NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
424679 |
2g1e   |
6982 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2g1e
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 1034
_Distance_constraint_stats_list.Viol_count 1110
_Distance_constraint_stats_list.Viol_total 473.404
_Distance_constraint_stats_list.Viol_max 0.178
_Distance_constraint_stats_list.Viol_rms 0.0072
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0213
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.264 0.044 19 0 "[ . 1 . 2]"
1 2 VAL 0.141 0.025 6 0 "[ . 1 . 2]"
1 3 THR 0.489 0.067 20 0 "[ . 1 . 2]"
1 4 VAL 0.460 0.158 20 0 "[ . 1 . 2]"
1 5 ARG 0.080 0.057 11 0 "[ . 1 . 2]"
1 6 TYR 1.006 0.092 11 0 "[ . 1 . 2]"
1 7 TYR 0.827 0.066 12 0 "[ . 1 . 2]"
1 8 ALA 0.964 0.103 15 0 "[ . 1 . 2]"
1 9 THR 0.009 0.009 13 0 "[ . 1 . 2]"
1 10 LEU 2.410 0.092 11 0 "[ . 1 . 2]"
1 11 ARG 0.404 0.040 11 0 "[ . 1 . 2]"
1 12 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ILE 1.123 0.041 6 0 "[ . 1 . 2]"
1 14 THR 0.156 0.039 12 0 "[ . 1 . 2]"
1 15 LYS 0.286 0.077 16 0 "[ . 1 . 2]"
1 16 LYS 0.755 0.077 16 0 "[ . 1 . 2]"
1 17 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLU 0.161 0.042 11 0 "[ . 1 . 2]"
1 19 GLU 0.060 0.012 9 0 "[ . 1 . 2]"
1 20 THR 0.314 0.033 19 0 "[ . 1 . 2]"
1 21 PHE 0.187 0.025 6 0 "[ . 1 . 2]"
1 22 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ILE 0.297 0.018 17 0 "[ . 1 . 2]"
1 25 SER 0.007 0.007 7 0 "[ . 1 . 2]"
1 26 LYS 0.818 0.032 20 0 "[ . 1 . 2]"
1 27 ILE 1.146 0.074 1 0 "[ . 1 . 2]"
1 28 SER 0.045 0.014 6 0 "[ . 1 . 2]"
1 29 GLU 0.233 0.032 20 0 "[ . 1 . 2]"
1 30 LEU 0.678 0.099 12 0 "[ . 1 . 2]"
1 31 LEU 1.143 0.101 18 0 "[ . 1 . 2]"
1 32 GLU 0.103 0.025 4 0 "[ . 1 . 2]"
1 33 ARG 0.492 0.071 12 0 "[ . 1 . 2]"
1 34 LEU 0.624 0.102 7 0 "[ . 1 . 2]"
1 35 LYS 0.297 0.049 20 0 "[ . 1 . 2]"
1 36 VAL 0.426 0.069 12 0 "[ . 1 . 2]"
1 37 GLU 0.010 0.010 4 0 "[ . 1 . 2]"
1 38 TYR 1.348 0.102 7 0 "[ . 1 . 2]"
1 39 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLU 0.587 0.041 6 0 "[ . 1 . 2]"
1 42 PHE 0.790 0.083 20 0 "[ . 1 . 2]"
1 43 THR 0.627 0.052 20 0 "[ . 1 . 2]"
1 44 LYS 0.004 0.003 13 0 "[ . 1 . 2]"
1 45 GLN 0.223 0.048 20 0 "[ . 1 . 2]"
1 46 MET 1.443 0.083 20 0 "[ . 1 . 2]"
1 47 TYR 1.138 0.071 14 0 "[ . 1 . 2]"
1 48 ASP 0.078 0.027 11 0 "[ . 1 . 2]"
1 51 ASN 0.070 0.014 14 0 "[ . 1 . 2]"
1 52 LEU 1.985 0.177 19 0 "[ . 1 . 2]"
1 53 PHE 1.802 0.177 19 0 "[ . 1 . 2]"
1 54 LYS 1.831 0.178 9 0 "[ . 1 . 2]"
1 55 ASN 1.860 0.178 9 0 "[ . 1 . 2]"
1 56 VAL 1.747 0.152 20 0 "[ . 1 . 2]"
1 57 ILE 0.716 0.063 8 0 "[ . 1 . 2]"
1 58 ILE 0.125 0.034 20 0 "[ . 1 . 2]"
1 59 LEU 0.115 0.017 16 0 "[ . 1 . 2]"
1 60 VAL 0.483 0.105 19 0 "[ . 1 . 2]"
1 61 ASN 0.744 0.081 19 0 "[ . 1 . 2]"
1 62 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ASN 0.021 0.010 20 0 "[ . 1 . 2]"
1 64 ASN 0.088 0.017 16 0 "[ . 1 . 2]"
1 65 ILE 1.265 0.105 19 0 "[ . 1 . 2]"
1 66 THR 0.036 0.016 11 0 "[ . 1 . 2]"
1 67 SER 0.349 0.079 10 0 "[ . 1 . 2]"
1 68 MET 0.444 0.079 10 0 "[ . 1 . 2]"
1 69 LYS 0.057 0.019 5 0 "[ . 1 . 2]"
1 70 GLY 0.787 0.051 15 0 "[ . 1 . 2]"
1 71 LEU 0.011 0.009 12 0 "[ . 1 . 2]"
1 72 ASP 0.354 0.026 8 0 "[ . 1 . 2]"
1 73 THR 0.812 0.074 1 0 "[ . 1 . 2]"
1 74 GLU 0.155 0.028 19 0 "[ . 1 . 2]"
1 75 ILE 1.280 0.063 1 0 "[ . 1 . 2]"
1 76 LYS 0.125 0.015 13 0 "[ . 1 . 2]"
1 77 ASP 0.011 0.004 18 0 "[ . 1 . 2]"
1 78 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ASP 0.156 0.026 7 0 "[ . 1 . 2]"
1 80 LYS 0.384 0.067 20 0 "[ . 1 . 2]"
1 81 ILE 0.787 0.158 20 0 "[ . 1 . 2]"
1 82 ASP 0.061 0.050 11 0 "[ . 1 . 2]"
1 83 LEU 0.293 0.084 1 0 "[ . 1 . 2]"
1 84 PHE 0.628 0.063 8 0 "[ . 1 . 2]"
1 85 PRO 1.193 0.103 15 0 "[ . 1 . 2]"
1 86 PRO 1.170 0.152 20 0 "[ . 1 . 2]"
1 87 VAL 0.749 0.172 8 0 "[ . 1 . 2]"
1 88 ALA 0.394 0.172 8 0 "[ . 1 . 2]"
1 89 GLY 0.065 0.020 8 0 "[ . 1 . 2]"
1 90 GLY 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 7 TYR HA 1 7 TYR QD . . 3.390 2.877 2.523 3.088 . 0 0 "[ . 1 . 2]" 1
2 1 6 TYR HA 1 6 TYR QD . . 3.130 2.327 2.210 2.614 . 0 0 "[ . 1 . 2]" 1
3 1 6 TYR QD 1 16 LYS HB2 . . 4.550 3.435 2.488 4.055 . 0 0 "[ . 1 . 2]" 1
4 1 7 TYR HA 1 7 TYR QE . . 4.770 4.600 4.440 4.678 . 0 0 "[ . 1 . 2]" 1
5 1 6 TYR HA 1 6 TYR QE . . 4.840 4.594 4.534 4.690 . 0 0 "[ . 1 . 2]" 1
6 1 58 ILE HA 1 83 LEU HA . . 3.540 3.187 3.104 3.303 . 0 0 "[ . 1 . 2]" 1
7 1 3 THR HA 1 20 THR HA . . 2.790 2.420 2.137 2.565 . 0 0 "[ . 1 . 2]" 1
8 1 60 VAL HA 1 81 ILE HA . . 3.140 2.926 2.770 3.144 0.004 17 0 "[ . 1 . 2]" 1
9 1 66 THR HA 1 66 THR HB . . 2.850 2.412 2.394 2.446 . 0 0 "[ . 1 . 2]" 1
10 1 28 SER HA 1 28 SER QB . . 2.600 2.235 2.168 2.406 . 0 0 "[ . 1 . 2]" 1
11 1 24 ILE MD 1 30 LEU HA . . 3.080 2.474 2.080 3.032 . 0 0 "[ . 1 . 2]" 1
12 1 27 ILE HA 1 27 ILE MG . . 3.190 2.409 2.350 2.470 . 0 0 "[ . 1 . 2]" 1
13 1 13 ILE HG13 1 45 GLN HG3 . . 4.340 3.802 3.518 4.180 . 0 0 "[ . 1 . 2]" 1
14 1 13 ILE HG12 1 45 GLN HG3 . . 4.450 2.764 2.543 3.137 . 0 0 "[ . 1 . 2]" 1
15 1 13 ILE MD 1 45 GLN HG3 . . 3.110 2.751 2.413 3.118 0.008 20 0 "[ . 1 . 2]" 1
16 1 42 PHE HA 1 45 GLN HG3 . . 4.900 3.855 3.612 4.088 . 0 0 "[ . 1 . 2]" 1
17 1 30 LEU HB3 1 31 LEU HA . . 4.520 4.053 3.927 4.232 . 0 0 "[ . 1 . 2]" 1
18 1 84 PHE HB3 1 85 PRO HB2 . . 5.500 5.486 5.459 5.507 0.007 9 0 "[ . 1 . 2]" 1
19 1 45 GLN HA 1 45 GLN HG2 . . 3.520 2.662 2.467 2.811 . 0 0 "[ . 1 . 2]" 1
20 1 8 ALA HA 1 85 PRO HB3 . . 4.720 2.511 2.247 2.957 . 0 0 "[ . 1 . 2]" 1
21 1 65 ILE HB 1 70 GLY HA2 . . 4.050 3.907 3.802 4.058 0.008 11 0 "[ . 1 . 2]" 1
22 1 84 PHE HB3 1 85 PRO HG3 . . 5.150 5.043 4.928 5.107 . 0 0 "[ . 1 . 2]" 1
23 1 87 VAL HA 1 87 VAL HB . . 2.980 2.708 2.417 3.020 0.040 3 0 "[ . 1 . 2]" 1
24 1 2 VAL HA 1 2 VAL HB . . 2.930 2.432 2.403 2.469 . 0 0 "[ . 1 . 2]" 1
25 1 74 GLU QB 1 75 ILE HA . . 4.740 4.299 4.155 4.711 . 0 0 "[ . 1 . 2]" 1
26 1 57 ILE MG 1 85 PRO HG2 . . 5.030 4.818 4.372 4.975 . 0 0 "[ . 1 . 2]" 1
27 1 43 THR HB 1 44 LYS QB . . 4.410 4.302 3.821 4.413 0.003 13 0 "[ . 1 . 2]" 1
28 1 44 LYS HA 1 44 LYS QB . . 2.710 2.388 2.180 2.454 . 0 0 "[ . 1 . 2]" 1
29 1 79 ASP HA 1 80 LYS HB3 . . 5.120 4.900 4.827 5.008 . 0 0 "[ . 1 . 2]" 1
30 1 60 VAL HB 1 65 ILE MG . . 3.590 2.496 2.031 3.695 0.105 19 0 "[ . 1 . 2]" 1
31 1 6 TYR HA 1 83 LEU HB2 . . 3.900 2.618 2.382 3.751 . 0 0 "[ . 1 . 2]" 1
32 1 71 LEU HB2 1 71 LEU MD1 . . 3.580 2.102 1.975 2.405 . 0 0 "[ . 1 . 2]" 1
33 1 81 ILE HB 1 81 ILE MD . . 2.980 2.067 1.995 2.154 . 0 0 "[ . 1 . 2]" 1
34 1 86 PRO HG3 1 89 GLY QA . . 4.440 4.008 3.349 4.453 0.013 13 0 "[ . 1 . 2]" 1
35 1 27 ILE HG13 1 73 THR HB . . 3.530 2.136 1.989 2.282 . 0 0 "[ . 1 . 2]" 1
36 1 27 ILE HA 1 27 ILE HG13 . . 3.780 3.690 3.664 3.701 . 0 0 "[ . 1 . 2]" 1
37 1 42 PHE HB3 1 46 MET QB . . 5.500 5.510 5.213 5.583 0.083 20 0 "[ . 1 . 2]" 1
38 1 46 MET QB 1 47 TYR HB3 . . 5.500 5.524 5.459 5.571 0.071 14 0 "[ . 1 . 2]" 1
39 1 43 THR HB 1 44 LYS QG . . 4.300 3.342 2.937 4.237 . 0 0 "[ . 1 . 2]" 1
40 1 35 LYS HA 1 35 LYS QG . . 3.250 2.537 2.451 2.615 . 0 0 "[ . 1 . 2]" 1
41 1 59 LEU HB3 1 63 ASN HA . . 4.380 4.222 3.752 4.390 0.010 20 0 "[ . 1 . 2]" 1
42 1 13 ILE MD 1 42 PHE HA . . 3.170 2.077 1.944 2.369 . 0 0 "[ . 1 . 2]" 1
43 1 36 VAL MG1 1 37 GLU HA . . 3.510 3.319 3.141 3.520 0.010 4 0 "[ . 1 . 2]" 1
44 1 13 ILE MG 1 42 PHE HB3 . . 4.380 3.856 3.672 4.094 . 0 0 "[ . 1 . 2]" 1
45 1 13 ILE MD 1 42 PHE HB3 . . 4.870 4.370 4.013 4.600 . 0 0 "[ . 1 . 2]" 1
46 1 75 ILE HA 1 75 ILE MG . . 2.820 2.254 2.236 2.267 . 0 0 "[ . 1 . 2]" 1
47 1 75 ILE MG 1 79 ASP HA . . 3.500 1.892 1.873 1.978 . 0 0 "[ . 1 . 2]" 1
48 1 75 ILE MG 1 80 LYS HA . . 5.500 4.347 4.106 4.484 . 0 0 "[ . 1 . 2]" 1
49 1 75 ILE MG 1 79 ASP QB . . 3.640 3.443 3.274 3.550 . 0 0 "[ . 1 . 2]" 1
50 1 65 ILE MD 1 66 THR HA . . 4.500 4.463 4.417 4.516 0.016 11 0 "[ . 1 . 2]" 1
51 1 65 ILE MD 1 70 GLY HA3 . . 4.440 4.149 3.832 4.438 . 0 0 "[ . 1 . 2]" 1
52 1 65 ILE MD 1 70 GLY HA2 . . 3.570 2.790 2.448 3.027 . 0 0 "[ . 1 . 2]" 1
53 1 71 LEU HB2 1 71 LEU MD2 . . 3.580 2.851 2.602 3.194 . 0 0 "[ . 1 . 2]" 1
54 1 30 LEU HB2 1 81 ILE MD . . 3.400 3.179 2.959 3.471 0.071 12 0 "[ . 1 . 2]" 1
55 1 27 ILE HB 1 65 ILE MD . . 4.040 3.742 3.554 3.990 . 0 0 "[ . 1 . 2]" 1
56 1 56 VAL MG1 1 58 ILE MG . . 3.370 2.818 2.469 3.051 . 0 0 "[ . 1 . 2]" 1
57 1 27 ILE MD 1 73 THR MG . . 3.590 3.017 2.805 3.363 . 0 0 "[ . 1 . 2]" 1
58 1 75 ILE HA 1 75 ILE MD . . 3.930 3.880 3.872 3.890 . 0 0 "[ . 1 . 2]" 1
59 1 75 ILE MD 1 79 ASP QB . . 4.490 3.890 3.696 3.986 . 0 0 "[ . 1 . 2]" 1
60 1 21 PHE HB2 1 24 ILE MD . . 3.800 3.008 2.459 3.710 . 0 0 "[ . 1 . 2]" 1
61 1 21 PHE HB3 1 24 ILE MD . . 3.800 2.410 1.941 2.722 . 0 0 "[ . 1 . 2]" 1
62 1 31 LEU HA 1 34 LEU HB3 . . 4.670 4.491 4.044 4.713 0.043 18 0 "[ . 1 . 2]" 1
63 1 34 LEU HB3 1 34 LEU MD1 . . 3.380 2.479 2.138 3.183 . 0 0 "[ . 1 . 2]" 1
64 1 34 LEU HB3 1 34 LEU MD2 . . 3.380 2.442 2.389 2.549 . 0 0 "[ . 1 . 2]" 1
65 1 16 LYS HB2 1 16 LYS QE . . 4.370 2.958 2.008 4.224 . 0 0 "[ . 1 . 2]" 1
66 1 58 ILE MD 1 59 LEU H . . 5.100 4.987 4.971 5.020 . 0 0 "[ . 1 . 2]" 1
67 1 34 LEU H 1 34 LEU HB2 . . 3.770 2.435 2.139 2.612 . 0 0 "[ . 1 . 2]" 1
68 1 34 LEU H 1 34 LEU HB3 . . 3.970 3.562 3.461 3.593 . 0 0 "[ . 1 . 2]" 1
69 1 34 LEU H 1 34 LEU MD1 . . 3.910 3.357 1.965 3.833 . 0 0 "[ . 1 . 2]" 1
70 1 34 LEU H 1 34 LEU HG . . 4.350 2.743 2.196 4.239 . 0 0 "[ . 1 . 2]" 1
71 1 34 LEU H 1 34 LEU MD2 . . 3.910 3.146 2.669 3.876 . 0 0 "[ . 1 . 2]" 1
72 1 53 PHE HA 1 53 PHE QD . . 3.290 2.858 2.270 3.080 . 0 0 "[ . 1 . 2]" 1
73 1 44 LYS QB 1 45 GLN H . . 4.550 2.729 2.465 3.591 . 0 0 "[ . 1 . 2]" 1
74 1 53 PHE QD 1 56 VAL MG1 . . 3.660 2.447 2.068 3.357 . 0 0 "[ . 1 . 2]" 1
75 1 20 THR HA 1 21 PHE QD . . 4.740 4.337 3.421 4.559 . 0 0 "[ . 1 . 2]" 1
76 1 21 PHE HA 1 21 PHE QD . . 3.460 2.212 1.997 3.043 . 0 0 "[ . 1 . 2]" 1
77 1 2 VAL MG1 1 21 PHE QD . . 5.170 4.221 2.774 5.195 0.025 6 0 "[ . 1 . 2]" 1
78 1 2 VAL MG2 1 21 PHE QD . . 5.170 3.674 2.659 5.145 . 0 0 "[ . 1 . 2]" 1
79 1 21 PHE QD 1 24 ILE MG . . 5.260 5.134 4.612 5.268 0.008 11 0 "[ . 1 . 2]" 1
80 1 21 PHE QD 1 24 ILE MD . . 3.590 3.112 2.067 3.561 . 0 0 "[ . 1 . 2]" 1
81 1 35 LYS HA 1 42 PHE QD . . 3.540 2.134 1.994 2.453 . 0 0 "[ . 1 . 2]" 1
82 1 38 TYR HA 1 38 TYR QD . . 2.940 2.110 2.044 2.215 . 0 0 "[ . 1 . 2]" 1
83 1 34 LEU HA 1 38 TYR QD . . 3.660 3.441 3.015 3.762 0.102 7 0 "[ . 1 . 2]" 1
84 1 46 MET HA 1 47 TYR QD . . 5.450 5.050 4.755 5.453 0.003 14 0 "[ . 1 . 2]" 1
85 1 47 TYR QD 1 52 LEU HA . . 5.140 4.890 4.042 5.178 0.038 6 0 "[ . 1 . 2]" 1
86 1 47 TYR QD 1 51 ASN HA . . 4.470 4.229 3.409 4.484 0.014 14 0 "[ . 1 . 2]" 1
87 1 34 LEU HB2 1 38 TYR QD . . 4.770 3.891 3.475 4.499 . 0 0 "[ . 1 . 2]" 1
88 1 34 LEU HB3 1 38 TYR QD . . 4.330 2.426 2.147 2.817 . 0 0 "[ . 1 . 2]" 1
89 1 46 MET QB 1 47 TYR QD . . 3.920 2.958 2.628 3.323 . 0 0 "[ . 1 . 2]" 1
90 1 43 THR HA 1 47 TYR QD . . 3.520 3.409 3.072 3.556 0.036 11 0 "[ . 1 . 2]" 1
91 1 47 TYR HA 1 47 TYR QD . . 3.690 2.619 2.395 2.875 . 0 0 "[ . 1 . 2]" 1
92 1 6 TYR QD 1 11 ARG HA . . 4.730 3.458 3.054 3.751 . 0 0 "[ . 1 . 2]" 1
93 1 6 TYR QD 1 18 GLU HA . . 4.310 4.072 3.507 4.352 0.042 11 0 "[ . 1 . 2]" 1
94 1 7 TYR QD 1 82 ASP QB . . 4.380 3.489 3.123 3.821 . 0 0 "[ . 1 . 2]" 1
95 1 6 TYR QD 1 83 LEU HB2 . . 4.710 2.779 2.473 3.254 . 0 0 "[ . 1 . 2]" 1
96 1 6 TYR QD 1 83 LEU HB3 . . 4.710 3.948 3.034 4.250 . 0 0 "[ . 1 . 2]" 1
97 1 6 TYR QD 1 10 LEU HB2 . . 5.080 4.744 4.214 4.950 . 0 0 "[ . 1 . 2]" 1
98 1 6 TYR QD 1 16 LYS HB3 . . 4.550 3.894 3.120 4.597 0.047 6 0 "[ . 1 . 2]" 1
99 1 6 TYR QD 1 10 LEU MD1 . . 4.270 3.490 2.191 4.328 0.058 4 0 "[ . 1 . 2]" 1
100 1 6 TYR QD 1 10 LEU MD2 . . 4.270 2.617 1.878 3.583 . 0 0 "[ . 1 . 2]" 1
101 1 47 TYR HA 1 47 TYR QE . . 4.490 4.354 4.279 4.440 . 0 0 "[ . 1 . 2]" 1
102 1 7 TYR QE 1 82 ASP HA . . 3.850 3.741 3.380 3.900 0.050 11 0 "[ . 1 . 2]" 1
103 1 7 TYR QE 1 82 ASP QB . . 3.430 2.838 2.476 3.195 . 0 0 "[ . 1 . 2]" 1
104 1 6 TYR QE 1 10 LEU MD1 . . 4.630 3.824 2.659 4.654 0.024 17 0 "[ . 1 . 2]" 1
105 1 6 TYR QE 1 10 LEU MD2 . . 4.630 3.059 2.370 3.971 . 0 0 "[ . 1 . 2]" 1
106 1 43 THR HA 1 47 TYR QE . . 4.340 4.069 3.702 4.310 . 0 0 "[ . 1 . 2]" 1
107 1 47 TYR QE 1 52 LEU HA . . 5.420 5.167 4.474 5.440 0.020 6 0 "[ . 1 . 2]" 1
108 1 47 TYR QE 1 51 ASN HA . . 4.050 3.652 3.290 4.049 . 0 0 "[ . 1 . 2]" 1
109 1 46 MET QB 1 47 TYR QE . . 4.810 4.334 3.973 4.838 0.028 14 0 "[ . 1 . 2]" 1
110 1 43 THR MG 1 47 TYR QE . . 3.690 2.628 2.227 2.971 . 0 0 "[ . 1 . 2]" 1
111 1 26 LYS HA 1 74 GLU HA . . 2.890 2.522 2.422 2.661 . 0 0 "[ . 1 . 2]" 1
112 1 26 LYS HA 1 26 LYS QE . . 4.270 3.735 3.088 4.264 . 0 0 "[ . 1 . 2]" 1
113 1 4 VAL HA 1 82 ASP HA . . 5.190 4.334 4.271 4.432 . 0 0 "[ . 1 . 2]" 1
114 1 59 LEU HA 1 64 ASN HA . . 3.210 2.771 2.442 2.987 . 0 0 "[ . 1 . 2]" 1
115 1 59 LEU HA 1 63 ASN HA . . 5.210 4.973 4.804 5.191 . 0 0 "[ . 1 . 2]" 1
116 1 80 LYS HB3 1 81 ILE HA . . 4.960 4.889 4.785 4.943 . 0 0 "[ . 1 . 2]" 1
117 1 81 ILE HA 1 81 ILE HG13 . . 3.460 2.593 2.506 2.713 . 0 0 "[ . 1 . 2]" 1
118 1 81 ILE HA 1 81 ILE HG12 . . 3.600 2.947 2.791 3.165 . 0 0 "[ . 1 . 2]" 1
119 1 59 LEU HA 1 65 ILE MG . . 3.940 3.303 3.016 3.585 . 0 0 "[ . 1 . 2]" 1
120 1 84 PHE HA 1 85 PRO HD3 . . 3.380 2.271 2.267 2.275 . 0 0 "[ . 1 . 2]" 1
121 1 84 PHE HA 1 85 PRO HB3 . . 4.840 4.833 4.832 4.836 . 0 0 "[ . 1 . 2]" 1
122 1 72 ASP HA 1 73 THR HB . . 5.500 5.398 5.343 5.499 . 0 0 "[ . 1 . 2]" 1
123 1 64 ASN HA 1 65 ILE HA . . 4.670 4.355 4.344 4.369 . 0 0 "[ . 1 . 2]" 1
124 1 85 PRO HA 1 86 PRO HD2 . . 3.430 2.004 1.926 2.232 . 0 0 "[ . 1 . 2]" 1
125 1 85 PRO HA 1 86 PRO HD3 . . 3.420 2.349 2.265 2.450 . 0 0 "[ . 1 . 2]" 1
126 1 26 LYS HB3 1 72 ASP HA . . 4.310 4.055 3.917 4.262 . 0 0 "[ . 1 . 2]" 1
127 1 26 LYS HB2 1 72 ASP HA . . 5.370 5.383 5.368 5.396 0.026 8 0 "[ . 1 . 2]" 1
128 1 85 PRO HA 1 86 PRO HG2 . . 4.340 4.199 4.133 4.380 0.040 20 0 "[ . 1 . 2]" 1
129 1 85 PRO HA 1 86 PRO HG3 . . 4.460 4.342 4.325 4.388 . 0 0 "[ . 1 . 2]" 1
130 1 64 ASN HA 1 65 ILE MG . . 4.210 3.616 3.518 3.737 . 0 0 "[ . 1 . 2]" 1
131 1 8 ALA MB 1 85 PRO HA . . 4.700 2.282 1.945 2.645 . 0 0 "[ . 1 . 2]" 1
132 1 3 THR HA 1 20 THR HB . . 4.610 4.562 4.289 4.643 0.033 19 0 "[ . 1 . 2]" 1
133 1 4 VAL HA 1 81 ILE HG13 . . 4.990 4.846 4.554 4.982 . 0 0 "[ . 1 . 2]" 1
134 1 13 ILE MG 1 38 TYR HA . . 4.430 4.045 3.933 4.152 . 0 0 "[ . 1 . 2]" 1
135 1 21 PHE HA 1 24 ILE MD . . 4.670 4.526 4.123 4.678 0.008 19 0 "[ . 1 . 2]" 1
136 1 26 LYS HB2 1 74 GLU HA . . 5.350 5.196 5.013 5.338 . 0 0 "[ . 1 . 2]" 1
137 1 26 LYS QD 1 74 GLU HA . . 3.850 2.420 2.233 2.777 . 0 0 "[ . 1 . 2]" 1
138 1 60 VAL HA 1 81 ILE HG13 . . 4.260 3.753 3.470 4.261 0.001 20 0 "[ . 1 . 2]" 1
139 1 60 VAL HA 1 73 THR MG . . 4.930 4.906 4.729 4.980 0.050 19 0 "[ . 1 . 2]" 1
140 1 76 LYS QD 1 77 ASP HA . . 5.260 5.055 4.784 5.264 0.004 18 0 "[ . 1 . 2]" 1
141 1 57 ILE HA 1 57 ILE HG12 . . 3.960 3.538 3.400 3.766 . 0 0 "[ . 1 . 2]" 1
142 1 57 ILE HA 1 57 ILE HG13 . . 3.960 2.691 2.418 3.313 . 0 0 "[ . 1 . 2]" 1
143 1 10 LEU HA 1 13 ILE HA . . 4.860 4.879 4.839 4.898 0.038 9 0 "[ . 1 . 2]" 1
144 1 10 LEU HA 1 13 ILE HG13 . . 4.330 3.611 3.517 3.767 . 0 0 "[ . 1 . 2]" 1
145 1 10 LEU HA 1 10 LEU MD1 . . 3.940 2.856 1.939 3.805 . 0 0 "[ . 1 . 2]" 1
146 1 10 LEU HA 1 10 LEU MD2 . . 3.940 3.298 2.191 3.877 . 0 0 "[ . 1 . 2]" 1
147 1 65 ILE HA 1 68 MET QG . . 4.960 4.557 4.136 4.978 0.018 11 0 "[ . 1 . 2]" 1
148 1 24 ILE HA 1 24 ILE HG12 . . 3.840 2.825 2.628 2.958 . 0 0 "[ . 1 . 2]" 1
149 1 24 ILE HA 1 26 LYS QG . . 5.420 5.163 4.690 5.431 0.011 2 0 "[ . 1 . 2]" 1
150 1 24 ILE HA 1 24 ILE MD . . 3.910 3.871 3.851 3.885 . 0 0 "[ . 1 . 2]" 1
151 1 54 LYS HA 1 55 ASN HA . . 4.620 4.524 4.368 4.548 . 0 0 "[ . 1 . 2]" 1
152 1 53 PHE HA 1 54 LYS HA . . 5.130 4.811 4.796 4.832 . 0 0 "[ . 1 . 2]" 1
153 1 87 VAL HA 1 88 ALA HA . . 4.730 4.544 4.366 4.803 0.073 8 0 "[ . 1 . 2]" 1
154 1 20 THR HA 1 20 THR HB . . 2.950 2.667 2.597 2.711 . 0 0 "[ . 1 . 2]" 1
155 1 28 SER QB 1 72 ASP HA . . 4.020 3.775 3.367 4.032 0.012 3 0 "[ . 1 . 2]" 1
156 1 7 TYR HB3 1 85 PRO HD2 . . 4.120 3.825 3.515 4.131 0.011 15 0 "[ . 1 . 2]" 1
157 1 51 ASN QB 1 52 LEU HA . . 4.510 4.066 3.921 4.327 . 0 0 "[ . 1 . 2]" 1
158 1 84 PHE HB3 1 85 PRO HD3 . . 4.100 3.842 3.733 3.902 . 0 0 "[ . 1 . 2]" 1
159 1 84 PHE HB2 1 85 PRO HD2 . . 4.370 3.906 3.854 3.928 . 0 0 "[ . 1 . 2]" 1
160 1 27 ILE HG12 1 73 THR HB . . 3.400 2.470 2.398 2.591 . 0 0 "[ . 1 . 2]" 1
161 1 27 ILE MD 1 73 THR HB . . 3.830 3.717 3.651 3.766 . 0 0 "[ . 1 . 2]" 1
162 1 3 THR HB 1 80 LYS HA . . 3.820 3.409 2.942 3.839 0.019 20 0 "[ . 1 . 2]" 1
163 1 26 LYS HA 1 27 ILE HA . . 4.560 4.309 4.301 4.314 . 0 0 "[ . 1 . 2]" 1
164 1 43 THR HA 1 46 MET QB . . 4.450 3.012 2.661 3.311 . 0 0 "[ . 1 . 2]" 1
165 1 86 PRO HD2 1 89 GLY QA . . 3.300 3.047 2.389 3.312 0.012 17 0 "[ . 1 . 2]" 1
166 1 15 LYS HA 1 16 LYS QE . . 5.500 5.405 5.177 5.517 0.017 13 0 "[ . 1 . 2]" 1
167 1 10 LEU HA 1 12 PRO QD . . 4.680 3.943 3.884 4.001 . 0 0 "[ . 1 . 2]" 1
168 1 35 LYS HA 1 42 PHE HB2 . . 5.270 4.812 4.457 5.063 . 0 0 "[ . 1 . 2]" 1
169 1 38 TYR HA 1 42 PHE HB2 . . 4.550 4.409 4.344 4.563 0.013 14 0 "[ . 1 . 2]" 1
170 1 66 THR HA 1 70 GLY HA2 . . 4.460 4.135 3.925 4.345 . 0 0 "[ . 1 . 2]" 1
171 1 66 THR MG 1 70 GLY HA2 . . 4.840 4.546 4.188 4.841 0.001 7 0 "[ . 1 . 2]" 1
172 1 65 ILE MG 1 70 GLY HA2 . . 4.940 4.976 4.960 4.991 0.051 15 0 "[ . 1 . 2]" 1
173 1 84 PHE HB3 1 85 PRO HD2 . . 4.270 2.481 2.337 2.561 . 0 0 "[ . 1 . 2]" 1
174 1 17 LYS QB 1 17 LYS QE . . 4.320 3.013 1.951 3.672 . 0 0 "[ . 1 . 2]" 1
175 1 42 PHE HB3 1 43 THR HB . . 5.500 5.285 5.111 5.448 . 0 0 "[ . 1 . 2]" 1
176 1 35 LYS HA 1 42 PHE HB3 . . 4.570 3.326 3.017 3.583 . 0 0 "[ . 1 . 2]" 1
177 1 38 TYR HA 1 42 PHE HB3 . . 4.870 4.804 4.709 4.886 0.016 12 0 "[ . 1 . 2]" 1
178 1 43 THR HA 1 47 TYR HB2 . . 4.800 4.714 4.637 4.765 . 0 0 "[ . 1 . 2]" 1
179 1 35 LYS HA 1 35 LYS QE . . 4.750 4.384 3.688 4.754 0.004 16 0 "[ . 1 . 2]" 1
180 1 1 MET HA 1 1 MET HG2 . . 3.750 3.616 3.590 3.661 . 0 0 "[ . 1 . 2]" 1
181 1 27 ILE HG12 1 65 ILE HB . . 5.460 5.296 4.895 5.467 0.007 8 0 "[ . 1 . 2]" 1
182 1 52 LEU MD2 1 56 VAL HB . . 4.320 3.883 2.329 4.424 0.104 15 0 "[ . 1 . 2]" 1
183 1 36 VAL HB 1 37 GLU HA . . 4.460 4.203 4.150 4.267 . 0 0 "[ . 1 . 2]" 1
184 1 38 TYR HB2 1 41 GLU QB . . 5.470 5.390 5.198 5.498 0.028 16 0 "[ . 1 . 2]" 1
185 1 13 ILE HG12 1 41 GLU QB . . 4.550 4.548 4.396 4.591 0.041 6 0 "[ . 1 . 2]" 1
186 1 10 LEU HB3 1 10 LEU MD1 . . 3.250 2.817 2.248 3.195 . 0 0 "[ . 1 . 2]" 1
187 1 10 LEU HB3 1 10 LEU MD2 . . 3.250 2.260 2.174 2.435 . 0 0 "[ . 1 . 2]" 1
188 1 8 ALA MB 1 85 PRO HD2 . . 3.450 3.496 3.424 3.553 0.103 15 0 "[ . 1 . 2]" 1
189 1 70 GLY HA3 1 71 LEU HG . . 4.400 4.137 3.527 4.402 0.002 10 0 "[ . 1 . 2]" 1
190 1 7 TYR HB3 1 8 ALA MB . . 4.830 4.720 4.642 4.795 . 0 0 "[ . 1 . 2]" 1
191 1 26 LYS QD 1 74 GLU QG . . 4.360 2.089 1.908 2.368 . 0 0 "[ . 1 . 2]" 1
192 1 24 ILE HB 1 24 ILE MD . . 3.090 2.138 2.061 2.375 . 0 0 "[ . 1 . 2]" 1
193 1 13 ILE HA 1 13 ILE HG13 . . 3.330 2.575 2.417 2.687 . 0 0 "[ . 1 . 2]" 1
194 1 76 LYS QB 1 77 ASP HA . . 4.520 4.354 4.339 4.358 . 0 0 "[ . 1 . 2]" 1
195 1 61 ASN HA 1 76 LYS QB . . 4.550 4.232 4.105 4.550 . 1 0 "[ . 1 . 2]" 1
196 1 76 LYS HA 1 76 LYS QB . . 2.790 2.473 2.439 2.499 . 0 0 "[ . 1 . 2]" 1
197 1 13 ILE HG13 1 41 GLU QG . . 4.690 4.698 4.685 4.715 0.025 15 0 "[ . 1 . 2]" 1
198 1 14 THR HB 1 16 LYS QD . . 4.160 3.369 2.131 4.173 0.013 8 0 "[ . 1 . 2]" 1
199 1 14 THR HA 1 16 LYS QD . . 5.010 4.686 4.197 5.027 0.017 13 0 "[ . 1 . 2]" 1
200 1 71 LEU HB3 1 71 LEU MD1 . . 3.580 2.908 2.246 3.127 . 0 0 "[ . 1 . 2]" 1
201 1 3 THR HB 1 80 LYS HB2 . . 4.500 3.903 3.482 4.474 . 0 0 "[ . 1 . 2]" 1
202 1 71 LEU HB3 1 71 LEU MD2 . . 3.580 2.139 1.979 2.372 . 0 0 "[ . 1 . 2]" 1
203 1 65 ILE HA 1 73 THR MG . . 3.540 2.906 2.689 3.163 . 0 0 "[ . 1 . 2]" 1
204 1 79 ASP HA 1 80 LYS HB2 . . 5.060 4.978 4.890 5.035 . 0 0 "[ . 1 . 2]" 1
205 1 26 LYS HA 1 26 LYS QG . . 3.300 3.019 2.870 3.108 . 0 0 "[ . 1 . 2]" 1
206 1 69 LYS HA 1 69 LYS QG . . 2.960 2.142 2.008 2.378 . 0 0 "[ . 1 . 2]" 1
207 1 6 TYR HA 1 83 LEU HB3 . . 3.900 3.598 2.649 3.892 . 0 0 "[ . 1 . 2]" 1
208 1 69 LYS QG 1 70 GLY HA2 . . 5.020 4.835 4.531 5.039 0.019 5 0 "[ . 1 . 2]" 1
209 1 56 VAL HA 1 56 VAL MG1 . . 3.200 3.176 3.162 3.186 . 0 0 "[ . 1 . 2]" 1
210 1 54 LYS HA 1 56 VAL MG1 . . 5.030 4.476 4.346 4.654 . 0 0 "[ . 1 . 2]" 1
211 1 8 ALA HA 1 9 THR MG . . 4.320 4.086 3.886 4.313 . 0 0 "[ . 1 . 2]" 1
212 1 88 ALA MB 1 89 GLY QA . . 4.290 3.820 3.420 4.201 . 0 0 "[ . 1 . 2]" 1
213 1 65 ILE HA 1 66 THR MG . . 4.980 4.954 4.913 4.983 0.003 7 0 "[ . 1 . 2]" 1
214 1 60 VAL HA 1 81 ILE HG12 . . 4.020 3.600 3.196 4.020 . 0 0 "[ . 1 . 2]" 1
215 1 13 ILE HA 1 13 ILE HG12 . . 3.370 2.601 2.579 2.653 . 0 0 "[ . 1 . 2]" 1
216 1 1 MET HA 1 20 THR MG . . 5.120 4.997 4.443 5.123 0.003 14 0 "[ . 1 . 2]" 1
217 1 35 LYS HA 1 43 THR MG . . 4.770 4.761 4.661 4.819 0.049 20 0 "[ . 1 . 2]" 1
218 1 35 LYS QE 1 43 THR MG . . 3.800 2.561 1.792 3.783 . 0 0 "[ . 1 . 2]" 1
219 1 65 ILE HA 1 65 ILE MD . . 4.290 4.169 4.158 4.180 . 0 0 "[ . 1 . 2]" 1
220 1 58 ILE HA 1 59 LEU H . . 3.030 2.175 2.150 2.187 . 0 0 "[ . 1 . 2]" 1
221 1 59 LEU H 1 83 LEU HA . . 4.620 4.327 4.166 4.415 . 0 0 "[ . 1 . 2]" 1
222 1 59 LEU H 1 82 ASP QB . . 4.350 2.687 2.426 2.857 . 0 0 "[ . 1 . 2]" 1
223 1 59 LEU H 1 81 ILE MG . . 4.230 3.650 3.254 4.139 . 0 0 "[ . 1 . 2]" 1
224 1 58 ILE MG 1 59 LEU H . . 3.780 3.724 3.687 3.769 . 0 0 "[ . 1 . 2]" 1
225 1 24 ILE MG 1 30 LEU H . . 4.360 2.769 2.517 3.057 . 0 0 "[ . 1 . 2]" 1
226 1 31 LEU HA 1 53 PHE QD . . 5.500 5.477 5.111 5.598 0.098 18 0 "[ . 1 . 2]" 1
227 1 42 PHE HA 1 42 PHE QD . . 3.750 2.574 2.183 2.919 . 0 0 "[ . 1 . 2]" 1
228 1 13 ILE MD 1 42 PHE QD . . 4.070 1.984 1.887 2.424 . 0 0 "[ . 1 . 2]" 1
229 1 43 THR MG 1 47 TYR QD . . 3.290 2.767 2.409 3.119 . 0 0 "[ . 1 . 2]" 1
230 1 20 THR HA 1 20 THR MG . . 2.760 2.165 1.970 2.256 . 0 0 "[ . 1 . 2]" 1
231 1 3 THR MG 1 20 THR HA . . 3.870 3.570 3.236 3.822 . 0 0 "[ . 1 . 2]" 1
232 1 5 ARG HA 1 18 GLU HA . . 2.890 2.746 2.423 2.900 0.010 15 0 "[ . 1 . 2]" 1
233 1 26 LYS HA 1 74 GLU QG . . 4.460 3.768 3.284 4.216 . 0 0 "[ . 1 . 2]" 1
234 1 26 LYS HA 1 74 GLU QB . . 4.510 4.254 3.971 4.508 . 0 0 "[ . 1 . 2]" 1
235 1 26 LYS HA 1 26 LYS QD . . 4.350 2.131 2.008 2.370 . 0 0 "[ . 1 . 2]" 1
236 1 26 LYS HA 1 75 ILE QG . . 3.900 3.118 2.726 3.288 . 0 0 "[ . 1 . 2]" 1
237 1 26 LYS HA 1 75 ILE MD . . 4.090 3.969 3.660 4.116 0.026 19 0 "[ . 1 . 2]" 1
238 1 5 ARG QD 1 82 ASP HA . . 5.500 4.390 3.019 5.498 . 0 0 "[ . 1 . 2]" 1
239 1 81 ILE HA 1 81 ILE MG . . 2.900 2.351 2.261 2.397 . 0 0 "[ . 1 . 2]" 1
240 1 81 ILE HA 1 81 ILE MD . . 4.030 3.852 3.807 3.882 . 0 0 "[ . 1 . 2]" 1
241 1 57 ILE MG 1 58 ILE HA . . 4.340 4.192 4.089 4.263 . 0 0 "[ . 1 . 2]" 1
242 1 7 TYR HB2 1 84 PHE HA . . 4.130 2.474 2.279 2.682 . 0 0 "[ . 1 . 2]" 1
243 1 7 TYR HB3 1 84 PHE HA . . 4.040 3.775 3.527 4.017 . 0 0 "[ . 1 . 2]" 1
244 1 8 ALA MB 1 84 PHE HA . . 4.000 2.946 2.778 3.089 . 0 0 "[ . 1 . 2]" 1
245 1 4 VAL HA 1 80 LYS HA . . 4.630 4.159 3.912 4.484 . 0 0 "[ . 1 . 2]" 1
246 1 80 LYS HA 1 81 ILE HA . . 4.530 4.396 4.394 4.399 . 0 0 "[ . 1 . 2]" 1
247 1 3 THR MG 1 80 LYS HA . . 4.640 4.569 4.448 4.707 0.067 20 0 "[ . 1 . 2]" 1
248 1 80 LYS HA 1 81 ILE MD . . 4.590 4.287 3.902 4.599 0.009 1 0 "[ . 1 . 2]" 1
249 1 25 SER HA 1 75 ILE QG . . 4.330 3.971 3.701 4.313 . 0 0 "[ . 1 . 2]" 1
250 1 2 VAL HA 1 2 VAL MG1 . . 3.250 2.775 2.332 3.192 . 0 0 "[ . 1 . 2]" 1
251 1 25 SER HA 1 75 ILE MD . . 3.790 3.369 3.049 3.649 . 0 0 "[ . 1 . 2]" 1
252 1 2 VAL HA 1 2 VAL MG2 . . 3.250 2.779 2.259 3.201 . 0 0 "[ . 1 . 2]" 1
253 1 72 ASP HA 1 72 ASP HB2 . . 3.010 2.822 2.513 3.022 0.012 9 0 "[ . 1 . 2]" 1
254 1 4 VAL HA 1 81 ILE HA . . 4.730 4.630 4.478 4.727 . 0 0 "[ . 1 . 2]" 1
255 1 6 TYR HA 1 10 LEU HB2 . . 5.000 4.983 4.820 5.092 0.092 11 0 "[ . 1 . 2]" 1
256 1 4 VAL HA 1 81 ILE HB . . 3.270 2.900 2.599 3.029 . 0 0 "[ . 1 . 2]" 1
257 1 69 LYS HA 1 69 LYS QD . . 3.650 3.243 2.461 3.628 . 0 0 "[ . 1 . 2]" 1
258 1 4 VAL HA 1 4 VAL MG1 . . 3.270 2.705 2.147 3.203 . 0 0 "[ . 1 . 2]" 1
259 1 3 THR HA 1 20 THR MG . . 2.920 2.543 2.187 2.755 . 0 0 "[ . 1 . 2]" 1
260 1 3 THR HA 1 3 THR MG . . 2.860 2.171 2.001 2.353 . 0 0 "[ . 1 . 2]" 1
261 1 4 VAL HA 1 81 ILE MG . . 4.360 4.016 3.695 4.138 . 0 0 "[ . 1 . 2]" 1
262 1 5 ARG HA 1 5 ARG QD . . 4.190 3.481 1.992 4.247 0.057 11 0 "[ . 1 . 2]" 1
263 1 26 LYS HB3 1 74 GLU HA . . 4.080 3.917 3.572 4.089 0.009 13 0 "[ . 1 . 2]" 1
264 1 74 GLU HA 1 74 GLU QG . . 3.490 2.460 2.229 2.577 . 0 0 "[ . 1 . 2]" 1
265 1 73 THR MG 1 74 GLU HA . . 4.120 3.828 3.668 4.048 . 0 0 "[ . 1 . 2]" 1
266 1 66 THR MG 1 67 SER HA . . 5.500 5.435 5.393 5.465 . 0 0 "[ . 1 . 2]" 1
267 1 19 GLU HA 1 20 THR MG . . 4.340 4.115 3.845 4.323 . 0 0 "[ . 1 . 2]" 1
268 1 3 THR MG 1 19 GLU HA . . 4.540 4.460 4.128 4.552 0.012 9 0 "[ . 1 . 2]" 1
269 1 7 TYR HA 1 11 ARG HA . . 5.500 5.431 5.139 5.524 0.024 19 0 "[ . 1 . 2]" 1
270 1 7 TYR HA 1 8 ALA MB . . 5.060 5.022 5.014 5.028 . 0 0 "[ . 1 . 2]" 1
271 1 9 THR HA 1 9 THR HB . . 2.910 2.490 2.390 2.621 . 0 0 "[ . 1 . 2]" 1
272 1 56 VAL HA 1 57 ILE HA . . 4.520 4.408 4.391 4.423 . 0 0 "[ . 1 . 2]" 1
273 1 8 ALA MB 1 9 THR HB . . 5.020 4.847 4.765 4.912 . 0 0 "[ . 1 . 2]" 1
274 1 57 ILE HA 1 57 ILE MG . . 3.300 3.183 3.177 3.193 . 0 0 "[ . 1 . 2]" 1
275 1 12 PRO HA 1 15 LYS HA . . 4.130 3.353 3.217 3.531 . 0 0 "[ . 1 . 2]" 1
276 1 10 LEU HA 1 13 ILE MG . . 3.910 3.241 3.157 3.314 . 0 0 "[ . 1 . 2]" 1
277 1 10 LEU HA 1 13 ILE MD . . 3.190 1.984 1.935 2.089 . 0 0 "[ . 1 . 2]" 1
278 1 27 ILE MG 1 28 SER HA . . 4.560 3.358 3.152 3.461 . 0 0 "[ . 1 . 2]" 1
279 1 76 LYS HA 1 76 LYS QD . . 3.680 2.184 1.999 3.166 . 0 0 "[ . 1 . 2]" 1
280 1 75 ILE MG 1 76 LYS HA . . 4.380 4.044 4.001 4.137 . 0 0 "[ . 1 . 2]" 1
281 1 65 ILE HA 1 65 ILE MG . . 3.010 2.357 2.285 2.409 . 0 0 "[ . 1 . 2]" 1
282 1 45 GLN HA 1 45 GLN HG3 . . 3.840 3.669 3.633 3.702 . 0 0 "[ . 1 . 2]" 1
283 1 24 ILE HA 1 24 ILE MG . . 2.900 2.319 2.254 2.401 . 0 0 "[ . 1 . 2]" 1
284 1 41 GLU HA 1 41 GLU QG . . 3.410 2.546 2.271 2.986 . 0 0 "[ . 1 . 2]" 1
285 1 67 SER HA 1 67 SER QB . . 2.710 2.403 2.189 2.484 . 0 0 "[ . 1 . 2]" 1
286 1 55 ASN HB3 1 86 PRO HA . . 4.350 4.164 3.804 4.359 0.009 8 0 "[ . 1 . 2]" 1
287 1 29 GLU HA 1 29 GLU QG . . 3.380 2.977 2.439 3.339 . 0 0 "[ . 1 . 2]" 1
288 1 29 GLU HA 1 32 GLU QG . . 3.980 3.642 2.768 3.984 0.004 14 0 "[ . 1 . 2]" 1
289 1 33 ARG HA 1 36 VAL HB . . 3.650 2.807 2.680 2.938 . 0 0 "[ . 1 . 2]" 1
290 1 29 GLU HA 1 32 GLU QB . . 3.240 2.832 2.347 3.261 0.021 11 0 "[ . 1 . 2]" 1
291 1 33 ARG HA 1 36 VAL MG2 . . 3.370 3.139 2.776 3.370 0.000 18 0 "[ . 1 . 2]" 1
292 1 66 THR HA 1 66 THR MG . . 2.700 2.386 2.345 2.419 . 0 0 "[ . 1 . 2]" 1
293 1 33 ARG HA 1 36 VAL MG1 . . 4.210 4.150 4.040 4.234 0.024 17 0 "[ . 1 . 2]" 1
294 1 1 MET HG3 1 20 THR HB . . 3.520 2.909 2.289 3.277 . 0 0 "[ . 1 . 2]" 1
295 1 9 THR HA 1 10 LEU HA . . 5.420 4.813 4.797 4.828 . 0 0 "[ . 1 . 2]" 1
296 1 10 LEU HA 1 42 PHE HA . . 5.500 4.836 4.703 5.039 . 0 0 "[ . 1 . 2]" 1
297 1 38 TYR HB3 1 42 PHE HA . . 4.660 4.295 4.152 4.495 . 0 0 "[ . 1 . 2]" 1
298 1 26 LYS HB3 1 28 SER QB . . 4.580 3.561 3.316 4.594 0.014 6 0 "[ . 1 . 2]" 1
299 1 41 GLU QG 1 42 PHE HA . . 4.380 3.916 3.798 4.011 . 0 0 "[ . 1 . 2]" 1
300 1 9 THR HA 1 12 PRO HB2 . . 5.330 5.094 4.947 5.254 . 0 0 "[ . 1 . 2]" 1
301 1 42 PHE HA 1 45 GLN QB . . 4.310 2.450 2.237 2.566 . 0 0 "[ . 1 . 2]" 1
302 1 9 THR HA 1 9 THR MG . . 2.700 2.307 2.126 2.429 . 0 0 "[ . 1 . 2]" 1
303 1 65 ILE MG 1 73 THR HB . . 3.360 3.023 2.635 3.250 . 0 0 "[ . 1 . 2]" 1
304 1 27 ILE MG 1 73 THR HB . . 3.270 3.301 3.276 3.344 0.074 1 0 "[ . 1 . 2]" 1
305 1 65 ILE MD 1 73 THR HB . . 3.550 3.277 3.059 3.463 . 0 0 "[ . 1 . 2]" 1
306 1 86 PRO HD3 1 89 GLY QA . . 4.650 4.520 3.914 4.670 0.020 8 0 "[ . 1 . 2]" 1
307 1 27 ILE HB 1 73 THR HB . . 3.230 2.367 2.144 2.575 . 0 0 "[ . 1 . 2]" 1
308 1 57 ILE MG 1 85 PRO HD3 . . 5.040 4.983 4.762 5.073 0.033 6 0 "[ . 1 . 2]" 1
309 1 55 ASN HA 1 56 VAL HA . . 5.230 4.907 4.703 4.936 . 0 0 "[ . 1 . 2]" 1
310 1 3 THR HB 1 80 LYS QG . . 3.940 3.515 3.028 3.938 . 0 0 "[ . 1 . 2]" 1
311 1 24 ILE MG 1 30 LEU HA . . 3.060 2.236 1.978 2.680 . 0 0 "[ . 1 . 2]" 1
312 1 43 THR HA 1 43 THR MG . . 3.050 2.314 2.235 2.352 . 0 0 "[ . 1 . 2]" 1
313 1 73 THR HA 1 73 THR MG . . 2.860 2.306 2.205 2.364 . 0 0 "[ . 1 . 2]" 1
314 1 65 ILE MG 1 73 THR HA . . 4.920 4.735 4.554 4.956 0.036 19 0 "[ . 1 . 2]" 1
315 1 27 ILE HA 1 27 ILE MD . . 2.840 2.008 1.949 2.106 . 0 0 "[ . 1 . 2]" 1
316 1 15 LYS HA 1 16 LYS HA . . 4.640 4.391 4.312 4.472 . 0 0 "[ . 1 . 2]" 1
317 1 42 PHE HB3 1 43 THR HA . . 4.610 4.452 4.368 4.603 . 0 0 "[ . 1 . 2]" 1
318 1 9 THR HA 1 12 PRO QD . . 3.280 2.589 2.555 2.640 . 0 0 "[ . 1 . 2]" 1
319 1 11 ARG HA 1 12 PRO QD . . 4.030 3.470 3.469 3.470 . 0 0 "[ . 1 . 2]" 1
320 1 36 VAL HA 1 36 VAL MG2 . . 2.640 2.373 2.282 2.435 . 0 0 "[ . 1 . 2]" 1
321 1 36 VAL HA 1 36 VAL MG1 . . 2.820 2.350 2.276 2.430 . 0 0 "[ . 1 . 2]" 1
322 1 12 PRO QD 1 13 ILE MD . . 4.490 4.105 4.060 4.147 . 0 0 "[ . 1 . 2]" 1
323 1 9 THR MG 1 12 PRO QD . . 4.410 4.276 4.090 4.400 . 0 0 "[ . 1 . 2]" 1
324 1 38 TYR HB3 1 42 PHE HB2 . . 3.970 2.026 1.987 2.171 . 0 0 "[ . 1 . 2]" 1
325 1 13 ILE MG 1 42 PHE HB2 . . 3.760 2.345 2.131 2.576 . 0 0 "[ . 1 . 2]" 1
326 1 57 ILE MG 1 84 PHE HB2 . . 3.630 2.021 1.887 2.209 . 0 0 "[ . 1 . 2]" 1
327 1 57 ILE MD 1 84 PHE HB2 . . 4.430 4.169 3.786 4.493 0.063 8 0 "[ . 1 . 2]" 1
328 1 7 TYR HB2 1 8 ALA HA . . 4.610 4.376 4.310 4.443 . 0 0 "[ . 1 . 2]" 1
329 1 7 TYR HB2 1 8 ALA MB . . 4.120 3.977 3.905 4.019 . 0 0 "[ . 1 . 2]" 1
330 1 38 TYR HB2 1 42 PHE HB2 . . 3.970 2.583 2.347 2.921 . 0 0 "[ . 1 . 2]" 1
331 1 14 THR HB 1 16 LYS QE . . 4.020 3.315 2.007 4.027 0.007 15 0 "[ . 1 . 2]" 1
332 1 14 THR HA 1 16 LYS QE . . 4.330 4.026 3.668 4.338 0.008 16 0 "[ . 1 . 2]" 1
333 1 16 LYS HB3 1 16 LYS QE . . 4.370 3.414 2.036 4.313 . 0 0 "[ . 1 . 2]" 1
334 1 13 ILE MG 1 38 TYR HB2 . . 4.140 4.057 3.833 4.179 0.039 7 0 "[ . 1 . 2]" 1
335 1 54 LYS HA 1 55 ASN HB2 . . 5.500 5.437 4.338 5.587 0.087 5 0 "[ . 1 . 2]" 1
336 1 26 LYS HB3 1 26 LYS QE . . 4.160 3.226 2.222 4.048 . 0 0 "[ . 1 . 2]" 1
337 1 26 LYS HB2 1 26 LYS QE . . 4.190 3.941 3.487 4.206 0.016 15 0 "[ . 1 . 2]" 1
338 1 26 LYS QE 1 74 GLU QB . . 4.340 3.366 2.340 4.283 . 0 0 "[ . 1 . 2]" 1
339 1 57 ILE MG 1 84 PHE HB3 . . 3.670 2.279 2.065 2.462 . 0 0 "[ . 1 . 2]" 1
340 1 38 TYR HB3 1 42 PHE HB3 . . 3.790 2.852 2.612 3.030 . 0 0 "[ . 1 . 2]" 1
341 1 55 ASN HB3 1 86 PRO HB3 . . 4.540 2.900 2.543 3.281 . 0 0 "[ . 1 . 2]" 1
342 1 6 TYR HB3 1 10 LEU HB2 . . 4.300 3.991 3.647 4.240 . 0 0 "[ . 1 . 2]" 1
343 1 72 ASP HA 1 72 ASP HB3 . . 3.010 2.797 2.399 3.023 0.013 17 0 "[ . 1 . 2]" 1
344 1 58 ILE HA 1 82 ASP QB . . 4.690 4.090 3.887 4.245 . 0 0 "[ . 1 . 2]" 1
345 1 59 LEU HB2 1 82 ASP QB . . 3.750 2.085 1.976 2.360 . 0 0 "[ . 1 . 2]" 1
346 1 59 LEU HB3 1 82 ASP QB . . 4.060 3.719 3.585 4.026 . 0 0 "[ . 1 . 2]" 1
347 1 6 TYR HB2 1 10 LEU HB3 . . 4.310 4.002 3.574 4.278 . 0 0 "[ . 1 . 2]" 1
348 1 43 THR MG 1 47 TYR HB2 . . 3.540 3.544 3.477 3.592 0.052 20 0 "[ . 1 . 2]" 1
349 1 68 MET QG 1 73 THR HA . . 4.330 3.955 3.460 4.324 . 0 0 "[ . 1 . 2]" 1
350 1 68 MET HA 1 68 MET QG . . 3.370 2.750 2.482 3.082 . 0 0 "[ . 1 . 2]" 1
351 1 32 GLU QG 1 36 VAL MG2 . . 4.760 4.427 2.875 4.785 0.025 4 0 "[ . 1 . 2]" 1
352 1 1 MET HG3 1 20 THR HA . . 5.020 4.647 4.011 5.021 0.001 16 0 "[ . 1 . 2]" 1
353 1 32 GLU HA 1 32 GLU QG . . 3.390 2.634 2.207 3.232 . 0 0 "[ . 1 . 2]" 1
354 1 10 LEU HA 1 38 TYR HB3 . . 5.500 5.520 5.425 5.577 0.077 17 0 "[ . 1 . 2]" 1
355 1 13 ILE MG 1 38 TYR HB3 . . 3.290 2.737 2.560 2.832 . 0 0 "[ . 1 . 2]" 1
356 1 27 ILE HB 1 27 ILE MD . . 3.230 3.222 3.215 3.230 0.000 4 0 "[ . 1 . 2]" 1
357 1 58 ILE HA 1 59 LEU HB2 . . 4.630 4.428 4.324 4.540 . 0 0 "[ . 1 . 2]" 1
358 1 65 ILE HB 1 65 ILE MD . . 3.080 2.429 2.383 2.464 . 0 0 "[ . 1 . 2]" 1
359 1 6 TYR HA 1 10 LEU HB3 . . 4.140 3.676 3.548 3.874 . 0 0 "[ . 1 . 2]" 1
360 1 85 PRO HB3 1 86 PRO HD2 . . 3.970 3.569 3.103 3.828 . 0 0 "[ . 1 . 2]" 1
361 1 6 TYR HB3 1 10 LEU HB3 . . 3.810 2.309 1.989 2.536 . 0 0 "[ . 1 . 2]" 1
362 1 69 LYS HB2 1 73 THR HA . . 3.230 2.777 2.619 3.039 . 0 0 "[ . 1 . 2]" 1
363 1 1 MET HB3 1 1 MET HG3 . . 3.000 2.687 2.399 2.978 . 0 0 "[ . 1 . 2]" 1
364 1 24 ILE MG 1 29 GLU QB . . 3.770 2.546 2.063 3.736 . 0 0 "[ . 1 . 2]" 1
365 1 2 VAL HB 1 75 ILE MD . . 3.890 3.555 3.074 3.912 0.022 8 0 "[ . 1 . 2]" 1
366 1 1 MET HB3 1 20 THR HB . . 4.340 3.886 2.927 4.348 0.008 13 0 "[ . 1 . 2]" 1
367 1 87 VAL HB 1 88 ALA HA . . 5.500 4.938 4.132 5.672 0.172 8 0 "[ . 1 . 2]" 1
368 1 87 VAL HB 1 88 ALA MB . . 5.440 4.042 3.296 4.960 . 0 0 "[ . 1 . 2]" 1
369 1 42 PHE HB2 1 45 GLN QB . . 4.710 4.657 4.460 4.758 0.048 20 0 "[ . 1 . 2]" 1
370 1 55 ASN HB3 1 86 PRO HB2 . . 4.540 2.133 1.993 2.606 . 0 0 "[ . 1 . 2]" 1
371 1 44 LYS QB 1 44 LYS QD . . 2.770 2.193 2.023 2.449 . 0 0 "[ . 1 . 2]" 1
372 1 61 ASN HA 1 80 LYS HB3 . . 3.730 2.494 2.298 2.664 . 0 0 "[ . 1 . 2]" 1
373 1 60 VAL HB 1 73 THR MG . . 3.760 2.875 2.680 3.505 . 0 0 "[ . 1 . 2]" 1
374 1 53 PHE HA 1 54 LYS QB . . 5.430 5.241 5.148 5.444 0.014 6 0 "[ . 1 . 2]" 1
375 1 54 LYS HA 1 54 LYS QB . . 2.720 2.217 2.174 2.337 . 0 0 "[ . 1 . 2]" 1
376 1 10 LEU HA 1 13 ILE HB . . 3.560 1.982 1.974 1.992 . 0 0 "[ . 1 . 2]" 1
377 1 13 ILE HB 1 13 ILE MD . . 2.900 2.212 2.183 2.322 . 0 0 "[ . 1 . 2]" 1
378 1 56 VAL HA 1 86 PRO HG3 . . 4.630 2.603 2.192 3.753 . 0 0 "[ . 1 . 2]" 1
379 1 55 ASN HB2 1 86 PRO HG3 . . 4.680 4.283 3.834 4.731 0.051 20 0 "[ . 1 . 2]" 1
380 1 55 ASN HB3 1 86 PRO HG3 . . 4.950 4.027 3.314 4.968 0.018 20 0 "[ . 1 . 2]" 1
381 1 56 VAL HB 1 86 PRO HG3 . . 4.190 3.595 3.513 3.874 . 0 0 "[ . 1 . 2]" 1
382 1 69 LYS QD 1 73 THR HA . . 4.060 3.858 3.368 4.060 0.000 2 0 "[ . 1 . 2]" 1
383 1 25 SER HA 1 75 ILE HB . . 4.270 4.098 3.941 4.277 0.007 7 0 "[ . 1 . 2]" 1
384 1 11 ARG QB 1 12 PRO QD . . 3.510 1.824 1.817 1.829 . 0 0 "[ . 1 . 2]" 1
385 1 44 LYS QD 1 44 LYS QE . . 2.400 2.046 2.005 2.090 . 0 0 "[ . 1 . 2]" 1
386 1 33 ARG QB 1 36 VAL HB . . 4.730 4.709 4.533 4.799 0.069 12 0 "[ . 1 . 2]" 1
387 1 68 MET QG 1 69 LYS QD . . 4.600 2.948 2.505 3.408 . 0 0 "[ . 1 . 2]" 1
388 1 44 LYS QD 1 44 LYS QG . . 2.400 2.055 2.021 2.092 . 0 0 "[ . 1 . 2]" 1
389 1 27 ILE HG13 1 73 THR MG . . 3.300 2.165 1.970 2.470 . 0 0 "[ . 1 . 2]" 1
390 1 27 ILE HG13 1 65 ILE MG . . 2.840 2.255 1.995 2.502 . 0 0 "[ . 1 . 2]" 1
391 1 27 ILE HG13 1 65 ILE MD . . 3.000 2.993 2.724 3.031 0.031 8 0 "[ . 1 . 2]" 1
392 1 59 LEU HG 1 64 ASN HA . . 3.610 3.570 3.482 3.620 0.010 1 0 "[ . 1 . 2]" 1
393 1 59 LEU HA 1 59 LEU HG . . 3.950 2.644 2.565 2.750 . 0 0 "[ . 1 . 2]" 1
394 1 59 LEU HG 1 82 ASP QB . . 4.080 3.960 3.668 4.086 0.006 1 0 "[ . 1 . 2]" 1
395 1 13 ILE HG13 1 13 ILE MG . . 3.350 3.181 3.167 3.188 . 0 0 "[ . 1 . 2]" 1
396 1 83 LEU HA 1 83 LEU HG . . 3.910 2.925 2.169 3.705 . 0 0 "[ . 1 . 2]" 1
397 1 31 LEU HA 1 34 LEU HB2 . . 3.610 3.097 2.606 3.355 . 0 0 "[ . 1 . 2]" 1
398 1 54 LYS HA 1 54 LYS QG . . 3.370 2.978 2.424 3.427 0.057 11 0 "[ . 1 . 2]" 1
399 1 54 LYS QG 1 55 ASN HA . . 4.080 3.632 3.488 4.075 . 0 0 "[ . 1 . 2]" 1
400 1 54 LYS QG 1 55 ASN HB2 . . 4.220 3.529 2.774 4.167 . 0 0 "[ . 1 . 2]" 1
401 1 54 LYS QG 1 55 ASN HB3 . . 4.800 4.691 4.311 4.978 0.178 9 0 "[ . 1 . 2]" 1
402 1 56 VAL HB 1 86 PRO HG2 . . 5.270 5.312 5.229 5.422 0.152 20 0 "[ . 1 . 2]" 1
403 1 80 LYS HA 1 80 LYS QG . . 3.280 2.533 2.424 2.624 . 0 0 "[ . 1 . 2]" 1
404 1 61 ASN HA 1 80 LYS HB2 . . 4.510 4.169 4.008 4.365 . 0 0 "[ . 1 . 2]" 1
405 1 61 ASN HA 1 80 LYS QG . . 4.840 3.953 3.460 4.450 . 0 0 "[ . 1 . 2]" 1
406 1 65 ILE HB 1 73 THR MG . . 3.640 2.222 1.977 2.541 . 0 0 "[ . 1 . 2]" 1
407 1 35 LYS QG 1 43 THR MG . . 3.580 3.195 2.276 3.607 0.027 6 0 "[ . 1 . 2]" 1
408 1 27 ILE HA 1 27 ILE HG12 . . 3.730 3.040 2.874 3.106 . 0 0 "[ . 1 . 2]" 1
409 1 26 LYS QG 1 74 GLU QG . . 4.230 3.963 3.623 4.224 . 0 0 "[ . 1 . 2]" 1
410 1 11 ARG HA 1 11 ARG QG . . 3.110 2.104 2.004 2.225 . 0 0 "[ . 1 . 2]" 1
411 1 52 LEU QB 1 53 PHE HA . . 4.270 4.137 3.897 4.401 0.131 17 0 "[ . 1 . 2]" 1
412 1 7 TYR HA 1 11 ARG QG . . 3.700 2.779 2.257 3.302 . 0 0 "[ . 1 . 2]" 1
413 1 75 ILE MD 1 81 ILE HG13 . . 2.640 2.461 2.104 2.661 0.021 9 0 "[ . 1 . 2]" 1
414 1 87 VAL HA 1 88 ALA MB . . 5.100 4.487 3.749 5.032 . 0 0 "[ . 1 . 2]" 1
415 1 8 ALA MB 1 9 THR MG . . 3.820 3.429 3.094 3.829 0.009 13 0 "[ . 1 . 2]" 1
416 1 65 ILE HB 1 66 THR MG . . 4.960 4.747 4.619 4.864 . 0 0 "[ . 1 . 2]" 1
417 1 69 LYS HB3 1 73 THR HA . . 3.230 2.261 2.002 2.796 . 0 0 "[ . 1 . 2]" 1
418 1 2 VAL HA 1 20 THR MG . . 4.400 4.314 4.136 4.406 0.006 9 0 "[ . 1 . 2]" 1
419 1 1 MET HG2 1 20 THR MG . . 3.510 3.242 2.901 3.517 0.007 6 0 "[ . 1 . 2]" 1
420 1 1 MET HG3 1 20 THR MG . . 3.470 2.448 1.971 3.500 0.030 19 0 "[ . 1 . 2]" 1
421 1 13 ILE HG12 1 13 ILE MG . . 3.100 2.308 2.275 2.328 . 0 0 "[ . 1 . 2]" 1
422 1 24 ILE HA 1 24 ILE HG13 . . 3.840 2.721 2.579 3.126 . 0 0 "[ . 1 . 2]" 1
423 1 65 ILE MG 1 73 THR MG . . 3.190 1.861 1.791 1.935 . 0 0 "[ . 1 . 2]" 1
424 1 32 GLU QB 1 36 VAL MG2 . . 4.170 3.441 3.059 3.867 . 0 0 "[ . 1 . 2]" 1
425 1 56 VAL HA 1 56 VAL MG2 . . 3.160 2.087 2.031 2.138 . 0 0 "[ . 1 . 2]" 1
426 1 56 VAL MG2 1 86 PRO HD3 . . 4.450 2.701 2.323 3.115 . 0 0 "[ . 1 . 2]" 1
427 1 46 MET QB 1 56 VAL MG2 . . 5.130 4.784 4.407 5.178 0.048 20 0 "[ . 1 . 2]" 1
428 1 3 THR MG 1 80 LYS HB2 . . 5.120 4.965 4.804 5.121 0.001 8 0 "[ . 1 . 2]" 1
429 1 13 ILE MG 1 14 THR HA . . 3.670 3.354 3.159 3.490 . 0 0 "[ . 1 . 2]" 1
430 1 13 ILE MG 1 41 GLU QG . . 3.840 3.164 2.986 3.434 . 0 0 "[ . 1 . 2]" 1
431 1 13 ILE MD 1 41 GLU QG . . 4.360 3.724 3.380 4.088 . 0 0 "[ . 1 . 2]" 1
432 1 13 ILE MG 1 41 GLU QB . . 3.440 3.406 3.274 3.475 0.035 20 0 "[ . 1 . 2]" 1
433 1 61 ASN HA 1 75 ILE MG . . 4.880 3.743 3.602 3.900 . 0 0 "[ . 1 . 2]" 1
434 1 61 ASN HB2 1 75 ILE MG . . 5.040 3.347 2.648 4.181 . 0 0 "[ . 1 . 2]" 1
435 1 61 ASN HB3 1 75 ILE MG . . 5.040 3.439 2.618 4.160 . 0 0 "[ . 1 . 2]" 1
436 1 12 PRO HB2 1 13 ILE MD . . 5.500 5.319 5.192 5.457 . 0 0 "[ . 1 . 2]" 1
437 1 58 ILE HA 1 58 ILE MG . . 2.920 2.299 2.280 2.321 . 0 0 "[ . 1 . 2]" 1
438 1 24 ILE MG 1 29 GLU QG . . 4.040 3.533 1.940 4.053 0.013 2 0 "[ . 1 . 2]" 1
439 1 56 VAL MG2 1 58 ILE MG . . 2.430 2.389 2.264 2.464 0.034 20 0 "[ . 1 . 2]" 1
440 1 65 ILE MD 1 66 THR MG . . 3.770 3.539 3.429 3.664 . 0 0 "[ . 1 . 2]" 1
441 1 65 ILE MD 1 65 ILE MG . . 2.400 1.972 1.901 2.080 . 0 0 "[ . 1 . 2]" 1
442 1 56 VAL HA 1 57 ILE MG . . 4.930 3.520 3.366 3.634 . 0 0 "[ . 1 . 2]" 1
443 1 58 ILE MG 1 83 LEU HA . . 3.410 2.561 2.332 2.925 . 0 0 "[ . 1 . 2]" 1
444 1 4 VAL HA 1 4 VAL MG2 . . 3.270 2.519 2.291 3.202 . 0 0 "[ . 1 . 2]" 1
445 1 57 ILE HB 1 57 ILE MD . . 3.410 2.303 2.145 2.430 . 0 0 "[ . 1 . 2]" 1
446 1 57 ILE MD 1 84 PHE HB3 . . 5.490 4.588 3.894 5.501 0.011 8 0 "[ . 1 . 2]" 1
447 1 24 ILE MD 1 24 ILE MG . . 2.510 2.418 1.975 2.527 0.017 9 0 "[ . 1 . 2]" 1
448 1 57 ILE HA 1 58 ILE MD . . 3.640 3.047 2.987 3.081 . 0 0 "[ . 1 . 2]" 1
449 1 57 ILE HA 1 57 ILE MD . . 3.630 3.121 2.002 3.604 . 0 0 "[ . 1 . 2]" 1
450 1 52 LEU HA 1 52 LEU HG . . 3.870 3.583 2.791 3.695 . 0 0 "[ . 1 . 2]" 1
451 1 52 LEU MD1 1 56 VAL HB . . 4.320 2.465 2.054 4.319 . 0 0 "[ . 1 . 2]" 1
452 1 75 ILE MD 1 81 ILE MD . . 2.400 1.887 1.761 2.104 . 0 0 "[ . 1 . 2]" 1
453 1 42 PHE HA 1 45 GLN HG2 . . 4.700 4.390 4.087 4.661 . 0 0 "[ . 1 . 2]" 1
454 1 13 ILE HA 1 13 ILE MG . . 2.930 2.535 2.455 2.612 . 0 0 "[ . 1 . 2]" 1
455 1 6 TYR QE 1 14 THR HB . . 4.390 3.869 3.123 4.396 0.006 12 0 "[ . 1 . 2]" 1
456 1 30 LEU HG 1 81 ILE MD . . 3.140 1.992 1.875 3.239 0.099 12 0 "[ . 1 . 2]" 1
457 1 81 ILE HG12 1 81 ILE MG . . 2.810 2.175 1.928 2.231 . 0 0 "[ . 1 . 2]" 1
458 1 81 ILE HG13 1 81 ILE MG . . 3.260 3.097 2.998 3.154 . 0 0 "[ . 1 . 2]" 1
459 1 29 GLU HA 1 30 LEU HA . . 4.870 4.797 4.775 4.834 . 0 0 "[ . 1 . 2]" 1
460 1 75 ILE HB 1 79 ASP QB . . 4.670 4.611 4.317 4.696 0.026 7 0 "[ . 1 . 2]" 1
461 1 27 ILE HG12 1 27 ILE MG . . 3.300 3.200 3.195 3.202 . 0 0 "[ . 1 . 2]" 1
462 1 27 ILE MD 1 27 ILE MG . . 2.820 1.964 1.922 2.026 . 0 0 "[ . 1 . 2]" 1
463 1 27 ILE MG 1 65 ILE MD . . 2.430 2.328 2.083 2.462 0.032 19 0 "[ . 1 . 2]" 1
464 1 27 ILE MG 1 30 LEU HB2 . . 4.670 4.377 4.121 4.687 0.017 19 0 "[ . 1 . 2]" 1
465 1 1 MET HB2 1 1 MET HG3 . . 3.000 2.375 2.248 3.008 0.008 4 0 "[ . 1 . 2]" 1
466 1 1 MET HB2 1 20 THR HB . . 4.340 3.031 2.321 4.362 0.022 19 0 "[ . 1 . 2]" 1
467 1 56 VAL HB 1 58 ILE MD . . 4.540 4.398 4.319 4.560 0.020 11 0 "[ . 1 . 2]" 1
468 1 14 THR H 1 16 LYS H . . 4.030 3.731 3.592 4.063 0.033 16 0 "[ . 1 . 2]" 1
469 1 3 THR H 1 3 THR HB . . 3.630 2.892 2.526 3.492 . 0 0 "[ . 1 . 2]" 1
470 1 26 LYS HA 1 75 ILE H . . 3.740 3.601 3.254 3.761 0.021 8 0 "[ . 1 . 2]" 1
471 1 6 TYR H 1 18 GLU HA . . 3.840 3.736 3.351 3.860 0.020 15 0 "[ . 1 . 2]" 1
472 1 74 GLU HA 1 75 ILE H . . 3.170 2.385 2.256 2.449 . 0 0 "[ . 1 . 2]" 1
473 1 5 ARG HA 1 6 TYR H . . 3.280 2.282 2.226 2.336 . 0 0 "[ . 1 . 2]" 1
474 1 60 VAL H 1 63 ASN H . . 3.850 3.026 2.729 3.118 . 0 0 "[ . 1 . 2]" 1
475 1 62 GLY H 1 63 ASN H . . 3.790 2.765 2.627 2.852 . 0 0 "[ . 1 . 2]" 1
476 1 19 GLU H 1 20 THR H . . 4.410 4.396 4.353 4.421 0.011 13 0 "[ . 1 . 2]" 1
477 1 78 ASP H 1 79 ASP H . . 3.360 2.726 2.555 2.758 . 0 0 "[ . 1 . 2]" 1
478 1 77 ASP H 1 78 ASP H . . 4.310 2.731 2.694 2.753 . 0 0 "[ . 1 . 2]" 1
479 1 61 ASN H 1 62 GLY H . . 3.880 2.856 2.772 2.954 . 0 0 "[ . 1 . 2]" 1
480 1 4 VAL H 1 19 GLU H . . 4.060 3.146 2.821 3.359 . 0 0 "[ . 1 . 2]" 1
481 1 59 LEU H 1 82 ASP H . . 4.040 2.807 2.615 3.178 . 0 0 "[ . 1 . 2]" 1
482 1 5 ARG H 1 83 LEU H . . 4.350 3.671 3.410 3.880 . 0 0 "[ . 1 . 2]" 1
483 1 25 SER H 1 26 LYS H . . 3.570 1.893 1.877 1.942 . 0 0 "[ . 1 . 2]" 1
484 1 27 ILE H 1 74 GLU H . . 5.030 5.015 4.896 5.058 0.028 19 0 "[ . 1 . 2]" 1
485 1 73 THR H 1 74 GLU H . . 4.710 4.591 4.543 4.624 . 0 0 "[ . 1 . 2]" 1
486 1 42 PHE H 1 44 LYS H . . 4.710 4.102 3.947 4.327 . 0 0 "[ . 1 . 2]" 1
487 1 43 THR H 1 44 LYS H . . 3.590 2.713 2.599 2.835 . 0 0 "[ . 1 . 2]" 1
488 1 44 LYS H 1 45 GLN H . . 3.650 2.548 2.485 2.602 . 0 0 "[ . 1 . 2]" 1
489 1 17 LYS H 1 18 GLU H . . 4.390 2.065 1.889 2.556 . 0 0 "[ . 1 . 2]" 1
490 1 45 GLN H 1 47 TYR H . . 4.460 4.038 3.868 4.118 . 0 0 "[ . 1 . 2]" 1
491 1 46 MET H 1 47 TYR H . . 3.520 2.131 2.085 2.193 . 0 0 "[ . 1 . 2]" 1
492 1 55 ASN H 1 56 VAL H . . 3.950 1.923 1.840 2.627 . 0 0 "[ . 1 . 2]" 1
493 1 38 TYR H 1 39 GLY H . . 3.250 2.456 2.415 2.505 . 0 0 "[ . 1 . 2]" 1
494 1 36 VAL H 1 37 GLU H . . 3.420 2.661 2.605 2.676 . 0 0 "[ . 1 . 2]" 1
495 1 33 ARG H 1 34 LEU H . . 3.570 2.596 2.505 2.841 . 0 0 "[ . 1 . 2]" 1
496 1 34 LEU H 1 35 LYS H . . 3.650 2.703 2.643 2.854 . 0 0 "[ . 1 . 2]" 1
497 1 10 LEU H 1 11 ARG H . . 3.720 2.615 2.580 2.648 . 0 0 "[ . 1 . 2]" 1
498 1 9 THR H 1 10 LEU H . . 4.160 2.654 2.641 2.679 . 0 0 "[ . 1 . 2]" 1
499 1 71 LEU H 1 72 ASP H . . 4.420 2.207 2.023 2.398 . 0 0 "[ . 1 . 2]" 1
500 1 68 MET H 1 69 LYS H . . 3.570 2.869 2.751 2.991 . 0 0 "[ . 1 . 2]" 1
501 1 69 LYS H 1 70 GLY H . . 4.490 4.460 4.449 4.468 . 0 0 "[ . 1 . 2]" 1
502 1 23 GLY H 1 24 ILE H . . 4.110 2.653 2.229 3.003 . 0 0 "[ . 1 . 2]" 1
503 1 35 LYS H 1 36 VAL H . . 3.840 2.708 2.661 2.796 . 0 0 "[ . 1 . 2]" 1
504 1 32 GLU H 1 35 LYS H . . 5.250 5.028 4.667 5.168 . 0 0 "[ . 1 . 2]" 1
505 1 14 THR H 1 15 LYS H . . 3.790 2.084 2.022 2.211 . 0 0 "[ . 1 . 2]" 1
506 1 13 ILE H 1 14 THR H . . 3.340 2.327 2.225 2.518 . 0 0 "[ . 1 . 2]" 1
507 1 26 LYS H 1 75 ILE H . . 5.500 5.497 5.397 5.522 0.022 17 0 "[ . 1 . 2]" 1
508 1 74 GLU H 1 75 ILE H . . 4.740 4.518 4.498 4.542 . 0 0 "[ . 1 . 2]" 1
509 1 29 GLU H 1 30 LEU H . . 3.390 2.628 2.536 2.699 . 0 0 "[ . 1 . 2]" 1
510 1 33 ARG H 1 36 VAL H . . 4.960 4.851 4.652 4.965 0.005 13 0 "[ . 1 . 2]" 1
511 1 30 LEU H 1 31 LEU H . . 3.640 2.736 2.684 2.816 . 0 0 "[ . 1 . 2]" 1
512 1 31 LEU H 1 32 GLU H . . 3.880 2.832 2.572 2.916 . 0 0 "[ . 1 . 2]" 1
513 1 42 PHE H 1 43 THR H . . 3.670 2.591 2.463 2.707 . 0 0 "[ . 1 . 2]" 1
514 1 72 ASP H 1 73 THR H . . 3.510 2.561 2.551 2.574 . 0 0 "[ . 1 . 2]" 1
515 1 53 PHE H 1 53 PHE QD . . 4.240 3.785 1.995 4.184 . 0 0 "[ . 1 . 2]" 1
516 1 21 PHE H 1 21 PHE QD . . 4.160 3.814 3.436 4.046 . 0 0 "[ . 1 . 2]" 1
517 1 21 PHE QD 1 22 ASN H . . 4.440 3.442 2.913 3.750 . 0 0 "[ . 1 . 2]" 1
518 1 35 LYS H 1 42 PHE QD . . 4.200 4.068 3.752 4.221 0.021 7 0 "[ . 1 . 2]" 1
519 1 42 PHE H 1 42 PHE QD . . 4.170 4.131 4.006 4.171 0.001 4 0 "[ . 1 . 2]" 1
520 1 42 PHE QD 1 43 THR H . . 3.760 3.385 2.851 3.771 0.011 8 0 "[ . 1 . 2]" 1
521 1 38 TYR QD 1 39 GLY H . . 4.680 4.521 4.468 4.644 . 0 0 "[ . 1 . 2]" 1
522 1 47 TYR QD 1 48 ASP H . . 4.740 4.462 4.324 4.619 . 0 0 "[ . 1 . 2]" 1
523 1 47 TYR H 1 47 TYR QD . . 3.610 2.620 2.458 2.785 . 0 0 "[ . 1 . 2]" 1
524 1 6 TYR H 1 6 TYR QD . . 3.970 3.407 3.196 3.507 . 0 0 "[ . 1 . 2]" 1
525 1 13 ILE H 1 15 LYS H . . 4.280 3.397 3.304 3.457 . 0 0 "[ . 1 . 2]" 1
526 1 26 LYS H 1 29 GLU H . . 4.420 4.314 3.949 4.452 0.032 20 0 "[ . 1 . 2]" 1
527 1 28 SER H 1 29 GLU H . . 3.830 2.883 2.767 2.932 . 0 0 "[ . 1 . 2]" 1
528 1 7 TYR QE 1 83 LEU H . . 4.110 3.918 3.672 4.098 . 0 0 "[ . 1 . 2]" 1
529 1 20 THR HA 1 21 PHE H . . 3.260 2.331 2.260 2.430 . 0 0 "[ . 1 . 2]" 1
530 1 26 LYS HA 1 27 ILE H . . 3.350 2.325 2.301 2.358 . 0 0 "[ . 1 . 2]" 1
531 1 81 ILE HA 1 82 ASP H . . 3.200 2.203 2.186 2.208 . 0 0 "[ . 1 . 2]" 1
532 1 18 GLU HA 1 19 GLU H . . 3.050 2.249 2.225 2.321 . 0 0 "[ . 1 . 2]" 1
533 1 61 ASN H 1 81 ILE HA . . 4.110 3.506 3.381 3.688 . 0 0 "[ . 1 . 2]" 1
534 1 59 LEU HA 1 60 VAL H . . 3.260 2.147 2.141 2.223 . 0 0 "[ . 1 . 2]" 1
535 1 1 MET HA 1 21 PHE H . . 4.880 4.436 4.027 4.871 . 0 0 "[ . 1 . 2]" 1
536 1 80 LYS HA 1 81 ILE H . . 3.420 2.146 2.141 2.159 . 0 0 "[ . 1 . 2]" 1
537 1 51 ASN HA 1 52 LEU H . . 3.210 2.387 2.263 2.405 . 0 0 "[ . 1 . 2]" 1
538 1 83 LEU HA 1 84 PHE H . . 3.240 2.141 2.139 2.142 . 0 0 "[ . 1 . 2]" 1
539 1 78 ASP H 1 79 ASP HA . . 5.100 4.967 4.833 4.987 . 0 0 "[ . 1 . 2]" 1
540 1 64 ASN HA 1 65 ILE H . . 3.340 2.168 2.149 2.190 . 0 0 "[ . 1 . 2]" 1
541 1 4 VAL HA 1 5 ARG H . . 3.290 2.226 2.162 2.273 . 0 0 "[ . 1 . 2]" 1
542 1 3 THR HA 1 19 GLU H . . 4.920 4.521 4.323 4.806 . 0 0 "[ . 1 . 2]" 1
543 1 6 TYR HA 1 11 ARG H . . 5.140 4.977 4.850 5.122 . 0 0 "[ . 1 . 2]" 1
544 1 69 LYS HA 1 70 GLY H . . 3.350 2.436 2.348 2.510 . 0 0 "[ . 1 . 2]" 1
545 1 38 TYR HA 1 39 GLY H . . 3.490 3.443 3.353 3.482 . 0 0 "[ . 1 . 2]" 1
546 1 27 ILE H 1 74 GLU HA . . 4.290 3.449 3.309 3.567 . 0 0 "[ . 1 . 2]" 1
547 1 19 GLU HA 1 20 THR H . . 2.960 2.390 2.309 2.399 . 0 0 "[ . 1 . 2]" 1
548 1 57 ILE HA 1 58 ILE H . . 3.100 2.147 2.140 2.154 . 0 0 "[ . 1 . 2]" 1
549 1 77 ASP HA 1 78 ASP H . . 3.500 3.471 3.431 3.489 . 0 0 "[ . 1 . 2]" 1
550 1 10 LEU HA 1 13 ILE H . . 4.300 3.351 3.309 3.396 . 0 0 "[ . 1 . 2]" 1
551 1 47 TYR HA 1 48 ASP H . . 3.200 2.175 2.147 2.306 . 0 0 "[ . 1 . 2]" 1
552 1 66 THR H 1 66 THR HB . . 3.810 3.610 3.605 3.616 . 0 0 "[ . 1 . 2]" 1
553 1 43 THR H 1 43 THR HB . . 3.410 2.773 2.678 2.878 . 0 0 "[ . 1 . 2]" 1
554 1 24 ILE HA 1 25 SER H . . 3.460 2.157 2.139 2.219 . 0 0 "[ . 1 . 2]" 1
555 1 24 ILE HA 1 26 LYS H . . 3.940 3.495 3.356 3.673 . 0 0 "[ . 1 . 2]" 1
556 1 11 ARG HA 1 16 LYS H . . 4.260 3.589 3.179 3.769 . 0 0 "[ . 1 . 2]" 1
557 1 67 SER H 1 67 SER QB . . 3.500 2.330 2.201 2.634 . 0 0 "[ . 1 . 2]" 1
558 1 54 LYS HA 1 56 VAL H . . 4.890 4.419 3.433 4.668 . 0 0 "[ . 1 . 2]" 1
559 1 20 THR HB 1 21 PHE H . . 3.800 2.660 2.401 2.894 . 0 0 "[ . 1 . 2]" 1
560 1 20 THR H 1 20 THR HB . . 3.900 3.571 3.516 3.629 . 0 0 "[ . 1 . 2]" 1
561 1 48 ASP H 1 52 LEU HA . . 4.440 4.133 3.399 4.467 0.027 11 0 "[ . 1 . 2]" 1
562 1 28 SER QB 1 30 LEU H . . 4.840 4.596 4.396 4.778 . 0 0 "[ . 1 . 2]" 1
563 1 9 THR HA 1 11 ARG H . . 4.090 3.817 3.784 3.876 . 0 0 "[ . 1 . 2]" 1
564 1 28 SER QB 1 72 ASP H . . 5.200 4.663 4.486 5.184 . 0 0 "[ . 1 . 2]" 1
565 1 72 ASP H 1 73 THR HB . . 5.500 5.033 4.903 5.203 . 0 0 "[ . 1 . 2]" 1
566 1 28 SER H 1 28 SER QB . . 2.810 2.228 2.137 2.780 . 0 0 "[ . 1 . 2]" 1
567 1 42 PHE HA 1 45 GLN H . . 4.380 3.519 3.379 3.642 . 0 0 "[ . 1 . 2]" 1
568 1 73 THR H 1 73 THR HB . . 3.300 2.581 2.490 2.725 . 0 0 "[ . 1 . 2]" 1
569 1 56 VAL HA 1 57 ILE H . . 3.200 2.242 2.204 2.295 . 0 0 "[ . 1 . 2]" 1
570 1 73 THR HA 1 74 GLU H . . 3.010 2.188 2.152 2.230 . 0 0 "[ . 1 . 2]" 1
571 1 15 LYS HA 1 16 LYS H . . 3.510 2.850 2.550 2.953 . 0 0 "[ . 1 . 2]" 1
572 1 11 ARG H 1 12 PRO QD . . 3.290 2.170 2.151 2.194 . 0 0 "[ . 1 . 2]" 1
573 1 10 LEU H 1 12 PRO QD . . 4.430 3.511 3.488 3.529 . 0 0 "[ . 1 . 2]" 1
574 1 12 PRO QD 1 15 LYS H . . 5.190 5.035 5.013 5.096 . 0 0 "[ . 1 . 2]" 1
575 1 53 PHE H 1 53 PHE HB2 . . 3.930 2.607 2.281 2.816 . 0 0 "[ . 1 . 2]" 1
576 1 42 PHE H 1 42 PHE HB2 . . 3.520 2.790 2.738 2.918 . 0 0 "[ . 1 . 2]" 1
577 1 42 PHE HB2 1 43 THR H . . 4.300 3.956 3.843 4.111 . 0 0 "[ . 1 . 2]" 1
578 1 14 THR HB 1 16 LYS H . . 3.980 3.162 2.700 4.019 0.039 12 0 "[ . 1 . 2]" 1
579 1 84 PHE H 1 84 PHE HB2 . . 3.940 2.428 2.358 2.502 . 0 0 "[ . 1 . 2]" 1
580 1 38 TYR HB2 1 42 PHE H . . 4.430 3.949 3.766 4.104 . 0 0 "[ . 1 . 2]" 1
581 1 76 LYS QE 1 77 ASP H . . 4.380 3.838 2.654 4.381 0.001 1 0 "[ . 1 . 2]" 1
582 1 57 ILE H 1 84 PHE HB3 . . 4.990 4.936 4.455 5.015 0.025 19 0 "[ . 1 . 2]" 1
583 1 72 ASP H 1 72 ASP HB2 . . 3.780 2.346 2.169 2.637 . 0 0 "[ . 1 . 2]" 1
584 1 42 PHE H 1 42 PHE HB3 . . 3.650 2.329 2.248 2.365 . 0 0 "[ . 1 . 2]" 1
585 1 42 PHE HB3 1 43 THR H . . 3.770 2.614 2.424 2.876 . 0 0 "[ . 1 . 2]" 1
586 1 51 ASN QB 1 52 LEU H . . 3.310 2.552 2.415 3.051 . 0 0 "[ . 1 . 2]" 1
587 1 6 TYR HB3 1 7 TYR H . . 4.380 3.299 3.149 3.442 . 0 0 "[ . 1 . 2]" 1
588 1 51 ASN H 1 51 ASN QB . . 3.200 2.577 2.345 3.064 . 0 0 "[ . 1 . 2]" 1
589 1 72 ASP H 1 72 ASP HB3 . . 3.780 3.193 2.588 3.654 . 0 0 "[ . 1 . 2]" 1
590 1 53 PHE H 1 53 PHE HB3 . . 3.930 2.720 2.277 3.589 . 0 0 "[ . 1 . 2]" 1
591 1 47 TYR HB2 1 48 ASP H . . 4.840 4.583 4.547 4.632 . 0 0 "[ . 1 . 2]" 1
592 1 1 MET H1 1 1 MET HG2 . . 3.990 2.850 2.263 4.034 0.044 19 0 "[ . 1 . 2]" 1
593 1 68 MET H 1 68 MET QG . . 4.340 4.114 3.986 4.229 . 0 0 "[ . 1 . 2]" 1
594 1 74 GLU H 1 74 GLU QG . . 4.210 3.114 2.364 4.099 . 0 0 "[ . 1 . 2]" 1
595 1 1 MET HG3 1 2 VAL H . . 4.420 3.736 3.123 4.250 . 0 0 "[ . 1 . 2]" 1
596 1 27 ILE HB 1 73 THR H . . 4.230 3.434 3.122 3.628 . 0 0 "[ . 1 . 2]" 1
597 1 32 GLU H 1 32 GLU QG . . 3.220 2.762 2.354 3.242 0.022 4 0 "[ . 1 . 2]" 1
598 1 45 GLN H 1 45 GLN HG3 . . 4.070 3.747 3.530 4.028 . 0 0 "[ . 1 . 2]" 1
599 1 38 TYR HB3 1 39 GLY H . . 4.370 4.060 3.949 4.221 . 0 0 "[ . 1 . 2]" 1
600 1 27 ILE H 1 27 ILE HB . . 3.520 2.488 2.387 2.554 . 0 0 "[ . 1 . 2]" 1
601 1 30 LEU HB3 1 31 LEU H . . 3.750 2.344 2.325 2.378 . 0 0 "[ . 1 . 2]" 1
602 1 29 GLU QG 1 30 LEU H . . 4.000 3.754 2.350 3.996 . 0 0 "[ . 1 . 2]" 1
603 1 79 ASP H 1 79 ASP QB . . 3.500 3.406 2.910 3.449 . 0 0 "[ . 1 . 2]" 1
604 1 79 ASP QB 1 80 LYS H . . 3.940 3.832 3.785 3.878 . 0 0 "[ . 1 . 2]" 1
605 1 59 LEU HB2 1 82 ASP H . . 4.330 3.347 3.167 3.591 . 0 0 "[ . 1 . 2]" 1
606 1 56 VAL H 1 56 VAL HB . . 3.000 2.304 2.236 2.432 . 0 0 "[ . 1 . 2]" 1
607 1 45 GLN H 1 45 GLN HG2 . . 3.950 2.738 2.541 2.961 . 0 0 "[ . 1 . 2]" 1
608 1 1 MET H1 1 1 MET HB2 . . 3.880 3.537 2.211 3.879 . 0 0 "[ . 1 . 2]" 1
609 1 10 LEU HB3 1 11 ARG H . . 4.040 2.805 2.742 2.877 . 0 0 "[ . 1 . 2]" 1
610 1 10 LEU H 1 10 LEU HB3 . . 3.470 2.695 2.448 2.958 . 0 0 "[ . 1 . 2]" 1
611 1 41 GLU QB 1 42 PHE H . . 3.740 2.591 2.431 2.739 . 0 0 "[ . 1 . 2]" 1
612 1 36 VAL HB 1 38 TYR H . . 4.970 4.957 4.928 4.993 0.023 4 0 "[ . 1 . 2]" 1
613 1 9 THR H 1 85 PRO HB3 . . 3.860 3.277 3.047 3.593 . 0 0 "[ . 1 . 2]" 1
614 1 68 MET QB 1 69 LYS H . . 3.660 1.937 1.917 1.970 . 0 0 "[ . 1 . 2]" 1
615 1 67 SER H 1 68 MET QB . . 4.240 4.082 3.911 4.319 0.079 10 0 "[ . 1 . 2]" 1
616 1 74 GLU H 1 74 GLU QB . . 3.020 2.550 2.326 2.691 . 0 0 "[ . 1 . 2]" 1
617 1 2 VAL HB 1 3 THR H . . 4.200 3.630 3.049 4.192 . 0 0 "[ . 1 . 2]" 1
618 1 74 GLU QB 1 75 ILE H . . 3.750 2.695 2.307 3.504 . 0 0 "[ . 1 . 2]" 1
619 1 2 VAL H 1 2 VAL HB . . 3.960 3.458 3.044 3.815 . 0 0 "[ . 1 . 2]" 1
620 1 26 LYS H 1 29 GLU QB . . 4.290 3.238 2.863 4.321 0.031 1 0 "[ . 1 . 2]" 1
621 1 32 GLU H 1 32 GLU QB . . 2.990 2.208 2.080 2.400 . 0 0 "[ . 1 . 2]" 1
622 1 87 VAL H 1 87 VAL HB . . 3.700 3.244 2.641 3.699 . 0 0 "[ . 1 . 2]" 1
623 1 31 LEU H 1 31 LEU QB . . 3.360 2.288 2.116 2.585 . 0 0 "[ . 1 . 2]" 1
624 1 26 LYS HB3 1 27 ILE H . . 3.870 2.669 2.566 2.745 . 0 0 "[ . 1 . 2]" 1
625 1 44 LYS H 1 44 LYS QB . . 2.870 2.340 2.240 2.598 . 0 0 "[ . 1 . 2]" 1
626 1 42 PHE H 1 45 GLN QB . . 4.730 4.563 4.447 4.652 . 0 0 "[ . 1 . 2]" 1
627 1 43 THR H 1 44 LYS QB . . 5.180 4.688 4.517 4.943 . 0 0 "[ . 1 . 2]" 1
628 1 43 THR H 1 45 GLN QB . . 5.500 4.835 4.553 5.026 . 0 0 "[ . 1 . 2]" 1
629 1 26 LYS HB3 1 28 SER H . . 3.620 3.075 2.888 3.187 . 0 0 "[ . 1 . 2]" 1
630 1 45 GLN H 1 45 GLN QB . . 3.140 2.238 2.175 2.296 . 0 0 "[ . 1 . 2]" 1
631 1 61 ASN H 1 80 LYS HB3 . . 4.140 3.553 3.296 3.924 . 0 0 "[ . 1 . 2]" 1
632 1 79 ASP H 1 80 LYS HB3 . . 4.990 4.783 4.693 5.000 0.010 14 0 "[ . 1 . 2]" 1
633 1 60 VAL H 1 60 VAL HB . . 3.640 2.878 2.476 3.691 0.051 19 0 "[ . 1 . 2]" 1
634 1 4 VAL H 1 4 VAL HB . . 3.710 3.045 2.534 3.732 0.022 10 0 "[ . 1 . 2]" 1
635 1 13 ILE H 1 13 ILE HB . . 3.260 2.314 2.249 2.379 . 0 0 "[ . 1 . 2]" 1
636 1 13 ILE HB 1 14 THR H . . 3.640 2.869 2.572 2.962 . 0 0 "[ . 1 . 2]" 1
637 1 83 LEU H 1 83 LEU HB2 . . 4.020 2.395 2.292 2.630 . 0 0 "[ . 1 . 2]" 1
638 1 6 TYR H 1 18 GLU QB . . 4.770 4.491 4.091 4.769 . 0 0 "[ . 1 . 2]" 1
639 1 24 ILE H 1 24 ILE HB . . 3.460 2.535 2.493 2.705 . 0 0 "[ . 1 . 2]" 1
640 1 11 ARG H 1 11 ARG QB . . 3.610 2.058 2.051 2.106 . 0 0 "[ . 1 . 2]" 1
641 1 10 LEU H 1 11 ARG QB . . 4.490 4.272 4.235 4.338 . 0 0 "[ . 1 . 2]" 1
642 1 27 ILE HG13 1 73 THR H . . 5.010 4.585 4.258 4.897 . 0 0 "[ . 1 . 2]" 1
643 1 69 LYS QD 1 73 THR H . . 5.410 5.035 4.050 5.413 0.003 7 0 "[ . 1 . 2]" 1
644 1 69 LYS QD 1 70 GLY H . . 4.620 4.342 3.850 4.629 0.009 5 0 "[ . 1 . 2]" 1
645 1 59 LEU H 1 59 LEU HG . . 3.730 3.103 2.916 3.344 . 0 0 "[ . 1 . 2]" 1
646 1 11 ARG QB 1 16 LYS H . . 5.290 4.876 4.264 5.108 . 0 0 "[ . 1 . 2]" 1
647 1 76 LYS QB 1 77 ASP H . . 3.120 2.188 2.148 2.232 . 0 0 "[ . 1 . 2]" 1
648 1 8 ALA MB 1 9 THR H . . 3.210 1.895 1.853 1.966 . 0 0 "[ . 1 . 2]" 1
649 1 13 ILE HG13 1 14 THR H . . 4.780 4.606 4.536 4.687 . 0 0 "[ . 1 . 2]" 1
650 1 26 LYS HB2 1 29 GLU H . . 3.930 2.608 2.395 2.688 . 0 0 "[ . 1 . 2]" 1
651 1 83 LEU H 1 83 LEU HG . . 4.500 3.823 3.155 4.584 0.084 1 0 "[ . 1 . 2]" 1
652 1 15 LYS H 1 16 LYS QD . . 5.260 4.915 4.465 5.337 0.077 16 0 "[ . 1 . 2]" 1
653 1 26 LYS H 1 26 LYS HB2 . . 4.000 2.854 2.688 2.915 . 0 0 "[ . 1 . 2]" 1
654 1 46 MET QB 1 47 TYR H . . 3.820 2.805 2.746 2.851 . 0 0 "[ . 1 . 2]" 1
655 1 43 THR H 1 44 LYS QG . . 4.850 4.554 3.733 4.825 . 0 0 "[ . 1 . 2]" 1
656 1 61 ASN H 1 80 LYS QG . . 4.660 4.109 3.660 4.670 0.010 2 0 "[ . 1 . 2]" 1
657 1 80 LYS H 1 80 LYS HB2 . . 3.490 3.412 3.329 3.456 . 0 0 "[ . 1 . 2]" 1
658 1 73 THR MG 1 74 GLU H . . 3.280 2.171 1.998 2.395 . 0 0 "[ . 1 . 2]" 1
659 1 27 ILE H 1 27 ILE HG12 . . 3.480 2.229 2.099 2.426 . 0 0 "[ . 1 . 2]" 1
660 1 69 LYS H 1 73 THR MG . . 3.760 3.477 3.075 3.745 . 0 0 "[ . 1 . 2]" 1
661 1 83 LEU H 1 83 LEU HB3 . . 4.020 3.527 2.879 3.673 . 0 0 "[ . 1 . 2]" 1
662 1 3 THR H 1 80 LYS HB2 . . 4.300 4.296 4.137 4.342 0.042 19 0 "[ . 1 . 2]" 1
663 1 73 THR H 1 73 THR MG . . 3.930 3.763 3.749 3.766 . 0 0 "[ . 1 . 2]" 1
664 1 69 LYS QG 1 70 GLY H . . 3.950 2.339 1.967 2.666 . 0 0 "[ . 1 . 2]" 1
665 1 26 LYS QG 1 29 GLU H . . 4.620 4.303 4.059 4.406 . 0 0 "[ . 1 . 2]" 1
666 1 69 LYS H 1 69 LYS QG . . 4.900 4.181 4.084 4.244 . 0 0 "[ . 1 . 2]" 1
667 1 30 LEU HG 1 31 LEU H . . 4.730 4.708 4.657 4.746 0.016 17 0 "[ . 1 . 2]" 1
668 1 11 ARG QG 1 16 LYS H . . 4.400 4.325 3.973 4.419 0.019 17 0 "[ . 1 . 2]" 1
669 1 52 LEU QB 1 53 PHE H . . 3.320 2.244 2.045 2.700 . 0 0 "[ . 1 . 2]" 1
670 1 56 VAL H 1 56 VAL MG1 . . 3.250 2.606 2.423 2.728 . 0 0 "[ . 1 . 2]" 1
671 1 9 THR H 1 9 THR MG . . 3.360 2.353 1.952 2.677 . 0 0 "[ . 1 . 2]" 1
672 1 46 MET H 1 52 LEU QB . . 5.500 5.407 4.658 5.571 0.071 8 0 "[ . 1 . 2]" 1
673 1 10 LEU H 1 10 LEU HB2 . . 3.660 2.345 2.141 2.570 . 0 0 "[ . 1 . 2]" 1
674 1 7 TYR H 1 10 LEU HB2 . . 5.180 4.988 4.620 5.230 0.050 2 0 "[ . 1 . 2]" 1
675 1 66 THR MG 1 67 SER H . . 4.110 3.899 3.850 3.965 . 0 0 "[ . 1 . 2]" 1
676 1 30 LEU H 1 30 LEU HB2 . . 3.580 2.384 2.235 2.560 . 0 0 "[ . 1 . 2]" 1
677 1 24 ILE H 1 24 ILE HG12 . . 3.950 3.851 3.340 3.968 0.018 17 0 "[ . 1 . 2]" 1
678 1 30 LEU HB2 1 31 LEU H . . 4.180 3.643 3.526 3.776 . 0 0 "[ . 1 . 2]" 1
679 1 4 VAL H 1 20 THR MG . . 4.310 4.004 3.744 4.240 . 0 0 "[ . 1 . 2]" 1
680 1 20 THR MG 1 21 PHE H . . 3.800 3.200 3.006 3.365 . 0 0 "[ . 1 . 2]" 1
681 1 20 THR H 1 20 THR MG . . 3.620 3.276 3.036 3.472 . 0 0 "[ . 1 . 2]" 1
682 1 43 THR H 1 43 THR MG . . 3.980 3.736 3.697 3.770 . 0 0 "[ . 1 . 2]" 1
683 1 65 ILE H 1 65 ILE MG . . 3.560 2.249 2.100 2.377 . 0 0 "[ . 1 . 2]" 1
684 1 24 ILE H 1 24 ILE HG13 . . 3.950 2.447 1.995 2.672 . 0 0 "[ . 1 . 2]" 1
685 1 36 VAL H 1 36 VAL MG2 . . 3.090 2.323 2.174 2.461 . 0 0 "[ . 1 . 2]" 1
686 1 58 ILE H 1 58 ILE HG13 . . 3.880 3.697 3.663 3.719 . 0 0 "[ . 1 . 2]" 1
687 1 53 PHE H 1 56 VAL MG2 . . 5.250 5.181 4.611 5.288 0.038 1 0 "[ . 1 . 2]" 1
688 1 3 THR H 1 3 THR MG . . 3.890 3.671 3.135 3.840 . 0 0 "[ . 1 . 2]" 1
689 1 56 VAL H 1 56 VAL MG2 . . 3.820 3.686 3.638 3.752 . 0 0 "[ . 1 . 2]" 1
690 1 4 VAL MG1 1 5 ARG H . . 4.090 3.239 2.130 3.993 . 0 0 "[ . 1 . 2]" 1
691 1 31 LEU H 1 31 LEU HG . . 3.960 3.261 1.947 4.061 0.101 18 0 "[ . 1 . 2]" 1
692 1 27 ILE MG 1 28 SER H . . 3.500 3.381 3.156 3.502 0.002 10 0 "[ . 1 . 2]" 1
693 1 59 LEU H 1 59 LEU HB3 . . 3.870 3.638 3.608 3.701 . 0 0 "[ . 1 . 2]" 1
694 1 36 VAL H 1 36 VAL MG1 . . 3.820 3.767 3.751 3.776 . 0 0 "[ . 1 . 2]" 1
695 1 36 VAL MG1 1 37 GLU H . . 3.650 3.136 2.980 3.323 . 0 0 "[ . 1 . 2]" 1
696 1 13 ILE MG 1 42 PHE H . . 4.240 3.781 3.663 3.994 . 0 0 "[ . 1 . 2]" 1
697 1 13 ILE MD 1 42 PHE H . . 4.750 4.364 4.090 4.662 . 0 0 "[ . 1 . 2]" 1
698 1 13 ILE H 1 13 ILE MG . . 4.040 3.671 3.607 3.718 . 0 0 "[ . 1 . 2]" 1
699 1 13 ILE H 1 13 ILE MD . . 4.340 3.652 3.610 3.684 . 0 0 "[ . 1 . 2]" 1
700 1 36 VAL MG1 1 38 TYR H . . 5.180 5.033 4.900 5.140 . 0 0 "[ . 1 . 2]" 1
701 1 13 ILE MG 1 14 THR H . . 3.560 3.201 2.748 3.466 . 0 0 "[ . 1 . 2]" 1
702 1 61 ASN H 1 75 ILE MG . . 3.850 2.918 2.745 3.124 . 0 0 "[ . 1 . 2]" 1
703 1 75 ILE MG 1 80 LYS H . . 3.700 2.255 1.938 2.380 . 0 0 "[ . 1 . 2]" 1
704 1 13 ILE MD 1 45 GLN H . . 4.240 4.046 3.792 4.255 0.015 14 0 "[ . 1 . 2]" 1
705 1 65 ILE H 1 65 ILE MD . . 3.790 3.654 3.617 3.685 . 0 0 "[ . 1 . 2]" 1
706 1 24 ILE MG 1 29 GLU H . . 4.440 4.134 3.872 4.442 0.002 3 0 "[ . 1 . 2]" 1
707 1 58 ILE MG 1 84 PHE H . . 3.880 3.505 3.098 3.755 . 0 0 "[ . 1 . 2]" 1
708 1 24 ILE MG 1 25 SER H . . 3.740 2.500 2.097 2.897 . 0 0 "[ . 1 . 2]" 1
709 1 65 ILE MD 1 66 THR H . . 4.170 3.968 3.914 4.052 . 0 0 "[ . 1 . 2]" 1
710 1 75 ILE H 1 75 ILE QG . . 3.560 2.232 2.076 2.334 . 0 0 "[ . 1 . 2]" 1
711 1 24 ILE MG 1 26 LYS H . . 3.280 2.271 1.928 2.927 . 0 0 "[ . 1 . 2]" 1
712 1 65 ILE MD 1 70 GLY H . . 5.500 4.983 4.755 5.167 . 0 0 "[ . 1 . 2]" 1
713 1 57 ILE H 1 57 ILE MG . . 4.150 1.940 1.894 1.991 . 0 0 "[ . 1 . 2]" 1
714 1 58 ILE H 1 58 ILE MD . . 3.270 2.102 2.065 2.149 . 0 0 "[ . 1 . 2]" 1
715 1 81 ILE MG 1 82 ASP H . . 3.380 2.280 2.011 2.361 . 0 0 "[ . 1 . 2]" 1
716 1 52 LEU MD1 1 53 PHE H . . 4.660 3.120 2.278 4.703 0.043 6 0 "[ . 1 . 2]" 1
717 1 56 VAL H 1 58 ILE MD . . 5.500 5.091 4.660 5.284 . 0 0 "[ . 1 . 2]" 1
718 1 4 VAL MG2 1 5 ARG H . . 4.090 3.197 2.193 3.973 . 0 0 "[ . 1 . 2]" 1
719 1 52 LEU H 1 52 LEU MD1 . . 4.650 4.170 3.918 4.657 0.007 6 0 "[ . 1 . 2]" 1
720 1 27 ILE MD 1 60 VAL H . . 4.560 4.479 4.289 4.598 0.038 1 0 "[ . 1 . 2]" 1
721 1 57 ILE H 1 57 ILE MD . . 4.920 4.588 4.262 4.760 . 0 0 "[ . 1 . 2]" 1
722 1 75 ILE H 1 75 ILE MD . . 4.160 3.789 3.682 3.860 . 0 0 "[ . 1 . 2]" 1
723 1 26 LYS H 1 75 ILE MD . . 4.090 4.028 3.797 4.106 0.016 14 0 "[ . 1 . 2]" 1
724 1 24 ILE H 1 24 ILE MD . . 4.050 3.315 2.958 3.892 . 0 0 "[ . 1 . 2]" 1
725 1 52 LEU H 1 52 LEU MD2 . . 4.650 4.268 3.715 4.620 . 0 0 "[ . 1 . 2]" 1
726 1 52 LEU MD2 1 53 PHE H . . 4.660 3.928 2.874 4.399 . 0 0 "[ . 1 . 2]" 1
727 1 34 LEU HB3 1 35 LYS H . . 4.250 3.397 2.928 3.609 . 0 0 "[ . 1 . 2]" 1
728 1 3 THR H 1 80 LYS HA . . 4.390 3.022 2.766 3.230 . 0 0 "[ . 1 . 2]" 1
729 1 4 VAL HA 1 81 ILE H . . 3.850 2.528 2.300 2.725 . 0 0 "[ . 1 . 2]" 1
730 1 5 ARG H 1 82 ASP HA . . 4.200 2.654 2.583 2.989 . 0 0 "[ . 1 . 2]" 1
731 1 6 TYR HA 1 83 LEU H . . 4.340 3.452 3.148 3.696 . 0 0 "[ . 1 . 2]" 1
732 1 7 TYR H 1 84 PHE HA . . 5.190 3.901 3.758 4.089 . 0 0 "[ . 1 . 2]" 1
733 1 4 VAL H 1 20 THR HA . . 4.080 3.240 3.034 3.493 . 0 0 "[ . 1 . 2]" 1
734 1 5 ARG HA 1 19 GLU H . . 4.160 3.955 3.698 4.165 0.005 19 0 "[ . 1 . 2]" 1
735 1 2 VAL H 1 21 PHE H . . 4.020 2.447 2.268 2.760 . 0 0 "[ . 1 . 2]" 1
736 1 61 ASN H 1 80 LYS H . . 4.460 3.201 2.969 3.369 . 0 0 "[ . 1 . 2]" 1
737 1 60 VAL HA 1 82 ASP H . . 4.840 4.082 3.749 4.257 . 0 0 "[ . 1 . 2]" 1
738 1 57 ILE H 1 84 PHE H . . 4.730 4.022 3.833 4.200 . 0 0 "[ . 1 . 2]" 1
739 1 27 ILE H 1 73 THR H . . 4.630 4.307 4.140 4.582 . 0 0 "[ . 1 . 2]" 1
740 1 75 ILE H 1 76 LYS H . . 4.570 4.540 4.516 4.580 0.010 9 0 "[ . 1 . 2]" 1
741 1 27 ILE H 1 75 ILE H . . 5.300 5.044 4.545 5.319 0.019 1 0 "[ . 1 . 2]" 1
742 1 29 GLU HA 1 32 GLU H . . 3.760 3.652 3.401 3.773 0.013 9 0 "[ . 1 . 2]" 1
743 1 29 GLU HA 1 33 ARG H . . 4.490 4.257 3.589 4.495 0.005 8 0 "[ . 1 . 2]" 1
744 1 31 LEU HA 1 34 LEU H . . 4.010 3.509 3.265 3.955 . 0 0 "[ . 1 . 2]" 1
745 1 32 GLU HA 1 35 LYS H . . 4.020 3.621 3.525 3.815 . 0 0 "[ . 1 . 2]" 1
746 1 33 ARG HA 1 37 GLU H . . 4.610 3.630 3.465 3.995 . 0 0 "[ . 1 . 2]" 1
747 1 42 PHE HA 1 46 MET H . . 4.920 4.260 4.125 4.373 . 0 0 "[ . 1 . 2]" 1
748 1 43 THR HA 1 46 MET H . . 4.560 3.687 3.397 3.797 . 0 0 "[ . 1 . 2]" 1
749 1 65 ILE HA 1 68 MET H . . 4.300 3.962 3.636 4.347 0.047 17 0 "[ . 1 . 2]" 1
750 1 65 ILE HA 1 69 LYS H . . 4.930 3.434 3.084 3.808 . 0 0 "[ . 1 . 2]" 1
751 1 7 TYR QD 1 83 LEU H . . 3.880 3.043 2.840 3.295 . 0 0 "[ . 1 . 2]" 1
752 1 82 ASP HA 1 83 LEU H . . 3.330 2.173 2.168 2.197 . 0 0 "[ . 1 . 2]" 1
753 1 67 SER H 1 68 MET H . . 3.610 2.781 2.558 3.019 . 0 0 "[ . 1 . 2]" 1
754 1 38 TYR H 1 38 TYR QD . . 3.710 3.158 3.115 3.194 . 0 0 "[ . 1 . 2]" 1
755 1 68 MET QG 1 69 LYS H . . 3.650 2.343 2.288 2.405 . 0 0 "[ . 1 . 2]" 1
756 1 86 PRO HA 1 87 VAL H . . 2.980 2.362 2.169 2.587 . 0 0 "[ . 1 . 2]" 1
757 1 13 ILE H 1 13 ILE HG12 . . 4.450 4.122 4.048 4.248 . 0 0 "[ . 1 . 2]" 1
758 1 46 MET H 1 46 MET QB . . 3.390 2.276 2.197 2.353 . 0 0 "[ . 1 . 2]" 1
759 1 21 PHE HA 1 22 ASN H . . 2.850 2.400 2.354 2.406 . 0 0 "[ . 1 . 2]" 1
760 1 3 THR HA 1 4 VAL H . . 3.190 2.158 2.142 2.177 . 0 0 "[ . 1 . 2]" 1
761 1 1 MET HA 1 2 VAL H . . 3.220 2.446 2.281 2.606 . 0 0 "[ . 1 . 2]" 1
762 1 6 TYR HA 1 7 TYR H . . 3.320 2.156 2.140 2.179 . 0 0 "[ . 1 . 2]" 1
763 1 66 THR H 1 67 SER H . . 4.100 2.726 2.709 2.738 . 0 0 "[ . 1 . 2]" 1
764 1 33 ARG H 1 35 LYS H . . 4.540 4.372 4.210 4.496 . 0 0 "[ . 1 . 2]" 1
765 1 46 MET H 1 47 TYR QD . . 4.180 4.082 3.874 4.191 0.011 19 0 "[ . 1 . 2]" 1
766 1 29 GLU H 1 31 LEU H . . 4.700 4.481 4.434 4.567 . 0 0 "[ . 1 . 2]" 1
767 1 1 MET H1 1 1 MET HG3 . . 4.350 3.976 3.748 4.088 . 0 0 "[ . 1 . 2]" 1
768 1 1 MET H1 1 2 VAL H . . 4.790 4.517 4.413 4.649 . 0 0 "[ . 1 . 2]" 1
769 1 2 VAL H 1 3 THR H . . 5.150 4.386 4.301 4.414 . 0 0 "[ . 1 . 2]" 1
770 1 3 THR H 1 4 VAL H . . 5.300 4.430 4.332 4.536 . 0 0 "[ . 1 . 2]" 1
771 1 4 VAL H 1 5 ARG H . . 5.230 4.477 4.318 4.540 . 0 0 "[ . 1 . 2]" 1
772 1 5 ARG H 1 6 TYR H . . 4.860 4.507 4.490 4.519 . 0 0 "[ . 1 . 2]" 1
773 1 20 THR H 1 21 PHE H . . 4.840 4.518 4.462 4.551 . 0 0 "[ . 1 . 2]" 1
774 1 81 ILE H 1 82 ASP H . . 4.580 4.418 4.399 4.424 . 0 0 "[ . 1 . 2]" 1
775 1 80 LYS H 1 81 ILE H . . 4.600 4.130 4.083 4.198 . 0 0 "[ . 1 . 2]" 1
776 1 76 LYS H 1 77 ASP H . . 4.600 4.553 4.542 4.565 . 0 0 "[ . 1 . 2]" 1
777 1 58 ILE H 1 59 LEU H . . 4.650 4.396 4.339 4.419 . 0 0 "[ . 1 . 2]" 1
778 1 57 ILE H 1 58 ILE H . . 5.210 4.166 4.073 4.250 . 0 0 "[ . 1 . 2]" 1
779 1 56 VAL H 1 57 ILE H . . 5.040 4.627 4.611 4.643 . 0 0 "[ . 1 . 2]" 1
780 1 52 LEU H 1 53 PHE H . . 4.810 2.288 1.965 2.697 . 0 0 "[ . 1 . 2]" 1
781 1 51 ASN H 1 52 LEU H . . 4.510 4.488 4.324 4.507 . 0 0 "[ . 1 . 2]" 1
782 1 45 GLN H 1 46 MET H . . 3.440 2.572 2.323 2.640 . 0 0 "[ . 1 . 2]" 1
783 1 3 THR HB 1 4 VAL H . . 4.910 3.925 3.271 4.320 . 0 0 "[ . 1 . 2]" 1
784 1 4 VAL HB 1 5 ARG H . . 4.200 3.753 2.861 4.129 . 0 0 "[ . 1 . 2]" 1
785 1 7 TYR HB3 1 8 ALA H . . 5.050 3.623 3.535 3.686 . 0 0 "[ . 1 . 2]" 1
786 1 14 THR HB 1 15 LYS H . . 4.610 3.562 3.271 4.029 . 0 0 "[ . 1 . 2]" 1
787 1 18 GLU H 1 18 GLU QB . . 3.280 2.731 2.545 2.792 . 0 0 "[ . 1 . 2]" 1
788 1 18 GLU QB 1 19 GLU H . . 3.740 3.510 3.335 3.564 . 0 0 "[ . 1 . 2]" 1
789 1 19 GLU QB 1 20 THR H . . 3.710 2.830 2.407 3.213 . 0 0 "[ . 1 . 2]" 1
790 1 24 ILE HB 1 25 SER H . . 5.040 4.179 3.969 4.305 . 0 0 "[ . 1 . 2]" 1
791 1 25 SER H 1 26 LYS QD . . 5.500 4.823 4.553 5.153 . 0 0 "[ . 1 . 2]" 1
792 1 27 ILE H 1 27 ILE MD . . 3.890 3.275 3.116 3.587 . 0 0 "[ . 1 . 2]" 1
793 1 27 ILE H 1 27 ILE MG . . 3.880 3.758 3.731 3.765 . 0 0 "[ . 1 . 2]" 1
794 1 27 ILE MD 1 28 SER H . . 4.760 4.629 4.605 4.691 . 0 0 "[ . 1 . 2]" 1
795 1 28 SER QB 1 29 GLU H . . 3.760 2.577 2.272 2.985 . 0 0 "[ . 1 . 2]" 1
796 1 30 LEU H 1 31 LEU QB . . 5.040 4.519 4.367 4.813 . 0 0 "[ . 1 . 2]" 1
797 1 31 LEU QB 1 32 GLU H . . 3.640 2.504 2.304 2.836 . 0 0 "[ . 1 . 2]" 1
798 1 32 GLU QB 1 33 ARG H . . 3.680 2.823 2.427 3.441 . 0 0 "[ . 1 . 2]" 1
799 1 35 LYS HB3 1 36 VAL H . . 4.290 3.014 2.681 3.818 . 0 0 "[ . 1 . 2]" 1
800 1 35 LYS HB2 1 36 VAL H . . 4.290 3.694 2.633 4.095 . 0 0 "[ . 1 . 2]" 1
801 1 35 LYS H 1 35 LYS QG . . 4.030 3.467 1.936 4.028 . 0 0 "[ . 1 . 2]" 1
802 1 35 LYS QG 1 36 VAL H . . 4.080 3.693 3.339 4.045 . 0 0 "[ . 1 . 2]" 1
803 1 33 ARG QB 1 34 LEU H . . 3.980 2.754 2.370 2.898 . 0 0 "[ . 1 . 2]" 1
804 1 38 TYR HB2 1 39 GLY H . . 4.530 3.058 2.907 3.340 . 0 0 "[ . 1 . 2]" 1
805 1 43 THR HB 1 44 LYS H . . 3.090 2.550 2.426 2.647 . 0 0 "[ . 1 . 2]" 1
806 1 45 GLN HG3 1 46 MET H . . 5.500 5.360 5.278 5.449 . 0 0 "[ . 1 . 2]" 1
807 1 45 GLN HG2 1 46 MET H . . 5.330 4.774 4.688 4.889 . 0 0 "[ . 1 . 2]" 1
808 1 56 VAL HB 1 57 ILE H . . 4.660 4.134 4.044 4.195 . 0 0 "[ . 1 . 2]" 1
809 1 56 VAL MG2 1 57 ILE H . . 3.650 2.217 1.989 2.396 . 0 0 "[ . 1 . 2]" 1
810 1 58 ILE H 1 58 ILE HG12 . . 3.880 2.281 2.208 2.330 . 0 0 "[ . 1 . 2]" 1
811 1 57 ILE MD 1 58 ILE H . . 4.840 3.911 2.319 4.597 . 0 0 "[ . 1 . 2]" 1
812 1 76 LYS QB 1 78 ASP H . . 4.400 2.416 2.331 2.496 . 0 0 "[ . 1 . 2]" 1
813 1 59 LEU HB3 1 60 VAL H . . 3.750 3.359 2.924 3.420 . 0 0 "[ . 1 . 2]" 1
814 1 64 ASN HB2 1 65 ILE H . . 4.840 3.698 3.085 4.480 . 0 0 "[ . 1 . 2]" 1
815 1 64 ASN HB3 1 65 ILE H . . 4.840 3.900 3.234 4.200 . 0 0 "[ . 1 . 2]" 1
816 1 65 ILE HB 1 66 THR H . . 4.540 3.972 3.838 4.042 . 0 0 "[ . 1 . 2]" 1
817 1 65 ILE MG 1 66 THR H . . 4.450 3.895 3.845 3.998 . 0 0 "[ . 1 . 2]" 1
818 1 66 THR HB 1 67 SER H . . 4.280 4.023 3.966 4.060 . 0 0 "[ . 1 . 2]" 1
819 1 66 THR HA 1 68 MET H . . 4.240 3.553 3.456 3.730 . 0 0 "[ . 1 . 2]" 1
820 1 67 SER QB 1 68 MET H . . 4.620 3.658 3.274 4.053 . 0 0 "[ . 1 . 2]" 1
821 1 75 ILE MD 1 76 LYS H . . 4.770 4.766 4.744 4.785 0.015 13 0 "[ . 1 . 2]" 1
822 1 75 ILE HB 1 76 LYS H . . 3.630 3.598 3.476 3.644 0.014 16 0 "[ . 1 . 2]" 1
823 1 76 LYS H 1 76 LYS QB . . 3.350 2.205 2.158 2.274 . 0 0 "[ . 1 . 2]" 1
824 1 76 LYS HA 1 77 ASP H . . 3.120 2.522 2.519 2.534 . 0 0 "[ . 1 . 2]" 1
825 1 79 ASP HA 1 80 LYS H . . 2.910 2.347 2.294 2.408 . 0 0 "[ . 1 . 2]" 1
826 1 80 LYS QG 1 81 ILE H . . 3.690 2.828 2.655 2.952 . 0 0 "[ . 1 . 2]" 1
827 1 4 VAL HB 1 81 ILE H . . 5.030 4.651 3.959 5.188 0.158 20 0 "[ . 1 . 2]" 1
828 1 80 LYS HB3 1 81 ILE H . . 5.290 4.298 4.229 4.353 . 0 0 "[ . 1 . 2]" 1
829 1 81 ILE H 1 81 ILE HB . . 3.740 2.680 2.669 2.731 . 0 0 "[ . 1 . 2]" 1
830 1 81 ILE HB 1 82 ASP H . . 4.680 4.001 3.936 4.058 . 0 0 "[ . 1 . 2]" 1
831 1 82 ASP QB 1 83 LEU H . . 4.480 3.066 2.958 3.100 . 0 0 "[ . 1 . 2]" 1
832 1 6 TYR H 1 7 TYR H . . 5.500 4.338 4.286 4.426 . 0 0 "[ . 1 . 2]" 1
833 1 7 TYR H 1 8 ALA H . . 5.500 1.904 1.877 1.952 . 0 0 "[ . 1 . 2]" 1
834 1 87 VAL H 1 88 ALA H . . 5.500 3.690 2.555 4.620 . 0 0 "[ . 1 . 2]" 1
835 1 57 ILE H 1 84 PHE HB2 . . 4.570 4.513 4.035 4.609 0.039 9 0 "[ . 1 . 2]" 1
836 1 38 TYR H 1 38 TYR HB2 . . 4.060 2.544 2.439 2.599 . 0 0 "[ . 1 . 2]" 1
837 1 38 TYR H 1 38 TYR HB3 . . 4.010 3.609 3.593 3.616 . 0 0 "[ . 1 . 2]" 1
838 1 38 TYR HB3 1 42 PHE H . . 4.040 3.768 3.599 3.852 . 0 0 "[ . 1 . 2]" 1
839 1 34 LEU HA 1 38 TYR H . . 4.100 3.431 3.277 3.675 . 0 0 "[ . 1 . 2]" 1
840 1 76 LYS H 1 76 LYS HG2 . . 4.180 3.025 2.805 3.312 . 0 0 "[ . 1 . 2]" 1
841 1 76 LYS H 1 76 LYS HG3 . . 4.180 3.950 3.717 4.068 . 0 0 "[ . 1 . 2]" 1
842 1 76 LYS HG2 1 77 ASP H . . 4.730 4.370 4.034 4.540 . 0 0 "[ . 1 . 2]" 1
843 1 76 LYS HG3 1 77 ASP H . . 4.730 4.405 4.274 4.595 . 0 0 "[ . 1 . 2]" 1
844 1 1 MET H1 1 1 MET HB3 . . 3.880 3.039 2.314 3.545 . 0 0 "[ . 1 . 2]" 1
845 1 7 TYR H 1 11 ARG HA . . 5.500 5.486 5.353 5.540 0.040 11 0 "[ . 1 . 2]" 1
846 1 7 TYR H 1 11 ARG QB . . 4.930 4.625 4.462 4.759 . 0 0 "[ . 1 . 2]" 1
847 1 13 ILE H 1 16 LYS H . . 5.290 5.185 5.036 5.312 0.022 11 0 "[ . 1 . 2]" 1
848 1 1 MET H1 1 1 MET QB . . 3.340 2.746 2.189 3.115 . 0 0 "[ . 1 . 2]" 1
849 1 1 MET HA 1 2 VAL QG . . 4.230 3.503 3.182 3.874 . 0 0 "[ . 1 . 2]" 1
850 1 1 MET QB 1 20 THR HA . . 4.620 4.369 3.930 4.625 0.005 15 0 "[ . 1 . 2]" 1
851 1 1 MET QB 1 20 THR HB . . 3.610 2.772 2.291 3.091 . 0 0 "[ . 1 . 2]" 1
852 1 1 MET QB 1 20 THR MG . . 3.260 3.005 2.089 3.260 . 0 0 "[ . 1 . 2]" 1
853 1 1 MET QB 1 21 PHE H . . 4.310 3.132 2.534 3.734 . 0 0 "[ . 1 . 2]" 1
854 1 2 VAL H 1 2 VAL QG . . 3.970 2.016 1.917 2.091 . 0 0 "[ . 1 . 2]" 1
855 1 2 VAL QG 1 3 THR H . . 3.500 2.919 2.095 3.500 . 0 0 "[ . 1 . 2]" 1
856 1 2 VAL QG 1 20 THR MG . . 4.900 4.102 3.848 4.355 . 0 0 "[ . 1 . 2]" 1
857 1 2 VAL QG 1 21 PHE H . . 4.180 2.446 2.163 2.764 . 0 0 "[ . 1 . 2]" 1
858 1 2 VAL QG 1 21 PHE HA . . 4.310 3.893 3.720 4.192 . 0 0 "[ . 1 . 2]" 1
859 1 2 VAL QG 1 21 PHE QB . . 4.570 1.981 1.879 2.192 . 0 0 "[ . 1 . 2]" 1
860 1 2 VAL QG 1 21 PHE QD . . 4.130 2.972 2.651 3.598 . 0 0 "[ . 1 . 2]" 1
861 1 2 VAL QG 1 80 LYS HA . . 4.820 3.691 2.519 4.667 . 0 0 "[ . 1 . 2]" 1
862 1 4 VAL HA 1 4 VAL QG . . 2.700 2.202 2.065 2.335 . 0 0 "[ . 1 . 2]" 1
863 1 4 VAL HA 1 30 LEU QD . . 5.210 4.940 4.512 5.222 0.012 17 0 "[ . 1 . 2]" 1
864 1 4 VAL QG 1 5 ARG H . . 3.580 2.480 2.122 3.421 . 0 0 "[ . 1 . 2]" 1
865 1 4 VAL QG 1 6 TYR QD . . 3.980 3.068 2.712 3.989 0.009 10 0 "[ . 1 . 2]" 1
866 1 4 VAL QG 1 6 TYR QE . . 3.240 2.119 1.810 2.682 . 0 0 "[ . 1 . 2]" 1
867 1 4 VAL QG 1 30 LEU QD . . 3.050 2.564 2.152 3.063 0.013 1 0 "[ . 1 . 2]" 1
868 1 4 VAL QG 1 34 LEU QD . . 4.070 2.667 2.301 3.124 . 0 0 "[ . 1 . 2]" 1
869 1 4 VAL QG 1 81 ILE H . . 4.010 3.379 2.724 4.020 0.010 12 0 "[ . 1 . 2]" 1
870 1 4 VAL QG 1 81 ILE HB . . 3.310 2.261 1.811 2.728 . 0 0 "[ . 1 . 2]" 1
871 1 4 VAL QG 1 82 ASP H . . 5.440 4.533 3.946 5.334 . 0 0 "[ . 1 . 2]" 1
872 1 4 VAL QG 1 82 ASP HA . . 5.280 3.848 3.320 5.032 . 0 0 "[ . 1 . 2]" 1
873 1 6 TYR HA 1 10 LEU QD . . 3.650 3.432 3.068 3.703 0.053 18 0 "[ . 1 . 2]" 1
874 1 6 TYR HA 1 83 LEU QB . . 3.380 2.486 2.329 2.712 . 0 0 "[ . 1 . 2]" 1
875 1 6 TYR HA 1 83 LEU QD . . 3.960 3.548 3.123 3.986 0.026 13 0 "[ . 1 . 2]" 1
876 1 6 TYR HB2 1 10 LEU QD . . 4.490 3.835 3.406 4.353 . 0 0 "[ . 1 . 2]" 1
877 1 6 TYR HB3 1 10 LEU QD . . 4.080 2.751 2.511 3.107 . 0 0 "[ . 1 . 2]" 1
878 1 6 TYR QD 1 10 LEU QD . . 3.310 2.341 1.876 2.730 . 0 0 "[ . 1 . 2]" 1
879 1 6 TYR QD 1 83 LEU QB . . 4.020 2.704 2.444 3.003 . 0 0 "[ . 1 . 2]" 1
880 1 6 TYR QD 1 83 LEU QD . . 3.540 2.559 1.930 3.473 . 0 0 "[ . 1 . 2]" 1
881 1 6 TYR QE 1 10 LEU QD . . 3.840 2.801 2.363 3.156 . 0 0 "[ . 1 . 2]" 1
882 1 6 TYR QE 1 16 LYS QB . . 4.150 2.847 2.221 3.270 . 0 0 "[ . 1 . 2]" 1
883 1 6 TYR QE 1 34 LEU QD . . 4.150 3.224 2.743 3.540 . 0 0 "[ . 1 . 2]" 1
884 1 6 TYR QE 1 83 LEU QD . . 3.870 3.034 2.214 3.876 0.006 1 0 "[ . 1 . 2]" 1
885 1 7 TYR H 1 10 LEU QD . . 4.360 4.314 4.168 4.426 0.066 12 0 "[ . 1 . 2]" 1
886 1 10 LEU H 1 10 LEU QD . . 4.250 3.681 3.468 3.734 . 0 0 "[ . 1 . 2]" 1
887 1 10 LEU HA 1 10 LEU QD . . 2.760 2.323 1.933 2.782 0.022 15 0 "[ . 1 . 2]" 1
888 1 10 LEU HB3 1 10 LEU QD . . 2.820 2.152 2.037 2.300 . 0 0 "[ . 1 . 2]" 1
889 1 10 LEU QD 1 11 ARG H . . 4.870 3.825 3.464 4.168 . 0 0 "[ . 1 . 2]" 1
890 1 10 LEU QD 1 11 ARG HA . . 4.670 3.885 3.165 4.699 0.029 4 0 "[ . 1 . 2]" 1
891 1 10 LEU QD 1 34 LEU HB3 . . 4.450 3.223 2.537 3.683 . 0 0 "[ . 1 . 2]" 1
892 1 10 LEU QD 1 34 LEU QD . . 3.610 2.526 2.151 3.207 . 0 0 "[ . 1 . 2]" 1
893 1 10 LEU QD 1 38 TYR HB3 . . 3.940 3.534 3.124 4.002 0.062 20 0 "[ . 1 . 2]" 1
894 1 10 LEU QD 1 83 LEU HA . . 5.270 5.095 4.910 5.271 0.001 1 0 "[ . 1 . 2]" 1
895 1 10 LEU QD 1 83 LEU QB . . 3.240 2.801 2.646 2.963 . 0 0 "[ . 1 . 2]" 1
896 1 10 LEU QD 1 83 LEU QD . . 3.080 2.269 1.760 3.112 0.032 20 0 "[ . 1 . 2]" 1
897 1 14 THR HB 1 16 LYS QB . . 4.460 2.947 2.391 4.079 . 0 0 "[ . 1 . 2]" 1
898 1 16 LYS QB 1 16 LYS QE . . 3.530 2.661 1.982 3.569 0.039 13 0 "[ . 1 . 2]" 1
899 1 18 GLU HA 1 18 GLU QG . . 2.880 2.461 2.253 2.577 . 0 0 "[ . 1 . 2]" 1
900 1 18 GLU QG 1 19 GLU H . . 3.400 2.200 1.987 2.430 . 0 0 "[ . 1 . 2]" 1
901 1 18 GLU QG 1 19 GLU HA . . 4.130 3.742 3.196 4.118 . 0 0 "[ . 1 . 2]" 1
902 1 21 PHE H 1 21 PHE QB . . 3.620 2.693 2.623 2.814 . 0 0 "[ . 1 . 2]" 1
903 1 21 PHE QB 1 22 ASN H . . 4.370 2.423 2.394 2.630 . 0 0 "[ . 1 . 2]" 1
904 1 21 PHE QB 1 24 ILE H . . 4.970 4.034 3.758 4.342 . 0 0 "[ . 1 . 2]" 1
905 1 21 PHE QB 1 24 ILE MG . . 4.980 4.502 4.216 4.667 . 0 0 "[ . 1 . 2]" 1
906 1 21 PHE QB 1 24 ILE QG . . 4.250 3.797 3.089 4.257 0.007 4 0 "[ . 1 . 2]" 1
907 1 22 ASN QB 1 23 GLY H . . 3.870 3.081 2.610 3.665 . 0 0 "[ . 1 . 2]" 1
908 1 24 ILE HA 1 24 ILE QG . . 3.230 2.449 2.427 2.504 . 0 0 "[ . 1 . 2]" 1
909 1 24 ILE QG 1 24 ILE MG . . 3.230 2.139 2.020 2.336 . 0 0 "[ . 1 . 2]" 1
910 1 24 ILE MG 1 25 SER QB . . 4.920 4.331 4.094 4.630 . 0 0 "[ . 1 . 2]" 1
911 1 25 SER H 1 25 SER QB . . 3.680 2.567 2.391 2.765 . 0 0 "[ . 1 . 2]" 1
912 1 25 SER QB 1 26 LYS H . . 4.140 3.346 2.944 3.586 . 0 0 "[ . 1 . 2]" 1
913 1 28 SER QB 1 71 LEU QB . . 3.010 2.154 1.972 3.019 0.009 12 0 "[ . 1 . 2]" 1
914 1 30 LEU H 1 30 LEU QD . . 4.160 3.592 3.500 3.720 . 0 0 "[ . 1 . 2]" 1
915 1 30 LEU HA 1 30 LEU QD . . 2.920 1.988 1.906 2.882 . 0 0 "[ . 1 . 2]" 1
916 1 30 LEU QD 1 31 LEU H . . 4.500 2.977 2.708 3.260 . 0 0 "[ . 1 . 2]" 1
917 1 30 LEU QD 1 31 LEU HA . . 4.430 2.795 2.584 3.048 . 0 0 "[ . 1 . 2]" 1
918 1 30 LEU QD 1 31 LEU QB . . 4.220 4.043 3.730 4.250 0.030 5 0 "[ . 1 . 2]" 1
919 1 30 LEU QD 1 33 ARG H . . 4.710 3.964 3.749 4.677 . 0 0 "[ . 1 . 2]" 1
920 1 30 LEU QD 1 33 ARG QB . . 3.810 2.805 2.489 3.881 0.071 12 0 "[ . 1 . 2]" 1
921 1 30 LEU QD 1 34 LEU H . . 4.230 3.432 3.002 3.661 . 0 0 "[ . 1 . 2]" 1
922 1 30 LEU QD 1 34 LEU HA . . 5.000 4.266 4.029 4.497 . 0 0 "[ . 1 . 2]" 1
923 1 30 LEU QD 1 34 LEU HG . . 4.190 2.473 1.885 3.620 . 0 0 "[ . 1 . 2]" 1
924 1 30 LEU QD 1 34 LEU QD . . 3.060 1.796 1.538 2.043 . 0 0 "[ . 1 . 2]" 1
925 1 30 LEU QD 1 81 ILE HB . . 3.570 3.500 2.518 3.599 0.029 10 0 "[ . 1 . 2]" 1
926 1 31 LEU HA 1 34 LEU QD . . 3.510 2.728 2.229 3.416 . 0 0 "[ . 1 . 2]" 1
927 1 31 LEU QB 1 53 PHE QB . . 4.720 4.712 4.522 4.765 0.045 18 0 "[ . 1 . 2]" 1
928 1 33 ARG H 1 34 LEU QD . . 4.420 4.225 3.841 4.454 0.034 9 0 "[ . 1 . 2]" 1
929 1 34 LEU H 1 34 LEU QD . . 3.350 2.648 1.958 2.982 . 0 0 "[ . 1 . 2]" 1
930 1 34 LEU HA 1 34 LEU QD . . 2.950 2.056 1.928 2.505 . 0 0 "[ . 1 . 2]" 1
931 1 34 LEU HB3 1 83 LEU QD . . 4.480 3.937 3.524 4.498 0.018 6 0 "[ . 1 . 2]" 1
932 1 34 LEU QD 1 35 LYS H . . 4.340 3.931 3.782 3.997 . 0 0 "[ . 1 . 2]" 1
933 1 34 LEU QD 1 38 TYR HB2 . . 5.440 5.045 4.824 5.505 0.065 17 0 "[ . 1 . 2]" 1
934 1 35 LYS H 1 35 LYS QB . . 3.320 2.304 2.202 2.561 . 0 0 "[ . 1 . 2]" 1
935 1 35 LYS QB 1 36 VAL H . . 3.610 2.689 2.585 2.783 . 0 0 "[ . 1 . 2]" 1
936 1 35 LYS QB 1 36 VAL HB . . 5.180 4.804 4.670 4.974 . 0 0 "[ . 1 . 2]" 1
937 1 35 LYS QB 1 43 THR HA . . 4.860 4.766 4.517 4.872 0.012 12 0 "[ . 1 . 2]" 1
938 1 43 THR HA 1 52 LEU QD . . 5.050 4.199 2.697 5.060 0.010 4 0 "[ . 1 . 2]" 1
939 1 46 MET HA 1 52 LEU QD . . 4.900 3.473 2.631 3.713 . 0 0 "[ . 1 . 2]" 1
940 1 46 MET QB 1 52 LEU QD . . 3.910 2.144 1.651 2.707 . 0 0 "[ . 1 . 2]" 1
941 1 47 TYR HA 1 52 LEU QD . . 4.330 3.092 2.800 4.321 . 0 0 "[ . 1 . 2]" 1
942 1 47 TYR QD 1 52 LEU QD . . 3.910 2.952 1.911 3.880 . 0 0 "[ . 1 . 2]" 1
943 1 47 TYR QE 1 52 LEU QD . . 3.510 2.984 1.956 3.533 0.023 11 0 "[ . 1 . 2]" 1
944 1 51 ASN HA 1 52 LEU QD . . 5.440 5.092 4.960 5.238 . 0 0 "[ . 1 . 2]" 1
945 1 52 LEU H 1 52 LEU QD . . 3.890 3.745 3.576 3.943 0.053 15 0 "[ . 1 . 2]" 1
946 1 52 LEU HA 1 52 LEU QD . . 3.570 2.140 1.915 3.148 . 0 0 "[ . 1 . 2]" 1
947 1 52 LEU QB 1 53 PHE QB . . 4.770 3.968 3.698 4.702 . 0 0 "[ . 1 . 2]" 1
948 1 52 LEU QD 1 53 PHE H . . 3.590 2.877 2.259 3.409 . 0 0 "[ . 1 . 2]" 1
949 1 52 LEU QD 1 53 PHE QB . . 4.120 3.605 2.856 4.297 0.177 19 0 "[ . 1 . 2]" 1
950 1 52 LEU QD 1 53 PHE QD . . 4.890 4.107 2.536 4.827 . 0 0 "[ . 1 . 2]" 1
951 1 52 LEU QD 1 56 VAL H . . 5.440 3.220 2.952 4.650 . 0 0 "[ . 1 . 2]" 1
952 1 52 LEU QD 1 56 VAL HA . . 4.670 3.309 2.983 4.010 . 0 0 "[ . 1 . 2]" 1
953 1 52 LEU QD 1 56 VAL HB . . 3.540 2.336 2.032 2.880 . 0 0 "[ . 1 . 2]" 1
954 1 52 LEU QD 1 56 VAL MG1 . . 3.760 3.507 3.168 3.818 0.058 14 0 "[ . 1 . 2]" 1
955 1 52 LEU QD 1 56 VAL MG2 . . 2.760 2.623 2.050 2.785 0.025 17 0 "[ . 1 . 2]" 1
956 1 53 PHE H 1 53 PHE QB . . 3.380 2.292 2.185 2.630 . 0 0 "[ . 1 . 2]" 1
957 1 53 PHE QB 1 56 VAL H . . 5.340 4.593 4.419 4.720 . 0 0 "[ . 1 . 2]" 1
958 1 53 PHE QB 1 56 VAL HB . . 5.020 4.002 3.881 4.167 . 0 0 "[ . 1 . 2]" 1
959 1 53 PHE QB 1 56 VAL MG1 . . 3.340 3.085 2.716 3.258 . 0 0 "[ . 1 . 2]" 1
960 1 55 ASN HB2 1 86 PRO QB . . 3.910 3.106 2.835 3.586 . 0 0 "[ . 1 . 2]" 1
961 1 55 ASN HB3 1 86 PRO QB . . 3.680 2.075 1.940 2.511 . 0 0 "[ . 1 . 2]" 1
962 1 56 VAL H 1 86 PRO QB . . 4.240 3.317 3.084 3.496 . 0 0 "[ . 1 . 2]" 1
963 1 57 ILE HA 1 57 ILE QG . . 3.300 2.598 2.370 3.109 . 0 0 "[ . 1 . 2]" 1
964 1 57 ILE QG 1 58 ILE H . . 4.110 3.096 2.791 3.583 . 0 0 "[ . 1 . 2]" 1
965 1 57 ILE QG 1 58 ILE HA . . 4.370 3.702 3.646 3.728 . 0 0 "[ . 1 . 2]" 1
966 1 57 ILE QG 1 84 PHE H . . 5.030 4.239 3.920 4.492 . 0 0 "[ . 1 . 2]" 1
967 1 57 ILE QG 1 84 PHE HB2 . . 4.390 2.987 2.719 3.314 . 0 0 "[ . 1 . 2]" 1
968 1 58 ILE HA 1 58 ILE QG . . 3.550 3.411 3.410 3.412 . 0 0 "[ . 1 . 2]" 1
969 1 58 ILE MG 1 83 LEU QB . . 4.390 3.847 3.529 4.029 . 0 0 "[ . 1 . 2]" 1
970 1 58 ILE QG 1 59 LEU H . . 5.020 4.191 4.135 4.297 . 0 0 "[ . 1 . 2]" 1
971 1 59 LEU H 1 59 LEU QD . . 4.380 3.271 3.141 3.434 . 0 0 "[ . 1 . 2]" 1
972 1 59 LEU HA 1 59 LEU QD . . 2.940 2.610 2.539 2.715 . 0 0 "[ . 1 . 2]" 1
973 1 59 LEU HA 1 64 ASN QB . . 4.760 4.588 4.128 4.777 0.017 16 0 "[ . 1 . 2]" 1
974 1 59 LEU QD 1 60 VAL H . . 4.580 3.652 3.277 3.805 . 0 0 "[ . 1 . 2]" 1
975 1 59 LEU QD 1 62 GLY QA . . 4.060 3.301 3.069 3.543 . 0 0 "[ . 1 . 2]" 1
976 1 59 LEU QD 1 63 ASN HA . . 3.870 2.643 2.432 2.876 . 0 0 "[ . 1 . 2]" 1
977 1 59 LEU QD 1 64 ASN HA . . 2.760 2.236 2.038 2.537 . 0 0 "[ . 1 . 2]" 1
978 1 59 LEU QD 1 64 ASN QB . . 3.130 2.658 2.059 3.138 0.008 20 0 "[ . 1 . 2]" 1
979 1 60 VAL H 1 60 VAL QG . . 3.830 1.960 1.860 2.580 . 0 0 "[ . 1 . 2]" 1
980 1 60 VAL HA 1 60 VAL QG . . 2.620 2.257 2.108 2.345 . 0 0 "[ . 1 . 2]" 1
981 1 60 VAL QG 1 61 ASN H . . 3.510 2.470 2.215 3.525 0.015 19 0 "[ . 1 . 2]" 1
982 1 60 VAL QG 1 61 ASN HA . . 4.650 3.860 3.717 4.731 0.081 19 0 "[ . 1 . 2]" 1
983 1 60 VAL QG 1 61 ASN QB . . 3.260 2.699 2.446 3.133 . 0 0 "[ . 1 . 2]" 1
984 1 60 VAL QG 1 65 ILE HA . . 5.400 3.105 2.586 3.971 . 0 0 "[ . 1 . 2]" 1
985 1 60 VAL QG 1 73 THR HA . . 5.370 4.609 4.467 4.778 . 0 0 "[ . 1 . 2]" 1
986 1 60 VAL QG 1 73 THR HB . . 4.580 3.926 3.266 4.230 . 0 0 "[ . 1 . 2]" 1
987 1 60 VAL QG 1 73 THR MG . . 2.820 2.041 1.783 2.235 . 0 0 "[ . 1 . 2]" 1
988 1 60 VAL QG 1 81 ILE HA . . 4.580 4.118 3.854 4.383 . 0 0 "[ . 1 . 2]" 1
989 1 61 ASN HA 1 62 GLY QA . . 4.780 4.039 4.022 4.060 . 0 0 "[ . 1 . 2]" 1
990 1 61 ASN QB 1 75 ILE HA . . 4.390 3.565 3.336 3.819 . 0 0 "[ . 1 . 2]" 1
991 1 61 ASN QB 1 75 ILE HB . . 5.100 5.130 5.103 5.163 0.063 1 0 "[ . 1 . 2]" 1
992 1 61 ASN QB 1 75 ILE MG . . 4.400 2.666 2.588 2.795 . 0 0 "[ . 1 . 2]" 1
993 1 61 ASN QB 1 76 LYS HA . . 4.800 4.506 4.291 4.718 . 0 0 "[ . 1 . 2]" 1
994 1 61 ASN QB 1 80 LYS H . . 3.930 3.713 3.449 3.945 0.015 15 0 "[ . 1 . 2]" 1
995 1 63 ASN H 1 63 ASN QB . . 3.450 2.960 2.916 2.985 . 0 0 "[ . 1 . 2]" 1
996 1 63 ASN HA 1 63 ASN QB . . 2.620 2.362 2.270 2.536 . 0 0 "[ . 1 . 2]" 1
997 1 68 MET QG 1 69 LYS QB . . 4.530 2.160 2.118 2.251 . 0 0 "[ . 1 . 2]" 1
998 1 69 LYS QB 1 69 LYS QD . . 3.320 2.066 1.976 2.211 . 0 0 "[ . 1 . 2]" 1
999 1 69 LYS QB 1 72 ASP QB . . 3.910 3.496 3.025 3.778 . 0 0 "[ . 1 . 2]" 1
1000 1 69 LYS QB 1 73 THR H . . 4.110 2.798 2.565 3.139 . 0 0 "[ . 1 . 2]" 1
1001 1 69 LYS QB 1 73 THR HA . . 2.810 2.147 1.971 2.503 . 0 0 "[ . 1 . 2]" 1
1002 1 69 LYS QB 1 73 THR MG . . 3.630 3.166 2.820 3.549 . 0 0 "[ . 1 . 2]" 1
1003 1 69 LYS QB 1 74 GLU H . . 4.550 3.864 3.681 4.261 . 0 0 "[ . 1 . 2]" 1
1004 1 69 LYS QD 1 72 ASP QB . . 3.630 3.052 1.937 3.636 0.006 7 0 "[ . 1 . 2]" 1
1005 1 70 GLY H 1 71 LEU QD . . 5.440 4.724 3.738 5.381 . 0 0 "[ . 1 . 2]" 1
1006 1 70 GLY HA3 1 71 LEU QD . . 4.770 3.948 2.894 4.470 . 0 0 "[ . 1 . 2]" 1
1007 1 71 LEU H 1 71 LEU QD . . 3.880 2.812 1.993 3.414 . 0 0 "[ . 1 . 2]" 1
1008 1 71 LEU QB 1 71 LEU QD . . 2.390 1.827 1.766 1.929 . 0 0 "[ . 1 . 2]" 1
1009 1 71 LEU QD 1 72 ASP H . . 4.400 3.360 2.584 4.279 . 0 0 "[ . 1 . 2]" 1
1010 1 72 ASP H 1 72 ASP QB . . 3.120 2.250 2.145 2.560 . 0 0 "[ . 1 . 2]" 1
1011 1 72 ASP QB 1 73 THR H . . 4.230 3.553 3.544 3.570 . 0 0 "[ . 1 . 2]" 1
1012 1 72 ASP QB 1 73 THR HA . . 4.820 4.205 4.135 4.309 . 0 0 "[ . 1 . 2]" 1
1013 1 75 ILE HA 1 76 LYS QG . . 4.490 4.148 3.934 4.342 . 0 0 "[ . 1 . 2]" 1
1014 1 76 LYS H 1 76 LYS QG . . 3.540 2.931 2.742 3.128 . 0 0 "[ . 1 . 2]" 1
1015 1 76 LYS HA 1 76 LYS QG . . 3.320 2.588 2.303 2.712 . 0 0 "[ . 1 . 2]" 1
1016 1 76 LYS QG 1 77 ASP H . . 4.050 3.905 3.756 4.020 . 0 0 "[ . 1 . 2]" 1
1017 1 76 LYS QD 1 77 ASP QB . . 4.510 4.081 3.727 4.487 . 0 0 "[ . 1 . 2]" 1
1018 1 77 ASP H 1 77 ASP QB . . 2.930 2.313 2.172 2.654 . 0 0 "[ . 1 . 2]" 1
1019 1 82 ASP H 1 83 LEU QD . . 5.440 4.554 3.453 5.445 0.005 7 0 "[ . 1 . 2]" 1
1020 1 83 LEU H 1 83 LEU QB . . 3.530 2.351 2.261 2.437 . 0 0 "[ . 1 . 2]" 1
1021 1 83 LEU H 1 83 LEU QD . . 4.420 3.160 2.538 3.829 . 0 0 "[ . 1 . 2]" 1
1022 1 83 LEU HA 1 83 LEU QD . . 3.030 2.323 1.893 2.938 . 0 0 "[ . 1 . 2]" 1
1023 1 83 LEU QB 1 83 LEU QD . . 2.490 1.890 1.727 2.045 . 0 0 "[ . 1 . 2]" 1
1024 1 83 LEU QB 1 84 PHE H . . 4.420 3.493 3.424 3.776 . 0 0 "[ . 1 . 2]" 1
1025 1 83 LEU QD 1 84 PHE H . . 3.730 3.403 2.992 3.758 0.028 1 0 "[ . 1 . 2]" 1
1026 1 86 PRO HA 1 87 VAL QG . . 4.530 3.533 3.296 3.748 . 0 0 "[ . 1 . 2]" 1
1027 1 86 PRO QB 1 87 VAL H . . 3.900 2.665 2.148 3.561 . 0 0 "[ . 1 . 2]" 1
1028 1 86 PRO QB 1 87 VAL QG . . 3.730 3.361 2.809 3.736 0.006 18 0 "[ . 1 . 2]" 1
1029 1 86 PRO QB 1 89 GLY QA . . 4.550 4.037 3.569 4.545 . 0 0 "[ . 1 . 2]" 1
1030 1 87 VAL H 1 87 VAL QG . . 3.230 1.980 1.825 2.497 . 0 0 "[ . 1 . 2]" 1
1031 1 87 VAL HA 1 87 VAL QG . . 3.140 2.193 2.040 2.357 . 0 0 "[ . 1 . 2]" 1
1032 1 87 VAL QG 1 88 ALA HA . . 4.920 3.825 3.189 4.957 0.037 8 0 "[ . 1 . 2]" 1
1033 1 87 VAL QG 1 89 GLY QA . . 5.440 5.110 4.651 5.443 0.003 2 0 "[ . 1 . 2]" 1
1034 1 89 GLY QA 1 90 GLY QA . . 3.960 3.650 3.539 3.752 . 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 42
_Distance_constraint_stats_list.Viol_count 824
_Distance_constraint_stats_list.Viol_total 5645.733
_Distance_constraint_stats_list.Viol_max 0.633
_Distance_constraint_stats_list.Viol_rms 0.1892
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3361
_Distance_constraint_stats_list.Viol_average_violations_only 0.3426
_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 2 VAL 7.154 0.504 20 1 "[ . 1 . +]"
1 3 THR 22.940 0.536 2 5 "[ + -. *1 *.* 2]"
1 4 VAL 24.340 0.580 17 10 "[* *. *** *- +**2]"
1 5 ARG 20.363 0.545 11 8 "[ * -.* 1+ *.** *]"
1 7 TYR 19.166 0.591 19 20 [************-*****+*]
1 10 LEU 15.174 0.520 12 5 "[ .* - + .* * 2]"
1 13 ILE 15.174 0.520 12 5 "[ .* - + .* * 2]"
1 19 GLU 24.340 0.580 17 10 "[* *. *** *- +**2]"
1 21 PHE 7.154 0.504 20 1 "[ . 1 . +]"
1 26 LYS 18.351 0.541 18 13 "[ ***.* *1**-****+ 2]"
1 27 ILE 6.732 0.509 10 1 "[ . + . 2]"
1 28 SER 22.078 0.633 12 19 "[*** -******+********]"
1 29 GLU 14.690 0.529 15 12 "[ *- ** * ** **+ **]"
1 30 LEU 31.267 0.541 18 14 "[ ***.* ****-****+ 2]"
1 31 LEU 26.536 0.602 20 16 "[*** ******* -** ** +]"
1 32 GLU 40.958 0.633 12 20 [***********+*****-**]
1 33 ARG 15.906 0.529 15 12 "[ *- ** * ** **+ **]"
1 34 LEU 15.029 0.525 10 4 "[ * . +- * . 2]"
1 35 LYS 19.804 0.602 20 15 "[*** *****1* -** ** +]"
1 36 VAL 18.880 0.550 17 17 "[****** **** *** +-**]"
1 37 GLU 1.216 0.088 16 0 "[ . 1 . 2]"
1 38 TYR 2.113 0.201 12 0 "[ . 1 . 2]"
1 57 ILE 21.469 0.602 20 20 [*******-***********+]
1 59 LEU 34.898 0.551 20 13 "[** . ***1 ** **-**+]"
1 79 ASP 13.081 0.509 9 1 "[ . +1 . 2]"
1 81 ILE 13.186 0.536 2 4 "[ + -. 1 *.* 2]"
1 82 ASP 34.898 0.551 20 13 "[** . ***1 ** **-**+]"
1 83 LEU 36.202 0.591 19 20 [***-**************+*]
1 84 PHE 21.469 0.602 20 20 [*******-***********+]
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 2 VAL O 1 21 PHE H . . 1.800 2.018 1.855 2.304 0.504 20 1 "[ . 1 . +]" 2
2 1 2 VAL O 1 21 PHE N . . 2.700 2.840 2.742 3.056 0.356 20 0 "[ . 1 . 2]" 2
3 1 4 VAL H 1 19 GLU O . . 1.800 1.920 1.800 2.044 0.244 17 0 "[ . 1 . 2]" 2
4 1 4 VAL N 1 19 GLU O . . 2.700 2.868 2.750 2.978 0.278 17 0 "[ . 1 . 2]" 2
5 1 4 VAL O 1 19 GLU H . . 1.800 2.236 2.060 2.328 0.528 17 5 "[* *. 1 . +-*2]" 2
6 1 4 VAL O 1 19 GLU N . . 2.700 3.193 3.026 3.280 0.580 17 10 "[* *. *** *- +**2]" 2
7 1 59 LEU O 1 82 ASP H . . 1.800 2.183 2.018 2.307 0.507 1 1 "[+ . 1 . 2]" 2
8 1 59 LEU O 1 82 ASP N . . 2.700 3.067 2.933 3.177 0.477 1 0 "[ . 1 . 2]" 2
9 1 59 LEU H 1 82 ASP O . . 1.800 2.290 2.178 2.344 0.544 20 12 "[** . -**1 ** ** **+]" 2
10 1 59 LEU N 1 82 ASP O . . 2.700 3.205 3.118 3.251 0.551 20 12 "[** . ** 1 ** **-**+]" 2
11 1 57 ILE O 1 84 PHE H . . 1.800 2.331 2.286 2.402 0.602 20 18 "[*******-***** * ***+]" 2
12 1 57 ILE O 1 84 PHE N . . 2.700 3.242 3.162 3.282 0.582 12 18 "[******* ***+*-*****2]" 2
13 1 3 THR H 1 79 ASP O . . 1.800 2.102 1.956 2.273 0.473 9 0 "[ . 1 . 2]" 2
14 1 3 THR N 1 79 ASP O . . 2.700 3.052 2.913 3.209 0.509 9 1 "[ . +1 . 2]" 2
15 1 3 THR O 1 81 ILE H . . 1.800 2.026 1.791 2.331 0.531 16 4 "[ * -. 1 *.+ 2]" 2
16 1 3 THR O 1 81 ILE N . . 2.700 2.966 2.737 3.236 0.536 2 4 "[ + -. 1 *.* 2]" 2
17 1 5 ARG H 1 81 ILE O . . 1.800 1.882 1.805 2.107 0.307 11 0 "[ . 1 . 2]" 2
18 1 5 ARG N 1 81 ILE O . . 2.700 2.784 2.729 3.062 0.362 11 0 "[ . 1 . 2]" 2
19 1 5 ARG O 1 83 LEU H . . 1.800 2.260 2.046 2.345 0.545 11 8 "[ * -.* 1+ *.** *]" 2
20 1 5 ARG O 1 83 LEU N . . 2.700 3.092 2.893 3.173 0.473 4 0 "[ . 1 . 2]" 2
21 1 7 TYR H 1 83 LEU O . . 1.800 2.361 2.335 2.391 0.591 19 20 [************-*****+*] 2
22 1 7 TYR N 1 83 LEU O . . 2.700 3.097 3.047 3.167 0.467 2 0 "[ . 1 . 2]" 2
23 1 10 LEU O 1 13 ILE H . . 1.800 2.256 2.190 2.320 0.520 12 5 "[ .* - + .* * 2]" 2
24 1 10 LEU O 1 13 ILE N . . 2.700 3.003 2.938 3.068 0.368 6 0 "[ . 1 . 2]" 2
25 1 26 LYS O 1 30 LEU H . . 1.800 2.292 2.181 2.341 0.541 18 13 "[ ***.* *1**-****+ 2]" 2
26 1 26 LYS O 1 30 LEU N . . 2.700 3.126 2.987 3.206 0.506 18 1 "[ . 1 . + 2]" 2
27 1 27 ILE O 1 31 LEU H . . 1.800 1.936 1.792 2.256 0.456 10 0 "[ . 1 . 2]" 2
28 1 27 ILE O 1 31 LEU N . . 2.700 2.900 2.765 3.209 0.509 10 1 "[ . + . 2]" 2
29 1 28 SER O 1 32 GLU H . . 1.800 2.323 2.238 2.365 0.565 12 19 "[*** -******+********]" 2
30 1 28 SER O 1 32 GLU N . . 2.700 3.281 3.105 3.333 0.633 12 19 "[*** **-****+********]" 2
31 1 29 GLU O 1 33 ARG H . . 1.800 2.200 1.788 2.324 0.524 19 12 "[ *- ** * ** *** +*]" 2
32 1 29 GLU O 1 33 ARG N . . 2.700 3.034 2.732 3.229 0.529 15 2 "[ . 1 - + 2]" 2
33 1 30 LEU O 1 34 LEU H . . 1.800 2.152 1.792 2.325 0.525 10 4 "[ * . +- * . 2]" 2
34 1 30 LEU O 1 34 LEU N . . 2.700 2.994 2.764 3.147 0.447 10 0 "[ . 1 . 2]" 2
35 1 31 LEU O 1 35 LYS H . . 1.800 2.271 2.008 2.349 0.549 20 9 "[ ** ** * 1* - . * +]" 2
36 1 31 LEU O 1 35 LYS N . . 2.700 3.219 2.925 3.302 0.602 20 15 "[*** *****1* **- ** +]" 2
37 1 32 GLU O 1 36 VAL H . . 1.800 2.276 1.890 2.350 0.550 17 17 "[****** **** *** +-**]" 2
38 1 32 GLU O 1 36 VAL N . . 2.700 3.168 2.760 3.240 0.540 19 9 "[ * - *** *** +2]" 2
39 1 33 ARG O 1 37 GLU H . . 1.800 1.810 1.787 1.829 0.029 2 0 "[ . 1 . 2]" 2
40 1 33 ARG O 1 37 GLU N . . 2.700 2.749 2.726 2.788 0.088 16 0 "[ . 1 . 2]" 2
41 1 34 LEU O 1 38 TYR H . . 1.800 1.840 1.788 1.963 0.163 12 0 "[ . 1 . 2]" 2
42 1 34 LEU O 1 38 TYR N . . 2.700 2.764 2.706 2.901 0.201 12 0 "[ . 1 . 2]" 2
stop_
save_
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