
2076 1 103 ILE H 1 105 ALA H . . 4.450 4.147 4.013 4.291 . 0 0 "[ . 1 . 2]" 1
2077 1 103 ILE H 1 105 ALA MB . . 4.830 4.741 4.581 4.832 0.002 16 0 "[ . 1 . 2]" 1
2078 1 103 ILE HA 1 103 ILE MD . . 3.510 3.371 3.295 3.404 . 0 0 "[ . 1 . 2]" 1
2079 1 103 ILE HA 1 103 ILE HG12 . . 3.530 3.505 3.467 3.533 0.003 13 0 "[ . 1 . 2]" 1
2080 1 103 ILE HA 1 103 ILE HG13 . . 3.430 2.323 2.266 2.371 . 0 0 "[ . 1 . 2]" 1
2081 1 103 ILE HA 1 103 ILE MG . . 3.090 2.411 2.314 2.467 . 0 0 "[ . 1 . 2]" 1
2082 1 103 ILE HA 1 105 ALA H . . 4.810 4.170 3.919 4.423 . 0 0 "[ . 1 . 2]" 1
2083 1 103 ILE HA 1 105 ALA MB . . 4.780 4.511 4.377 4.690 . 0 0 "[ . 1 . 2]" 1
2084 1 103 ILE HA 1 106 ALA H . . 4.180 3.444 3.314 3.594 . 0 0 "[ . 1 . 2]" 1
2085 1 103 ILE HA 1 106 ALA MB . . 3.400 2.959 2.763 3.195 . 0 0 "[ . 1 . 2]" 1
2086 1 103 ILE HB 1 103 ILE MD . . 3.040 2.111 2.092 2.134 . 0 0 "[ . 1 . 2]" 1
2087 1 103 ILE HB 1 104 ASP H . . 3.470 2.439 2.322 2.687 . 0 0 "[ . 1 . 2]" 1
2088 1 103 ILE HG13 1 103 ILE MG . . 3.270 2.657 2.611 2.706 . 0 0 "[ . 1 . 2]" 1
2089 1 103 ILE MG 1 104 ASP H . . 3.670 3.321 3.182 3.477 . 0 0 "[ . 1 . 2]" 1
2090 1 103 ILE MG 1 104 ASP HA . . 3.840 3.477 3.365 3.616 . 0 0 "[ . 1 . 2]" 1
2091 1 103 ILE MG 1 106 ALA H . . 4.520 4.090 3.946 4.256 . 0 0 "[ . 1 . 2]" 1
2092 1 103 ILE MG 1 106 ALA MB . . 4.240 3.390 3.166 3.642 . 0 0 "[ . 1 . 2]" 1
2093 1 103 ILE MG 1 107 LYS QE . . 3.590 1.922 1.758 2.538 . 0 0 "[ . 1 . 2]" 1
2094 1 103 ILE MG 1 107 LYS HG3 . . 3.860 2.865 2.533 3.101 . 0 0 "[ . 1 . 2]" 1
2095 1 104 ASP H 1 104 ASP HB2 . . 3.380 2.310 2.227 2.364 . 0 0 "[ . 1 . 2]" 1
2096 1 104 ASP H 1 104 ASP HB3 . . 3.720 3.558 3.520 3.576 . 0 0 "[ . 1 . 2]" 1
2097 1 104 ASP H 1 105 ALA H . . 3.520 2.820 2.638 2.913 . 0 0 "[ . 1 . 2]" 1
2098 1 104 ASP H 1 106 ALA H . . 4.600 4.322 4.231 4.417 . 0 0 "[ . 1 . 2]" 1
2099 1 104 ASP HA 1 106 ALA H . . 4.520 4.155 4.015 4.272 . 0 0 "[ . 1 . 2]" 1
2100 1 104 ASP HA 1 107 LYS H . . 3.910 3.316 3.183 3.438 . 0 0 "[ . 1 . 2]" 1
2101 1 104 ASP HA 1 107 LYS HB2 . . 3.860 2.495 2.164 2.749 . 0 0 "[ . 1 . 2]" 1
2102 1 104 ASP HA 1 107 LYS HB3 . . 4.850 4.105 3.742 4.389 . 0 0 "[ . 1 . 2]" 1
2103 1 104 ASP HA 1 107 LYS QD . . 4.150 3.521 2.929 3.938 . 0 0 "[ . 1 . 2]" 1
2104 1 104 ASP HA 1 107 LYS QE . . 4.170 2.506 1.969 3.347 . 0 0 "[ . 1 . 2]" 1
2105 1 104 ASP HA 1 107 LYS HG2 . . 5.500 4.715 4.247 4.961 . 0 0 "[ . 1 . 2]" 1
2106 1 104 ASP HA 1 107 LYS HG3 . . 4.000 3.299 2.645 3.651 . 0 0 "[ . 1 . 2]" 1
2107 1 104 ASP HA 1 108 PHE QD . . 4.450 3.488 3.269 3.785 . 0 0 "[ . 1 . 2]" 1
2108 1 104 ASP HA 1 108 PHE QE . . 4.930 4.499 4.167 4.668 . 0 0 "[ . 1 . 2]" 1
2109 1 104 ASP HB2 1 105 ALA H . . 3.580 2.820 2.650 3.085 . 0 0 "[ . 1 . 2]" 1
2110 1 104 ASP HB2 1 105 ALA HA . . 4.710 4.580 4.476 4.703 . 0 0 "[ . 1 . 2]" 1
2111 1 104 ASP HB2 1 105 ALA MB . . 4.410 4.277 4.142 4.388 . 0 0 "[ . 1 . 2]" 1
2112 1 104 ASP HB3 1 105 ALA H . . 3.990 3.452 3.251 3.645 . 0 0 "[ . 1 . 2]" 1
2113 1 104 ASP HB3 1 105 ALA MB . . 4.730 4.666 4.484 4.729 . 0 0 "[ . 1 . 2]" 1
2114 1 104 ASP HB3 1 108 PHE QD . . 4.740 3.716 3.435 3.920 . 0 0 "[ . 1 . 2]" 1
2115 1 104 ASP HB3 1 108 PHE QE . . 5.400 5.088 4.735 5.255 . 0 0 "[ . 1 . 2]" 1
2116 1 105 ALA H 1 105 ALA MB . . 2.910 2.122 2.024 2.232 . 0 0 "[ . 1 . 2]" 1
2117 1 105 ALA H 1 106 ALA H . . 3.430 2.739 2.566 2.827 . 0 0 "[ . 1 . 2]" 1
2118 1 105 ALA H 1 106 ALA MB . . 4.450 4.347 4.187 4.443 . 0 0 "[ . 1 . 2]" 1
2119 1 105 ALA H 1 107 LYS H . . 4.760 3.926 3.825 3.988 . 0 0 "[ . 1 . 2]" 1
2120 1 105 ALA H 1 108 PHE H . . 5.500 4.697 4.643 4.859 . 0 0 "[ . 1 . 2]" 1
2121 1 105 ALA HA 1 107 LYS H . . 4.710 3.781 3.651 3.884 . 0 0 "[ . 1 . 2]" 1
2122 1 105 ALA HA 1 108 PHE H . . 3.870 3.328 3.238 3.423 . 0 0 "[ . 1 . 2]" 1
2123 1 105 ALA MB 1 106 ALA H . . 3.390 2.688 2.545 2.795 . 0 0 "[ . 1 . 2]" 1
2124 1 105 ALA MB 1 107 LYS H . . 4.950 4.219 4.158 4.301 . 0 0 "[ . 1 . 2]" 1
2125 1 105 ALA MB 1 108 PHE H . . 5.380 4.541 4.465 4.650 . 0 0 "[ . 1 . 2]" 1
2126 1 106 ALA H 1 106 ALA MB . . 2.780 2.059 2.045 2.067 . 0 0 "[ . 1 . 2]" 1
2127 1 106 ALA H 1 107 LYS H . . 3.160 2.497 2.454 2.551 . 0 0 "[ . 1 . 2]" 1
2128 1 106 ALA H 1 107 LYS HA . . 5.160 5.096 5.071 5.141 . 0 0 "[ . 1 . 2]" 1
2129 1 106 ALA H 1 107 LYS HB2 . . 4.720 4.562 4.391 4.722 0.002 13 0 "[ . 1 . 2]" 1
2130 1 106 ALA HA 1 109 PRO QB . . 4.610 3.066 2.893 3.178 . 0 0 "[ . 1 . 2]" 1
2131 1 106 ALA HA 1 109 PRO QD . . 4.370 3.002 2.930 3.084 . 0 0 "[ . 1 . 2]" 1
2132 1 106 ALA HA 1 109 PRO QG . . 4.100 2.875 2.648 3.067 . 0 0 "[ . 1 . 2]" 1
2133 1 106 ALA MB 1 107 LYS H . . 3.310 3.177 3.076 3.276 . 0 0 "[ . 1 . 2]" 1
2134 1 106 ALA MB 1 107 LYS HA . . 4.120 3.961 3.910 4.015 . 0 0 "[ . 1 . 2]" 1
2135 1 107 LYS H 1 107 LYS HB2 . . 3.080 2.416 2.284 2.528 . 0 0 "[ . 1 . 2]" 1
2136 1 107 LYS H 1 107 LYS HB3 . . 3.980 3.628 3.547 3.684 . 0 0 "[ . 1 . 2]" 1
2137 1 107 LYS H 1 107 LYS QD . . 4.640 4.458 4.164 4.645 0.005 19 0 "[ . 1 . 2]" 1
2138 1 107 LYS H 1 107 LYS QE . . 4.430 4.143 3.843 4.436 0.006 16 0 "[ . 1 . 2]" 1
2139 1 107 LYS H 1 107 LYS HG2 . . 4.210 3.857 3.468 4.103 . 0 0 "[ . 1 . 2]" 1
2140 1 107 LYS H 1 107 LYS HG3 . . 3.180 2.897 2.614 3.155 . 0 0 "[ . 1 . 2]" 1
2141 1 107 LYS HA 1 107 LYS QD . . 4.080 3.913 3.831 3.949 . 0 0 "[ . 1 . 2]" 1
2142 1 107 LYS HA 1 107 LYS HG2 . . 3.480 2.430 2.334 2.509 . 0 0 "[ . 1 . 2]" 1
2143 1 107 LYS HA 1 107 LYS HG3 . . 3.660 3.081 2.909 3.305 . 0 0 "[ . 1 . 2]" 1
2144 1 107 LYS HA 1 109 PRO HD2 . . 4.820 3.711 3.660 3.753 . 0 0 "[ . 1 . 2]" 1
2145 1 107 LYS HA 1 109 PRO QD . . 4.210 3.111 3.063 3.148 . 0 0 "[ . 1 . 2]" 1
2146 1 107 LYS HA 1 109 PRO HD3 . . 4.820 3.340 3.286 3.381 . 0 0 "[ . 1 . 2]" 1
2147 1 107 LYS HB2 1 107 LYS QE . . 4.470 2.967 2.298 3.638 . 0 0 "[ . 1 . 2]" 1
2148 1 107 LYS HB2 1 108 PHE QD . . 3.900 2.256 1.999 2.587 . 0 0 "[ . 1 . 2]" 1
2149 1 107 LYS HB3 1 107 LYS QE . . 4.490 3.610 3.154 4.080 . 0 0 "[ . 1 . 2]" 1
2150 1 107 LYS HB3 1 108 PHE H . . 4.080 3.770 3.627 3.992 . 0 0 "[ . 1 . 2]" 1
2151 1 107 LYS HB3 1 108 PHE QD . . 4.060 2.781 2.482 3.029 . 0 0 "[ . 1 . 2]" 1
2152 1 107 LYS HB3 1 108 PHE QE . . 4.360 2.847 2.655 2.924 . 0 0 "[ . 1 . 2]" 1
2153 1 107 LYS QD 1 108 PHE QE . . 4.010 3.067 2.934 3.205 . 0 0 "[ . 1 . 2]" 1
2154 1 107 LYS QD 1 108 PHE HZ . . 5.110 5.008 4.894 5.106 . 0 0 "[ . 1 . 2]" 1
2155 1 107 LYS QE 1 107 LYS HG2 . . 3.630 3.040 2.654 3.386 . 0 0 "[ . 1 . 2]" 1
2156 1 107 LYS QE 1 107 LYS HG3 . . 3.340 2.175 2.088 2.310 . 0 0 "[ . 1 . 2]" 1
2157 1 107 LYS QE 1 108 PHE QD . . 5.340 4.466 3.723 5.201 . 0 0 "[ . 1 . 2]" 1
2158 1 107 LYS QE 1 108 PHE QE . . 4.850 4.318 3.526 4.852 0.002 13 0 "[ . 1 . 2]" 1
2159 1 107 LYS HG2 1 108 PHE H . . 5.500 5.060 4.902 5.144 . 0 0 "[ . 1 . 2]" 1
2160 1 107 LYS HG2 1 108 PHE QE . . 5.030 5.001 4.801 5.038 0.008 18 0 "[ . 1 . 2]" 1
2161 1 108 PHE H 1 108 PHE HB2 . . 3.790 2.672 2.639 2.723 . 0 0 "[ . 1 . 2]" 1
2162 1 108 PHE H 1 108 PHE HB3 . . 3.870 3.797 3.779 3.828 . 0 0 "[ . 1 . 2]" 1
2163 1 108 PHE H 1 109 PRO HD2 . . 4.170 3.171 3.126 3.233 . 0 0 "[ . 1 . 2]" 1
2164 1 108 PHE H 1 109 PRO QD . . 3.460 2.186 2.133 2.265 . 0 0 "[ . 1 . 2]" 1
2165 1 108 PHE H 1 109 PRO HD3 . . 4.170 2.228 2.171 2.314 . 0 0 "[ . 1 . 2]" 1
2166 1 108 PHE H 1 109 PRO QG . . 4.310 4.207 4.156 4.283 . 0 0 "[ . 1 . 2]" 1
2167 1 108 PHE HA 1 108 PHE QD . . 3.500 3.100 3.046 3.150 . 0 0 "[ . 1 . 2]" 1
2168 1 108 PHE HA 1 108 PHE QE . . 4.920 4.676 4.630 4.711 . 0 0 "[ . 1 . 2]" 1
2169 1 108 PHE HA 1 109 PRO HD2 . . 3.820 2.473 2.465 2.476 . 0 0 "[ . 1 . 2]" 1
2170 1 108 PHE HA 1 109 PRO QD . . 3.060 2.413 2.406 2.416 . 0 0 "[ . 1 . 2]" 1
2171 1 108 PHE HA 1 109 PRO HD3 . . 3.820 3.361 3.353 3.363 . 0 0 "[ . 1 . 2]" 1
2172 1 108 PHE HA 1 109 PRO QG . . 4.470 4.210 4.204 4.213 . 0 0 "[ . 1 . 2]" 1
2173 1 108 PHE HB2 1 109 PRO HD2 . . 4.890 4.769 4.767 4.775 . 0 0 "[ . 1 . 2]" 1
2174 1 108 PHE HB2 1 109 PRO QD . . 4.080 4.122 4.118 4.131 0.051 13 0 "[ . 1 . 2]" 1
2175 1 108 PHE HB2 1 109 PRO HD3 . . 4.890 4.509 4.503 4.523 . 0 0 "[ . 1 . 2]" 1
2176 1 108 PHE QD 1 109 PRO QD . . 4.330 4.241 4.160 4.311 . 0 0 "[ . 1 . 2]" 1
2177 1 109 PRO HA 1 110 LEU H . . 2.740 2.352 2.158 2.497 . 0 0 "[ . 1 . 2]" 1
2178 1 109 PRO QB 1 110 LEU H . . 3.460 2.669 2.336 3.284 . 0 0 "[ . 1 . 2]" 1
2179 1 109 PRO HB2 1 110 LEU H . . 4.030 2.765 2.384 3.499 . 0 0 "[ . 1 . 2]" 1
2180 1 109 PRO HB3 1 110 LEU H . . 4.030 3.541 3.343 3.978 . 0 0 "[ . 1 . 2]" 1
2181 1 110 LEU H 1 110 LEU HB2 . . 2.840 2.413 2.263 2.501 . 0 0 "[ . 1 . 2]" 1
2182 1 110 LEU H 1 110 LEU HB3 . . 3.660 3.619 3.538 3.690 0.030 16 0 "[ . 1 . 2]" 1
2183 1 110 LEU H 1 110 LEU MD1 . . 4.230 3.999 3.646 4.136 . 0 0 "[ . 1 . 2]" 1
2184 1 110 LEU H 1 110 LEU MD2 . . 4.430 4.128 3.790 4.255 . 0 0 "[ . 1 . 2]" 1
2185 1 110 LEU H 1 110 LEU HG . . 3.930 3.335 2.979 3.607 . 0 0 "[ . 1 . 2]" 1
2186 1 110 LEU H 1 111 PRO HD2 . . 4.940 4.799 4.771 4.811 . 0 0 "[ . 1 . 2]" 1
2187 1 110 LEU H 1 111 PRO HD3 . . 5.180 5.026 4.985 5.079 . 0 0 "[ . 1 . 2]" 1
2188 1 110 LEU HB2 1 110 LEU MD1 . . 3.370 2.289 2.204 2.337 . 0 0 "[ . 1 . 2]" 1
2189 1 110 LEU HB2 1 111 PRO HD2 . . 4.490 3.664 3.599 3.771 . 0 0 "[ . 1 . 2]" 1
2190 1 110 LEU HB2 1 114 VAL MG2 . . 4.570 3.756 3.228 4.066 . 0 0 "[ . 1 . 2]" 1
2191 1 110 LEU HB2 1 115 PHE QE . . 4.530 3.886 3.458 4.208 . 0 0 "[ . 1 . 2]" 1
2192 1 110 LEU HB2 1 115 PHE HZ . . 4.430 4.050 3.531 4.429 . 0 0 "[ . 1 . 2]" 1
2193 1 110 LEU HB3 1 110 LEU MD1 . . 3.440 2.427 2.348 2.497 . 0 0 "[ . 1 . 2]" 1
2194 1 110 LEU HB3 1 110 LEU MD2 . . 3.440 2.333 2.268 2.372 . 0 0 "[ . 1 . 2]" 1
2195 1 110 LEU HB3 1 111 PRO HD2 . . 3.860 2.073 2.000 2.222 . 0 0 "[ . 1 . 2]" 1
2196 1 110 LEU HB3 1 111 PRO HD3 . . 4.130 3.506 3.442 3.631 . 0 0 "[ . 1 . 2]" 1
2197 1 110 LEU HB3 1 114 VAL MG2 . . 3.980 2.373 1.983 2.708 . 0 0 "[ . 1 . 2]" 1
2198 1 110 LEU HB3 1 115 PHE QE . . 5.130 4.669 4.336 5.130 . 0 0 "[ . 1 . 2]" 1
2199 1 110 LEU HB3 1 115 PHE HZ . . 5.500 4.790 4.307 5.173 . 0 0 "[ . 1 . 2]" 1
2200 1 110 LEU MD1 1 111 PRO HD2 . . 4.080 3.688 3.560 3.799 . 0 0 "[ . 1 . 2]" 1
2201 1 110 LEU MD1 1 111 PRO HD3 . . 5.030 4.927 4.817 5.023 . 0 0 "[ . 1 . 2]" 1
2202 1 110 LEU MD1 1 114 VAL MG1 . . 3.500 3.036 2.835 3.250 . 0 0 "[ . 1 . 2]" 1
2203 1 110 LEU MD1 1 114 VAL MG2 . . 3.520 2.919 2.607 3.192 . 0 0 "[ . 1 . 2]" 1
2204 1 110 LEU MD1 1 115 PHE QD . . 5.420 5.213 4.979 5.368 . 0 0 "[ . 1 . 2]" 1
2205 1 110 LEU MD1 1 115 PHE HZ . . 3.440 3.176 2.733 3.439 . 0 0 "[ . 1 . 2]" 1
2206 1 110 LEU MD2 1 111 PRO HD2 . . 3.610 2.004 1.827 2.239 . 0 0 "[ . 1 . 2]" 1
2207 1 110 LEU MD2 1 111 PRO HD3 . . 3.720 2.613 2.424 2.913 . 0 0 "[ . 1 . 2]" 1
2208 1 110 LEU MD2 1 114 VAL MG1 . . 4.480 4.063 3.870 4.377 . 0 0 "[ . 1 . 2]" 1
2209 1 110 LEU MD2 1 114 VAL MG2 . . 3.810 2.840 2.583 3.125 . 0 0 "[ . 1 . 2]" 1
2210 1 111 PRO HA 1 112 MET H . . 2.760 2.193 2.152 2.363 . 0 0 "[ . 1 . 2]" 1
2211 1 111 PRO HB2 1 112 MET H . . 3.890 3.392 2.715 3.693 . 0 0 "[ . 1 . 2]" 1
2212 1 111 PRO HB2 1 113 GLU H . . 3.250 2.680 2.304 2.876 . 0 0 "[ . 1 . 2]" 1
2213 1 111 PRO HB2 1 113 GLU HG3 . . 3.370 2.806 2.515 3.118 . 0 0 "[ . 1 . 2]" 1
2214 1 111 PRO HB2 1 114 VAL H . . 4.500 3.532 3.426 3.684 . 0 0 "[ . 1 . 2]" 1
2215 1 111 PRO HB3 1 112 MET H . . 4.120 3.916 3.507 4.111 . 0 0 "[ . 1 . 2]" 1
2216 1 111 PRO HB3 1 113 GLU H . . 4.400 4.224 3.984 4.372 . 0 0 "[ . 1 . 2]" 1
2217 1 111 PRO HD2 1 114 VAL HB . . 5.500 4.692 4.554 4.921 . 0 0 "[ . 1 . 2]" 1
2218 1 111 PRO HD2 1 114 VAL MG1 . . 4.920 4.807 4.629 4.915 . 0 0 "[ . 1 . 2]" 1
2219 1 111 PRO HD2 1 114 VAL MG2 . . 3.850 2.543 2.363 2.691 . 0 0 "[ . 1 . 2]" 1
2220 1 111 PRO HD3 1 114 VAL MG2 . . 4.230 3.944 3.779 4.054 . 0 0 "[ . 1 . 2]" 1
2221 1 111 PRO HG2 1 114 VAL H . . 4.120 3.092 2.940 3.305 . 0 0 "[ . 1 . 2]" 1
2222 1 111 PRO HG3 1 114 VAL MG2 . . 3.770 3.537 3.371 3.746 . 0 0 "[ . 1 . 2]" 1
2223 1 112 MET H 1 112 MET HB2 . . 3.690 3.259 2.577 3.614 . 0 0 "[ . 1 . 2]" 1
2224 1 112 MET H 1 112 MET QB . . 2.880 2.511 2.395 2.651 . 0 0 "[ . 1 . 2]" 1
2225 1 112 MET H 1 112 MET HB3 . . 3.690 2.904 2.431 3.617 . 0 0 "[ . 1 . 2]" 1
2226 1 112 MET H 1 112 MET HG2 . . 4.010 2.568 1.979 3.206 . 0 0 "[ . 1 . 2]" 1
2227 1 112 MET H 1 112 MET QG . . 3.270 2.195 1.882 3.070 . 0 0 "[ . 1 . 2]" 1
2228 1 112 MET H 1 112 MET HG3 . . 4.010 3.049 1.897 3.926 . 0 0 "[ . 1 . 2]" 1
2229 1 112 MET H 1 113 GLU H . . 3.570 2.825 2.476 3.013 . 0 0 "[ . 1 . 2]" 1
2230 1 112 MET HA 1 112 MET HG2 . . 4.100 3.346 2.383 4.173 0.073 19 0 "[ . 1 . 2]" 1
2231 1 112 MET HA 1 112 MET HG3 . . 4.100 3.681 3.107 4.185 0.085 8 0 "[ . 1 . 2]" 1
2232 1 112 MET HA 1 114 VAL H . . 4.150 3.998 3.611 4.138 . 0 0 "[ . 1 . 2]" 1
2233 1 112 MET HA 1 115 PHE H . . 4.810 3.397 3.262 3.788 . 0 0 "[ . 1 . 2]" 1
2234 1 112 MET HA 1 115 PHE QD . . 3.780 3.696 3.562 3.779 . 0 0 "[ . 1 . 2]" 1
2235 1 112 MET QB 1 113 GLU H . . 3.610 3.179 2.567 3.608 . 0 0 "[ . 1 . 2]" 1
2236 1 112 MET QB 1 115 PHE QD . . 5.030 4.873 4.642 5.016 . 0 0 "[ . 1 . 2]" 1
2237 1 112 MET HB2 1 113 GLU H . . 4.400 3.425 2.622 4.128 . 0 0 "[ . 1 . 2]" 1
2238 1 112 MET HB3 1 113 GLU H . . 4.400 3.901 3.657 4.206 . 0 0 "[ . 1 . 2]" 1
2239 1 112 MET QG 1 113 GLU H . . 4.760 2.866 1.991 4.105 . 0 0 "[ . 1 . 2]" 1
2240 1 112 MET HG2 1 113 GLU H . . 5.460 3.387 2.052 4.993 . 0 0 "[ . 1 . 2]" 1
2241 1 112 MET HG3 1 113 GLU H . . 5.460 3.335 2.167 5.094 . 0 0 "[ . 1 . 2]" 1
2242 1 113 GLU H 1 113 GLU HB2 . . 3.790 2.653 2.513 2.742 . 0 0 "[ . 1 . 2]" 1
2243 1 113 GLU H 1 113 GLU HB3 . . 3.810 3.611 3.593 3.625 . 0 0 "[ . 1 . 2]" 1
2244 1 113 GLU H 1 113 GLU HG2 . . 4.080 3.093 2.869 3.397 . 0 0 "[ . 1 . 2]" 1
2245 1 113 GLU H 1 113 GLU HG3 . . 4.020 2.086 1.930 2.324 . 0 0 "[ . 1 . 2]" 1
2246 1 113 GLU H 1 114 VAL H . . 3.640 2.993 2.777 3.093 . 0 0 "[ . 1 . 2]" 1
2247 1 113 GLU H 1 114 VAL MG2 . . 4.800 4.287 3.994 4.454 . 0 0 "[ . 1 . 2]" 1
2248 1 113 GLU HA 1 113 GLU HB3 . . 2.770 2.477 2.447 2.517 . 0 0 "[ . 1 . 2]" 1
2249 1 113 GLU HA 1 113 GLU HG2 . . 3.320 2.504 2.353 2.727 . 0 0 "[ . 1 . 2]" 1
2250 1 113 GLU HA 1 113 GLU HG3 . . 3.340 3.157 2.877 3.316 . 0 0 "[ . 1 . 2]" 1
2251 1 113 GLU HA 1 115 PHE H . . 4.870 4.574 3.940 4.869 . 0 0 "[ . 1 . 2]" 1
2252 1 113 GLU HA 1 116 LYS H . . 4.220 4.086 3.910 4.220 0.000 15 0 "[ . 1 . 2]" 1
2253 1 113 GLU HA 1 116 LYS QB . . 3.860 2.414 2.117 3.903 0.043 9 0 "[ . 1 . 2]" 1
2254 1 113 GLU HA 1 116 LYS QD . . 3.760 3.064 2.452 3.584 . 0 0 "[ . 1 . 2]" 1
2255 1 113 GLU HA 1 116 LYS QG . . 4.500 3.777 1.940 4.489 . 0 0 "[ . 1 . 2]" 1
2256 1 113 GLU HB2 1 114 VAL H . . 4.470 2.553 2.411 2.913 . 0 0 "[ . 1 . 2]" 1
2257 1 113 GLU HB2 1 114 VAL MG2 . . 3.500 3.281 3.163 3.435 . 0 0 "[ . 1 . 2]" 1
2258 1 113 GLU HB3 1 113 GLU HG2 . . 2.980 2.484 2.335 2.608 . 0 0 "[ . 1 . 2]" 1
2259 1 113 GLU HB3 1 114 VAL H . . 4.580 3.600 3.474 3.833 . 0 0 "[ . 1 . 2]" 1
2260 1 113 GLU HG2 1 114 VAL H . . 5.260 4.912 4.820 5.106 . 0 0 "[ . 1 . 2]" 1
2261 1 113 GLU HG2 1 116 LYS QD . . 5.120 3.974 3.246 4.929 . 0 0 "[ . 1 . 2]" 1
2262 1 113 GLU HG3 1 114 VAL H . . 4.570 4.257 4.150 4.500 . 0 0 "[ . 1 . 2]" 1
2263 1 114 VAL H 1 114 VAL HB . . 3.080 2.658 2.608 2.738 . 0 0 "[ . 1 . 2]" 1
2264 1 114 VAL H 1 114 VAL MG1 . . 3.890 3.764 3.753 3.782 . 0 0 "[ . 1 . 2]" 1
2265 1 114 VAL H 1 114 VAL MG2 . . 3.130 1.990 1.875 2.139 . 0 0 "[ . 1 . 2]" 1
2266 1 114 VAL HA 1 114 VAL MG1 . . 3.350 2.298 2.216 2.422 . 0 0 "[ . 1 . 2]" 1
2267 1 114 VAL HA 1 114 VAL MG2 . . 3.190 2.408 2.345 2.463 . 0 0 "[ . 1 . 2]" 1
2268 1 114 VAL HB 1 115 PHE H . . 3.890 2.337 2.049 2.765 . 0 0 "[ . 1 . 2]" 1
2269 1 114 VAL HB 1 115 PHE QD . . 4.240 3.558 3.360 3.708 . 0 0 "[ . 1 . 2]" 1
2270 1 114 VAL MG1 1 115 PHE H . . 4.540 3.297 2.790 3.642 . 0 0 "[ . 1 . 2]" 1
2271 1 114 VAL MG1 1 115 PHE QD . . 4.910 2.466 2.186 2.661 . 0 0 "[ . 1 . 2]" 1
2272 1 114 VAL MG1 1 115 PHE QE . . 3.810 2.250 2.025 2.760 . 0 0 "[ . 1 . 2]" 1
2273 1 114 VAL MG1 1 115 PHE HZ . . 4.940 3.514 3.004 3.805 . 0 0 "[ . 1 . 2]" 1
2274 1 114 VAL MG2 1 115 PHE H . . 4.340 3.697 3.611 3.847 . 0 0 "[ . 1 . 2]" 1
2275 1 114 VAL MG2 1 115 PHE QD . . 4.860 4.612 4.511 4.700 . 0 0 "[ . 1 . 2]" 1
2276 1 115 PHE H 1 115 PHE HB2 . . 3.950 2.730 2.657 2.818 . 0 0 "[ . 1 . 2]" 1
2277 1 115 PHE H 1 115 PHE QB . . 3.310 2.661 2.599 2.746 . 0 0 "[ . 1 . 2]" 1
2278 1 115 PHE H 1 115 PHE HB3 . . 3.950 3.686 3.635 3.796 . 0 0 "[ . 1 . 2]" 1
2279 1 115 PHE H 1 115 PHE QD . . 3.660 3.165 2.942 3.357 . 0 0 "[ . 1 . 2]" 1
2280 1 115 PHE H 1 116 LYS H . . 3.390 3.157 2.413 3.321 . 0 0 "[ . 1 . 2]" 1
2281 1 115 PHE HA 1 115 PHE QD . . 3.750 2.311 2.204 2.534 . 0 0 "[ . 1 . 2]" 1
2282 1 115 PHE QB 1 116 LYS H . . 3.930 3.824 2.428 3.912 . 0 0 "[ . 1 . 2]" 1
2283 1 115 PHE HB2 1 116 LYS H . . 4.770 4.184 2.458 4.349 . 0 0 "[ . 1 . 2]" 1
2284 1 115 PHE HB3 1 116 LYS H . . 4.770 4.461 3.775 4.539 . 0 0 "[ . 1 . 2]" 1
2285 1 115 PHE QD 1 116 LYS H . . 4.630 4.548 3.726 4.629 . 0 0 "[ . 1 . 2]" 1
2286 1 116 LYS H 1 116 LYS QB . . 2.950 2.332 2.160 2.613 . 0 0 "[ . 1 . 2]" 1
2287 1 116 LYS H 1 116 LYS QG . . 3.990 3.567 1.916 4.000 0.010 4 0 "[ . 1 . 2]" 1
2288 1 116 LYS H 1 117 ASP H . . 4.460 3.930 2.630 4.416 . 0 0 "[ . 1 . 2]" 1
2289 1 116 LYS HA 1 116 LYS QD . . 4.310 3.734 2.161 4.281 . 0 0 "[ . 1 . 2]" 1
2290 1 116 LYS HA 1 116 LYS QG . . 3.510 2.605 2.148 3.343 . 0 0 "[ . 1 . 2]" 1
2291 1 116 LYS HA 1 117 ASP HA . . 4.820 4.410 4.322 4.820 0.000 3 0 "[ . 1 . 2]" 1
2292 1 116 LYS QB 1 116 LYS QE . . 4.130 2.969 2.032 3.797 . 0 0 "[ . 1 . 2]" 1
2293 1 116 LYS QB 1 117 ASP H . . 4.120 3.863 3.384 4.042 . 0 0 "[ . 1 . 2]" 1
2294 1 116 LYS QE 1 116 LYS QG . . 3.270 2.251 2.074 2.612 . 0 0 "[ . 1 . 2]" 1
2295 1 116 LYS QG 1 117 ASP H . . 4.520 3.730 2.076 4.387 . 0 0 "[ . 1 . 2]" 1
2296 1 117 ASP H 1 117 ASP QB . . 3.600 2.707 2.286 3.159 . 0 0 "[ . 1 . 2]" 1
2297 1 117 ASP H 1 118 HIS H . . 4.560 3.948 2.283 4.445 . 0 0 "[ . 1 . 2]" 1
2298 1 117 ASP QB 1 118 HIS QB . . 4.890 4.364 3.290 4.806 . 0 0 "[ . 1 . 2]" 1
2299 1 118 HIS H 1 118 HIS QB . . 3.480 2.578 2.142 3.146 . 0 0 "[ . 1 . 2]" 1
2300 1 118 HIS HA 1 118 HIS HD2 . . 4.880 3.963 2.564 4.899 0.019 14 0 "[ . 1 . 2]" 1
2301 1 118 HIS HA 1 119 ALA MB . . 5.000 4.021 3.727 5.005 0.005 18 0 "[ . 1 . 2]" 1
2302 1 118 HIS QB 1 118 HIS HD2 . . 3.690 2.777 2.624 3.094 . 0 0 "[ . 1 . 2]" 1
2303 1 118 HIS QB 1 119 ALA H . . 4.170 2.932 2.257 3.551 . 0 0 "[ . 1 . 2]" 1
2304 1 118 HIS QB 1 119 ALA MB . . 4.820 4.477 3.783 4.814 . 0 0 "[ . 1 . 2]" 1
2305 1 118 HIS QB 1 121 LEU QD . . 4.170 3.668 2.363 4.176 0.006 14 0 "[ . 1 . 2]" 1
2306 1 118 HIS HD2 1 119 ALA HA . . 5.260 4.546 3.547 5.233 . 0 0 "[ . 1 . 2]" 1
2307 1 118 HIS HD2 1 119 ALA MB . . 4.960 4.537 3.344 4.955 . 0 0 "[ . 1 . 2]" 1
2308 1 118 HIS HD2 1 121 LEU QD . . 4.440 2.853 1.962 4.449 0.009 12 0 "[ . 1 . 2]" 1
2309 1 118 HIS HE1 1 119 ALA HA . . 5.500 5.038 4.077 5.506 0.006 14 0 "[ . 1 . 2]" 1
2310 1 119 ALA H 1 119 ALA MB . . 3.490 2.554 2.052 2.831 . 0 0 "[ . 1 . 2]" 1
2311 1 119 ALA MB 1 120 ASP H . . 4.210 2.707 2.222 3.702 . 0 0 "[ . 1 . 2]" 1
2312 1 120 ASP HA 1 121 LEU H . . 3.210 2.434 2.139 3.207 . 0 0 "[ . 1 . 2]" 1
2313 1 120 ASP QB 1 121 LEU H . . 4.020 3.594 2.841 3.977 . 0 0 "[ . 1 . 2]" 1
2314 1 120 ASP HB2 1 121 LEU H . . 4.670 4.329 3.824 4.646 . 0 0 "[ . 1 . 2]" 1
2315 1 120 ASP HB3 1 121 LEU H . . 4.670 3.895 2.926 4.377 . 0 0 "[ . 1 . 2]" 1
2316 1 121 LEU H 1 121 LEU QB . . 3.120 2.717 2.254 3.130 0.010 1 0 "[ . 1 . 2]" 1
2317 1 121 LEU H 1 121 LEU QD . . 4.280 2.749 1.638 3.638 . 0 0 "[ . 1 . 2]" 1
2318 1 121 LEU H 1 121 LEU HG . . 3.530 2.715 1.932 3.625 0.095 12 0 "[ . 1 . 2]" 1
2319 1 121 LEU HA 1 121 LEU QD . . 3.700 2.897 1.998 3.432 . 0 0 "[ . 1 . 2]" 1
2320 1 121 LEU HA 1 121 LEU HG . . 4.130 3.413 2.325 4.265 0.135 14 0 "[ . 1 . 2]" 1
2321 1 121 LEU HA 1 122 SER H . . 3.510 2.555 2.138 3.524 0.014 15 0 "[ . 1 . 2]" 1
2322 1 121 LEU QB 1 122 SER H . . 4.190 3.000 1.960 4.020 . 0 0 "[ . 1 . 2]" 1
2323 1 121 LEU QD 1 122 SER H . . 5.140 3.462 2.479 4.239 . 0 0 "[ . 1 . 2]" 1
2324 1 122 SER H 1 122 SER QB . . 3.550 2.531 2.163 2.980 . 0 0 "[ . 1 . 2]" 1
2325 1 122 SER HA 1 123 GLY H . . 3.510 2.750 2.177 3.538 0.028 8 0 "[ . 1 . 2]" 1
2326 1 122 SER QB 1 123 GLY H . . 4.180 3.141 2.510 3.938 . 0 0 "[ . 1 . 2]" 1
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