NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
442618 |
2kd2   |
16103 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kd2
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 952
_Distance_constraint_stats_list.Viol_count 976
_Distance_constraint_stats_list.Viol_total 1655.544
_Distance_constraint_stats_list.Viol_max 0.410
_Distance_constraint_stats_list.Viol_rms 0.0284
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0043
_Distance_constraint_stats_list.Viol_average_violations_only 0.0848
_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 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 THR 14.305 0.384 16 0 "[ . 1 . 2]"
1 13 SER 14.110 0.384 16 0 "[ . 1 . 2]"
1 14 THR 0.420 0.053 5 0 "[ . 1 . 2]"
1 15 TRP 0.532 0.034 15 0 "[ . 1 . 2]"
1 16 VAL 2.952 0.148 20 0 "[ . 1 . 2]"
1 17 LEU 0.021 0.009 16 0 "[ . 1 . 2]"
1 18 ARG 0.021 0.009 16 0 "[ . 1 . 2]"
1 19 LEU 2.618 0.137 3 0 "[ . 1 . 2]"
1 20 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LEU 3.225 0.183 12 0 "[ . 1 . 2]"
1 25 ARG 0.066 0.015 10 0 "[ . 1 . 2]"
1 26 VAL 0.374 0.053 13 0 "[ . 1 . 2]"
1 27 VAL 0.384 0.053 5 0 "[ . 1 . 2]"
1 28 LEU 9.200 0.200 16 0 "[ . 1 . 2]"
1 29 GLU 0.138 0.025 18 0 "[ . 1 . 2]"
1 30 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 THR 0.004 0.002 20 0 "[ . 1 . 2]"
1 33 MET 1.324 0.116 18 0 "[ . 1 . 2]"
1 34 ASP 0.006 0.003 17 0 "[ . 1 . 2]"
1 35 VAL 6.578 0.410 7 0 "[ . 1 . 2]"
1 36 TRP 13.020 0.410 7 0 "[ . 1 . 2]"
1 37 CYS 2.456 0.151 3 0 "[ . 1 . 2]"
1 38 ASN 0.452 0.034 18 0 "[ . 1 . 2]"
1 39 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLN 0.827 0.075 17 0 "[ . 1 . 2]"
1 41 LYS 1.018 0.112 12 0 "[ . 1 . 2]"
1 42 MET 0.646 0.076 19 0 "[ . 1 . 2]"
1 43 GLU 1.438 0.134 11 0 "[ . 1 . 2]"
1 44 THR 0.960 0.076 11 0 "[ . 1 . 2]"
1 45 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLY 0.045 0.033 15 0 "[ . 1 . 2]"
1 47 GLU 0.016 0.006 7 0 "[ . 1 . 2]"
1 48 PHE 0.004 0.002 5 0 "[ . 1 . 2]"
1 49 VAL 0.129 0.058 5 0 "[ . 1 . 2]"
1 50 ASP 0.001 0.001 9 0 "[ . 1 . 2]"
1 51 ASP 2.929 0.181 15 0 "[ . 1 . 2]"
1 52 GLY 0.103 0.037 15 0 "[ . 1 . 2]"
1 53 THR 6.816 0.222 7 0 "[ . 1 . 2]"
1 54 GLU 3.338 0.142 13 0 "[ . 1 . 2]"
1 55 THR 0.346 0.035 7 0 "[ . 1 . 2]"
1 56 HIS 0.160 0.033 15 0 "[ . 1 . 2]"
1 57 PHE 2.387 0.134 11 0 "[ . 1 . 2]"
1 58 SER 0.539 0.054 10 0 "[ . 1 . 2]"
1 59 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 HIS 0.237 0.045 14 0 "[ . 1 . 2]"
1 63 ASP 0.550 0.054 10 0 "[ . 1 . 2]"
1 64 CYS 0.082 0.025 6 0 "[ . 1 . 2]"
1 65 TYR 0.200 0.049 7 0 "[ . 1 . 2]"
1 66 ILE 0.515 0.049 7 0 "[ . 1 . 2]"
1 67 LYS 1.201 0.118 3 0 "[ . 1 . 2]"
1 68 ALA 0.132 0.013 18 0 "[ . 1 . 2]"
1 69 VAL 1.877 0.091 15 0 "[ . 1 . 2]"
1 70 SER 0.004 0.002 9 0 "[ . 1 . 2]"
1 71 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ILE 0.120 0.013 18 0 "[ . 1 . 2]"
1 80 HIS 5.433 0.274 2 0 "[ . 1 . 2]"
1 81 THR 2.301 0.173 18 0 "[ . 1 . 2]"
1 82 LEU 0.074 0.015 1 0 "[ . 1 . 2]"
1 83 ILE 0.389 0.027 13 0 "[ . 1 . 2]"
1 84 VAL 3.002 0.153 3 0 "[ . 1 . 2]"
1 85 ASP 0.475 0.069 4 0 "[ . 1 . 2]"
1 86 ASN 0.164 0.041 1 0 "[ . 1 . 2]"
1 87 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 GLU 0.074 0.015 1 0 "[ . 1 . 2]"
1 89 ILE 0.112 0.034 15 0 "[ . 1 . 2]"
1 90 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 GLU 1.573 0.092 3 0 "[ . 1 . 2]"
1 92 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 52 GLY H 1 53 THR H . . 5.410 4.309 3.292 4.515 . 0 0 "[ . 1 . 2]" 1
2 1 53 THR H 1 54 GLU H . . 4.260 4.292 4.272 4.299 0.039 15 0 "[ . 1 . 2]" 1
3 1 44 THR H 1 45 ALA H . . 5.570 4.472 4.445 4.547 . 0 0 "[ . 1 . 2]" 1
4 1 47 GLU H 1 54 GLU H . . 4.700 3.677 3.142 4.020 . 0 0 "[ . 1 . 2]" 1
5 1 49 VAL H 1 54 GLU H . . 5.410 4.243 3.227 4.770 . 0 0 "[ . 1 . 2]" 1
6 1 54 GLU H 1 55 THR H . . 5.570 4.090 3.981 4.453 . 0 0 "[ . 1 . 2]" 1
7 1 49 VAL H 1 50 ASP H . . 5.690 4.457 4.381 4.514 . 0 0 "[ . 1 . 2]" 1
8 1 49 VAL H 1 52 GLY H . . 5.470 4.229 3.493 4.865 . 0 0 "[ . 1 . 2]" 1
9 1 51 ASP H 1 52 GLY H . . 4.540 3.416 2.646 3.819 . 0 0 "[ . 1 . 2]" 1
10 1 47 GLU H 1 56 HIS H . . 5.070 4.449 3.754 5.074 0.004 15 0 "[ . 1 . 2]" 1
11 1 63 ASP H 1 64 CYS H . . 6.000 3.900 3.370 4.309 . 0 0 "[ . 1 . 2]" 1
12 1 57 PHE H 1 64 CYS H . . 5.070 4.785 4.206 5.095 0.025 6 0 "[ . 1 . 2]" 1
13 1 63 ASP H 1 85 ASP H . . 5.630 4.406 3.936 5.416 . 0 0 "[ . 1 . 2]" 1
14 1 64 CYS H 1 65 TYR H . . 6.000 4.457 4.372 4.583 . 0 0 "[ . 1 . 2]" 1
15 1 30 LYS H 1 31 ASP H . . 5.040 2.513 2.483 2.624 . 0 0 "[ . 1 . 2]" 1
16 1 59 VAL H 1 64 CYS H . . 5.720 3.934 3.333 4.584 . 0 0 "[ . 1 . 2]" 1
17 1 59 VAL H 1 62 HIS H . . 5.130 3.619 2.989 4.590 . 0 0 "[ . 1 . 2]" 1
18 1 58 SER H 1 59 VAL H . . 6.000 4.534 4.364 4.614 . 0 0 "[ . 1 . 2]" 1
19 1 93 THR H 1 94 GLN H . . 5.630 3.529 1.910 4.640 . 0 0 "[ . 1 . 2]" 1
20 1 92 LEU H 1 93 THR H . . 6.000 3.920 2.753 4.585 . 0 0 "[ . 1 . 2]" 1
21 1 13 SER H 1 14 THR H . . 5.010 4.512 4.282 4.538 . 0 0 "[ . 1 . 2]" 1
22 1 56 HIS H 1 57 PHE H . . 5.840 4.227 4.166 4.309 . 0 0 "[ . 1 . 2]" 1
23 1 45 ALA H 1 56 HIS H . . 4.980 2.005 1.890 2.431 . 0 0 "[ . 1 . 2]" 1
24 1 65 TYR H 1 83 ILE H . . 4.920 3.132 2.912 3.270 . 0 0 "[ . 1 . 2]" 1
25 1 65 TYR H 1 66 ILE H . . 4.850 4.271 4.182 4.343 . 0 0 "[ . 1 . 2]" 1
26 1 37 CYS H 1 42 MET H . . 5.290 4.230 3.237 4.976 . 0 0 "[ . 1 . 2]" 1
27 1 37 CYS H 1 40 GLN H . . 4.820 2.884 2.681 3.429 . 0 0 "[ . 1 . 2]" 1
28 1 37 CYS H 1 38 ASN H . . 6.000 4.201 3.969 4.392 . 0 0 "[ . 1 . 2]" 1
29 1 38 ASN H 1 39 GLY H . . 5.350 3.148 2.702 4.044 . 0 0 "[ . 1 . 2]" 1
30 1 25 ARG H 1 38 ASN H . . 5.380 3.445 2.763 3.948 . 0 0 "[ . 1 . 2]" 1
31 1 27 VAL H 1 38 ASN H . . 6.000 5.466 4.511 6.027 0.027 12 0 "[ . 1 . 2]" 1
32 1 15 TRP H 1 27 VAL H . . 5.320 4.868 4.720 5.000 . 0 0 "[ . 1 . 2]" 1
33 1 26 VAL H 1 27 VAL H . . 5.500 4.508 4.282 4.546 . 0 0 "[ . 1 . 2]" 1
34 1 17 LEU H 1 26 VAL H . . 6.000 4.242 4.057 4.394 . 0 0 "[ . 1 . 2]" 1
35 1 25 ARG H 1 26 VAL H . . 6.000 4.299 4.250 4.378 . 0 0 "[ . 1 . 2]" 1
36 1 33 MET H 1 34 ASP H . . 4.610 2.701 2.635 2.768 . 0 0 "[ . 1 . 2]" 1
37 1 34 ASP H 1 35 VAL H . . 6.000 4.605 4.589 4.627 . 0 0 "[ . 1 . 2]" 1
38 1 29 GLU H 1 34 ASP H . . 5.600 3.791 3.595 3.949 . 0 0 "[ . 1 . 2]" 1
39 1 35 VAL H 1 36 TRP H . . 5.630 4.435 4.341 4.522 . 0 0 "[ . 1 . 2]" 1
40 1 67 LYS H 1 81 THR H . . 4.880 3.274 3.006 3.427 . 0 0 "[ . 1 . 2]" 1
41 1 69 VAL H 1 81 THR H . . 5.500 4.971 4.478 5.221 . 0 0 "[ . 1 . 2]" 1
42 1 81 THR H 1 82 LEU H . . 5.970 4.059 3.952 4.212 . 0 0 "[ . 1 . 2]" 1
43 1 67 LYS H 1 68 ALA H . . 6.000 4.279 4.238 4.328 . 0 0 "[ . 1 . 2]" 1
44 1 66 ILE H 1 67 LYS H . . 6.000 4.318 4.296 4.403 . 0 0 "[ . 1 . 2]" 1
45 1 67 LYS H 1 83 ILE H . . 6.000 3.832 3.713 4.041 . 0 0 "[ . 1 . 2]" 1
46 1 82 LEU H 1 89 ILE H . . 6.000 4.364 4.218 4.449 . 0 0 "[ . 1 . 2]" 1
47 1 82 LEU H 1 83 ILE H . . 6.000 4.589 4.565 4.604 . 0 0 "[ . 1 . 2]" 1
48 1 84 VAL H 1 85 ASP H . . 5.970 4.319 4.188 4.449 . 0 0 "[ . 1 . 2]" 1
49 1 85 ASP H 1 87 ARG H . . 6.000 4.253 4.158 4.346 . 0 0 "[ . 1 . 2]" 1
50 1 85 ASP H 1 86 ASN H . . 4.950 2.665 2.617 2.765 . 0 0 "[ . 1 . 2]" 1
51 1 86 ASN H 1 87 ARG H . . 4.850 2.698 2.678 2.767 . 0 0 "[ . 1 . 2]" 1
52 1 84 VAL H 1 87 ARG H . . 4.670 3.021 2.802 3.352 . 0 0 "[ . 1 . 2]" 1
53 1 84 VAL H 1 89 ILE H . . 5.440 4.987 4.854 5.112 . 0 0 "[ . 1 . 2]" 1
54 1 53 THR H 1 68 ALA H . . 4.570 3.874 3.268 4.530 . 0 0 "[ . 1 . 2]" 1
55 1 55 THR H 1 66 ILE H . . 5.010 3.846 3.457 4.323 . 0 0 "[ . 1 . 2]" 1
56 1 17 LEU H 1 24 LEU H . . 5.070 3.872 3.782 3.951 . 0 0 "[ . 1 . 2]" 1
57 1 17 LEU H 1 18 ARG H . . 6.000 4.374 4.367 4.383 . 0 0 "[ . 1 . 2]" 1
58 1 23 ASP H 1 24 LEU H . . 5.220 4.121 4.095 4.139 . 0 0 "[ . 1 . 2]" 1
59 1 24 LEU H 1 25 ARG H . . 5.970 4.530 4.503 4.565 . 0 0 "[ . 1 . 2]" 1
60 1 15 TRP H 1 28 LEU H . . 6.000 5.276 4.957 5.677 . 0 0 "[ . 1 . 2]" 1
61 1 15 TRP H 1 16 VAL H . . 5.880 4.246 4.102 4.456 . 0 0 "[ . 1 . 2]" 1
62 1 14 THR H 1 15 TRP H . . 6.000 4.394 4.277 4.527 . 0 0 "[ . 1 . 2]" 1
63 1 13 SER H 1 28 LEU H . . 4.950 3.121 2.874 3.434 . 0 0 "[ . 1 . 2]" 1
64 1 12 THR H 1 13 SER H . . 5.160 4.107 4.101 4.164 . 0 0 "[ . 1 . 2]" 1
65 1 28 LEU H 1 29 GLU H . . 5.910 4.091 3.913 4.244 . 0 0 "[ . 1 . 2]" 1
66 1 76 GLU H 1 77 GLY H . . 5.690 2.736 2.004 3.112 . 0 0 "[ . 1 . 2]" 1
67 1 77 GLY H 1 78 ILE H . . 5.070 4.321 4.055 4.453 . 0 0 "[ . 1 . 2]" 1
68 1 78 ILE H 1 79 ILE H . . 4.540 4.442 4.346 4.516 . 0 0 "[ . 1 . 2]" 1
69 1 40 GLN H 1 41 LYS H . . 5.720 4.064 3.861 4.416 . 0 0 "[ . 1 . 2]" 1
70 1 39 GLY H 1 40 GLN H . . 4.950 2.845 2.441 2.941 . 0 0 "[ . 1 . 2]" 1
71 1 38 ASN H 1 40 GLN H . . 6.000 4.344 4.011 4.887 . 0 0 "[ . 1 . 2]" 1
72 1 20 ASP H 1 21 GLY H . . 5.630 2.615 2.612 2.619 . 0 0 "[ . 1 . 2]" 1
73 1 21 GLY H 1 22 GLU H . . 4.640 2.464 2.444 2.480 . 0 0 "[ . 1 . 2]" 1
74 1 19 LEU H 1 22 GLU H . . 4.760 3.658 3.613 3.702 . 0 0 "[ . 1 . 2]" 1
75 1 22 GLU H 1 23 ASP H . . 6.000 4.418 4.416 4.425 . 0 0 "[ . 1 . 2]" 1
76 1 29 GLU H 1 30 LYS H . . 5.380 4.552 4.488 4.573 . 0 0 "[ . 1 . 2]" 1
77 1 29 GLU H 1 31 ASP H . . 5.660 5.204 5.096 5.284 . 0 0 "[ . 1 . 2]" 1
78 1 87 ARG H 1 88 GLU H . . 6.000 4.222 4.170 4.255 . 0 0 "[ . 1 . 2]" 1
79 1 48 PHE H 1 49 VAL H . . 5.500 4.466 4.352 4.628 . 0 0 "[ . 1 . 2]" 1
80 1 61 ASN H 1 62 HIS H . . 4.850 2.479 1.930 2.760 . 0 0 "[ . 1 . 2]" 1
81 1 80 HIS H 1 81 THR H . . 6.000 4.488 4.401 4.534 . 0 0 "[ . 1 . 2]" 1
82 1 32 THR H 1 33 MET H . . 4.110 2.068 2.025 2.109 . 0 0 "[ . 1 . 2]" 1
83 1 31 ASP H 1 32 THR H . . 4.640 2.944 2.924 2.957 . 0 0 "[ . 1 . 2]" 1
84 1 31 ASP H 1 33 MET H . . 5.260 3.667 3.650 3.678 . 0 0 "[ . 1 . 2]" 1
85 1 68 ALA H 1 69 VAL H . . 6.000 4.550 4.515 4.569 . 0 0 "[ . 1 . 2]" 1
86 1 18 ARG H 1 24 LEU H . . 6.000 4.656 4.610 4.702 . 0 0 "[ . 1 . 2]" 1
87 1 43 GLU H 1 44 THR H . . 5.350 4.130 4.105 4.222 . 0 0 "[ . 1 . 2]" 1
88 1 50 ASP H 1 52 GLY H . . 6.000 5.669 5.009 6.001 0.001 9 0 "[ . 1 . 2]" 1
89 1 59 VAL H 1 60 GLY H . . 5.440 3.880 3.720 4.415 . 0 0 "[ . 1 . 2]" 1
90 1 70 SER H 1 71 SER H . . 6.000 4.540 4.452 4.584 . 0 0 "[ . 1 . 2]" 1
91 1 34 ASP HA 1 35 VAL H . . 3.860 2.280 2.199 2.373 . 0 0 "[ . 1 . 2]" 1
92 1 55 THR HA 1 56 HIS H . . 4.020 2.153 2.151 2.154 . 0 0 "[ . 1 . 2]" 1
93 1 84 VAL H 1 84 VAL HB . . 4.290 2.693 2.599 2.764 . 0 0 "[ . 1 . 2]" 1
94 1 44 THR HA 1 45 ALA H . . 4.020 2.612 2.459 2.649 . 0 0 "[ . 1 . 2]" 1
95 1 44 THR HB 1 45 ALA H . . 4.330 2.097 1.952 2.334 . 0 0 "[ . 1 . 2]" 1
96 1 42 MET HA 1 43 GLU H . . 3.860 2.432 2.343 2.554 . 0 0 "[ . 1 . 2]" 1
97 1 30 LYS HA 1 33 MET H . . 5.660 3.123 3.056 3.178 . 0 0 "[ . 1 . 2]" 1
98 1 31 ASP QB 1 33 MET H . . 6.880 4.076 4.030 4.123 . 0 0 "[ . 1 . 2]" 1
99 1 30 LYS HA 1 32 THR H . . 6.000 4.360 4.272 4.413 . 0 0 "[ . 1 . 2]" 1
100 1 29 GLU HB3 1 32 THR H . . 6.000 3.008 2.956 3.067 . 0 0 "[ . 1 . 2]" 1
101 1 29 GLU HB2 1 32 THR H . . 6.000 4.480 4.411 4.643 . 0 0 "[ . 1 . 2]" 1
102 1 27 VAL HA 1 28 LEU H . . 4.020 2.185 2.143 2.300 . 0 0 "[ . 1 . 2]" 1
103 1 12 THR HA 1 28 LEU H . . 5.910 4.754 4.335 5.061 . 0 0 "[ . 1 . 2]" 1
104 1 28 LEU HB2 1 29 GLU H . . 5.940 4.385 4.313 4.424 . 0 0 "[ . 1 . 2]" 1
105 1 28 LEU HB3 1 29 GLU H . . 5.940 4.466 4.417 4.496 . 0 0 "[ . 1 . 2]" 1
106 1 14 THR HA 1 27 VAL H . . 4.670 4.676 4.550 4.723 0.053 5 0 "[ . 1 . 2]" 1
107 1 35 VAL HA 1 36 TRP H . . 4.050 2.164 2.139 2.226 . 0 0 "[ . 1 . 2]" 1
108 1 26 VAL HB 1 27 VAL H . . 5.540 3.620 3.364 3.881 . 0 0 "[ . 1 . 2]" 1
109 1 25 ARG HA 1 26 VAL H . . 3.920 2.145 2.139 2.153 . 0 0 "[ . 1 . 2]" 1
110 1 43 GLU HA 1 44 THR H . . 3.710 2.158 2.147 2.160 . 0 0 "[ . 1 . 2]" 1
111 1 43 GLU HB2 1 44 THR H . . 4.980 4.550 4.345 4.620 . 0 0 "[ . 1 . 2]" 1
112 1 43 GLU H 1 43 GLU HB2 . . 4.360 2.567 2.307 3.203 . 0 0 "[ . 1 . 2]" 1
113 1 24 LEU HA 1 25 ARG H . . 3.980 2.153 2.143 2.174 . 0 0 "[ . 1 . 2]" 1
114 1 79 ILE HA 1 80 HIS H . . 3.980 2.164 2.141 2.211 . 0 0 "[ . 1 . 2]" 1
115 1 25 ARG H 1 37 CYS HA . . 6.000 4.554 4.118 5.070 . 0 0 "[ . 1 . 2]" 1
116 1 18 ARG HA 1 24 LEU H . . 4.920 2.661 2.543 2.772 . 0 0 "[ . 1 . 2]" 1
117 1 37 CYS HB3 1 38 ASN H . . 5.970 3.982 3.214 4.528 . 0 0 "[ . 1 . 2]" 1
118 1 37 CYS HB2 1 38 ASN H . . 5.970 4.238 3.174 4.622 . 0 0 "[ . 1 . 2]" 1
119 1 26 VAL HA 1 38 ASN H . . 5.470 4.190 3.272 4.644 . 0 0 "[ . 1 . 2]" 1
120 1 49 VAL H 1 51 ASP HA . . 6.000 5.618 5.346 6.058 0.058 5 0 "[ . 1 . 2]" 1
121 1 64 CYS HA 1 65 TYR H . . 3.950 2.388 2.252 2.514 . 0 0 "[ . 1 . 2]" 1
122 1 59 VAL HA 1 60 GLY H . . 4.020 2.187 2.151 2.206 . 0 0 "[ . 1 . 2]" 1
123 1 12 THR H 1 13 SER HA . . 4.170 4.540 4.538 4.554 0.384 16 0 "[ . 1 . 2]" 1
124 1 12 THR HB 1 13 SER H . . 3.770 3.319 3.210 3.333 . 0 0 "[ . 1 . 2]" 1
125 1 13 SER H 1 14 THR HA . . 5.750 5.113 4.987 5.157 . 0 0 "[ . 1 . 2]" 1
126 1 13 SER HB2 1 14 THR H . . 5.600 4.097 3.611 4.379 . 0 0 "[ . 1 . 2]" 1
127 1 13 SER HB3 1 14 THR H . . 5.600 2.983 2.715 3.618 . 0 0 "[ . 1 . 2]" 1
128 1 16 VAL HA 1 17 LEU H . . 3.830 2.143 2.142 2.144 . 0 0 "[ . 1 . 2]" 1
129 1 47 GLU HA 1 48 PHE H . . 3.890 2.179 2.138 2.537 . 0 0 "[ . 1 . 2]" 1
130 1 15 TRP H 1 92 LEU H . . 6.000 4.900 4.454 5.950 . 0 0 "[ . 1 . 2]" 1
131 1 67 LYS H 1 82 LEU H . . 5.810 4.660 4.510 4.727 . 0 0 "[ . 1 . 2]" 1
132 1 79 ILE H 1 79 ILE HB . . 3.800 2.741 2.691 2.806 . 0 0 "[ . 1 . 2]" 1
133 1 69 VAL H 1 80 HIS HA . . 5.380 3.454 3.200 3.678 . 0 0 "[ . 1 . 2]" 1
134 1 68 ALA H 1 80 HIS HA . . 6.000 4.483 4.439 4.544 . 0 0 "[ . 1 . 2]" 1
135 1 65 TYR H 1 84 VAL HA . . 4.880 3.536 3.343 3.726 . 0 0 "[ . 1 . 2]" 1
136 1 70 SER HA 1 79 ILE H . . 5.320 3.560 3.441 3.663 . 0 0 "[ . 1 . 2]" 1
137 1 80 HIS HA 1 81 THR H . . 3.950 2.197 2.175 2.237 . 0 0 "[ . 1 . 2]" 1
138 1 80 HIS HB2 1 81 THR H . . 5.600 3.859 3.761 3.920 . 0 0 "[ . 1 . 2]" 1
139 1 66 ILE HA 1 83 ILE H . . 5.130 3.002 2.865 3.121 . 0 0 "[ . 1 . 2]" 1
140 1 78 ILE H 1 78 ILE HB . . 4.170 2.697 2.552 2.880 . 0 0 "[ . 1 . 2]" 1
141 1 83 ILE H 1 83 ILE HB . . 3.890 2.822 2.786 2.839 . 0 0 "[ . 1 . 2]" 1
142 1 23 ASP HA 1 24 LEU H . . 3.830 2.262 2.253 2.276 . 0 0 "[ . 1 . 2]" 1
143 1 57 PHE HB2 1 58 SER H . . 4.730 2.902 1.944 3.611 . 0 0 "[ . 1 . 2]" 1
144 1 57 PHE HB3 1 58 SER H . . 4.730 3.875 3.378 4.190 . 0 0 "[ . 1 . 2]" 1
145 1 55 THR HB 1 56 HIS H . . 6.000 3.861 3.816 3.942 . 0 0 "[ . 1 . 2]" 1
146 1 46 GLY HA3 1 56 HIS H . . 6.000 5.663 3.809 6.033 0.033 15 0 "[ . 1 . 2]" 1
147 1 35 VAL HB 1 36 TRP H . . 4.420 4.131 3.917 4.327 . 0 0 "[ . 1 . 2]" 1
148 1 68 ALA HA 1 69 VAL H . . 3.890 2.234 2.167 2.261 . 0 0 "[ . 1 . 2]" 1
149 1 28 LEU HA 1 35 VAL H . . 6.000 4.947 4.873 5.002 . 0 0 "[ . 1 . 2]" 1
150 1 28 LEU H 1 35 VAL HA . . 5.570 4.928 4.849 4.982 . 0 0 "[ . 1 . 2]" 1
151 1 84 VAL HB 1 85 ASP H . . 5.810 4.170 4.024 4.335 . 0 0 "[ . 1 . 2]" 1
152 1 64 CYS HA 1 85 ASP H . . 5.260 3.169 2.850 3.368 . 0 0 "[ . 1 . 2]" 1
153 1 80 HIS HB3 1 81 THR H . . 5.600 3.092 2.939 3.189 . 0 0 "[ . 1 . 2]" 1
154 1 36 TRP HA 1 37 CYS H . . 4.050 2.152 2.140 2.179 . 0 0 "[ . 1 . 2]" 1
155 1 38 ASN HB3 1 39 GLY H . . 6.000 4.119 2.097 4.625 . 0 0 "[ . 1 . 2]" 1
156 1 38 ASN HB2 1 39 GLY H . . 6.000 4.259 2.433 4.580 . 0 0 "[ . 1 . 2]" 1
157 1 51 ASP HB3 1 52 GLY H . . 5.810 3.972 2.144 4.530 . 0 0 "[ . 1 . 2]" 1
158 1 51 ASP HB2 1 52 GLY H . . 5.810 3.957 2.402 4.669 . 0 0 "[ . 1 . 2]" 1
159 1 49 VAL HB 1 50 ASP H . . 4.260 1.967 1.917 2.063 . 0 0 "[ . 1 . 2]" 1
160 1 50 ASP H 1 51 ASP H . . 5.130 2.728 2.640 2.822 . 0 0 "[ . 1 . 2]" 1
161 1 79 ILE HB 1 80 HIS H . . 4.670 4.117 3.947 4.233 . 0 0 "[ . 1 . 2]" 1
162 1 81 THR HB 1 82 LEU H . . 4.850 3.868 3.710 3.968 . 0 0 "[ . 1 . 2]" 1
163 1 82 LEU H 1 88 GLU HA . . 6.000 5.962 5.818 6.015 0.015 1 0 "[ . 1 . 2]" 1
164 1 31 ASP H 1 34 ASP H . . 6.000 5.091 4.962 5.175 . 0 0 "[ . 1 . 2]" 1
165 1 12 THR HA 1 31 ASP H . . 6.000 5.623 5.254 5.949 . 0 0 "[ . 1 . 2]" 1
166 1 31 ASP H 1 32 THR HA . . 6.000 5.334 5.326 5.348 . 0 0 "[ . 1 . 2]" 1
167 1 30 LYS HB2 1 31 ASP H . . 5.410 3.514 3.232 4.247 . 0 0 "[ . 1 . 2]" 1
168 1 30 LYS HB3 1 31 ASP H . . 5.410 3.837 3.358 4.091 . 0 0 "[ . 1 . 2]" 1
169 1 28 LEU HA 1 34 ASP H . . 6.000 4.913 4.727 5.171 . 0 0 "[ . 1 . 2]" 1
170 1 37 CYS HA 1 40 GLN H . . 6.000 4.470 4.267 4.937 . 0 0 "[ . 1 . 2]" 1
171 1 29 GLU HA 1 30 LYS H . . 4.020 2.171 2.141 2.186 . 0 0 "[ . 1 . 2]" 1
172 1 12 THR HA 1 30 LYS H . . 4.170 3.166 2.846 3.498 . 0 0 "[ . 1 . 2]" 1
173 1 30 LYS H 1 31 ASP HA . . 5.660 4.999 4.973 5.097 . 0 0 "[ . 1 . 2]" 1
174 1 13 SER HA 1 28 LEU H . . 6.000 4.613 4.492 4.751 . 0 0 "[ . 1 . 2]" 1
175 1 36 TRP HA 1 40 GLN H . . 5.720 4.065 3.825 4.175 . 0 0 "[ . 1 . 2]" 1
176 1 36 TRP HB2 1 40 GLN H . . 5.500 5.539 5.509 5.575 0.075 17 0 "[ . 1 . 2]" 1
177 1 36 TRP HB3 1 40 GLN H . . 5.500 4.998 4.520 5.510 0.010 12 0 "[ . 1 . 2]" 1
178 1 22 GLU HA 1 23 ASP H . . 3.860 2.503 2.459 2.509 . 0 0 "[ . 1 . 2]" 1
179 1 18 ARG HA 1 22 GLU H . . 4.880 4.476 4.356 4.527 . 0 0 "[ . 1 . 2]" 1
180 1 20 ASP HA 1 22 GLU H . . 6.000 4.392 4.379 4.408 . 0 0 "[ . 1 . 2]" 1
181 1 19 LEU HA 1 22 GLU H . . 6.000 4.327 4.306 4.337 . 0 0 "[ . 1 . 2]" 1
182 1 19 LEU HA 1 21 GLY H . . 5.940 3.143 3.123 3.172 . 0 0 "[ . 1 . 2]" 1
183 1 18 ARG HA 1 21 GLY H . . 6.000 5.288 5.159 5.374 . 0 0 "[ . 1 . 2]" 1
184 1 14 THR HA 1 15 TRP H . . 4.050 2.285 2.189 2.405 . 0 0 "[ . 1 . 2]" 1
185 1 14 THR HB 1 15 TRP H . . 5.910 3.295 2.385 4.040 . 0 0 "[ . 1 . 2]" 1
186 1 20 ASP H 1 22 GLU H . . 6.000 4.229 4.220 4.235 . 0 0 "[ . 1 . 2]" 1
187 1 46 GLY HA2 1 56 HIS H . . 6.000 4.908 4.596 5.199 . 0 0 "[ . 1 . 2]" 1
188 1 44 THR HA 1 56 HIS H . . 5.940 3.846 3.704 4.093 . 0 0 "[ . 1 . 2]" 1
189 1 18 ARG HA 1 19 LEU H . . 3.800 2.235 2.224 2.256 . 0 0 "[ . 1 . 2]" 1
190 1 91 GLU HA 1 92 LEU H . . 4.020 2.302 2.143 2.681 . 0 0 "[ . 1 . 2]" 1
191 1 91 GLU HB2 1 92 LEU H . . 5.100 4.130 2.958 4.647 . 0 0 "[ . 1 . 2]" 1
192 1 91 GLU HB3 1 92 LEU H . . 5.100 3.659 2.082 4.352 . 0 0 "[ . 1 . 2]" 1
193 1 15 TRP HA 1 92 LEU H . . 5.160 3.331 2.624 4.531 . 0 0 "[ . 1 . 2]" 1
194 1 18 ARG H 1 19 LEU H . . 5.690 4.162 4.124 4.184 . 0 0 "[ . 1 . 2]" 1
195 1 69 VAL H 1 69 VAL HB . . 4.390 2.902 2.782 2.938 . 0 0 "[ . 1 . 2]" 1
196 1 34 ASP HB3 1 35 VAL H . . 4.540 3.324 2.777 4.079 . 0 0 "[ . 1 . 2]" 1
197 1 64 CYS HA 1 84 VAL H . . 6.000 5.016 4.770 5.181 . 0 0 "[ . 1 . 2]" 1
198 1 90 PRO HA 1 91 GLU H . . 3.920 2.175 2.153 2.227 . 0 0 "[ . 1 . 2]" 1
199 1 92 LEU HA 1 93 THR H . . 3.950 2.644 2.139 3.567 . 0 0 "[ . 1 . 2]" 1
200 1 88 GLU HA 1 89 ILE H . . 3.950 2.244 2.208 2.248 . 0 0 "[ . 1 . 2]" 1
201 1 87 ARG HA 1 88 GLU H . . 3.740 2.153 2.142 2.166 . 0 0 "[ . 1 . 2]" 1
202 1 86 ASN H 1 87 ARG HA . . 6.000 5.308 5.291 5.361 . 0 0 "[ . 1 . 2]" 1
203 1 84 VAL HA 1 85 ASP H . . 3.980 2.149 2.139 2.179 . 0 0 "[ . 1 . 2]" 1
204 1 83 ILE HA 1 84 VAL H . . 4.020 2.148 2.140 2.168 . 0 0 "[ . 1 . 2]" 1
205 1 53 THR HA 1 54 GLU H . . 4.020 2.164 2.162 2.173 . 0 0 "[ . 1 . 2]" 1
206 1 53 THR HB 1 54 GLU H . . 4.640 3.612 3.582 3.616 . 0 0 "[ . 1 . 2]" 1
207 1 54 GLU HB2 1 55 THR H . . 5.320 4.342 3.956 4.644 . 0 0 "[ . 1 . 2]" 1
208 1 54 GLU HB3 1 55 THR H . . 5.320 3.889 3.201 4.035 . 0 0 "[ . 1 . 2]" 1
209 1 56 HIS HA 1 57 PHE H . . 4.020 2.157 2.143 2.168 . 0 0 "[ . 1 . 2]" 1
210 1 56 HIS HB2 1 57 PHE H . . 4.360 4.349 4.279 4.390 0.030 14 0 "[ . 1 . 2]" 1
211 1 60 GLY HA3 1 62 HIS H . . 5.750 3.733 3.561 3.991 . 0 0 "[ . 1 . 2]" 1
212 1 67 LYS HA 1 68 ALA H . . 3.860 2.175 2.159 2.178 . 0 0 "[ . 1 . 2]" 1
213 1 49 VAL H 1 53 THR HA . . 4.880 3.102 2.244 3.317 . 0 0 "[ . 1 . 2]" 1
214 1 49 VAL H 1 53 THR HB . . 6.000 5.895 5.136 6.009 0.009 13 0 "[ . 1 . 2]" 1
215 1 48 PHE HB2 1 49 VAL H . . 5.750 3.952 2.756 4.568 . 0 0 "[ . 1 . 2]" 1
216 1 48 PHE HB3 1 49 VAL H . . 5.750 3.927 2.728 4.391 . 0 0 "[ . 1 . 2]" 1
217 1 58 SER HA 1 64 CYS H . . 4.950 3.198 2.734 3.688 . 0 0 "[ . 1 . 2]" 1
218 1 58 SER HA 1 59 VAL H . . 3.920 2.309 2.142 2.445 . 0 0 "[ . 1 . 2]" 1
219 1 66 ILE HA 1 67 LYS H . . 3.950 2.145 2.139 2.148 . 0 0 "[ . 1 . 2]" 1
220 1 63 ASP H 1 85 ASP HA . . 6.000 4.875 4.102 6.011 0.011 14 0 "[ . 1 . 2]" 1
221 1 67 LYS H 1 82 LEU HA . . 5.750 3.270 3.197 3.398 . 0 0 "[ . 1 . 2]" 1
222 1 68 ALA HA 1 79 ILE H . . 4.670 4.664 4.571 4.683 0.013 18 0 "[ . 1 . 2]" 1
223 1 59 VAL H 1 63 ASP HA . . 5.840 3.618 3.212 4.088 . 0 0 "[ . 1 . 2]" 1
224 1 60 GLY HA2 1 62 HIS H . . 5.750 4.589 4.323 5.034 . 0 0 "[ . 1 . 2]" 1
225 1 13 SER HA 1 14 THR H . . 3.920 2.275 2.138 2.318 . 0 0 "[ . 1 . 2]" 1
226 1 55 THR H 1 67 LYS HA . . 4.950 3.936 3.671 4.137 . 0 0 "[ . 1 . 2]" 1
227 1 43 GLU H 1 57 PHE HA . . 4.450 4.513 4.465 4.584 0.134 11 0 "[ . 1 . 2]" 1
228 1 37 CYS H 1 41 LYS HA . . 5.470 3.931 3.643 4.223 . 0 0 "[ . 1 . 2]" 1
229 1 32 THR H 1 34 ASP H . . 5.040 2.998 2.891 3.093 . 0 0 "[ . 1 . 2]" 1
230 1 29 GLU H 1 33 MET HA . . 6.000 4.404 4.203 4.559 . 0 0 "[ . 1 . 2]" 1
231 1 29 GLU H 1 30 LYS HA . . 6.000 5.403 5.341 5.451 . 0 0 "[ . 1 . 2]" 1
232 1 29 GLU H 1 34 ASP HA . . 6.000 5.204 5.053 5.329 . 0 0 "[ . 1 . 2]" 1
233 1 22 GLU H 1 23 ASP QB . . 6.880 6.016 5.923 6.133 . 0 0 "[ . 1 . 2]" 1
234 1 22 GLU H 1 23 ASP HA . . 5.470 5.031 5.018 5.037 . 0 0 "[ . 1 . 2]" 1
235 1 14 THR HA 1 26 VAL H . . 5.410 4.921 4.797 5.191 . 0 0 "[ . 1 . 2]" 1
236 1 19 LEU H 1 20 ASP H . . 6.000 4.473 4.457 4.489 . 0 0 "[ . 1 . 2]" 1
237 1 35 VAL H 1 41 LYS HA . . 6.000 5.360 4.777 5.648 . 0 0 "[ . 1 . 2]" 1
238 1 93 THR H 1 93 THR HB . . 4.360 3.619 2.514 4.055 . 0 0 "[ . 1 . 2]" 1
239 1 85 ASP HB2 1 86 ASN H . . 6.000 4.469 4.242 4.567 . 0 0 "[ . 1 . 2]" 1
240 1 85 ASP HB3 1 86 ASN H . . 6.000 4.219 4.137 4.374 . 0 0 "[ . 1 . 2]" 1
241 1 86 ASN H 1 87 ARG QB . . 6.880 4.573 4.391 4.853 . 0 0 "[ . 1 . 2]" 1
242 1 89 ILE H 1 89 ILE HB . . 3.640 2.638 2.617 2.669 . 0 0 "[ . 1 . 2]" 1
243 1 29 GLU H 1 33 MET H . . 6.000 5.001 4.850 5.134 . 0 0 "[ . 1 . 2]" 1
244 1 69 VAL HB 1 70 SER H . . 5.220 4.148 4.009 4.232 . 0 0 "[ . 1 . 2]" 1
245 1 71 SER H 1 78 ILE HA . . 5.910 3.055 2.813 3.360 . 0 0 "[ . 1 . 2]" 1
246 1 59 VAL HB 1 60 GLY H . . 6.000 4.385 4.142 4.456 . 0 0 "[ . 1 . 2]" 1
247 1 16 VAL H 1 91 GLU HA . . 5.910 4.563 4.050 4.722 . 0 0 "[ . 1 . 2]" 1
248 1 14 THR H 1 91 GLU HA . . 6.000 4.235 4.037 4.729 . 0 0 "[ . 1 . 2]" 1
249 1 11 THR H 1 12 THR H . . 5.010 2.867 1.907 4.611 . 0 0 "[ . 1 . 2]" 1
250 1 65 TYR HB3 1 66 ILE H . . 4.080 4.054 3.973 4.129 0.049 7 0 "[ . 1 . 2]" 1
251 1 65 TYR HB2 1 66 ILE H . . 4.080 2.867 2.728 2.951 . 0 0 "[ . 1 . 2]" 1
252 1 34 ASP HB2 1 35 VAL H . . 4.540 4.007 2.713 4.353 . 0 0 "[ . 1 . 2]" 1
253 1 56 HIS HB3 1 57 PHE H . . 4.360 3.719 3.615 3.786 . 0 0 "[ . 1 . 2]" 1
254 1 25 ARG HB2 1 26 VAL H . . 4.950 4.489 4.282 4.574 . 0 0 "[ . 1 . 2]" 1
255 1 25 ARG HB3 1 26 VAL H . . 4.950 4.136 3.842 4.403 . 0 0 "[ . 1 . 2]" 1
256 1 23 ASP H 1 23 ASP HA . . 3.090 2.839 2.832 2.845 . 0 0 "[ . 1 . 2]" 1
257 1 20 ASP HB2 1 21 GLY H . . 5.440 4.244 4.081 4.381 . 0 0 "[ . 1 . 2]" 1
258 1 20 ASP HB3 1 21 GLY H . . 5.440 3.931 3.854 4.043 . 0 0 "[ . 1 . 2]" 1
259 1 29 GLU HB2 1 30 LYS H . . 6.000 4.413 4.378 4.513 . 0 0 "[ . 1 . 2]" 1
260 1 63 ASP HB3 1 64 CYS H . . 5.750 4.121 3.742 4.487 . 0 0 "[ . 1 . 2]" 1
261 1 63 ASP HB2 1 64 CYS H . . 5.750 4.407 3.490 4.630 . 0 0 "[ . 1 . 2]" 1
262 1 43 GLU HB3 1 44 THR H . . 4.980 4.002 3.752 4.479 . 0 0 "[ . 1 . 2]" 1
263 1 43 GLU H 1 43 GLU HB3 . . 4.360 3.221 2.508 3.534 . 0 0 "[ . 1 . 2]" 1
264 1 29 GLU HB3 1 30 LYS H . . 6.000 3.542 3.441 3.737 . 0 0 "[ . 1 . 2]" 1
265 1 84 VAL H 1 86 ASN H . . 5.910 4.479 4.332 4.794 . 0 0 "[ . 1 . 2]" 1
266 1 15 TRP HE1 1 91 GLU H . . 5.720 4.041 3.645 4.508 . 0 0 "[ . 1 . 2]" 1
267 1 15 TRP HE3 1 26 VAL H . . 5.780 4.492 4.221 4.665 . 0 0 "[ . 1 . 2]" 1
268 1 15 TRP HZ2 1 82 LEU H . . 6.000 3.285 3.091 3.440 . 0 0 "[ . 1 . 2]" 1
269 1 15 TRP HE1 1 82 LEU H . . 3.550 2.747 2.523 2.909 . 0 0 "[ . 1 . 2]" 1
270 1 15 TRP HE3 1 28 LEU H . . 6.000 4.446 4.128 4.753 . 0 0 "[ . 1 . 2]" 1
271 1 15 TRP HE1 1 92 LEU H . . 6.000 5.191 5.000 5.684 . 0 0 "[ . 1 . 2]" 1
272 1 48 PHE QD 1 49 VAL H . . 8.130 3.787 2.675 4.407 . 0 0 "[ . 1 . 2]" 1
273 1 45 ALA H 1 56 HIS HB2 . . 6.000 3.361 3.198 3.726 . 0 0 "[ . 1 . 2]" 1
274 1 12 THR HB 1 28 LEU H . . 5.810 4.731 4.303 5.042 . 0 0 "[ . 1 . 2]" 1
275 1 13 SER HB2 1 28 LEU H . . 5.750 3.708 3.359 4.579 . 0 0 "[ . 1 . 2]" 1
276 1 13 SER HB3 1 28 LEU H . . 5.750 3.966 3.044 4.945 . 0 0 "[ . 1 . 2]" 1
277 1 29 GLU HB2 1 34 ASP H . . 4.140 4.076 3.778 4.143 0.003 17 0 "[ . 1 . 2]" 1
278 1 29 GLU HB3 1 34 ASP H . . 4.140 3.721 3.300 3.874 . 0 0 "[ . 1 . 2]" 1
279 1 24 LEU HA 1 38 ASN HD21 . . 4.920 3.691 2.631 4.783 . 0 0 "[ . 1 . 2]" 1
280 1 24 LEU QB 1 38 ASN HD21 . . 6.880 4.465 4.085 5.161 . 0 0 "[ . 1 . 2]" 1
281 1 24 LEU QB 1 38 ASN HD22 . . 6.880 4.046 3.411 4.824 . 0 0 "[ . 1 . 2]" 1
282 1 24 LEU HA 1 38 ASN HD22 . . 4.920 2.997 1.942 4.639 . 0 0 "[ . 1 . 2]" 1
283 1 43 GLU H 1 43 GLU HG3 . . 4.390 4.075 3.664 4.415 0.025 9 0 "[ . 1 . 2]" 1
284 1 43 GLU H 1 43 GLU HG2 . . 4.390 4.353 4.286 4.410 0.020 1 0 "[ . 1 . 2]" 1
285 1 15 TRP H 1 15 TRP HE3 . . 3.830 3.228 2.669 3.531 . 0 0 "[ . 1 . 2]" 1
286 1 13 SER H 1 28 LEU HB3 . . 5.660 3.063 2.765 3.294 . 0 0 "[ . 1 . 2]" 1
287 1 13 SER H 1 28 LEU HB2 . . 5.660 4.719 4.451 4.900 . 0 0 "[ . 1 . 2]" 1
288 1 57 PHE H 1 57 PHE HZ . . 6.000 5.132 5.026 5.415 . 0 0 "[ . 1 . 2]" 1
289 1 57 PHE H 1 65 TYR QD . . 8.130 5.175 4.881 5.669 . 0 0 "[ . 1 . 2]" 1
290 1 15 TRP H 1 15 TRP HZ3 . . 6.000 5.214 4.678 5.514 . 0 0 "[ . 1 . 2]" 1
291 1 57 PHE QR 1 58 SER H . . 8.460 3.949 3.065 4.582 . 0 0 "[ . 1 . 2]" 1
292 1 25 ARG H 1 38 ASN HD21 . . 5.220 4.081 2.648 5.235 0.015 10 0 "[ . 1 . 2]" 1
293 1 80 HIS H 1 80 HIS HD2 . . 6.000 4.692 4.474 4.998 . 0 0 "[ . 1 . 2]" 1
294 1 56 HIS H 1 56 HIS HD2 . . 4.480 2.966 2.443 3.300 . 0 0 "[ . 1 . 2]" 1
295 1 79 ILE H 1 79 ILE HG12 . . 4.760 4.169 3.859 4.494 . 0 0 "[ . 1 . 2]" 1
296 1 55 THR H 1 65 TYR QD . . 8.130 4.406 3.723 4.792 . 0 0 "[ . 1 . 2]" 1
297 1 15 TRP HE1 1 81 THR HA . . 4.790 2.945 2.610 3.233 . 0 0 "[ . 1 . 2]" 1
298 1 15 TRP HE1 1 91 GLU HA . . 4.850 3.275 3.205 3.698 . 0 0 "[ . 1 . 2]" 1
299 1 56 HIS H 1 65 TYR QD . . 8.130 6.079 5.549 6.490 . 0 0 "[ . 1 . 2]" 1
300 1 15 TRP HD1 1 91 GLU H . . 4.420 3.620 3.480 3.773 . 0 0 "[ . 1 . 2]" 1
301 1 45 ALA H 1 57 PHE QR . . 8.460 4.426 3.964 4.988 . 0 0 "[ . 1 . 2]" 1
302 1 78 ILE H 1 78 ILE HG12 . . 4.450 3.910 3.693 4.071 . 0 0 "[ . 1 . 2]" 1
303 1 15 TRP H 1 15 TRP HD1 . . 6.000 5.133 4.981 5.282 . 0 0 "[ . 1 . 2]" 1
304 1 15 TRP HE3 1 27 VAL H . . 6.000 4.308 4.088 4.540 . 0 0 "[ . 1 . 2]" 1
305 1 69 VAL H 1 80 HIS HD2 . . 6.000 4.560 4.233 4.889 . 0 0 "[ . 1 . 2]" 1
306 1 68 ALA H 1 80 HIS HD2 . . 6.000 4.741 4.600 4.852 . 0 0 "[ . 1 . 2]" 1
307 1 65 TYR QD 1 68 ALA H . . 8.130 5.289 5.082 5.599 . 0 0 "[ . 1 . 2]" 1
308 1 15 TRP HE1 1 89 ILE H . . 5.690 5.612 5.311 5.724 0.034 15 0 "[ . 1 . 2]" 1
309 1 80 HIS HD2 1 81 THR H . . 5.910 5.019 4.847 5.240 . 0 0 "[ . 1 . 2]" 1
310 1 15 TRP HD1 1 82 LEU H . . 5.010 3.945 3.755 4.307 . 0 0 "[ . 1 . 2]" 1
311 1 82 LEU H 1 82 LEU HG . . 5.690 4.352 4.284 4.405 . 0 0 "[ . 1 . 2]" 1
312 1 15 TRP HZ3 1 28 LEU H . . 3.550 3.343 2.790 3.559 0.009 15 0 "[ . 1 . 2]" 1
313 1 28 LEU H 1 28 LEU HG . . 4.200 4.363 4.337 4.389 0.189 20 0 "[ . 1 . 2]" 1
314 1 15 TRP HD1 1 92 LEU H . . 5.470 4.263 3.804 4.767 . 0 0 "[ . 1 . 2]" 1
315 1 57 PHE QR 1 64 CYS H . . 8.460 3.746 3.283 4.204 . 0 0 "[ . 1 . 2]" 1
316 1 64 CYS H 1 65 TYR QD . . 7.450 4.786 4.146 5.123 . 0 0 "[ . 1 . 2]" 1
317 1 15 TRP QB 1 26 VAL H . . 5.270 3.501 3.194 3.666 . 0 0 "[ . 1 . 2]" 1
318 1 25 ARG QD 1 26 VAL H . . 6.880 5.091 4.608 5.301 . 0 0 "[ . 1 . 2]" 1
319 1 13 SER H 1 15 TRP HH2 . . 5.780 4.930 4.580 5.208 . 0 0 "[ . 1 . 2]" 1
320 1 62 HIS H 1 62 HIS HD2 . . 4.110 3.986 3.470 4.117 0.007 4 0 "[ . 1 . 2]" 1
321 1 42 MET H 1 42 MET HG2 . . 4.050 3.013 2.321 3.966 . 0 0 "[ . 1 . 2]" 1
322 1 42 MET H 1 42 MET HG3 . . 4.050 3.617 2.443 4.079 0.029 10 0 "[ . 1 . 2]" 1
323 1 35 VAL HB 1 42 MET H . . 4.200 4.107 3.911 4.234 0.034 9 0 "[ . 1 . 2]" 1
324 1 41 LYS HG3 1 42 MET H . . 4.820 3.483 2.183 4.767 . 0 0 "[ . 1 . 2]" 1
325 1 41 LYS HG2 1 42 MET H . . 4.820 3.295 1.996 4.676 . 0 0 "[ . 1 . 2]" 1
326 1 79 ILE H 1 79 ILE HG13 . . 4.760 2.942 2.700 3.234 . 0 0 "[ . 1 . 2]" 1
327 1 15 TRP QB 1 92 LEU H . . 6.880 5.052 4.539 5.911 . 0 0 "[ . 1 . 2]" 1
328 1 17 LEU H 1 17 LEU HG . . 3.920 2.811 2.782 2.852 . 0 0 "[ . 1 . 2]" 1
329 1 15 TRP HD1 1 89 ILE H . . 6.000 5.220 4.980 5.380 . 0 0 "[ . 1 . 2]" 1
330 1 54 GLU H 1 54 GLU HG2 . . 4.610 3.518 3.255 4.182 . 0 0 "[ . 1 . 2]" 1
331 1 54 GLU H 1 54 GLU HG3 . . 4.610 2.411 2.079 3.809 . 0 0 "[ . 1 . 2]" 1
332 1 44 THR HB 1 56 HIS H . . 5.970 3.046 2.758 3.659 . 0 0 "[ . 1 . 2]" 1
333 1 57 PHE H 1 65 TYR HB2 . . 5.720 3.821 3.109 4.272 . 0 0 "[ . 1 . 2]" 1
334 1 57 PHE H 1 65 TYR HB3 . . 5.720 3.428 3.133 3.929 . 0 0 "[ . 1 . 2]" 1
335 1 57 PHE QR 1 66 ILE H . . 8.460 2.283 1.979 2.812 . 0 0 "[ . 1 . 2]" 1
336 1 65 TYR QD 1 66 ILE H . . 8.130 3.738 3.388 4.044 . 0 0 "[ . 1 . 2]" 1
337 1 56 HIS H 1 65 TYR HB2 . . 6.000 4.714 4.408 5.110 . 0 0 "[ . 1 . 2]" 1
338 1 56 HIS H 1 65 TYR HB3 . . 6.000 5.541 5.019 6.018 0.018 20 0 "[ . 1 . 2]" 1
339 1 61 ASN H 1 61 ASN HD22 . . 6.000 5.490 4.445 5.922 . 0 0 "[ . 1 . 2]" 1
340 1 61 ASN H 1 61 ASN HD21 . . 6.000 4.453 2.837 5.042 . 0 0 "[ . 1 . 2]" 1
341 1 25 ARG H 1 38 ASN HD22 . . 5.220 3.895 2.475 5.136 . 0 0 "[ . 1 . 2]" 1
342 1 47 GLU H 1 53 THR HB . . 5.750 5.396 3.903 5.756 0.006 7 0 "[ . 1 . 2]" 1
343 1 55 THR HB 1 66 ILE H . . 4.110 2.730 2.440 2.967 . 0 0 "[ . 1 . 2]" 1
344 1 70 SER HB2 1 79 ILE H . . 5.660 5.636 5.562 5.662 0.002 9 0 "[ . 1 . 2]" 1
345 1 70 SER HB3 1 79 ILE H . . 5.660 5.623 5.384 5.661 0.001 13 0 "[ . 1 . 2]" 1
346 1 53 THR HB 1 68 ALA H . . 5.840 4.489 4.115 5.040 . 0 0 "[ . 1 . 2]" 1
347 1 14 THR HB 1 92 LEU H . . 6.000 3.848 2.891 5.405 . 0 0 "[ . 1 . 2]" 1
348 1 28 LEU HG 1 29 GLU H . . 4.610 4.197 4.049 4.292 . 0 0 "[ . 1 . 2]" 1
349 1 15 TRP HD1 1 16 VAL H . . 6.000 4.391 4.030 4.601 . 0 0 "[ . 1 . 2]" 1
350 1 78 ILE H 1 78 ILE HG13 . . 4.450 2.795 2.537 3.088 . 0 0 "[ . 1 . 2]" 1
351 1 45 ALA H 1 56 HIS HB3 . . 6.000 4.767 4.550 5.149 . 0 0 "[ . 1 . 2]" 1
352 1 15 TRP HE1 1 82 LEU HA . . 6.000 5.465 5.292 5.629 . 0 0 "[ . 1 . 2]" 1
353 1 15 TRP HE1 1 82 LEU HB2 . . 5.290 4.401 4.200 4.491 . 0 0 "[ . 1 . 2]" 1
354 1 15 TRP HE1 1 82 LEU HB3 . . 5.290 3.798 3.561 3.914 . 0 0 "[ . 1 . 2]" 1
355 1 15 TRP HE1 1 91 GLU HB2 . . 4.880 2.405 1.948 4.567 . 0 0 "[ . 1 . 2]" 1
356 1 15 TRP HE1 1 91 GLU HB3 . . 4.880 3.935 3.656 4.245 . 0 0 "[ . 1 . 2]" 1
357 1 43 GLU HG3 1 44 THR H . . 5.160 4.666 3.129 5.143 . 0 0 "[ . 1 . 2]" 1
358 1 43 GLU HG2 1 44 THR H . . 5.160 3.950 3.569 4.540 . 0 0 "[ . 1 . 2]" 1
359 1 86 ASN H 1 87 ARG QG . . 6.880 4.896 4.097 5.576 . 0 0 "[ . 1 . 2]" 1
360 1 28 LEU HG 1 33 MET H . . 6.000 5.442 5.381 5.500 . 0 0 "[ . 1 . 2]" 1
361 1 17 LEU HG 1 18 ARG H . . 4.050 4.025 3.972 4.059 0.009 16 0 "[ . 1 . 2]" 1
362 1 14 THR H 1 91 GLU HB2 . . 5.100 4.883 4.350 5.119 0.019 19 0 "[ . 1 . 2]" 1
363 1 14 THR H 1 91 GLU HB3 . . 5.100 4.799 3.453 5.111 0.011 7 0 "[ . 1 . 2]" 1
364 1 14 THR H 1 15 TRP HH2 . . 6.000 5.573 5.310 5.945 . 0 0 "[ . 1 . 2]" 1
365 1 87 ARG H 1 87 ARG QG . . 4.280 3.480 2.962 3.895 . 0 0 "[ . 1 . 2]" 1
366 1 69 VAL HB 1 79 ILE H . . 3.770 3.747 3.619 3.773 0.003 7 0 "[ . 1 . 2]" 1
367 1 25 ARG HG2 1 26 VAL H . . 4.200 3.720 3.170 4.180 . 0 0 "[ . 1 . 2]" 1
368 1 25 ARG HG3 1 26 VAL H . . 4.200 3.535 2.870 4.130 . 0 0 "[ . 1 . 2]" 1
369 1 83 ILE H 1 83 ILE HG12 . . 3.800 3.819 3.813 3.827 0.027 13 0 "[ . 1 . 2]" 1
370 1 83 ILE H 1 83 ILE HG13 . . 3.800 3.042 3.000 3.082 . 0 0 "[ . 1 . 2]" 1
371 1 29 GLU HG3 1 30 LYS H . . 5.260 3.258 2.896 3.514 . 0 0 "[ . 1 . 2]" 1
372 1 12 THR HB 1 30 LYS H . . 6.000 5.071 4.929 5.256 . 0 0 "[ . 1 . 2]" 1
373 1 18 ARG H 1 18 ARG HD3 . . 6.000 4.924 3.269 5.949 . 0 0 "[ . 1 . 2]" 1
374 1 18 ARG H 1 18 ARG HD2 . . 6.000 4.547 2.369 5.055 . 0 0 "[ . 1 . 2]" 1
375 1 29 GLU HG2 1 30 LYS H . . 5.260 3.822 3.469 4.168 . 0 0 "[ . 1 . 2]" 1
376 1 29 GLU HG3 1 31 ASP H . . 5.410 3.829 3.374 4.045 . 0 0 "[ . 1 . 2]" 1
377 1 29 GLU HG2 1 31 ASP H . . 5.410 3.145 2.738 3.332 . 0 0 "[ . 1 . 2]" 1
378 1 47 GLU QG 1 48 PHE H . . 5.890 3.462 2.315 4.264 . 0 0 "[ . 1 . 2]" 1
379 1 29 GLU HG2 1 32 THR H . . 5.720 4.665 4.361 4.834 . 0 0 "[ . 1 . 2]" 1
380 1 29 GLU HG3 1 32 THR H . . 5.720 5.656 5.377 5.722 0.002 20 0 "[ . 1 . 2]" 1
381 1 30 LYS H 1 30 LYS QE . . 5.390 4.755 4.523 4.863 . 0 0 "[ . 1 . 2]" 1
382 1 57 PHE QR 1 59 VAL H . . 8.460 4.750 3.462 5.236 . 0 0 "[ . 1 . 2]" 1
383 1 24 LEU MD2 1 38 ASN HD22 . . 6.060 4.517 3.336 5.091 . 0 0 "[ . 1 . 2]" 1
384 1 24 LEU MD2 1 38 ASN HD21 . . 6.060 4.232 3.281 4.973 . 0 0 "[ . 1 . 2]" 1
385 1 13 SER H 1 28 LEU MD2 . . 6.650 4.654 4.376 4.921 . 0 0 "[ . 1 . 2]" 1
386 1 13 SER H 1 28 LEU MD1 . . 5.660 4.677 4.657 4.698 . 0 0 "[ . 1 . 2]" 1
387 1 12 THR MG 1 13 SER H . . 5.250 3.578 3.507 3.599 . 0 0 "[ . 1 . 2]" 1
388 1 79 ILE H 1 79 ILE MD . . 4.970 3.788 3.100 4.082 . 0 0 "[ . 1 . 2]" 1
389 1 63 ASP H 1 84 VAL MG1 . . 7.020 3.755 3.433 5.068 . 0 0 "[ . 1 . 2]" 1
390 1 45 ALA H 1 55 THR MG . . 5.560 3.147 2.749 3.430 . 0 0 "[ . 1 . 2]" 1
391 1 78 ILE MG 1 79 ILE H . . 5.160 2.248 1.994 2.471 . 0 0 "[ . 1 . 2]" 1
392 1 42 MET ME 1 58 SER H . . 6.620 3.656 2.593 4.270 . 0 0 "[ . 1 . 2]" 1
393 1 35 VAL MG1 1 36 TRP H . . 5.000 2.532 2.181 2.882 . 0 0 "[ . 1 . 2]" 1
394 1 35 VAL MG2 1 36 TRP H . . 5.870 4.025 3.942 4.137 . 0 0 "[ . 1 . 2]" 1
395 1 68 ALA MB 1 69 VAL H . . 4.790 2.833 2.754 3.055 . 0 0 "[ . 1 . 2]" 1
396 1 84 VAL MG1 1 85 ASP H . . 5.040 2.559 2.162 2.803 . 0 0 "[ . 1 . 2]" 1
397 1 49 VAL MG2 1 52 GLY H . . 5.650 2.773 1.874 3.258 . 0 0 "[ . 1 . 2]" 1
398 1 49 VAL MG1 1 50 ASP H . . 5.690 3.475 3.367 3.560 . 0 0 "[ . 1 . 2]" 1
399 1 49 VAL MG2 1 50 ASP H . . 5.930 3.146 3.019 3.283 . 0 0 "[ . 1 . 2]" 1
400 1 49 VAL MG2 1 51 ASP H . . 5.130 2.081 1.909 2.241 . 0 0 "[ . 1 . 2]" 1
401 1 49 VAL MG1 1 51 ASP H . . 5.930 4.273 4.144 4.485 . 0 0 "[ . 1 . 2]" 1
402 1 82 LEU H 1 89 ILE MG . . 5.340 4.392 4.377 4.415 . 0 0 "[ . 1 . 2]" 1
403 1 28 LEU MD2 1 29 GLU H . . 6.240 4.936 4.775 5.028 . 0 0 "[ . 1 . 2]" 1
404 1 27 VAL MG1 1 28 LEU H . . 4.880 2.396 2.053 2.689 . 0 0 "[ . 1 . 2]" 1
405 1 35 VAL MG1 1 37 CYS H . . 7.020 4.099 3.577 4.506 . 0 0 "[ . 1 . 2]" 1
406 1 35 VAL MG1 1 42 MET H . . 7.020 4.483 3.939 4.840 . 0 0 "[ . 1 . 2]" 1
407 1 69 VAL H 1 78 ILE MG . . 4.380 2.864 2.676 3.121 . 0 0 "[ . 1 . 2]" 1
408 1 53 THR MG 1 54 GLU H . . 4.910 2.870 2.691 2.983 . 0 0 "[ . 1 . 2]" 1
409 1 49 VAL MG2 1 54 GLU H . . 5.220 3.778 2.986 4.060 . 0 0 "[ . 1 . 2]" 1
410 1 49 VAL MG1 1 54 GLU H . . 5.470 3.570 2.240 4.226 . 0 0 "[ . 1 . 2]" 1
411 1 55 THR H 1 66 ILE MG . . 6.490 3.724 3.451 4.107 . 0 0 "[ . 1 . 2]" 1
412 1 55 THR H 1 66 ILE MD . . 7.020 5.575 5.388 5.723 . 0 0 "[ . 1 . 2]" 1
413 1 45 ALA MB 1 56 HIS H . . 6.030 2.239 1.920 3.991 . 0 0 "[ . 1 . 2]" 1
414 1 55 THR MG 1 56 HIS H . . 5.470 3.357 3.221 3.440 . 0 0 "[ . 1 . 2]" 1
415 1 44 THR MG 1 56 HIS H . . 7.020 4.391 4.149 4.863 . 0 0 "[ . 1 . 2]" 1
416 1 49 VAL H 1 53 THR MG . . 6.490 3.739 3.411 3.951 . 0 0 "[ . 1 . 2]" 1
417 1 49 VAL H 1 49 VAL MG2 . . 4.690 2.124 1.999 2.304 . 0 0 "[ . 1 . 2]" 1
418 1 47 GLU H 1 53 THR MG . . 6.340 3.495 2.037 3.999 . 0 0 "[ . 1 . 2]" 1
419 1 53 THR H 1 68 ALA MB . . 5.440 2.280 1.930 2.798 . 0 0 "[ . 1 . 2]" 1
420 1 35 VAL MG2 1 44 THR H . . 7.020 4.884 4.536 5.083 . 0 0 "[ . 1 . 2]" 1
421 1 44 THR H 1 45 ALA MB . . 7.020 5.616 4.767 5.747 . 0 0 "[ . 1 . 2]" 1
422 1 44 THR H 1 55 THR MG . . 7.020 4.596 4.436 4.878 . 0 0 "[ . 1 . 2]" 1
423 1 28 LEU MD1 1 34 ASP H . . 6.180 3.114 2.955 3.341 . 0 0 "[ . 1 . 2]" 1
424 1 28 LEU MD2 1 34 ASP H . . 7.020 5.556 5.371 5.774 . 0 0 "[ . 1 . 2]" 1
425 1 28 LEU MD1 1 29 GLU H . . 4.910 2.543 2.337 2.688 . 0 0 "[ . 1 . 2]" 1
426 1 16 VAL H 1 82 LEU MD2 . . 7.020 4.639 4.216 4.834 . 0 0 "[ . 1 . 2]" 1
427 1 19 LEU MD1 1 20 ASP H . . 5.470 4.191 4.124 4.292 . 0 0 "[ . 1 . 2]" 1
428 1 83 ILE MG 1 87 ARG H . . 4.940 1.993 1.900 2.140 . 0 0 "[ . 1 . 2]" 1
429 1 44 THR MG 1 45 ALA H . . 5.560 3.707 3.561 3.812 . 0 0 "[ . 1 . 2]" 1
430 1 28 LEU H 1 35 VAL MG1 . . 7.020 5.078 4.866 5.257 . 0 0 "[ . 1 . 2]" 1
431 1 29 GLU H 1 35 VAL MG1 . . 7.020 5.520 5.358 5.638 . 0 0 "[ . 1 . 2]" 1
432 1 92 LEU MD1 1 93 THR H . . 4.690 3.239 1.951 3.906 . 0 0 "[ . 1 . 2]" 1
433 1 15 TRP HE1 1 89 ILE MG . . 6.460 4.359 4.049 4.644 . 0 0 "[ . 1 . 2]" 1
434 1 15 TRP HE1 1 82 LEU MD2 . . 6.800 5.075 4.876 5.166 . 0 0 "[ . 1 . 2]" 1
435 1 83 ILE MD 1 88 GLU H . . 7.020 4.296 4.202 4.362 . 0 0 "[ . 1 . 2]" 1
436 1 83 ILE MG 1 88 GLU H . . 7.020 3.505 3.381 3.596 . 0 0 "[ . 1 . 2]" 1
437 1 83 ILE MG 1 86 ASN H . . 4.760 2.752 2.614 2.944 . 0 0 "[ . 1 . 2]" 1
438 1 82 LEU MD2 1 89 ILE H . . 7.020 5.389 5.353 5.415 . 0 0 "[ . 1 . 2]" 1
439 1 33 MET H 1 33 MET ME . . 6.930 5.281 4.902 5.627 . 0 0 "[ . 1 . 2]" 1
440 1 32 THR MG 1 33 MET H . . 6.740 4.415 4.277 4.474 . 0 0 "[ . 1 . 2]" 1
441 1 28 LEU MD1 1 33 MET H . . 5.900 3.562 3.504 3.644 . 0 0 "[ . 1 . 2]" 1
442 1 28 LEU MD2 1 33 MET H . . 7.020 5.627 5.546 5.720 . 0 0 "[ . 1 . 2]" 1
443 1 14 THR MG 1 15 TRP H . . 5.000 2.706 1.971 3.757 . 0 0 "[ . 1 . 2]" 1
444 1 66 ILE H 1 66 ILE MD . . 4.850 3.849 3.410 4.010 . 0 0 "[ . 1 . 2]" 1
445 1 66 ILE H 1 66 ILE MG . . 4.070 3.635 3.585 3.695 . 0 0 "[ . 1 . 2]" 1
446 1 26 VAL H 1 82 LEU MD2 . . 5.870 4.125 3.938 4.243 . 0 0 "[ . 1 . 2]" 1
447 1 19 LEU MD2 1 20 ASP H . . 5.380 2.168 2.027 2.467 . 0 0 "[ . 1 . 2]" 1
448 1 92 LEU H 1 92 LEU MD1 . . 5.720 4.134 3.543 4.450 . 0 0 "[ . 1 . 2]" 1
449 1 27 VAL H 1 27 VAL MG2 . . 4.720 2.962 2.679 3.076 . 0 0 "[ . 1 . 2]" 1
450 1 68 ALA MB 1 79 ILE H . . 7.020 4.553 4.427 4.695 . 0 0 "[ . 1 . 2]" 1
451 1 12 THR H 1 13 SER QB . . 6.880 5.268 4.863 5.547 . 0 0 "[ . 1 . 2]" 1
452 1 13 SER H 1 28 LEU QB . . 5.040 3.026 2.740 3.246 . 0 0 "[ . 1 . 2]" 1
453 1 13 SER QB 1 28 LEU H . . 5.400 3.328 2.984 3.814 . 0 0 "[ . 1 . 2]" 1
454 1 15 TRP HE1 1 82 LEU QB . . 5.070 3.583 3.414 3.683 . 0 0 "[ . 1 . 2]" 1
455 1 15 TRP HE1 1 91 GLU QB . . 4.550 2.345 1.941 3.671 . 0 0 "[ . 1 . 2]" 1
456 1 17 LEU QB 1 18 ARG H . . 4.650 2.795 2.768 2.820 . 0 0 "[ . 1 . 2]" 1
457 1 24 LEU HA 1 38 ASN QD . . 4.510 2.767 1.913 3.595 . 0 0 "[ . 1 . 2]" 1
458 1 24 LEU MD2 1 38 ASN QD . . 5.810 3.868 2.956 4.376 . 0 0 "[ . 1 . 2]" 1
459 1 25 ARG H 1 38 ASN QD . . 4.990 3.439 2.273 4.372 . 0 0 "[ . 1 . 2]" 1
460 1 25 ARG QB 1 26 VAL H . . 4.700 3.813 3.646 3.914 . 0 0 "[ . 1 . 2]" 1
461 1 25 ARG QG 1 26 VAL H . . 3.750 3.156 2.798 3.381 . 0 0 "[ . 1 . 2]" 1
462 1 29 GLU H 1 34 ASP QB . . 6.480 4.064 3.683 4.954 . 0 0 "[ . 1 . 2]" 1
463 1 29 GLU QB 1 31 ASP H . . 6.880 2.654 2.573 2.818 . 0 0 "[ . 1 . 2]" 1
464 1 29 GLU QB 1 32 THR H . . 5.540 2.964 2.914 3.017 . 0 0 "[ . 1 . 2]" 1
465 1 29 GLU QB 1 34 ASP H . . 3.890 3.445 3.141 3.545 . 0 0 "[ . 1 . 2]" 1
466 1 29 GLU QG 1 30 LYS H . . 4.930 3.079 2.807 3.291 . 0 0 "[ . 1 . 2]" 1
467 1 29 GLU QG 1 31 ASP H . . 5.220 3.003 2.683 3.133 . 0 0 "[ . 1 . 2]" 1
468 1 29 GLU QG 1 32 THR H . . 5.230 4.456 4.195 4.590 . 0 0 "[ . 1 . 2]" 1
469 1 34 ASP QB 1 35 VAL H . . 4.080 3.076 2.670 3.522 . 0 0 "[ . 1 . 2]" 1
470 1 35 VAL H 1 41 LYS QG . . 6.880 4.645 3.963 5.354 . 0 0 "[ . 1 . 2]" 1
471 1 40 GLN H 1 40 GLN QG . . 5.020 4.115 3.917 4.292 . 0 0 "[ . 1 . 2]" 1
472 1 41 LYS QG 1 42 MET H . . 4.470 2.890 1.958 3.821 . 0 0 "[ . 1 . 2]" 1
473 1 42 MET H 1 42 MET QG . . 3.600 2.780 2.274 3.193 . 0 0 "[ . 1 . 2]" 1
474 1 43 GLU H 1 57 PHE QB . . 6.660 3.154 3.032 3.288 . 0 0 "[ . 1 . 2]" 1
475 1 43 GLU QB 1 44 THR H . . 4.660 3.736 3.585 3.931 . 0 0 "[ . 1 . 2]" 1
476 1 43 GLU QG 1 44 THR H . . 4.490 3.574 3.076 3.854 . 0 0 "[ . 1 . 2]" 1
477 1 45 ALA H 1 56 HIS QB . . 5.440 3.296 3.139 3.644 . 0 0 "[ . 1 . 2]" 1
478 1 46 GLY QA 1 56 HIS H . . 5.540 4.595 3.704 4.888 . 0 0 "[ . 1 . 2]" 1
479 1 52 GLY QA 1 70 SER H . . 5.980 2.459 2.174 2.669 . 0 0 "[ . 1 . 2]" 1
480 1 54 GLU H 1 54 GLU QG . . 4.340 2.365 2.056 3.533 . 0 0 "[ . 1 . 2]" 1
481 1 54 GLU QG 1 55 THR H . . 6.880 4.470 3.780 4.522 . 0 0 "[ . 1 . 2]" 1
482 1 56 HIS QB 1 57 PHE H . . 4.010 3.520 3.437 3.568 . 0 0 "[ . 1 . 2]" 1
483 1 57 PHE H 1 65 TYR QB . . 5.300 3.189 2.781 3.631 . 0 0 "[ . 1 . 2]" 1
484 1 57 PHE QB 1 58 SER H . . 4.480 2.810 1.933 3.410 . 0 0 "[ . 1 . 2]" 1
485 1 60 GLY QA 1 62 HIS H . . 5.390 3.573 3.403 3.793 . 0 0 "[ . 1 . 2]" 1
486 1 61 ASN H 1 61 ASN QD . . 5.530 4.252 2.806 4.638 . 0 0 "[ . 1 . 2]" 1
487 1 65 TYR QB 1 66 ILE H . . 3.710 2.811 2.684 2.890 . 0 0 "[ . 1 . 2]" 1
488 1 66 ILE H 1 66 ILE QG . . 4.400 3.041 2.900 3.227 . 0 0 "[ . 1 . 2]" 1
489 1 69 VAL QG 1 70 SER H . . 6.800 2.576 2.290 2.780 . 0 0 "[ . 1 . 2]" 1
490 1 78 ILE H 1 78 ILE QG . . 4.180 2.736 2.495 2.999 . 0 0 "[ . 1 . 2]" 1
491 1 79 ILE H 1 79 ILE QG . . 4.030 2.886 2.651 3.164 . 0 0 "[ . 1 . 2]" 1
492 1 82 LEU QB 1 89 ILE H . . 6.880 4.162 4.022 4.278 . 0 0 "[ . 1 . 2]" 1
493 1 83 ILE H 1 83 ILE QG . . 3.370 2.928 2.896 2.958 . 0 0 "[ . 1 . 2]" 1
494 1 85 ASP QB 1 87 ARG H . . 6.110 4.158 4.052 4.247 . 0 0 "[ . 1 . 2]" 1
495 1 89 ILE H 1 89 ILE QG . . 4.930 2.973 2.921 3.025 . 0 0 "[ . 1 . 2]" 1
496 1 91 GLU QB 1 92 LEU H . . 4.790 3.399 2.042 3.994 . 0 0 "[ . 1 . 2]" 1
497 1 91 GLU HA 1 91 GLU HB2 . . 2.930 2.606 2.409 3.018 0.088 19 0 "[ . 1 . 2]" 1
498 1 65 TYR HA 1 65 TYR HB3 . . 2.870 2.497 2.443 2.535 . 0 0 "[ . 1 . 2]" 1
499 1 79 ILE HA 1 79 ILE HB . . 3.020 3.021 3.018 3.022 0.002 2 0 "[ . 1 . 2]" 1
500 1 67 LYS HA 1 67 LYS HB2 . . 2.900 2.600 2.381 2.790 . 0 0 "[ . 1 . 2]" 1
501 1 28 LEU HA 1 35 VAL HA . . 3.020 2.648 2.602 2.683 . 0 0 "[ . 1 . 2]" 1
502 1 35 VAL HA 1 36 TRP HB2 . . 4.660 4.240 4.092 4.442 . 0 0 "[ . 1 . 2]" 1
503 1 35 VAL HA 1 36 TRP HB3 . . 4.660 4.937 4.779 5.070 0.410 7 0 "[ . 1 . 2]" 1
504 1 14 THR HA 1 27 VAL HA . . 3.020 2.221 2.114 2.383 . 0 0 "[ . 1 . 2]" 1
505 1 26 VAL HA 1 37 CYS HA . . 2.870 2.819 2.328 2.923 0.053 13 0 "[ . 1 . 2]" 1
506 1 91 GLU HA 1 91 GLU HB3 . . 2.930 2.965 2.391 3.022 0.092 3 0 "[ . 1 . 2]" 1
507 1 30 LYS HA 1 33 MET HA . . 3.790 3.300 3.208 3.388 . 0 0 "[ . 1 . 2]" 1
508 1 65 TYR HA 1 65 TYR HB2 . . 2.870 2.412 2.376 2.463 . 0 0 "[ . 1 . 2]" 1
509 1 66 ILE HA 1 82 LEU HA . . 2.960 2.128 2.045 2.281 . 0 0 "[ . 1 . 2]" 1
510 1 64 CYS HA 1 84 VAL HA . . 2.990 2.358 2.121 2.530 . 0 0 "[ . 1 . 2]" 1
511 1 51 ASP HA 1 51 ASP HB2 . . 2.710 2.728 2.548 2.891 0.181 15 0 "[ . 1 . 2]" 1
512 1 51 ASP HA 1 51 ASP HB3 . . 2.710 2.588 2.283 2.852 0.142 6 0 "[ . 1 . 2]" 1
513 1 48 PHE HA 1 48 PHE HB2 . . 3.020 2.655 2.408 3.018 . 0 0 "[ . 1 . 2]" 1
514 1 48 PHE HA 1 48 PHE HB3 . . 3.020 2.704 2.391 3.022 0.002 5 0 "[ . 1 . 2]" 1
515 1 12 THR HA 1 13 SER HA . . 4.070 4.386 4.381 4.387 0.317 9 0 "[ . 1 . 2]" 1
516 1 36 TRP HA 1 41 LYS HA . . 2.870 2.921 2.888 2.982 0.112 12 0 "[ . 1 . 2]" 1
517 1 18 ARG HA 1 23 ASP HA . . 2.740 2.353 2.253 2.470 . 0 0 "[ . 1 . 2]" 1
518 1 12 THR HA 1 29 GLU HA . . 3.140 3.023 2.726 3.165 0.025 18 0 "[ . 1 . 2]" 1
519 1 28 LEU HA 1 33 MET HA . . 4.790 4.856 4.826 4.906 0.116 18 0 "[ . 1 . 2]" 1
520 1 86 ASN HA 1 86 ASN HB3 . . 2.960 2.861 2.327 2.962 0.002 20 0 "[ . 1 . 2]" 1
521 1 40 GLN HA 1 40 GLN HB2 . . 2.900 2.816 2.763 2.895 . 0 0 "[ . 1 . 2]" 1
522 1 67 LYS HA 1 67 LYS HB3 . . 2.900 2.960 2.904 3.018 0.118 3 0 "[ . 1 . 2]" 1
523 1 40 GLN HA 1 40 GLN HB3 . . 2.900 2.878 2.798 2.921 0.021 13 0 "[ . 1 . 2]" 1
524 1 43 GLU HA 1 43 GLU HB3 . . 3.020 2.832 2.704 3.014 . 0 0 "[ . 1 . 2]" 1
525 1 43 GLU HA 1 43 GLU HB2 . . 3.020 2.796 2.376 2.958 . 0 0 "[ . 1 . 2]" 1
526 1 58 SER HA 1 63 ASP HA . . 3.210 3.237 3.214 3.264 0.054 10 0 "[ . 1 . 2]" 1
527 1 54 GLU HA 1 54 GLU HB3 . . 2.870 2.387 2.361 2.818 . 0 0 "[ . 1 . 2]" 1
528 1 54 GLU HA 1 54 GLU HB2 . . 2.870 3.004 2.880 3.012 0.142 13 0 "[ . 1 . 2]" 1
529 1 38 ASN HA 1 38 ASN HB2 . . 2.960 2.922 2.516 2.994 0.034 18 0 "[ . 1 . 2]" 1
530 1 38 ASN HA 1 38 ASN HB3 . . 2.960 2.655 2.396 2.848 . 0 0 "[ . 1 . 2]" 1
531 1 86 ASN HA 1 86 ASN HB2 . . 2.960 2.767 2.703 3.001 0.041 1 0 "[ . 1 . 2]" 1
532 1 85 ASP HA 1 85 ASP HB3 . . 2.930 2.915 2.614 2.965 0.035 1 0 "[ . 1 . 2]" 1
533 1 70 SER HA 1 70 SER HB3 . . 2.960 2.692 2.594 2.726 . 0 0 "[ . 1 . 2]" 1
534 1 70 SER HA 1 70 SER HB2 . . 2.960 2.285 2.268 2.343 . 0 0 "[ . 1 . 2]" 1
535 1 71 SER HA 1 71 SER HB3 . . 3.020 2.591 2.243 3.020 . 0 0 "[ . 1 . 2]" 1
536 1 71 SER HA 1 71 SER HB2 . . 3.020 2.528 2.271 2.991 . 0 0 "[ . 1 . 2]" 1
537 1 69 VAL HA 1 69 VAL HB . . 2.930 3.018 3.017 3.021 0.091 15 0 "[ . 1 . 2]" 1
538 1 85 ASP HA 1 85 ASP HB2 . . 2.930 2.752 2.695 2.999 0.069 4 0 "[ . 1 . 2]" 1
539 1 52 GLY HA2 1 69 VAL HA . . 3.170 3.152 2.962 3.207 0.037 15 0 "[ . 1 . 2]" 1
540 1 52 GLY HA3 1 69 VAL HA . . 3.170 2.775 1.984 3.168 . 0 0 "[ . 1 . 2]" 1
541 1 65 TYR QE 1 67 LYS QG . . 8.520 3.147 1.979 4.767 . 0 0 "[ . 1 . 2]" 1
542 1 27 VAL HB 1 36 TRP HB3 . . 3.480 2.218 1.992 2.535 . 0 0 "[ . 1 . 2]" 1
543 1 78 ILE HA 1 78 ILE HG12 . . 4.110 2.553 2.511 2.622 . 0 0 "[ . 1 . 2]" 1
544 1 78 ILE HA 1 78 ILE HG13 . . 4.110 3.059 2.976 3.123 . 0 0 "[ . 1 . 2]" 1
545 1 66 ILE HA 1 66 ILE HG12 . . 4.140 2.525 2.420 2.898 . 0 0 "[ . 1 . 2]" 1
546 1 66 ILE HA 1 66 ILE HG13 . . 4.140 2.599 2.245 2.748 . 0 0 "[ . 1 . 2]" 1
547 1 57 PHE QR 1 66 ILE HG13 . . 7.960 2.248 1.988 3.195 . 0 0 "[ . 1 . 2]" 1
548 1 25 ARG HA 1 25 ARG HG2 . . 4.040 3.085 2.568 3.461 . 0 0 "[ . 1 . 2]" 1
549 1 25 ARG HA 1 25 ARG HG3 . . 4.040 2.326 2.109 2.663 . 0 0 "[ . 1 . 2]" 1
550 1 15 TRP HD1 1 89 ILE HB . . 5.040 3.624 3.379 3.903 . 0 0 "[ . 1 . 2]" 1
551 1 88 GLU HA 1 88 GLU HG3 . . 3.390 2.410 2.118 2.963 . 0 0 "[ . 1 . 2]" 1
552 1 27 VAL HB 1 36 TRP HB2 . . 3.480 3.169 2.876 3.484 0.004 20 0 "[ . 1 . 2]" 1
553 1 91 GLU HA 1 91 GLU HG3 . . 3.860 3.011 2.482 3.290 . 0 0 "[ . 1 . 2]" 1
554 1 91 GLU HA 1 91 GLU HG2 . . 3.860 2.470 2.089 3.638 . 0 0 "[ . 1 . 2]" 1
555 1 78 ILE HB 1 80 HIS HE1 . . 5.380 3.824 3.119 4.182 . 0 0 "[ . 1 . 2]" 1
556 1 69 VAL HB 1 79 ILE HB . . 3.790 3.475 3.237 3.727 . 0 0 "[ . 1 . 2]" 1
557 1 65 TYR QD 1 67 LYS HB2 . . 7.630 3.780 3.255 4.241 . 0 0 "[ . 1 . 2]" 1
558 1 65 TYR QD 1 67 LYS HB3 . . 7.630 5.076 4.478 5.531 . 0 0 "[ . 1 . 2]" 1
559 1 35 VAL HB 1 42 MET HG2 . . 4.910 4.212 4.030 4.683 . 0 0 "[ . 1 . 2]" 1
560 1 35 VAL HB 1 57 PHE QR . . 7.960 3.720 3.305 4.046 . 0 0 "[ . 1 . 2]" 1
561 1 28 LEU HA 1 35 VAL HB . . 5.500 5.544 5.498 5.585 0.085 1 0 "[ . 1 . 2]" 1
562 1 18 ARG HA 1 18 ARG HG3 . . 3.760 2.977 2.334 3.700 . 0 0 "[ . 1 . 2]" 1
563 1 43 GLU HA 1 43 GLU HG3 . . 3.790 2.921 2.617 3.138 . 0 0 "[ . 1 . 2]" 1
564 1 88 GLU HA 1 88 GLU HG2 . . 3.390 2.855 2.251 3.322 . 0 0 "[ . 1 . 2]" 1
565 1 14 THR HA 1 15 TRP HE3 . . 4.380 3.563 3.113 3.904 . 0 0 "[ . 1 . 2]" 1
566 1 34 ASP HB3 1 41 LYS HG3 . . 7.260 4.500 3.150 5.957 . 0 0 "[ . 1 . 2]" 1
567 1 28 LEU HG 1 30 LYS HA . . 4.850 4.277 4.111 4.380 . 0 0 "[ . 1 . 2]" 1
568 1 12 THR HB 1 29 GLU HA . . 4.970 4.069 3.887 4.254 . 0 0 "[ . 1 . 2]" 1
569 1 57 PHE QR 1 65 TYR HA . . 7.960 2.798 2.692 3.170 . 0 0 "[ . 1 . 2]" 1
570 1 18 ARG HA 1 18 ARG HG2 . . 3.760 2.564 2.071 3.612 . 0 0 "[ . 1 . 2]" 1
571 1 67 LYS HA 1 67 LYS HG3 . . 4.170 2.542 2.085 3.202 . 0 0 "[ . 1 . 2]" 1
572 1 82 LEU HA 1 82 LEU HG . . 4.040 3.395 3.294 3.447 . 0 0 "[ . 1 . 2]" 1
573 1 89 ILE HA 1 90 PRO HD3 . . 2.930 2.263 2.262 2.265 . 0 0 "[ . 1 . 2]" 1
574 1 29 GLU HA 1 29 GLU HG3 . . 3.550 2.031 2.017 2.090 . 0 0 "[ . 1 . 2]" 1
575 1 15 TRP HH2 1 28 LEU HB3 . . 3.700 2.449 2.022 2.741 . 0 0 "[ . 1 . 2]" 1
576 1 15 TRP HH2 1 28 LEU HB2 . . 3.700 2.660 2.402 2.944 . 0 0 "[ . 1 . 2]" 1
577 1 13 SER HB3 1 15 TRP HH2 . . 4.110 2.962 2.510 3.627 . 0 0 "[ . 1 . 2]" 1
578 1 13 SER HB2 1 15 TRP HH2 . . 4.110 2.986 2.302 3.677 . 0 0 "[ . 1 . 2]" 1
579 1 42 MET HA 1 42 MET HG3 . . 3.730 3.645 3.045 3.806 0.076 19 0 "[ . 1 . 2]" 1
580 1 89 ILE HA 1 90 PRO HD2 . . 2.930 2.086 2.079 2.091 . 0 0 "[ . 1 . 2]" 1
581 1 42 MET HA 1 42 MET HG2 . . 3.730 2.614 2.342 2.752 . 0 0 "[ . 1 . 2]" 1
582 1 57 PHE QR 1 66 ILE HG12 . . 7.960 3.646 3.531 4.036 . 0 0 "[ . 1 . 2]" 1
583 1 37 CYS HB2 1 40 GLN HB2 . . 7.260 5.576 4.469 7.158 . 0 0 "[ . 1 . 2]" 1
584 1 65 TYR QD 1 67 LYS HA . . 7.630 3.479 3.355 3.708 . 0 0 "[ . 1 . 2]" 1
585 1 54 GLU HA 1 54 GLU HG2 . . 3.300 2.698 2.087 2.747 . 0 0 "[ . 1 . 2]" 1
586 1 59 VAL HB 1 62 HIS HB2 . . 5.040 2.780 2.193 3.319 . 0 0 "[ . 1 . 2]" 1
587 1 54 GLU HB3 1 56 HIS HD2 . . 4.510 4.206 3.153 4.514 0.004 17 0 "[ . 1 . 2]" 1
588 1 35 VAL HB 1 42 MET HG3 . . 4.910 3.084 2.817 3.898 . 0 0 "[ . 1 . 2]" 1
589 1 54 GLU HB2 1 56 HIS HD2 . . 4.510 3.652 3.000 4.508 . 0 0 "[ . 1 . 2]" 1
590 1 54 GLU HB3 1 65 TYR QD . . 7.570 4.276 3.182 4.921 . 0 0 "[ . 1 . 2]" 1
591 1 54 GLU HB2 1 65 TYR QD . . 7.570 5.785 4.785 6.306 . 0 0 "[ . 1 . 2]" 1
592 1 57 PHE QR 1 59 VAL HB . . 7.960 4.633 3.865 5.364 . 0 0 "[ . 1 . 2]" 1
593 1 67 LYS HA 1 67 LYS HG2 . . 4.170 3.008 2.043 3.646 . 0 0 "[ . 1 . 2]" 1
594 1 43 GLU HA 1 43 GLU HG2 . . 3.790 2.454 2.034 3.743 . 0 0 "[ . 1 . 2]" 1
595 1 37 CYS HB3 1 40 GLN HB2 . . 7.260 4.985 4.029 6.338 . 0 0 "[ . 1 . 2]" 1
596 1 29 GLU HA 1 29 GLU HG2 . . 3.550 3.219 3.058 3.348 . 0 0 "[ . 1 . 2]" 1
597 1 54 GLU HA 1 54 GLU HG3 . . 3.300 3.267 3.018 3.299 . 0 0 "[ . 1 . 2]" 1
598 1 34 ASP HB3 1 41 LYS HG2 . . 7.260 4.668 2.464 6.337 . 0 0 "[ . 1 . 2]" 1
599 1 59 VAL HB 1 62 HIS HB3 . . 5.040 4.333 3.677 4.965 . 0 0 "[ . 1 . 2]" 1
600 1 89 ILE MG 1 90 PRO HD2 . . 4.970 1.921 1.907 1.940 . 0 0 "[ . 1 . 2]" 1
601 1 66 ILE MD 1 82 LEU MD2 . . 6.580 3.871 3.772 3.977 . 0 0 "[ . 1 . 2]" 1
602 1 13 SER HB3 1 28 LEU MD2 . . 5.370 4.017 3.441 4.231 . 0 0 "[ . 1 . 2]" 1
603 1 28 LEU MD2 1 33 MET HA . . 5.530 3.720 3.626 3.806 . 0 0 "[ . 1 . 2]" 1
604 1 24 LEU HA 1 24 LEU MD1 . . 3.670 2.881 2.652 3.006 . 0 0 "[ . 1 . 2]" 1
605 1 62 HIS HB2 1 84 VAL MG1 . . 5.310 4.094 3.324 4.442 . 0 0 "[ . 1 . 2]" 1
606 1 28 LEU HA 1 35 VAL MG2 . . 5.250 3.495 3.386 3.674 . 0 0 "[ . 1 . 2]" 1
607 1 89 ILE MD 1 90 PRO HD3 . . 5.400 4.310 4.296 4.323 . 0 0 "[ . 1 . 2]" 1
608 1 82 LEU MD2 1 89 ILE MD . . 7.540 2.474 2.296 2.653 . 0 0 "[ . 1 . 2]" 1
609 1 32 THR HA 1 32 THR MG . . 3.420 2.117 1.965 2.288 . 0 0 "[ . 1 . 2]" 1
610 1 42 MET ME 1 59 VAL HA . . 5.650 3.670 2.465 4.211 . 0 0 "[ . 1 . 2]" 1
611 1 70 SER HA 1 78 ILE MG . . 5.740 2.633 2.295 2.952 . 0 0 "[ . 1 . 2]" 1
612 1 62 HIS HB3 1 84 VAL MG1 . . 5.310 3.420 2.821 3.905 . 0 0 "[ . 1 . 2]" 1
613 1 12 THR HB 1 27 VAL MG1 . . 4.380 3.252 3.027 3.403 . 0 0 "[ . 1 . 2]" 1
614 1 45 ALA MB 1 56 HIS HB3 . . 5.590 3.415 3.295 4.418 . 0 0 "[ . 1 . 2]" 1
615 1 45 ALA MB 1 56 HIS HD2 . . 6.520 2.402 1.891 4.619 . 0 0 "[ . 1 . 2]" 1
616 1 14 THR MG 1 92 LEU HB3 . . 6.520 4.071 2.852 5.370 . 0 0 "[ . 1 . 2]" 1
617 1 15 TRP QB 1 17 LEU MD2 . . 6.410 2.932 2.824 3.051 . 0 0 "[ . 1 . 2]" 1
618 1 17 LEU MD2 1 89 ILE MG . . 6.390 2.635 2.318 2.830 . 0 0 "[ . 1 . 2]" 1
619 1 44 THR MG 1 57 PHE HB3 . . 4.470 2.055 1.958 2.326 . 0 0 "[ . 1 . 2]" 1
620 1 44 THR MG 1 57 PHE HB2 . . 4.470 3.368 3.279 3.445 . 0 0 "[ . 1 . 2]" 1
621 1 68 ALA MB 1 80 HIS HA . . 5.430 3.177 3.018 3.388 . 0 0 "[ . 1 . 2]" 1
622 1 17 LEU HB3 1 89 ILE MG . . 5.370 2.797 2.542 2.870 . 0 0 "[ . 1 . 2]" 1
623 1 17 LEU HB2 1 89 ILE MG . . 5.370 4.037 3.772 4.172 . 0 0 "[ . 1 . 2]" 1
624 1 14 THR MG 1 92 LEU HB2 . . 6.520 3.823 2.496 5.388 . 0 0 "[ . 1 . 2]" 1
625 1 92 LEU HA 1 92 LEU MD2 . . 4.690 3.000 1.993 3.930 . 0 0 "[ . 1 . 2]" 1
626 1 44 THR MG 1 57 PHE HA . . 5.430 3.950 3.773 4.322 . 0 0 "[ . 1 . 2]" 1
627 1 66 ILE MD 1 82 LEU HA . . 5.280 4.061 3.851 4.281 . 0 0 "[ . 1 . 2]" 1
628 1 31 ASP QB 1 32 THR MG . . 6.190 3.835 2.631 4.555 . 0 0 "[ . 1 . 2]" 1
629 1 66 ILE MD 1 82 LEU MD1 . . 5.460 3.283 2.643 3.501 . 0 0 "[ . 1 . 2]" 1
630 1 45 ALA MB 1 56 HIS HB2 . . 5.590 1.979 1.879 3.234 . 0 0 "[ . 1 . 2]" 1
631 1 13 SER HB2 1 28 LEU MD2 . . 5.370 3.357 2.944 3.842 . 0 0 "[ . 1 . 2]" 1
632 1 35 VAL MG1 1 42 MET HA . . 6.520 5.098 5.017 5.238 . 0 0 "[ . 1 . 2]" 1
633 1 89 ILE MG 1 90 PRO HD3 . . 4.970 3.347 3.327 3.373 . 0 0 "[ . 1 . 2]" 1
634 1 89 ILE MD 1 90 PRO HD2 . . 5.400 3.141 3.103 3.177 . 0 0 "[ . 1 . 2]" 1
635 1 87 ARG QB 1 89 ILE MD . . 6.130 4.208 4.043 4.321 . 0 0 "[ . 1 . 2]" 1
636 1 44 THR HA 1 55 THR MG . . 5.370 3.964 3.679 4.053 . 0 0 "[ . 1 . 2]" 1
637 1 19 LEU MD1 1 59 VAL HB . . 5.000 3.412 2.642 3.852 . 0 0 "[ . 1 . 2]" 1
638 1 57 PHE QR 1 84 VAL MG2 . . 8.980 3.762 3.346 4.065 . 0 0 "[ . 1 . 2]" 1
639 1 57 PHE HZ 1 84 VAL MG2 . . 6.520 4.474 3.941 5.003 . 0 0 "[ . 1 . 2]" 1
640 1 24 LEU MD2 1 82 LEU MD2 . . 6.390 4.106 3.784 4.339 . 0 0 "[ . 1 . 2]" 1
641 1 42 MET HA 1 42 MET ME . . 4.530 3.708 3.513 3.822 . 0 0 "[ . 1 . 2]" 1
642 1 55 THR MG 1 57 PHE QR . . 8.980 3.027 2.309 3.312 . 0 0 "[ . 1 . 2]" 1
643 1 66 ILE MG 1 82 LEU HA . . 5.280 3.554 3.268 3.780 . 0 0 "[ . 1 . 2]" 1
644 1 91 GLU HB3 1 93 THR MG . . 5.650 3.060 1.947 4.130 . 0 0 "[ . 1 . 2]" 1
645 1 91 GLU HB2 1 93 THR MG . . 5.650 4.282 2.966 4.648 . 0 0 "[ . 1 . 2]" 1
646 1 83 ILE MG 1 86 ASN HA . . 4.010 2.515 2.432 2.589 . 0 0 "[ . 1 . 2]" 1
647 1 17 LEU MD1 1 89 ILE MG . . 6.450 4.011 3.777 4.259 . 0 0 "[ . 1 . 2]" 1
648 1 82 LEU MD1 1 83 ILE H . . 6.080 1.996 1.894 2.060 . 0 0 "[ . 1 . 2]" 1
649 1 33 MET HA 1 33 MET ME . . 5.150 3.907 3.426 4.170 . 0 0 "[ . 1 . 2]" 1
650 1 33 MET ME 1 66 ILE MG . . 6.450 3.773 2.688 4.283 . 0 0 "[ . 1 . 2]" 1
651 1 33 MET ME 1 68 ALA MB . . 7.130 2.463 2.016 2.911 . 0 0 "[ . 1 . 2]" 1
652 1 24 LEU MD1 1 37 CYS HA . . 5.960 4.777 4.564 4.915 . 0 0 "[ . 1 . 2]" 1
653 1 33 MET ME 1 55 THR MG . . 6.950 3.094 1.910 4.630 . 0 0 "[ . 1 . 2]" 1
654 1 12 THR HA 1 30 LYS QG . . 5.140 3.612 3.037 4.634 . 0 0 "[ . 1 . 2]" 1
655 1 12 THR MG 1 29 GLU QB . . 6.560 3.602 3.494 3.802 . 0 0 "[ . 1 . 2]" 1
656 1 12 THR MG 1 29 GLU QG . . 5.290 2.022 1.896 2.271 . 0 0 "[ . 1 . 2]" 1
657 1 13 SER HA 1 91 GLU QG . . 5.230 3.492 2.904 4.336 . 0 0 "[ . 1 . 2]" 1
658 1 13 SER QB 1 15 TRP HZ2 . . 6.380 2.782 2.274 3.195 . 0 0 "[ . 1 . 2]" 1
659 1 13 SER QB 1 15 TRP HH2 . . 3.880 2.585 2.257 2.842 . 0 0 "[ . 1 . 2]" 1
660 1 13 SER QB 1 28 LEU QB . . 5.870 2.145 1.959 2.401 . 0 0 "[ . 1 . 2]" 1
661 1 14 THR MG 1 92 LEU QB . . 6.120 3.423 2.444 4.326 . 0 0 "[ . 1 . 2]" 1
662 1 15 TRP HD1 1 90 PRO QD . . 6.390 4.494 4.262 4.731 . 0 0 "[ . 1 . 2]" 1
663 1 15 TRP HE3 1 26 VAL QG . . 5.000 2.646 1.963 3.031 . 0 0 "[ . 1 . 2]" 1
664 1 17 LEU HA 1 17 LEU QB . . 2.650 2.163 2.162 2.164 . 0 0 "[ . 1 . 2]" 1
665 1 17 LEU QB 1 89 ILE MG . . 5.220 2.749 2.504 2.822 . 0 0 "[ . 1 . 2]" 1
666 1 18 ARG HA 1 18 ARG QG . . 3.380 2.313 2.045 2.543 . 0 0 "[ . 1 . 2]" 1
667 1 18 ARG HA 1 19 LEU QB . . 5.850 4.239 4.224 4.255 . 0 0 "[ . 1 . 2]" 1
668 1 18 ARG HA 1 24 LEU QB . . 6.380 3.984 3.895 4.121 . 0 0 "[ . 1 . 2]" 1
669 1 18 ARG QD 1 23 ASP HA . . 6.380 4.795 2.762 5.608 . 0 0 "[ . 1 . 2]" 1
670 1 19 LEU MD1 1 24 LEU QB . . 7.400 3.233 3.071 3.405 . 0 0 "[ . 1 . 2]" 1
671 1 22 GLU HA 1 22 GLU QG . . 3.800 2.394 2.053 3.343 . 0 0 "[ . 1 . 2]" 1
672 1 24 LEU QB 1 25 ARG HA . . 5.760 4.467 4.405 4.559 . 0 0 "[ . 1 . 2]" 1
673 1 24 LEU QB 1 37 CYS QB . . 7.260 5.208 4.219 5.759 . 0 0 "[ . 1 . 2]" 1
674 1 24 LEU MD1 1 37 CYS QB . . 5.660 3.587 2.792 4.127 . 0 0 "[ . 1 . 2]" 1
675 1 25 ARG HA 1 25 ARG QG . . 3.850 2.238 2.070 2.452 . 0 0 "[ . 1 . 2]" 1
676 1 25 ARG QB 1 25 ARG QD . . 3.320 2.167 1.963 2.390 . 0 0 "[ . 1 . 2]" 1
677 1 26 VAL QG 1 35 VAL MG1 . . 7.570 1.996 1.835 2.242 . 0 0 "[ . 1 . 2]" 1
678 1 27 VAL MG1 1 36 TRP QB . . 6.130 3.361 3.150 3.737 . 0 0 "[ . 1 . 2]" 1
679 1 28 LEU QB 1 35 VAL MG2 . . 6.590 3.182 3.011 3.457 . 0 0 "[ . 1 . 2]" 1
680 1 29 GLU HA 1 29 GLU QG . . 3.250 2.010 1.998 2.056 . 0 0 "[ . 1 . 2]" 1
681 1 30 LYS QD 1 80 HIS HE1 . . 5.980 3.263 1.908 5.406 . 0 0 "[ . 1 . 2]" 1
682 1 33 MET QG 1 55 THR MG . . 6.930 4.221 2.956 4.933 . 0 0 "[ . 1 . 2]" 1
683 1 34 ASP QB 1 41 LYS QG . . 6.320 3.652 2.346 4.518 . 0 0 "[ . 1 . 2]" 1
684 1 34 ASP HB2 1 41 LYS HG2 . . 7.260 5.314 3.586 6.836 . 0 0 "[ . 1 . 2]" 1
685 1 34 ASP HB2 1 41 LYS HG3 . . 7.260 5.308 3.732 7.205 . 0 0 "[ . 1 . 2]" 1
686 1 35 VAL HB 1 42 MET QG . . 4.480 3.006 2.766 3.715 . 0 0 "[ . 1 . 2]" 1
687 1 36 TRP QB 1 39 GLY QA . . 6.610 4.893 4.426 5.120 . 0 0 "[ . 1 . 2]" 1
688 1 37 CYS QB 1 40 GLN QB . . 6.320 3.834 2.976 4.874 . 0 0 "[ . 1 . 2]" 1
689 1 37 CYS HB2 1 40 GLN HB3 . . 7.260 5.075 3.458 7.196 . 0 0 "[ . 1 . 2]" 1
690 1 37 CYS HB3 1 40 GLN HB3 . . 7.260 4.640 3.106 6.156 . 0 0 "[ . 1 . 2]" 1
691 1 37 CYS QB 1 59 VAL QG . . 8.640 3.567 2.917 3.880 . 0 0 "[ . 1 . 2]" 1
692 1 40 GLN HA 1 40 GLN QG . . 3.690 2.141 2.002 2.450 . 0 0 "[ . 1 . 2]" 1
693 1 42 MET HA 1 42 MET QB . . 2.640 2.401 2.350 2.457 . 0 0 "[ . 1 . 2]" 1
694 1 42 MET HA 1 42 MET QG . . 3.490 2.558 2.270 2.691 . 0 0 "[ . 1 . 2]" 1
695 1 42 MET QB 1 57 PHE QR . . 8.840 3.751 3.596 3.902 . 0 0 "[ . 1 . 2]" 1
696 1 42 MET QG 1 57 PHE QB . . 5.430 4.274 4.165 4.326 . 0 0 "[ . 1 . 2]" 1
697 1 42 MET ME 1 57 PHE QB . . 5.820 2.067 1.867 2.339 . 0 0 "[ . 1 . 2]" 1
698 1 42 MET ME 1 59 VAL QG . . 8.000 1.853 1.691 2.119 . 0 0 "[ . 1 . 2]" 1
699 1 43 GLU HA 1 43 GLU QG . . 3.430 2.182 2.010 2.570 . 0 0 "[ . 1 . 2]" 1
700 1 44 THR MG 1 57 PHE QB . . 4.280 2.037 1.944 2.290 . 0 0 "[ . 1 . 2]" 1
701 1 52 GLY QA 1 53 THR MG . . 7.400 4.503 4.431 4.541 . 0 0 "[ . 1 . 2]" 1
702 1 52 GLY QA 1 69 VAL HA . . 2.990 2.565 1.966 2.778 . 0 0 "[ . 1 . 2]" 1
703 1 54 GLU HA 1 54 GLU QB . . 2.580 2.295 2.280 2.537 . 0 0 "[ . 1 . 2]" 1
704 1 54 GLU HA 1 54 GLU QG . . 3.120 2.575 2.051 2.613 . 0 0 "[ . 1 . 2]" 1
705 1 54 GLU QB 1 56 HIS HD2 . . 4.270 3.371 2.877 3.641 . 0 0 "[ . 1 . 2]" 1
706 1 55 THR HA 1 56 HIS QB . . 5.640 4.514 4.439 4.566 . 0 0 "[ . 1 . 2]" 1
707 1 57 PHE HA 1 58 SER QB . . 6.160 4.280 3.942 4.563 . 0 0 "[ . 1 . 2]" 1
708 1 59 VAL HB 1 62 HIS QB . . 4.700 2.749 2.177 3.272 . 0 0 "[ . 1 . 2]" 1
709 1 60 GLY QA 1 62 HIS HD2 . . 5.820 4.527 2.917 4.857 . 0 0 "[ . 1 . 2]" 1
710 1 61 ASN QB 1 62 HIS HD2 . . 6.380 5.338 5.049 5.750 . 0 0 "[ . 1 . 2]" 1
711 1 62 HIS QB 1 84 VAL MG1 . . 4.950 3.250 2.676 3.475 . 0 0 "[ . 1 . 2]" 1
712 1 64 CYS QB 1 82 LEU MD1 . . 5.230 2.629 2.517 2.702 . 0 0 "[ . 1 . 2]" 1
713 1 64 CYS QB 1 84 VAL HA . . 6.380 2.712 2.180 3.341 . 0 0 "[ . 1 . 2]" 1
714 1 64 CYS QB 1 84 VAL MG2 . . 5.660 1.999 1.842 2.164 . 0 0 "[ . 1 . 2]" 1
715 1 65 TYR QD 1 67 LYS QB . . 7.390 3.681 3.181 4.108 . 0 0 "[ . 1 . 2]" 1
716 1 66 ILE HA 1 66 ILE QG . . 3.890 2.256 2.173 2.299 . 0 0 "[ . 1 . 2]" 1
717 1 67 LYS HA 1 67 LYS QB . . 2.680 2.426 2.296 2.533 . 0 0 "[ . 1 . 2]" 1
718 1 67 LYS HA 1 67 LYS QG . . 3.600 2.301 2.021 2.575 . 0 0 "[ . 1 . 2]" 1
719 1 68 ALA HA 1 69 VAL QG . . 6.860 3.352 3.284 3.470 . 0 0 "[ . 1 . 2]" 1
720 1 70 SER HA 1 78 ILE QG . . 5.140 2.184 1.990 2.411 . 0 0 "[ . 1 . 2]" 1
721 1 71 SER HA 1 71 SER QB . . 2.580 2.202 2.157 2.295 . 0 0 "[ . 1 . 2]" 1
722 1 75 LYS HA 1 78 ILE QG . . 5.570 3.757 3.254 4.404 . 0 0 "[ . 1 . 2]" 1
723 1 78 ILE HA 1 78 ILE QG . . 3.550 2.432 2.401 2.482 . 0 0 "[ . 1 . 2]" 1
724 1 82 LEU MD2 1 89 ILE QG . . 6.000 3.237 3.142 3.414 . 0 0 "[ . 1 . 2]" 1
725 1 83 ILE MD 1 88 GLU QG . . 5.850 3.200 2.436 3.649 . 0 0 "[ . 1 . 2]" 1
726 1 84 VAL MG1 1 85 ASP QB . . 6.320 2.568 2.370 2.771 . 0 0 "[ . 1 . 2]" 1
727 1 85 ASP HA 1 85 ASP QB . . 2.650 2.508 2.461 2.517 . 0 0 "[ . 1 . 2]" 1
728 1 87 ARG HA 1 87 ARG QG . . 3.980 2.287 2.010 2.607 . 0 0 "[ . 1 . 2]" 1
729 1 88 GLU HA 1 88 GLU QG . . 3.160 2.227 2.086 2.401 . 0 0 "[ . 1 . 2]" 1
730 1 89 ILE MG 1 90 PRO QD . . 4.690 1.910 1.896 1.929 . 0 0 "[ . 1 . 2]" 1
731 1 91 GLU QB 1 91 GLU QG . . 2.350 2.038 2.025 2.067 . 0 0 "[ . 1 . 2]" 1
732 1 91 GLU QB 1 93 THR MG . . 5.190 2.943 1.937 3.634 . 0 0 "[ . 1 . 2]" 1
733 1 91 GLU QG 1 93 THR MG . . 6.970 3.696 1.940 4.636 . 0 0 "[ . 1 . 2]" 1
734 1 68 ALA HA 1 80 HIS HA . . 2.620 2.044 1.990 2.167 . 0 0 "[ . 1 . 2]" 1
735 1 12 THR HA 1 12 THR HB . . 2.620 2.644 2.638 2.647 0.027 20 0 "[ . 1 . 2]" 1
736 1 44 THR HA 1 57 PHE HA . . 3.450 2.599 2.344 3.038 . 0 0 "[ . 1 . 2]" 1
737 1 44 THR HA 1 44 THR HB . . 2.560 2.380 2.365 2.446 . 0 0 "[ . 1 . 2]" 1
738 1 16 VAL HA 1 16 VAL HB . . 2.870 3.018 3.016 3.018 0.148 20 0 "[ . 1 . 2]" 1
739 1 36 TRP HA 1 36 TRP HB2 . . 2.710 2.638 2.546 2.717 0.007 7 0 "[ . 1 . 2]" 1
740 1 36 TRP HA 1 36 TRP HB3 . . 2.710 2.990 2.954 3.017 0.307 12 0 "[ . 1 . 2]" 1
741 1 81 THR HA 1 81 THR HB . . 2.710 2.813 2.775 2.883 0.173 18 0 "[ . 1 . 2]" 1
742 1 53 THR HA 1 53 THR HB . . 2.680 2.895 2.892 2.902 0.222 7 0 "[ . 1 . 2]" 1
743 1 57 PHE HA 1 57 PHE HB2 . . 2.590 2.558 2.482 2.602 0.012 15 0 "[ . 1 . 2]" 1
744 1 24 LEU HA 1 24 LEU HB3 . . 2.830 2.991 2.968 3.013 0.183 12 0 "[ . 1 . 2]" 1
745 1 17 LEU HA 1 17 LEU HB2 . . 2.830 2.374 2.367 2.378 . 0 0 "[ . 1 . 2]" 1
746 1 17 LEU HA 1 17 LEU HB3 . . 2.830 2.492 2.486 2.500 . 0 0 "[ . 1 . 2]" 1
747 1 49 VAL HA 1 49 VAL HB . . 2.560 2.488 2.449 2.533 . 0 0 "[ . 1 . 2]" 1
748 1 13 SER HA 1 13 SER HB2 . . 2.960 2.936 2.654 3.025 0.065 19 0 "[ . 1 . 2]" 1
749 1 70 SER HA 1 78 ILE HA . . 2.740 2.279 2.195 2.344 . 0 0 "[ . 1 . 2]" 1
750 1 15 TRP HA 1 91 GLU HA . . 2.960 2.937 2.359 2.981 0.021 4 0 "[ . 1 . 2]" 1
751 1 80 HIS HA 1 80 HIS HB2 . . 2.740 3.010 3.004 3.014 0.274 2 0 "[ . 1 . 2]" 1
752 1 37 CYS HA 1 37 CYS HB2 . . 2.870 2.672 2.345 3.015 0.145 5 0 "[ . 1 . 2]" 1
753 1 57 PHE HA 1 57 PHE HB3 . . 2.590 2.362 2.328 2.427 . 0 0 "[ . 1 . 2]" 1
754 1 80 HIS HA 1 80 HIS HB3 . . 2.740 2.357 2.340 2.371 . 0 0 "[ . 1 . 2]" 1
755 1 37 CYS HA 1 37 CYS HB3 . . 2.870 2.802 2.516 3.021 0.151 3 0 "[ . 1 . 2]" 1
756 1 13 SER HA 1 13 SER HB3 . . 2.960 2.687 2.338 2.987 0.027 11 0 "[ . 1 . 2]" 1
757 1 84 VAL HA 1 84 VAL HB . . 2.870 3.020 3.016 3.023 0.153 3 0 "[ . 1 . 2]" 1
758 1 24 LEU HA 1 24 LEU HB2 . . 2.830 2.594 2.489 2.662 . 0 0 "[ . 1 . 2]" 1
759 1 19 LEU HA 1 19 LEU HB2 . . 2.830 2.674 2.662 2.694 . 0 0 "[ . 1 . 2]" 1
760 1 19 LEU HA 1 19 LEU HB3 . . 2.830 2.961 2.951 2.967 0.137 3 0 "[ . 1 . 2]" 1
761 1 56 HIS HE1 1 65 TYR QD . . 6.510 4.738 3.705 5.884 . 0 0 "[ . 1 . 2]" 1
762 1 15 TRP HE3 1 26 VAL HB . . 2.870 1.974 1.943 2.000 . 0 0 "[ . 1 . 2]" 1
763 1 62 HIS HB2 1 62 HIS HD2 . . 3.580 2.704 2.693 2.731 . 0 0 "[ . 1 . 2]" 1
764 1 62 HIS HB3 1 62 HIS HD2 . . 3.580 3.576 3.491 3.625 0.045 14 0 "[ . 1 . 2]" 1
765 1 15 TRP HZ2 1 81 THR HA . . 3.210 3.207 2.941 3.239 0.029 20 0 "[ . 1 . 2]" 1
766 1 57 PHE QR 1 64 CYS HB2 . . 7.680 2.031 1.939 2.482 . 0 0 "[ . 1 . 2]" 1
767 1 57 PHE QR 1 64 CYS HB3 . . 7.680 3.138 2.430 3.712 . 0 0 "[ . 1 . 2]" 1
768 1 68 ALA HA 1 80 HIS HD2 . . 3.480 3.360 3.108 3.490 0.010 10 0 "[ . 1 . 2]" 1
769 1 65 TYR QE 1 67 LYS HB2 . . 5.930 2.915 2.322 3.270 . 0 0 "[ . 1 . 2]" 1
770 1 65 TYR QE 1 67 LYS HB3 . . 5.930 4.294 3.792 4.534 . 0 0 "[ . 1 . 2]" 1
771 1 44 THR HA 1 57 PHE HB2 . . 3.640 3.688 3.661 3.716 0.076 11 0 "[ . 1 . 2]" 1
772 1 44 THR HA 1 57 PHE HB3 . . 3.640 2.173 2.006 2.287 . 0 0 "[ . 1 . 2]" 1
773 1 53 THR HA 1 53 THR HG1 . . 2.830 2.922 2.919 2.928 0.098 7 0 "[ . 1 . 2]" 1
774 1 15 TRP HA 1 15 TRP HD1 . . 3.830 3.003 2.882 3.202 . 0 0 "[ . 1 . 2]" 1
775 1 19 LEU HA 1 19 LEU HG . . 3.020 2.205 2.190 2.215 . 0 0 "[ . 1 . 2]" 1
776 1 55 THR HB 1 66 ILE HB . . 2.560 2.577 2.566 2.595 0.035 7 0 "[ . 1 . 2]" 1
777 1 15 TRP HD1 1 91 GLU HA . . 2.960 2.234 2.123 2.421 . 0 0 "[ . 1 . 2]" 1
778 1 15 TRP QB 1 26 VAL HB . . 3.870 2.400 2.034 2.736 . 0 0 "[ . 1 . 2]" 1
779 1 28 LEU HA 1 28 LEU HG . . 3.330 3.516 3.477 3.530 0.200 16 0 "[ . 1 . 2]" 1
780 1 80 HIS HA 1 80 HIS HD2 . . 3.730 3.397 3.111 3.650 . 0 0 "[ . 1 . 2]" 1
781 1 78 ILE MG 1 80 HIS HE1 . . 4.660 3.560 3.047 3.707 . 0 0 "[ . 1 . 2]" 1
782 1 15 TRP HE3 1 26 VAL MG2 . . 4.130 3.476 3.423 3.531 . 0 0 "[ . 1 . 2]" 1
783 1 15 TRP HE3 1 82 LEU MD2 . . 4.780 2.618 2.407 2.939 . 0 0 "[ . 1 . 2]" 1
784 1 19 LEU MD2 1 62 HIS HD2 . . 5.120 1.990 1.887 2.322 . 0 0 "[ . 1 . 2]" 1
785 1 59 VAL MG2 1 62 HIS HD2 . . 6.240 5.039 4.061 5.213 . 0 0 "[ . 1 . 2]" 1
786 1 48 PHE QD 1 53 THR MG . . 7.160 3.349 2.123 4.820 . 0 0 "[ . 1 . 2]" 1
787 1 57 PHE QR 1 59 VAL MG1 . . 8.980 4.658 3.905 5.388 . 0 0 "[ . 1 . 2]" 1
788 1 57 PHE QR 1 66 ILE MD . . 8.050 2.380 1.941 2.751 . 0 0 "[ . 1 . 2]" 1
789 1 35 VAL MG2 1 57 PHE QR . . 8.830 2.218 1.888 2.525 . 0 0 "[ . 1 . 2]" 1
790 1 57 PHE QR 1 59 VAL MG2 . . 8.980 2.488 1.782 3.106 . 0 0 "[ . 1 . 2]" 1
791 1 15 TRP HZ3 1 28 LEU MD2 . . 4.260 3.248 3.051 3.411 . 0 0 "[ . 1 . 2]" 1
792 1 15 TRP HH2 1 66 ILE MG . . 4.660 2.821 2.592 3.342 . 0 0 "[ . 1 . 2]" 1
793 1 15 TRP HH2 1 28 LEU MD2 . . 4.130 1.951 1.907 1.987 . 0 0 "[ . 1 . 2]" 1
794 1 66 ILE MG 1 80 HIS HD2 . . 3.950 3.143 2.949 3.299 . 0 0 "[ . 1 . 2]" 1
795 1 57 PHE HZ 1 82 LEU MD1 . . 3.980 2.121 1.920 2.657 . 0 0 "[ . 1 . 2]" 1
796 1 65 TYR QE 1 83 ILE MD . . 7.880 2.717 2.175 3.247 . 0 0 "[ . 1 . 2]" 1
797 1 66 ILE MG 1 80 HIS HA . . 4.750 3.249 3.082 3.387 . 0 0 "[ . 1 . 2]" 1
798 1 28 LEU HA 1 28 LEU MD2 . . 4.130 3.723 3.699 3.759 . 0 0 "[ . 1 . 2]" 1
799 1 16 VAL HA 1 17 LEU MD2 . . 4.570 3.519 3.455 3.602 . 0 0 "[ . 1 . 2]" 1
800 1 64 CYS HA 1 84 VAL MG2 . . 4.440 3.315 3.034 3.516 . 0 0 "[ . 1 . 2]" 1
801 1 68 ALA HA 1 78 ILE MG . . 4.660 3.894 3.834 3.919 . 0 0 "[ . 1 . 2]" 1
802 1 66 ILE HA 1 82 LEU MD1 . . 4.750 2.990 2.903 3.150 . 0 0 "[ . 1 . 2]" 1
803 1 49 VAL MG2 1 53 THR HA . . 4.500 3.121 2.534 3.600 . 0 0 "[ . 1 . 2]" 1
804 1 24 LEU HA 1 24 LEU MD2 . . 4.350 3.721 3.690 3.799 . 0 0 "[ . 1 . 2]" 1
805 1 12 THR MG 1 29 GLU HA . . 3.790 2.000 1.922 2.222 . 0 0 "[ . 1 . 2]" 1
806 1 89 ILE HA 1 89 ILE MD . . 3.670 2.965 2.961 2.969 . 0 0 "[ . 1 . 2]" 1
807 1 70 SER HA 1 78 ILE MD . . 4.910 3.732 3.449 3.975 . 0 0 "[ . 1 . 2]" 1
808 1 19 LEU HA 1 19 LEU MD1 . . 4.040 3.452 3.438 3.460 . 0 0 "[ . 1 . 2]" 1
809 1 78 ILE HA 1 78 ILE MD . . 4.660 3.838 3.815 3.872 . 0 0 "[ . 1 . 2]" 1
810 1 28 LEU MD1 1 33 MET HA . . 3.640 1.934 1.877 1.996 . 0 0 "[ . 1 . 2]" 1
811 1 35 VAL MG2 1 44 THR HB . . 6.520 4.034 3.730 4.334 . 0 0 "[ . 1 . 2]" 1
812 1 12 THR HB 1 27 VAL MG2 . . 6.300 5.127 5.083 5.198 . 0 0 "[ . 1 . 2]" 1
813 1 81 THR HB 1 83 ILE MD . . 4.510 3.365 3.325 3.463 . 0 0 "[ . 1 . 2]" 1
814 1 37 CYS HB2 1 42 MET ME . . 6.120 3.903 3.380 5.003 . 0 0 "[ . 1 . 2]" 1
815 1 15 TRP QB 1 82 LEU MD2 . . 4.890 1.828 1.743 2.057 . 0 0 "[ . 1 . 2]" 1
816 1 37 CYS HB3 1 42 MET ME . . 6.120 4.245 3.557 4.896 . 0 0 "[ . 1 . 2]" 1
817 1 42 MET ME 1 57 PHE QR . . 8.800 2.079 1.953 2.334 . 0 0 "[ . 1 . 2]" 1
818 1 49 VAL MG2 1 54 GLU HG3 . . 5.090 2.881 2.308 3.301 . 0 0 "[ . 1 . 2]" 1
819 1 82 LEU MD2 1 89 ILE HB . . 4.010 3.167 3.130 3.209 . 0 0 "[ . 1 . 2]" 1
820 1 28 LEU MD1 1 33 MET ME . . 6.550 3.486 2.483 4.109 . 0 0 "[ . 1 . 2]" 1
821 1 28 LEU MD2 1 33 MET ME . . 7.540 3.080 2.212 3.813 . 0 0 "[ . 1 . 2]" 1
822 1 84 VAL HB 1 89 ILE MD . . 3.790 2.694 2.405 2.814 . 0 0 "[ . 1 . 2]" 1
823 1 66 ILE HG12 1 82 LEU MD1 . . 4.970 2.755 2.436 3.176 . 0 0 "[ . 1 . 2]" 1
824 1 68 ALA MB 1 80 HIS HD2 . . 4.040 1.938 1.888 2.067 . 0 0 "[ . 1 . 2]" 1
825 1 53 THR HB 1 68 ALA MB . . 4.600 2.641 2.207 3.370 . 0 0 "[ . 1 . 2]" 1
826 1 66 ILE MG 1 68 ALA MB . . 6.020 2.724 2.606 2.838 . 0 0 "[ . 1 . 2]" 1
827 1 68 ALA MB 1 78 ILE MD . . 6.730 4.387 4.284 4.444 . 0 0 "[ . 1 . 2]" 1
828 1 44 THR HB 1 55 THR MG . . 3.570 1.951 1.879 2.023 . 0 0 "[ . 1 . 2]" 1
829 1 15 TRP QB 1 89 ILE MG . . 5.420 1.876 1.861 1.989 . 0 0 "[ . 1 . 2]" 1
830 1 82 LEU MD2 1 89 ILE MG . . 6.360 2.034 1.940 2.161 . 0 0 "[ . 1 . 2]" 1
831 1 15 TRP HD1 1 89 ILE MG . . 3.980 2.336 2.074 2.679 . 0 0 "[ . 1 . 2]" 1
832 1 81 THR MG 1 88 GLU HA . . 6.520 4.625 4.230 4.842 . 0 0 "[ . 1 . 2]" 1
833 1 81 THR MG 1 83 ILE MD . . 6.450 4.297 4.247 4.339 . 0 0 "[ . 1 . 2]" 1
834 1 48 PHE HA 1 53 THR MG . . 4.320 2.373 1.939 2.727 . 0 0 "[ . 1 . 2]" 1
835 1 59 VAL MG1 1 62 HIS HD2 . . 6.240 3.117 1.972 3.711 . 0 0 "[ . 1 . 2]" 1
836 1 35 VAL HB 1 42 MET ME . . 4.320 3.307 3.239 3.464 . 0 0 "[ . 1 . 2]" 1
837 1 55 THR HB 1 66 ILE MG . . 4.910 3.819 3.590 3.972 . 0 0 "[ . 1 . 2]" 1
838 1 15 TRP HE3 1 26 VAL MG1 . . 4.130 2.815 1.973 3.370 . 0 0 "[ . 1 . 2]" 1
839 1 28 LEU MD2 1 66 ILE MG . . 5.710 1.900 1.850 1.992 . 0 0 "[ . 1 . 2]" 1
840 1 66 ILE MG 1 80 HIS HB2 . . 3.950 3.186 3.023 3.264 . 0 0 "[ . 1 . 2]" 1
841 1 66 ILE MG 1 80 HIS HB3 . . 3.950 2.004 1.948 2.069 . 0 0 "[ . 1 . 2]" 1
842 1 14 THR HA 1 27 VAL MG2 . . 4.600 3.047 2.818 3.349 . 0 0 "[ . 1 . 2]" 1
843 1 16 VAL MG1 1 25 ARG HA . . 4.780 3.539 3.362 3.705 . 0 0 "[ . 1 . 2]" 1
844 1 92 LEU HA 1 92 LEU MD1 . . 3.820 2.360 1.961 2.730 . 0 0 "[ . 1 . 2]" 1
845 1 16 VAL MG2 1 25 ARG HA . . 4.780 3.330 3.234 3.395 . 0 0 "[ . 1 . 2]" 1
846 1 66 ILE HG13 1 82 LEU MD1 . . 4.970 2.286 2.030 2.425 . 0 0 "[ . 1 . 2]" 1
847 1 14 THR HA 1 27 VAL MG1 . . 5.310 3.548 3.104 3.904 . 0 0 "[ . 1 . 2]" 1
848 1 49 VAL HA 1 49 VAL MG1 . . 3.670 2.271 2.178 2.380 . 0 0 "[ . 1 . 2]" 1
849 1 28 LEU HA 1 28 LEU MD1 . . 3.760 2.078 2.025 2.144 . 0 0 "[ . 1 . 2]" 1
850 1 28 LEU MD1 1 66 ILE MD . . 5.150 3.118 2.960 3.360 . 0 0 "[ . 1 . 2]" 1
851 1 17 LEU MD1 1 84 VAL MG1 . . 4.560 2.640 2.330 2.856 . 0 0 "[ . 1 . 2]" 1
852 1 17 LEU MD1 1 89 ILE MD . . 5.090 2.289 2.078 2.516 . 0 0 "[ . 1 . 2]" 1
853 1 17 LEU MD1 1 19 LEU MD2 . . 5.680 3.857 3.802 3.883 . 0 0 "[ . 1 . 2]" 1
854 1 17 LEU MD1 1 19 LEU MD1 . . 6.110 1.784 1.761 1.799 . 0 0 "[ . 1 . 2]" 1
855 1 49 VAL MG2 1 54 GLU HG2 . . 5.090 3.735 3.044 4.052 . 0 0 "[ . 1 . 2]" 1
856 1 19 LEU MD1 1 84 VAL MG1 . . 6.140 2.157 1.985 2.403 . 0 0 "[ . 1 . 2]" 1
857 1 15 TRP HZ3 1 66 ILE MD . . 4.470 2.101 1.900 2.954 . 0 0 "[ . 1 . 2]" 1
858 1 15 TRP HH2 1 66 ILE MD . . 4.510 2.521 2.229 3.462 . 0 0 "[ . 1 . 2]" 1
859 1 66 ILE HA 1 66 ILE MD . . 4.350 3.756 3.680 3.784 . 0 0 "[ . 1 . 2]" 1
860 1 57 PHE HZ 1 66 ILE MD . . 4.130 3.057 2.214 3.371 . 0 0 "[ . 1 . 2]" 1
861 1 17 LEU MD2 1 84 VAL MG2 . . 6.330 2.674 2.458 2.842 . 0 0 "[ . 1 . 2]" 1
862 1 17 LEU MD1 1 84 VAL MG2 . . 4.750 2.040 1.832 2.284 . 0 0 "[ . 1 . 2]" 1
863 1 82 LEU MD2 1 84 VAL MG2 . . 4.960 2.854 2.559 3.047 . 0 0 "[ . 1 . 2]" 1
864 1 28 LEU MD2 1 80 HIS HD2 . . 4.010 2.589 2.350 2.711 . 0 0 "[ . 1 . 2]" 1
865 1 35 VAL MG2 1 44 THR MG . . 5.370 1.959 1.768 2.268 . 0 0 "[ . 1 . 2]" 1
866 1 83 ILE HA 1 83 ILE MD . . 4.230 3.731 3.710 3.746 . 0 0 "[ . 1 . 2]" 1
867 1 83 ILE MD 1 88 GLU QB . . 5.850 3.886 3.468 4.133 . 0 0 "[ . 1 . 2]" 1
868 1 83 ILE MD 1 88 GLU HA . . 4.040 3.183 3.052 3.260 . 0 0 "[ . 1 . 2]" 1
869 1 68 ALA MB 1 78 ILE MG . . 5.770 2.821 2.681 2.915 . 0 0 "[ . 1 . 2]" 1
870 1 65 TYR QE 1 83 ILE MG . . 6.890 2.674 2.288 3.145 . 0 0 "[ . 1 . 2]" 1
871 1 83 ILE MG 1 88 GLU HA . . 4.720 2.916 2.793 3.004 . 0 0 "[ . 1 . 2]" 1
872 1 19 LEU HA 1 19 LEU MD2 . . 3.850 3.187 3.153 3.246 . 0 0 "[ . 1 . 2]" 1
873 1 19 LEU MD2 1 59 VAL HB . . 4.940 3.008 2.389 3.631 . 0 0 "[ . 1 . 2]" 1
874 1 19 LEU MD2 1 24 LEU MD1 . . 7.260 2.071 1.940 2.398 . 0 0 "[ . 1 . 2]" 1
875 1 19 LEU MD2 1 24 LEU MD2 . . 5.800 2.488 2.172 2.909 . 0 0 "[ . 1 . 2]" 1
876 1 19 LEU MD2 1 84 VAL MG1 . . 6.240 4.156 4.106 4.209 . 0 0 "[ . 1 . 2]" 1
877 1 19 LEU MD2 1 84 VAL MG2 . . 7.260 4.713 4.541 4.824 . 0 0 "[ . 1 . 2]" 1
878 1 19 LEU MD1 1 62 HIS HD2 . . 4.470 3.456 2.824 3.689 . 0 0 "[ . 1 . 2]" 1
879 1 19 LEU MD1 1 24 LEU MD1 . . 7.200 3.479 3.119 3.742 . 0 0 "[ . 1 . 2]" 1
880 1 19 LEU MD1 1 24 LEU MD2 . . 5.960 2.171 1.992 2.326 . 0 0 "[ . 1 . 2]" 1
881 1 57 PHE QR 1 82 LEU MD1 . . 8.460 2.830 2.559 3.040 . 0 0 "[ . 1 . 2]" 1
882 1 82 LEU HA 1 82 LEU MD1 . . 3.700 2.066 2.009 2.172 . 0 0 "[ . 1 . 2]" 1
883 1 64 CYS HB2 1 82 LEU MD1 . . 4.470 3.153 2.592 3.768 . 0 0 "[ . 1 . 2]" 1
884 1 82 LEU MD1 1 84 VAL MG2 . . 6.080 2.222 1.888 2.535 . 0 0 "[ . 1 . 2]" 1
885 1 57 PHE HZ 1 82 LEU MD2 . . 6.210 4.036 3.694 4.748 . 0 0 "[ . 1 . 2]" 1
886 1 17 LEU MD2 1 82 LEU MD2 . . 5.710 1.899 1.750 2.038 . 0 0 "[ . 1 . 2]" 1
887 1 15 TRP HD1 1 82 LEU MD2 . . 5.060 4.042 3.902 4.084 . 0 0 "[ . 1 . 2]" 1
888 1 17 LEU MD1 1 82 LEU MD2 . . 5.770 3.369 3.231 3.464 . 0 0 "[ . 1 . 2]" 1
889 1 26 VAL HB 1 82 LEU MD2 . . 4.320 2.429 2.325 2.518 . 0 0 "[ . 1 . 2]" 1
890 1 35 VAL MG1 1 57 PHE QR . . 8.390 3.075 2.673 3.317 . 0 0 "[ . 1 . 2]" 1
891 1 35 VAL MG1 1 57 PHE HZ . . 5.400 3.591 3.241 3.883 . 0 0 "[ . 1 . 2]" 1
892 1 35 VAL MG1 1 42 MET HB2 . . 4.410 2.919 2.762 3.027 . 0 0 "[ . 1 . 2]" 1
893 1 35 VAL MG1 1 42 MET HB3 . . 4.410 3.543 3.387 3.632 . 0 0 "[ . 1 . 2]" 1
894 1 35 VAL MG1 1 44 THR MG . . 5.520 3.789 3.540 3.914 . 0 0 "[ . 1 . 2]" 1
895 1 35 VAL MG1 1 66 ILE MD . . 6.610 2.392 2.164 2.620 . 0 0 "[ . 1 . 2]" 1
896 1 64 CYS HB3 1 82 LEU MD1 . . 4.470 3.208 2.566 3.651 . 0 0 "[ . 1 . 2]" 1
897 1 35 VAL MG1 1 42 MET ME . . 7.540 2.716 2.335 3.006 . 0 0 "[ . 1 . 2]" 1
898 1 17 LEU MD2 1 82 LEU MD1 . . 6.450 3.431 3.210 3.584 . 0 0 "[ . 1 . 2]" 1
899 1 19 LEU MD1 1 84 VAL MG2 . . 7.100 2.642 2.437 2.845 . 0 0 "[ . 1 . 2]" 1
900 1 13 SER HA 1 13 SER QB . . 2.680 2.471 2.261 2.505 . 0 0 "[ . 1 . 2]" 1
901 1 13 SER QB 1 28 LEU MD2 . . 5.170 3.162 2.888 3.357 . 0 0 "[ . 1 . 2]" 1
902 1 15 TRP HD1 1 91 GLU QB . . 4.050 3.333 3.059 3.678 . 0 0 "[ . 1 . 2]" 1
903 1 16 VAL QG 1 25 ARG HA . . 4.250 3.048 2.961 3.142 . 0 0 "[ . 1 . 2]" 1
904 1 17 LEU QB 1 89 ILE MD . . 6.320 2.054 1.862 2.236 . 0 0 "[ . 1 . 2]" 1
905 1 17 LEU HG 1 26 VAL QG . . 5.530 3.604 3.490 3.687 . 0 0 "[ . 1 . 2]" 1
906 1 17 LEU MD1 1 19 LEU QB . . 4.610 2.204 1.993 2.367 . 0 0 "[ . 1 . 2]" 1
907 1 17 LEU MD1 1 26 VAL QG . . 7.790 3.545 3.482 3.601 . 0 0 "[ . 1 . 2]" 1
908 1 17 LEU MD2 1 19 LEU QB . . 4.950 3.537 3.433 3.610 . 0 0 "[ . 1 . 2]" 1
909 1 19 LEU MD1 1 59 VAL QG . . 8.680 2.691 1.947 3.049 . 0 0 "[ . 1 . 2]" 1
910 1 19 LEU MD1 1 62 HIS QB . . 6.720 3.492 3.193 3.867 . 0 0 "[ . 1 . 2]" 1
911 1 19 LEU MD2 1 59 VAL QG . . 8.250 1.938 1.774 2.294 . 0 0 "[ . 1 . 2]" 1
912 1 19 LEU MD2 1 62 HIS QB . . 7.400 3.250 2.675 3.924 . 0 0 "[ . 1 . 2]" 1
913 1 24 LEU HA 1 24 LEU QB . . 2.580 2.444 2.377 2.482 . 0 0 "[ . 1 . 2]" 1
914 1 24 LEU MD2 1 59 VAL QG . . 7.380 2.789 1.864 3.542 . 0 0 "[ . 1 . 2]" 1
915 1 26 VAL QG 1 37 CYS HA . . 6.490 3.269 2.694 3.608 . 0 0 "[ . 1 . 2]" 1
916 1 26 VAL QG 1 82 LEU MD1 . . 8.530 2.828 2.702 2.961 . 0 0 "[ . 1 . 2]" 1
917 1 26 VAL QG 1 82 LEU MD2 . . 7.510 1.825 1.791 1.872 . 0 0 "[ . 1 . 2]" 1
918 1 28 LEU QB 1 66 ILE MD . . 4.950 2.198 2.001 2.600 . 0 0 "[ . 1 . 2]" 1
919 1 28 LEU MD2 1 80 HIS QB . . 7.090 2.043 1.935 2.206 . 0 0 "[ . 1 . 2]" 1
920 1 35 VAL MG1 1 42 MET QB . . 3.950 2.787 2.660 2.873 . 0 0 "[ . 1 . 2]" 1
921 1 35 VAL MG1 1 42 MET QG . . 5.700 2.168 1.950 3.156 . 0 0 "[ . 1 . 2]" 1
922 1 35 VAL MG1 1 66 ILE QG . . 5.170 3.659 3.504 3.820 . 0 0 "[ . 1 . 2]" 1
923 1 35 VAL MG2 1 80 HIS QB . . 7.400 5.438 5.394 5.514 . 0 0 "[ . 1 . 2]" 1
924 1 36 TRP HA 1 36 TRP QB . . 2.480 2.473 2.418 2.511 0.031 7 0 "[ . 1 . 2]" 1
925 1 37 CYS QB 1 42 MET ME . . 5.380 3.542 3.202 3.928 . 0 0 "[ . 1 . 2]" 1
926 1 41 LYS HA 1 41 LYS QG . . 3.570 2.194 2.010 2.307 . 0 0 "[ . 1 . 2]" 1
927 1 44 THR HA 1 57 PHE QB . . 3.470 2.157 1.997 2.267 . 0 0 "[ . 1 . 2]" 1
928 1 49 VAL MG1 1 54 GLU QG . . 7.180 2.310 1.874 3.018 . 0 0 "[ . 1 . 2]" 1
929 1 49 VAL MG2 1 54 GLU QG . . 4.550 2.789 2.242 3.145 . 0 0 "[ . 1 . 2]" 1
930 1 57 PHE QR 1 59 VAL QG . . 8.000 2.478 1.780 3.088 . 0 0 "[ . 1 . 2]" 1
931 1 57 PHE QR 1 64 CYS QB . . 7.510 2.001 1.876 2.447 . 0 0 "[ . 1 . 2]" 1
932 1 57 PHE QR 1 66 ILE QG . . 8.350 2.220 1.978 3.080 . 0 0 "[ . 1 . 2]" 1
933 1 59 VAL QG 1 62 HIS QB . . 8.950 3.344 2.992 3.831 . 0 0 "[ . 1 . 2]" 1
934 1 59 VAL QG 1 62 HIS HD2 . . 5.480 3.086 1.968 3.634 . 0 0 "[ . 1 . 2]" 1
935 1 62 HIS QB 1 62 HIS HD2 . . 3.370 2.628 2.624 2.639 . 0 0 "[ . 1 . 2]" 1
936 1 65 TYR QE 1 67 LYS QB . . 5.750 2.867 2.302 3.189 . 0 0 "[ . 1 . 2]" 1
937 1 65 TYR QE 1 67 LYS QD . . 7.310 3.070 1.999 4.536 . 0 0 "[ . 1 . 2]" 1
938 1 65 TYR QE 1 83 ILE QG . . 8.300 3.918 3.452 4.219 . 0 0 "[ . 1 . 2]" 1
939 1 66 ILE MG 1 80 HIS QB . . 3.710 1.984 1.932 2.047 . 0 0 "[ . 1 . 2]" 1
940 1 66 ILE QG 1 82 LEU MD1 . . 4.740 2.163 2.008 2.302 . 0 0 "[ . 1 . 2]" 1
941 1 66 ILE QG 1 82 LEU MD2 . . 5.010 3.681 3.657 3.707 . 0 0 "[ . 1 . 2]" 1
942 1 67 LYS QB 1 81 THR HB . . 4.980 3.005 2.698 3.215 . 0 0 "[ . 1 . 2]" 1
943 1 79 ILE HA 1 79 ILE QG . . 3.690 2.440 2.360 2.488 . 0 0 "[ . 1 . 2]" 1
944 1 81 THR MG 1 88 GLU QG . . 5.010 2.748 2.339 2.991 . 0 0 "[ . 1 . 2]" 1
945 1 82 LEU QB 1 82 LEU HG . . 2.640 2.321 2.297 2.354 . 0 0 "[ . 1 . 2]" 1
946 1 82 LEU QB 1 89 ILE HB . . 3.280 2.159 2.032 2.313 . 0 0 "[ . 1 . 2]" 1
947 1 83 ILE HA 1 83 ILE QG . . 3.760 2.388 2.381 2.393 . 0 0 "[ . 1 . 2]" 1
948 1 83 ILE QG 1 88 GLU HA . . 4.610 2.185 2.073 2.262 . 0 0 "[ . 1 . 2]" 1
949 1 84 VAL MG2 1 89 ILE QG . . 4.760 2.667 2.503 2.872 . 0 0 "[ . 1 . 2]" 1
950 1 89 ILE HB 1 89 ILE QG . . 2.590 2.156 2.156 2.157 . 0 0 "[ . 1 . 2]" 1
951 1 91 GLU HA 1 91 GLU QB . . 2.700 2.430 2.304 2.511 . 0 0 "[ . 1 . 2]" 1
952 1 91 GLU HA 1 91 GLU QG . . 3.520 2.292 2.063 2.538 . 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 32
_Distance_constraint_stats_list.Viol_count 609
_Distance_constraint_stats_list.Viol_total 1935.102
_Distance_constraint_stats_list.Viol_max 0.331
_Distance_constraint_stats_list.Viol_rms 0.0970
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1512
_Distance_constraint_stats_list.Viol_average_violations_only 0.1589
_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 15 TRP 5.153 0.232 20 0 "[ . 1 . 2]"
1 17 LEU 16.130 0.331 4 0 "[ . 1 . 2]"
1 19 LEU 15.932 0.316 10 0 "[ . 1 . 2]"
1 22 GLU 15.932 0.316 10 0 "[ . 1 . 2]"
1 24 LEU 16.130 0.331 4 0 "[ . 1 . 2]"
1 26 VAL 5.153 0.232 20 0 "[ . 1 . 2]"
1 27 VAL 9.198 0.256 13 0 "[ . 1 . 2]"
1 36 TRP 9.198 0.256 13 0 "[ . 1 . 2]"
1 65 TYR 16.585 0.284 17 0 "[ . 1 . 2]"
1 67 LYS 4.440 0.202 9 0 "[ . 1 . 2]"
1 69 VAL 16.685 0.276 15 0 "[ . 1 . 2]"
1 71 SER 12.632 0.271 17 0 "[ . 1 . 2]"
1 77 GLY 12.632 0.271 17 0 "[ . 1 . 2]"
1 79 ILE 16.685 0.276 15 0 "[ . 1 . 2]"
1 81 THR 4.440 0.202 9 0 "[ . 1 . 2]"
1 83 ILE 16.585 0.284 17 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 19 LEU H 1 22 GLU O . . 1.800 2.095 2.066 2.116 0.316 10 0 "[ . 1 . 2]" 2
2 1 19 LEU N 1 22 GLU O . . 2.700 2.736 2.716 2.790 0.090 11 0 "[ . 1 . 2]" 2
3 1 19 LEU O 1 22 GLU H . . 1.800 2.012 2.002 2.024 0.224 5 0 "[ . 1 . 2]" 2
4 1 19 LEU O 1 22 GLU N . . 2.700 2.953 2.943 2.963 0.263 5 0 "[ . 1 . 2]" 2
5 1 17 LEU H 1 24 LEU O . . 1.800 2.043 2.019 2.062 0.262 4 0 "[ . 1 . 2]" 2
6 1 17 LEU N 1 24 LEU O . . 2.700 3.011 2.981 3.031 0.331 4 0 "[ . 1 . 2]" 2
7 1 17 LEU O 1 24 LEU H . . 1.800 2.038 2.014 2.056 0.256 4 0 "[ . 1 . 2]" 2
8 1 17 LEU O 1 24 LEU N . . 2.700 2.714 2.692 2.737 0.037 7 0 "[ . 1 . 2]" 2
9 1 15 TRP H 1 26 VAL O . . 1.800 1.851 1.787 2.008 0.208 13 0 "[ . 1 . 2]" 2
10 1 15 TRP N 1 26 VAL O . . 2.700 2.750 2.719 2.885 0.185 6 0 "[ . 1 . 2]" 2
11 1 15 TRP O 1 26 VAL H . . 1.800 1.851 1.790 2.009 0.209 20 0 "[ . 1 . 2]" 2
12 1 15 TRP O 1 26 VAL N . . 2.700 2.802 2.743 2.932 0.232 20 0 "[ . 1 . 2]" 2
13 1 27 VAL H 1 36 TRP O . . 1.800 2.028 1.998 2.054 0.254 1 0 "[ . 1 . 2]" 2
14 1 27 VAL N 1 36 TRP O . . 2.700 2.884 2.807 2.956 0.256 13 0 "[ . 1 . 2]" 2
15 1 27 VAL O 1 36 TRP H . . 1.800 1.806 1.774 1.875 0.075 17 0 "[ . 1 . 2]" 2
16 1 27 VAL O 1 36 TRP N . . 2.700 2.733 2.702 2.761 0.061 6 0 "[ . 1 . 2]" 2
17 1 71 SER H 1 77 GLY O . . 1.800 1.906 1.804 1.991 0.191 19 0 "[ . 1 . 2]" 2
18 1 71 SER N 1 77 GLY O . . 2.700 2.802 2.753 2.908 0.208 6 0 "[ . 1 . 2]" 2
19 1 71 SER O 1 77 GLY H . . 1.800 1.991 1.967 2.003 0.203 13 0 "[ . 1 . 2]" 2
20 1 71 SER O 1 77 GLY N . . 2.700 2.933 2.856 2.971 0.271 17 0 "[ . 1 . 2]" 2
21 1 69 VAL H 1 79 ILE O . . 1.800 1.996 1.952 2.006 0.206 20 0 "[ . 1 . 2]" 2
22 1 69 VAL N 1 79 ILE O . . 2.700 2.881 2.821 2.951 0.251 7 0 "[ . 1 . 2]" 2
23 1 69 VAL O 1 79 ILE H . . 1.800 1.996 1.969 2.007 0.207 16 0 "[ . 1 . 2]" 2
24 1 69 VAL O 1 79 ILE N . . 2.700 2.961 2.935 2.976 0.276 15 0 "[ . 1 . 2]" 2
25 1 67 LYS H 1 81 THR O . . 1.800 1.850 1.799 1.885 0.085 2 0 "[ . 1 . 2]" 2
26 1 67 LYS N 1 81 THR O . . 2.700 2.740 2.722 2.751 0.051 16 0 "[ . 1 . 2]" 2
27 1 67 LYS O 1 81 THR H . . 1.800 1.886 1.803 2.002 0.202 9 0 "[ . 1 . 2]" 2
28 1 67 LYS O 1 81 THR N . . 2.700 2.746 2.722 2.806 0.106 2 0 "[ . 1 . 2]" 2
29 1 65 TYR H 1 83 ILE O . . 1.800 2.023 2.010 2.039 0.239 18 0 "[ . 1 . 2]" 2
30 1 65 TYR N 1 83 ILE O . . 2.700 2.952 2.848 2.984 0.284 17 0 "[ . 1 . 2]" 2
31 1 65 TYR O 1 83 ILE H . . 1.800 2.003 1.956 2.023 0.223 19 0 "[ . 1 . 2]" 2
32 1 65 TYR O 1 83 ILE N . . 2.700 2.852 2.763 2.915 0.215 5 0 "[ . 1 . 2]" 2
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