NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
406113 |
1xfl   |
6318 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1xfl
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 1374
_Distance_constraint_stats_list.Viol_count 2175
_Distance_constraint_stats_list.Viol_total 3417.576
_Distance_constraint_stats_list.Viol_max 0.329
_Distance_constraint_stats_list.Viol_rms 0.0274
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0062
_Distance_constraint_stats_list.Viol_average_violations_only 0.0786
_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 11 MET 0.106 0.056 13 0 "[ . 1 . 2]"
1 12 ALA 0.116 0.056 13 0 "[ . 1 . 2]"
1 13 SER 0.033 0.021 18 0 "[ . 1 . 2]"
1 14 GLU 0.771 0.158 9 0 "[ . 1 . 2]"
1 15 GLU 0.299 0.122 6 0 "[ . 1 . 2]"
1 16 GLY 0.679 0.155 7 0 "[ . 1 . 2]"
1 17 GLN 3.195 0.211 5 0 "[ . 1 . 2]"
1 18 VAL 3.549 0.211 5 0 "[ . 1 . 2]"
1 19 ILE 2.754 0.201 6 0 "[ . 1 . 2]"
1 20 ALA 0.071 0.032 17 0 "[ . 1 . 2]"
1 21 CYS 4.153 0.141 7 0 "[ . 1 . 2]"
1 22 HIS 0.109 0.055 13 0 "[ . 1 . 2]"
1 23 THR 2.846 0.178 13 0 "[ . 1 . 2]"
1 24 VAL 0.880 0.178 13 0 "[ . 1 . 2]"
1 25 GLU 2.181 0.254 12 0 "[ . 1 . 2]"
1 26 THR 0.536 0.057 2 0 "[ . 1 . 2]"
1 27 TRP 0.773 0.055 15 0 "[ . 1 . 2]"
1 28 ASN 1.044 0.093 10 0 "[ . 1 . 2]"
1 29 GLU 0.360 0.055 8 0 "[ . 1 . 2]"
1 30 GLN 6.359 0.194 4 0 "[ . 1 . 2]"
1 31 LEU 10.323 0.262 19 0 "[ . 1 . 2]"
1 32 GLN 1.660 0.069 13 0 "[ . 1 . 2]"
1 33 LYS 0.006 0.006 19 0 "[ . 1 . 2]"
1 34 ALA 2.263 0.159 10 0 "[ . 1 . 2]"
1 35 ASN 3.029 0.168 8 0 "[ . 1 . 2]"
1 36 GLU 2.850 0.168 8 0 "[ . 1 . 2]"
1 37 SER 1.608 0.057 12 0 "[ . 1 . 2]"
1 38 LYS 3.257 0.195 5 0 "[ . 1 . 2]"
1 39 THR 3.058 0.170 15 0 "[ . 1 . 2]"
1 40 LEU 6.866 0.329 15 0 "[ . 1 . 2]"
1 41 VAL 1.038 0.204 15 0 "[ . 1 . 2]"
1 42 VAL 2.866 0.213 6 0 "[ . 1 . 2]"
1 43 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ASP 0.304 0.304 4 0 "[ . 1 . 2]"
1 45 PHE 2.706 0.167 17 0 "[ . 1 . 2]"
1 46 THR 1.288 0.173 13 0 "[ . 1 . 2]"
1 47 ALA 0.175 0.061 19 0 "[ . 1 . 2]"
1 48 SER 0.000 0.000 4 0 "[ . 1 . 2]"
1 49 TRP 1.774 0.114 13 0 "[ . 1 . 2]"
1 50 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 CYS 1.951 0.121 7 0 "[ . 1 . 2]"
1 54 ARG 0.446 0.112 19 0 "[ . 1 . 2]"
1 55 PHE 0.324 0.097 5 0 "[ . 1 . 2]"
1 56 ILE 2.098 0.121 7 0 "[ . 1 . 2]"
1 57 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 PRO 0.346 0.055 11 0 "[ . 1 . 2]"
1 59 PHE 1.057 0.097 5 0 "[ . 1 . 2]"
1 60 PHE 1.523 0.138 1 0 "[ . 1 . 2]"
1 61 ALA 0.137 0.016 14 0 "[ . 1 . 2]"
1 62 ASP 3.364 0.189 7 0 "[ . 1 . 2]"
1 63 LEU 10.231 0.295 18 0 "[ . 1 . 2]"
1 64 ALA 0.440 0.056 18 0 "[ . 1 . 2]"
1 65 LYS 1.557 0.155 7 0 "[ . 1 . 2]"
1 66 LYS 1.343 0.115 17 0 "[ . 1 . 2]"
1 67 LEU 3.189 0.128 6 0 "[ . 1 . 2]"
1 68 PRO 1.221 0.128 6 0 "[ . 1 . 2]"
1 69 ASN 1.470 0.113 19 0 "[ . 1 . 2]"
1 70 VAL 0.013 0.013 16 0 "[ . 1 . 2]"
1 71 LEU 1.109 0.131 9 0 "[ . 1 . 2]"
1 72 PHE 3.255 0.213 6 0 "[ . 1 . 2]"
1 73 LEU 5.084 0.201 6 0 "[ . 1 . 2]"
1 74 LYS 3.355 0.303 7 0 "[ . 1 . 2]"
1 75 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ASP 2.715 0.295 14 0 "[ . 1 . 2]"
1 77 THR 2.228 0.294 19 0 "[ . 1 . 2]"
1 78 ASP 1.505 0.239 9 0 "[ . 1 . 2]"
1 79 GLU 5.786 0.191 8 0 "[ . 1 . 2]"
1 80 LEU 6.235 0.237 1 0 "[ . 1 . 2]"
1 81 LYS 0.508 0.110 8 0 "[ . 1 . 2]"
1 82 SER 1.458 0.080 7 0 "[ . 1 . 2]"
1 83 VAL 0.035 0.025 6 0 "[ . 1 . 2]"
1 84 ALA 0.162 0.068 13 0 "[ . 1 . 2]"
1 85 SER 0.424 0.077 13 0 "[ . 1 . 2]"
1 86 ASP 0.007 0.004 1 0 "[ . 1 . 2]"
1 87 TRP 2.886 0.085 14 0 "[ . 1 . 2]"
1 88 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ILE 0.939 0.094 17 0 "[ . 1 . 2]"
1 90 GLN 0.518 0.101 7 0 "[ . 1 . 2]"
1 91 ALA 0.456 0.084 14 0 "[ . 1 . 2]"
1 92 MET 2.712 0.305 8 0 "[ . 1 . 2]"
1 93 PRO 0.674 0.127 5 0 "[ . 1 . 2]"
1 94 THR 4.877 0.246 7 0 "[ . 1 . 2]"
1 95 PHE 3.020 0.146 14 0 "[ . 1 . 2]"
1 96 MET 2.404 0.127 8 0 "[ . 1 . 2]"
1 97 PHE 5.184 0.186 16 0 "[ . 1 . 2]"
1 98 LEU 3.233 0.216 16 0 "[ . 1 . 2]"
1 99 LYS 1.090 0.061 8 0 "[ . 1 . 2]"
1 100 GLU 5.213 0.254 5 0 "[ . 1 . 2]"
1 101 GLY 0.183 0.055 6 0 "[ . 1 . 2]"
1 102 LYS 0.122 0.061 18 0 "[ . 1 . 2]"
1 103 ILE 0.995 0.172 15 0 "[ . 1 . 2]"
1 104 LEU 2.855 0.087 16 0 "[ . 1 . 2]"
1 105 ASP 8.038 0.216 16 0 "[ . 1 . 2]"
1 106 LYS 1.577 0.208 20 0 "[ . 1 . 2]"
1 107 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 VAL 1.172 0.151 20 0 "[ . 1 . 2]"
1 109 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 ALA 0.478 0.074 19 0 "[ . 1 . 2]"
1 111 LYS 7.327 0.176 9 0 "[ . 1 . 2]"
1 112 LYS 3.194 0.199 5 0 "[ . 1 . 2]"
1 113 ASP 0.078 0.032 12 0 "[ . 1 . 2]"
1 114 GLU 1.111 0.140 10 0 "[ . 1 . 2]"
1 115 LEU 3.387 0.153 15 0 "[ . 1 . 2]"
1 116 GLN 3.129 0.153 15 0 "[ . 1 . 2]"
1 117 SER 2.790 0.140 10 0 "[ . 1 . 2]"
1 118 THR 1.910 0.142 14 0 "[ . 1 . 2]"
1 119 ILE 1.363 0.097 1 0 "[ . 1 . 2]"
1 120 ALA 2.014 0.122 15 0 "[ . 1 . 2]"
1 121 LYS 6.078 0.293 3 0 "[ . 1 . 2]"
1 122 HIS 5.746 0.163 6 0 "[ . 1 . 2]"
1 123 LEU 8.886 0.272 20 0 "[ . 1 . 2]"
1 124 ALA 0.385 0.196 13 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 17 GLN HA 1 17 GLN HB2 0.000 . 2.800 2.524 2.414 2.946 0.146 16 0 "[ . 1 . 2]" 1
2 1 25 GLU HA 1 25 GLU HB3 0.000 . 3.020 2.842 2.382 3.026 0.006 11 0 "[ . 1 . 2]" 1
3 1 25 GLU HA 1 25 GLU HB2 0.000 . 3.020 2.635 2.439 3.025 0.005 9 0 "[ . 1 . 2]" 1
4 1 28 ASN HA 1 28 ASN HB2 0.000 . 3.020 2.488 2.456 2.527 . 0 0 "[ . 1 . 2]" 1
5 1 28 ASN HA 1 28 ASN HB3 0.000 . 3.020 3.022 3.006 3.032 0.012 9 0 "[ . 1 . 2]" 1
6 1 30 GLN HA 1 30 GLN HB2 0.000 . 2.800 2.918 2.883 2.943 0.143 4 0 "[ . 1 . 2]" 1
7 1 30 GLN HA 1 30 GLN HB3 0.000 . 2.800 2.509 2.418 2.653 . 0 0 "[ . 1 . 2]" 1
8 1 31 LEU HA 1 31 LEU HB2 0.000 . 2.830 2.927 2.917 2.933 0.103 5 0 "[ . 1 . 2]" 1
9 1 31 LEU HA 1 31 LEU HB3 0.000 . 2.830 2.482 2.465 2.509 . 0 0 "[ . 1 . 2]" 1
10 1 37 SER HA 1 37 SER HB3 0.000 . 2.960 2.462 2.395 3.017 0.057 15 0 "[ . 1 . 2]" 1
11 1 37 SER HA 1 37 SER HB2 0.000 . 2.960 2.972 2.484 3.004 0.044 4 0 "[ . 1 . 2]" 1
12 1 38 LYS HA 1 38 LYS HB2 0.000 . 2.800 2.931 2.517 2.967 0.167 12 0 "[ . 1 . 2]" 1
13 1 38 LYS HA 1 38 LYS HB3 0.000 . 2.800 2.536 2.475 2.962 0.162 5 0 "[ . 1 . 2]" 1
14 1 39 THR HA 1 39 THR HB 0.000 . 2.990 2.972 2.956 2.983 . 0 0 "[ . 1 . 2]" 1
15 1 41 VAL HA 1 41 VAL HB 0.000 . 2.650 2.433 2.406 2.469 . 0 0 "[ . 1 . 2]" 1
16 1 42 VAL HA 1 42 VAL HB 0.000 . 2.860 2.899 2.510 2.997 0.137 16 0 "[ . 1 . 2]" 1
17 1 46 THR HA 1 46 THR HB 0.000 . 2.800 2.539 2.432 2.973 0.173 13 0 "[ . 1 . 2]" 1
18 1 49 TRP HA 1 49 TRP HB2 0.000 . 2.710 2.537 2.518 2.560 . 0 0 "[ . 1 . 2]" 1
19 1 49 TRP HA 1 49 TRP HB3 0.000 . 2.710 2.373 2.333 2.430 . 0 0 "[ . 1 . 2]" 1
20 1 53 CYS HA 1 53 CYS HB2 0.000 . 3.020 2.978 2.474 3.022 0.002 13 0 "[ . 1 . 2]" 1
21 1 53 CYS HA 1 53 CYS HB3 0.000 . 3.020 2.416 2.358 2.452 . 0 0 "[ . 1 . 2]" 1
22 1 56 ILE HA 1 56 ILE HB 0.000 . 2.770 2.537 2.495 2.571 . 0 0 "[ . 1 . 2]" 1
23 1 69 ASN HA 1 69 ASN HB2 0.000 . 2.960 2.545 2.406 3.000 0.040 16 0 "[ . 1 . 2]" 1
24 1 69 ASN HA 1 69 ASN HB3 0.000 . 2.960 2.877 2.435 3.022 0.062 3 0 "[ . 1 . 2]" 1
25 1 76 ASP HA 1 76 ASP HB2 0.000 . 2.860 2.494 2.282 2.583 . 0 0 "[ . 1 . 2]" 1
26 1 76 ASP HA 1 76 ASP HB3 0.000 . 2.860 2.956 2.540 2.991 0.131 11 0 "[ . 1 . 2]" 1
27 1 77 THR HA 1 77 THR HB 0.000 . 2.620 2.530 2.385 2.914 0.294 19 0 "[ . 1 . 2]" 1
28 1 82 SER HA 1 82 SER HB2 0.000 . 2.930 2.857 2.515 3.010 0.080 7 0 "[ . 1 . 2]" 1
29 1 82 SER HA 1 82 SER HB3 0.000 . 2.930 2.461 2.367 2.998 0.068 11 0 "[ . 1 . 2]" 1
30 1 87 TRP HA 1 87 TRP HB3 0.000 . 2.900 2.547 2.481 2.582 . 0 0 "[ . 1 . 2]" 1
31 1 87 TRP HA 1 87 TRP HB2 0.000 . 2.900 2.978 2.972 2.985 0.085 18 0 "[ . 1 . 2]" 1
32 1 94 THR HA 1 94 THR HB 0.000 . 2.710 2.924 2.437 2.956 0.246 7 0 "[ . 1 . 2]" 1
33 1 99 LYS HA 1 99 LYS HB3 0.000 . 2.960 3.003 2.993 3.021 0.061 8 0 "[ . 1 . 2]" 1
34 1 99 LYS HA 1 99 LYS HB2 0.000 . 2.960 2.429 2.372 2.484 . 0 0 "[ . 1 . 2]" 1
35 1 100 GLU HA 1 100 GLU HB3 0.000 . 2.900 2.525 2.495 2.594 . 0 0 "[ . 1 . 2]" 1
36 1 100 GLU HA 1 100 GLU HB2 0.000 . 2.900 2.990 2.982 3.000 0.100 8 0 "[ . 1 . 2]" 1
37 1 104 LEU HA 1 104 LEU HB3 0.000 . 2.960 2.514 2.474 2.571 . 0 0 "[ . 1 . 2]" 1
38 1 104 LEU HA 1 104 LEU HB2 0.000 . 2.960 2.988 2.960 3.001 0.041 3 0 "[ . 1 . 2]" 1
39 1 108 VAL HA 1 108 VAL HB 0.000 . 2.830 2.551 2.417 2.981 0.151 20 0 "[ . 1 . 2]" 1
40 1 112 LYS HA 1 112 LYS HB2 0.000 . 2.960 2.514 2.413 2.990 0.030 2 0 "[ . 1 . 2]" 1
41 1 121 LYS HA 1 121 LYS HB2 0.000 . 2.770 2.602 2.504 2.883 0.113 3 0 "[ . 1 . 2]" 1
42 1 123 LEU HA 1 123 LEU HB2 0.000 . 2.860 2.705 2.443 2.952 0.092 18 0 "[ . 1 . 2]" 1
43 1 123 LEU HA 1 123 LEU HB3 0.000 . 2.860 2.790 2.443 2.959 0.099 4 0 "[ . 1 . 2]" 1
44 1 121 LYS HA 1 121 LYS HB3 0.000 . 2.770 2.874 2.612 2.930 0.160 17 0 "[ . 1 . 2]" 1
45 1 75 VAL HA 1 76 ASP H 0.000 . 2.590 2.132 2.049 2.307 . 0 0 "[ . 1 . 2]" 1
46 1 77 THR HA 1 78 ASP H 0.000 . 3.480 3.383 3.326 3.485 0.005 9 0 "[ . 1 . 2]" 1
47 1 112 LYS HA 1 112 LYS HB3 0.000 . 2.960 2.948 2.481 3.003 0.043 20 0 "[ . 1 . 2]" 1
48 1 112 LYS H 1 112 LYS HB3 0.000 . 3.240 2.564 2.385 3.439 0.199 5 0 "[ . 1 . 2]" 1
49 1 42 VAL H 1 42 VAL HB 0.000 . 3.050 2.710 2.539 3.075 0.025 7 0 "[ . 1 . 2]" 1
50 1 12 ALA HA 1 13 SER H 0.000 . 3.140 2.303 2.061 3.151 0.011 12 0 "[ . 1 . 2]" 1
51 1 11 MET HA 1 12 ALA H 0.000 . 2.800 2.253 2.003 2.827 0.027 4 0 "[ . 1 . 2]" 1
52 1 37 SER H 1 37 SER HB3 0.000 . 3.520 3.510 2.486 3.577 0.057 12 0 "[ . 1 . 2]" 1
53 1 15 GLU HA 1 16 GLY H 0.000 . 2.620 2.400 2.176 2.742 0.122 6 0 "[ . 1 . 2]" 1
54 1 16 GLY HA3 1 17 GLN H 0.000 . 3.580 3.362 3.194 3.441 . 0 0 "[ . 1 . 2]" 1
55 1 16 GLY HA2 1 17 GLN H 0.000 . 3.580 3.120 2.939 3.316 . 0 0 "[ . 1 . 2]" 1
56 1 17 GLN HA 1 17 GLN HB3 0.000 . 2.800 2.312 2.219 2.527 . 0 0 "[ . 1 . 2]" 1
57 1 17 GLN HB2 1 18 VAL H 0.000 . 3.450 2.774 2.191 3.634 0.184 14 0 "[ . 1 . 2]" 1
58 1 18 VAL H 1 18 VAL HB 0.000 . 2.650 2.669 2.575 2.842 0.192 19 0 "[ . 1 . 2]" 1
59 1 18 VAL HA 1 19 ILE H 0.000 . 2.550 2.274 2.162 2.425 . 0 0 "[ . 1 . 2]" 1
60 1 19 ILE H 1 19 ILE HB 0.000 . 2.930 2.498 2.388 2.589 . 0 0 "[ . 1 . 2]" 1
61 1 21 CYS HB2 1 23 THR H 0.000 . 3.760 3.716 2.436 3.885 0.125 13 0 "[ . 1 . 2]" 1
62 1 21 CYS H 1 21 CYS HB2 0.000 . 3.420 2.623 2.445 3.505 0.085 8 0 "[ . 1 . 2]" 1
63 1 46 THR HB 1 47 ALA H 0.000 . 3.760 3.717 3.618 3.821 0.061 19 0 "[ . 1 . 2]" 1
64 1 46 THR H 1 46 THR HB 0.000 . 3.330 3.218 2.533 3.376 0.046 10 0 "[ . 1 . 2]" 1
65 1 20 ALA HA 1 21 CYS H 0.000 . 2.740 2.159 2.112 2.224 . 0 0 "[ . 1 . 2]" 1
66 1 23 THR HA 1 24 VAL H 0.000 . 3.050 2.310 2.248 2.382 . 0 0 "[ . 1 . 2]" 1
67 1 23 THR HB 1 24 VAL H 0.000 . 3.140 2.769 2.424 3.318 0.178 13 0 "[ . 1 . 2]" 1
68 1 83 VAL HA 1 86 ASP HB3 0.000 . 3.640 2.680 2.224 3.152 . 0 0 "[ . 1 . 2]" 1
69 1 24 VAL HA 1 24 VAL HB 0.000 . 2.930 2.593 2.449 3.015 0.085 19 0 "[ . 1 . 2]" 1
70 1 25 GLU H 1 25 GLU HB2 0.000 . 3.170 2.413 2.237 2.525 . 0 0 "[ . 1 . 2]" 1
71 1 25 GLU H 1 25 GLU HB3 0.000 . 3.170 2.774 2.434 3.424 0.254 12 0 "[ . 1 . 2]" 1
72 1 25 GLU H 1 25 GLU HA 0.000 . 2.830 2.768 2.673 2.829 . 0 0 "[ . 1 . 2]" 1
73 1 23 THR H 1 26 THR HB 0.000 . 3.330 3.234 3.011 3.349 0.019 12 0 "[ . 1 . 2]" 1
74 1 24 VAL HA 1 27 TRP HB3 0.000 . 3.170 2.070 1.903 2.316 . 0 0 "[ . 1 . 2]" 1
75 1 24 VAL HA 1 27 TRP HB2 0.000 . 3.170 2.966 2.621 3.205 0.035 10 0 "[ . 1 . 2]" 1
76 1 27 TRP H 1 27 TRP HB2 0.000 . 2.990 2.558 2.473 2.669 . 0 0 "[ . 1 . 2]" 1
77 1 27 TRP H 1 27 TRP HB3 0.000 . 2.990 2.339 2.221 2.399 . 0 0 "[ . 1 . 2]" 1
78 1 28 ASN HA 1 31 LEU H 0.000 . 3.640 3.594 3.431 3.712 0.072 7 0 "[ . 1 . 2]" 1
79 1 28 ASN HA 1 29 GLU H 0.000 . 3.580 3.512 3.453 3.549 . 0 0 "[ . 1 . 2]" 1
80 1 28 ASN H 1 28 ASN HB2 0.000 . 3.170 2.456 2.369 2.567 . 0 0 "[ . 1 . 2]" 1
81 1 28 ASN HB3 1 29 GLU H 0.000 . 3.760 2.487 2.330 2.605 . 0 0 "[ . 1 . 2]" 1
82 1 28 ASN H 1 28 ASN HB3 0.000 . 3.170 2.545 2.470 2.635 . 0 0 "[ . 1 . 2]" 1
83 1 29 GLU H 1 29 GLU HA 0.000 . 2.860 2.792 2.766 2.832 . 0 0 "[ . 1 . 2]" 1
84 1 29 GLU H 1 29 GLU HB2 0.000 . 2.960 2.463 2.242 2.584 . 0 0 "[ . 1 . 2]" 1
85 1 29 GLU H 1 29 GLU HB3 0.000 . 2.960 2.512 2.421 2.699 . 0 0 "[ . 1 . 2]" 1
86 1 30 GLN H 1 30 GLN HB2 0.000 . 3.240 2.142 1.958 2.329 . 0 0 "[ . 1 . 2]" 1
87 1 30 GLN H 1 30 GLN HB3 0.000 . 3.240 3.408 3.325 3.434 0.194 4 0 "[ . 1 . 2]" 1
88 1 31 LEU H 1 31 LEU HB3 0.000 . 3.140 3.382 3.362 3.402 0.262 19 0 "[ . 1 . 2]" 1
89 1 31 LEU H 1 31 LEU HB2 0.000 . 3.140 2.139 2.084 2.187 . 0 0 "[ . 1 . 2]" 1
90 1 31 LEU HB2 1 32 GLN H 0.000 . 3.300 2.402 2.341 2.508 . 0 0 "[ . 1 . 2]" 1
91 1 31 LEU HA 1 34 ALA H 0.000 . 3.110 3.223 3.160 3.269 0.159 10 0 "[ . 1 . 2]" 1
92 1 32 GLN H 1 32 GLN HA 0.000 . 2.740 2.777 2.761 2.800 0.060 14 0 "[ . 1 . 2]" 1
93 1 33 LYS H 1 33 LYS QB 0.000 . 3.900 2.225 2.103 2.355 . 0 0 "[ . 1 . 2]" 1
94 1 32 GLN HA 1 35 ASN HB3 0.000 . 3.210 2.844 2.458 3.069 . 0 0 "[ . 1 . 2]" 1
95 1 35 ASN HB3 1 36 GLU H 0.000 . 3.210 2.009 1.954 2.089 . 0 0 "[ . 1 . 2]" 1
96 1 35 ASN H 1 35 ASN HB3 0.000 . 2.930 2.566 2.422 2.644 . 0 0 "[ . 1 . 2]" 1
97 1 35 ASN HB2 1 36 GLU H 0.000 . 3.210 3.353 3.328 3.378 0.168 8 0 "[ . 1 . 2]" 1
98 1 36 GLU QB 1 37 SER H 0.000 . 4.520 2.612 2.438 2.884 . 0 0 "[ . 1 . 2]" 1
99 1 38 LYS HA 1 39 THR H 0.000 . 3.210 2.704 2.432 2.909 . 0 0 "[ . 1 . 2]" 1
100 1 39 THR HA 1 40 LEU H 0.000 . 2.590 2.164 2.099 2.284 . 0 0 "[ . 1 . 2]" 1
101 1 41 VAL H 1 41 VAL HB 0.000 . 3.110 3.142 3.117 3.168 0.058 10 0 "[ . 1 . 2]" 1
102 1 42 VAL HA 1 43 VAL H 0.000 . 2.490 2.146 2.108 2.184 . 0 0 "[ . 1 . 2]" 1
103 1 43 VAL H 1 43 VAL HB 0.000 . 3.140 2.662 2.581 2.781 . 0 0 "[ . 1 . 2]" 1
104 1 44 ASP H 1 44 ASP HB3 0.000 . 3.170 2.401 2.245 2.705 . 0 0 "[ . 1 . 2]" 1
105 1 44 ASP H 1 44 ASP HB2 0.000 . 3.170 3.028 2.796 3.474 0.304 4 0 "[ . 1 . 2]" 1
106 1 44 ASP HA 1 95 PHE HA 0.000 . 3.270 2.421 2.155 2.591 . 0 0 "[ . 1 . 2]" 1
107 1 45 PHE H 1 45 PHE HB2 0.000 . 3.450 2.405 2.356 2.539 . 0 0 "[ . 1 . 2]" 1
108 1 45 PHE H 1 45 PHE HB3 0.000 . 3.450 3.568 3.551 3.607 0.157 6 0 "[ . 1 . 2]" 1
109 1 49 TRP H 1 49 TRP HB2 0.000 . 3.670 3.662 3.606 3.698 0.028 19 0 "[ . 1 . 2]" 1
110 1 49 TRP H 1 49 TRP HB3 0.000 . 3.670 2.919 2.736 3.060 . 0 0 "[ . 1 . 2]" 1
111 1 53 CYS H 1 53 CYS HB2 0.000 . 3.890 2.566 2.435 3.529 . 0 0 "[ . 1 . 2]" 1
112 1 53 CYS HB2 1 54 ARG H 0.000 . 3.730 2.572 2.179 3.724 . 0 0 "[ . 1 . 2]" 1
113 1 53 CYS HB3 1 54 ARG H 0.000 . 3.730 3.719 3.458 3.842 0.112 19 0 "[ . 1 . 2]" 1
114 1 54 ARG H 1 54 ARG HB3 0.000 . 3.020 2.459 2.327 2.608 . 0 0 "[ . 1 . 2]" 1
115 1 54 ARG H 1 54 ARG HB2 0.000 . 3.020 2.526 2.367 2.634 . 0 0 "[ . 1 . 2]" 1
116 1 55 PHE QB 1 56 ILE H 0.000 . 4.550 2.850 2.664 3.103 . 0 0 "[ . 1 . 2]" 1
117 1 56 ILE H 1 56 ILE HB 0.000 . 2.900 2.627 2.576 2.684 . 0 0 "[ . 1 . 2]" 1
118 1 58 PRO HB3 1 59 PHE H 0.000 . 4.100 4.097 3.889 4.155 0.055 11 0 "[ . 1 . 2]" 1
119 1 60 PHE H 1 60 PHE HB2 0.000 . 2.960 2.496 2.397 2.564 . 0 0 "[ . 1 . 2]" 1
120 1 60 PHE HA 1 63 LEU HB2 0.000 . 3.700 2.479 2.211 3.260 . 0 0 "[ . 1 . 2]" 1
121 1 60 PHE H 1 60 PHE HB3 0.000 . 2.960 2.526 2.381 2.604 . 0 0 "[ . 1 . 2]" 1
122 1 62 ASP HB2 1 63 LEU H 0.000 . 3.450 3.585 3.538 3.639 0.189 7 0 "[ . 1 . 2]" 1
123 1 62 ASP H 1 62 ASP HB2 0.000 . 2.930 2.451 2.332 2.542 . 0 0 "[ . 1 . 2]" 1
124 1 63 LEU HA 1 66 LYS QB 0.000 . 4.180 2.724 2.149 3.573 . 0 0 "[ . 1 . 2]" 1
125 1 63 LEU HA 1 66 LYS H 0.000 . 3.300 3.335 3.215 3.415 0.115 17 0 "[ . 1 . 2]" 1
126 1 63 LEU H 1 63 LEU HB2 0.000 . 3.300 2.244 1.963 2.394 . 0 0 "[ . 1 . 2]" 1
127 1 63 LEU H 1 63 LEU HB3 0.000 . 3.300 3.253 2.176 3.497 0.197 9 0 "[ . 1 . 2]" 1
128 1 16 GLY H 1 65 LYS HA 0.000 . 3.110 2.563 1.936 3.265 0.155 7 0 "[ . 1 . 2]" 1
129 1 62 ASP HA 1 65 LYS QB 0.000 . 4.110 2.721 2.036 3.448 . 0 0 "[ . 1 . 2]" 1
130 1 65 LYS H 1 65 LYS QB 0.000 . 3.770 2.239 2.026 2.466 . 0 0 "[ . 1 . 2]" 1
131 1 65 LYS QB 1 66 LYS H 0.000 . 3.960 2.807 2.472 3.069 . 0 0 "[ . 1 . 2]" 1
132 1 67 LEU H 1 67 LEU HB3 0.000 . 3.520 3.481 2.252 3.641 0.121 6 0 "[ . 1 . 2]" 1
133 1 69 ASN H 1 69 ASN HB2 0.000 . 3.450 2.912 2.335 3.563 0.113 19 0 "[ . 1 . 2]" 1
134 1 69 ASN H 1 69 ASN HB3 0.000 . 3.450 2.738 2.480 3.562 0.112 20 0 "[ . 1 . 2]" 1
135 1 71 LEU H 1 71 LEU HB3 0.000 . 3.390 2.997 2.388 3.521 0.131 9 0 "[ . 1 . 2]" 1
136 1 73 LEU H 1 73 LEU HB2 0.000 . 3.700 2.664 2.595 2.733 . 0 0 "[ . 1 . 2]" 1
137 1 73 LEU HB3 1 74 LYS H 0.000 . 4.350 2.805 2.444 3.164 . 0 0 "[ . 1 . 2]" 1
138 1 74 LYS H 1 74 LYS HB2 0.000 . 3.300 2.639 2.209 3.132 . 0 0 "[ . 1 . 2]" 1
139 1 78 ASP H 1 78 ASP HB2 0.000 . 3.170 2.582 2.232 2.721 . 0 0 "[ . 1 . 2]" 1
140 1 79 GLU HB2 1 80 LEU H 0.000 . 3.080 2.418 1.958 3.248 0.168 1 0 "[ . 1 . 2]" 1
141 1 90 GLN H 1 90 GLN HB2 0.000 . 3.580 2.905 2.412 3.681 0.101 7 0 "[ . 1 . 2]" 1
142 1 81 LYS H 1 81 LYS HA 0.000 . 2.930 2.818 2.762 2.842 . 0 0 "[ . 1 . 2]" 1
143 1 82 SER H 1 82 SER HB3 0.000 . 3.670 3.292 2.586 3.635 . 0 0 "[ . 1 . 2]" 1
144 1 85 SER H 1 85 SER QB 0.000 . 3.900 2.372 2.213 2.640 . 0 0 "[ . 1 . 2]" 1
145 1 83 VAL HA 1 86 ASP HB2 0.000 . 3.640 3.265 2.940 3.644 0.004 1 0 "[ . 1 . 2]" 1
146 1 86 ASP H 1 86 ASP HA 0.000 . 2.900 2.843 2.809 2.886 . 0 0 "[ . 1 . 2]" 1
147 1 87 TRP H 1 87 TRP HB3 0.000 . 3.920 3.612 3.574 3.679 . 0 0 "[ . 1 . 2]" 1
148 1 88 ALA H 1 88 ALA HA 0.000 . 2.620 2.239 2.200 2.272 . 0 0 "[ . 1 . 2]" 1
149 1 89 ILE HA 1 91 ALA H 0.000 . 3.550 3.521 3.326 3.634 0.084 14 0 "[ . 1 . 2]" 1
150 1 89 ILE H 1 89 ILE HB 0.000 . 2.990 2.559 2.491 2.679 . 0 0 "[ . 1 . 2]" 1
151 1 90 GLN H 1 90 GLN HB3 0.000 . 3.580 2.919 2.459 3.643 0.063 10 0 "[ . 1 . 2]" 1
152 1 79 GLU H 1 79 GLU HB3 0.000 . 3.300 3.324 2.555 3.491 0.191 8 0 "[ . 1 . 2]" 1
153 1 92 MET H 1 92 MET HB3 0.000 . 3.640 3.655 3.580 3.700 0.060 19 0 "[ . 1 . 2]" 1
154 1 95 PHE H 1 95 PHE HB2 0.000 . 3.420 2.407 2.341 2.574 . 0 0 "[ . 1 . 2]" 1
155 1 96 MET HA 1 106 LYS HA 0.000 . 3.020 2.334 2.057 2.722 . 0 0 "[ . 1 . 2]" 1
156 1 96 MET HA 1 97 PHE H 0.000 . 2.550 2.105 2.052 2.139 . 0 0 "[ . 1 . 2]" 1
157 1 96 MET H 1 96 MET HB3 0.000 . 3.360 2.544 2.370 2.717 . 0 0 "[ . 1 . 2]" 1
158 1 97 PHE H 1 97 PHE HB2 0.000 . 3.300 2.227 2.145 2.275 . 0 0 "[ . 1 . 2]" 1
159 1 97 PHE H 1 97 PHE HB3 0.000 . 3.300 3.461 3.429 3.486 0.186 16 0 "[ . 1 . 2]" 1
160 1 98 LEU HA 1 103 ILE HA 0.000 . 2.960 2.622 2.355 3.005 0.045 6 0 "[ . 1 . 2]" 1
161 1 98 LEU HA 1 104 LEU H 0.000 . 3.080 2.073 1.924 2.264 . 0 0 "[ . 1 . 2]" 1
162 1 98 LEU QB 1 99 LYS H 0.000 . 4.390 2.408 2.317 2.632 . 0 0 "[ . 1 . 2]" 1
163 1 99 LYS H 1 99 LYS HB2 0.000 . 3.550 3.214 3.116 3.352 . 0 0 "[ . 1 . 2]" 1
164 1 99 LYS HA 1 100 GLU H 0.000 . 2.680 2.066 2.024 2.126 . 0 0 "[ . 1 . 2]" 1
165 1 100 GLU H 1 100 GLU HA 0.000 . 2.650 2.121 2.060 2.180 . 0 0 "[ . 1 . 2]" 1
166 1 102 LYS QB 1 103 ILE H 0.000 . 4.610 3.208 2.821 3.740 . 0 0 "[ . 1 . 2]" 1
167 1 103 ILE HA 1 104 LEU H 0.000 . 2.550 2.182 2.131 2.235 . 0 0 "[ . 1 . 2]" 1
168 1 104 LEU H 1 104 LEU HB2 0.000 . 3.550 2.405 2.362 2.437 . 0 0 "[ . 1 . 2]" 1
169 1 104 LEU H 1 104 LEU HB3 0.000 . 3.550 3.610 3.592 3.629 0.079 4 0 "[ . 1 . 2]" 1
170 1 105 ASP HB3 1 106 LYS H 0.000 . 3.520 3.496 2.431 3.617 0.097 11 0 "[ . 1 . 2]" 1
171 1 106 LYS QB 1 107 VAL H 0.000 . 4.700 2.943 2.456 3.868 . 0 0 "[ . 1 . 2]" 1
172 1 108 VAL H 1 108 VAL HB 0.000 . 2.900 2.845 2.487 2.968 0.068 8 0 "[ . 1 . 2]" 1
173 1 111 LYS H 1 111 LYS HB2 0.000 . 3.580 2.519 2.447 2.976 . 0 0 "[ . 1 . 2]" 1
174 1 112 LYS H 1 112 LYS HA 0.000 . 2.930 2.784 2.714 2.820 . 0 0 "[ . 1 . 2]" 1
175 1 114 GLU H 1 114 GLU HA 0.000 . 2.860 2.838 2.814 2.873 0.013 15 0 "[ . 1 . 2]" 1
176 1 114 GLU QB 1 115 LEU H 0.000 . 4.270 2.715 2.353 3.025 . 0 0 "[ . 1 . 2]" 1
177 1 115 LEU HB3 1 116 GLN H 0.000 . 3.360 2.168 2.063 2.269 . 0 0 "[ . 1 . 2]" 1
178 1 115 LEU H 1 115 LEU HB2 0.000 . 2.930 2.355 2.283 2.416 . 0 0 "[ . 1 . 2]" 1
179 1 116 GLN HA 1 119 ILE H 0.000 . 3.210 3.196 2.934 3.307 0.097 1 0 "[ . 1 . 2]" 1
180 1 116 GLN HA 1 117 SER H 0.000 . 3.520 3.504 3.468 3.534 0.014 15 0 "[ . 1 . 2]" 1
181 1 118 THR H 1 118 THR HB 0.000 . 3.110 2.491 2.427 2.605 . 0 0 "[ . 1 . 2]" 1
182 1 118 THR HA 1 121 LYS HB3 0.000 . 3.420 2.910 2.549 3.511 0.091 10 0 "[ . 1 . 2]" 1
183 1 119 ILE HA 1 120 ALA H 0.000 . 3.610 3.555 3.523 3.579 . 0 0 "[ . 1 . 2]" 1
184 1 116 GLN HA 1 119 ILE HB 0.000 . 3.170 2.581 2.351 2.932 . 0 0 "[ . 1 . 2]" 1
185 1 119 ILE HB 1 120 ALA H 0.000 . 2.900 2.529 2.346 2.812 . 0 0 "[ . 1 . 2]" 1
186 1 119 ILE H 1 119 ILE HB 0.000 . 2.770 2.561 2.479 2.622 . 0 0 "[ . 1 . 2]" 1
187 1 121 LYS H 1 121 LYS HA 0.000 . 2.830 2.781 2.698 2.824 . 0 0 "[ . 1 . 2]" 1
188 1 118 THR HA 1 121 LYS HB2 0.000 . 3.420 2.424 2.124 2.812 . 0 0 "[ . 1 . 2]" 1
189 1 121 LYS H 1 121 LYS HB3 0.000 . 2.960 2.664 2.458 3.253 0.293 3 0 "[ . 1 . 2]" 1
190 1 121 LYS HB2 1 122 HIS H 0.000 . 3.450 3.386 2.679 3.590 0.140 14 0 "[ . 1 . 2]" 1
191 1 121 LYS H 1 121 LYS HB2 0.000 . 2.960 2.179 1.815 2.348 . 0 0 "[ . 1 . 2]" 1
192 1 122 HIS H 1 122 HIS HB3 0.000 . 3.420 3.545 3.517 3.583 0.163 6 0 "[ . 1 . 2]" 1
193 1 120 ALA HA 1 123 LEU HB3 0.000 . 3.860 3.056 2.235 3.867 0.007 20 0 "[ . 1 . 2]" 1
194 1 120 ALA HA 1 123 LEU HB2 0.000 . 3.860 2.357 2.000 3.267 . 0 0 "[ . 1 . 2]" 1
195 1 80 LEU H 1 80 LEU HB2 0.000 . 3.270 2.297 2.182 2.859 . 0 0 "[ . 1 . 2]" 1
196 1 80 LEU H 1 80 LEU HB3 0.000 . 3.270 3.366 2.434 3.507 0.237 1 0 "[ . 1 . 2]" 1
197 1 99 LYS H 1 99 LYS HB3 0.000 . 3.550 2.700 2.587 2.852 . 0 0 "[ . 1 . 2]" 1
198 1 98 LEU HA 1 105 ASP H 0.000 . 3.550 3.682 3.586 3.766 0.216 16 0 "[ . 1 . 2]" 1
199 1 72 PHE HB3 1 73 LEU H 0.000 . 3.760 2.909 2.764 3.282 . 0 0 "[ . 1 . 2]" 1
200 1 96 MET HB3 1 97 PHE H 0.000 . 4.200 4.236 4.207 4.291 0.091 17 0 "[ . 1 . 2]" 1
201 1 82 SER HA 1 85 SER QB 0.000 . 3.830 2.828 2.520 3.749 . 0 0 "[ . 1 . 2]" 1
202 1 90 GLN HB3 1 91 ALA H 0.000 . 4.380 3.217 2.257 4.402 0.022 7 0 "[ . 1 . 2]" 1
203 1 114 GLU HA 1 117 SER H 0.000 . 3.140 3.190 3.101 3.280 0.140 10 0 "[ . 1 . 2]" 1
204 1 118 THR HA 1 121 LYS H 0.000 . 3.520 3.260 3.003 3.444 . 0 0 "[ . 1 . 2]" 1
205 1 94 THR HA 1 108 VAL HA 0.000 . 2.590 2.421 2.211 2.647 0.057 1 0 "[ . 1 . 2]" 1
206 1 40 LEU HA 1 100 GLU HA 0.000 . 3.170 3.331 3.249 3.424 0.254 5 0 "[ . 1 . 2]" 1
207 1 118 THR HB 1 119 ILE H 0.000 . 3.480 2.757 2.638 2.888 . 0 0 "[ . 1 . 2]" 1
208 1 32 GLN HA 1 35 ASN HB2 0.000 . 3.210 3.201 3.076 3.234 0.024 16 0 "[ . 1 . 2]" 1
209 1 73 LEU H 1 73 LEU HB3 0.000 . 3.700 3.761 3.726 3.804 0.104 8 0 "[ . 1 . 2]" 1
210 1 59 PHE HA 1 62 ASP HB2 0.000 . 3.210 2.891 2.547 3.156 . 0 0 "[ . 1 . 2]" 1
211 1 59 PHE HA 1 62 ASP HB3 0.000 . 3.210 2.807 2.403 3.093 . 0 0 "[ . 1 . 2]" 1
212 1 60 PHE HA 1 63 LEU HB3 0.000 . 3.700 3.532 2.469 3.838 0.138 1 0 "[ . 1 . 2]" 1
213 1 78 ASP HB2 1 79 GLU H 0.000 . 3.640 3.646 2.634 3.745 0.105 19 0 "[ . 1 . 2]" 1
214 1 78 ASP HB3 1 79 GLU H 0.000 . 3.640 2.499 2.276 3.631 . 0 0 "[ . 1 . 2]" 1
215 1 77 THR HA 1 80 LEU H 0.000 . 3.270 3.323 3.192 3.411 0.141 16 0 "[ . 1 . 2]" 1
216 1 92 MET HB2 1 93 PRO HA 0.000 . 3.860 3.833 3.469 3.987 0.127 5 0 "[ . 1 . 2]" 1
217 1 92 MET HB3 1 93 PRO HA 0.000 . 3.860 2.465 1.955 2.797 . 0 0 "[ . 1 . 2]" 1
218 1 19 ILE HA 1 19 ILE HG13 0.000 . 3.610 2.906 2.433 3.691 0.081 8 0 "[ . 1 . 2]" 1
219 1 19 ILE HA 1 19 ILE HG12 0.000 . 3.610 3.322 2.424 3.693 0.083 2 0 "[ . 1 . 2]" 1
220 1 25 GLU HA 1 25 GLU HG2 0.000 . 3.860 3.332 2.651 3.827 . 0 0 "[ . 1 . 2]" 1
221 1 25 GLU HA 1 25 GLU HG3 0.000 . 3.860 2.879 2.545 3.811 . 0 0 "[ . 1 . 2]" 1
222 1 29 GLU HA 1 29 GLU HG2 0.000 . 4.200 3.261 2.591 3.825 . 0 0 "[ . 1 . 2]" 1
223 1 31 LEU HA 1 31 LEU HG 0.000 . 3.450 3.121 3.088 3.162 . 0 0 "[ . 1 . 2]" 1
224 1 33 LYS HA 1 33 LYS HG3 0.000 . 4.010 2.878 2.552 3.816 . 0 0 "[ . 1 . 2]" 1
225 1 38 LYS HA 1 38 LYS HG3 0.000 . 3.360 3.033 2.492 3.175 . 0 0 "[ . 1 . 2]" 1
226 1 38 LYS HA 1 38 LYS HG2 0.000 . 3.360 2.498 2.414 2.802 . 0 0 "[ . 1 . 2]" 1
227 1 63 LEU HA 1 63 LEU HG 0.000 . 3.580 2.961 2.488 3.224 . 0 0 "[ . 1 . 2]" 1
228 1 63 LEU HB2 1 63 LEU HG 0.000 . 2.930 2.469 2.262 2.965 0.035 11 0 "[ . 1 . 2]" 1
229 1 63 LEU HB3 1 63 LEU HG 0.000 . 2.930 2.860 2.251 3.004 0.074 10 0 "[ . 1 . 2]" 1
230 1 65 LYS HA 1 65 LYS HG2 0.000 . 3.700 3.049 2.578 3.308 . 0 0 "[ . 1 . 2]" 1
231 1 65 LYS HA 1 65 LYS QD 0.000 . 4.640 3.956 3.184 4.298 . 0 0 "[ . 1 . 2]" 1
232 1 66 LYS HA 1 66 LYS QD 0.000 . 4.700 3.841 2.693 4.272 . 0 0 "[ . 1 . 2]" 1
233 1 74 LYS HA 1 74 LYS QE 0.000 . 3.990 3.703 1.814 4.293 0.303 7 0 "[ . 1 . 2]" 1
234 1 81 LYS HA 1 81 LYS QE 0.000 . 5.940 4.391 2.301 5.649 . 0 0 "[ . 1 . 2]" 1
235 1 84 ALA HA 1 89 ILE HG12 0.000 . 4.320 3.369 2.380 4.388 0.068 13 0 "[ . 1 . 2]" 1
236 1 99 LYS HA 1 99 LYS HG3 0.000 . 3.270 2.599 2.532 2.655 . 0 0 "[ . 1 . 2]" 1
237 1 99 LYS HA 1 99 LYS HG2 0.000 . 3.270 3.179 3.008 3.286 0.016 20 0 "[ . 1 . 2]" 1
238 1 100 GLU HA 1 100 GLU HG2 0.000 . 3.580 2.583 2.455 2.691 . 0 0 "[ . 1 . 2]" 1
239 1 102 LYS HA 1 102 LYS QE 0.000 . 4.890 4.039 2.171 4.951 0.061 18 0 "[ . 1 . 2]" 1
240 1 104 LEU HA 1 104 LEU HG 0.000 . 3.450 3.181 3.084 3.224 . 0 0 "[ . 1 . 2]" 1
241 1 111 LYS HA 1 111 LYS HD2 0.000 . 4.570 4.287 2.073 4.712 0.142 1 0 "[ . 1 . 2]" 1
242 1 111 LYS HA 1 111 LYS HD3 0.000 . 4.570 4.242 2.030 4.644 0.074 9 0 "[ . 1 . 2]" 1
243 1 111 LYS HA 1 111 LYS HG2 0.000 . 3.640 2.728 2.411 3.722 0.082 6 0 "[ . 1 . 2]" 1
244 1 111 LYS HD2 1 111 LYS HG2 0.000 . 2.770 2.563 2.314 2.921 0.151 6 0 "[ . 1 . 2]" 1
245 1 111 LYS HD3 1 111 LYS HG2 0.000 . 2.770 2.597 2.254 2.932 0.162 15 0 "[ . 1 . 2]" 1
246 1 111 LYS HA 1 111 LYS HG3 0.000 . 3.640 3.098 2.322 3.790 0.150 3 0 "[ . 1 . 2]" 1
247 1 111 LYS HD2 1 111 LYS HG3 0.000 . 2.770 2.445 2.250 2.946 0.176 9 0 "[ . 1 . 2]" 1
248 1 111 LYS HD3 1 111 LYS HG3 0.000 . 2.770 2.602 2.389 2.935 0.165 6 0 "[ . 1 . 2]" 1
249 1 111 LYS HA 1 111 LYS QE 0.000 . 4.980 4.074 1.801 4.945 . 0 0 "[ . 1 . 2]" 1
250 1 112 LYS HA 1 112 LYS HG2 0.000 . 3.610 2.996 2.380 3.653 0.043 2 0 "[ . 1 . 2]" 1
251 1 112 LYS HA 1 112 LYS HG3 0.000 . 3.610 2.698 2.416 3.661 0.051 7 0 "[ . 1 . 2]" 1
252 1 116 GLN HA 1 116 GLN HG2 0.000 . 4.040 2.974 2.465 3.723 . 0 0 "[ . 1 . 2]" 1
253 1 119 ILE HA 1 119 ILE HG12 0.000 . 3.830 2.724 2.487 3.164 . 0 0 "[ . 1 . 2]" 1
254 1 119 ILE HA 1 119 ILE HG13 0.000 . 3.830 3.247 2.959 3.779 . 0 0 "[ . 1 . 2]" 1
255 1 121 LYS HA 1 121 LYS HG3 0.000 . 4.230 2.647 2.505 2.885 . 0 0 "[ . 1 . 2]" 1
256 1 121 LYS HA 1 121 LYS HG2 0.000 . 4.230 2.901 2.378 3.142 . 0 0 "[ . 1 . 2]" 1
257 1 123 LEU HA 1 123 LEU HG 0.000 . 3.640 3.453 2.390 3.704 0.064 13 0 "[ . 1 . 2]" 1
258 1 123 LEU HB2 1 123 LEU HG 0.000 . 2.710 2.328 2.199 2.471 . 0 0 "[ . 1 . 2]" 1
259 1 123 LEU HB3 1 123 LEU HG 0.000 . 2.710 2.530 2.348 2.932 0.222 20 0 "[ . 1 . 2]" 1
260 1 92 MET HA 1 92 MET HG2 0.000 . 3.170 2.769 2.559 3.475 0.305 8 0 "[ . 1 . 2]" 1
261 1 92 MET HA 1 92 MET HG3 0.000 . 3.170 2.886 2.204 3.095 . 0 0 "[ . 1 . 2]" 1
262 1 45 PHE HA 1 75 VAL HB 0.000 . 3.890 2.515 2.138 3.103 . 0 0 "[ . 1 . 2]" 1
263 1 20 ALA HA 1 74 LYS HB2 0.000 . 4.010 3.207 1.872 4.042 0.032 17 0 "[ . 1 . 2]" 1
264 1 20 ALA HA 1 74 LYS HB3 0.000 . 4.010 2.796 1.928 3.743 . 0 0 "[ . 1 . 2]" 1
265 1 42 VAL HB 1 72 PHE HA 0.000 . 4.040 3.284 2.729 4.253 0.213 6 0 "[ . 1 . 2]" 1
266 1 11 MET HG3 1 12 ALA H 0.000 . 5.500 4.425 3.168 5.502 0.002 14 0 "[ . 1 . 2]" 1
267 1 28 ASN HA 1 31 LEU HG 0.000 . 4.040 3.722 3.303 4.042 0.002 7 0 "[ . 1 . 2]" 1
268 1 19 ILE HB 1 73 LEU HA 0.000 . 4.140 2.998 2.704 3.394 . 0 0 "[ . 1 . 2]" 1
269 1 19 ILE H 1 19 ILE HG13 0.000 . 4.910 3.544 2.378 3.888 . 0 0 "[ . 1 . 2]" 1
270 1 29 GLU HA 1 29 GLU HG3 0.000 . 4.200 2.753 2.551 3.770 . 0 0 "[ . 1 . 2]" 1
271 1 30 GLN H 1 30 GLN HG2 0.000 . 3.790 2.469 2.072 3.809 0.019 11 0 "[ . 1 . 2]" 1
272 1 30 GLN H 1 30 GLN HG3 0.000 . 3.790 3.631 3.454 3.917 0.127 18 0 "[ . 1 . 2]" 1
273 1 31 LEU H 1 31 LEU HG 0.000 . 3.330 2.346 2.265 2.474 . 0 0 "[ . 1 . 2]" 1
274 1 33 LYS HA 1 33 LYS HG2 0.000 . 4.010 3.128 2.568 3.764 . 0 0 "[ . 1 . 2]" 1
275 1 36 GLU H 1 36 GLU HG2 0.000 . 4.970 4.303 2.370 4.562 . 0 0 "[ . 1 . 2]" 1
276 1 36 GLU H 1 36 GLU HG3 0.000 . 4.970 4.314 2.208 4.646 . 0 0 "[ . 1 . 2]" 1
277 1 38 LYS H 1 38 LYS HG2 0.000 . 4.350 3.480 3.296 4.545 0.195 5 0 "[ . 1 . 2]" 1
278 1 38 LYS H 1 38 LYS HG3 0.000 . 4.350 2.946 2.685 4.347 . 0 0 "[ . 1 . 2]" 1
279 1 49 TRP HB2 1 49 TRP HD1 0.000 . 3.580 3.650 3.610 3.694 0.114 13 0 "[ . 1 . 2]" 1
280 1 52 PRO HB2 1 55 PHE QB 0.000 . 6.130 4.605 4.205 4.977 . 0 0 "[ . 1 . 2]" 1
281 1 52 PRO HB3 1 55 PHE QB 0.000 . 6.130 4.232 3.968 4.957 . 0 0 "[ . 1 . 2]" 1
282 1 52 PRO HD3 1 53 CYS H 0.000 . 4.690 3.960 3.814 4.150 . 0 0 "[ . 1 . 2]" 1
283 1 50 CYS QB 1 53 CYS HB2 0.000 . 6.250 2.434 1.880 4.441 . 0 0 "[ . 1 . 2]" 1
284 1 54 ARG HA 1 54 ARG HG3 0.000 . 3.830 2.911 2.471 3.805 . 0 0 "[ . 1 . 2]" 1
285 1 54 ARG H 1 54 ARG HG3 0.000 . 4.540 4.489 4.431 4.571 0.031 16 0 "[ . 1 . 2]" 1
286 1 54 ARG HA 1 54 ARG HG2 0.000 . 3.830 3.064 2.569 3.723 . 0 0 "[ . 1 . 2]" 1
287 1 56 ILE QG 1 59 PHE QD 0.000 . 8.500 3.607 3.166 5.265 . 0 0 "[ . 1 . 2]" 1
288 1 58 PRO HD2 1 59 PHE H 0.000 . 4.660 2.835 2.396 3.359 . 0 0 "[ . 1 . 2]" 1
289 1 56 ILE QG 1 59 PHE HB3 0.000 . 5.510 3.180 2.734 4.410 . 0 0 "[ . 1 . 2]" 1
290 1 56 ILE QG 1 59 PHE HB2 0.000 . 5.510 4.564 4.102 5.340 . 0 0 "[ . 1 . 2]" 1
291 1 63 LEU HB2 1 72 PHE QE 0.000 . 7.190 4.035 2.749 5.193 . 0 0 "[ . 1 . 2]" 1
292 1 63 LEU H 1 63 LEU HG 0.000 . 3.700 2.827 2.151 3.995 0.295 18 0 "[ . 1 . 2]" 1
293 1 65 LYS H 1 65 LYS HG2 0.000 . 5.440 4.382 3.545 4.562 . 0 0 "[ . 1 . 2]" 1
294 1 65 LYS HA 1 65 LYS HG3 0.000 . 3.700 2.776 2.511 3.752 0.052 10 0 "[ . 1 . 2]" 1
295 1 67 LEU HA 1 67 LEU HG 0.000 . 4.230 2.846 2.544 3.799 . 0 0 "[ . 1 . 2]" 1
296 1 67 LEU HB2 1 72 PHE QE 0.000 . 6.290 2.398 2.142 3.108 . 0 0 "[ . 1 . 2]" 1
297 1 67 LEU HB2 1 72 PHE HZ 0.000 . 4.290 2.392 1.941 4.134 . 0 0 "[ . 1 . 2]" 1
298 1 67 LEU HA 1 68 PRO HD3 0.000 . 3.240 2.405 1.951 2.969 . 0 0 "[ . 1 . 2]" 1
299 1 67 LEU HA 1 68 PRO HD2 0.000 . 2.830 2.122 1.872 2.710 . 0 0 "[ . 1 . 2]" 1
300 1 70 VAL HB 1 72 PHE QD 0.000 . 6.910 3.950 3.605 4.264 . 0 0 "[ . 1 . 2]" 1
301 1 41 VAL HA 1 71 LEU HB2 0.000 . 4.790 3.566 2.481 4.805 0.015 18 0 "[ . 1 . 2]" 1
302 1 18 VAL HA 1 72 PHE HB2 0.000 . 4.600 2.620 2.274 2.973 . 0 0 "[ . 1 . 2]" 1
303 1 43 VAL HA 1 73 LEU HB2 0.000 . 4.790 2.697 2.255 3.261 . 0 0 "[ . 1 . 2]" 1
304 1 19 ILE H 1 73 LEU HG 0.000 . 3.550 3.620 3.561 3.751 0.201 6 0 "[ . 1 . 2]" 1
305 1 76 ASP HB2 1 79 GLU HB3 0.000 . 6.040 5.378 4.073 6.110 0.070 14 0 "[ . 1 . 2]" 1
306 1 76 ASP HB2 1 79 GLU HB2 0.000 . 6.040 4.075 3.579 4.669 . 0 0 "[ . 1 . 2]" 1
307 1 79 GLU QG 1 80 LEU H 0.000 . 5.420 3.919 3.223 4.517 . 0 0 "[ . 1 . 2]" 1
308 1 79 GLU H 1 81 LYS QG 0.000 . 5.790 5.400 4.370 5.900 0.110 8 0 "[ . 1 . 2]" 1
309 1 84 ALA HA 1 89 ILE HB 0.000 . 4.170 2.909 2.290 3.684 . 0 0 "[ . 1 . 2]" 1
310 1 84 ALA HA 1 89 ILE HG13 0.000 . 4.320 3.266 2.659 3.899 . 0 0 "[ . 1 . 2]" 1
311 1 89 ILE H 1 89 ILE HG13 0.000 . 4.140 3.644 2.186 4.148 0.008 11 0 "[ . 1 . 2]" 1
312 1 89 ILE H 1 89 ILE HG12 0.000 . 4.140 2.606 2.161 3.963 . 0 0 "[ . 1 . 2]" 1
313 1 45 PHE H 1 94 THR HB 0.000 . 4.790 3.633 3.075 4.957 0.167 17 0 "[ . 1 . 2]" 1
314 1 96 MET HG2 1 97 PHE H 0.000 . 4.510 3.320 3.041 3.607 . 0 0 "[ . 1 . 2]" 1
315 1 96 MET HG3 1 97 PHE H 0.000 . 4.510 3.344 3.060 4.553 0.043 15 0 "[ . 1 . 2]" 1
316 1 96 MET HG2 1 103 ILE HG13 0.000 . 5.890 5.611 4.996 5.916 0.026 18 0 "[ . 1 . 2]" 1
317 1 96 MET HG3 1 103 ILE HG13 0.000 . 5.890 5.848 4.857 6.017 0.127 8 0 "[ . 1 . 2]" 1
318 1 97 PHE HB3 1 105 ASP HB3 0.000 . 6.100 5.952 4.839 6.166 0.066 1 0 "[ . 1 . 2]" 1
319 1 41 VAL H 1 98 LEU QB 0.000 . 6.130 3.840 2.858 5.047 . 0 0 "[ . 1 . 2]" 1
320 1 98 LEU H 1 98 LEU HG 0.000 . 4.010 3.430 2.387 4.126 0.116 10 0 "[ . 1 . 2]" 1
321 1 99 LYS HG2 1 100 GLU HG2 0.000 . 5.140 3.751 3.473 4.352 . 0 0 "[ . 1 . 2]" 1
322 1 99 LYS HG2 1 100 GLU HG3 0.000 . 5.140 2.039 1.866 2.600 . 0 0 "[ . 1 . 2]" 1
323 1 100 GLU HA 1 100 GLU HG3 0.000 . 3.580 3.023 2.873 3.161 . 0 0 "[ . 1 . 2]" 1
324 1 100 GLU H 1 100 GLU HG3 0.000 . 4.660 2.914 2.596 3.167 . 0 0 "[ . 1 . 2]" 1
325 1 100 GLU H 1 100 GLU HG2 0.000 . 4.660 3.539 3.317 3.724 . 0 0 "[ . 1 . 2]" 1
326 1 103 ILE HA 1 103 ILE HG12 0.000 . 3.860 2.579 2.502 3.036 . 0 0 "[ . 1 . 2]" 1
327 1 103 ILE H 1 103 ILE HG12 0.000 . 4.350 3.384 2.173 3.604 . 0 0 "[ . 1 . 2]" 1
328 1 103 ILE HA 1 103 ILE HG13 0.000 . 3.860 3.049 2.802 3.807 . 0 0 "[ . 1 . 2]" 1
329 1 103 ILE H 1 103 ILE HG13 0.000 . 4.350 2.262 2.007 3.635 . 0 0 "[ . 1 . 2]" 1
330 1 97 PHE HB2 1 104 LEU HB2 0.000 . 4.910 3.679 3.451 4.028 . 0 0 "[ . 1 . 2]" 1
331 1 97 PHE HB2 1 105 ASP HB2 0.000 . 6.100 4.173 2.083 4.579 . 0 0 "[ . 1 . 2]" 1
332 1 97 PHE HB2 1 105 ASP HB3 0.000 . 6.100 4.795 3.523 5.067 . 0 0 "[ . 1 . 2]" 1
333 1 97 PHE QD 1 105 ASP HB2 0.000 . 7.620 4.572 3.397 5.008 . 0 0 "[ . 1 . 2]" 1
334 1 111 LYS H 1 111 LYS HG2 0.000 . 4.320 3.892 2.744 4.353 0.033 6 0 "[ . 1 . 2]" 1
335 1 112 LYS H 1 112 LYS HG3 0.000 . 4.320 4.234 2.605 4.407 0.087 3 0 "[ . 1 . 2]" 1
336 1 114 GLU QG 1 115 LEU H 0.000 . 6.160 3.887 3.549 4.560 . 0 0 "[ . 1 . 2]" 1
337 1 116 GLN H 1 116 GLN HG2 0.000 . 4.100 2.715 2.032 4.021 . 0 0 "[ . 1 . 2]" 1
338 1 59 PHE QD 1 119 ILE HG13 0.000 . 6.410 5.883 4.005 6.351 . 0 0 "[ . 1 . 2]" 1
339 1 59 PHE QD 1 119 ILE HG12 0.000 . 6.410 6.164 4.714 6.480 0.070 11 0 "[ . 1 . 2]" 1
340 1 119 ILE H 1 119 ILE HG12 0.000 . 4.290 3.017 2.073 3.458 . 0 0 "[ . 1 . 2]" 1
341 1 120 ALA HA 1 123 LEU HG 0.000 . 4.570 3.591 2.195 4.609 0.039 14 0 "[ . 1 . 2]" 1
342 1 116 GLN HA 1 116 GLN HG3 0.000 . 4.040 3.492 2.514 3.847 . 0 0 "[ . 1 . 2]" 1
343 1 116 GLN H 1 116 GLN HG3 0.000 . 4.100 3.276 2.159 3.846 . 0 0 "[ . 1 . 2]" 1
344 1 42 VAL HB 1 60 PHE QD 0.000 . 7.310 5.733 4.367 6.853 . 0 0 "[ . 1 . 2]" 1
345 1 45 PHE QE 1 96 MET HB3 0.000 . 6.970 2.504 2.081 2.828 . 0 0 "[ . 1 . 2]" 1
346 1 97 PHE HB3 1 104 LEU HB2 0.000 . 4.910 3.630 3.393 3.822 . 0 0 "[ . 1 . 2]" 1
347 1 97 PHE HB3 1 104 LEU HB3 0.000 . 4.910 4.888 4.653 4.947 0.037 12 0 "[ . 1 . 2]" 1
348 1 97 PHE HB2 1 104 LEU HB3 0.000 . 4.910 4.825 4.566 4.945 0.035 4 0 "[ . 1 . 2]" 1
349 1 41 VAL HA 1 71 LEU HB3 0.000 . 4.790 3.471 2.535 4.660 . 0 0 "[ . 1 . 2]" 1
350 1 56 ILE QG 1 95 PHE HZ 0.000 . 5.630 2.100 1.972 2.558 . 0 0 "[ . 1 . 2]" 1
351 1 56 ILE QG 1 59 PHE H 0.000 . 5.540 4.503 4.344 5.089 . 0 0 "[ . 1 . 2]" 1
352 1 71 LEU H 1 71 LEU HG 0.000 . 4.910 3.983 2.514 4.703 . 0 0 "[ . 1 . 2]" 1
353 1 18 VAL HA 1 72 PHE HB3 0.000 . 4.600 3.819 3.361 4.103 . 0 0 "[ . 1 . 2]" 1
354 1 80 LEU H 1 80 LEU HG 0.000 . 4.200 3.482 2.609 4.298 0.098 2 0 "[ . 1 . 2]" 1
355 1 34 ALA HA 1 39 THR HB 0.000 . 3.520 2.511 2.038 3.284 . 0 0 "[ . 1 . 2]" 1
356 1 67 LEU HG 1 68 PRO HD2 0.000 . 4.540 4.548 4.121 4.668 0.128 6 0 "[ . 1 . 2]" 1
357 1 63 LEU HB3 1 72 PHE QE 0.000 . 7.190 3.020 2.038 4.246 . 0 0 "[ . 1 . 2]" 1
358 1 45 PHE QE 1 96 MET HG3 0.000 . 7.620 4.449 3.278 4.972 . 0 0 "[ . 1 . 2]" 1
359 1 45 PHE QE 1 96 MET HG2 0.000 . 7.620 4.399 3.869 4.735 . 0 0 "[ . 1 . 2]" 1
360 1 119 ILE HA 1 122 HIS HD2 0.000 . 4.480 3.719 3.443 3.847 . 0 0 "[ . 1 . 2]" 1
361 1 99 LYS HG2 1 100 GLU H 0.000 . 5.130 3.350 3.012 3.700 . 0 0 "[ . 1 . 2]" 1
362 1 104 LEU HB3 1 122 HIS HE1 0.000 . 5.040 3.382 2.804 3.893 . 0 0 "[ . 1 . 2]" 1
363 1 104 LEU HG 1 122 HIS HE1 0.000 . 5.500 3.934 3.643 4.296 . 0 0 "[ . 1 . 2]" 1
364 1 55 PHE QD 1 112 LYS HA 0.000 . 6.600 6.520 5.869 6.697 0.097 5 0 "[ . 1 . 2]" 1
365 1 45 PHE QE 1 75 VAL HB 0.000 . 7.560 3.743 3.146 4.076 . 0 0 "[ . 1 . 2]" 1
366 1 94 THR HB 1 94 THR HG1 0.000 . 2.830 2.474 2.170 2.737 . 0 0 "[ . 1 . 2]" 1
367 1 93 PRO HG2 1 95 PHE HZ 0.000 . 4.720 3.423 2.556 4.487 . 0 0 "[ . 1 . 2]" 1
368 1 93 PRO HG3 1 95 PHE HZ 0.000 . 4.720 3.825 3.078 4.607 . 0 0 "[ . 1 . 2]" 1
369 1 43 VAL HA 1 73 LEU HB3 0.000 . 4.790 4.009 3.555 4.444 . 0 0 "[ . 1 . 2]" 1
370 1 50 CYS QB 1 53 CYS HB3 0.000 . 6.250 3.412 2.896 4.633 . 0 0 "[ . 1 . 2]" 1
371 1 92 MET H 1 92 MET HG2 0.000 . 5.340 3.971 3.755 4.233 . 0 0 "[ . 1 . 2]" 1
372 1 46 THR HA 1 92 MET HB2 0.000 . 5.070 4.660 3.841 5.142 0.072 20 0 "[ . 1 . 2]" 1
373 1 46 THR HA 1 92 MET HB3 0.000 . 5.070 3.047 2.124 3.740 . 0 0 "[ . 1 . 2]" 1
374 1 19 ILE HA 1 19 ILE MD 0.000 . 3.770 2.829 1.993 3.818 0.048 4 0 "[ . 1 . 2]" 1
375 1 19 ILE HB 1 19 ILE MD 0.000 . 3.580 2.671 2.388 3.260 . 0 0 "[ . 1 . 2]" 1
376 1 23 THR HA 1 23 THR MG 0.000 . 3.520 2.349 2.197 2.440 . 0 0 "[ . 1 . 2]" 1
377 1 26 THR HA 1 26 THR MG 0.000 . 3.710 2.372 2.329 2.426 . 0 0 "[ . 1 . 2]" 1
378 1 77 THR HA 1 77 THR MG 0.000 . 3.640 2.584 2.266 3.236 . 0 0 "[ . 1 . 2]" 1
379 1 103 ILE HA 1 103 ILE MD 0.000 . 3.890 3.770 2.176 3.877 . 0 0 "[ . 1 . 2]" 1
380 1 103 ILE HB 1 103 ILE MD 0.000 . 3.520 2.472 2.386 3.238 . 0 0 "[ . 1 . 2]" 1
381 1 104 LEU HA 1 104 LEU MD2 0.000 . 4.640 2.009 1.946 2.046 . 0 0 "[ . 1 . 2]" 1
382 1 104 LEU HA 1 104 LEU MD1 0.000 . 4.640 3.800 3.741 3.833 . 0 0 "[ . 1 . 2]" 1
383 1 119 ILE HA 1 119 ILE MD 0.000 . 4.330 3.307 2.013 3.884 . 0 0 "[ . 1 . 2]" 1
384 1 123 LEU HA 1 123 LEU MD1 0.000 . 3.710 2.886 1.981 3.768 0.058 20 0 "[ . 1 . 2]" 1
385 1 123 LEU HA 1 123 LEU MD2 0.000 . 3.710 2.278 1.965 2.842 . 0 0 "[ . 1 . 2]" 1
386 1 45 PHE QD 1 77 THR MG 0.000 . 6.910 3.619 2.459 5.278 . 0 0 "[ . 1 . 2]" 1
387 1 46 THR H 1 77 THR MG 0.000 . 4.510 3.152 2.591 4.598 0.088 19 0 "[ . 1 . 2]" 1
388 1 34 ALA MB 1 41 VAL MG1 0.000 . 6.220 2.556 2.288 2.943 . 0 0 "[ . 1 . 2]" 1
389 1 18 VAL H 1 18 VAL MG1 0.000 . 4.790 3.495 1.980 3.872 . 0 0 "[ . 1 . 2]" 1
390 1 18 VAL H 1 18 VAL MG2 0.000 . 4.790 2.883 2.522 3.867 . 0 0 "[ . 1 . 2]" 1
391 1 41 VAL H 1 41 VAL MG1 0.000 . 3.950 2.176 2.123 2.302 . 0 0 "[ . 1 . 2]" 1
392 1 19 ILE MG 1 30 GLN HE22 0.000 . 5.470 3.333 2.144 4.282 . 0 0 "[ . 1 . 2]" 1
393 1 19 ILE MG 1 30 GLN HE21 0.000 . 5.470 2.377 1.745 4.077 . 0 0 "[ . 1 . 2]" 1
394 1 19 ILE HA 1 20 ALA MB 0.000 . 5.260 3.992 3.864 4.040 . 0 0 "[ . 1 . 2]" 1
395 1 21 CYS HB2 1 80 LEU MD2 0.000 . 8.430 3.945 2.152 5.458 . 0 0 "[ . 1 . 2]" 1
396 1 21 CYS HB3 1 80 LEU MD2 0.000 . 8.430 4.190 2.795 5.305 . 0 0 "[ . 1 . 2]" 1
397 1 22 HIS HB3 1 23 THR MG 0.000 . 5.380 3.838 3.417 5.435 0.055 13 0 "[ . 1 . 2]" 1
398 1 27 TRP HB3 1 80 LEU MD1 0.000 . 8.120 4.349 3.474 6.476 . 0 0 "[ . 1 . 2]" 1
399 1 27 TRP HB2 1 80 LEU MD1 0.000 . 8.120 3.749 2.512 5.525 . 0 0 "[ . 1 . 2]" 1
400 1 30 GLN HB3 1 73 LEU MD1 0.000 . 8.150 2.924 2.036 3.909 . 0 0 "[ . 1 . 2]" 1
401 1 30 GLN HB2 1 73 LEU MD1 0.000 . 8.150 3.942 2.730 5.148 . 0 0 "[ . 1 . 2]" 1
402 1 27 TRP HZ2 1 31 LEU MD1 0.000 . 5.320 2.739 2.511 2.974 . 0 0 "[ . 1 . 2]" 1
403 1 83 VAL MG2 1 87 TRP HD1 0.000 . 5.720 4.447 4.046 5.042 . 0 0 "[ . 1 . 2]" 1
404 1 27 TRP HZ2 1 31 LEU MD2 0.000 . 5.320 3.672 2.839 4.383 . 0 0 "[ . 1 . 2]" 1
405 1 27 TRP HZ3 1 43 VAL MG2 0.000 . 5.260 2.414 2.154 2.755 . 0 0 "[ . 1 . 2]" 1
406 1 56 ILE MG 1 110 ALA HA 0.000 . 4.390 3.870 3.009 4.417 0.027 20 0 "[ . 1 . 2]" 1
407 1 56 ILE MG 1 57 ALA H 0.000 . 4.540 2.694 2.474 2.969 . 0 0 "[ . 1 . 2]" 1
408 1 34 ALA MB 1 39 THR HB 0.000 . 4.790 2.909 2.497 3.400 . 0 0 "[ . 1 . 2]" 1
409 1 31 LEU HA 1 34 ALA MB 0.000 . 4.330 2.608 2.456 2.789 . 0 0 "[ . 1 . 2]" 1
410 1 39 THR MG 1 71 LEU H 0.000 . 4.510 2.989 2.547 3.665 . 0 0 "[ . 1 . 2]" 1
411 1 39 THR MG 1 40 LEU H 0.000 . 4.570 2.236 2.147 2.300 . 0 0 "[ . 1 . 2]" 1
412 1 40 LEU HB2 1 70 VAL MG2 0.000 . 8.070 3.987 3.502 4.907 . 0 0 "[ . 1 . 2]" 1
413 1 40 LEU HB3 1 70 VAL MG2 0.000 . 8.070 2.675 2.071 5.019 . 0 0 "[ . 1 . 2]" 1
414 1 40 LEU MD1 1 70 VAL MG2 0.000 . 9.370 2.743 2.062 3.862 . 0 0 "[ . 1 . 2]" 1
415 1 40 LEU MD2 1 70 VAL MG2 0.000 . 9.370 2.295 1.833 3.092 . 0 0 "[ . 1 . 2]" 1
416 1 34 ALA MB 1 41 VAL MG2 0.000 . 6.220 3.003 2.578 3.533 . 0 0 "[ . 1 . 2]" 1
417 1 42 VAL MG2 1 43 VAL H 0.000 . 5.230 3.787 2.566 4.135 . 0 0 "[ . 1 . 2]" 1
418 1 45 PHE HB2 1 77 THR MG 0.000 . 5.040 4.100 3.311 5.107 0.067 6 0 "[ . 1 . 2]" 1
419 1 46 THR MG 1 76 ASP HA 0.000 . 4.420 3.390 2.033 4.449 0.029 12 0 "[ . 1 . 2]" 1
420 1 47 ALA MB 1 50 CYS QB 0.000 . 6.320 2.718 1.945 3.574 . 0 0 "[ . 1 . 2]" 1
421 1 56 ILE MD 1 110 ALA MB 0.000 . 6.130 2.954 2.448 3.472 . 0 0 "[ . 1 . 2]" 1
422 1 56 ILE MD 1 112 LYS HA 0.000 . 4.170 2.897 1.981 3.551 . 0 0 "[ . 1 . 2]" 1
423 1 56 ILE MD 1 110 ALA HA 0.000 . 4.020 4.018 3.728 4.094 0.074 19 0 "[ . 1 . 2]" 1
424 1 56 ILE MD 1 57 ALA H 0.000 . 5.130 4.756 4.691 4.820 . 0 0 "[ . 1 . 2]" 1
425 1 56 ILE H 1 56 ILE MD 0.000 . 4.670 4.121 4.052 4.190 . 0 0 "[ . 1 . 2]" 1
426 1 57 ALA MB 1 58 PRO HD3 0.000 . 4.170 2.134 1.901 2.391 . 0 0 "[ . 1 . 2]" 1
427 1 57 ALA MB 1 58 PRO HD2 0.000 . 4.170 3.123 2.653 3.427 . 0 0 "[ . 1 . 2]" 1
428 1 61 ALA HA 1 64 ALA MB 0.000 . 4.390 2.564 2.330 2.863 . 0 0 "[ . 1 . 2]" 1
429 1 81 LYS HA 1 84 ALA MB 0.000 . 4.300 2.605 2.231 3.370 . 0 0 "[ . 1 . 2]" 1
430 1 84 ALA MB 1 85 SER H 0.000 . 4.300 2.504 2.315 2.726 . 0 0 "[ . 1 . 2]" 1
431 1 61 ALA MB 1 62 ASP H 0.000 . 4.200 2.706 2.546 2.782 . 0 0 "[ . 1 . 2]" 1
432 1 63 LEU H 1 63 LEU MD1 0.000 . 5.500 3.580 2.149 4.074 . 0 0 "[ . 1 . 2]" 1
433 1 18 VAL HA 1 64 ALA MB 0.000 . 4.950 3.590 2.803 3.994 . 0 0 "[ . 1 . 2]" 1
434 1 17 GLN HA 1 64 ALA MB 0.000 . 4.020 3.755 3.070 4.031 0.011 3 0 "[ . 1 . 2]" 1
435 1 64 ALA MB 1 72 PHE HB2 0.000 . 4.820 2.840 2.357 3.501 . 0 0 "[ . 1 . 2]" 1
436 1 18 VAL MG2 1 72 PHE HB3 0.000 . 6.820 2.832 2.087 3.265 . 0 0 "[ . 1 . 2]" 1
437 1 64 ALA MB 1 72 PHE HB3 0.000 . 4.820 3.543 3.104 4.070 . 0 0 "[ . 1 . 2]" 1
438 1 89 ILE HA 1 89 ILE MD 0.000 . 3.800 2.377 2.041 3.824 0.024 13 0 "[ . 1 . 2]" 1
439 1 89 ILE MG 1 91 ALA H 0.000 . 4.790 3.383 2.855 3.875 . 0 0 "[ . 1 . 2]" 1
440 1 89 ILE MG 1 90 GLN H 0.000 . 4.820 3.238 2.708 3.513 . 0 0 "[ . 1 . 2]" 1
441 1 45 PHE HB2 1 89 ILE MG 0.000 . 4.950 2.628 2.053 3.650 . 0 0 "[ . 1 . 2]" 1
442 1 45 PHE HB3 1 89 ILE MG 0.000 . 4.950 2.413 2.002 3.442 . 0 0 "[ . 1 . 2]" 1
443 1 84 ALA MB 1 89 ILE MG 0.000 . 6.630 3.154 2.464 3.526 . 0 0 "[ . 1 . 2]" 1
444 1 87 TRP HB3 1 89 ILE MD 0.000 . 5.160 3.040 2.674 3.579 . 0 0 "[ . 1 . 2]" 1
445 1 45 PHE QD 1 89 ILE MD 0.000 . 7.350 2.980 2.706 3.342 . 0 0 "[ . 1 . 2]" 1
446 1 93 PRO HD2 1 110 ALA MB 0.000 . 5.100 2.726 2.300 3.708 . 0 0 "[ . 1 . 2]" 1
447 1 93 PRO HD3 1 110 ALA MB 0.000 . 5.100 2.790 2.320 3.768 . 0 0 "[ . 1 . 2]" 1
448 1 89 ILE MG 1 94 THR HB 0.000 . 4.390 2.706 2.272 3.328 . 0 0 "[ . 1 . 2]" 1
449 1 89 ILE MD 1 94 THR HB 0.000 . 4.880 2.441 2.106 4.104 . 0 0 "[ . 1 . 2]" 1
450 1 94 THR MG 1 95 PHE H 0.000 . 4.140 2.817 2.681 3.958 . 0 0 "[ . 1 . 2]" 1
451 1 63 LEU MD1 1 95 PHE HB3 0.000 . 8.610 5.970 4.948 7.909 . 0 0 "[ . 1 . 2]" 1
452 1 42 VAL MG1 1 95 PHE HB3 0.000 . 8.780 3.885 3.136 5.725 . 0 0 "[ . 1 . 2]" 1
453 1 95 PHE HB2 1 107 VAL MG2 0.000 . 8.470 3.218 2.768 3.694 . 0 0 "[ . 1 . 2]" 1
454 1 89 ILE MD 1 94 THR MG 0.000 . 6.040 2.252 1.841 3.010 . 0 0 "[ . 1 . 2]" 1
455 1 89 ILE MD 1 96 MET HB2 0.000 . 5.290 4.163 3.578 4.834 . 0 0 "[ . 1 . 2]" 1
456 1 89 ILE MD 1 96 MET HB3 0.000 . 5.290 5.085 4.584 5.384 0.094 17 0 "[ . 1 . 2]" 1
457 1 87 TRP HH2 1 98 LEU MD1 0.000 . 5.630 4.504 2.719 5.647 0.017 14 0 "[ . 1 . 2]" 1
458 1 99 LYS HB2 1 104 LEU MD1 0.000 . 5.390 1.995 1.894 2.065 . 0 0 "[ . 1 . 2]" 1
459 1 40 LEU MD2 1 99 LYS HB2 0.000 . 7.090 3.980 3.484 4.766 . 0 0 "[ . 1 . 2]" 1
460 1 103 ILE MG 1 105 ASP H 0.000 . 4.670 3.362 2.971 3.621 . 0 0 "[ . 1 . 2]" 1
461 1 103 ILE MG 1 104 LEU H 0.000 . 4.610 2.731 2.560 2.906 . 0 0 "[ . 1 . 2]" 1
462 1 98 LEU MD1 1 103 ILE HG12 0.000 . 8.120 3.388 2.352 5.332 . 0 0 "[ . 1 . 2]" 1
463 1 98 LEU MD1 1 103 ILE HG13 0.000 . 8.120 4.269 2.962 6.397 . 0 0 "[ . 1 . 2]" 1
464 1 103 ILE H 1 103 ILE MD 0.000 . 5.160 3.584 3.272 3.695 . 0 0 "[ . 1 . 2]" 1
465 1 103 ILE H 1 103 ILE MG 0.000 . 4.790 3.786 3.752 3.812 . 0 0 "[ . 1 . 2]" 1
466 1 99 LYS HB2 1 104 LEU MD2 0.000 . 5.390 3.622 3.263 4.209 . 0 0 "[ . 1 . 2]" 1
467 1 105 ASP HB2 1 118 THR MG 0.000 . 4.570 3.731 2.557 4.092 . 0 0 "[ . 1 . 2]" 1
468 1 56 ILE MD 1 112 LYS QE 0.000 . 6.600 4.837 2.894 6.057 . 0 0 "[ . 1 . 2]" 1
469 1 59 PHE QD 1 115 LEU MD1 0.000 . 7.660 4.385 3.181 4.761 . 0 0 "[ . 1 . 2]" 1
470 1 59 PHE QE 1 115 LEU MD2 0.000 . 8.430 2.399 1.998 3.762 . 0 0 "[ . 1 . 2]" 1
471 1 116 GLN HA 1 119 ILE MD 0.000 . 4.300 2.803 1.929 4.322 0.022 16 0 "[ . 1 . 2]" 1
472 1 115 LEU MD2 1 116 GLN HG2 0.000 . 8.300 4.495 3.914 5.678 . 0 0 "[ . 1 . 2]" 1
473 1 117 SER HA 1 120 ALA MB 0.000 . 4.200 2.742 2.478 2.941 . 0 0 "[ . 1 . 2]" 1
474 1 105 ASP HB3 1 118 THR MG 0.000 . 4.570 4.496 2.463 4.712 0.142 14 0 "[ . 1 . 2]" 1
475 1 118 THR MG 1 119 ILE HA 0.000 . 5.010 3.719 3.499 3.906 . 0 0 "[ . 1 . 2]" 1
476 1 119 ILE MG 1 120 ALA HA 0.000 . 4.760 3.455 3.287 3.617 . 0 0 "[ . 1 . 2]" 1
477 1 119 ILE MG 1 120 ALA H 0.000 . 4.610 3.381 3.219 3.576 . 0 0 "[ . 1 . 2]" 1
478 1 115 LEU MD2 1 119 ILE HG12 0.000 . 8.460 4.607 4.105 5.257 . 0 0 "[ . 1 . 2]" 1
479 1 115 LEU MD2 1 119 ILE HG13 0.000 . 8.460 4.334 4.025 4.885 . 0 0 "[ . 1 . 2]" 1
480 1 119 ILE H 1 119 ILE MD 0.000 . 4.920 3.468 3.089 3.676 . 0 0 "[ . 1 . 2]" 1
481 1 99 LYS HB3 1 104 LEU MD1 0.000 . 5.390 2.333 2.161 2.533 . 0 0 "[ . 1 . 2]" 1
482 1 115 LEU MD2 1 116 GLN HG3 0.000 . 8.300 5.167 3.902 6.053 . 0 0 "[ . 1 . 2]" 1
483 1 87 TRP HB2 1 89 ILE MD 0.000 . 5.160 3.313 2.326 3.958 . 0 0 "[ . 1 . 2]" 1
484 1 40 LEU MD2 1 99 LYS HB3 0.000 . 7.090 5.305 4.858 5.973 . 0 0 "[ . 1 . 2]" 1
485 1 41 VAL MG2 1 71 LEU HB2 0.000 . 8.620 3.361 2.117 4.982 . 0 0 "[ . 1 . 2]" 1
486 1 41 VAL MG2 1 71 LEU HB3 0.000 . 8.620 2.704 2.262 3.459 . 0 0 "[ . 1 . 2]" 1
487 1 43 VAL MG2 1 73 LEU HB3 0.000 . 6.080 3.573 3.189 4.243 . 0 0 "[ . 1 . 2]" 1
488 1 43 VAL MG2 1 73 LEU HB2 0.000 . 6.080 2.252 1.917 3.069 . 0 0 "[ . 1 . 2]" 1
489 1 18 VAL MG2 1 72 PHE HB2 0.000 . 6.820 2.482 2.098 2.916 . 0 0 "[ . 1 . 2]" 1
490 1 56 ILE MD 1 59 PHE QD 0.000 . 7.380 3.176 2.541 5.006 . 0 0 "[ . 1 . 2]" 1
491 1 40 LEU MD1 1 97 PHE QD 0.000 . 8.000 5.025 4.179 6.640 . 0 0 "[ . 1 . 2]" 1
492 1 40 LEU MD2 1 97 PHE QD 0.000 . 8.000 3.886 3.274 5.382 . 0 0 "[ . 1 . 2]" 1
493 1 18 VAL MG2 1 60 PHE QD 0.000 . 6.790 2.508 1.942 3.290 . 0 0 "[ . 1 . 2]" 1
494 1 21 CYS HB2 1 75 VAL MG2 0.000 . 8.070 2.897 2.076 4.556 . 0 0 "[ . 1 . 2]" 1
495 1 21 CYS HB3 1 75 VAL MG2 0.000 . 8.070 4.195 3.527 5.078 . 0 0 "[ . 1 . 2]" 1
496 1 22 HIS HB2 1 23 THR MG 0.000 . 5.380 3.267 2.789 5.094 . 0 0 "[ . 1 . 2]" 1
497 1 75 VAL MG2 1 80 LEU HB2 0.000 . 6.760 4.742 4.329 5.545 . 0 0 "[ . 1 . 2]" 1
498 1 75 VAL MG1 1 80 LEU HB3 0.000 . 6.760 3.110 1.963 3.734 . 0 0 "[ . 1 . 2]" 1
499 1 75 VAL MG1 1 80 LEU HB2 0.000 . 6.760 2.504 2.178 3.347 . 0 0 "[ . 1 . 2]" 1
500 1 75 VAL MG2 1 76 ASP H 0.000 . 5.660 4.073 3.942 4.295 . 0 0 "[ . 1 . 2]" 1
501 1 45 PHE QE 1 89 ILE MD 0.000 . 7.220 3.283 2.984 3.735 . 0 0 "[ . 1 . 2]" 1
502 1 24 VAL MG2 1 28 ASN HD21 0.000 . 7.690 4.891 3.475 6.753 . 0 0 "[ . 1 . 2]" 1
503 1 24 VAL MG2 1 28 ASN HD22 0.000 . 7.690 6.046 4.902 7.736 0.046 19 0 "[ . 1 . 2]" 1
504 1 87 TRP HE3 1 103 ILE MD 0.000 . 4.920 3.703 2.773 4.497 . 0 0 "[ . 1 . 2]" 1
505 1 118 THR MG 1 121 LYS HD2 0.000 . 6.280 3.519 2.740 4.480 . 0 0 "[ . 1 . 2]" 1
506 1 118 THR MG 1 121 LYS HD3 0.000 . 6.280 3.331 2.403 4.610 . 0 0 "[ . 1 . 2]" 1
507 1 53 CYS HA 1 56 ILE MG 0.000 . 4.080 2.094 1.876 2.537 . 0 0 "[ . 1 . 2]" 1
508 1 53 CYS HA 1 56 ILE MD 0.000 . 5.470 5.551 5.499 5.591 0.121 7 0 "[ . 1 . 2]" 1
509 1 47 ALA MB 1 49 TRP HE1 0.000 . 4.760 2.922 2.453 3.534 . 0 0 "[ . 1 . 2]" 1
510 1 43 VAL MG1 1 73 LEU HB3 0.000 . 6.080 3.081 2.559 3.796 . 0 0 "[ . 1 . 2]" 1
511 1 46 THR MG 1 74 LYS QE 0.000 . 6.230 2.558 1.837 4.071 . 0 0 "[ . 1 . 2]" 1
512 1 18 VAL MG1 1 72 PHE HB3 0.000 . 6.820 3.099 2.036 5.320 . 0 0 "[ . 1 . 2]" 1
513 1 27 TRP HE1 1 83 VAL MG1 0.000 . 5.100 2.771 2.232 3.458 . 0 0 "[ . 1 . 2]" 1
514 1 118 THR MG 1 122 HIS H 0.000 . 4.700 4.253 3.978 4.565 . 0 0 "[ . 1 . 2]" 1
515 1 64 ALA MB 1 67 LEU H 0.000 . 5.810 4.744 4.440 4.952 . 0 0 "[ . 1 . 2]" 1
516 1 42 VAL MG2 1 119 ILE HG12 0.000 . 8.840 6.063 5.091 7.679 . 0 0 "[ . 1 . 2]" 1
517 1 42 VAL MG2 1 119 ILE HG13 0.000 . 8.840 6.870 6.198 7.732 . 0 0 "[ . 1 . 2]" 1
518 1 60 PHE QD 1 63 LEU MD1 0.000 . 8.460 3.017 2.267 5.518 . 0 0 "[ . 1 . 2]" 1
519 1 47 ALA H 1 92 MET ME 0.000 . 5.320 3.588 1.745 5.167 . 0 0 "[ . 1 . 2]" 1
520 1 46 THR MG 1 47 ALA H 0.000 . 5.290 2.976 2.174 3.451 . 0 0 "[ . 1 . 2]" 1
521 1 95 PHE HB3 1 107 VAL MG2 0.000 . 8.470 4.183 3.662 4.687 . 0 0 "[ . 1 . 2]" 1
522 1 63 LEU MD1 1 95 PHE HB2 0.000 . 8.610 6.846 5.918 8.674 0.064 14 0 "[ . 1 . 2]" 1
523 1 42 VAL MG1 1 95 PHE HB2 0.000 . 8.780 5.241 4.501 7.173 . 0 0 "[ . 1 . 2]" 1
524 1 89 ILE MG 1 92 MET HG3 0.000 . 4.850 3.411 2.591 4.405 . 0 0 "[ . 1 . 2]" 1
525 1 89 ILE MG 1 92 MET HG2 0.000 . 4.850 3.224 2.148 4.273 . 0 0 "[ . 1 . 2]" 1
526 1 77 THR MG 1 92 MET HG2 0.000 . 5.320 2.903 2.194 3.616 . 0 0 "[ . 1 . 2]" 1
527 1 77 THR MG 1 92 MET HG3 0.000 . 5.320 3.814 2.651 4.847 . 0 0 "[ . 1 . 2]" 1
528 1 45 PHE HB3 1 77 THR MG 0.000 . 5.040 2.916 2.058 4.178 . 0 0 "[ . 1 . 2]" 1
529 1 89 ILE MG 1 94 THR HG1 0.000 . 4.700 2.810 2.312 4.709 0.009 17 0 "[ . 1 . 2]" 1
530 1 46 THR HA 1 92 MET ME 0.000 . 5.810 4.134 2.742 5.846 0.036 20 0 "[ . 1 . 2]" 1
531 1 17 GLN HA 1 18 VAL H 0.000 . 2.430 2.019 1.823 2.356 . 0 0 "[ . 1 . 2]" 1
532 1 13 SER HA 1 14 GLU H 0.000 . 2.860 2.437 2.072 2.881 0.021 18 0 "[ . 1 . 2]" 1
533 1 19 ILE H 1 73 LEU HA 0.000 . 3.730 2.469 2.211 2.680 . 0 0 "[ . 1 . 2]" 1
534 1 19 ILE HA 1 20 ALA H 0.000 . 2.400 2.118 2.010 2.166 . 0 0 "[ . 1 . 2]" 1
535 1 59 PHE HA 1 62 ASP H 0.000 . 3.920 3.232 2.993 3.429 . 0 0 "[ . 1 . 2]" 1
536 1 22 HIS H 1 23 THR H 0.000 . 3.550 2.116 1.966 2.229 . 0 0 "[ . 1 . 2]" 1
537 1 23 THR H 1 26 THR H 0.000 . 4.420 4.076 3.816 4.418 . 0 0 "[ . 1 . 2]" 1
538 1 24 VAL H 1 25 GLU H 0.000 . 3.390 2.459 2.315 2.600 . 0 0 "[ . 1 . 2]" 1
539 1 25 GLU H 1 26 THR H 0.000 . 3.550 2.791 2.665 2.891 . 0 0 "[ . 1 . 2]" 1
540 1 26 THR H 1 27 TRP H 0.000 . 3.330 2.594 2.485 2.694 . 0 0 "[ . 1 . 2]" 1
541 1 23 THR H 1 27 TRP H 0.000 . 4.100 4.122 4.053 4.155 0.055 15 0 "[ . 1 . 2]" 1
542 1 27 TRP H 1 28 ASN H 0.000 . 3.550 2.849 2.736 2.957 . 0 0 "[ . 1 . 2]" 1
543 1 28 ASN H 1 29 GLU H 0.000 . 3.550 2.644 2.551 2.776 . 0 0 "[ . 1 . 2]" 1
544 1 26 THR HB 1 27 TRP H 0.000 . 3.420 2.577 2.483 2.777 . 0 0 "[ . 1 . 2]" 1
545 1 26 THR H 1 26 THR HB 0.000 . 3.020 2.553 2.505 2.669 . 0 0 "[ . 1 . 2]" 1
546 1 23 THR HB 1 25 GLU H 0.000 . 3.640 2.442 2.143 2.882 . 0 0 "[ . 1 . 2]" 1
547 1 30 GLN H 1 31 LEU H 0.000 . 3.390 2.740 2.603 2.862 . 0 0 "[ . 1 . 2]" 1
548 1 27 TRP HA 1 30 GLN H 0.000 . 4.320 3.808 3.316 4.333 0.013 11 0 "[ . 1 . 2]" 1
549 1 33 LYS H 1 34 ALA H 0.000 . 3.140 2.734 2.619 2.846 . 0 0 "[ . 1 . 2]" 1
550 1 35 ASN H 1 36 GLU H 0.000 . 3.390 2.579 2.465 2.689 . 0 0 "[ . 1 . 2]" 1
551 1 36 GLU H 1 37 SER H 0.000 . 3.330 2.793 2.731 2.876 . 0 0 "[ . 1 . 2]" 1
552 1 38 LYS H 1 39 THR H 0.000 . 3.390 2.698 2.513 2.906 . 0 0 "[ . 1 . 2]" 1
553 1 40 LEU HA 1 41 VAL H 0.000 . 3.140 2.315 2.221 2.426 . 0 0 "[ . 1 . 2]" 1
554 1 41 VAL H 1 98 LEU H 0.000 . 3.980 3.831 3.492 4.040 0.060 12 0 "[ . 1 . 2]" 1
555 1 42 VAL H 1 72 PHE HA 0.000 . 4.230 2.766 2.597 3.052 . 0 0 "[ . 1 . 2]" 1
556 1 41 VAL HA 1 42 VAL H 0.000 . 2.680 2.184 2.133 2.277 . 0 0 "[ . 1 . 2]" 1
557 1 44 ASP H 1 74 LYS HA 0.000 . 3.730 3.083 2.465 3.515 . 0 0 "[ . 1 . 2]" 1
558 1 43 VAL HA 1 44 ASP H 0.000 . 3.360 2.133 2.067 2.326 . 0 0 "[ . 1 . 2]" 1
559 1 45 PHE H 1 95 PHE HA 0.000 . 4.630 3.412 3.074 3.696 . 0 0 "[ . 1 . 2]" 1
560 1 44 ASP HA 1 45 PHE H 0.000 . 2.650 2.188 2.072 2.281 . 0 0 "[ . 1 . 2]" 1
561 1 46 THR H 1 76 ASP HA 0.000 . 4.070 3.108 2.731 3.628 . 0 0 "[ . 1 . 2]" 1
562 1 45 PHE HA 1 46 THR H 0.000 . 3.270 2.174 2.122 2.230 . 0 0 "[ . 1 . 2]" 1
563 1 46 THR H 1 77 THR H 0.000 . 4.720 3.185 2.692 3.629 . 0 0 "[ . 1 . 2]" 1
564 1 46 THR HA 1 47 ALA H 0.000 . 3.420 2.486 2.244 2.587 . 0 0 "[ . 1 . 2]" 1
565 1 48 SER H 1 49 TRP H 0.000 . 3.730 2.710 2.553 2.876 . 0 0 "[ . 1 . 2]" 1
566 1 47 ALA HA 1 48 SER H 0.000 . 3.210 2.193 2.096 2.319 . 0 0 "[ . 1 . 2]" 1
567 1 53 CYS H 1 54 ARG H 0.000 . 3.580 2.587 2.437 2.720 . 0 0 "[ . 1 . 2]" 1
568 1 55 PHE H 1 56 ILE H 0.000 . 3.760 2.606 2.452 2.742 . 0 0 "[ . 1 . 2]" 1
569 1 60 PHE H 1 61 ALA H 0.000 . 3.520 2.531 2.462 2.611 . 0 0 "[ . 1 . 2]" 1
570 1 58 PRO HA 1 61 ALA H 0.000 . 4.010 3.472 3.228 3.848 . 0 0 "[ . 1 . 2]" 1
571 1 63 LEU H 1 64 ALA H 0.000 . 3.420 2.756 2.623 2.838 . 0 0 "[ . 1 . 2]" 1
572 1 64 ALA H 1 65 LYS H 0.000 . 3.480 2.657 2.517 2.799 . 0 0 "[ . 1 . 2]" 1
573 1 65 LYS H 1 66 LYS H 0.000 . 3.270 2.425 2.295 2.657 . 0 0 "[ . 1 . 2]" 1
574 1 62 ASP HA 1 65 LYS H 0.000 . 3.300 3.310 3.086 3.381 0.081 6 0 "[ . 1 . 2]" 1
575 1 69 ASN H 1 70 VAL H 0.000 . 3.390 2.417 1.951 3.282 . 0 0 "[ . 1 . 2]" 1
576 1 70 VAL HA 1 71 LEU H 0.000 . 2.650 2.180 2.089 2.255 . 0 0 "[ . 1 . 2]" 1
577 1 41 VAL HA 1 71 LEU H 0.000 . 4.070 2.754 2.348 3.352 . 0 0 "[ . 1 . 2]" 1
578 1 42 VAL H 1 71 LEU H 0.000 . 4.600 4.079 3.674 4.383 . 0 0 "[ . 1 . 2]" 1
579 1 71 LEU HA 1 72 PHE H 0.000 . 3.580 2.166 2.076 2.287 . 0 0 "[ . 1 . 2]" 1
580 1 72 PHE HA 1 73 LEU H 0.000 . 2.430 2.142 2.026 2.240 . 0 0 "[ . 1 . 2]" 1
581 1 43 VAL HA 1 73 LEU H 0.000 . 4.350 2.684 2.424 3.335 . 0 0 "[ . 1 . 2]" 1
582 1 21 CYS H 1 74 LYS H 0.000 . 4.010 3.514 3.301 4.014 0.004 17 0 "[ . 1 . 2]" 1
583 1 73 LEU HA 1 74 LYS H 0.000 . 2.650 2.180 2.093 2.274 . 0 0 "[ . 1 . 2]" 1
584 1 20 ALA HA 1 74 LYS H 0.000 . 3.760 2.545 2.282 2.798 . 0 0 "[ . 1 . 2]" 1
585 1 74 LYS HA 1 75 VAL H 0.000 . 3.080 2.145 2.053 2.222 . 0 0 "[ . 1 . 2]" 1
586 1 107 VAL HA 1 108 VAL H 0.000 . 3.080 2.166 2.134 2.233 . 0 0 "[ . 1 . 2]" 1
587 1 77 THR H 1 78 ASP H 0.000 . 3.670 2.634 2.471 2.744 . 0 0 "[ . 1 . 2]" 1
588 1 78 ASP H 1 79 GLU H 0.000 . 2.990 2.305 2.086 2.501 . 0 0 "[ . 1 . 2]" 1
589 1 76 ASP HA 1 77 THR H 0.000 . 3.020 2.060 1.925 2.159 . 0 0 "[ . 1 . 2]" 1
590 1 47 ALA HA 1 77 THR H 0.000 . 4.450 3.116 2.566 3.695 . 0 0 "[ . 1 . 2]" 1
591 1 80 LEU H 1 81 LYS H 0.000 . 3.950 3.440 3.107 3.780 . 0 0 "[ . 1 . 2]" 1
592 1 80 LEU HA 1 81 LYS H 0.000 . 3.360 2.443 2.268 2.682 . 0 0 "[ . 1 . 2]" 1
593 1 82 SER H 1 83 VAL H 0.000 . 3.520 2.574 2.370 2.779 . 0 0 "[ . 1 . 2]" 1
594 1 81 LYS H 1 82 SER H 0.000 . 3.420 2.653 2.516 2.936 . 0 0 "[ . 1 . 2]" 1
595 1 84 ALA H 1 85 SER H 0.000 . 3.390 2.730 2.582 2.899 . 0 0 "[ . 1 . 2]" 1
596 1 83 VAL H 1 84 ALA H 0.000 . 3.210 2.572 2.410 2.714 . 0 0 "[ . 1 . 2]" 1
597 1 81 LYS HA 1 84 ALA H 0.000 . 4.170 3.462 3.039 4.090 . 0 0 "[ . 1 . 2]" 1
598 1 82 SER H 1 84 ALA H 0.000 . 4.570 4.078 3.869 4.433 . 0 0 "[ . 1 . 2]" 1
599 1 85 SER H 1 86 ASP H 0.000 . 3.420 2.597 2.447 2.757 . 0 0 "[ . 1 . 2]" 1
600 1 86 ASP H 1 87 TRP H 0.000 . 3.480 2.572 2.426 2.715 . 0 0 "[ . 1 . 2]" 1
601 1 87 TRP H 1 87 TRP HA 0.000 . 2.800 2.862 2.838 2.885 0.085 14 0 "[ . 1 . 2]" 1
602 1 85 SER HA 1 89 ILE H 0.000 . 4.350 3.431 2.534 3.919 . 0 0 "[ . 1 . 2]" 1
603 1 90 GLN H 1 91 ALA H 0.000 . 3.140 2.042 1.622 2.348 . 0 0 "[ . 1 . 2]" 1
604 1 91 ALA HA 1 92 MET H 0.000 . 3.140 2.166 2.048 2.280 . 0 0 "[ . 1 . 2]" 1
605 1 45 PHE H 1 94 THR H 0.000 . 4.170 3.069 2.838 3.408 . 0 0 "[ . 1 . 2]" 1
606 1 93 PRO HA 1 94 THR H 0.000 . 3.300 2.305 2.226 2.420 . 0 0 "[ . 1 . 2]" 1
607 1 92 MET HA 1 94 THR H 0.000 . 3.790 3.194 3.090 3.314 . 0 0 "[ . 1 . 2]" 1
608 1 94 THR HA 1 95 PHE H 0.000 . 2.400 2.175 2.137 2.224 . 0 0 "[ . 1 . 2]" 1
609 1 95 PHE HA 1 96 MET H 0.000 . 2.590 2.145 2.102 2.183 . 0 0 "[ . 1 . 2]" 1
610 1 97 PHE H 1 106 LYS HA 0.000 . 3.360 2.793 2.606 3.142 . 0 0 "[ . 1 . 2]" 1
611 1 97 PHE HA 1 98 LEU H 0.000 . 2.490 2.168 2.122 2.227 . 0 0 "[ . 1 . 2]" 1
612 1 42 VAL HA 1 98 LEU H 0.000 . 4.450 3.047 2.761 3.543 . 0 0 "[ . 1 . 2]" 1
613 1 98 LEU HA 1 99 LYS H 0.000 . 2.550 2.470 2.413 2.500 . 0 0 "[ . 1 . 2]" 1
614 1 101 GLY H 1 102 LYS H 0.000 . 3.610 2.512 2.334 2.763 . 0 0 "[ . 1 . 2]" 1
615 1 100 GLU H 1 101 GLY H 0.000 . 4.010 2.603 2.520 2.794 . 0 0 "[ . 1 . 2]" 1
616 1 99 LYS HA 1 101 GLY H 0.000 . 4.760 3.512 3.166 3.901 . 0 0 "[ . 1 . 2]" 1
617 1 102 LYS HA 1 103 ILE H 0.000 . 2.520 2.205 2.144 2.354 . 0 0 "[ . 1 . 2]" 1
618 1 97 PHE H 1 105 ASP H 0.000 . 3.980 3.417 3.271 3.535 . 0 0 "[ . 1 . 2]" 1
619 1 105 ASP HA 1 106 LYS H 0.000 . 3.360 2.281 2.222 2.338 . 0 0 "[ . 1 . 2]" 1
620 1 106 LYS HA 1 107 VAL H 0.000 . 2.520 2.210 2.119 2.284 . 0 0 "[ . 1 . 2]" 1
621 1 109 GLY HA2 1 110 ALA H 0.000 . 3.550 2.303 2.185 2.444 . 0 0 "[ . 1 . 2]" 1
622 1 110 ALA HA 1 111 LYS H 0.000 . 2.990 2.099 2.056 2.137 . 0 0 "[ . 1 . 2]" 1
623 1 111 LYS HA 1 112 LYS H 0.000 . 2.960 2.245 2.155 2.385 . 0 0 "[ . 1 . 2]" 1
624 1 113 ASP H 1 114 GLU H 0.000 . 3.110 2.648 2.510 2.864 . 0 0 "[ . 1 . 2]" 1
625 1 111 LYS HA 1 113 ASP H 0.000 . 4.320 4.087 3.786 4.280 . 0 0 "[ . 1 . 2]" 1
626 1 115 LEU H 1 116 GLN H 0.000 . 3.020 2.623 2.524 2.771 . 0 0 "[ . 1 . 2]" 1
627 1 116 GLN H 1 117 SER H 0.000 . 2.960 2.754 2.647 2.820 . 0 0 "[ . 1 . 2]" 1
628 1 113 ASP HA 1 116 GLN H 0.000 . 4.350 3.628 3.402 4.030 . 0 0 "[ . 1 . 2]" 1
629 1 119 ILE H 1 120 ALA H 0.000 . 3.390 2.682 2.586 2.778 . 0 0 "[ . 1 . 2]" 1
630 1 121 LYS H 1 122 HIS H 0.000 . 3.270 2.633 2.555 2.700 . 0 0 "[ . 1 . 2]" 1
631 1 122 HIS H 1 123 LEU H 0.000 . 2.990 2.549 2.332 2.703 . 0 0 "[ . 1 . 2]" 1
632 1 123 LEU HA 1 124 ALA H 0.000 . 2.860 2.288 2.074 3.056 0.196 13 0 "[ . 1 . 2]" 1
633 1 120 ALA HA 1 123 LEU H 0.000 . 2.900 2.958 2.916 3.022 0.122 15 0 "[ . 1 . 2]" 1
634 1 123 LEU H 1 123 LEU HB2 0.000 . 3.080 2.101 1.930 2.275 . 0 0 "[ . 1 . 2]" 1
635 1 119 ILE HA 1 122 HIS H 0.000 . 4.200 3.437 3.201 3.582 . 0 0 "[ . 1 . 2]" 1
636 1 122 HIS H 1 122 HIS HB2 0.000 . 3.420 2.301 2.242 2.370 . 0 0 "[ . 1 . 2]" 1
637 1 121 LYS HB3 1 122 HIS H 0.000 . 3.450 2.482 2.150 3.487 0.037 3 0 "[ . 1 . 2]" 1
638 1 115 LEU HB2 1 116 GLN H 0.000 . 3.360 3.483 3.456 3.513 0.153 15 0 "[ . 1 . 2]" 1
639 1 112 LYS HA 1 115 LEU H 0.000 . 4.350 3.862 3.450 4.344 . 0 0 "[ . 1 . 2]" 1
640 1 115 LEU H 1 115 LEU HB3 0.000 . 2.930 2.566 2.514 2.605 . 0 0 "[ . 1 . 2]" 1
641 1 103 ILE H 1 103 ILE HB 0.000 . 2.800 2.527 2.416 2.573 . 0 0 "[ . 1 . 2]" 1
642 1 105 ASP H 1 105 ASP HB2 0.000 . 3.700 3.778 2.767 3.889 0.189 14 0 "[ . 1 . 2]" 1
643 1 105 ASP H 1 105 ASP HB3 0.000 . 3.700 3.615 3.485 3.806 0.106 4 0 "[ . 1 . 2]" 1
644 1 105 ASP HB2 1 106 LYS H 0.000 . 3.520 2.394 2.213 3.599 0.079 4 0 "[ . 1 . 2]" 1
645 1 107 VAL H 1 107 VAL HB 0.000 . 3.020 2.637 2.550 2.726 . 0 0 "[ . 1 . 2]" 1
646 1 76 ASP H 1 76 ASP HB2 0.000 . 3.140 2.719 2.556 3.435 0.295 14 0 "[ . 1 . 2]" 1
647 1 76 ASP H 1 76 ASP HB3 0.000 . 3.140 2.522 2.354 2.766 . 0 0 "[ . 1 . 2]" 1
648 1 109 GLY HA3 1 110 ALA H 0.000 . 3.550 2.983 2.795 3.252 . 0 0 "[ . 1 . 2]" 1
649 1 111 LYS H 1 111 LYS HB3 0.000 . 3.580 3.598 2.621 3.671 0.091 13 0 "[ . 1 . 2]" 1
650 1 112 LYS H 1 112 LYS HB2 0.000 . 3.240 2.414 2.190 2.517 . 0 0 "[ . 1 . 2]" 1
651 1 112 LYS HB2 1 113 ASP H 0.000 . 3.920 3.676 2.521 3.952 0.032 12 0 "[ . 1 . 2]" 1
652 1 112 LYS HB3 1 113 ASP H 0.000 . 3.920 2.583 2.323 3.421 . 0 0 "[ . 1 . 2]" 1
653 1 100 GLU HA 1 101 GLY H 0.000 . 2.990 2.941 2.661 3.045 0.055 6 0 "[ . 1 . 2]" 1
654 1 96 MET HB2 1 97 PHE H 0.000 . 4.200 4.230 4.207 4.258 0.058 4 0 "[ . 1 . 2]" 1
655 1 96 MET H 1 96 MET HB2 0.000 . 3.360 2.982 2.839 3.056 . 0 0 "[ . 1 . 2]" 1
656 1 95 PHE H 1 95 PHE HB3 0.000 . 3.420 3.550 3.530 3.566 0.146 14 0 "[ . 1 . 2]" 1
657 1 94 THR H 1 94 THR HB 0.000 . 3.270 2.580 2.460 3.126 . 0 0 "[ . 1 . 2]" 1
658 1 93 PRO HB2 1 94 THR H 0.000 . 3.890 2.958 2.890 3.177 . 0 0 "[ . 1 . 2]" 1
659 1 93 PRO HB3 1 94 THR H 0.000 . 3.890 3.758 3.317 3.867 . 0 0 "[ . 1 . 2]" 1
660 1 92 MET H 1 92 MET HB2 0.000 . 3.640 2.512 2.355 2.618 . 0 0 "[ . 1 . 2]" 1
661 1 90 GLN HB2 1 91 ALA H 0.000 . 4.380 3.639 2.595 4.128 . 0 0 "[ . 1 . 2]" 1
662 1 89 ILE HA 1 90 GLN H 0.000 . 2.680 2.134 2.004 2.259 . 0 0 "[ . 1 . 2]" 1
663 1 88 ALA HA 1 89 ILE H 0.000 . 3.390 2.671 2.158 3.021 . 0 0 "[ . 1 . 2]" 1
664 1 87 TRP H 1 87 TRP HB2 0.000 . 3.920 2.356 2.293 2.473 . 0 0 "[ . 1 . 2]" 1
665 1 85 SER QB 1 86 ASP H 0.000 . 4.360 2.834 2.524 3.630 . 0 0 "[ . 1 . 2]" 1
666 1 83 VAL HA 1 86 ASP H 0.000 . 3.610 3.289 3.000 3.541 . 0 0 "[ . 1 . 2]" 1
667 1 86 ASP H 1 86 ASP HB2 0.000 . 3.300 2.558 2.475 2.676 . 0 0 "[ . 1 . 2]" 1
668 1 86 ASP H 1 86 ASP HB3 0.000 . 3.300 2.523 2.443 2.595 . 0 0 "[ . 1 . 2]" 1
669 1 83 VAL HB 1 84 ALA H 0.000 . 2.960 2.581 2.401 2.821 . 0 0 "[ . 1 . 2]" 1
670 1 83 VAL H 1 83 VAL HB 0.000 . 2.900 2.542 2.488 2.599 . 0 0 "[ . 1 . 2]" 1
671 1 82 SER H 1 82 SER HB2 0.000 . 3.670 2.750 2.435 3.547 . 0 0 "[ . 1 . 2]" 1
672 1 81 LYS QB 1 82 SER H 0.000 . 4.980 2.896 2.378 3.699 . 0 0 "[ . 1 . 2]" 1
673 1 81 LYS H 1 81 LYS QB 0.000 . 3.870 2.371 2.005 2.718 . 0 0 "[ . 1 . 2]" 1
674 1 79 GLU H 1 79 GLU HB2 0.000 . 3.300 2.248 2.033 2.436 . 0 0 "[ . 1 . 2]" 1
675 1 78 ASP H 1 78 ASP HB3 0.000 . 3.170 2.547 2.387 3.409 0.239 9 0 "[ . 1 . 2]" 1
676 1 76 ASP HA 1 78 ASP H 0.000 . 4.350 3.642 3.356 3.956 . 0 0 "[ . 1 . 2]" 1
677 1 76 ASP HB2 1 77 THR H 0.000 . 4.850 4.249 3.190 4.450 . 0 0 "[ . 1 . 2]" 1
678 1 76 ASP HB3 1 77 THR H 0.000 . 4.850 4.143 3.916 4.311 . 0 0 "[ . 1 . 2]" 1
679 1 75 VAL H 1 75 VAL HB 0.000 . 2.930 2.586 2.486 2.759 . 0 0 "[ . 1 . 2]" 1
680 1 74 LYS H 1 74 LYS HB3 0.000 . 3.300 2.974 2.496 3.512 0.212 2 0 "[ . 1 . 2]" 1
681 1 73 LEU HB2 1 74 LYS H 0.000 . 4.350 3.977 3.701 4.228 . 0 0 "[ . 1 . 2]" 1
682 1 70 VAL HB 1 71 LEU H 0.000 . 4.450 4.109 4.016 4.199 . 0 0 "[ . 1 . 2]" 1
683 1 71 LEU H 1 71 LEU HB2 0.000 . 3.390 2.456 2.273 2.752 . 0 0 "[ . 1 . 2]" 1
684 1 70 VAL H 1 70 VAL HB 0.000 . 2.900 2.588 2.465 2.757 . 0 0 "[ . 1 . 2]" 1
685 1 67 LEU HA 1 69 ASN H 0.000 . 4.760 3.639 3.115 4.360 . 0 0 "[ . 1 . 2]" 1
686 1 64 ALA HA 1 67 LEU H 0.000 . 3.670 3.579 3.177 3.725 0.055 2 0 "[ . 1 . 2]" 1
687 1 67 LEU H 1 67 LEU HB2 0.000 . 3.520 2.546 2.387 3.552 0.032 5 0 "[ . 1 . 2]" 1
688 1 66 LYS QB 1 67 LEU H 0.000 . 5.070 2.845 2.558 3.419 . 0 0 "[ . 1 . 2]" 1
689 1 65 LYS HA 1 66 LYS H 0.000 . 3.450 3.463 3.376 3.518 0.068 9 0 "[ . 1 . 2]" 1
690 1 61 ALA HA 1 64 ALA H 0.000 . 3.640 3.269 3.064 3.473 . 0 0 "[ . 1 . 2]" 1
691 1 63 LEU HB2 1 64 ALA H 0.000 . 3.700 2.772 2.332 3.756 0.056 18 0 "[ . 1 . 2]" 1
692 1 63 LEU HB3 1 64 ALA H 0.000 . 3.700 3.146 2.273 3.585 . 0 0 "[ . 1 . 2]" 1
693 1 60 PHE HA 1 63 LEU H 0.000 . 4.140 3.259 3.133 3.466 . 0 0 "[ . 1 . 2]" 1
694 1 62 ASP HB3 1 63 LEU H 0.000 . 3.450 2.306 2.169 2.491 . 0 0 "[ . 1 . 2]" 1
695 1 62 ASP H 1 62 ASP HB3 0.000 . 2.930 2.533 2.461 2.587 . 0 0 "[ . 1 . 2]" 1
696 1 60 PHE HA 1 61 ALA H 0.000 . 3.480 3.487 3.477 3.496 0.016 14 0 "[ . 1 . 2]" 1
697 1 60 PHE HB2 1 61 ALA H 0.000 . 4.170 3.903 3.849 4.003 . 0 0 "[ . 1 . 2]" 1
698 1 60 PHE HB3 1 61 ALA H 0.000 . 4.170 2.736 2.669 2.801 . 0 0 "[ . 1 . 2]" 1
699 1 59 PHE H 1 59 PHE HB2 0.000 . 3.270 2.606 2.413 2.723 . 0 0 "[ . 1 . 2]" 1
700 1 59 PHE H 1 59 PHE HB3 0.000 . 3.270 2.544 2.391 2.638 . 0 0 "[ . 1 . 2]" 1
701 1 58 PRO HB2 1 59 PHE H 0.000 . 4.100 2.938 2.542 3.285 . 0 0 "[ . 1 . 2]" 1
702 1 56 ILE HB 1 57 ALA H 0.000 . 4.290 4.138 4.050 4.274 . 0 0 "[ . 1 . 2]" 1
703 1 48 SER HA 1 49 TRP H 0.000 . 3.520 3.457 3.384 3.520 0.000 4 0 "[ . 1 . 2]" 1
704 1 47 ALA H 1 50 CYS QB 0.000 . 5.380 3.253 2.168 5.029 . 0 0 "[ . 1 . 2]" 1
705 1 53 CYS H 1 53 CYS HB3 0.000 . 3.890 3.486 2.455 3.590 . 0 0 "[ . 1 . 2]" 1
706 1 31 LEU H 1 32 GLN H 0.000 . 3.270 2.602 2.497 2.703 . 0 0 "[ . 1 . 2]" 1
707 1 30 GLN HB2 1 31 LEU H 0.000 . 3.580 2.754 2.465 3.157 . 0 0 "[ . 1 . 2]" 1
708 1 30 GLN HB3 1 31 LEU H 0.000 . 3.580 3.585 3.421 3.654 0.074 19 0 "[ . 1 . 2]" 1
709 1 54 ARG H 1 54 ARG HA 0.000 . 2.860 2.843 2.807 2.867 0.007 15 0 "[ . 1 . 2]" 1
710 1 43 VAL H 1 97 PHE HA 0.000 . 4.660 3.711 3.538 3.933 . 0 0 "[ . 1 . 2]" 1
711 1 42 VAL HB 1 43 VAL H 0.000 . 4.660 4.146 4.043 4.280 . 0 0 "[ . 1 . 2]" 1
712 1 41 VAL HB 1 42 VAL H 0.000 . 4.380 4.084 4.024 4.148 . 0 0 "[ . 1 . 2]" 1
713 1 40 LEU H 1 70 VAL HA 0.000 . 4.660 3.954 3.337 4.673 0.013 16 0 "[ . 1 . 2]" 1
714 1 39 THR HB 1 40 LEU H 0.000 . 3.480 3.633 3.601 3.650 0.170 15 0 "[ . 1 . 2]" 1
715 1 40 LEU H 1 40 LEU HB2 0.000 . 3.110 2.634 2.467 3.439 0.329 15 0 "[ . 1 . 2]" 1
716 1 40 LEU H 1 40 LEU HB3 0.000 . 3.110 2.492 2.340 2.676 . 0 0 "[ . 1 . 2]" 1
717 1 34 ALA HA 1 39 THR H 0.000 . 4.380 3.083 2.445 3.475 . 0 0 "[ . 1 . 2]" 1
718 1 39 THR H 1 39 THR HB 0.000 . 2.830 2.577 2.506 2.667 . 0 0 "[ . 1 . 2]" 1
719 1 38 LYS H 1 38 LYS HA 0.000 . 2.620 2.232 2.148 2.281 . 0 0 "[ . 1 . 2]" 1
720 1 33 LYS H 1 33 LYS HA 0.000 . 2.830 2.803 2.760 2.836 0.006 19 0 "[ . 1 . 2]" 1
721 1 28 ASN HB2 1 29 GLU H 0.000 . 3.760 3.763 3.664 3.815 0.055 8 0 "[ . 1 . 2]" 1
722 1 31 LEU HB3 1 32 GLN H 0.000 . 3.300 3.337 3.307 3.369 0.069 13 0 "[ . 1 . 2]" 1
723 1 35 ASN H 1 35 ASN HB2 0.000 . 2.930 2.343 2.246 2.422 . 0 0 "[ . 1 . 2]" 1
724 1 24 VAL HA 1 28 ASN H 0.000 . 4.380 3.773 3.639 3.871 . 0 0 "[ . 1 . 2]" 1
725 1 24 VAL HA 1 27 TRP H 0.000 . 3.300 3.215 2.966 3.336 0.036 1 0 "[ . 1 . 2]" 1
726 1 25 GLU HB2 1 26 THR H 0.000 . 3.640 3.272 2.318 3.697 0.057 2 0 "[ . 1 . 2]" 1
727 1 25 GLU HB3 1 26 THR H 0.000 . 3.640 2.601 2.206 3.470 . 0 0 "[ . 1 . 2]" 1
728 1 24 VAL H 1 24 VAL HB 0.000 . 2.770 2.599 2.529 2.704 . 0 0 "[ . 1 . 2]" 1
729 1 22 HIS HB2 1 23 THR H 0.000 . 4.600 3.697 3.520 3.840 . 0 0 "[ . 1 . 2]" 1
730 1 22 HIS HB3 1 23 THR H 0.000 . 4.600 4.343 4.263 4.408 . 0 0 "[ . 1 . 2]" 1
731 1 21 CYS HB3 1 23 THR H 0.000 . 3.760 2.907 2.668 3.872 0.112 8 0 "[ . 1 . 2]" 1
732 1 21 CYS H 1 21 CYS HB3 0.000 . 3.420 3.490 3.020 3.561 0.141 7 0 "[ . 1 . 2]" 1
733 1 118 THR H 1 119 ILE H 0.000 . 3.330 2.548 2.429 2.697 . 0 0 "[ . 1 . 2]" 1
734 1 19 ILE H 1 74 LYS H 0.000 . 4.420 3.860 3.415 4.033 . 0 0 "[ . 1 . 2]" 1
735 1 23 THR H 1 24 VAL H 0.000 . 4.570 4.314 4.237 4.387 . 0 0 "[ . 1 . 2]" 1
736 1 34 ALA H 1 35 ASN H 0.000 . 3.330 2.554 2.465 2.647 . 0 0 "[ . 1 . 2]" 1
737 1 43 VAL H 1 96 MET H 0.000 . 3.860 3.152 2.946 3.367 . 0 0 "[ . 1 . 2]" 1
738 1 62 ASP H 1 63 LEU H 0.000 . 3.300 2.479 2.365 2.641 . 0 0 "[ . 1 . 2]" 1
739 1 75 VAL H 1 76 ASP H 0.000 . 4.660 4.250 4.124 4.376 . 0 0 "[ . 1 . 2]" 1
740 1 117 SER HA 1 120 ALA H 0.000 . 3.360 3.387 3.233 3.433 0.073 15 0 "[ . 1 . 2]" 1
741 1 114 GLU QB 1 117 SER H 0.000 . 6.160 4.812 4.578 4.910 . 0 0 "[ . 1 . 2]" 1
742 1 77 THR HB 1 78 ASP H 0.000 . 4.380 4.094 3.084 4.430 0.050 6 0 "[ . 1 . 2]" 1
743 1 35 ASN H 1 36 GLU QB 0.000 . 6.350 4.312 4.130 4.645 . 0 0 "[ . 1 . 2]" 1
744 1 14 GLU H 1 14 GLU HB2 0.000 . 3.360 2.914 2.249 3.518 0.158 9 0 "[ . 1 . 2]" 1
745 1 14 GLU H 1 14 GLU HB3 0.000 . 3.360 2.672 2.295 3.480 0.120 5 0 "[ . 1 . 2]" 1
746 1 17 GLN H 1 17 GLN HB2 0.000 . 4.040 3.619 2.499 3.869 . 0 0 "[ . 1 . 2]" 1
747 1 17 GLN H 1 17 GLN HB3 0.000 . 4.040 3.287 2.922 3.718 . 0 0 "[ . 1 . 2]" 1
748 1 17 GLN HB3 1 18 VAL H 0.000 . 3.450 3.479 2.236 3.661 0.211 5 0 "[ . 1 . 2]" 1
749 1 59 PHE H 1 60 PHE H 0.000 . 3.300 2.491 2.411 2.643 . 0 0 "[ . 1 . 2]" 1
750 1 33 LYS QB 1 34 ALA H 0.000 . 4.140 2.574 2.405 2.791 . 0 0 "[ . 1 . 2]" 1
751 1 79 GLU HB3 1 80 LEU H 0.000 . 3.080 2.931 1.765 3.170 0.090 9 0 "[ . 1 . 2]" 1
752 1 45 PHE HA 1 75 VAL H 0.000 . 3.550 3.066 2.751 3.297 . 0 0 "[ . 1 . 2]" 1
753 1 21 CYS H 1 75 VAL HA 0.000 . 3.830 3.293 2.671 3.829 . 0 0 "[ . 1 . 2]" 1
754 1 44 ASP H 1 73 LEU H 0.000 . 4.070 3.625 3.302 4.022 . 0 0 "[ . 1 . 2]" 1
755 1 44 ASP HA 1 96 MET H 0.000 . 4.850 3.437 2.909 3.788 . 0 0 "[ . 1 . 2]" 1
756 1 99 LYS H 1 102 LYS H 0.000 . 3.640 3.025 2.858 3.195 . 0 0 "[ . 1 . 2]" 1
757 1 48 SER HA 1 50 CYS H 0.000 . 4.720 3.670 3.423 4.135 . 0 0 "[ . 1 . 2]" 1
758 1 61 ALA H 1 62 ASP H 0.000 . 3.480 2.522 2.407 2.628 . 0 0 "[ . 1 . 2]" 1
759 1 72 PHE HB2 1 73 LEU H 0.000 . 3.760 3.883 3.852 3.928 0.168 14 0 "[ . 1 . 2]" 1
760 1 84 ALA HA 1 89 ILE H 0.000 . 4.380 3.804 3.362 4.343 . 0 0 "[ . 1 . 2]" 1
761 1 37 SER H 1 37 SER HB2 0.000 . 3.520 2.430 2.375 2.709 . 0 0 "[ . 1 . 2]" 1
762 1 95 PHE H 1 107 VAL H 0.000 . 4.010 3.050 2.785 3.342 . 0 0 "[ . 1 . 2]" 1
763 1 117 SER QB 1 118 THR H 0.000 . 4.420 2.632 2.426 2.776 . 0 0 "[ . 1 . 2]" 1
764 1 82 SER HA 1 85 SER H 0.000 . 3.420 3.428 3.319 3.497 0.077 13 0 "[ . 1 . 2]" 1
765 1 94 THR HA 1 109 GLY H 0.000 . 4.540 2.931 2.563 3.423 . 0 0 "[ . 1 . 2]" 1
766 1 18 VAL HA 1 72 PHE H 0.000 . 4.880 3.774 3.421 4.210 . 0 0 "[ . 1 . 2]" 1
767 1 84 ALA HA 1 87 TRP H 0.000 . 4.570 3.606 3.160 3.860 . 0 0 "[ . 1 . 2]" 1
768 1 123 LEU H 1 123 LEU HB3 0.000 . 3.080 2.820 2.254 3.352 0.272 20 0 "[ . 1 . 2]" 1
769 1 27 TRP HD1 1 28 ASN H 0.000 . 4.660 3.536 3.147 3.878 . 0 0 "[ . 1 . 2]" 1
770 1 49 TRP H 1 49 TRP HD1 0.000 . 3.480 2.873 2.321 3.194 . 0 0 "[ . 1 . 2]" 1
771 1 60 PHE QD 1 61 ALA H 0.000 . 7.620 3.847 3.684 4.043 . 0 0 "[ . 1 . 2]" 1
772 1 70 VAL H 1 72 PHE QE 0.000 . 7.620 3.764 3.445 4.511 . 0 0 "[ . 1 . 2]" 1
773 1 97 PHE QD 1 107 VAL H 0.000 . 7.620 3.461 3.219 3.815 . 0 0 "[ . 1 . 2]" 1
774 1 97 PHE QD 1 105 ASP H 0.000 . 7.620 4.638 4.474 4.795 . 0 0 "[ . 1 . 2]" 1
775 1 122 HIS H 1 122 HIS HD2 0.000 . 5.500 2.836 2.721 3.005 . 0 0 "[ . 1 . 2]" 1
776 1 123 LEU H 1 123 LEU HG 0.000 . 4.040 3.847 2.200 4.228 0.188 4 0 "[ . 1 . 2]" 1
777 1 115 LEU HG 1 116 GLN H 0.000 . 4.760 3.636 3.499 3.759 . 0 0 "[ . 1 . 2]" 1
778 1 104 LEU H 1 104 LEU HG 0.000 . 3.520 2.950 2.794 3.271 . 0 0 "[ . 1 . 2]" 1
779 1 97 PHE HB2 1 105 ASP H 0.000 . 4.380 2.865 2.626 3.104 . 0 0 "[ . 1 . 2]" 1
780 1 97 PHE HB3 1 105 ASP H 0.000 . 4.380 3.836 3.477 4.099 . 0 0 "[ . 1 . 2]" 1
781 1 104 LEU HG 1 105 ASP H 0.000 . 5.500 4.300 4.171 4.492 . 0 0 "[ . 1 . 2]" 1
782 1 111 LYS H 1 111 LYS HG3 0.000 . 4.320 3.275 2.700 4.457 0.137 9 0 "[ . 1 . 2]" 1
783 1 112 LYS H 1 112 LYS HG2 0.000 . 4.320 4.291 3.651 4.396 0.076 20 0 "[ . 1 . 2]" 1
784 1 113 ASP H 1 114 GLU QG 0.000 . 6.380 6.156 4.273 6.395 0.015 5 0 "[ . 1 . 2]" 1
785 1 43 VAL HB 1 96 MET H 0.000 . 4.010 3.592 3.423 3.962 . 0 0 "[ . 1 . 2]" 1
786 1 95 PHE H 1 107 VAL HB 0.000 . 4.690 3.124 2.651 3.698 . 0 0 "[ . 1 . 2]" 1
787 1 45 PHE HB2 1 94 THR H 0.000 . 5.500 2.677 2.266 3.214 . 0 0 "[ . 1 . 2]" 1
788 1 45 PHE HB3 1 94 THR H 0.000 . 5.500 3.995 3.617 4.535 . 0 0 "[ . 1 . 2]" 1
789 1 92 MET H 1 92 MET HG3 0.000 . 5.340 2.895 2.397 3.754 . 0 0 "[ . 1 . 2]" 1
790 1 68 PRO HD2 1 69 ASN H 0.000 . 4.540 2.640 2.052 3.147 . 0 0 "[ . 1 . 2]" 1
791 1 68 PRO HD3 1 69 ASN H 0.000 . 5.500 3.851 3.444 4.156 . 0 0 "[ . 1 . 2]" 1
792 1 68 PRO HG2 1 69 ASN H 0.000 . 5.500 2.832 2.218 3.858 . 0 0 "[ . 1 . 2]" 1
793 1 68 PRO HG3 1 69 ASN H 0.000 . 5.500 4.140 3.842 4.809 . 0 0 "[ . 1 . 2]" 1
794 1 67 LEU H 1 68 PRO HD2 0.000 . 5.500 4.639 4.010 5.300 . 0 0 "[ . 1 . 2]" 1
795 1 67 LEU H 1 68 PRO HD3 0.000 . 5.000 4.011 3.577 4.590 . 0 0 "[ . 1 . 2]" 1
796 1 67 LEU H 1 67 LEU HG 0.000 . 4.200 3.409 2.616 4.090 . 0 0 "[ . 1 . 2]" 1
797 1 65 LYS H 1 65 LYS HG3 0.000 . 5.440 4.406 2.382 4.690 . 0 0 "[ . 1 . 2]" 1
798 1 63 LEU HG 1 64 ALA H 0.000 . 5.500 4.391 3.194 4.995 . 0 0 "[ . 1 . 2]" 1
799 1 58 PRO HD3 1 59 PHE H 0.000 . 4.660 3.959 3.657 4.265 . 0 0 "[ . 1 . 2]" 1
800 1 54 ARG H 1 54 ARG HG2 0.000 . 4.540 4.437 4.356 4.526 . 0 0 "[ . 1 . 2]" 1
801 1 52 PRO HD2 1 53 CYS H 0.000 . 4.690 2.876 2.582 3.283 . 0 0 "[ . 1 . 2]" 1
802 1 52 PRO HG2 1 53 CYS H 0.000 . 5.500 3.220 2.474 4.191 . 0 0 "[ . 1 . 2]" 1
803 1 52 PRO HG3 1 53 CYS H 0.000 . 5.500 4.246 3.979 4.618 . 0 0 "[ . 1 . 2]" 1
804 1 40 LEU HG 1 41 VAL H 0.000 . 4.630 3.481 2.933 4.834 0.204 15 0 "[ . 1 . 2]" 1
805 1 40 LEU H 1 99 LYS QE 0.000 . 6.380 5.952 4.594 6.407 0.027 4 0 "[ . 1 . 2]" 1
806 1 30 GLN H 1 31 LEU HG 0.000 . 5.500 4.495 4.288 4.648 . 0 0 "[ . 1 . 2]" 1
807 1 32 GLN QG 1 33 LYS H 0.000 . 6.380 3.588 2.533 3.986 . 0 0 "[ . 1 . 2]" 1
808 1 33 LYS H 1 33 LYS HG2 0.000 . 5.500 4.367 2.600 4.635 . 0 0 "[ . 1 . 2]" 1
809 1 33 LYS H 1 33 LYS HG3 0.000 . 5.500 4.439 3.860 4.607 . 0 0 "[ . 1 . 2]" 1
810 1 119 ILE H 1 119 ILE HG13 0.000 . 4.290 2.587 2.053 3.701 . 0 0 "[ . 1 . 2]" 1
811 1 19 ILE H 1 19 ILE HG12 0.000 . 4.910 3.547 2.406 4.277 . 0 0 "[ . 1 . 2]" 1
812 1 44 ASP H 1 60 PHE QE 0.000 . 7.620 3.868 3.557 4.561 . 0 0 "[ . 1 . 2]" 1
813 1 44 ASP H 1 60 PHE QD 0.000 . 7.620 5.410 4.921 6.245 . 0 0 "[ . 1 . 2]" 1
814 1 115 LEU HG 1 117 SER H 0.000 . 5.500 5.546 5.513 5.590 0.090 5 0 "[ . 1 . 2]" 1
815 1 98 LEU QB 1 103 ILE H 0.000 . 6.380 3.903 3.498 4.621 . 0 0 "[ . 1 . 2]" 1
816 1 99 LYS HG3 1 100 GLU H 0.000 . 5.130 3.259 2.932 3.503 . 0 0 "[ . 1 . 2]" 1
817 1 19 ILE HB 1 74 LYS H 0.000 . 5.500 4.252 3.954 4.615 . 0 0 "[ . 1 . 2]" 1
818 1 11 MET H 1 11 MET HG2 0.000 . 5.500 3.948 2.110 4.985 . 0 0 "[ . 1 . 2]" 1
819 1 11 MET H 1 11 MET HG3 0.000 . 5.500 3.786 2.355 4.601 . 0 0 "[ . 1 . 2]" 1
820 1 11 MET HG2 1 12 ALA H 0.000 . 5.500 4.547 3.221 5.556 0.056 13 0 "[ . 1 . 2]" 1
821 1 17 GLN QG 1 18 VAL H 0.000 . 6.220 4.084 3.403 4.555 . 0 0 "[ . 1 . 2]" 1
822 1 57 ALA H 1 58 PRO HD3 0.000 . 3.640 3.020 2.650 3.630 . 0 0 "[ . 1 . 2]" 1
823 1 57 ALA H 1 58 PRO HD2 0.000 . 3.640 2.697 2.204 3.026 . 0 0 "[ . 1 . 2]" 1
824 1 59 PHE QE 1 116 GLN H 0.000 . 7.620 4.744 3.667 5.772 . 0 0 "[ . 1 . 2]" 1
825 1 27 TRP HE1 1 87 TRP HE1 0.000 . 5.380 2.270 1.834 2.770 . 0 0 "[ . 1 . 2]" 1
826 1 94 THR H 1 94 THR HG1 0.000 . 5.500 2.976 2.740 4.609 . 0 0 "[ . 1 . 2]" 1
827 1 91 ALA H 1 94 THR HG1 0.000 . 5.500 4.236 3.614 5.563 0.063 17 0 "[ . 1 . 2]" 1
828 1 115 LEU MD1 1 116 GLN H 0.000 . 6.530 4.369 4.306 4.427 . 0 0 "[ . 1 . 2]" 1
829 1 115 LEU MD2 1 116 GLN H 0.000 . 6.530 4.041 3.903 4.163 . 0 0 "[ . 1 . 2]" 1
830 1 116 GLN H 1 119 ILE MD 0.000 . 6.530 4.451 3.735 5.554 . 0 0 "[ . 1 . 2]" 1
831 1 106 LYS H 1 118 THR MG 0.000 . 6.530 5.000 4.101 5.424 . 0 0 "[ . 1 . 2]" 1
832 1 75 VAL MG1 1 76 ASP H 0.000 . 5.660 2.883 2.529 3.044 . 0 0 "[ . 1 . 2]" 1
833 1 56 ILE MD 1 111 LYS H 0.000 . 5.940 4.126 3.531 4.452 . 0 0 "[ . 1 . 2]" 1
834 1 56 ILE MD 1 112 LYS H 0.000 . 4.950 4.232 3.484 4.932 . 0 0 "[ . 1 . 2]" 1
835 1 99 LYS H 1 104 LEU MD2 0.000 . 6.530 3.743 3.533 4.169 . 0 0 "[ . 1 . 2]" 1
836 1 99 LYS H 1 104 LEU MD1 0.000 . 6.530 3.626 3.224 3.926 . 0 0 "[ . 1 . 2]" 1
837 1 97 PHE H 1 103 ILE MG 0.000 . 6.530 4.412 3.929 4.930 . 0 0 "[ . 1 . 2]" 1
838 1 94 THR MG 1 96 MET H 0.000 . 6.530 3.945 3.484 4.468 . 0 0 "[ . 1 . 2]" 1
839 1 89 ILE MD 1 96 MET H 0.000 . 6.530 5.708 5.209 6.081 . 0 0 "[ . 1 . 2]" 1
840 1 89 ILE MG 1 94 THR H 0.000 . 6.530 3.657 3.217 4.086 . 0 0 "[ . 1 . 2]" 1
841 1 91 ALA MB 1 92 MET H 0.000 . 4.230 2.968 2.661 3.206 . 0 0 "[ . 1 . 2]" 1
842 1 89 ILE MD 1 90 GLN H 0.000 . 5.690 4.115 3.647 5.396 . 0 0 "[ . 1 . 2]" 1
843 1 87 TRP H 1 88 ALA MB 0.000 . 6.530 4.772 4.611 4.929 . 0 0 "[ . 1 . 2]" 1
844 1 87 TRP H 1 89 ILE MD 0.000 . 5.290 4.919 3.994 5.317 0.027 9 0 "[ . 1 . 2]" 1
845 1 83 VAL MG1 1 84 ALA H 0.000 . 6.250 3.447 3.264 3.552 . 0 0 "[ . 1 . 2]" 1
846 1 83 VAL MG2 1 84 ALA H 0.000 . 6.250 3.789 3.687 3.957 . 0 0 "[ . 1 . 2]" 1
847 1 77 THR H 1 77 THR MG 0.000 . 4.050 2.361 1.947 3.653 . 0 0 "[ . 1 . 2]" 1
848 1 47 ALA MB 1 77 THR H 0.000 . 6.530 3.534 3.027 4.434 . 0 0 "[ . 1 . 2]" 1
849 1 73 LEU MD2 1 74 LYS H 0.000 . 6.530 4.175 3.033 4.565 . 0 0 "[ . 1 . 2]" 1
850 1 69 ASN HD22 1 70 VAL MG1 0.000 . 9.650 6.981 4.938 8.916 . 0 0 "[ . 1 . 2]" 1
851 1 64 ALA MB 1 65 LYS H 0.000 . 4.360 2.705 2.579 2.855 . 0 0 "[ . 1 . 2]" 1
852 1 63 LEU H 1 63 LEU MD2 0.000 . 5.500 3.508 3.059 4.263 . 0 0 "[ . 1 . 2]" 1
853 1 69 ASN HD21 1 70 VAL MG1 0.000 . 9.650 6.523 4.976 7.936 . 0 0 "[ . 1 . 2]" 1
854 1 56 ILE H 1 110 ALA MB 0.000 . 6.530 4.279 3.929 4.821 . 0 0 "[ . 1 . 2]" 1
855 1 56 ILE H 1 56 ILE MG 0.000 . 3.830 2.122 2.018 2.217 . 0 0 "[ . 1 . 2]" 1
856 1 47 ALA MB 1 50 CYS H 0.000 . 6.530 3.151 2.580 3.662 . 0 0 "[ . 1 . 2]" 1
857 1 46 THR H 1 46 THR MG 0.000 . 3.950 2.553 2.078 3.872 . 0 0 "[ . 1 . 2]" 1
858 1 45 PHE H 1 89 ILE MD 0.000 . 6.530 4.727 4.354 5.163 . 0 0 "[ . 1 . 2]" 1
859 1 47 ALA MB 1 49 TRP H 0.000 . 4.480 2.664 2.198 2.888 . 0 0 "[ . 1 . 2]" 1
860 1 43 VAL MG1 1 44 ASP H 0.000 . 6.530 2.631 2.497 2.964 . 0 0 "[ . 1 . 2]" 1
861 1 43 VAL MG2 1 44 ASP H 0.000 . 6.530 4.052 3.937 4.258 . 0 0 "[ . 1 . 2]" 1
862 1 42 VAL MG1 1 43 VAL H 0.000 . 5.230 2.938 2.566 3.948 . 0 0 "[ . 1 . 2]" 1
863 1 41 VAL MG1 1 42 VAL H 0.000 . 6.500 3.913 3.742 3.979 . 0 0 "[ . 1 . 2]" 1
864 1 41 VAL MG2 1 42 VAL H 0.000 . 6.500 2.475 2.312 2.606 . 0 0 "[ . 1 . 2]" 1
865 1 34 ALA MB 1 41 VAL H 0.000 . 6.530 4.290 3.826 4.859 . 0 0 "[ . 1 . 2]" 1
866 1 41 VAL H 1 41 VAL MG2 0.000 . 3.950 3.882 3.854 3.938 . 0 0 "[ . 1 . 2]" 1
867 1 40 LEU H 1 70 VAL MG1 0.000 . 6.530 4.567 3.914 5.229 . 0 0 "[ . 1 . 2]" 1
868 1 40 LEU H 1 70 VAL MG2 0.000 . 6.530 4.271 3.641 5.426 . 0 0 "[ . 1 . 2]" 1
869 1 26 THR MG 1 30 GLN H 0.000 . 6.530 3.990 3.720 4.416 . 0 0 "[ . 1 . 2]" 1
870 1 19 ILE MD 1 30 GLN HE21 0.000 . 6.530 3.886 1.832 5.815 . 0 0 "[ . 1 . 2]" 1
871 1 19 ILE MD 1 30 GLN HE22 0.000 . 6.530 3.789 2.261 5.410 . 0 0 "[ . 1 . 2]" 1
872 1 26 THR MG 1 27 TRP H 0.000 . 6.530 3.572 3.469 3.693 . 0 0 "[ . 1 . 2]" 1
873 1 27 TRP HE1 1 83 VAL MG2 0.000 . 5.100 3.978 3.065 5.125 0.025 6 0 "[ . 1 . 2]" 1
874 1 23 THR MG 1 25 GLU H 0.000 . 6.530 3.879 1.993 4.312 . 0 0 "[ . 1 . 2]" 1
875 1 23 THR MG 1 24 VAL H 0.000 . 6.530 3.555 1.904 3.835 . 0 0 "[ . 1 . 2]" 1
876 1 23 THR H 1 26 THR MG 0.000 . 6.530 4.469 4.246 4.667 . 0 0 "[ . 1 . 2]" 1
877 1 118 THR MG 1 119 ILE H 0.000 . 6.530 3.645 3.478 3.834 . 0 0 "[ . 1 . 2]" 1
878 1 119 ILE H 1 120 ALA MB 0.000 . 6.190 4.356 4.248 4.446 . 0 0 "[ . 1 . 2]" 1
879 1 19 ILE MG 1 20 ALA H 0.000 . 4.260 2.979 2.907 3.055 . 0 0 "[ . 1 . 2]" 1
880 1 18 VAL MG1 1 19 ILE H 0.000 . 5.320 2.897 2.470 4.091 . 0 0 "[ . 1 . 2]" 1
881 1 18 VAL MG2 1 19 ILE H 0.000 . 5.320 3.857 2.535 4.242 . 0 0 "[ . 1 . 2]" 1
882 1 81 LYS H 1 84 ALA MB 0.000 . 6.530 4.674 4.430 5.188 . 0 0 "[ . 1 . 2]" 1
883 1 89 ILE H 1 89 ILE MD 0.000 . 5.100 3.438 3.188 4.129 . 0 0 "[ . 1 . 2]" 1
884 1 90 GLN H 1 91 ALA MB 0.000 . 6.530 3.940 3.453 4.318 . 0 0 "[ . 1 . 2]" 1
885 1 64 ALA MB 1 72 PHE H 0.000 . 6.530 4.326 3.879 5.068 . 0 0 "[ . 1 . 2]" 1
886 1 73 LEU MD1 1 74 LYS H 0.000 . 6.530 4.690 4.381 5.048 . 0 0 "[ . 1 . 2]" 1
887 1 77 THR MG 1 78 ASP H 0.000 . 6.530 3.786 2.660 4.297 . 0 0 "[ . 1 . 2]" 1
888 1 18 VAL H 1 64 ALA MB 0.000 . 5.230 4.097 3.518 4.396 . 0 0 "[ . 1 . 2]" 1
889 1 60 PHE H 1 61 ALA MB 0.000 . 6.530 4.234 4.162 4.303 . 0 0 "[ . 1 . 2]" 1
890 1 46 THR MG 1 75 VAL H 0.000 . 6.530 3.927 3.054 5.841 . 0 0 "[ . 1 . 2]" 1
891 1 83 VAL H 1 84 ALA MB 0.000 . 5.940 4.216 4.054 4.375 . 0 0 "[ . 1 . 2]" 1
892 1 27 TRP HA 1 27 TRP HE3 0.000 . 3.790 2.447 2.252 2.849 . 0 0 "[ . 1 . 2]" 1
893 1 21 CYS HA 1 22 HIS HD2 0.000 . 4.420 3.773 3.220 4.436 0.016 14 0 "[ . 1 . 2]" 1
894 1 27 TRP HD1 1 28 ASN HA 0.000 . 4.230 3.993 3.343 4.247 0.017 13 0 "[ . 1 . 2]" 1
895 1 24 VAL HA 1 27 TRP HD1 0.000 . 3.950 3.405 2.985 3.710 . 0 0 "[ . 1 . 2]" 1
896 1 27 TRP HZ2 1 87 TRP HE1 0.000 . 4.350 2.821 1.741 3.478 . 0 0 "[ . 1 . 2]" 1
897 1 45 PHE QD 1 75 VAL HB 0.000 . 6.880 2.691 2.245 3.215 . 0 0 "[ . 1 . 2]" 1
898 1 45 PHE QE 1 89 ILE HB 0.000 . 7.340 5.560 4.493 6.512 . 0 0 "[ . 1 . 2]" 1
899 1 45 PHE QE 1 96 MET HB2 0.000 . 6.970 2.621 2.107 3.157 . 0 0 "[ . 1 . 2]" 1
900 1 45 PHE QD 1 96 MET HB3 0.000 . 7.620 3.924 3.474 4.332 . 0 0 "[ . 1 . 2]" 1
901 1 45 PHE QD 1 96 MET HB2 0.000 . 7.620 3.588 3.174 3.881 . 0 0 "[ . 1 . 2]" 1
902 1 45 PHE QD 1 94 THR HB 0.000 . 7.400 2.823 2.159 5.079 . 0 0 "[ . 1 . 2]" 1
903 1 44 ASP HA 1 45 PHE QD 0.000 . 7.620 3.846 3.492 4.176 . 0 0 "[ . 1 . 2]" 1
904 1 49 TRP HB3 1 49 TRP HD1 0.000 . 3.580 2.509 2.485 2.559 . 0 0 "[ . 1 . 2]" 1
905 1 95 PHE QE 1 107 VAL HB 0.000 . 7.620 4.786 4.114 5.224 . 0 0 "[ . 1 . 2]" 1
906 1 56 ILE QG 1 95 PHE QE 0.000 . 8.500 2.720 2.384 3.014 . 0 0 "[ . 1 . 2]" 1
907 1 59 PHE QE 1 115 LEU HA 0.000 . 7.000 5.750 5.346 6.084 . 0 0 "[ . 1 . 2]" 1
908 1 59 PHE QE 1 118 THR HB 0.000 . 6.970 6.912 6.096 7.067 0.097 5 0 "[ . 1 . 2]" 1
909 1 59 PHE QE 1 119 ILE HG12 0.000 . 6.750 4.455 3.063 5.130 . 0 0 "[ . 1 . 2]" 1
910 1 59 PHE QE 1 119 ILE HG13 0.000 . 6.750 3.983 1.871 4.582 . 0 0 "[ . 1 . 2]" 1
911 1 42 VAL HB 1 60 PHE QE 0.000 . 7.620 3.827 2.566 4.810 . 0 0 "[ . 1 . 2]" 1
912 1 60 PHE QD 1 72 PHE QD 0.000 . 9.650 4.011 3.560 4.759 . 0 0 "[ . 1 . 2]" 1
913 1 60 PHE QE 1 72 PHE QD 0.000 . 9.740 2.872 2.401 3.789 . 0 0 "[ . 1 . 2]" 1
914 1 60 PHE QD 1 72 PHE QE 0.000 . 9.740 4.675 4.109 6.048 . 0 0 "[ . 1 . 2]" 1
915 1 42 VAL HB 1 72 PHE QD 0.000 . 6.880 2.807 2.101 4.862 . 0 0 "[ . 1 . 2]" 1
916 1 64 ALA HA 1 72 PHE QE 0.000 . 6.350 2.454 2.240 2.773 . 0 0 "[ . 1 . 2]" 1
917 1 70 VAL HB 1 72 PHE QE 0.000 . 5.700 2.380 2.035 2.749 . 0 0 "[ . 1 . 2]" 1
918 1 67 LEU HB3 1 72 PHE QE 0.000 . 6.290 3.199 2.003 3.987 . 0 0 "[ . 1 . 2]" 1
919 1 64 ALA HA 1 72 PHE HZ 0.000 . 3.730 3.464 2.714 3.764 0.034 5 0 "[ . 1 . 2]" 1
920 1 70 VAL HB 1 72 PHE HZ 0.000 . 4.450 3.132 2.627 3.625 . 0 0 "[ . 1 . 2]" 1
921 1 67 LEU HB3 1 72 PHE HZ 0.000 . 4.290 3.529 2.856 4.292 0.002 15 0 "[ . 1 . 2]" 1
922 1 27 TRP HZ2 1 87 TRP HZ2 0.000 . 3.950 2.841 2.134 3.599 . 0 0 "[ . 1 . 2]" 1
923 1 86 ASP H 1 87 TRP HD1 0.000 . 4.630 4.068 3.793 4.436 . 0 0 "[ . 1 . 2]" 1
924 1 87 TRP HA 1 87 TRP HD1 0.000 . 4.630 3.876 3.630 4.309 . 0 0 "[ . 1 . 2]" 1
925 1 83 VAL HA 1 87 TRP HD1 0.000 . 4.070 3.356 2.981 4.073 0.003 2 0 "[ . 1 . 2]" 1
926 1 44 ASP HA 1 95 PHE QD 0.000 . 7.620 3.471 3.077 4.055 . 0 0 "[ . 1 . 2]" 1
927 1 95 PHE QD 1 107 VAL HB 0.000 . 6.720 2.688 2.112 3.143 . 0 0 "[ . 1 . 2]" 1
928 1 121 LYS HB2 1 122 HIS HD2 0.000 . 4.540 3.998 3.039 4.541 0.001 2 0 "[ . 1 . 2]" 1
929 1 121 LYS HB3 1 122 HIS HD2 0.000 . 4.540 2.821 2.362 3.718 . 0 0 "[ . 1 . 2]" 1
930 1 97 PHE QD 1 105 ASP HB3 0.000 . 7.620 5.703 3.974 6.115 . 0 0 "[ . 1 . 2]" 1
931 1 87 TRP HA 1 87 TRP HE3 0.000 . 4.820 3.477 2.692 3.950 . 0 0 "[ . 1 . 2]" 1
932 1 118 THR HB 1 122 HIS HD2 0.000 . 5.000 4.553 4.334 4.922 . 0 0 "[ . 1 . 2]" 1
933 1 97 PHE QD 1 106 LYS HA 0.000 . 7.090 2.800 2.414 3.609 . 0 0 "[ . 1 . 2]" 1
934 1 45 PHE QD 1 46 THR H 0.000 . 7.620 4.445 4.291 4.657 . 0 0 "[ . 1 . 2]" 1
935 1 104 LEU HB2 1 122 HIS HE1 0.000 . 5.040 2.664 2.202 3.108 . 0 0 "[ . 1 . 2]" 1
936 1 55 PHE QD 1 56 ILE HB 0.000 . 7.620 3.698 3.376 4.387 . 0 0 "[ . 1 . 2]" 1
937 1 56 ILE HB 1 95 PHE HZ 0.000 . 5.160 3.851 3.158 4.567 . 0 0 "[ . 1 . 2]" 1
938 1 56 ILE HB 1 95 PHE QE 0.000 . 7.620 4.520 4.244 4.779 . 0 0 "[ . 1 . 2]" 1
939 1 20 ALA MB 1 22 HIS HE1 0.000 . 4.640 4.121 3.222 4.652 0.012 15 0 "[ . 1 . 2]" 1
940 1 20 ALA MB 1 22 HIS HD2 0.000 . 5.290 3.339 2.744 3.996 . 0 0 "[ . 1 . 2]" 1
941 1 27 TRP HD1 1 83 VAL MG1 0.000 . 5.130 3.440 2.535 4.182 . 0 0 "[ . 1 . 2]" 1
942 1 27 TRP HD1 1 83 VAL MG2 0.000 . 5.130 3.383 2.448 4.371 . 0 0 "[ . 1 . 2]" 1
943 1 27 TRP HZ3 1 43 VAL MG1 0.000 . 5.260 2.097 1.899 2.528 . 0 0 "[ . 1 . 2]" 1
944 1 45 PHE QD 1 94 THR MG 0.000 . 8.150 2.902 2.125 3.382 . 0 0 "[ . 1 . 2]" 1
945 1 45 PHE HZ 1 89 ILE MD 0.000 . 5.600 4.091 3.417 4.843 . 0 0 "[ . 1 . 2]" 1
946 1 47 ALA MB 1 49 TRP HD1 0.000 . 5.410 3.402 2.777 4.081 . 0 0 "[ . 1 . 2]" 1
947 1 49 TRP HZ2 1 92 MET ME 0.000 . 4.330 2.993 1.933 3.820 . 0 0 "[ . 1 . 2]" 1
948 1 47 ALA MB 1 49 TRP HZ2 0.000 . 5.350 3.457 3.221 3.793 . 0 0 "[ . 1 . 2]" 1
949 1 95 PHE QE 1 115 LEU MD2 0.000 . 8.090 3.470 2.963 4.010 . 0 0 "[ . 1 . 2]" 1
950 1 95 PHE QE 1 115 LEU MD1 0.000 . 8.090 3.584 3.278 4.127 . 0 0 "[ . 1 . 2]" 1
951 1 59 PHE QD 1 115 LEU MD2 0.000 . 7.660 2.196 1.953 2.448 . 0 0 "[ . 1 . 2]" 1
952 1 59 PHE QE 1 115 LEU MD1 0.000 . 8.430 4.148 3.486 4.515 . 0 0 "[ . 1 . 2]" 1
953 1 64 ALA MB 1 72 PHE QD 0.000 . 7.350 2.866 2.562 3.090 . 0 0 "[ . 1 . 2]" 1
954 1 64 ALA MB 1 72 PHE QE 0.000 . 7.440 3.666 3.423 3.973 . 0 0 "[ . 1 . 2]" 1
955 1 87 TRP HH2 1 98 LEU MD2 0.000 . 5.630 4.310 2.166 5.597 . 0 0 "[ . 1 . 2]" 1
956 1 83 VAL MG1 1 87 TRP HD1 0.000 . 5.720 2.334 2.029 2.850 . 0 0 "[ . 1 . 2]" 1
957 1 119 ILE MG 1 122 HIS HD2 0.000 . 5.440 5.439 5.238 5.521 0.081 8 0 "[ . 1 . 2]" 1
958 1 118 THR MG 1 122 HIS HD2 0.000 . 3.770 2.300 2.075 2.674 . 0 0 "[ . 1 . 2]" 1
959 1 56 ILE MG 1 95 PHE HZ 0.000 . 3.860 2.013 1.892 2.172 . 0 0 "[ . 1 . 2]" 1
960 1 56 ILE MD 1 95 PHE HZ 0.000 . 4.450 3.735 3.328 4.237 . 0 0 "[ . 1 . 2]" 1
961 1 18 VAL MG1 1 60 PHE QD 0.000 . 6.790 3.019 2.220 4.300 . 0 0 "[ . 1 . 2]" 1
962 1 60 PHE QD 1 63 LEU MD2 0.000 . 8.460 4.669 2.768 5.339 . 0 0 "[ . 1 . 2]" 1
963 1 87 TRP HZ3 1 103 ILE MD 0.000 . 5.600 2.412 1.998 3.619 . 0 0 "[ . 1 . 2]" 1
964 1 97 PHE QD 1 118 THR MG 0.000 . 8.090 2.974 2.740 3.150 . 0 0 "[ . 1 . 2]" 1
965 1 55 PHE QD 1 110 ALA MB 0.000 . 7.810 4.309 3.659 5.274 . 0 0 "[ . 1 . 2]" 1
966 1 49 TRP HH2 1 92 MET ME 0.000 . 4.820 2.897 2.452 3.692 . 0 0 "[ . 1 . 2]" 1
967 1 49 TRP HZ3 1 92 MET ME 0.000 . 6.190 3.734 2.990 4.872 . 0 0 "[ . 1 . 2]" 1
968 1 11 MET H 1 11 MET QG 0.000 . 5.080 3.359 2.077 4.228 . 0 0 "[ . 1 . 2]" 1
969 1 11 MET QG 1 12 ALA H 0.000 . 4.980 3.917 2.845 4.380 . 0 0 "[ . 1 . 2]" 1
970 1 17 GLN H 1 17 GLN QB 0.000 . 3.600 2.996 2.462 3.269 . 0 0 "[ . 1 . 2]" 1
971 1 17 GLN QB 1 18 VAL H 0.000 . 3.280 2.586 2.171 2.861 . 0 0 "[ . 1 . 2]" 1
972 1 18 VAL H 1 18 VAL QG 0.000 . 4.090 2.500 1.973 2.689 . 0 0 "[ . 1 . 2]" 1
973 1 18 VAL HA 1 72 PHE QB 0.000 . 4.200 2.576 2.239 2.902 . 0 0 "[ . 1 . 2]" 1
974 1 18 VAL QG 1 19 ILE H 0.000 . 4.560 2.617 2.451 2.918 . 0 0 "[ . 1 . 2]" 1
975 1 18 VAL QG 1 61 ALA HA 0.000 . 5.360 2.636 1.979 4.198 . 0 0 "[ . 1 . 2]" 1
976 1 18 VAL QG 1 64 ALA MB 0.000 . 6.600 2.320 2.002 3.311 . 0 0 "[ . 1 . 2]" 1
977 1 18 VAL QG 1 72 PHE QB 0.000 . 5.140 2.097 1.789 2.502 . 0 0 "[ . 1 . 2]" 1
978 1 18 VAL MG1 1 72 PHE HB2 0.000 . 6.820 3.129 2.163 4.868 . 0 0 "[ . 1 . 2]" 1
979 1 18 VAL QG 1 74 LYS H 0.000 . 6.230 2.672 2.303 3.268 . 0 0 "[ . 1 . 2]" 1
980 1 19 ILE H 1 19 ILE QG 0.000 . 4.400 2.982 2.346 3.597 . 0 0 "[ . 1 . 2]" 1
981 1 19 ILE MG 1 30 GLN QG 0.000 . 6.040 2.459 1.960 3.534 . 0 0 "[ . 1 . 2]" 1
982 1 19 ILE QG 1 20 ALA H 0.000 . 6.380 4.357 4.036 4.758 . 0 0 "[ . 1 . 2]" 1
983 1 19 ILE MD 1 30 GLN QG 0.000 . 5.980 4.254 2.875 6.003 0.023 16 0 "[ . 1 . 2]" 1
984 1 19 ILE MD 1 30 GLN QE 0.000 . 6.060 3.371 1.796 4.774 . 0 0 "[ . 1 . 2]" 1
985 1 20 ALA HA 1 74 LYS QB 0.000 . 3.850 2.306 1.865 2.863 . 0 0 "[ . 1 . 2]" 1
986 1 21 CYS H 1 21 CYS QB 0.000 . 3.160 2.514 2.403 2.908 . 0 0 "[ . 1 . 2]" 1
987 1 21 CYS H 1 74 LYS QB 0.000 . 6.100 3.924 3.320 4.579 . 0 0 "[ . 1 . 2]" 1
988 1 21 CYS H 1 75 VAL QG 0.000 . 8.090 3.425 2.791 4.092 . 0 0 "[ . 1 . 2]" 1
989 1 21 CYS QB 1 26 THR MG 0.000 . 6.480 3.124 2.291 3.452 . 0 0 "[ . 1 . 2]" 1
990 1 21 CYS QB 1 27 TRP H 0.000 . 5.420 3.017 2.735 3.450 . 0 0 "[ . 1 . 2]" 1
991 1 21 CYS QB 1 75 VAL QG 0.000 . 6.300 2.702 2.011 3.907 . 0 0 "[ . 1 . 2]" 1
992 1 21 CYS HB2 1 75 VAL MG1 0.000 . 8.070 3.649 2.691 5.049 . 0 0 "[ . 1 . 2]" 1
993 1 21 CYS HB3 1 75 VAL MG1 0.000 . 8.070 4.839 3.823 5.885 . 0 0 "[ . 1 . 2]" 1
994 1 21 CYS QB 1 80 LEU QD 0.000 . 6.660 2.790 2.088 3.486 . 0 0 "[ . 1 . 2]" 1
995 1 21 CYS HB2 1 80 LEU MD1 0.000 . 8.430 3.668 2.453 5.634 . 0 0 "[ . 1 . 2]" 1
996 1 21 CYS HB3 1 80 LEU MD1 0.000 . 8.430 3.970 2.818 5.558 . 0 0 "[ . 1 . 2]" 1
997 1 22 HIS QB 1 23 THR H 0.000 . 4.440 3.503 3.363 3.602 . 0 0 "[ . 1 . 2]" 1
998 1 23 THR H 1 80 LEU QD 0.000 . 6.300 2.790 2.303 3.536 . 0 0 "[ . 1 . 2]" 1
999 1 23 THR HA 1 80 LEU QD 0.000 . 5.120 2.551 2.078 3.208 . 0 0 "[ . 1 . 2]" 1
1000 1 24 VAL H 1 24 VAL QG 0.000 . 4.280 2.101 1.989 2.181 . 0 0 "[ . 1 . 2]" 1
1001 1 24 VAL H 1 80 LEU QD 0.000 . 6.210 3.029 2.496 3.948 . 0 0 "[ . 1 . 2]" 1
1002 1 24 VAL HA 1 27 TRP QB 0.000 . 2.920 2.032 1.860 2.265 . 0 0 "[ . 1 . 2]" 1
1003 1 24 VAL HA 1 80 LEU QD 0.000 . 5.590 2.833 2.439 3.452 . 0 0 "[ . 1 . 2]" 1
1004 1 24 VAL HB 1 80 LEU QD 0.000 . 6.830 3.275 2.042 4.561 . 0 0 "[ . 1 . 2]" 1
1005 1 24 VAL QG 1 25 GLU H 0.000 . 7.280 2.697 2.440 3.487 . 0 0 "[ . 1 . 2]" 1
1006 1 24 VAL QG 1 27 TRP HD1 0.000 . 6.510 2.249 2.004 2.634 . 0 0 "[ . 1 . 2]" 1
1007 1 24 VAL QG 1 28 ASN H 0.000 . 8.090 3.391 3.191 3.541 . 0 0 "[ . 1 . 2]" 1
1008 1 24 VAL QG 1 28 ASN QD 0.000 . 6.010 4.018 3.312 4.707 . 0 0 "[ . 1 . 2]" 1
1009 1 24 VAL MG1 1 28 ASN HD21 0.000 . 7.690 5.080 3.471 6.013 . 0 0 "[ . 1 . 2]" 1
1010 1 24 VAL MG1 1 28 ASN HD22 0.000 . 7.690 6.332 4.801 7.288 . 0 0 "[ . 1 . 2]" 1
1011 1 24 VAL QG 1 80 LEU QD 0.000 . 8.300 3.057 2.063 4.002 . 0 0 "[ . 1 . 2]" 1
1012 1 24 VAL QG 1 83 VAL QG 0.000 . 8.910 2.329 1.770 2.767 . 0 0 "[ . 1 . 2]" 1
1013 1 25 GLU H 1 25 GLU QB 0.000 . 2.970 2.233 2.133 2.444 . 0 0 "[ . 1 . 2]" 1
1014 1 25 GLU HA 1 25 GLU QG 0.000 . 3.420 2.622 2.427 3.094 . 0 0 "[ . 1 . 2]" 1
1015 1 25 GLU HA 1 28 ASN QB 0.000 . 4.150 3.083 2.646 3.705 . 0 0 "[ . 1 . 2]" 1
1016 1 25 GLU HA 1 28 ASN QD 0.000 . 5.130 4.563 3.679 5.223 0.093 10 0 "[ . 1 . 2]" 1
1017 1 25 GLU QB 1 25 GLU QG 0.000 . 2.450 2.035 1.981 2.093 . 0 0 "[ . 1 . 2]" 1
1018 1 25 GLU QB 1 26 THR H 0.000 . 3.440 2.267 2.188 2.373 . 0 0 "[ . 1 . 2]" 1
1019 1 26 THR HA 1 29 GLU QB 0.000 . 3.780 2.513 2.153 2.996 . 0 0 "[ . 1 . 2]" 1
1020 1 26 THR MG 1 30 GLN QG 0.000 . 5.420 2.565 2.167 3.675 . 0 0 "[ . 1 . 2]" 1
1021 1 27 TRP H 1 75 VAL QG 0.000 . 8.090 5.323 4.844 6.073 . 0 0 "[ . 1 . 2]" 1
1022 1 27 TRP H 1 80 LEU QD 0.000 . 7.970 4.130 3.606 4.922 . 0 0 "[ . 1 . 2]" 1
1023 1 27 TRP QB 1 28 ASN H 0.000 . 4.270 2.380 2.294 2.512 . 0 0 "[ . 1 . 2]" 1
1024 1 27 TRP QB 1 80 LEU QD 0.000 . 6.350 2.883 2.000 3.888 . 0 0 "[ . 1 . 2]" 1
1025 1 27 TRP HB2 1 80 LEU MD2 0.000 . 8.120 3.868 2.063 4.833 . 0 0 "[ . 1 . 2]" 1
1026 1 27 TRP HB3 1 80 LEU MD2 0.000 . 8.120 4.430 2.769 5.659 . 0 0 "[ . 1 . 2]" 1
1027 1 27 TRP HD1 1 83 VAL QG 0.000 . 4.600 2.932 2.370 3.484 . 0 0 "[ . 1 . 2]" 1
1028 1 27 TRP HE3 1 43 VAL QG 0.000 . 7.340 3.648 3.408 3.934 . 0 0 "[ . 1 . 2]" 1
1029 1 27 TRP HE3 1 73 LEU QB 0.000 . 5.670 3.783 3.334 4.262 . 0 0 "[ . 1 . 2]" 1
1030 1 27 TRP HE3 1 73 LEU QD 0.000 . 6.730 2.585 2.121 3.372 . 0 0 "[ . 1 . 2]" 1
1031 1 27 TRP HE3 1 75 VAL QG 0.000 . 6.290 2.709 2.210 3.101 . 0 0 "[ . 1 . 2]" 1
1032 1 27 TRP HE1 1 31 LEU QD 0.000 . 6.670 2.856 2.513 3.491 . 0 0 "[ . 1 . 2]" 1
1033 1 27 TRP HE1 1 83 VAL QG 0.000 . 4.630 2.701 2.200 3.406 . 0 0 "[ . 1 . 2]" 1
1034 1 27 TRP HZ3 1 43 VAL QG 0.000 . 4.350 1.966 1.787 2.284 . 0 0 "[ . 1 . 2]" 1
1035 1 27 TRP HZ3 1 73 LEU QD 0.000 . 6.550 2.568 2.077 3.404 . 0 0 "[ . 1 . 2]" 1
1036 1 27 TRP HZ3 1 83 VAL QG 0.000 . 6.600 5.053 4.263 6.476 . 0 0 "[ . 1 . 2]" 1
1037 1 27 TRP HZ2 1 31 LEU QD 0.000 . 4.600 2.649 2.391 2.888 . 0 0 "[ . 1 . 2]" 1
1038 1 27 TRP HH2 1 31 LEU QD 0.000 . 6.580 3.002 2.742 3.714 . 0 0 "[ . 1 . 2]" 1
1039 1 27 TRP HH2 1 43 VAL QG 0.000 . 5.390 1.949 1.790 2.130 . 0 0 "[ . 1 . 2]" 1
1040 1 27 TRP HH2 1 73 LEU QD 0.000 . 7.420 4.226 3.684 4.817 . 0 0 "[ . 1 . 2]" 1
1041 1 28 ASN H 1 29 GLU QG 0.000 . 6.380 6.236 6.141 6.380 0.000 5 0 "[ . 1 . 2]" 1
1042 1 28 ASN HA 1 28 ASN QB 0.000 . 2.720 2.378 2.353 2.405 . 0 0 "[ . 1 . 2]" 1
1043 1 28 ASN HA 1 31 LEU QB 0.000 . 3.990 2.874 2.637 3.163 . 0 0 "[ . 1 . 2]" 1
1044 1 28 ASN HA 1 31 LEU QD 0.000 . 6.520 2.786 2.306 3.127 . 0 0 "[ . 1 . 2]" 1
1045 1 28 ASN QB 1 29 GLU H 0.000 . 3.500 2.454 2.305 2.563 . 0 0 "[ . 1 . 2]" 1
1046 1 29 GLU HA 1 29 GLU QG 0.000 . 3.420 2.581 2.439 2.979 . 0 0 "[ . 1 . 2]" 1
1047 1 29 GLU QB 1 30 GLN H 0.000 . 4.400 2.507 2.384 2.708 . 0 0 "[ . 1 . 2]" 1
1048 1 30 GLN H 1 30 GLN QG 0.000 . 3.520 2.408 2.057 3.429 . 0 0 "[ . 1 . 2]" 1
1049 1 30 GLN HA 1 30 GLN QB 0.000 . 2.600 2.370 2.313 2.451 . 0 0 "[ . 1 . 2]" 1
1050 1 30 GLN QB 1 31 LEU HG 0.000 . 4.740 3.545 3.244 3.886 . 0 0 "[ . 1 . 2]" 1
1051 1 30 GLN QB 1 32 GLN H 0.000 . 5.390 4.716 4.544 4.931 . 0 0 "[ . 1 . 2]" 1
1052 1 30 GLN QB 1 73 LEU QD 0.000 . 6.520 2.001 1.830 2.439 . 0 0 "[ . 1 . 2]" 1
1053 1 30 GLN HB2 1 73 LEU MD2 0.000 . 8.150 2.559 2.058 3.424 . 0 0 "[ . 1 . 2]" 1
1054 1 30 GLN HB3 1 73 LEU MD2 0.000 . 8.150 2.277 1.937 2.929 . 0 0 "[ . 1 . 2]" 1
1055 1 30 GLN QG 1 31 LEU H 0.000 . 6.380 4.316 4.012 4.774 . 0 0 "[ . 1 . 2]" 1
1056 1 31 LEU H 1 31 LEU QB 0.000 . 2.910 2.117 2.065 2.162 . 0 0 "[ . 1 . 2]" 1
1057 1 31 LEU HA 1 31 LEU QB 0.000 . 2.600 2.355 2.343 2.370 . 0 0 "[ . 1 . 2]" 1
1058 1 31 LEU HA 1 31 LEU QD 0.000 . 4.200 2.023 1.996 2.040 . 0 0 "[ . 1 . 2]" 1
1059 1 31 LEU HA 1 73 LEU QD 0.000 . 6.670 4.261 3.685 5.071 . 0 0 "[ . 1 . 2]" 1
1060 1 31 LEU QB 1 32 GLN H 0.000 . 3.020 2.350 2.299 2.439 . 0 0 "[ . 1 . 2]" 1
1061 1 31 LEU QD 1 87 TRP HZ2 0.000 . 6.760 2.634 2.063 3.322 . 0 0 "[ . 1 . 2]" 1
1062 1 32 GLN HA 1 35 ASN QB 0.000 . 2.950 2.656 2.367 2.796 . 0 0 "[ . 1 . 2]" 1
1063 1 32 GLN HA 1 35 ASN QD 0.000 . 6.370 3.938 3.050 5.028 . 0 0 "[ . 1 . 2]" 1
1064 1 33 LYS H 1 33 LYS QG 0.000 . 5.040 3.906 2.562 4.071 . 0 0 "[ . 1 . 2]" 1
1065 1 33 LYS HA 1 33 LYS QG 0.000 . 3.580 2.560 2.434 2.934 . 0 0 "[ . 1 . 2]" 1
1066 1 33 LYS QG 1 34 ALA H 0.000 . 4.800 3.779 3.480 4.453 . 0 0 "[ . 1 . 2]" 1
1067 1 34 ALA MB 1 41 VAL QG 0.000 . 5.430 2.411 2.261 2.712 . 0 0 "[ . 1 . 2]" 1
1068 1 35 ASN H 1 35 ASN QB 0.000 . 2.730 2.169 2.116 2.196 . 0 0 "[ . 1 . 2]" 1
1069 1 35 ASN HA 1 35 ASN QB 0.000 . 2.740 2.420 2.384 2.446 . 0 0 "[ . 1 . 2]" 1
1070 1 35 ASN QB 1 36 GLU QB 0.000 . 6.880 3.499 3.314 4.080 . 0 0 "[ . 1 . 2]" 1
1071 1 36 GLU H 1 36 GLU QG 0.000 . 4.690 3.804 2.180 4.098 . 0 0 "[ . 1 . 2]" 1
1072 1 37 SER H 1 37 SER QB 0.000 . 3.330 2.374 2.299 2.425 . 0 0 "[ . 1 . 2]" 1
1073 1 37 SER HA 1 37 SER QB 0.000 . 2.670 2.335 2.304 2.374 . 0 0 "[ . 1 . 2]" 1
1074 1 38 LYS H 1 38 LYS QG 0.000 . 4.130 2.793 2.580 3.954 . 0 0 "[ . 1 . 2]" 1
1075 1 38 LYS HA 1 38 LYS QG 0.000 . 3.030 2.378 2.317 2.469 . 0 0 "[ . 1 . 2]" 1
1076 1 40 LEU HA 1 40 LEU QD 0.000 . 4.190 2.951 2.207 3.248 . 0 0 "[ . 1 . 2]" 1
1077 1 40 LEU QB 1 70 VAL QG 0.000 . 6.340 2.463 2.032 3.801 . 0 0 "[ . 1 . 2]" 1
1078 1 40 LEU HB2 1 70 VAL MG1 0.000 . 8.070 4.522 4.099 4.922 . 0 0 "[ . 1 . 2]" 1
1079 1 40 LEU HB3 1 70 VAL MG1 0.000 . 8.070 3.223 2.582 5.135 . 0 0 "[ . 1 . 2]" 1
1080 1 40 LEU HG 1 70 VAL QG 0.000 . 5.950 3.754 2.033 4.205 . 0 0 "[ . 1 . 2]" 1
1081 1 40 LEU QD 1 41 VAL H 0.000 . 5.650 2.500 2.297 3.285 . 0 0 "[ . 1 . 2]" 1
1082 1 40 LEU QD 1 42 VAL H 0.000 . 8.100 3.980 3.624 5.146 . 0 0 "[ . 1 . 2]" 1
1083 1 40 LEU QD 1 70 VAL QG 0.000 . 7.360 1.792 1.662 2.060 . 0 0 "[ . 1 . 2]" 1
1084 1 40 LEU MD1 1 70 VAL MG1 0.000 . 9.370 3.549 3.099 3.820 . 0 0 "[ . 1 . 2]" 1
1085 1 40 LEU MD2 1 70 VAL MG1 0.000 . 9.370 2.046 1.827 3.031 . 0 0 "[ . 1 . 2]" 1
1086 1 40 LEU QD 1 97 PHE QD 0.000 . 7.670 3.705 3.214 4.562 . 0 0 "[ . 1 . 2]" 1
1087 1 40 LEU QD 1 98 LEU H 0.000 . 6.330 3.574 3.232 4.208 . 0 0 "[ . 1 . 2]" 1
1088 1 40 LEU QD 1 99 LYS QB 0.000 . 5.450 2.950 2.397 3.947 . 0 0 "[ . 1 . 2]" 1
1089 1 40 LEU MD1 1 99 LYS HB2 0.000 . 7.090 3.184 2.445 4.943 . 0 0 "[ . 1 . 2]" 1
1090 1 40 LEU MD1 1 99 LYS HB3 0.000 . 7.090 4.456 3.667 5.819 . 0 0 "[ . 1 . 2]" 1
1091 1 40 LEU QD 1 99 LYS QE 0.000 . 8.690 2.960 1.915 3.999 . 0 0 "[ . 1 . 2]" 1
1092 1 41 VAL HA 1 71 LEU QB 0.000 . 4.250 2.814 2.457 3.660 . 0 0 "[ . 1 . 2]" 1
1093 1 41 VAL QG 1 42 VAL H 0.000 . 5.700 2.450 2.291 2.573 . 0 0 "[ . 1 . 2]" 1
1094 1 41 VAL QG 1 43 VAL H 0.000 . 8.090 3.856 3.711 4.117 . 0 0 "[ . 1 . 2]" 1
1095 1 41 VAL QG 1 71 LEU QB 0.000 . 6.850 2.425 2.023 3.351 . 0 0 "[ . 1 . 2]" 1
1096 1 41 VAL MG1 1 71 LEU HB2 0.000 . 8.620 5.093 3.805 6.472 . 0 0 "[ . 1 . 2]" 1
1097 1 41 VAL MG1 1 71 LEU HB3 0.000 . 8.620 4.869 4.101 5.754 . 0 0 "[ . 1 . 2]" 1
1098 1 41 VAL QG 1 98 LEU H 0.000 . 6.600 3.530 3.190 4.039 . 0 0 "[ . 1 . 2]" 1
1099 1 42 VAL H 1 70 VAL QG 0.000 . 6.820 3.070 2.751 3.499 . 0 0 "[ . 1 . 2]" 1
1100 1 42 VAL QG 1 43 VAL H 0.000 . 4.600 2.650 2.529 2.782 . 0 0 "[ . 1 . 2]" 1
1101 1 42 VAL QG 1 60 PHE QD 0.000 . 8.160 3.782 2.909 4.088 . 0 0 "[ . 1 . 2]" 1
1102 1 42 VAL QG 1 60 PHE QE 0.000 . 9.560 2.088 1.888 2.401 . 0 0 "[ . 1 . 2]" 1
1103 1 42 VAL QG 1 95 PHE QB 0.000 . 6.830 3.343 3.055 3.618 . 0 0 "[ . 1 . 2]" 1
1104 1 42 VAL MG2 1 95 PHE HB2 0.000 . 8.780 6.416 4.523 7.341 . 0 0 "[ . 1 . 2]" 1
1105 1 42 VAL MG2 1 95 PHE HB3 0.000 . 8.780 5.186 3.212 6.046 . 0 0 "[ . 1 . 2]" 1
1106 1 42 VAL QG 1 95 PHE QD 0.000 . 9.530 3.587 2.995 4.125 . 0 0 "[ . 1 . 2]" 1
1107 1 42 VAL QG 1 119 ILE QG 0.000 . 6.860 4.999 4.377 5.810 . 0 0 "[ . 1 . 2]" 1
1108 1 42 VAL MG1 1 119 ILE HG12 0.000 . 8.840 6.057 4.990 7.148 . 0 0 "[ . 1 . 2]" 1
1109 1 42 VAL MG1 1 119 ILE HG13 0.000 . 8.840 6.812 6.057 8.368 . 0 0 "[ . 1 . 2]" 1
1110 1 42 VAL QG 1 119 ILE MD 0.000 . 7.810 4.798 3.278 5.937 . 0 0 "[ . 1 . 2]" 1
1111 1 43 VAL H 1 96 MET QB 0.000 . 6.380 3.258 2.988 3.634 . 0 0 "[ . 1 . 2]" 1
1112 1 43 VAL HA 1 73 LEU QB 0.000 . 4.480 2.655 2.238 3.181 . 0 0 "[ . 1 . 2]" 1
1113 1 43 VAL QG 1 44 ASP H 0.000 . 5.380 2.598 2.471 2.904 . 0 0 "[ . 1 . 2]" 1
1114 1 43 VAL QG 1 73 LEU H 0.000 . 8.090 3.447 2.866 4.193 . 0 0 "[ . 1 . 2]" 1
1115 1 43 VAL QG 1 73 LEU QB 0.000 . 4.540 2.061 1.833 2.740 . 0 0 "[ . 1 . 2]" 1
1116 1 43 VAL MG1 1 73 LEU HB2 0.000 . 6.080 2.631 2.227 3.403 . 0 0 "[ . 1 . 2]" 1
1117 1 43 VAL QG 1 96 MET H 0.000 . 8.090 3.964 3.863 4.172 . 0 0 "[ . 1 . 2]" 1
1118 1 43 VAL QG 1 96 MET QB 0.000 . 7.820 3.321 2.991 3.648 . 0 0 "[ . 1 . 2]" 1
1119 1 44 ASP H 1 44 ASP QB 0.000 . 2.980 2.312 2.176 2.616 . 0 0 "[ . 1 . 2]" 1
1120 1 44 ASP H 1 73 LEU QB 0.000 . 6.380 3.695 3.247 4.533 . 0 0 "[ . 1 . 2]" 1
1121 1 44 ASP H 1 74 LYS QB 0.000 . 6.380 4.874 3.768 5.470 . 0 0 "[ . 1 . 2]" 1
1122 1 44 ASP QB 1 74 LYS HA 0.000 . 5.230 2.684 2.153 4.287 . 0 0 "[ . 1 . 2]" 1
1123 1 44 ASP QB 1 95 PHE QD 0.000 . 8.250 2.820 2.190 3.360 . 0 0 "[ . 1 . 2]" 1
1124 1 45 PHE H 1 45 PHE QB 0.000 . 3.190 2.369 2.324 2.491 . 0 0 "[ . 1 . 2]" 1
1125 1 45 PHE QB 1 77 THR MG 0.000 . 4.720 2.845 2.041 3.992 . 0 0 "[ . 1 . 2]" 1
1126 1 45 PHE QB 1 89 ILE MG 0.000 . 4.760 2.216 1.843 3.150 . 0 0 "[ . 1 . 2]" 1
1127 1 45 PHE QB 1 94 THR HB 0.000 . 4.490 2.384 1.931 4.072 . 0 0 "[ . 1 . 2]" 1
1128 1 45 PHE QD 1 75 VAL QG 0.000 . 8.750 2.525 2.167 3.372 . 0 0 "[ . 1 . 2]" 1
1129 1 45 PHE QE 1 75 VAL QG 0.000 . 8.630 2.639 2.352 3.474 . 0 0 "[ . 1 . 2]" 1
1130 1 45 PHE QE 1 96 MET QB 0.000 . 6.780 2.262 2.001 2.638 . 0 0 "[ . 1 . 2]" 1
1131 1 46 THR H 1 75 VAL QG 0.000 . 8.090 4.056 3.662 4.414 . 0 0 "[ . 1 . 2]" 1
1132 1 46 THR HA 1 92 MET QB 0.000 . 4.840 3.006 2.114 3.651 . 0 0 "[ . 1 . 2]" 1
1133 1 46 THR MG 1 76 ASP QB 0.000 . 6.290 4.257 2.820 5.283 . 0 0 "[ . 1 . 2]" 1
1134 1 49 TRP H 1 49 TRP QB 0.000 . 3.410 2.810 2.657 2.915 . 0 0 "[ . 1 . 2]" 1
1135 1 49 TRP QB 1 49 TRP HD1 0.000 . 3.330 2.468 2.445 2.514 . 0 0 "[ . 1 . 2]" 1
1136 1 49 TRP HH2 1 92 MET QG 0.000 . 5.570 5.398 4.738 5.623 0.053 20 0 "[ . 1 . 2]" 1
1137 1 50 CYS QB 1 53 CYS QB 0.000 . 5.840 2.357 1.860 3.800 . 0 0 "[ . 1 . 2]" 1
1138 1 51 GLY H 1 52 PRO QD 0.000 . 5.360 2.362 1.879 2.691 . 0 0 "[ . 1 . 2]" 1
1139 1 52 PRO QB 1 53 CYS H 0.000 . 4.440 2.901 2.443 3.133 . 0 0 "[ . 1 . 2]" 1
1140 1 52 PRO QB 1 55 PHE QB 0.000 . 5.870 3.904 3.684 4.394 . 0 0 "[ . 1 . 2]" 1
1141 1 52 PRO QD 1 53 CYS H 0.000 . 4.450 2.808 2.542 3.165 . 0 0 "[ . 1 . 2]" 1
1142 1 53 CYS H 1 53 CYS QB 0.000 . 3.620 2.462 2.393 2.562 . 0 0 "[ . 1 . 2]" 1
1143 1 53 CYS QB 1 54 ARG H 0.000 . 3.530 2.518 2.157 3.367 . 0 0 "[ . 1 . 2]" 1
1144 1 54 ARG H 1 54 ARG QG 0.000 . 4.360 3.976 3.915 4.047 . 0 0 "[ . 1 . 2]" 1
1145 1 54 ARG HA 1 54 ARG QB 0.000 . 2.620 2.373 2.328 2.450 . 0 0 "[ . 1 . 2]" 1
1146 1 54 ARG HA 1 54 ARG QG 0.000 . 3.310 2.531 2.366 2.893 . 0 0 "[ . 1 . 2]" 1
1147 1 57 ALA MB 1 58 PRO QD 0.000 . 3.860 2.076 1.890 2.290 . 0 0 "[ . 1 . 2]" 1
1148 1 58 PRO QB 1 59 PHE H 0.000 . 3.730 2.872 2.511 3.166 . 0 0 "[ . 1 . 2]" 1
1149 1 58 PRO QD 1 59 PHE H 0.000 . 4.500 2.772 2.365 3.238 . 0 0 "[ . 1 . 2]" 1
1150 1 59 PHE HA 1 62 ASP QB 0.000 . 2.960 2.531 2.257 2.757 . 0 0 "[ . 1 . 2]" 1
1151 1 59 PHE QB 1 60 PHE H 0.000 . 4.300 2.638 2.396 2.856 . 0 0 "[ . 1 . 2]" 1
1152 1 59 PHE QD 1 115 LEU QB 0.000 . 8.500 4.499 4.045 4.974 . 0 0 "[ . 1 . 2]" 1
1153 1 59 PHE QD 1 115 LEU QD 0.000 . 7.360 2.188 1.951 2.439 . 0 0 "[ . 1 . 2]" 1
1154 1 59 PHE QD 1 119 ILE QG 0.000 . 6.210 5.344 3.797 5.688 . 0 0 "[ . 1 . 2]" 1
1155 1 59 PHE QE 1 115 LEU QD 0.000 . 7.300 2.364 1.995 3.420 . 0 0 "[ . 1 . 2]" 1
1156 1 60 PHE HA 1 63 LEU QB 0.000 . 3.370 2.358 2.167 2.515 . 0 0 "[ . 1 . 2]" 1
1157 1 60 PHE HA 1 63 LEU QD 0.000 . 5.800 2.175 1.889 2.864 . 0 0 "[ . 1 . 2]" 1
1158 1 60 PHE QB 1 61 ALA H 0.000 . 3.620 2.686 2.625 2.750 . 0 0 "[ . 1 . 2]" 1
1159 1 60 PHE QD 1 63 LEU QD 0.000 . 7.450 2.602 2.264 3.113 . 0 0 "[ . 1 . 2]" 1
1160 1 60 PHE QD 1 72 PHE QB 0.000 . 8.350 3.893 3.390 4.221 . 0 0 "[ . 1 . 2]" 1
1161 1 60 PHE QE 1 72 PHE QB 0.000 . 8.500 2.359 2.126 2.820 . 0 0 "[ . 1 . 2]" 1
1162 1 62 ASP H 1 63 LEU QB 0.000 . 4.670 4.074 3.817 4.248 . 0 0 "[ . 1 . 2]" 1
1163 1 62 ASP QB 1 63 LEU H 0.000 . 3.280 2.280 2.151 2.450 . 0 0 "[ . 1 . 2]" 1
1164 1 63 LEU H 1 63 LEU QB 0.000 . 3.040 2.183 1.919 2.355 . 0 0 "[ . 1 . 2]" 1
1165 1 63 LEU H 1 63 LEU QD 0.000 . 4.930 3.078 2.137 3.707 . 0 0 "[ . 1 . 2]" 1
1166 1 63 LEU HA 1 63 LEU QD 0.000 . 4.200 2.136 1.946 2.565 . 0 0 "[ . 1 . 2]" 1
1167 1 63 LEU QB 1 64 ALA H 0.000 . 3.440 2.434 2.237 2.577 . 0 0 "[ . 1 . 2]" 1
1168 1 63 LEU QB 1 72 PHE QE 0.000 . 6.780 2.936 1.987 4.061 . 0 0 "[ . 1 . 2]" 1
1169 1 63 LEU QB 1 72 PHE HZ 0.000 . 4.770 3.515 2.774 4.599 . 0 0 "[ . 1 . 2]" 1
1170 1 63 LEU QD 1 64 ALA H 0.000 . 8.100 3.922 3.473 4.115 . 0 0 "[ . 1 . 2]" 1
1171 1 63 LEU QD 1 72 PHE QE 0.000 . 9.910 2.903 2.031 3.835 . 0 0 "[ . 1 . 2]" 1
1172 1 63 LEU QD 1 72 PHE HZ 0.000 . 7.260 3.727 2.074 5.538 . 0 0 "[ . 1 . 2]" 1
1173 1 63 LEU QD 1 95 PHE QB 0.000 . 6.730 5.110 4.612 5.360 . 0 0 "[ . 1 . 2]" 1
1174 1 63 LEU MD2 1 95 PHE HB2 0.000 . 8.610 8.162 6.354 8.703 0.093 13 0 "[ . 1 . 2]" 1
1175 1 63 LEU MD2 1 95 PHE HB3 0.000 . 8.610 7.300 5.442 7.973 . 0 0 "[ . 1 . 2]" 1
1176 1 65 LYS H 1 65 LYS QG 0.000 . 4.780 3.898 2.348 4.118 . 0 0 "[ . 1 . 2]" 1
1177 1 65 LYS HA 1 65 LYS QG 0.000 . 3.290 2.508 2.387 2.738 . 0 0 "[ . 1 . 2]" 1
1178 1 67 LEU H 1 67 LEU QB 0.000 . 3.190 2.383 2.227 2.447 . 0 0 "[ . 1 . 2]" 1
1179 1 67 LEU QB 1 72 PHE HZ 0.000 . 4.120 2.317 1.928 3.609 . 0 0 "[ . 1 . 2]" 1
1180 1 67 LEU QD 1 68 PRO HD2 0.000 . 7.380 3.644 2.688 4.628 . 0 0 "[ . 1 . 2]" 1
1181 1 67 LEU QD 1 68 PRO HD3 0.000 . 7.260 4.127 3.403 4.612 . 0 0 "[ . 1 . 2]" 1
1182 1 67 LEU QD 1 72 PHE QD 0.000 . 10.220 4.632 2.963 5.261 . 0 0 "[ . 1 . 2]" 1
1183 1 67 LEU QD 1 72 PHE QE 0.000 . 8.640 3.160 2.054 3.650 . 0 0 "[ . 1 . 2]" 1
1184 1 67 LEU QD 1 72 PHE HZ 0.000 . 5.680 2.524 1.932 4.882 . 0 0 "[ . 1 . 2]" 1
1185 1 68 PRO QG 1 69 ASN H 0.000 . 5.370 2.774 2.205 3.627 . 0 0 "[ . 1 . 2]" 1
1186 1 69 ASN H 1 70 VAL QG 0.000 . 8.090 3.276 2.249 3.666 . 0 0 "[ . 1 . 2]" 1
1187 1 69 ASN QD 1 70 VAL QG 0.000 . 8.040 4.035 2.360 5.532 . 0 0 "[ . 1 . 2]" 1
1188 1 69 ASN HD21 1 70 VAL MG2 0.000 . 9.650 4.435 2.925 6.277 . 0 0 "[ . 1 . 2]" 1
1189 1 69 ASN HD22 1 70 VAL MG2 0.000 . 9.650 5.077 2.495 6.986 . 0 0 "[ . 1 . 2]" 1
1190 1 70 VAL QG 1 71 LEU H 0.000 . 5.920 2.517 2.409 2.676 . 0 0 "[ . 1 . 2]" 1
1191 1 70 VAL QG 1 72 PHE QD 0.000 . 9.430 3.309 2.907 3.454 . 0 0 "[ . 1 . 2]" 1
1192 1 70 VAL QG 1 72 PHE QE 0.000 . 9.000 2.868 2.676 2.966 . 0 0 "[ . 1 . 2]" 1
1193 1 70 VAL QG 1 72 PHE HZ 0.000 . 7.280 3.014 2.819 3.650 . 0 0 "[ . 1 . 2]" 1
1194 1 71 LEU H 1 71 LEU QB 0.000 . 3.090 2.280 2.230 2.322 . 0 0 "[ . 1 . 2]" 1
1195 1 71 LEU QD 1 72 PHE H 0.000 . 5.900 3.029 2.019 4.324 . 0 0 "[ . 1 . 2]" 1
1196 1 72 PHE H 1 72 PHE QB 0.000 . 3.630 2.526 2.440 2.653 . 0 0 "[ . 1 . 2]" 1
1197 1 72 PHE H 1 73 LEU QD 0.000 . 8.100 3.628 3.102 4.694 . 0 0 "[ . 1 . 2]" 1
1198 1 72 PHE QD 1 73 LEU QD 0.000 . 10.220 5.006 4.761 5.728 . 0 0 "[ . 1 . 2]" 1
1199 1 73 LEU H 1 73 LEU QB 0.000 . 3.530 2.611 2.549 2.675 . 0 0 "[ . 1 . 2]" 1
1200 1 73 LEU QB 1 74 LYS H 0.000 . 3.940 2.750 2.412 3.079 . 0 0 "[ . 1 . 2]" 1
1201 1 73 LEU QD 1 74 LYS H 0.000 . 5.750 3.861 3.005 4.142 . 0 0 "[ . 1 . 2]" 1
1202 1 74 LYS HA 1 74 LYS QB 0.000 . 2.650 2.419 2.294 2.485 . 0 0 "[ . 1 . 2]" 1
1203 1 74 LYS HA 1 74 LYS QG 0.000 . 3.540 2.563 2.069 2.930 . 0 0 "[ . 1 . 2]" 1
1204 1 74 LYS HA 1 74 LYS QD 0.000 . 3.810 2.943 2.057 4.013 0.203 4 0 "[ . 1 . 2]" 1
1205 1 74 LYS QB 1 75 VAL H 0.000 . 5.330 3.656 3.322 3.921 . 0 0 "[ . 1 . 2]" 1
1206 1 74 LYS QG 1 75 VAL H 0.000 . 5.170 3.729 2.678 4.760 . 0 0 "[ . 1 . 2]" 1
1207 1 75 VAL QG 1 76 ASP H 0.000 . 4.870 2.826 2.501 2.985 . 0 0 "[ . 1 . 2]" 1
1208 1 75 VAL QG 1 77 THR HA 0.000 . 6.200 3.266 2.976 3.613 . 0 0 "[ . 1 . 2]" 1
1209 1 75 VAL QG 1 80 LEU QB 0.000 . 4.750 2.339 1.934 2.648 . 0 0 "[ . 1 . 2]" 1
1210 1 75 VAL MG2 1 80 LEU HB3 0.000 . 6.760 5.108 3.942 5.679 . 0 0 "[ . 1 . 2]" 1
1211 1 76 ASP H 1 76 ASP QB 0.000 . 2.950 2.310 2.211 2.361 . 0 0 "[ . 1 . 2]" 1
1212 1 76 ASP HA 1 76 ASP QB 0.000 . 2.640 2.368 2.127 2.428 . 0 0 "[ . 1 . 2]" 1
1213 1 76 ASP QB 1 79 GLU H 0.000 . 4.430 3.066 2.626 3.614 . 0 0 "[ . 1 . 2]" 1
1214 1 76 ASP QB 1 79 GLU QB 0.000 . 5.020 2.393 1.864 3.890 . 0 0 "[ . 1 . 2]" 1
1215 1 76 ASP HB3 1 79 GLU HB2 0.000 . 6.040 2.489 1.964 4.551 . 0 0 "[ . 1 . 2]" 1
1216 1 76 ASP HB3 1 79 GLU HB3 0.000 . 6.040 3.816 2.365 6.102 0.062 14 0 "[ . 1 . 2]" 1
1217 1 77 THR MG 1 92 MET QG 0.000 . 5.080 2.779 2.138 3.495 . 0 0 "[ . 1 . 2]" 1
1218 1 78 ASP QB 1 79 GLU H 0.000 . 3.440 2.416 2.256 2.575 . 0 0 "[ . 1 . 2]" 1
1219 1 80 LEU H 1 80 LEU QB 0.000 . 3.010 2.228 2.160 2.343 . 0 0 "[ . 1 . 2]" 1
1220 1 80 LEU QD 1 81 LYS H 0.000 . 8.100 3.993 3.567 4.353 . 0 0 "[ . 1 . 2]" 1
1221 1 82 SER H 1 82 SER QB 0.000 . 3.500 2.466 2.253 2.582 . 0 0 "[ . 1 . 2]" 1
1222 1 82 SER H 1 83 VAL QG 0.000 . 8.090 3.925 3.687 4.218 . 0 0 "[ . 1 . 2]" 1
1223 1 82 SER HA 1 82 SER QB 0.000 . 2.650 2.307 2.182 2.417 . 0 0 "[ . 1 . 2]" 1
1224 1 82 SER QB 1 83 VAL H 0.000 . 4.520 2.821 2.420 3.536 . 0 0 "[ . 1 . 2]" 1
1225 1 83 VAL H 1 83 VAL QG 0.000 . 4.220 2.122 2.037 2.242 . 0 0 "[ . 1 . 2]" 1
1226 1 83 VAL HA 1 86 ASP QB 0.000 . 3.260 2.555 2.180 2.973 . 0 0 "[ . 1 . 2]" 1
1227 1 83 VAL QG 1 84 ALA H 0.000 . 5.620 3.197 3.073 3.291 . 0 0 "[ . 1 . 2]" 1
1228 1 83 VAL QG 1 84 ALA HA 0.000 . 6.660 3.500 3.391 3.610 . 0 0 "[ . 1 . 2]" 1
1229 1 83 VAL QG 1 84 ALA MB 0.000 . 9.120 3.966 3.838 4.047 . 0 0 "[ . 1 . 2]" 1
1230 1 83 VAL QG 1 87 TRP HD1 0.000 . 4.720 2.325 2.025 2.835 . 0 0 "[ . 1 . 2]" 1
1231 1 83 VAL QG 1 87 TRP HE1 0.000 . 6.540 2.629 2.272 3.049 . 0 0 "[ . 1 . 2]" 1
1232 1 84 ALA HA 1 89 ILE QG 0.000 . 4.150 2.908 2.221 3.408 . 0 0 "[ . 1 . 2]" 1
1233 1 84 ALA MB 1 89 ILE QG 0.000 . 5.950 3.446 2.812 4.064 . 0 0 "[ . 1 . 2]" 1
1234 1 86 ASP H 1 86 ASP QB 0.000 . 3.020 2.261 2.203 2.313 . 0 0 "[ . 1 . 2]" 1
1235 1 86 ASP QB 1 87 TRP HD1 0.000 . 4.400 2.697 2.245 3.421 . 0 0 "[ . 1 . 2]" 1
1236 1 87 TRP H 1 87 TRP QB 0.000 . 3.360 2.327 2.268 2.437 . 0 0 "[ . 1 . 2]" 1
1237 1 87 TRP HA 1 87 TRP QB 0.000 . 2.650 2.411 2.364 2.433 . 0 0 "[ . 1 . 2]" 1
1238 1 87 TRP QB 1 89 ILE QG 0.000 . 6.010 2.323 1.982 2.772 . 0 0 "[ . 1 . 2]" 1
1239 1 87 TRP HZ3 1 98 LEU QD 0.000 . 6.890 3.602 2.016 4.818 . 0 0 "[ . 1 . 2]" 1
1240 1 87 TRP HZ3 1 103 ILE QG 0.000 . 6.220 3.377 2.368 4.097 . 0 0 "[ . 1 . 2]" 1
1241 1 87 TRP HZ2 1 98 LEU QD 0.000 . 7.660 4.982 4.064 6.104 . 0 0 "[ . 1 . 2]" 1
1242 1 87 TRP HH2 1 98 LEU QD 0.000 . 4.960 3.584 2.153 4.485 . 0 0 "[ . 1 . 2]" 1
1243 1 89 ILE H 1 89 ILE QG 0.000 . 3.740 2.406 2.145 2.837 . 0 0 "[ . 1 . 2]" 1
1244 1 89 ILE HA 1 89 ILE QG 0.000 . 3.880 2.931 2.402 3.055 . 0 0 "[ . 1 . 2]" 1
1245 1 90 GLN H 1 90 GLN QB 0.000 . 3.330 2.487 2.230 3.011 . 0 0 "[ . 1 . 2]" 1
1246 1 90 GLN QB 1 91 ALA H 0.000 . 3.900 2.838 2.232 3.778 . 0 0 "[ . 1 . 2]" 1
1247 1 92 MET H 1 92 MET QB 0.000 . 3.360 2.470 2.325 2.565 . 0 0 "[ . 1 . 2]" 1
1248 1 92 MET H 1 92 MET QG 0.000 . 4.910 2.814 2.371 3.490 . 0 0 "[ . 1 . 2]" 1
1249 1 92 MET HA 1 92 MET QB 0.000 . 2.670 2.345 2.291 2.386 . 0 0 "[ . 1 . 2]" 1
1250 1 92 MET QB 1 93 PRO HA 0.000 . 3.330 2.436 1.945 2.744 . 0 0 "[ . 1 . 2]" 1
1251 1 92 MET QB 1 93 PRO QB 0.000 . 5.230 3.452 3.195 3.718 . 0 0 "[ . 1 . 2]" 1
1252 1 93 PRO QB 1 95 PHE HZ 0.000 . 5.420 3.763 3.191 4.354 . 0 0 "[ . 1 . 2]" 1
1253 1 93 PRO QG 1 110 ALA H 0.000 . 6.380 3.537 2.595 4.056 . 0 0 "[ . 1 . 2]" 1
1254 1 93 PRO QD 1 109 GLY QA 0.000 . 6.510 2.349 1.935 2.670 . 0 0 "[ . 1 . 2]" 1
1255 1 93 PRO QD 1 110 ALA H 0.000 . 5.700 2.246 1.949 2.619 . 0 0 "[ . 1 . 2]" 1
1256 1 95 PHE H 1 95 PHE QB 0.000 . 3.200 2.370 2.309 2.517 . 0 0 "[ . 1 . 2]" 1
1257 1 95 PHE QB 1 107 VAL H 0.000 . 6.380 2.948 2.687 3.318 . 0 0 "[ . 1 . 2]" 1
1258 1 95 PHE QB 1 107 VAL HB 0.000 . 3.930 2.150 1.878 2.558 . 0 0 "[ . 1 . 2]" 1
1259 1 95 PHE QB 1 107 VAL QG 0.000 . 6.770 2.928 2.617 3.310 . 0 0 "[ . 1 . 2]" 1
1260 1 95 PHE HB2 1 107 VAL MG1 0.000 . 8.470 3.689 3.464 4.035 . 0 0 "[ . 1 . 2]" 1
1261 1 95 PHE HB3 1 107 VAL MG1 0.000 . 8.470 5.013 4.753 5.397 . 0 0 "[ . 1 . 2]" 1
1262 1 95 PHE QD 1 107 VAL QG 0.000 . 9.000 2.922 2.511 3.328 . 0 0 "[ . 1 . 2]" 1
1263 1 95 PHE QD 1 115 LEU QD 0.000 . 9.970 3.038 2.687 3.458 . 0 0 "[ . 1 . 2]" 1
1264 1 95 PHE QE 1 107 VAL QG 0.000 . 10.210 3.964 3.272 4.443 . 0 0 "[ . 1 . 2]" 1
1265 1 95 PHE QE 1 115 LEU QB 0.000 . 7.600 4.695 4.270 5.020 . 0 0 "[ . 1 . 2]" 1
1266 1 95 PHE HZ 1 115 LEU QD 0.000 . 6.730 3.507 3.028 4.128 . 0 0 "[ . 1 . 2]" 1
1267 1 96 MET QB 1 97 PHE H 0.000 . 3.890 3.771 3.750 3.792 . 0 0 "[ . 1 . 2]" 1
1268 1 96 MET QG 1 97 PHE H 0.000 . 4.360 2.945 2.843 3.068 . 0 0 "[ . 1 . 2]" 1
1269 1 96 MET QG 1 103 ILE MG 0.000 . 5.980 2.836 2.406 3.219 . 0 0 "[ . 1 . 2]" 1
1270 1 96 MET QG 1 103 ILE QG 0.000 . 4.860 3.576 3.261 4.172 . 0 0 "[ . 1 . 2]" 1
1271 1 96 MET HG2 1 103 ILE HG12 0.000 . 5.890 4.062 3.504 5.899 0.009 15 0 "[ . 1 . 2]" 1
1272 1 96 MET HG3 1 103 ILE HG12 0.000 . 5.890 4.284 4.091 5.833 . 0 0 "[ . 1 . 2]" 1
1273 1 97 PHE H 1 97 PHE QB 0.000 . 3.070 2.201 2.124 2.247 . 0 0 "[ . 1 . 2]" 1
1274 1 97 PHE QB 1 104 LEU H 0.000 . 6.380 4.176 3.978 4.428 . 0 0 "[ . 1 . 2]" 1
1275 1 97 PHE QB 1 104 LEU QB 0.000 . 4.440 3.164 2.971 3.362 . 0 0 "[ . 1 . 2]" 1
1276 1 97 PHE QB 1 105 ASP H 0.000 . 4.150 2.789 2.552 3.016 . 0 0 "[ . 1 . 2]" 1
1277 1 97 PHE QB 1 105 ASP QB 0.000 . 4.650 3.798 2.040 4.094 . 0 0 "[ . 1 . 2]" 1
1278 1 97 PHE HB3 1 105 ASP HB2 0.000 . 6.100 5.605 3.158 6.021 . 0 0 "[ . 1 . 2]" 1
1279 1 97 PHE QD 1 105 ASP QB 0.000 . 7.330 4.394 3.216 4.782 . 0 0 "[ . 1 . 2]" 1
1280 1 97 PHE QD 1 107 VAL QG 0.000 . 9.000 2.966 2.539 3.202 . 0 0 "[ . 1 . 2]" 1
1281 1 98 LEU H 1 103 ILE QG 0.000 . 6.220 5.957 5.226 6.392 0.172 15 0 "[ . 1 . 2]" 1
1282 1 98 LEU HA 1 103 ILE QG 0.000 . 5.110 4.545 4.116 4.970 . 0 0 "[ . 1 . 2]" 1
1283 1 98 LEU QB 1 103 ILE QG 0.000 . 4.990 3.374 2.138 4.122 . 0 0 "[ . 1 . 2]" 1
1284 1 98 LEU QD 1 103 ILE HA 0.000 . 5.680 2.945 1.744 3.563 . 0 0 "[ . 1 . 2]" 1
1285 1 98 LEU QD 1 103 ILE QG 0.000 . 6.400 2.472 1.854 3.484 . 0 0 "[ . 1 . 2]" 1
1286 1 98 LEU MD2 1 103 ILE HG12 0.000 . 8.120 3.084 1.892 4.306 . 0 0 "[ . 1 . 2]" 1
1287 1 98 LEU MD2 1 103 ILE HG13 0.000 . 8.120 3.736 2.586 5.356 . 0 0 "[ . 1 . 2]" 1
1288 1 99 LYS H 1 104 LEU QD 0.000 . 6.060 3.273 2.992 3.436 . 0 0 "[ . 1 . 2]" 1
1289 1 99 LYS HA 1 99 LYS QG 0.000 . 3.050 2.487 2.417 2.540 . 0 0 "[ . 1 . 2]" 1
1290 1 99 LYS QB 1 100 GLU H 0.000 . 5.420 3.758 3.670 3.822 . 0 0 "[ . 1 . 2]" 1
1291 1 99 LYS QB 1 104 LEU QD 0.000 . 3.760 1.843 1.761 1.909 . 0 0 "[ . 1 . 2]" 1
1292 1 99 LYS HB3 1 104 LEU MD2 0.000 . 5.390 2.745 2.305 3.402 . 0 0 "[ . 1 . 2]" 1
1293 1 99 LYS QG 1 100 GLU QG 0.000 . 4.180 1.978 1.845 2.468 . 0 0 "[ . 1 . 2]" 1
1294 1 99 LYS HG3 1 100 GLU HG2 0.000 . 5.140 4.387 3.935 4.804 . 0 0 "[ . 1 . 2]" 1
1295 1 99 LYS HG3 1 100 GLU HG3 0.000 . 5.140 2.924 2.403 3.442 . 0 0 "[ . 1 . 2]" 1
1296 1 99 LYS QG 1 122 HIS HE1 0.000 . 6.130 5.890 5.125 6.189 0.059 8 0 "[ . 1 . 2]" 1
1297 1 100 GLU H 1 100 GLU QG 0.000 . 4.500 2.783 2.517 2.997 . 0 0 "[ . 1 . 2]" 1
1298 1 100 GLU HA 1 100 GLU QG 0.000 . 3.170 2.444 2.358 2.548 . 0 0 "[ . 1 . 2]" 1
1299 1 100 GLU QB 1 100 GLU QG 0.000 . 2.470 2.087 2.080 2.100 . 0 0 "[ . 1 . 2]" 1
1300 1 103 ILE H 1 103 ILE QG 0.000 . 3.810 2.166 1.989 2.294 . 0 0 "[ . 1 . 2]" 1
1301 1 103 ILE H 1 104 LEU QD 0.000 . 8.100 4.854 4.577 5.112 . 0 0 "[ . 1 . 2]" 1
1302 1 103 ILE HA 1 103 ILE QG 0.000 . 3.530 2.447 2.337 2.922 . 0 0 "[ . 1 . 2]" 1
1303 1 103 ILE QG 1 104 LEU H 0.000 . 6.380 4.193 3.992 4.671 . 0 0 "[ . 1 . 2]" 1
1304 1 104 LEU H 1 104 LEU QB 0.000 . 3.250 2.371 2.332 2.401 . 0 0 "[ . 1 . 2]" 1
1305 1 104 LEU HA 1 104 LEU QB 0.000 . 2.680 2.389 2.362 2.422 . 0 0 "[ . 1 . 2]" 1
1306 1 104 LEU HA 1 104 LEU QD 0.000 . 3.880 2.002 1.939 2.038 . 0 0 "[ . 1 . 2]" 1
1307 1 104 LEU QB 1 105 ASP H 0.000 . 4.150 2.189 2.006 2.464 . 0 0 "[ . 1 . 2]" 1
1308 1 104 LEU QB 1 122 HIS HD2 0.000 . 5.510 5.511 5.146 5.597 0.087 16 0 "[ . 1 . 2]" 1
1309 1 104 LEU QD 1 105 ASP H 0.000 . 8.100 3.898 3.771 4.081 . 0 0 "[ . 1 . 2]" 1
1310 1 104 LEU QD 1 122 HIS HE1 0.000 . 7.540 2.031 1.887 2.189 . 0 0 "[ . 1 . 2]" 1
1311 1 105 ASP H 1 105 ASP QB 0.000 . 3.530 3.271 2.704 3.367 . 0 0 "[ . 1 . 2]" 1
1312 1 105 ASP H 1 106 LYS QG 0.000 . 5.570 5.227 4.141 5.778 0.208 20 0 "[ . 1 . 2]" 1
1313 1 105 ASP QB 1 106 LYS H 0.000 . 3.200 2.305 2.193 2.395 . 0 0 "[ . 1 . 2]" 1
1314 1 105 ASP QB 1 118 THR MG 0.000 . 4.380 3.550 2.233 3.823 . 0 0 "[ . 1 . 2]" 1
1315 1 106 LYS H 1 107 VAL QG 0.000 . 8.090 4.175 3.481 4.536 . 0 0 "[ . 1 . 2]" 1
1316 1 107 VAL QG 1 108 VAL H 0.000 . 6.070 2.802 2.544 2.901 . 0 0 "[ . 1 . 2]" 1
1317 1 107 VAL QG 1 114 GLU H 0.000 . 8.090 5.012 4.509 5.644 . 0 0 "[ . 1 . 2]" 1
1318 1 107 VAL QG 1 114 GLU QB 0.000 . 6.790 3.131 2.251 3.773 . 0 0 "[ . 1 . 2]" 1
1319 1 107 VAL QG 1 114 GLU QG 0.000 . 7.260 2.713 2.077 4.246 . 0 0 "[ . 1 . 2]" 1
1320 1 107 VAL QG 1 115 LEU H 0.000 . 6.750 3.850 3.361 4.737 . 0 0 "[ . 1 . 2]" 1
1321 1 107 VAL QG 1 115 LEU HA 0.000 . 5.730 2.791 2.230 3.719 . 0 0 "[ . 1 . 2]" 1
1322 1 107 VAL QG 1 118 THR HB 0.000 . 6.630 2.990 2.533 3.487 . 0 0 "[ . 1 . 2]" 1
1323 1 107 VAL QG 1 118 THR MG 0.000 . 7.810 2.286 2.007 2.754 . 0 0 "[ . 1 . 2]" 1
1324 1 108 VAL QG 1 109 GLY H 0.000 . 6.380 2.781 2.503 2.973 . 0 0 "[ . 1 . 2]" 1
1325 1 109 GLY QA 1 110 ALA H 0.000 . 3.230 2.225 2.153 2.312 . 0 0 "[ . 1 . 2]" 1
1326 1 111 LYS H 1 111 LYS QB 0.000 . 3.240 2.455 2.411 2.529 . 0 0 "[ . 1 . 2]" 1
1327 1 111 LYS H 1 111 LYS QG 0.000 . 4.140 2.992 2.655 3.913 . 0 0 "[ . 1 . 2]" 1
1328 1 111 LYS HA 1 111 LYS QD 0.000 . 4.210 3.735 2.006 4.134 . 0 0 "[ . 1 . 2]" 1
1329 1 111 LYS QB 1 111 LYS QD 0.000 . 3.470 2.238 1.996 2.673 . 0 0 "[ . 1 . 2]" 1
1330 1 111 LYS QB 1 112 LYS H 0.000 . 5.200 3.405 2.657 3.889 . 0 0 "[ . 1 . 2]" 1
1331 1 111 LYS QB 1 113 ASP H 0.000 . 5.480 3.616 2.856 4.353 . 0 0 "[ . 1 . 2]" 1
1332 1 111 LYS QB 1 114 GLU H 0.000 . 5.110 2.617 2.189 3.153 . 0 0 "[ . 1 . 2]" 1
1333 1 111 LYS QD 1 111 LYS QG 0.000 . 2.340 1.962 1.916 2.004 . 0 0 "[ . 1 . 2]" 1
1334 1 111 LYS QG 1 114 GLU H 0.000 . 6.380 4.523 2.230 5.286 . 0 0 "[ . 1 . 2]" 1
1335 1 112 LYS H 1 112 LYS QB 0.000 . 3.040 2.180 2.120 2.240 . 0 0 "[ . 1 . 2]" 1
1336 1 112 LYS H 1 112 LYS QG 0.000 . 3.940 3.784 2.552 3.902 . 0 0 "[ . 1 . 2]" 1
1337 1 112 LYS HA 1 115 LEU QB 0.000 . 3.990 2.982 2.521 3.381 . 0 0 "[ . 1 . 2]" 1
1338 1 112 LYS QB 1 113 ASP H 0.000 . 3.640 2.466 2.300 2.734 . 0 0 "[ . 1 . 2]" 1
1339 1 113 ASP HA 1 116 GLN QB 0.000 . 4.240 2.950 2.291 3.796 . 0 0 "[ . 1 . 2]" 1
1340 1 115 LEU H 1 115 LEU QB 0.000 . 2.730 2.177 2.126 2.215 . 0 0 "[ . 1 . 2]" 1
1341 1 115 LEU QB 1 116 GLN H 0.000 . 3.060 2.148 2.048 2.242 . 0 0 "[ . 1 . 2]" 1
1342 1 115 LEU HG 1 116 GLN QE 0.000 . 6.370 4.299 2.501 6.383 0.013 7 0 "[ . 1 . 2]" 1
1343 1 115 LEU QD 1 116 GLN HA 0.000 . 6.550 4.296 4.184 4.432 . 0 0 "[ . 1 . 2]" 1
1344 1 115 LEU QD 1 116 GLN QB 0.000 . 7.800 4.988 4.836 5.137 . 0 0 "[ . 1 . 2]" 1
1345 1 115 LEU QD 1 116 GLN QG 0.000 . 6.630 3.991 3.570 4.440 . 0 0 "[ . 1 . 2]" 1
1346 1 115 LEU MD1 1 116 GLN HG2 0.000 . 8.300 5.837 5.466 7.059 . 0 0 "[ . 1 . 2]" 1
1347 1 115 LEU MD1 1 116 GLN HG3 0.000 . 8.300 6.526 5.381 7.254 . 0 0 "[ . 1 . 2]" 1
1348 1 115 LEU QD 1 119 ILE H 0.000 . 8.100 4.173 3.976 4.485 . 0 0 "[ . 1 . 2]" 1
1349 1 115 LEU QD 1 119 ILE QG 0.000 . 6.660 3.090 2.841 3.450 . 0 0 "[ . 1 . 2]" 1
1350 1 115 LEU MD1 1 119 ILE HG12 0.000 . 8.460 3.773 3.266 4.303 . 0 0 "[ . 1 . 2]" 1
1351 1 115 LEU MD1 1 119 ILE HG13 0.000 . 8.460 3.658 3.073 4.510 . 0 0 "[ . 1 . 2]" 1
1352 1 115 LEU QD 1 119 ILE MD 0.000 . 6.650 2.853 2.539 3.420 . 0 0 "[ . 1 . 2]" 1
1353 1 116 GLN H 1 116 GLN QB 0.000 . 3.480 2.559 2.422 2.723 . 0 0 "[ . 1 . 2]" 1
1354 1 116 GLN HA 1 116 GLN QB 0.000 . 2.710 2.373 2.325 2.428 . 0 0 "[ . 1 . 2]" 1
1355 1 116 GLN HA 1 116 GLN QG 0.000 . 3.540 2.781 2.356 3.188 . 0 0 "[ . 1 . 2]" 1
1356 1 116 GLN QB 1 116 GLN QG 0.000 . 2.450 2.014 1.966 2.084 . 0 0 "[ . 1 . 2]" 1
1357 1 116 GLN QB 1 117 SER H 0.000 . 4.050 2.668 2.549 2.809 . 0 0 "[ . 1 . 2]" 1
1358 1 116 GLN QG 1 117 SER H 0.000 . 6.380 4.114 3.832 4.629 . 0 0 "[ . 1 . 2]" 1
1359 1 118 THR HA 1 121 LYS QB 0.000 . 3.120 2.282 2.063 2.547 . 0 0 "[ . 1 . 2]" 1
1360 1 118 THR HB 1 121 LYS QD 0.000 . 5.480 5.067 4.466 5.538 0.058 2 0 "[ . 1 . 2]" 1
1361 1 118 THR MG 1 121 LYS QD 0.000 . 5.690 2.910 2.343 3.581 . 0 0 "[ . 1 . 2]" 1
1362 1 119 ILE H 1 119 ILE QG 0.000 . 3.910 2.121 2.033 2.210 . 0 0 "[ . 1 . 2]" 1
1363 1 119 ILE HA 1 119 ILE QG 0.000 . 3.480 2.592 2.365 3.005 . 0 0 "[ . 1 . 2]" 1
1364 1 119 ILE MG 1 122 HIS QB 0.000 . 5.700 3.815 3.623 4.040 . 0 0 "[ . 1 . 2]" 1
1365 1 120 ALA HA 1 123 LEU QB 0.000 . 3.590 2.198 1.917 2.497 . 0 0 "[ . 1 . 2]" 1
1366 1 120 ALA HA 1 123 LEU QD 0.000 . 6.050 3.230 1.951 3.823 . 0 0 "[ . 1 . 2]" 1
1367 1 121 LYS H 1 123 LEU QD 0.000 . 8.100 5.368 4.519 6.013 . 0 0 "[ . 1 . 2]" 1
1368 1 121 LYS HA 1 121 LYS QG 0.000 . 3.760 2.421 2.261 2.493 . 0 0 "[ . 1 . 2]" 1
1369 1 121 LYS QB 1 122 HIS HD2 0.000 . 4.370 2.682 2.344 3.020 . 0 0 "[ . 1 . 2]" 1
1370 1 122 HIS H 1 122 HIS QB 0.000 . 3.180 2.273 2.218 2.339 . 0 0 "[ . 1 . 2]" 1
1371 1 122 HIS H 1 123 LEU QD 0.000 . 8.100 4.684 3.566 5.451 . 0 0 "[ . 1 . 2]" 1
1372 1 122 HIS QB 1 122 HIS HE1 0.000 . 4.940 4.407 4.383 4.436 . 0 0 "[ . 1 . 2]" 1
1373 1 122 HIS QB 1 123 LEU H 0.000 . 5.670 3.071 2.607 3.501 . 0 0 "[ . 1 . 2]" 1
1374 1 123 LEU HA 1 123 LEU QB 0.000 . 2.640 2.405 2.332 2.489 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 3
_Distance_constraint_stats_list.Viol_count 3
_Distance_constraint_stats_list.Viol_total 1.154
_Distance_constraint_stats_list.Viol_max 0.050
_Distance_constraint_stats_list.Viol_rms 0.0065
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0192
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 50 CYS 0.058 0.050 19 0 "[ . 1 . 2]"
1 53 CYS 0.058 0.050 19 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 50 CYS SG 1 53 CYS SG 2.000 . 2.100 2.027 2.018 2.037 . 0 0 "[ . 1 . 2]" 2
2 1 50 CYS SG 1 53 CYS CB 3.000 3.000 3.100 3.036 2.996 3.069 0.004 20 0 "[ . 1 . 2]" 2
3 1 50 CYS CB 1 53 CYS SG 3.000 3.000 3.100 3.032 2.950 3.085 0.050 19 0 "[ . 1 . 2]" 2
stop_
save_
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