NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
600413 |
2n4i   |
17833 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n4i
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 838
_Distance_constraint_stats_list.Viol_count 770
_Distance_constraint_stats_list.Viol_total 938.485
_Distance_constraint_stats_list.Viol_max 0.813
_Distance_constraint_stats_list.Viol_rms 0.0203
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0028
_Distance_constraint_stats_list.Viol_average_violations_only 0.0609
_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 3 SER 1.321 0.122 3 0 "[ . 1 . 2]"
1 4 GLU 1.321 0.122 3 0 "[ . 1 . 2]"
1 5 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 PHE 2.359 0.813 19 2 "[ . 1 .- +2]"
1 7 ILE 1.447 0.173 18 0 "[ . 1 . 2]"
1 8 VAL 1.471 0.173 18 0 "[ . 1 . 2]"
1 9 ASN 0.104 0.038 10 0 "[ . 1 . 2]"
1 11 LEU 0.457 0.108 20 0 "[ . 1 . 2]"
1 12 GLU 0.457 0.108 20 0 "[ . 1 . 2]"
1 13 GLY 0.064 0.042 16 0 "[ . 1 . 2]"
1 14 PRO 0.143 0.053 8 0 "[ . 1 . 2]"
1 15 VAL 0.550 0.174 15 0 "[ . 1 . 2]"
1 16 LEU 2.011 0.174 15 0 "[ . 1 . 2]"
1 17 ALA 0.795 0.110 13 0 "[ . 1 . 2]"
1 18 SER 2.671 0.295 5 0 "[ . 1 . 2]"
1 19 LEU 4.117 0.295 5 0 "[ . 1 . 2]"
1 20 GLY 0.156 0.087 16 0 "[ . 1 . 2]"
1 21 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ASN 0.472 0.151 18 0 "[ . 1 . 2]"
1 23 LEU 1.539 0.162 5 0 "[ . 1 . 2]"
1 24 GLU 0.608 0.062 2 0 "[ . 1 . 2]"
1 25 LEU 2.412 0.365 10 0 "[ . 1 . 2]"
1 26 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 CYS 0.383 0.195 11 0 "[ . 1 . 2]"
1 28 GLN 0.150 0.041 13 0 "[ . 1 . 2]"
1 29 LEU 3.234 0.813 19 2 "[ . 1 .- +2]"
1 30 SER 0.051 0.032 14 0 "[ . 1 . 2]"
1 32 PRO 0.137 0.039 5 0 "[ . 1 . 2]"
1 33 GLN 0.137 0.039 5 0 "[ . 1 . 2]"
1 34 GLN 1.805 0.131 19 0 "[ . 1 . 2]"
1 35 ALA 1.437 0.131 19 0 "[ . 1 . 2]"
1 36 GLN 0.036 0.027 8 0 "[ . 1 . 2]"
1 37 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 GLU 1.248 0.092 8 0 "[ . 1 . 2]"
1 40 ILE 0.916 0.092 12 0 "[ . 1 . 2]"
1 41 ARG 0.437 0.091 11 0 "[ . 1 . 2]"
1 42 TRP 1.670 0.317 7 0 "[ . 1 . 2]"
1 43 PHE 1.152 0.092 7 0 "[ . 1 . 2]"
1 53 LEU 1.305 0.219 20 0 "[ . 1 . 2]"
1 54 TYR 0.654 0.083 18 0 "[ . 1 . 2]"
1 55 ARG 1.305 0.129 12 0 "[ . 1 . 2]"
1 56 ASP 0.318 0.129 12 0 "[ . 1 . 2]"
1 57 GLY 0.159 0.064 15 0 "[ . 1 . 2]"
1 58 LYS 0.568 0.121 8 0 "[ . 1 . 2]"
1 59 ASP 0.409 0.121 8 0 "[ . 1 . 2]"
1 61 PHE 0.038 0.028 17 0 "[ . 1 . 2]"
1 62 GLY 0.069 0.069 9 0 "[ . 1 . 2]"
1 63 GLU 1.981 0.221 20 0 "[ . 1 . 2]"
1 64 ILE 1.034 0.134 7 0 "[ . 1 . 2]"
1 65 ILE 5.666 0.243 2 0 "[ . 1 . 2]"
1 67 LYS 3.824 0.243 2 0 "[ . 1 . 2]"
1 68 TYR 0.346 0.087 9 0 "[ . 1 . 2]"
1 72 THR 0.119 0.103 7 0 "[ . 1 . 2]"
1 73 GLU 0.465 0.106 20 0 "[ . 1 . 2]"
1 74 LEU 0.704 0.068 6 0 "[ . 1 . 2]"
1 75 LEU 0.472 0.081 11 0 "[ . 1 . 2]"
1 76 LYS 1.328 0.161 14 0 "[ . 1 . 2]"
1 77 ASP 0.675 0.121 5 0 "[ . 1 . 2]"
1 78 GLY 0.056 0.032 1 0 "[ . 1 . 2]"
1 79 ILE 0.535 0.161 14 0 "[ . 1 . 2]"
1 80 GLY 0.686 0.084 8 0 "[ . 1 . 2]"
1 81 GLU 0.096 0.031 14 0 "[ . 1 . 2]"
1 82 GLY 2.148 0.149 18 0 "[ . 1 . 2]"
1 83 LYS 0.528 0.053 6 0 "[ . 1 . 2]"
1 84 VAL 0.333 0.034 7 0 "[ . 1 . 2]"
1 85 THR 0.154 0.056 17 0 "[ . 1 . 2]"
1 86 LEU 0.838 0.103 7 0 "[ . 1 . 2]"
1 87 ARG 1.189 0.106 20 0 "[ . 1 . 2]"
1 88 ILE 2.367 0.139 19 0 "[ . 1 . 2]"
1 89 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 ASN 1.531 0.135 7 0 "[ . 1 . 2]"
1 91 VAL 1.539 0.135 7 0 "[ . 1 . 2]"
1 92 THR 0.632 0.087 7 0 "[ . 1 . 2]"
1 93 VAL 0.495 0.109 15 0 "[ . 1 . 2]"
1 94 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 ASP 0.033 0.033 2 0 "[ . 1 . 2]"
1 97 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 TYR 1.692 0.365 10 0 "[ . 1 . 2]"
1 100 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 VAL 0.016 0.016 5 0 "[ . 1 . 2]"
1 103 PHE 7.209 0.360 8 0 "[ . 1 . 2]"
1 104 LYS 0.620 0.091 11 0 "[ . 1 . 2]"
1 105 ASP 0.194 0.061 5 0 "[ . 1 . 2]"
1 108 PHE 1.171 0.168 13 0 "[ . 1 . 2]"
1 109 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 GLU 0.019 0.014 12 0 "[ . 1 . 2]"
1 111 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 VAL 1.235 0.162 5 0 "[ . 1 . 2]"
1 117 LYS 0.570 0.164 14 0 "[ . 1 . 2]"
1 118 ILE 1.033 0.109 15 0 "[ . 1 . 2]"
1 119 THR 0.903 0.164 14 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 4 GLU HB2 1 5 PRO HD2 . . 6.870 4.449 3.262 5.170 . 0 0 "[ . 1 . 2]" 1
2 1 4 GLU HB2 1 5 PRO HD3 . . 6.870 4.607 3.829 5.152 . 0 0 "[ . 1 . 2]" 1
3 1 7 ILE HA 1 7 ILE MD . . 4.460 4.002 3.592 4.176 . 0 0 "[ . 1 . 2]" 1
4 1 16 LEU HA 1 16 LEU MD1 . . 4.240 3.597 1.808 4.070 . 0 0 "[ . 1 . 2]" 1
5 1 16 LEU HA 1 16 LEU MD2 . . 4.240 3.045 2.605 3.496 . 0 0 "[ . 1 . 2]" 1
6 1 19 LEU HA 1 19 LEU HG . . 4.010 2.462 2.145 3.595 . 0 0 "[ . 1 . 2]" 1
7 1 19 LEU HA 1 19 LEU MD1 . . 3.860 3.435 2.587 3.890 0.030 1 0 "[ . 1 . 2]" 1
8 1 19 LEU HA 1 19 LEU MD2 . . 3.860 3.223 2.406 3.986 0.126 17 0 "[ . 1 . 2]" 1
9 1 32 PRO HG3 1 33 GLN HG3 . . 6.220 5.637 3.741 6.259 0.039 5 0 "[ . 1 . 2]" 1
10 1 32 PRO HG3 1 33 GLN HG2 . . 6.220 5.162 3.741 6.231 0.011 10 0 "[ . 1 . 2]" 1
11 1 40 ILE MD 1 40 ILE MG . . 3.970 2.184 1.486 2.952 . 0 0 "[ . 1 . 2]" 1
12 1 73 GLU HA 1 73 GLU HG2 . . 4.230 3.330 2.254 3.996 . 0 0 "[ . 1 . 2]" 1
13 1 75 LEU HA 1 75 LEU HG . . 4.240 2.806 2.301 3.556 . 0 0 "[ . 1 . 2]" 1
14 1 76 LYS HA 1 79 ILE HB . . 3.700 2.812 2.212 3.265 . 0 0 "[ . 1 . 2]" 1
15 1 76 LYS HA 1 76 LYS HD3 . . 5.500 4.234 3.079 4.967 . 0 0 "[ . 1 . 2]" 1
16 1 76 LYS HB2 1 76 LYS HE2 . . 5.500 4.085 2.552 4.961 . 0 0 "[ . 1 . 2]" 1
17 1 76 LYS HB2 1 76 LYS HE3 . . 5.500 3.598 1.348 4.909 . 0 0 "[ . 1 . 2]" 1
18 1 76 LYS HA 1 76 LYS HD2 . . 5.500 4.281 3.216 4.907 . 0 0 "[ . 1 . 2]" 1
19 1 76 LYS HB3 1 76 LYS HE2 . . 5.500 4.197 2.635 5.146 . 0 0 "[ . 1 . 2]" 1
20 1 76 LYS HB3 1 76 LYS HE3 . . 5.500 3.923 2.053 4.802 . 0 0 "[ . 1 . 2]" 1
21 1 86 LEU HA 1 86 LEU HG . . 3.950 3.232 2.920 3.336 . 0 0 "[ . 1 . 2]" 1
22 1 118 ILE HA 1 118 ILE MD . . 4.530 2.608 1.556 3.845 . 0 0 "[ . 1 . 2]" 1
23 1 3 SER H 1 4 GLU HA . . 4.950 4.345 3.848 5.070 0.120 5 0 "[ . 1 . 2]" 1
24 1 3 SER H 1 4 GLU HB2 . . 5.030 4.086 3.144 5.151 0.121 20 0 "[ . 1 . 2]" 1
25 1 3 SER H 1 4 GLU HB3 . . 5.030 4.855 3.848 5.152 0.122 3 0 "[ . 1 . 2]" 1
26 1 4 GLU HB3 1 5 PRO HD3 . . 6.870 4.337 3.519 4.788 . 0 0 "[ . 1 . 2]" 1
27 1 24 GLU HB2 1 85 THR MG . . 4.520 4.329 3.865 4.576 0.056 17 0 "[ . 1 . 2]" 1
28 1 6 PHE HB2 1 29 LEU QD . . 8.640 4.441 2.351 6.549 . 0 0 "[ . 1 . 2]" 1
29 1 7 ILE HA 1 110 GLU HB3 . . 5.370 3.954 3.175 5.375 0.005 18 0 "[ . 1 . 2]" 1
30 1 7 ILE HA 1 8 VAL HB . . 5.320 4.608 3.921 5.083 . 0 0 "[ . 1 . 2]" 1
31 1 7 ILE HA 1 110 GLU HG2 . . 5.450 3.277 2.482 4.154 . 0 0 "[ . 1 . 2]" 1
32 1 7 ILE HA 1 110 GLU HB2 . . 5.370 3.479 2.488 4.612 . 0 0 "[ . 1 . 2]" 1
33 1 7 ILE HA 1 110 GLU HG3 . . 5.450 2.175 1.343 5.464 0.014 12 0 "[ . 1 . 2]" 1
34 1 7 ILE HB 1 8 VAL H . . 3.970 2.160 1.922 2.431 . 0 0 "[ . 1 . 2]" 1
35 1 7 ILE HG12 1 30 SER HB2 . . 6.740 4.218 2.621 5.464 . 0 0 "[ . 1 . 2]" 1
36 1 7 ILE HG13 1 30 SER HB2 . . 6.740 3.113 1.976 6.312 . 0 0 "[ . 1 . 2]" 1
37 1 7 ILE H 1 7 ILE HG12 . . 5.060 3.089 2.064 3.558 . 0 0 "[ . 1 . 2]" 1
38 1 7 ILE H 1 7 ILE HG13 . . 5.060 2.246 1.733 3.985 . 0 0 "[ . 1 . 2]" 1
39 1 8 VAL HA 1 30 SER H . . 4.990 3.209 2.280 3.862 . 0 0 "[ . 1 . 2]" 1
40 1 7 ILE HB 1 8 VAL HB . . 4.310 4.377 4.247 4.483 0.173 18 0 "[ . 1 . 2]" 1
41 1 8 VAL MG1 1 29 LEU QD . . 7.570 4.022 2.226 5.691 . 0 0 "[ . 1 . 2]" 1
42 1 74 LEU MD1 1 76 LYS HG2 . . 8.640 4.973 3.459 6.999 . 0 0 "[ . 1 . 2]" 1
43 1 39 GLU HG2 1 53 LEU MD1 . . 5.650 2.607 1.421 4.921 . 0 0 "[ . 1 . 2]" 1
44 1 96 ASP HA 1 118 ILE MD . . 4.520 2.843 1.795 3.974 . 0 0 "[ . 1 . 2]" 1
45 1 96 ASP HA 1 116 VAL HB . . 4.850 3.271 1.750 4.883 0.033 2 0 "[ . 1 . 2]" 1
46 1 11 LEU H 1 12 GLU HA . . 5.190 4.959 4.512 5.298 0.108 20 0 "[ . 1 . 2]" 1
47 1 12 GLU HB2 1 13 GLY H . . 5.040 2.925 2.310 4.016 . 0 0 "[ . 1 . 2]" 1
48 1 12 GLU HB3 1 13 GLY H . . 5.040 3.704 2.724 4.346 . 0 0 "[ . 1 . 2]" 1
49 1 14 PRO HB3 1 16 LEU MD2 . . 5.360 4.665 3.291 5.388 0.028 9 0 "[ . 1 . 2]" 1
50 1 14 PRO HB3 1 16 LEU MD1 . . 5.360 4.773 3.929 5.413 0.053 8 0 "[ . 1 . 2]" 1
51 1 14 PRO HB3 1 117 LYS HG3 . . 6.650 4.668 2.584 6.656 0.006 7 0 "[ . 1 . 2]" 1
52 1 9 ASN HB3 1 28 GLN HG3 . . 7.000 4.353 2.587 5.882 . 0 0 "[ . 1 . 2]" 1
53 1 15 VAL HB 1 16 LEU H . . 5.480 3.886 3.259 4.410 . 0 0 "[ . 1 . 2]" 1
54 1 16 LEU H 1 17 ALA HA . . 5.110 5.126 4.711 5.220 0.110 13 0 "[ . 1 . 2]" 1
55 1 19 LEU HA 1 20 GLY HA2 . . 4.640 4.410 4.371 4.544 . 0 0 "[ . 1 . 2]" 1
56 1 20 GLY HA2 1 90 ASN HB2 . . 7.250 3.695 2.613 4.907 . 0 0 "[ . 1 . 2]" 1
57 1 19 LEU HB3 1 20 GLY HA2 . . 7.250 5.287 4.663 6.077 . 0 0 "[ . 1 . 2]" 1
58 1 20 GLY HA2 1 91 VAL MG2 . . 8.620 5.891 3.666 6.870 . 0 0 "[ . 1 . 2]" 1
59 1 20 GLY HA2 1 90 ASN HA . . 4.460 2.377 1.790 3.080 . 0 0 "[ . 1 . 2]" 1
60 1 19 LEU HA 1 20 GLY HA3 . . 4.640 4.415 4.389 4.477 . 0 0 "[ . 1 . 2]" 1
61 1 20 GLY HA3 1 90 ASN HB2 . . 7.250 5.211 3.966 6.414 . 0 0 "[ . 1 . 2]" 1
62 1 19 LEU HB3 1 20 GLY HA3 . . 7.250 4.513 4.170 5.785 . 0 0 "[ . 1 . 2]" 1
63 1 20 GLY HA3 1 91 VAL MG2 . . 8.620 6.745 4.716 7.513 . 0 0 "[ . 1 . 2]" 1
64 1 20 GLY HA2 1 91 VAL H . . 5.280 3.684 2.149 4.173 . 0 0 "[ . 1 . 2]" 1
65 1 20 GLY HA3 1 91 VAL H . . 5.280 4.940 3.700 5.290 0.010 8 0 "[ . 1 . 2]" 1
66 1 22 ASN HB2 1 87 ARG HG2 . . 7.110 4.524 3.075 6.741 . 0 0 "[ . 1 . 2]" 1
67 1 22 ASN HB3 1 87 ARG HG2 . . 7.110 5.256 3.824 6.954 . 0 0 "[ . 1 . 2]" 1
68 1 22 ASN HB3 1 23 LEU H . . 4.380 4.162 3.510 4.388 0.008 2 0 "[ . 1 . 2]" 1
69 1 22 ASN HB2 1 23 LEU H . . 4.380 3.664 2.782 4.531 0.151 18 0 "[ . 1 . 2]" 1
70 1 24 GLU HB3 1 85 THR MG . . 4.520 3.051 2.409 4.350 . 0 0 "[ . 1 . 2]" 1
71 1 24 GLU HG2 1 87 ARG HB2 . . 5.360 4.397 3.260 5.409 0.049 10 0 "[ . 1 . 2]" 1
72 1 24 GLU HG2 1 87 ARG HB3 . . 5.360 5.259 4.479 5.422 0.062 2 0 "[ . 1 . 2]" 1
73 1 24 GLU HG2 1 87 ARG HG2 . . 5.300 4.306 3.077 5.310 0.010 9 0 "[ . 1 . 2]" 1
74 1 24 GLU HG2 1 85 THR MG . . 4.410 2.607 2.068 3.379 . 0 0 "[ . 1 . 2]" 1
75 1 24 GLU HG3 1 85 THR MG . . 4.410 3.863 2.741 4.368 . 0 0 "[ . 1 . 2]" 1
76 1 24 GLU HG3 1 87 ARG HG2 . . 5.300 3.225 1.905 4.123 . 0 0 "[ . 1 . 2]" 1
77 1 24 GLU HG3 1 75 LEU MD2 . . 8.630 5.768 3.910 6.823 . 0 0 "[ . 1 . 2]" 1
78 1 24 GLU HG2 1 75 LEU MD2 . . 8.630 5.013 3.069 6.121 . 0 0 "[ . 1 . 2]" 1
79 1 24 GLU H 1 24 GLU HG2 . . 5.500 4.586 4.364 4.732 . 0 0 "[ . 1 . 2]" 1
80 1 24 GLU H 1 24 GLU HG3 . . 5.500 3.780 3.139 4.627 . 0 0 "[ . 1 . 2]" 1
81 1 26 SER HA 1 85 THR MG . . 4.970 3.041 2.540 4.298 . 0 0 "[ . 1 . 2]" 1
82 1 26 SER HA 1 86 LEU H . . 5.180 3.691 3.272 4.051 . 0 0 "[ . 1 . 2]" 1
83 1 9 ASN HB3 1 28 GLN HG2 . . 7.000 4.112 2.180 5.959 . 0 0 "[ . 1 . 2]" 1
84 1 90 ASN HA 1 91 VAL HB . . 5.000 4.927 4.625 5.135 0.135 7 0 "[ . 1 . 2]" 1
85 1 34 GLN HA 1 35 ALA MB . . 4.770 3.840 3.683 3.979 . 0 0 "[ . 1 . 2]" 1
86 1 34 GLN HA 1 80 GLY HA3 . . 4.660 4.425 3.291 4.710 0.050 10 0 "[ . 1 . 2]" 1
87 1 34 GLN HA 1 35 ALA H . . 3.320 3.377 3.222 3.451 0.131 19 0 "[ . 1 . 2]" 1
88 1 34 GLN HA 1 36 GLN H . . 4.940 4.448 4.224 4.838 . 0 0 "[ . 1 . 2]" 1
89 1 34 GLN H 1 34 GLN HG2 . . 4.690 2.656 1.395 4.711 0.021 20 0 "[ . 1 . 2]" 1
90 1 34 GLN H 1 34 GLN HG3 . . 4.690 3.523 1.529 4.219 . 0 0 "[ . 1 . 2]" 1
91 1 34 GLN HG3 1 36 GLN H . . 5.130 3.368 1.744 5.138 0.008 8 0 "[ . 1 . 2]" 1
92 1 34 GLN HG2 1 36 GLN H . . 5.130 3.026 1.553 5.157 0.027 8 0 "[ . 1 . 2]" 1
93 1 37 HIS HA 1 56 ASP HA . . 5.390 3.331 2.216 5.270 . 0 0 "[ . 1 . 2]" 1
94 1 39 GLU HA 1 55 ARG HA . . 4.170 2.500 1.987 3.185 . 0 0 "[ . 1 . 2]" 1
95 1 39 GLU HG2 1 40 ILE H . . 5.050 4.047 2.858 4.652 . 0 0 "[ . 1 . 2]" 1
96 1 39 GLU HG3 1 53 LEU MD1 . . 5.650 3.463 1.736 4.886 . 0 0 "[ . 1 . 2]" 1
97 1 39 GLU HG3 1 55 ARG HG3 . . 6.750 3.959 1.793 5.605 . 0 0 "[ . 1 . 2]" 1
98 1 39 GLU HG3 1 55 ARG HB3 . . 6.260 3.555 1.798 4.959 . 0 0 "[ . 1 . 2]" 1
99 1 39 GLU HG3 1 55 ARG HD2 . . 6.100 4.380 2.074 6.168 0.068 12 0 "[ . 1 . 2]" 1
100 1 39 GLU HG3 1 40 ILE H . . 5.050 4.291 3.349 4.905 . 0 0 "[ . 1 . 2]" 1
101 1 43 PHE HA 1 88 ILE MD . . 4.080 3.943 3.558 4.155 0.075 11 0 "[ . 1 . 2]" 1
102 1 103 PHE HB3 1 103 PHE HE2 . . 5.500 4.874 4.555 5.321 . 0 0 "[ . 1 . 2]" 1
103 1 54 TYR HA 1 55 ARG H . . 3.430 2.205 2.133 2.344 . 0 0 "[ . 1 . 2]" 1
104 1 55 ARG HD3 1 56 ASP HB3 . . 7.250 5.534 3.090 6.727 . 0 0 "[ . 1 . 2]" 1
105 1 55 ARG HG3 1 56 ASP HB3 . . 5.500 4.264 2.985 5.561 0.061 20 0 "[ . 1 . 2]" 1
106 1 57 GLY HA2 1 58 LYS HG2 . . 7.250 6.289 4.618 7.314 0.064 15 0 "[ . 1 . 2]" 1
107 1 57 GLY HA3 1 58 LYS HG2 . . 7.250 5.828 3.768 7.257 0.007 8 0 "[ . 1 . 2]" 1
108 1 61 PHE HA 1 64 ILE HB . . 5.080 3.638 2.075 5.108 0.028 17 0 "[ . 1 . 2]" 1
109 1 61 PHE HA 1 64 ILE MD . . 4.340 3.304 1.791 4.084 . 0 0 "[ . 1 . 2]" 1
110 1 53 LEU MD2 1 63 GLU HB2 . . 6.740 4.904 3.311 6.781 0.041 11 0 "[ . 1 . 2]" 1
111 1 53 LEU MD1 1 63 GLU HB2 . . 6.740 6.128 4.307 6.768 0.028 18 0 "[ . 1 . 2]" 1
112 1 53 LEU MD2 1 63 GLU HB3 . . 6.740 4.367 3.280 5.595 . 0 0 "[ . 1 . 2]" 1
113 1 68 TYR HA 1 68 TYR QE . . 5.240 4.477 4.345 4.818 . 0 0 "[ . 1 . 2]" 1
114 1 73 GLU HB3 1 75 LEU MD1 . . 8.020 4.180 2.890 6.027 . 0 0 "[ . 1 . 2]" 1
115 1 73 GLU HB2 1 75 LEU MD1 . . 8.020 4.585 2.519 6.977 . 0 0 "[ . 1 . 2]" 1
116 1 73 GLU HB2 1 87 ARG HB3 . . 5.030 3.429 2.063 4.993 . 0 0 "[ . 1 . 2]" 1
117 1 73 GLU HB2 1 87 ARG HB2 . . 5.030 3.540 2.261 5.075 0.045 9 0 "[ . 1 . 2]" 1
118 1 73 GLU HB3 1 74 LEU H . . 5.500 3.958 3.208 4.517 . 0 0 "[ . 1 . 2]" 1
119 1 73 GLU HB2 1 74 LEU H . . 5.500 4.202 3.193 4.630 . 0 0 "[ . 1 . 2]" 1
120 1 73 GLU HG2 1 74 LEU H . . 5.500 4.742 3.701 5.417 . 0 0 "[ . 1 . 2]" 1
121 1 73 GLU HG2 1 87 ARG HB3 . . 5.500 4.203 2.156 5.047 . 0 0 "[ . 1 . 2]" 1
122 1 73 GLU HA 1 73 GLU HG3 . . 4.230 3.174 2.107 4.212 . 0 0 "[ . 1 . 2]" 1
123 1 73 GLU HG3 1 87 ARG HB2 . . 5.500 4.186 1.644 5.550 0.050 19 0 "[ . 1 . 2]" 1
124 1 73 GLU HG3 1 87 ARG HB3 . . 5.500 4.251 2.096 5.519 0.019 14 0 "[ . 1 . 2]" 1
125 1 73 GLU HG3 1 75 LEU MD1 . . 7.480 4.362 2.672 6.449 . 0 0 "[ . 1 . 2]" 1
126 1 73 GLU HG3 1 74 LEU H . . 5.500 4.291 2.674 5.568 0.068 6 0 "[ . 1 . 2]" 1
127 1 77 ASP HA 1 79 ILE MG . . 5.160 4.248 3.593 4.790 . 0 0 "[ . 1 . 2]" 1
128 1 76 LYS HB2 1 77 ASP HA . . 5.220 4.955 4.262 5.341 0.121 5 0 "[ . 1 . 2]" 1
129 1 76 LYS HB3 1 77 ASP HA . . 5.220 4.457 3.892 5.274 0.054 20 0 "[ . 1 . 2]" 1
130 1 77 ASP HA 1 79 ILE H . . 5.080 3.851 3.514 4.102 . 0 0 "[ . 1 . 2]" 1
131 1 75 LEU MD1 1 77 ASP HB3 . . 8.610 5.529 3.303 7.478 . 0 0 "[ . 1 . 2]" 1
132 1 75 LEU MD1 1 77 ASP HB2 . . 8.610 4.993 2.339 6.569 . 0 0 "[ . 1 . 2]" 1
133 1 77 ASP HB2 1 78 GLY H . . 5.200 3.503 2.739 4.306 . 0 0 "[ . 1 . 2]" 1
134 1 77 ASP HB3 1 78 GLY H . . 5.200 3.200 2.653 3.944 . 0 0 "[ . 1 . 2]" 1
135 1 78 GLY HA3 1 83 LYS HB2 . . 5.110 2.527 1.713 3.360 . 0 0 "[ . 1 . 2]" 1
136 1 78 GLY HA3 1 83 LYS HB3 . . 5.110 3.216 2.718 3.902 . 0 0 "[ . 1 . 2]" 1
137 1 78 GLY HA2 1 83 LYS HB3 . . 5.110 4.606 4.145 5.142 0.032 1 0 "[ . 1 . 2]" 1
138 1 78 GLY HA2 1 83 LYS HB2 . . 5.110 3.444 2.765 4.139 . 0 0 "[ . 1 . 2]" 1
139 1 34 GLN HA 1 80 GLY HA2 . . 4.660 2.915 1.827 3.430 . 0 0 "[ . 1 . 2]" 1
140 1 34 GLN HG2 1 80 GLY HA2 . . 7.250 5.130 2.727 6.124 . 0 0 "[ . 1 . 2]" 1
141 1 34 GLN HG3 1 80 GLY HA2 . . 7.250 4.842 1.796 6.153 . 0 0 "[ . 1 . 2]" 1
142 1 34 GLN HB2 1 80 GLY HA2 . . 5.370 3.250 2.234 4.353 . 0 0 "[ . 1 . 2]" 1
143 1 34 GLN HB3 1 80 GLY HA2 . . 5.370 3.817 2.391 4.670 . 0 0 "[ . 1 . 2]" 1
144 1 34 GLN HB3 1 80 GLY HA3 . . 5.370 4.811 3.297 5.436 0.066 16 0 "[ . 1 . 2]" 1
145 1 34 GLN HB2 1 80 GLY HA3 . . 5.370 4.319 3.606 5.454 0.084 8 0 "[ . 1 . 2]" 1
146 1 82 GLY HA3 1 83 LYS HD3 . . 5.850 4.752 3.605 5.618 . 0 0 "[ . 1 . 2]" 1
147 1 29 LEU HB2 1 82 GLY HA3 . . 6.710 4.345 2.445 5.765 . 0 0 "[ . 1 . 2]" 1
148 1 29 LEU HG 1 82 GLY HA3 . . 5.390 4.644 2.657 5.482 0.092 3 0 "[ . 1 . 2]" 1
149 1 29 LEU QD 1 82 GLY HA3 . . 7.600 3.388 2.359 4.463 . 0 0 "[ . 1 . 2]" 1
150 1 82 GLY HA2 1 83 LYS HD3 . . 5.850 5.326 4.407 5.901 0.051 14 0 "[ . 1 . 2]" 1
151 1 29 LEU HB2 1 82 GLY HA2 . . 6.710 4.279 2.265 5.871 . 0 0 "[ . 1 . 2]" 1
152 1 29 LEU HG 1 82 GLY HA2 . . 5.390 4.253 2.419 5.409 0.019 12 0 "[ . 1 . 2]" 1
153 1 29 LEU HB3 1 82 GLY HA2 . . 6.710 4.521 2.487 5.943 . 0 0 "[ . 1 . 2]" 1
154 1 29 LEU QD 1 82 GLY HA2 . . 7.600 2.961 1.589 4.832 . 0 0 "[ . 1 . 2]" 1
155 1 29 LEU H 1 82 GLY HA2 . . 5.500 3.806 3.538 4.366 . 0 0 "[ . 1 . 2]" 1
156 1 29 LEU H 1 82 GLY HA3 . . 5.500 3.205 2.782 3.556 . 0 0 "[ . 1 . 2]" 1
157 1 81 GLU H 1 81 GLU HG2 . . 4.540 3.918 2.856 4.504 . 0 0 "[ . 1 . 2]" 1
158 1 81 GLU H 1 81 GLU HG3 . . 4.540 3.451 1.812 4.495 . 0 0 "[ . 1 . 2]" 1
159 1 84 VAL HB 1 85 THR H . . 4.510 3.276 2.944 3.696 . 0 0 "[ . 1 . 2]" 1
160 1 74 LEU MD2 1 84 VAL HB . . 4.620 4.249 3.442 4.645 0.025 15 0 "[ . 1 . 2]" 1
161 1 26 SER HA 1 85 THR HA . . 4.190 2.525 2.256 2.802 . 0 0 "[ . 1 . 2]" 1
162 1 89 PHE HA 1 90 ASN HA . . 5.470 4.362 4.322 4.448 . 0 0 "[ . 1 . 2]" 1
163 1 89 PHE HB2 1 90 ASN H . . 4.890 4.289 4.045 4.494 . 0 0 "[ . 1 . 2]" 1
164 1 109 TYR HB2 1 110 GLU H . . 5.000 2.980 2.646 3.685 . 0 0 "[ . 1 . 2]" 1
165 1 89 PHE HB3 1 90 ASN H . . 4.890 3.601 2.759 4.379 . 0 0 "[ . 1 . 2]" 1
166 1 20 GLY HA3 1 90 ASN HA . . 4.460 3.923 3.410 4.489 0.029 20 0 "[ . 1 . 2]" 1
167 1 19 LEU HA 1 90 ASN HA . . 5.500 5.104 4.175 5.549 0.049 8 0 "[ . 1 . 2]" 1
168 1 22 ASN HA 1 90 ASN HA . . 5.350 5.039 4.242 5.413 0.063 1 0 "[ . 1 . 2]" 1
169 1 90 ASN HA 1 91 VAL H . . 3.480 2.320 2.069 2.598 . 0 0 "[ . 1 . 2]" 1
170 1 90 ASN HB2 1 92 THR MG . . 5.500 5.445 4.758 5.578 0.078 11 0 "[ . 1 . 2]" 1
171 1 90 ASN HB2 1 91 VAL H . . 5.350 4.476 3.416 4.634 . 0 0 "[ . 1 . 2]" 1
172 1 90 ASN HB3 1 92 THR MG . . 5.500 4.833 4.067 5.587 0.087 7 0 "[ . 1 . 2]" 1
173 1 90 ASN HB3 1 91 VAL H . . 5.350 4.417 4.206 4.528 . 0 0 "[ . 1 . 2]" 1
174 1 91 VAL HB 1 118 ILE MD . . 3.980 3.400 2.163 4.042 0.062 4 0 "[ . 1 . 2]" 1
175 1 20 GLY H 1 91 VAL HB . . 5.040 4.472 3.256 5.127 0.087 16 0 "[ . 1 . 2]" 1
176 1 91 VAL HB 1 92 THR H . . 4.350 3.999 3.406 4.206 . 0 0 "[ . 1 . 2]" 1
177 1 93 VAL HB 1 94 ASP H . . 5.350 3.884 2.879 4.129 . 0 0 "[ . 1 . 2]" 1
178 1 19 LEU MD2 1 93 VAL HB . . 4.560 3.961 2.440 4.590 0.030 12 0 "[ . 1 . 2]" 1
179 1 19 LEU MD1 1 93 VAL HB . . 4.560 2.912 1.674 4.442 . 0 0 "[ . 1 . 2]" 1
180 1 94 ASP H 1 94 ASP HB2 . . 4.010 2.550 2.073 3.622 . 0 0 "[ . 1 . 2]" 1
181 1 94 ASP HB2 1 95 ASP H . . 5.500 3.688 2.667 4.268 . 0 0 "[ . 1 . 2]" 1
182 1 94 ASP H 1 94 ASP HB3 . . 4.010 2.798 2.113 3.597 . 0 0 "[ . 1 . 2]" 1
183 1 94 ASP HB3 1 95 ASP H . . 5.500 3.013 2.367 4.269 . 0 0 "[ . 1 . 2]" 1
184 1 81 GLU HB3 1 83 LYS HE2 . . 6.490 4.075 2.133 6.190 . 0 0 "[ . 1 . 2]" 1
185 1 81 GLU HB2 1 83 LYS HE2 . . 6.490 4.404 3.418 6.184 . 0 0 "[ . 1 . 2]" 1
186 1 96 ASP HB3 1 97 GLY H . . 4.940 3.897 3.203 4.561 . 0 0 "[ . 1 . 2]" 1
187 1 96 ASP HB2 1 118 ILE HB . . 4.920 2.729 1.623 4.844 . 0 0 "[ . 1 . 2]" 1
188 1 96 ASP HB2 1 97 GLY H . . 4.940 4.521 4.269 4.653 . 0 0 "[ . 1 . 2]" 1
189 1 25 LEU MD2 1 99 TYR HB3 . . 7.890 3.930 2.936 5.480 . 0 0 "[ . 1 . 2]" 1
190 1 100 HIS HA 1 114 THR H . . 5.500 3.462 2.881 4.182 . 0 0 "[ . 1 . 2]" 1
191 1 40 ILE MD 1 103 PHE HA . . 5.120 4.990 4.019 5.212 0.092 12 0 "[ . 1 . 2]" 1
192 1 40 ILE MG 1 103 PHE HA . . 5.340 4.596 3.167 5.384 0.044 11 0 "[ . 1 . 2]" 1
193 1 104 LYS HB3 1 109 TYR HB3 . . 7.020 3.436 1.941 5.244 . 0 0 "[ . 1 . 2]" 1
194 1 103 PHE HB2 1 104 LYS HG3 . . 6.570 5.859 4.997 6.589 0.019 11 0 "[ . 1 . 2]" 1
195 1 102 VAL MG2 1 103 PHE HB2 . . 7.930 6.060 4.856 6.644 . 0 0 "[ . 1 . 2]" 1
196 1 109 TYR HB3 1 110 GLU H . . 5.000 4.021 3.552 4.381 . 0 0 "[ . 1 . 2]" 1
197 1 103 PHE HB3 1 104 LYS HG3 . . 6.570 5.719 5.159 6.434 . 0 0 "[ . 1 . 2]" 1
198 1 8 VAL MG2 1 103 PHE HB3 . . 8.310 4.756 2.853 6.271 . 0 0 "[ . 1 . 2]" 1
199 1 8 VAL MG2 1 103 PHE HB2 . . 8.310 3.892 2.735 5.394 . 0 0 "[ . 1 . 2]" 1
200 1 29 LEU QD 1 103 PHE HB2 . . 8.390 3.133 1.897 4.259 . 0 0 "[ . 1 . 2]" 1
201 1 29 LEU QD 1 103 PHE HB3 . . 8.390 2.870 2.162 3.714 . 0 0 "[ . 1 . 2]" 1
202 1 6 PHE QD 1 108 PHE HA . . 5.300 4.659 3.746 5.291 . 0 0 "[ . 1 . 2]" 1
203 1 102 VAL MG2 1 103 PHE HB3 . . 7.930 6.762 5.303 7.101 . 0 0 "[ . 1 . 2]" 1
204 1 103 PHE HB3 1 103 PHE HE1 . . 5.100 5.145 4.695 5.456 0.356 17 0 "[ . 1 . 2]" 1
205 1 15 VAL HB 1 116 VAL HA . . 4.280 3.392 2.012 4.316 0.036 18 0 "[ . 1 . 2]" 1
206 1 16 LEU HA 1 116 VAL HA . . 5.470 4.861 4.351 5.528 0.058 15 0 "[ . 1 . 2]" 1
207 1 116 VAL HA 1 117 LYS H . . 3.560 2.238 2.143 2.308 . 0 0 "[ . 1 . 2]" 1
208 1 15 VAL H 1 116 VAL HA . . 4.650 3.543 2.795 4.495 . 0 0 "[ . 1 . 2]" 1
209 1 99 TYR QE 1 116 VAL HB . . 5.080 3.823 1.768 5.033 . 0 0 "[ . 1 . 2]" 1
210 1 23 LEU MD2 1 116 VAL MG2 . . 6.220 3.130 1.958 4.631 . 0 0 "[ . 1 . 2]" 1
211 1 40 ILE HA 1 103 PHE HA . . 5.080 2.640 2.263 3.096 . 0 0 "[ . 1 . 2]" 1
212 1 8 VAL MG2 1 29 LEU QD . . 7.570 3.224 1.729 4.889 . 0 0 "[ . 1 . 2]" 1
213 1 40 ILE MD 1 74 LEU MD1 . . 4.750 2.407 1.978 2.983 . 0 0 "[ . 1 . 2]" 1
214 1 40 ILE MD 1 74 LEU MD2 . . 4.750 2.698 1.611 4.103 . 0 0 "[ . 1 . 2]" 1
215 1 40 ILE MD 1 43 PHE HZ . . 5.300 5.195 4.428 5.392 0.092 7 0 "[ . 1 . 2]" 1
216 1 6 PHE HE2 1 29 LEU QD . . 4.910 2.990 1.267 5.723 0.813 19 2 "[ . 1 .- +2]" 1
217 1 41 ARG HB2 1 53 LEU MD1 . . 8.000 4.620 2.625 7.591 . 0 0 "[ . 1 . 2]" 1
218 1 41 ARG HG2 1 102 VAL HB . . 5.180 3.423 2.161 4.896 . 0 0 "[ . 1 . 2]" 1
219 1 41 ARG HG3 1 102 VAL HB . . 5.180 3.665 1.598 5.196 0.016 5 0 "[ . 1 . 2]" 1
220 1 53 LEU HG 1 55 ARG HB2 . . 5.440 4.381 3.028 5.490 0.050 3 0 "[ . 1 . 2]" 1
221 1 39 GLU HG2 1 53 LEU HG . . 5.500 3.894 2.587 5.051 . 0 0 "[ . 1 . 2]" 1
222 1 39 GLU HG3 1 53 LEU HG . . 5.500 4.952 3.928 5.557 0.057 7 0 "[ . 1 . 2]" 1
223 1 53 LEU HG 1 55 ARG H . . 5.500 4.319 2.948 5.559 0.059 15 0 "[ . 1 . 2]" 1
224 1 53 LEU HG 1 54 TYR H . . 5.390 3.326 2.220 4.752 . 0 0 "[ . 1 . 2]" 1
225 1 41 ARG HB3 1 53 LEU MD1 . . 8.000 5.078 2.879 7.043 . 0 0 "[ . 1 . 2]" 1
226 1 53 LEU MD1 1 55 ARG HD2 . . 6.720 4.741 2.485 6.758 0.038 2 0 "[ . 1 . 2]" 1
227 1 39 GLU HG3 1 53 LEU MD2 . . 5.650 4.598 3.354 5.702 0.052 10 0 "[ . 1 . 2]" 1
228 1 53 LEU MD2 1 55 ARG HD3 . . 6.720 4.734 3.081 6.080 . 0 0 "[ . 1 . 2]" 1
229 1 40 ILE H 1 55 ARG HA . . 5.060 3.366 2.823 3.956 . 0 0 "[ . 1 . 2]" 1
230 1 53 LEU MD1 1 55 ARG HB3 . . 7.250 3.579 1.841 5.774 . 0 0 "[ . 1 . 2]" 1
231 1 53 LEU MD2 1 55 ARG HB3 . . 7.250 3.748 2.016 5.047 . 0 0 "[ . 1 . 2]" 1
232 1 39 GLU HG2 1 55 ARG HB3 . . 6.260 3.411 1.680 6.122 . 0 0 "[ . 1 . 2]" 1
233 1 39 GLU HB2 1 55 ARG HB3 . . 6.360 5.542 3.868 6.452 0.092 8 0 "[ . 1 . 2]" 1
234 1 39 GLU HG3 1 55 ARG HB2 . . 6.260 2.677 1.676 3.655 . 0 0 "[ . 1 . 2]" 1
235 1 39 GLU HA 1 55 ARG HB2 . . 5.500 3.630 1.842 4.609 . 0 0 "[ . 1 . 2]" 1
236 1 39 GLU HA 1 55 ARG HB3 . . 5.500 4.338 3.202 5.482 . 0 0 "[ . 1 . 2]" 1
237 1 53 LEU HG 1 55 ARG HB3 . . 5.440 3.854 2.589 5.123 . 0 0 "[ . 1 . 2]" 1
238 1 39 GLU HB3 1 55 ARG HB3 . . 6.360 5.103 2.712 6.402 0.042 18 0 "[ . 1 . 2]" 1
239 1 39 GLU HB3 1 55 ARG HB2 . . 6.360 4.527 3.697 5.912 . 0 0 "[ . 1 . 2]" 1
240 1 55 ARG HG2 1 56 ASP HB3 . . 5.500 4.304 2.633 5.510 0.010 17 0 "[ . 1 . 2]" 1
241 1 39 GLU HG3 1 55 ARG HG2 . . 6.750 4.626 3.439 5.506 . 0 0 "[ . 1 . 2]" 1
242 1 55 ARG HG3 1 56 ASP HB2 . . 5.500 3.807 2.106 5.069 . 0 0 "[ . 1 . 2]" 1
243 1 55 ARG HG2 1 56 ASP HB2 . . 5.500 4.055 2.243 5.629 0.129 12 0 "[ . 1 . 2]" 1
244 1 39 GLU HG2 1 55 ARG HD2 . . 6.100 4.500 2.929 6.132 0.032 3 0 "[ . 1 . 2]" 1
245 1 55 ARG HD3 1 56 ASP HB2 . . 7.250 5.123 2.868 7.093 . 0 0 "[ . 1 . 2]" 1
246 1 64 ILE HA 1 65 ILE MG . . 4.010 3.904 3.383 4.104 0.094 17 0 "[ . 1 . 2]" 1
247 1 64 ILE H 1 64 ILE HB . . 4.050 2.970 2.512 3.718 . 0 0 "[ . 1 . 2]" 1
248 1 64 ILE HB 1 65 ILE H . . 5.500 4.476 4.092 4.629 . 0 0 "[ . 1 . 2]" 1
249 1 16 LEU HA 1 17 ALA H . . 3.490 2.171 2.108 2.274 . 0 0 "[ . 1 . 2]" 1
250 1 16 LEU HA 1 117 LYS H . . 4.570 2.943 2.535 3.427 . 0 0 "[ . 1 . 2]" 1
251 1 16 LEU HA 1 117 LYS HB3 . . 4.930 3.565 2.395 4.695 . 0 0 "[ . 1 . 2]" 1
252 1 16 LEU HA 1 117 LYS HB2 . . 4.930 2.653 1.715 4.516 . 0 0 "[ . 1 . 2]" 1
253 1 16 LEU HA 1 17 ALA MB . . 5.080 3.930 3.750 4.096 . 0 0 "[ . 1 . 2]" 1
254 1 16 LEU HA 1 119 THR MG . . 5.140 4.652 3.351 5.188 0.048 13 0 "[ . 1 . 2]" 1
255 1 16 LEU HB2 1 119 THR MG . . 5.060 4.820 3.758 5.133 0.073 20 0 "[ . 1 . 2]" 1
256 1 16 LEU HB3 1 119 THR MG . . 5.060 3.536 2.439 4.100 . 0 0 "[ . 1 . 2]" 1
257 1 16 LEU HB2 1 17 ALA H . . 5.350 4.084 3.392 4.433 . 0 0 "[ . 1 . 2]" 1
258 1 16 LEU HB3 1 17 ALA H . . 5.350 3.460 2.929 3.942 . 0 0 "[ . 1 . 2]" 1
259 1 15 VAL HA 1 16 LEU HG . . 5.460 4.142 3.127 5.634 0.174 15 0 "[ . 1 . 2]" 1
260 1 16 LEU H 1 16 LEU HG . . 3.980 2.663 1.872 3.997 0.017 4 0 "[ . 1 . 2]" 1
261 1 16 LEU H 1 16 LEU MD1 . . 4.550 2.788 2.192 3.301 . 0 0 "[ . 1 . 2]" 1
262 1 16 LEU MD2 1 117 LYS HE2 . . 7.950 4.631 2.046 7.973 0.023 4 0 "[ . 1 . 2]" 1
263 1 16 LEU H 1 16 LEU MD2 . . 4.550 3.572 1.681 4.240 . 0 0 "[ . 1 . 2]" 1
264 1 19 LEU HA 1 118 ILE MG . . 3.650 3.442 2.879 3.686 0.036 1 0 "[ . 1 . 2]" 1
265 1 19 LEU HA 1 118 ILE MD . . 4.820 3.418 2.404 4.588 . 0 0 "[ . 1 . 2]" 1
266 1 19 LEU HA 1 91 VAL HB . . 4.840 4.400 2.792 4.944 0.104 10 0 "[ . 1 . 2]" 1
267 1 18 SER H 1 19 LEU HA . . 4.850 4.983 4.846 5.145 0.295 5 0 "[ . 1 . 2]" 1
268 1 19 LEU HA 1 21 GLY H . . 5.250 3.354 3.094 3.577 . 0 0 "[ . 1 . 2]" 1
269 1 19 LEU HA 1 20 GLY H . . 3.230 2.160 2.124 2.317 . 0 0 "[ . 1 . 2]" 1
270 1 19 LEU HG 1 118 ILE MG . . 4.290 3.320 1.554 4.105 . 0 0 "[ . 1 . 2]" 1
271 1 19 LEU H 1 19 LEU HG . . 4.250 3.921 2.280 4.399 0.149 18 0 "[ . 1 . 2]" 1
272 1 19 LEU HG 1 20 GLY H . . 5.310 3.406 2.679 4.761 . 0 0 "[ . 1 . 2]" 1
273 1 19 LEU MD1 1 93 VAL H . . 4.960 2.942 1.740 4.793 . 0 0 "[ . 1 . 2]" 1
274 1 19 LEU MD1 1 20 GLY H . . 5.140 4.428 3.052 5.162 0.022 1 0 "[ . 1 . 2]" 1
275 1 19 LEU MD2 1 93 VAL H . . 4.960 3.507 2.371 4.706 . 0 0 "[ . 1 . 2]" 1
276 1 19 LEU MD2 1 20 GLY H . . 5.140 3.377 2.397 4.886 . 0 0 "[ . 1 . 2]" 1
277 1 28 GLN H 1 29 LEU HA . . 5.500 4.889 4.739 5.079 . 0 0 "[ . 1 . 2]" 1
278 1 29 LEU H 1 29 LEU HG . . 4.790 3.634 1.915 4.796 0.006 13 0 "[ . 1 . 2]" 1
279 1 6 PHE HB3 1 29 LEU QD . . 8.640 5.125 3.516 7.179 . 0 0 "[ . 1 . 2]" 1
280 1 17 ALA MB 1 23 LEU HA . . 4.410 2.930 1.947 3.596 . 0 0 "[ . 1 . 2]" 1
281 1 23 LEU HA 1 24 GLU H . . 3.350 2.153 2.123 2.196 . 0 0 "[ . 1 . 2]" 1
282 1 23 LEU HA 1 88 ILE H . . 5.500 4.809 4.661 4.960 . 0 0 "[ . 1 . 2]" 1
283 1 23 LEU HB3 1 24 GLU H . . 5.500 4.290 3.831 4.524 . 0 0 "[ . 1 . 2]" 1
284 1 23 LEU MD1 1 25 LEU MD2 . . 7.230 2.257 1.704 3.078 . 0 0 "[ . 1 . 2]" 1
285 1 17 ALA MB 1 23 LEU MD1 . . 4.260 2.342 1.694 3.435 . 0 0 "[ . 1 . 2]" 1
286 1 23 LEU MD1 1 116 VAL MG1 . . 6.220 2.502 1.671 4.298 . 0 0 "[ . 1 . 2]" 1
287 1 65 ILE HB 1 67 LYS H . . 5.030 5.214 4.893 5.273 0.243 2 0 "[ . 1 . 2]" 1
288 1 74 LEU HG 1 84 VAL HB . . 4.390 4.289 3.543 4.424 0.034 7 0 "[ . 1 . 2]" 1
289 1 86 LEU MD2 1 88 ILE HG12 . . 6.490 3.605 3.116 4.408 . 0 0 "[ . 1 . 2]" 1
290 1 74 LEU MD1 1 84 VAL HB . . 4.620 3.325 2.425 4.356 . 0 0 "[ . 1 . 2]" 1
291 1 75 LEU HB3 1 76 LYS H . . 5.400 3.735 3.363 4.336 . 0 0 "[ . 1 . 2]" 1
292 1 75 LEU HB2 1 76 LYS H . . 5.400 4.430 4.202 4.576 . 0 0 "[ . 1 . 2]" 1
293 1 75 LEU H 1 75 LEU HG . . 4.430 3.555 2.125 4.504 0.074 7 0 "[ . 1 . 2]" 1
294 1 73 GLU HG2 1 75 LEU MD1 . . 7.480 4.530 2.045 7.122 . 0 0 "[ . 1 . 2]" 1
295 1 75 LEU MD1 1 87 ARG HD2 . . 4.880 3.367 2.008 4.907 0.027 13 0 "[ . 1 . 2]" 1
296 1 75 LEU MD1 1 87 ARG HD3 . . 4.880 3.663 2.023 4.903 0.023 18 0 "[ . 1 . 2]" 1
297 1 75 LEU H 1 75 LEU MD1 . . 5.050 3.047 1.985 4.331 . 0 0 "[ . 1 . 2]" 1
298 1 75 LEU MD2 1 87 ARG HD2 . . 4.880 3.829 2.204 4.961 0.081 11 0 "[ . 1 . 2]" 1
299 1 75 LEU H 1 75 LEU MD2 . . 5.050 3.680 2.336 4.307 . 0 0 "[ . 1 . 2]" 1
300 1 76 LYS HA 1 79 ILE MD . . 4.520 3.406 3.018 3.962 . 0 0 "[ . 1 . 2]" 1
301 1 76 LYS HA 1 79 ILE H . . 4.910 3.237 2.967 3.480 . 0 0 "[ . 1 . 2]" 1
302 1 76 LYS HB3 1 79 ILE MD . . 5.200 3.633 2.039 4.864 . 0 0 "[ . 1 . 2]" 1
303 1 76 LYS HB2 1 79 ILE MD . . 5.200 4.431 3.594 5.211 0.011 13 0 "[ . 1 . 2]" 1
304 1 76 LYS HB3 1 79 ILE MG . . 4.570 3.070 2.299 3.677 . 0 0 "[ . 1 . 2]" 1
305 1 76 LYS HB2 1 79 ILE MG . . 4.570 4.261 3.135 4.731 0.161 14 0 "[ . 1 . 2]" 1
306 1 76 LYS HG3 1 79 ILE MD . . 5.200 3.448 1.851 4.390 . 0 0 "[ . 1 . 2]" 1
307 1 76 LYS HG2 1 79 ILE MD . . 5.200 2.581 1.762 4.052 . 0 0 "[ . 1 . 2]" 1
308 1 74 LEU MD1 1 76 LYS HG3 . . 8.640 4.527 3.239 6.221 . 0 0 "[ . 1 . 2]" 1
309 1 76 LYS H 1 76 LYS HG3 . . 5.290 3.645 2.240 4.491 . 0 0 "[ . 1 . 2]" 1
310 1 76 LYS H 1 76 LYS HG2 . . 5.290 4.175 2.711 4.764 . 0 0 "[ . 1 . 2]" 1
311 1 74 LEU MD1 1 76 LYS HD2 . . 8.180 5.931 4.007 7.459 . 0 0 "[ . 1 . 2]" 1
312 1 74 LEU MD1 1 76 LYS HD3 . . 8.180 5.788 3.491 7.612 . 0 0 "[ . 1 . 2]" 1
313 1 76 LYS HD3 1 79 ILE MD . . 4.920 3.473 1.972 4.771 . 0 0 "[ . 1 . 2]" 1
314 1 76 LYS HD2 1 79 ILE MD . . 4.920 3.725 1.844 4.944 0.024 20 0 "[ . 1 . 2]" 1
315 1 74 LEU MD1 1 76 LYS HE2 . . 7.060 5.847 4.600 7.084 0.024 10 0 "[ . 1 . 2]" 1
316 1 74 LEU MD1 1 76 LYS HE3 . . 7.060 5.872 5.053 7.054 . 0 0 "[ . 1 . 2]" 1
317 1 79 ILE H 1 79 ILE HB . . 3.720 2.257 2.168 2.362 . 0 0 "[ . 1 . 2]" 1
318 1 79 ILE HB 1 80 GLY H . . 5.230 3.857 3.727 4.026 . 0 0 "[ . 1 . 2]" 1
319 1 35 ALA MB 1 79 ILE HG12 . . 4.630 2.329 1.529 3.732 . 0 0 "[ . 1 . 2]" 1
320 1 79 ILE HG12 1 84 VAL MG2 . . 7.850 5.469 3.800 6.846 . 0 0 "[ . 1 . 2]" 1
321 1 35 ALA MB 1 79 ILE HG13 . . 4.630 3.034 2.369 4.173 . 0 0 "[ . 1 . 2]" 1
322 1 79 ILE HG13 1 84 VAL MG2 . . 7.850 4.239 2.556 5.695 . 0 0 "[ . 1 . 2]" 1
323 1 28 GLN HA 1 83 LYS HA . . 4.220 2.494 2.267 2.721 . 0 0 "[ . 1 . 2]" 1
324 1 41 ARG HA 1 53 LEU HA . . 4.370 3.171 2.596 4.367 . 0 0 "[ . 1 . 2]" 1
325 1 29 LEU H 1 83 LYS HA . . 5.330 3.599 3.236 3.884 . 0 0 "[ . 1 . 2]" 1
326 1 28 GLN HG3 1 83 LYS HG3 . . 6.690 3.474 1.727 5.262 . 0 0 "[ . 1 . 2]" 1
327 1 28 GLN HB3 1 83 LYS HG3 . . 7.050 4.034 1.988 5.152 . 0 0 "[ . 1 . 2]" 1
328 1 28 GLN HB3 1 83 LYS HG2 . . 7.050 5.042 3.191 6.404 . 0 0 "[ . 1 . 2]" 1
329 1 28 GLN HG3 1 83 LYS HG2 . . 6.690 4.310 2.939 6.244 . 0 0 "[ . 1 . 2]" 1
330 1 83 LYS H 1 83 LYS HG3 . . 5.500 3.876 3.382 4.537 . 0 0 "[ . 1 . 2]" 1
331 1 83 LYS H 1 83 LYS HG2 . . 5.500 4.687 4.514 4.881 . 0 0 "[ . 1 . 2]" 1
332 1 83 LYS HG3 1 84 VAL H . . 5.500 4.079 3.393 4.512 . 0 0 "[ . 1 . 2]" 1
333 1 83 LYS HG2 1 84 VAL H . . 5.500 4.735 4.411 4.924 . 0 0 "[ . 1 . 2]" 1
334 1 96 ASP HB3 1 118 ILE HB . . 4.920 3.964 2.597 4.857 . 0 0 "[ . 1 . 2]" 1
335 1 86 LEU HG 1 88 ILE MD . . 3.630 2.496 2.038 3.524 . 0 0 "[ . 1 . 2]" 1
336 1 86 LEU HG 1 88 ILE MG . . 4.580 4.608 4.539 4.679 0.099 8 0 "[ . 1 . 2]" 1
337 1 86 LEU HG 1 88 ILE HG12 . . 4.900 3.428 2.945 4.703 . 0 0 "[ . 1 . 2]" 1
338 1 72 THR MG 1 86 LEU HG . . 3.910 3.433 2.907 4.013 0.103 7 0 "[ . 1 . 2]" 1
339 1 86 LEU HG 1 88 ILE H . . 4.540 4.022 3.473 4.444 . 0 0 "[ . 1 . 2]" 1
340 1 86 LEU HG 1 87 ARG H . . 4.270 3.675 3.204 3.948 . 0 0 "[ . 1 . 2]" 1
341 1 86 LEU MD1 1 88 ILE HG12 . . 6.490 3.697 3.266 4.294 . 0 0 "[ . 1 . 2]" 1
342 1 24 GLU HG3 1 87 ARG HA . . 4.880 2.771 2.075 4.474 . 0 0 "[ . 1 . 2]" 1
343 1 24 GLU HG2 1 87 ARG HA . . 4.880 3.719 2.788 4.373 . 0 0 "[ . 1 . 2]" 1
344 1 87 ARG HA 1 88 ILE H . . 3.520 2.165 2.138 2.191 . 0 0 "[ . 1 . 2]" 1
345 1 75 LEU MD2 1 87 ARG HB2 . . 7.530 4.441 2.431 6.289 . 0 0 "[ . 1 . 2]" 1
346 1 75 LEU MD2 1 87 ARG HB3 . . 7.530 5.551 3.593 7.322 . 0 0 "[ . 1 . 2]" 1
347 1 73 GLU HB3 1 87 ARG HB2 . . 5.030 3.331 1.870 5.054 0.024 5 0 "[ . 1 . 2]" 1
348 1 73 GLU HB3 1 87 ARG HB3 . . 5.030 3.513 1.991 5.069 0.039 7 0 "[ . 1 . 2]" 1
349 1 24 GLU HG3 1 87 ARG HB3 . . 5.360 4.418 3.903 5.247 . 0 0 "[ . 1 . 2]" 1
350 1 24 GLU HG3 1 87 ARG HB2 . . 5.360 4.043 2.650 5.080 . 0 0 "[ . 1 . 2]" 1
351 1 73 GLU HG2 1 87 ARG HB2 . . 5.500 4.282 2.108 5.606 0.106 20 0 "[ . 1 . 2]" 1
352 1 24 GLU HG2 1 87 ARG HG3 . . 5.300 2.858 1.819 3.823 . 0 0 "[ . 1 . 2]" 1
353 1 24 GLU HG3 1 87 ARG HG3 . . 5.300 1.992 1.483 2.898 . 0 0 "[ . 1 . 2]" 1
354 1 75 LEU MD2 1 87 ARG HD3 . . 4.880 4.279 2.935 4.913 0.033 10 0 "[ . 1 . 2]" 1
355 1 24 GLU HG3 1 87 ARG HD2 . . 5.300 3.570 2.397 5.315 0.015 18 0 "[ . 1 . 2]" 1
356 1 24 GLU HG3 1 87 ARG HD3 . . 5.300 4.300 3.412 5.306 0.006 1 0 "[ . 1 . 2]" 1
357 1 24 GLU HG2 1 87 ARG HD2 . . 5.300 3.578 2.383 5.311 0.011 18 0 "[ . 1 . 2]" 1
358 1 24 GLU HG2 1 87 ARG HD3 . . 5.300 4.570 3.034 5.326 0.026 5 0 "[ . 1 . 2]" 1
359 1 23 LEU H 1 88 ILE HB . . 5.050 4.027 3.431 4.624 . 0 0 "[ . 1 . 2]" 1
360 1 88 ILE HB 1 89 PHE H . . 5.440 4.374 4.202 4.532 . 0 0 "[ . 1 . 2]" 1
361 1 88 ILE H 1 88 ILE HG12 . . 5.500 4.268 3.905 4.699 . 0 0 "[ . 1 . 2]" 1
362 1 72 THR MG 1 88 ILE HG13 . . 4.530 2.543 1.814 3.270 . 0 0 "[ . 1 . 2]" 1
363 1 88 ILE H 1 88 ILE HG13 . . 5.500 3.149 2.608 3.940 . 0 0 "[ . 1 . 2]" 1
364 1 104 LYS HA 1 109 TYR HB2 . . 5.040 3.302 2.449 4.282 . 0 0 "[ . 1 . 2]" 1
365 1 104 LYS HA 1 109 TYR HB3 . . 5.040 3.051 2.546 4.548 . 0 0 "[ . 1 . 2]" 1
366 1 104 LYS HA 1 110 GLU H . . 5.310 3.741 3.477 4.041 . 0 0 "[ . 1 . 2]" 1
367 1 104 LYS HB3 1 109 TYR HB2 . . 7.020 4.086 2.435 5.838 . 0 0 "[ . 1 . 2]" 1
368 1 41 ARG HB3 1 104 LYS HD2 . . 7.050 6.202 4.381 7.090 0.040 9 0 "[ . 1 . 2]" 1
369 1 41 ARG HB3 1 104 LYS HD3 . . 7.050 6.441 5.163 7.109 0.059 10 0 "[ . 1 . 2]" 1
370 1 8 VAL MG2 1 110 GLU HB2 . . 8.090 3.470 2.515 5.526 . 0 0 "[ . 1 . 2]" 1
371 1 8 VAL MG2 1 110 GLU HB3 . . 8.090 2.535 1.579 5.344 . 0 0 "[ . 1 . 2]" 1
372 1 117 LYS HA 1 118 ILE MD . . 5.500 4.479 3.501 5.508 0.008 16 0 "[ . 1 . 2]" 1
373 1 117 LYS HA 1 118 ILE HB . . 5.240 4.445 4.118 4.711 . 0 0 "[ . 1 . 2]" 1
374 1 16 LEU MD2 1 117 LYS HB2 . . 7.290 2.993 1.907 4.731 . 0 0 "[ . 1 . 2]" 1
375 1 16 LEU MD2 1 117 LYS HB3 . . 7.290 3.221 1.898 5.480 . 0 0 "[ . 1 . 2]" 1
376 1 16 LEU MD2 1 117 LYS HE3 . . 7.950 4.644 2.534 7.497 . 0 0 "[ . 1 . 2]" 1
377 1 93 VAL HA 1 118 ILE HB . . 4.610 4.186 2.936 4.719 0.109 15 0 "[ . 1 . 2]" 1
378 1 13 GLY HA2 1 114 THR MG . . 5.500 3.963 2.602 5.277 . 0 0 "[ . 1 . 2]" 1
379 1 13 GLY HA2 1 15 VAL MG1 . . 7.740 5.256 3.432 7.532 . 0 0 "[ . 1 . 2]" 1
380 1 13 GLY HA2 1 15 VAL H . . 5.330 4.661 3.467 5.372 0.042 16 0 "[ . 1 . 2]" 1
381 1 13 GLY HA3 1 15 VAL MG1 . . 7.740 4.944 2.984 7.195 . 0 0 "[ . 1 . 2]" 1
382 1 13 GLY HA3 1 15 VAL H . . 5.330 4.467 3.621 5.317 . 0 0 "[ . 1 . 2]" 1
383 1 13 GLY HA3 1 114 THR MG . . 5.500 3.236 1.461 5.399 . 0 0 "[ . 1 . 2]" 1
384 1 14 PRO HB2 1 117 LYS HG3 . . 6.650 4.751 2.472 5.978 . 0 0 "[ . 1 . 2]" 1
385 1 14 PRO HB2 1 16 LEU MD1 . . 5.360 3.528 2.809 4.145 . 0 0 "[ . 1 . 2]" 1
386 1 14 PRO HB2 1 16 LEU MD2 . . 5.360 3.831 2.839 5.111 . 0 0 "[ . 1 . 2]" 1
387 1 14 PRO HG3 1 16 LEU MD2 . . 8.640 5.961 4.877 7.145 . 0 0 "[ . 1 . 2]" 1
388 1 14 PRO HG2 1 16 LEU MD2 . . 8.640 5.341 3.971 6.924 . 0 0 "[ . 1 . 2]" 1
389 1 23 LEU HB2 1 91 VAL MG1 . . 4.850 3.143 2.053 4.097 . 0 0 "[ . 1 . 2]" 1
390 1 23 LEU HB3 1 91 VAL MG1 . . 4.850 3.983 2.829 4.897 0.047 16 0 "[ . 1 . 2]" 1
391 1 23 LEU MD1 1 25 LEU HG . . 3.850 2.972 2.267 3.714 . 0 0 "[ . 1 . 2]" 1
392 1 86 LEU H 1 86 LEU HG . . 5.500 4.508 4.302 4.593 . 0 0 "[ . 1 . 2]" 1
393 1 103 PHE HB2 1 103 PHE HE1 . . 5.100 5.053 4.615 5.460 0.360 8 0 "[ . 1 . 2]" 1
394 1 23 LEU MD2 1 25 LEU MD2 . . 7.230 2.506 1.896 3.858 . 0 0 "[ . 1 . 2]" 1
395 1 25 LEU MD2 1 99 TYR HB2 . . 7.890 3.829 2.040 5.636 . 0 0 "[ . 1 . 2]" 1
396 1 86 LEU HG 1 88 ILE HG13 . . 4.900 2.075 1.722 3.094 . 0 0 "[ . 1 . 2]" 1
397 1 74 LEU MD1 1 76 LYS HB2 . . 8.520 5.695 4.638 7.198 . 0 0 "[ . 1 . 2]" 1
398 1 74 LEU MD1 1 79 ILE HG13 . . 8.640 7.211 6.026 8.531 . 0 0 "[ . 1 . 2]" 1
399 1 74 LEU MD1 1 79 ILE HG12 . . 8.640 7.806 7.103 8.664 0.024 14 0 "[ . 1 . 2]" 1
400 1 72 THR MG 1 88 ILE HG12 . . 4.530 1.935 1.543 2.538 . 0 0 "[ . 1 . 2]" 1
401 1 65 ILE MD 1 88 ILE HG13 . . 4.560 4.580 4.065 4.699 0.139 19 0 "[ . 1 . 2]" 1
402 1 65 ILE MD 1 88 ILE HG12 . . 4.560 4.062 2.933 4.614 0.054 1 0 "[ . 1 . 2]" 1
403 1 86 LEU MD1 1 88 ILE HG13 . . 6.490 2.962 2.657 3.473 . 0 0 "[ . 1 . 2]" 1
404 1 74 LEU HA 1 86 LEU HA . . 5.330 2.315 2.036 2.575 . 0 0 "[ . 1 . 2]" 1
405 1 74 LEU MD2 1 76 LYS HE3 . . 7.060 4.146 2.592 6.477 . 0 0 "[ . 1 . 2]" 1
406 1 76 LYS HA 1 79 ILE MG . . 4.500 3.899 3.610 4.318 . 0 0 "[ . 1 . 2]" 1
407 1 74 LEU HG 1 76 LYS HA . . 4.900 4.551 3.695 4.946 0.046 14 0 "[ . 1 . 2]" 1
408 1 74 LEU MD1 1 76 LYS HB3 . . 8.520 6.287 5.197 7.311 . 0 0 "[ . 1 . 2]" 1
409 1 23 LEU HB2 1 91 VAL MG2 . . 4.850 2.998 1.642 4.367 . 0 0 "[ . 1 . 2]" 1
410 1 23 LEU HB3 1 91 VAL MG2 . . 4.850 3.426 2.053 4.837 . 0 0 "[ . 1 . 2]" 1
411 1 23 LEU HB2 1 24 GLU H . . 5.500 4.316 3.906 4.608 . 0 0 "[ . 1 . 2]" 1
412 1 23 LEU MD1 1 24 GLU HB3 . . 8.350 6.035 4.593 7.440 . 0 0 "[ . 1 . 2]" 1
413 1 23 LEU MD1 1 24 GLU HB2 . . 8.350 5.607 4.609 6.820 . 0 0 "[ . 1 . 2]" 1
414 1 23 LEU MD2 1 25 LEU HG . . 3.850 2.929 1.949 3.888 0.038 20 0 "[ . 1 . 2]" 1
415 1 17 ALA MB 1 23 LEU MD2 . . 4.260 3.095 1.873 4.111 . 0 0 "[ . 1 . 2]" 1
416 1 23 LEU MD2 1 25 LEU MD1 . . 7.230 2.367 1.714 4.208 . 0 0 "[ . 1 . 2]" 1
417 1 18 SER H 1 19 LEU H . . 5.500 4.425 4.281 4.508 . 0 0 "[ . 1 . 2]" 1
418 1 88 ILE H 1 89 PHE H . . 5.480 4.287 4.154 4.452 . 0 0 "[ . 1 . 2]" 1
419 1 3 SER H 1 4 GLU H . . 5.020 2.186 1.839 3.059 . 0 0 "[ . 1 . 2]" 1
420 1 7 ILE H 1 8 VAL H . . 4.980 4.412 4.337 4.483 . 0 0 "[ . 1 . 2]" 1
421 1 8 VAL H 1 30 SER H . . 5.490 5.027 4.712 5.522 0.032 14 0 "[ . 1 . 2]" 1
422 1 101 CYS H 1 114 THR H . . 5.500 3.714 3.366 3.981 . 0 0 "[ . 1 . 2]" 1
423 1 94 ASP H 1 95 ASP H . . 4.110 2.420 2.131 2.669 . 0 0 "[ . 1 . 2]" 1
424 1 79 ILE H 1 81 GLU H . . 5.290 4.188 3.988 4.401 . 0 0 "[ . 1 . 2]" 1
425 1 81 GLU H 1 82 GLY H . . 4.060 2.170 2.018 2.340 . 0 0 "[ . 1 . 2]" 1
426 1 97 GLY H 1 98 SER H . . 5.230 3.842 3.221 4.340 . 0 0 "[ . 1 . 2]" 1
427 1 17 ALA H 1 18 SER H . . 5.500 4.440 4.388 4.546 . 0 0 "[ . 1 . 2]" 1
428 1 29 LEU H 1 82 GLY H . . 5.500 5.557 5.347 5.649 0.149 18 0 "[ . 1 . 2]" 1
429 1 15 VAL H 1 16 LEU H . . 5.500 4.338 4.115 4.518 . 0 0 "[ . 1 . 2]" 1
430 1 110 GLU H 1 111 GLU H . . 5.500 4.370 4.167 4.463 . 0 0 "[ . 1 . 2]" 1
431 1 43 PHE HE2 1 54 TYR HB2 . . 5.140 3.264 2.016 4.489 . 0 0 "[ . 1 . 2]" 1
432 1 68 TYR H 1 68 TYR HD1 . . 5.240 4.417 2.124 5.206 . 0 0 "[ . 1 . 2]" 1
433 1 25 LEU MD1 1 99 TYR HD1 . . 5.500 4.772 3.010 5.540 0.040 5 0 "[ . 1 . 2]" 1
434 1 25 LEU MD2 1 99 TYR HD1 . . 5.500 4.213 2.580 5.772 0.272 10 0 "[ . 1 . 2]" 1
435 1 54 TYR HD1 1 55 ARG H . . 5.330 4.268 2.966 5.413 0.083 18 0 "[ . 1 . 2]" 1
436 1 54 TYR HD2 1 55 ARG H . . 5.460 4.487 3.154 5.448 . 0 0 "[ . 1 . 2]" 1
437 1 43 PHE HZ 1 65 ILE MD . . 5.070 2.719 1.969 4.607 . 0 0 "[ . 1 . 2]" 1
438 1 25 LEU HB2 1 42 TRP HD1 . . 5.410 4.530 3.471 5.562 0.152 8 0 "[ . 1 . 2]" 1
439 1 25 LEU HB3 1 42 TRP HD1 . . 5.410 4.876 3.663 5.530 0.120 7 0 "[ . 1 . 2]" 1
440 1 6 PHE QD 1 108 PHE HB2 . . 4.860 2.449 1.647 3.552 . 0 0 "[ . 1 . 2]" 1
441 1 6 PHE H 1 108 PHE QD . . 5.380 4.157 2.598 5.175 . 0 0 "[ . 1 . 2]" 1
442 1 43 PHE HE1 1 65 ILE MD . . 5.230 2.457 1.616 4.407 . 0 0 "[ . 1 . 2]" 1
443 1 43 PHE HE2 1 54 TYR HB3 . . 5.140 4.435 3.117 5.198 0.058 10 0 "[ . 1 . 2]" 1
444 1 103 PHE HB2 1 103 PHE HE2 . . 5.500 4.962 4.547 5.395 . 0 0 "[ . 1 . 2]" 1
445 1 29 LEU HG 1 103 PHE QD . . 4.480 3.551 2.305 4.498 0.018 2 0 "[ . 1 . 2]" 1
446 1 6 PHE QD 1 108 PHE HB3 . . 4.860 3.485 2.202 4.776 . 0 0 "[ . 1 . 2]" 1
447 1 3 SER H 1 4 GLU QB . . 4.770 3.766 3.089 4.396 . 0 0 "[ . 1 . 2]" 1
448 1 4 GLU HA 1 5 PRO QG . . 5.690 3.778 3.625 3.897 . 0 0 "[ . 1 . 2]" 1
449 1 4 GLU QB 1 5 PRO QG . . 7.010 4.874 4.448 5.251 . 0 0 "[ . 1 . 2]" 1
450 1 4 GLU QB 1 5 PRO QD . . 5.510 3.303 2.829 3.749 . 0 0 "[ . 1 . 2]" 1
451 1 4 GLU HB3 1 5 PRO HD2 . . 6.870 3.897 3.071 4.857 . 0 0 "[ . 1 . 2]" 1
452 1 4 GLU QB 1 7 ILE MG . . 6.380 3.868 2.018 6.229 . 0 0 "[ . 1 . 2]" 1
453 1 5 PRO QB 1 108 PHE HE1 . . 6.170 4.583 3.347 5.793 . 0 0 "[ . 1 . 2]" 1
454 1 5 PRO QG 1 6 PHE QD . . 5.390 4.384 2.974 5.358 . 0 0 "[ . 1 . 2]" 1
455 1 5 PRO QG 1 108 PHE QD . . 6.230 3.739 2.710 5.276 . 0 0 "[ . 1 . 2]" 1
456 1 6 PHE QB 1 29 LEU QD . . 6.780 4.129 2.320 6.071 . 0 0 "[ . 1 . 2]" 1
457 1 6 PHE QB 1 108 PHE H . . 6.050 5.930 5.033 6.218 0.168 13 0 "[ . 1 . 2]" 1
458 1 6 PHE QD 1 108 PHE QB . . 4.700 2.315 1.643 3.248 . 0 0 "[ . 1 . 2]" 1
459 1 6 PHE HE1 1 103 PHE QB . . 5.560 3.955 3.043 5.254 . 0 0 "[ . 1 . 2]" 1
460 1 6 PHE HE2 1 103 PHE QB . . 5.860 2.770 1.947 4.263 . 0 0 "[ . 1 . 2]" 1
461 1 6 PHE QD 1 29 LEU QD . . 6.720 3.039 1.759 4.677 . 0 0 "[ . 1 . 2]" 1
462 1 7 ILE HA 1 8 VAL QG . . 6.520 3.656 3.153 4.400 . 0 0 "[ . 1 . 2]" 1
463 1 7 ILE HA 1 110 GLU QG . . 5.140 2.011 1.341 3.918 . 0 0 "[ . 1 . 2]" 1
464 1 7 ILE QG 1 8 VAL HB . . 6.210 5.882 5.093 6.192 . 0 0 "[ . 1 . 2]" 1
465 1 7 ILE QG 1 30 SER QB . . 5.660 2.829 1.954 4.161 . 0 0 "[ . 1 . 2]" 1
466 1 7 ILE HG12 1 30 SER HB3 . . 6.740 5.360 3.659 6.751 0.011 10 0 "[ . 1 . 2]" 1
467 1 7 ILE HG13 1 30 SER HB3 . . 6.740 4.343 3.573 6.480 . 0 0 "[ . 1 . 2]" 1
468 1 8 VAL HA 1 9 ASN QB . . 6.380 4.029 3.827 4.175 . 0 0 "[ . 1 . 2]" 1
469 1 8 VAL HA 1 29 LEU QD . . 6.100 3.572 1.785 5.216 . 0 0 "[ . 1 . 2]" 1
470 1 8 VAL QG 1 9 ASN H . . 5.870 2.276 1.899 2.949 . 0 0 "[ . 1 . 2]" 1
471 1 8 VAL QG 1 29 LEU QD . . 4.890 3.019 1.673 4.533 . 0 0 "[ . 1 . 2]" 1
472 1 8 VAL QG 1 103 PHE QB . . 6.450 3.630 2.539 4.917 . 0 0 "[ . 1 . 2]" 1
473 1 8 VAL MG1 1 103 PHE HB2 . . 8.310 5.762 4.053 7.642 . 0 0 "[ . 1 . 2]" 1
474 1 8 VAL MG1 1 103 PHE HB3 . . 8.310 6.553 4.573 8.324 0.014 12 0 "[ . 1 . 2]" 1
475 1 8 VAL QG 1 110 GLU QB . . 6.360 2.404 1.567 4.503 . 0 0 "[ . 1 . 2]" 1
476 1 8 VAL MG1 1 110 GLU HB2 . . 8.090 5.727 4.797 7.419 . 0 0 "[ . 1 . 2]" 1
477 1 8 VAL MG1 1 110 GLU HB3 . . 8.090 4.809 3.979 6.499 . 0 0 "[ . 1 . 2]" 1
478 1 9 ASN QB 1 28 GLN QG . . 5.820 3.448 1.841 5.013 . 0 0 "[ . 1 . 2]" 1
479 1 9 ASN HB2 1 28 GLN HG2 . . 7.000 4.936 1.969 7.031 0.031 10 0 "[ . 1 . 2]" 1
480 1 9 ASN HB2 1 28 GLN HG3 . . 7.000 5.312 2.593 7.038 0.038 10 0 "[ . 1 . 2]" 1
481 1 11 LEU HA 1 11 LEU QD . . 4.200 2.500 1.318 3.443 . 0 0 "[ . 1 . 2]" 1
482 1 11 LEU QB 1 12 GLU H . . 6.070 2.895 2.095 3.988 . 0 0 "[ . 1 . 2]" 1
483 1 11 LEU QD 1 12 GLU QB . . 7.330 4.356 3.379 5.341 . 0 0 "[ . 1 . 2]" 1
484 1 13 GLY QA 1 15 VAL QG . . 6.050 3.396 2.601 4.500 . 0 0 "[ . 1 . 2]" 1
485 1 13 GLY HA2 1 15 VAL MG2 . . 7.740 4.479 3.304 5.435 . 0 0 "[ . 1 . 2]" 1
486 1 13 GLY HA3 1 15 VAL MG2 . . 7.740 4.002 2.675 5.404 . 0 0 "[ . 1 . 2]" 1
487 1 13 GLY QA 1 114 THR MG . . 5.160 2.960 1.457 4.716 . 0 0 "[ . 1 . 2]" 1
488 1 14 PRO QB 1 16 LEU QD . . 4.720 3.043 2.669 3.549 . 0 0 "[ . 1 . 2]" 1
489 1 14 PRO QB 1 117 LYS QG . . 5.700 3.806 2.259 4.872 . 0 0 "[ . 1 . 2]" 1
490 1 14 PRO HB2 1 117 LYS HG2 . . 6.650 5.422 3.433 6.678 0.028 2 0 "[ . 1 . 2]" 1
491 1 14 PRO HB3 1 117 LYS HG2 . . 6.650 5.168 3.347 6.546 . 0 0 "[ . 1 . 2]" 1
492 1 14 PRO QG 1 16 LEU QD . . 6.920 4.050 2.867 4.765 . 0 0 "[ . 1 . 2]" 1
493 1 14 PRO HG2 1 16 LEU MD1 . . 8.640 4.624 2.969 5.583 . 0 0 "[ . 1 . 2]" 1
494 1 14 PRO HG3 1 16 LEU MD1 . . 8.640 5.649 4.097 6.525 . 0 0 "[ . 1 . 2]" 1
495 1 15 VAL HA 1 16 LEU QB . . 6.320 4.555 4.341 4.785 . 0 0 "[ . 1 . 2]" 1
496 1 15 VAL HB 1 16 LEU QD . . 5.890 5.275 4.202 5.604 . 0 0 "[ . 1 . 2]" 1
497 1 15 VAL HB 1 25 LEU QD . . 6.140 3.291 2.451 4.385 . 0 0 "[ . 1 . 2]" 1
498 1 15 VAL QG 1 25 LEU QD . . 6.890 2.173 1.841 2.684 . 0 0 "[ . 1 . 2]" 1
499 1 15 VAL QG 1 116 VAL HA . . 6.120 2.653 1.961 3.770 . 0 0 "[ . 1 . 2]" 1
500 1 16 LEU H 1 16 LEU QD . . 4.180 2.536 1.675 3.013 . 0 0 "[ . 1 . 2]" 1
501 1 16 LEU HA 1 16 LEU QD . . 3.540 2.735 1.800 3.193 . 0 0 "[ . 1 . 2]" 1
502 1 16 LEU HA 1 117 LYS QG . . 6.170 3.833 1.606 4.698 . 0 0 "[ . 1 . 2]" 1
503 1 16 LEU QB 1 17 ALA H . . 5.000 3.274 2.800 3.661 . 0 0 "[ . 1 . 2]" 1
504 1 16 LEU QB 1 119 THR MG . . 4.870 3.447 2.410 3.936 . 0 0 "[ . 1 . 2]" 1
505 1 16 LEU QD 1 17 ALA H . . 6.320 4.088 3.451 4.520 . 0 0 "[ . 1 . 2]" 1
506 1 16 LEU QD 1 117 LYS H . . 6.310 4.290 3.388 4.920 . 0 0 "[ . 1 . 2]" 1
507 1 16 LEU QD 1 117 LYS QB . . 5.460 2.306 1.766 3.789 . 0 0 "[ . 1 . 2]" 1
508 1 16 LEU MD1 1 117 LYS HB2 . . 7.290 4.305 1.877 6.618 . 0 0 "[ . 1 . 2]" 1
509 1 16 LEU MD1 1 117 LYS HB3 . . 7.290 4.907 1.806 6.538 . 0 0 "[ . 1 . 2]" 1
510 1 16 LEU QD 1 117 LYS QD . . 7.010 3.228 1.562 4.465 . 0 0 "[ . 1 . 2]" 1
511 1 16 LEU QD 1 117 LYS QE . . 6.300 3.622 2.027 5.027 . 0 0 "[ . 1 . 2]" 1
512 1 16 LEU MD1 1 117 LYS HE2 . . 7.950 5.986 2.879 7.913 . 0 0 "[ . 1 . 2]" 1
513 1 16 LEU MD1 1 117 LYS HE3 . . 7.950 6.171 4.052 8.012 0.062 6 0 "[ . 1 . 2]" 1
514 1 16 LEU QD 1 119 THR MG . . 5.190 3.003 2.066 4.605 . 0 0 "[ . 1 . 2]" 1
515 1 17 ALA MB 1 23 LEU QD . . 3.530 2.002 1.681 2.361 . 0 0 "[ . 1 . 2]" 1
516 1 18 SER HA 1 19 LEU QB . . 5.820 4.085 3.970 4.587 . 0 0 "[ . 1 . 2]" 1
517 1 18 SER QB 1 19 LEU QB . . 6.760 4.457 4.224 4.920 . 0 0 "[ . 1 . 2]" 1
518 1 19 LEU H 1 19 LEU QB . . 3.790 2.150 2.031 2.522 . 0 0 "[ . 1 . 2]" 1
519 1 19 LEU HA 1 19 LEU QD . . 3.430 2.846 2.378 3.439 0.009 8 0 "[ . 1 . 2]" 1
520 1 19 LEU HA 1 20 GLY QA . . 4.450 3.931 3.902 4.018 . 0 0 "[ . 1 . 2]" 1
521 1 19 LEU HA 1 91 VAL QG . . 5.230 2.683 1.653 4.523 . 0 0 "[ . 1 . 2]" 1
522 1 19 LEU HA 1 93 VAL QG . . 7.050 6.000 4.799 6.479 . 0 0 "[ . 1 . 2]" 1
523 1 19 LEU QB 1 20 GLY H . . 5.480 3.531 2.794 3.853 . 0 0 "[ . 1 . 2]" 1
524 1 19 LEU QB 1 20 GLY QA . . 6.140 4.003 3.667 4.476 . 0 0 "[ . 1 . 2]" 1
525 1 19 LEU HB2 1 20 GLY HA2 . . 7.250 6.054 4.735 6.406 . 0 0 "[ . 1 . 2]" 1
526 1 19 LEU HB2 1 20 GLY HA3 . . 7.250 5.516 4.570 5.781 . 0 0 "[ . 1 . 2]" 1
527 1 19 LEU QB 1 91 VAL QG . . 7.000 4.117 2.464 5.323 . 0 0 "[ . 1 . 2]" 1
528 1 19 LEU QB 1 118 ILE MG . . 4.930 2.233 1.468 3.558 . 0 0 "[ . 1 . 2]" 1
529 1 19 LEU QD 1 20 GLY H . . 4.640 3.073 2.388 3.706 . 0 0 "[ . 1 . 2]" 1
530 1 19 LEU QD 1 20 GLY QA . . 7.950 3.437 2.844 4.559 . 0 0 "[ . 1 . 2]" 1
531 1 19 LEU QD 1 93 VAL H . . 4.540 2.573 1.735 3.149 . 0 0 "[ . 1 . 2]" 1
532 1 19 LEU QD 1 93 VAL QG . . 5.850 2.737 1.675 3.379 . 0 0 "[ . 1 . 2]" 1
533 1 19 LEU QD 1 118 ILE MG . . 5.290 2.117 1.767 2.709 . 0 0 "[ . 1 . 2]" 1
534 1 20 GLY QA 1 90 ASN HA . . 4.310 2.355 1.783 3.029 . 0 0 "[ . 1 . 2]" 1
535 1 20 GLY QA 1 90 ASN QB . . 6.230 3.429 2.563 4.444 . 0 0 "[ . 1 . 2]" 1
536 1 20 GLY HA2 1 90 ASN HB3 . . 7.250 4.569 3.425 5.493 . 0 0 "[ . 1 . 2]" 1
537 1 20 GLY HA3 1 90 ASN HB3 . . 7.250 6.249 5.122 7.171 . 0 0 "[ . 1 . 2]" 1
538 1 20 GLY QA 1 91 VAL QG . . 6.840 4.221 3.503 5.030 . 0 0 "[ . 1 . 2]" 1
539 1 20 GLY HA2 1 91 VAL MG1 . . 8.620 5.078 4.112 6.591 . 0 0 "[ . 1 . 2]" 1
540 1 20 GLY HA3 1 91 VAL MG1 . . 8.620 5.745 4.684 7.557 . 0 0 "[ . 1 . 2]" 1
541 1 22 ASN QB 1 23 LEU HA . . 6.040 4.609 3.921 4.991 . 0 0 "[ . 1 . 2]" 1
542 1 22 ASN QB 1 87 ARG QG . . 6.140 3.856 2.763 5.494 . 0 0 "[ . 1 . 2]" 1
543 1 22 ASN HB2 1 87 ARG HG3 . . 7.110 5.145 3.208 7.132 0.022 7 0 "[ . 1 . 2]" 1
544 1 22 ASN HB3 1 87 ARG HG3 . . 7.110 5.885 4.315 7.143 0.033 2 0 "[ . 1 . 2]" 1
545 1 22 ASN QB 1 88 ILE H . . 6.380 5.122 3.904 6.078 . 0 0 "[ . 1 . 2]" 1
546 1 23 LEU HA 1 23 LEU QD . . 4.010 2.351 1.676 3.017 . 0 0 "[ . 1 . 2]" 1
547 1 23 LEU HA 1 24 GLU QB . . 6.250 4.166 4.084 4.352 . 0 0 "[ . 1 . 2]" 1
548 1 23 LEU HA 1 116 VAL QG . . 5.030 5.015 4.634 5.192 0.162 5 0 "[ . 1 . 2]" 1
549 1 23 LEU QB 1 24 GLU H . . 5.190 3.798 3.640 3.895 . 0 0 "[ . 1 . 2]" 1
550 1 23 LEU QB 1 25 LEU QD . . 7.410 3.298 1.826 4.414 . 0 0 "[ . 1 . 2]" 1
551 1 23 LEU QB 1 88 ILE H . . 6.170 3.463 2.876 3.988 . 0 0 "[ . 1 . 2]" 1
552 1 23 LEU QB 1 91 VAL QG . . 4.220 2.431 1.573 3.465 . 0 0 "[ . 1 . 2]" 1
553 1 23 LEU QD 1 24 GLU H . . 5.490 2.906 2.043 3.580 . 0 0 "[ . 1 . 2]" 1
554 1 23 LEU QD 1 24 GLU QB . . 6.670 4.322 3.727 4.792 . 0 0 "[ . 1 . 2]" 1
555 1 23 LEU MD2 1 24 GLU HB2 . . 8.350 5.723 3.979 6.620 . 0 0 "[ . 1 . 2]" 1
556 1 23 LEU MD2 1 24 GLU HB3 . . 8.350 6.109 4.582 6.922 . 0 0 "[ . 1 . 2]" 1
557 1 23 LEU QD 1 25 LEU HG . . 3.280 2.507 1.942 3.353 0.073 16 0 "[ . 1 . 2]" 1
558 1 23 LEU QD 1 25 LEU QD . . 4.700 1.781 1.488 2.210 . 0 0 "[ . 1 . 2]" 1
559 1 23 LEU MD1 1 25 LEU MD1 . . 7.230 3.048 1.829 3.930 . 0 0 "[ . 1 . 2]" 1
560 1 23 LEU QD 1 88 ILE HB . . 6.130 2.848 1.739 4.294 . 0 0 "[ . 1 . 2]" 1
561 1 23 LEU QD 1 88 ILE MG . . 6.120 3.001 1.952 4.298 . 0 0 "[ . 1 . 2]" 1
562 1 23 LEU QD 1 88 ILE QG . . 7.060 4.199 3.147 5.369 . 0 0 "[ . 1 . 2]" 1
563 1 23 LEU QD 1 91 VAL HB . . 6.430 2.920 1.916 4.338 . 0 0 "[ . 1 . 2]" 1
564 1 23 LEU QD 1 116 VAL HB . . 6.840 3.720 2.616 4.365 . 0 0 "[ . 1 . 2]" 1
565 1 23 LEU QD 1 116 VAL QG . . 4.590 1.865 1.605 2.117 . 0 0 "[ . 1 . 2]" 1
566 1 23 LEU MD1 1 116 VAL MG2 . . 6.220 2.474 1.841 3.208 . 0 0 "[ . 1 . 2]" 1
567 1 23 LEU MD2 1 116 VAL MG1 . . 6.220 3.230 2.215 4.241 . 0 0 "[ . 1 . 2]" 1
568 1 24 GLU H 1 24 GLU QG . . 5.100 3.600 3.072 4.039 . 0 0 "[ . 1 . 2]" 1
569 1 24 GLU QB 1 85 THR MG . . 4.270 2.976 2.386 3.866 . 0 0 "[ . 1 . 2]" 1
570 1 24 GLU QB 1 87 ARG HA . . 6.110 4.262 4.003 4.543 . 0 0 "[ . 1 . 2]" 1
571 1 24 GLU QG 1 75 LEU QD . . 6.990 3.739 2.786 4.898 . 0 0 "[ . 1 . 2]" 1
572 1 24 GLU HG2 1 75 LEU MD1 . . 8.630 4.770 2.932 6.811 . 0 0 "[ . 1 . 2]" 1
573 1 24 GLU HG3 1 75 LEU MD1 . . 8.630 5.407 3.575 7.626 . 0 0 "[ . 1 . 2]" 1
574 1 24 GLU QG 1 87 ARG HA . . 4.610 2.644 2.052 3.515 . 0 0 "[ . 1 . 2]" 1
575 1 24 GLU QG 1 87 ARG QB . . 4.980 3.418 2.510 4.012 . 0 0 "[ . 1 . 2]" 1
576 1 24 GLU QG 1 87 ARG QG . . 4.800 1.848 1.474 2.480 . 0 0 "[ . 1 . 2]" 1
577 1 24 GLU QG 1 87 ARG QD . . 5.010 2.987 2.124 3.968 . 0 0 "[ . 1 . 2]" 1
578 1 25 LEU QB 1 42 TRP HD1 . . 5.230 4.141 3.271 4.933 . 0 0 "[ . 1 . 2]" 1
579 1 25 LEU QB 1 86 LEU QD . . 7.950 3.453 2.386 4.358 . 0 0 "[ . 1 . 2]" 1
580 1 25 LEU QD 1 68 TYR HD1 . . 7.070 6.579 5.553 7.157 0.087 9 0 "[ . 1 . 2]" 1
581 1 25 LEU QD 1 68 TYR QE . . 6.950 4.852 4.423 5.369 . 0 0 "[ . 1 . 2]" 1
582 1 25 LEU QD 1 86 LEU HG . . 6.330 3.134 2.573 4.079 . 0 0 "[ . 1 . 2]" 1
583 1 25 LEU QD 1 86 LEU QD . . 7.940 2.644 1.590 3.703 . 0 0 "[ . 1 . 2]" 1
584 1 25 LEU QD 1 88 ILE MD . . 6.170 2.284 1.781 3.382 . 0 0 "[ . 1 . 2]" 1
585 1 25 LEU QD 1 99 TYR QB . . 6.190 3.070 1.975 4.135 . 0 0 "[ . 1 . 2]" 1
586 1 25 LEU MD1 1 99 TYR HB2 . . 7.890 4.484 3.229 5.462 . 0 0 "[ . 1 . 2]" 1
587 1 25 LEU MD1 1 99 TYR HB3 . . 7.890 4.333 3.331 5.519 . 0 0 "[ . 1 . 2]" 1
588 1 25 LEU QD 1 99 TYR HD1 . . 4.590 3.857 2.440 4.955 0.365 10 0 "[ . 1 . 2]" 1
589 1 25 LEU QD 1 99 TYR QE . . 5.800 2.560 2.080 3.536 . 0 0 "[ . 1 . 2]" 1
590 1 26 SER HA 1 84 VAL QG . . 6.650 4.319 3.479 5.016 . 0 0 "[ . 1 . 2]" 1
591 1 27 CYS QB 1 28 GLN H . . 6.150 3.218 2.957 3.399 . 0 0 "[ . 1 . 2]" 1
592 1 27 CYS QB 1 42 TRP HD1 . . 5.900 3.865 2.752 6.095 0.195 11 0 "[ . 1 . 2]" 1
593 1 28 GLN QB 1 83 LYS HA . . 5.440 4.026 3.034 4.767 . 0 0 "[ . 1 . 2]" 1
594 1 28 GLN QB 1 83 LYS QG . . 6.020 3.127 1.839 4.145 . 0 0 "[ . 1 . 2]" 1
595 1 28 GLN HB2 1 83 LYS HG2 . . 7.050 4.627 2.741 6.379 . 0 0 "[ . 1 . 2]" 1
596 1 28 GLN HB2 1 83 LYS HG3 . . 7.050 3.693 1.864 5.002 . 0 0 "[ . 1 . 2]" 1
597 1 28 GLN QB 1 83 LYS QD . . 6.550 4.098 2.489 5.311 . 0 0 "[ . 1 . 2]" 1
598 1 28 GLN QG 1 29 LEU QD . . 7.420 4.731 3.663 5.540 . 0 0 "[ . 1 . 2]" 1
599 1 28 GLN QG 1 83 LYS HA . . 5.230 3.846 2.358 5.235 0.005 16 0 "[ . 1 . 2]" 1
600 1 28 GLN QG 1 83 LYS QB . . 7.110 4.571 3.340 5.940 . 0 0 "[ . 1 . 2]" 1
601 1 28 GLN QG 1 83 LYS QG . . 5.710 2.835 1.627 4.347 . 0 0 "[ . 1 . 2]" 1
602 1 28 GLN HG2 1 83 LYS HG2 . . 6.690 4.604 2.096 6.731 0.041 13 0 "[ . 1 . 2]" 1
603 1 28 GLN HG2 1 83 LYS HG3 . . 6.690 3.651 1.648 5.842 . 0 0 "[ . 1 . 2]" 1
604 1 28 GLN QG 1 83 LYS QD . . 6.580 3.638 1.525 5.745 . 0 0 "[ . 1 . 2]" 1
605 1 29 LEU QB 1 30 SER H . . 6.170 2.760 2.335 3.535 . 0 0 "[ . 1 . 2]" 1
606 1 29 LEU QB 1 82 GLY QA . . 5.350 3.374 2.072 4.561 . 0 0 "[ . 1 . 2]" 1
607 1 29 LEU HB3 1 82 GLY HA3 . . 6.710 4.520 2.544 6.271 . 0 0 "[ . 1 . 2]" 1
608 1 29 LEU QB 1 103 PHE QD . . 5.320 3.354 1.885 5.041 . 0 0 "[ . 1 . 2]" 1
609 1 29 LEU HG 1 82 GLY QA . . 5.140 3.925 2.244 4.826 . 0 0 "[ . 1 . 2]" 1
610 1 29 LEU QD 1 30 SER H . . 6.730 2.961 1.553 3.843 . 0 0 "[ . 1 . 2]" 1
611 1 29 LEU QD 1 82 GLY QA . . 5.960 2.728 1.583 4.115 . 0 0 "[ . 1 . 2]" 1
612 1 29 LEU QD 1 103 PHE QB . . 6.630 2.558 1.864 3.491 . 0 0 "[ . 1 . 2]" 1
613 1 32 PRO QB 1 33 GLN QB . . 6.540 3.986 3.468 4.746 . 0 0 "[ . 1 . 2]" 1
614 1 32 PRO QG 1 33 GLN QG . . 5.070 3.214 1.988 4.123 . 0 0 "[ . 1 . 2]" 1
615 1 32 PRO HG2 1 33 GLN HG2 . . 6.220 3.608 2.011 4.631 . 0 0 "[ . 1 . 2]" 1
616 1 32 PRO HG2 1 33 GLN HG3 . . 6.220 4.101 2.011 5.043 . 0 0 "[ . 1 . 2]" 1
617 1 34 GLN HA 1 80 GLY QA . . 4.510 2.874 1.818 3.349 . 0 0 "[ . 1 . 2]" 1
618 1 34 GLN QB 1 80 GLY QA . . 5.000 2.866 2.037 3.413 . 0 0 "[ . 1 . 2]" 1
619 1 34 GLN QG 1 35 ALA H . . 6.180 2.894 2.282 4.766 . 0 0 "[ . 1 . 2]" 1
620 1 34 GLN QG 1 36 GLN H . . 4.930 2.645 1.550 4.586 . 0 0 "[ . 1 . 2]" 1
621 1 34 GLN QG 1 80 GLY QA . . 6.270 4.187 1.762 5.147 . 0 0 "[ . 1 . 2]" 1
622 1 34 GLN HG2 1 80 GLY HA3 . . 7.250 6.303 3.117 7.244 . 0 0 "[ . 1 . 2]" 1
623 1 34 GLN HG3 1 80 GLY HA3 . . 7.250 5.820 2.673 6.881 . 0 0 "[ . 1 . 2]" 1
624 1 35 ALA H 1 80 GLY QA . . 5.570 5.299 4.656 5.634 0.064 13 0 "[ . 1 . 2]" 1
625 1 37 HIS HA 1 56 ASP QB . . 6.380 3.881 2.098 5.977 . 0 0 "[ . 1 . 2]" 1
626 1 39 GLU HA 1 53 LEU QD . . 7.000 3.754 3.123 5.192 . 0 0 "[ . 1 . 2]" 1
627 1 39 GLU HA 1 55 ARG QB . . 5.360 3.350 1.835 4.313 . 0 0 "[ . 1 . 2]" 1
628 1 39 GLU HA 1 55 ARG QG . . 5.840 4.421 1.986 5.880 0.040 4 0 "[ . 1 . 2]" 1
629 1 39 GLU QB 1 53 LEU QD . . 7.350 2.548 1.189 4.664 . 0 0 "[ . 1 . 2]" 1
630 1 39 GLU QB 1 55 ARG QB . . 5.290 3.651 2.615 4.338 . 0 0 "[ . 1 . 2]" 1
631 1 39 GLU HB2 1 55 ARG HB2 . . 6.360 4.713 3.073 6.131 . 0 0 "[ . 1 . 2]" 1
632 1 39 GLU QB 1 55 ARG QG . . 6.380 4.785 1.871 6.059 . 0 0 "[ . 1 . 2]" 1
633 1 39 GLU QB 1 55 ARG QD . . 6.450 4.886 3.112 6.130 . 0 0 "[ . 1 . 2]" 1
634 1 39 GLU QG 1 53 LEU HG . . 4.900 3.670 2.559 4.444 . 0 0 "[ . 1 . 2]" 1
635 1 39 GLU QG 1 53 LEU QD . . 4.010 2.158 1.412 3.240 . 0 0 "[ . 1 . 2]" 1
636 1 39 GLU HG2 1 53 LEU MD2 . . 5.650 3.644 2.335 5.397 . 0 0 "[ . 1 . 2]" 1
637 1 39 GLU QG 1 54 TYR HA . . 5.550 5.400 4.556 5.619 0.069 8 0 "[ . 1 . 2]" 1
638 1 39 GLU QG 1 55 ARG HA . . 5.650 2.802 1.695 4.529 . 0 0 "[ . 1 . 2]" 1
639 1 39 GLU QG 1 55 ARG QB . . 4.930 2.063 1.621 2.715 . 0 0 "[ . 1 . 2]" 1
640 1 39 GLU HG2 1 55 ARG HB2 . . 6.260 2.841 1.898 4.444 . 0 0 "[ . 1 . 2]" 1
641 1 39 GLU QG 1 55 ARG QG . . 5.800 3.292 1.766 4.361 . 0 0 "[ . 1 . 2]" 1
642 1 39 GLU HG2 1 55 ARG HG2 . . 6.750 4.868 3.133 6.036 . 0 0 "[ . 1 . 2]" 1
643 1 39 GLU HG2 1 55 ARG HG3 . . 6.750 4.484 2.611 5.891 . 0 0 "[ . 1 . 2]" 1
644 1 39 GLU QG 1 55 ARG QD . . 5.120 3.304 2.039 4.404 . 0 0 "[ . 1 . 2]" 1
645 1 39 GLU HG2 1 55 ARG HD3 . . 6.100 4.796 2.914 6.112 0.012 18 0 "[ . 1 . 2]" 1
646 1 39 GLU HG3 1 55 ARG HD3 . . 6.100 4.554 2.201 5.978 . 0 0 "[ . 1 . 2]" 1
647 1 40 ILE H 1 53 LEU QD . . 6.940 3.815 2.768 5.124 . 0 0 "[ . 1 . 2]" 1
648 1 40 ILE HB 1 74 LEU QD . . 6.500 4.233 3.402 4.935 . 0 0 "[ . 1 . 2]" 1
649 1 40 ILE QG 1 74 LEU QD . . 6.590 3.145 2.013 4.145 . 0 0 "[ . 1 . 2]" 1
650 1 40 ILE QG 1 103 PHE HA . . 6.050 4.211 2.580 5.569 . 0 0 "[ . 1 . 2]" 1
651 1 40 ILE MD 1 74 LEU QB . . 4.960 4.591 4.056 4.983 0.023 18 0 "[ . 1 . 2]" 1
652 1 40 ILE MD 1 74 LEU QD . . 4.370 2.131 1.599 2.450 . 0 0 "[ . 1 . 2]" 1
653 1 41 ARG HA 1 53 LEU QD . . 5.870 4.714 3.553 5.876 0.006 20 0 "[ . 1 . 2]" 1
654 1 41 ARG QB 1 53 LEU QD . . 5.990 3.866 2.434 5.675 . 0 0 "[ . 1 . 2]" 1
655 1 41 ARG HB2 1 53 LEU MD2 . . 8.000 5.715 4.109 8.021 0.021 18 0 "[ . 1 . 2]" 1
656 1 41 ARG HB3 1 53 LEU MD2 . . 8.000 6.229 4.928 7.242 . 0 0 "[ . 1 . 2]" 1
657 1 41 ARG QB 1 102 VAL HB . . 5.340 2.047 1.312 3.741 . 0 0 "[ . 1 . 2]" 1
658 1 41 ARG QB 1 104 LYS QD . . 5.950 4.799 3.564 5.512 . 0 0 "[ . 1 . 2]" 1
659 1 41 ARG HB2 1 104 LYS HD2 . . 7.050 5.989 3.893 7.141 0.091 11 0 "[ . 1 . 2]" 1
660 1 41 ARG HB2 1 104 LYS HD3 . . 7.050 6.126 4.706 6.941 . 0 0 "[ . 1 . 2]" 1
661 1 41 ARG QG 1 53 LEU QD . . 7.250 4.327 2.014 6.249 . 0 0 "[ . 1 . 2]" 1
662 1 41 ARG QG 1 102 VAL H . . 6.020 3.652 2.499 4.682 . 0 0 "[ . 1 . 2]" 1
663 1 41 ARG QG 1 102 VAL HB . . 5.000 2.928 1.595 4.286 . 0 0 "[ . 1 . 2]" 1
664 1 42 TRP HD1 1 101 CYS QB . . 6.380 5.291 3.301 6.241 . 0 0 "[ . 1 . 2]" 1
665 1 42 TRP HE3 1 99 TYR QB . . 6.380 3.496 2.424 6.169 . 0 0 "[ . 1 . 2]" 1
666 1 42 TRP HE3 1 101 CYS QB . . 6.380 3.892 2.827 6.090 . 0 0 "[ . 1 . 2]" 1
667 1 42 TRP HH2 1 99 TYR QB . . 5.730 3.894 3.090 6.047 0.317 7 0 "[ . 1 . 2]" 1
668 1 43 PHE QB 1 43 PHE HE1 . . 5.030 4.468 4.431 4.518 . 0 0 "[ . 1 . 2]" 1
669 1 43 PHE QB 1 88 ILE MD . . 5.890 4.822 3.431 5.406 . 0 0 "[ . 1 . 2]" 1
670 1 43 PHE HE2 1 54 TYR QB . . 4.750 3.085 2.008 3.894 . 0 0 "[ . 1 . 2]" 1
671 1 43 PHE HZ 1 54 TYR QB . . 6.380 3.283 2.586 4.078 . 0 0 "[ . 1 . 2]" 1
672 1 43 PHE HZ 1 88 ILE QG . . 6.380 6.218 5.304 6.459 0.079 11 0 "[ . 1 . 2]" 1
673 1 53 LEU HG 1 55 ARG QB . . 4.920 3.420 2.570 4.354 . 0 0 "[ . 1 . 2]" 1
674 1 53 LEU HG 1 63 GLU QB . . 5.190 4.787 3.649 5.273 0.083 1 0 "[ . 1 . 2]" 1
675 1 53 LEU HG 1 63 GLU QG . . 6.220 4.982 3.405 6.343 0.123 15 0 "[ . 1 . 2]" 1
676 1 53 LEU QD 1 54 TYR H . . 5.640 3.445 2.451 4.064 . 0 0 "[ . 1 . 2]" 1
677 1 53 LEU QD 1 55 ARG QB . . 5.770 2.393 1.470 3.468 . 0 0 "[ . 1 . 2]" 1
678 1 53 LEU MD1 1 55 ARG HB2 . . 7.250 3.696 1.476 5.364 . 0 0 "[ . 1 . 2]" 1
679 1 53 LEU MD2 1 55 ARG HB2 . . 7.250 4.117 2.097 5.872 . 0 0 "[ . 1 . 2]" 1
680 1 53 LEU QD 1 55 ARG QD . . 5.430 3.218 2.076 4.264 . 0 0 "[ . 1 . 2]" 1
681 1 53 LEU MD1 1 55 ARG HD3 . . 6.720 4.902 2.311 6.755 0.035 11 0 "[ . 1 . 2]" 1
682 1 53 LEU MD2 1 55 ARG HD2 . . 6.720 4.507 2.123 6.749 0.029 19 0 "[ . 1 . 2]" 1
683 1 53 LEU QD 1 63 GLU H . . 7.010 5.456 3.806 6.753 . 0 0 "[ . 1 . 2]" 1
684 1 53 LEU QD 1 63 GLU HA . . 6.400 5.563 4.748 6.619 0.219 20 0 "[ . 1 . 2]" 1
685 1 53 LEU QD 1 63 GLU QB . . 4.720 3.831 3.006 4.655 . 0 0 "[ . 1 . 2]" 1
686 1 53 LEU MD1 1 63 GLU HB3 . . 6.740 5.898 4.530 6.627 . 0 0 "[ . 1 . 2]" 1
687 1 53 LEU QD 1 63 GLU QG . . 6.150 4.291 2.357 5.586 . 0 0 "[ . 1 . 2]" 1
688 1 54 TYR QE 1 76 LYS QE . . 6.040 4.263 2.500 6.044 0.004 12 0 "[ . 1 . 2]" 1
689 1 54 TYR HD2 1 74 LEU QB . . 5.480 4.304 2.880 5.527 0.047 12 0 "[ . 1 . 2]" 1
690 1 55 ARG H 1 56 ASP QB . . 6.330 4.867 4.287 5.999 . 0 0 "[ . 1 . 2]" 1
691 1 55 ARG QB 1 56 ASP QB . . 6.800 3.919 3.166 5.090 . 0 0 "[ . 1 . 2]" 1
692 1 55 ARG QG 1 56 ASP H . . 6.380 3.326 2.159 4.440 . 0 0 "[ . 1 . 2]" 1
693 1 55 ARG QG 1 56 ASP QB . . 4.960 2.891 2.073 3.830 . 0 0 "[ . 1 . 2]" 1
694 1 55 ARG QD 1 56 ASP QB . . 6.000 4.101 2.304 5.467 . 0 0 "[ . 1 . 2]" 1
695 1 55 ARG HD2 1 56 ASP HB2 . . 7.250 5.307 2.341 7.116 . 0 0 "[ . 1 . 2]" 1
696 1 55 ARG HD2 1 56 ASP HB3 . . 7.250 5.755 3.799 7.333 0.083 13 0 "[ . 1 . 2]" 1
697 1 57 GLY QA 1 58 LYS QG . . 6.190 4.797 3.556 5.605 . 0 0 "[ . 1 . 2]" 1
698 1 57 GLY HA2 1 58 LYS HG3 . . 7.250 6.599 4.904 7.253 0.003 18 0 "[ . 1 . 2]" 1
699 1 57 GLY HA3 1 58 LYS HG3 . . 7.250 6.082 4.554 7.049 . 0 0 "[ . 1 . 2]" 1
700 1 58 LYS HA 1 58 LYS QD . . 5.020 3.272 1.489 4.214 . 0 0 "[ . 1 . 2]" 1
701 1 58 LYS QD 1 59 ASP QB . . 5.890 5.279 4.030 6.011 0.121 8 0 "[ . 1 . 2]" 1
702 1 62 GLY QA 1 64 ILE HB . . 6.070 4.923 3.882 6.139 0.069 9 0 "[ . 1 . 2]" 1
703 1 63 GLU H 1 63 GLU QG . . 4.800 2.564 1.716 3.994 . 0 0 "[ . 1 . 2]" 1
704 1 63 GLU HA 1 63 GLU QG . . 3.670 3.329 2.841 3.445 . 0 0 "[ . 1 . 2]" 1
705 1 63 GLU QG 1 64 ILE H . . 6.090 2.438 1.781 3.498 . 0 0 "[ . 1 . 2]" 1
706 1 63 GLU QG 1 64 ILE HB . . 4.830 4.781 4.580 4.964 0.134 7 0 "[ . 1 . 2]" 1
707 1 63 GLU QG 1 65 ILE HB . . 5.070 4.416 2.913 5.291 0.221 20 0 "[ . 1 . 2]" 1
708 1 65 ILE QG 1 68 TYR H . . 6.380 3.974 3.415 5.009 . 0 0 "[ . 1 . 2]" 1
709 1 65 ILE MD 1 68 TYR QB . . 5.300 3.761 2.112 5.257 . 0 0 "[ . 1 . 2]" 1
710 1 65 ILE MD 1 88 ILE QG . . 4.320 3.774 2.869 4.134 . 0 0 "[ . 1 . 2]" 1
711 1 67 LYS HA 1 67 LYS QD . . 4.630 3.268 1.890 4.400 . 0 0 "[ . 1 . 2]" 1
712 1 68 TYR QB 1 72 THR MG . . 4.880 3.077 2.074 4.336 . 0 0 "[ . 1 . 2]" 1
713 1 68 TYR QE 1 116 VAL QG . . 5.780 5.578 4.688 5.798 0.018 19 0 "[ . 1 . 2]" 1
714 1 72 THR MG 1 86 LEU QD . . 6.600 2.375 1.547 3.159 . 0 0 "[ . 1 . 2]" 1
715 1 72 THR MG 1 88 ILE QG . . 4.300 1.817 1.538 2.159 . 0 0 "[ . 1 . 2]" 1
716 1 73 GLU H 1 87 ARG QB . . 6.040 2.703 2.145 3.403 . 0 0 "[ . 1 . 2]" 1
717 1 73 GLU HA 1 73 GLU QG . . 3.840 2.708 2.089 3.420 . 0 0 "[ . 1 . 2]" 1
718 1 73 GLU QB 1 75 LEU QD . . 6.280 3.270 2.450 4.815 . 0 0 "[ . 1 . 2]" 1
719 1 73 GLU HB2 1 75 LEU MD2 . . 8.020 5.331 3.327 7.634 . 0 0 "[ . 1 . 2]" 1
720 1 73 GLU HB3 1 75 LEU MD2 . . 8.020 4.886 2.554 7.753 . 0 0 "[ . 1 . 2]" 1
721 1 73 GLU QB 1 87 ARG QB . . 4.550 2.357 1.829 3.770 . 0 0 "[ . 1 . 2]" 1
722 1 73 GLU QG 1 74 LEU QB . . 7.210 5.271 4.276 6.099 . 0 0 "[ . 1 . 2]" 1
723 1 73 GLU QG 1 75 LEU QD . . 5.580 3.320 1.977 4.817 . 0 0 "[ . 1 . 2]" 1
724 1 73 GLU HG2 1 75 LEU MD2 . . 7.480 5.267 2.138 7.481 0.001 7 0 "[ . 1 . 2]" 1
725 1 73 GLU HG3 1 75 LEU MD2 . . 7.480 5.035 2.169 7.380 . 0 0 "[ . 1 . 2]" 1
726 1 73 GLU QG 1 87 ARG QB . . 5.220 3.156 1.600 4.088 . 0 0 "[ . 1 . 2]" 1
727 1 74 LEU H 1 75 LEU QD . . 7.070 4.676 3.983 5.691 . 0 0 "[ . 1 . 2]" 1
728 1 74 LEU QB 1 76 LYS QE . . 7.220 4.603 2.736 6.678 . 0 0 "[ . 1 . 2]" 1
729 1 74 LEU QB 1 86 LEU HG . . 6.260 5.323 5.017 5.772 . 0 0 "[ . 1 . 2]" 1
730 1 74 LEU HG 1 84 VAL QG . . 6.180 3.373 2.433 4.051 . 0 0 "[ . 1 . 2]" 1
731 1 74 LEU QD 1 75 LEU H . . 6.450 3.327 2.371 4.058 . 0 0 "[ . 1 . 2]" 1
732 1 74 LEU QD 1 76 LYS QB . . 6.530 3.615 2.109 4.774 . 0 0 "[ . 1 . 2]" 1
733 1 74 LEU MD2 1 76 LYS HB2 . . 8.520 4.276 2.126 6.656 . 0 0 "[ . 1 . 2]" 1
734 1 74 LEU MD2 1 76 LYS HB3 . . 8.520 4.901 3.606 6.880 . 0 0 "[ . 1 . 2]" 1
735 1 74 LEU QD 1 76 LYS QG . . 6.410 2.585 1.854 3.506 . 0 0 "[ . 1 . 2]" 1
736 1 74 LEU MD2 1 76 LYS HG2 . . 8.640 3.636 2.408 5.652 . 0 0 "[ . 1 . 2]" 1
737 1 74 LEU MD2 1 76 LYS HG3 . . 8.640 3.053 1.867 4.760 . 0 0 "[ . 1 . 2]" 1
738 1 74 LEU QD 1 76 LYS QD . . 6.500 3.436 1.779 5.051 . 0 0 "[ . 1 . 2]" 1
739 1 74 LEU MD2 1 76 LYS HD2 . . 8.180 4.299 2.041 6.494 . 0 0 "[ . 1 . 2]" 1
740 1 74 LEU MD2 1 76 LYS HD3 . . 8.180 4.115 1.794 6.803 . 0 0 "[ . 1 . 2]" 1
741 1 74 LEU QD 1 76 LYS QE . . 5.140 3.453 2.229 4.806 . 0 0 "[ . 1 . 2]" 1
742 1 74 LEU MD2 1 76 LYS HE2 . . 7.060 4.209 2.251 5.955 . 0 0 "[ . 1 . 2]" 1
743 1 74 LEU QD 1 79 ILE QG . . 6.610 5.441 4.740 6.498 . 0 0 "[ . 1 . 2]" 1
744 1 74 LEU MD2 1 79 ILE HG12 . . 8.640 6.841 5.685 8.530 . 0 0 "[ . 1 . 2]" 1
745 1 74 LEU MD2 1 79 ILE HG13 . . 8.640 6.568 5.284 8.552 . 0 0 "[ . 1 . 2]" 1
746 1 74 LEU QD 1 79 ILE MD . . 5.850 3.837 3.174 4.775 . 0 0 "[ . 1 . 2]" 1
747 1 74 LEU QD 1 84 VAL HB . . 3.900 3.119 2.409 3.846 . 0 0 "[ . 1 . 2]" 1
748 1 74 LEU QD 1 84 VAL QG . . 6.730 2.589 2.032 3.123 . 0 0 "[ . 1 . 2]" 1
749 1 74 LEU QD 1 85 THR H . . 6.940 3.757 2.845 4.606 . 0 0 "[ . 1 . 2]" 1
750 1 74 LEU QD 1 86 LEU HA . . 5.720 2.864 1.893 3.721 . 0 0 "[ . 1 . 2]" 1
751 1 74 LEU QD 1 86 LEU QB . . 7.140 2.522 1.713 3.134 . 0 0 "[ . 1 . 2]" 1
752 1 74 LEU QD 1 86 LEU HG . . 5.330 4.102 3.740 4.437 . 0 0 "[ . 1 . 2]" 1
753 1 74 LEU QD 1 86 LEU QD . . 6.020 1.845 1.639 2.145 . 0 0 "[ . 1 . 2]" 1
754 1 75 LEU QD 1 76 LYS H . . 6.400 3.780 3.146 4.309 . 0 0 "[ . 1 . 2]" 1
755 1 75 LEU QD 1 77 ASP QB . . 6.880 3.533 2.221 4.734 . 0 0 "[ . 1 . 2]" 1
756 1 75 LEU MD2 1 77 ASP HB2 . . 8.610 4.450 3.205 5.822 . 0 0 "[ . 1 . 2]" 1
757 1 75 LEU MD2 1 77 ASP HB3 . . 8.610 4.872 3.242 6.496 . 0 0 "[ . 1 . 2]" 1
758 1 75 LEU QD 1 87 ARG QB . . 5.820 3.114 2.278 4.920 . 0 0 "[ . 1 . 2]" 1
759 1 75 LEU MD1 1 87 ARG HB2 . . 7.530 3.667 2.442 5.598 . 0 0 "[ . 1 . 2]" 1
760 1 75 LEU MD1 1 87 ARG HB3 . . 7.530 4.872 3.587 6.857 . 0 0 "[ . 1 . 2]" 1
761 1 75 LEU QD 1 87 ARG QD . . 4.110 2.613 1.988 3.440 . 0 0 "[ . 1 . 2]" 1
762 1 76 LYS H 1 76 LYS QG . . 5.040 3.360 2.222 4.072 . 0 0 "[ . 1 . 2]" 1
763 1 76 LYS HA 1 76 LYS QD . . 5.000 3.756 2.995 4.220 . 0 0 "[ . 1 . 2]" 1
764 1 76 LYS HA 1 76 LYS QE . . 6.300 4.471 3.957 5.079 . 0 0 "[ . 1 . 2]" 1
765 1 76 LYS QB 1 77 ASP HA . . 4.920 4.041 3.802 4.269 . 0 0 "[ . 1 . 2]" 1
766 1 76 LYS QB 1 79 ILE HB . . 5.920 3.252 2.256 4.052 . 0 0 "[ . 1 . 2]" 1
767 1 76 LYS QB 1 79 ILE MD . . 4.870 3.414 2.028 4.469 . 0 0 "[ . 1 . 2]" 1
768 1 76 LYS QG 1 79 ILE MD . . 4.840 2.444 1.752 3.734 . 0 0 "[ . 1 . 2]" 1
769 1 78 GLY QA 1 79 ILE HB . . 6.380 4.736 4.663 4.809 . 0 0 "[ . 1 . 2]" 1
770 1 78 GLY QA 1 83 LYS H . . 6.380 3.438 3.174 3.793 . 0 0 "[ . 1 . 2]" 1
771 1 78 GLY QA 1 83 LYS QB . . 4.690 2.349 1.681 3.038 . 0 0 "[ . 1 . 2]" 1
772 1 79 ILE H 1 80 GLY QA . . 5.570 4.645 4.540 4.754 . 0 0 "[ . 1 . 2]" 1
773 1 79 ILE HB 1 84 VAL QG . . 6.140 3.123 2.653 3.511 . 0 0 "[ . 1 . 2]" 1
774 1 79 ILE MG 1 80 GLY QA . . 5.610 2.875 2.680 3.011 . 0 0 "[ . 1 . 2]" 1
775 1 79 ILE QG 1 84 VAL QG . . 6.010 2.903 2.316 3.678 . 0 0 "[ . 1 . 2]" 1
776 1 79 ILE HG12 1 84 VAL MG1 . . 7.850 4.228 3.733 4.613 . 0 0 "[ . 1 . 2]" 1
777 1 79 ILE HG13 1 84 VAL MG1 . . 7.850 3.236 2.371 4.746 . 0 0 "[ . 1 . 2]" 1
778 1 80 GLY QA 1 81 GLU QG . . 6.330 4.191 3.196 4.991 . 0 0 "[ . 1 . 2]" 1
779 1 81 GLU QB 1 83 LYS QD . . 7.200 2.339 1.935 3.604 . 0 0 "[ . 1 . 2]" 1
780 1 81 GLU QB 1 83 LYS QE . . 5.460 3.155 2.110 3.946 . 0 0 "[ . 1 . 2]" 1
781 1 81 GLU HB2 1 83 LYS HE3 . . 6.490 4.965 2.303 6.521 0.031 14 0 "[ . 1 . 2]" 1
782 1 81 GLU HB3 1 83 LYS HE3 . . 6.490 4.477 3.036 6.519 0.029 8 0 "[ . 1 . 2]" 1
783 1 81 GLU QG 1 83 LYS QD . . 6.530 4.022 3.115 5.354 . 0 0 "[ . 1 . 2]" 1
784 1 82 GLY QA 1 83 LYS QD . . 4.820 3.674 3.266 4.225 . 0 0 "[ . 1 . 2]" 1
785 1 82 GLY HA2 1 83 LYS HD2 . . 5.850 5.265 4.559 5.903 0.053 6 0 "[ . 1 . 2]" 1
786 1 82 GLY HA3 1 83 LYS HD2 . . 5.850 4.301 3.492 5.086 . 0 0 "[ . 1 . 2]" 1
787 1 83 LYS QB 1 84 VAL H . . 6.380 3.168 2.992 3.320 . 0 0 "[ . 1 . 2]" 1
788 1 83 LYS QG 1 84 VAL H . . 5.300 3.836 3.320 4.103 . 0 0 "[ . 1 . 2]" 1
789 1 84 VAL QG 1 85 THR HA . . 6.060 4.238 3.918 4.433 . 0 0 "[ . 1 . 2]" 1
790 1 86 LEU HG 1 88 ILE QG . . 4.710 2.056 1.715 3.054 . 0 0 "[ . 1 . 2]" 1
791 1 86 LEU QD 1 87 ARG H . . 6.870 2.538 2.139 3.455 . 0 0 "[ . 1 . 2]" 1
792 1 86 LEU QD 1 88 ILE QG . . 5.100 2.537 2.353 2.800 . 0 0 "[ . 1 . 2]" 1
793 1 86 LEU MD2 1 88 ILE HG13 . . 6.490 3.094 2.612 3.732 . 0 0 "[ . 1 . 2]" 1
794 1 86 LEU QD 1 88 ILE MD . . 5.470 1.981 1.567 2.339 . 0 0 "[ . 1 . 2]" 1
795 1 87 ARG QG 1 88 ILE H . . 6.380 3.671 3.286 4.322 . 0 0 "[ . 1 . 2]" 1
796 1 88 ILE H 1 88 ILE QG . . 5.050 3.066 2.571 3.735 . 0 0 "[ . 1 . 2]" 1
797 1 89 PHE QB 1 90 ASN HA . . 5.820 4.799 4.171 5.349 . 0 0 "[ . 1 . 2]" 1
798 1 90 ASN HA 1 91 VAL QG . . 6.190 3.785 3.054 4.216 . 0 0 "[ . 1 . 2]" 1
799 1 90 ASN QB 1 92 THR MG . . 5.350 4.487 3.924 4.920 . 0 0 "[ . 1 . 2]" 1
800 1 91 VAL QG 1 118 ILE HB . . 6.560 4.448 3.767 5.411 . 0 0 "[ . 1 . 2]" 1
801 1 91 VAL QG 1 118 ILE QG . . 7.140 2.570 1.794 3.656 . 0 0 "[ . 1 . 2]" 1
802 1 93 VAL QG 1 94 ASP QB . . 7.530 3.415 2.928 4.419 . 0 0 "[ . 1 . 2]" 1
803 1 93 VAL QG 1 118 ILE HB . . 6.730 4.157 2.977 5.304 . 0 0 "[ . 1 . 2]" 1
804 1 94 ASP H 1 94 ASP QB . . 3.810 2.254 2.054 2.829 . 0 0 "[ . 1 . 2]" 1
805 1 96 ASP HA 1 116 VAL QG . . 5.390 2.394 1.827 3.264 . 0 0 "[ . 1 . 2]" 1
806 1 96 ASP HA 1 118 ILE QG . . 5.780 3.721 2.497 4.443 . 0 0 "[ . 1 . 2]" 1
807 1 96 ASP QB 1 118 ILE QG . . 7.120 2.704 1.529 3.725 . 0 0 "[ . 1 . 2]" 1
808 1 99 TYR QB 1 116 VAL QG . . 7.610 3.106 2.288 4.607 . 0 0 "[ . 1 . 2]" 1
809 1 99 TYR QE 1 116 VAL QG . . 6.780 2.610 1.792 3.088 . 0 0 "[ . 1 . 2]" 1
810 1 99 TYR HD2 1 116 VAL QG . . 6.160 4.141 1.763 5.780 . 0 0 "[ . 1 . 2]" 1
811 1 101 CYS HA 1 102 VAL QG . . 6.640 3.654 3.382 4.427 . 0 0 "[ . 1 . 2]" 1
812 1 102 VAL QG 1 103 PHE QB . . 6.210 4.244 4.006 4.408 . 0 0 "[ . 1 . 2]" 1
813 1 102 VAL MG1 1 103 PHE HB2 . . 7.930 4.783 4.387 5.611 . 0 0 "[ . 1 . 2]" 1
814 1 102 VAL MG1 1 103 PHE HB3 . . 7.930 5.219 4.781 5.468 . 0 0 "[ . 1 . 2]" 1
815 1 102 VAL QG 1 111 GLU QB . . 6.640 2.395 1.422 3.623 . 0 0 "[ . 1 . 2]" 1
816 1 102 VAL QG 1 111 GLU QG . . 7.550 2.589 1.757 3.953 . 0 0 "[ . 1 . 2]" 1
817 1 103 PHE QB 1 103 PHE HE1 . . 4.960 4.479 4.358 4.644 . 0 0 "[ . 1 . 2]" 1
818 1 103 PHE QB 1 104 LYS QG . . 5.620 4.680 4.350 4.996 . 0 0 "[ . 1 . 2]" 1
819 1 103 PHE HB2 1 104 LYS HG2 . . 6.570 6.185 5.535 6.608 0.038 15 0 "[ . 1 . 2]" 1
820 1 103 PHE HB3 1 104 LYS HG2 . . 6.570 6.138 5.283 6.601 0.031 4 0 "[ . 1 . 2]" 1
821 1 104 LYS HA 1 105 ASP QB . . 6.030 4.192 4.069 4.498 . 0 0 "[ . 1 . 2]" 1
822 1 104 LYS HA 1 109 TYR QB . . 4.790 2.727 2.377 3.328 . 0 0 "[ . 1 . 2]" 1
823 1 104 LYS QB 1 109 TYR QB . . 5.980 3.057 1.846 3.833 . 0 0 "[ . 1 . 2]" 1
824 1 104 LYS HB2 1 109 TYR HB2 . . 7.020 4.894 4.040 6.174 . 0 0 "[ . 1 . 2]" 1
825 1 104 LYS HB2 1 109 TYR HB3 . . 7.020 4.618 2.939 6.299 . 0 0 "[ . 1 . 2]" 1
826 1 105 ASP QB 1 108 PHE HZ . . 6.290 5.271 3.883 6.351 0.061 5 0 "[ . 1 . 2]" 1
827 1 105 ASP QB 1 108 PHE HE2 . . 5.580 3.775 2.366 5.620 0.040 20 0 "[ . 1 . 2]" 1
828 1 105 ASP QB 1 108 PHE QD . . 5.780 2.671 1.898 4.128 . 0 0 "[ . 1 . 2]" 1
829 1 111 GLU QG 1 112 HIS H . . 6.320 3.769 2.799 4.596 . 0 0 "[ . 1 . 2]" 1
830 1 116 VAL HA 1 117 LYS QB . . 6.300 4.306 3.772 4.733 . 0 0 "[ . 1 . 2]" 1
831 1 116 VAL HB 1 118 ILE QG . . 6.200 5.404 4.038 6.240 0.040 2 0 "[ . 1 . 2]" 1
832 1 116 VAL QG 1 117 LYS H . . 6.580 2.252 1.828 2.880 . 0 0 "[ . 1 . 2]" 1
833 1 116 VAL QG 1 117 LYS QB . . 7.650 4.044 3.680 4.355 . 0 0 "[ . 1 . 2]" 1
834 1 116 VAL QG 1 118 ILE HB . . 6.820 4.374 3.217 5.768 . 0 0 "[ . 1 . 2]" 1
835 1 116 VAL QG 1 118 ILE QG . . 6.490 3.353 2.311 4.650 . 0 0 "[ . 1 . 2]" 1
836 1 117 LYS HA 1 117 LYS QE . . 6.230 3.717 2.296 4.988 . 0 0 "[ . 1 . 2]" 1
837 1 117 LYS QB 1 119 THR MG . . 6.100 3.637 2.372 5.430 . 0 0 "[ . 1 . 2]" 1
838 1 117 LYS QE 1 119 THR MG . . 5.500 5.042 3.359 5.664 0.164 14 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 76
_Distance_constraint_stats_list.Viol_count 395
_Distance_constraint_stats_list.Viol_total 432.959
_Distance_constraint_stats_list.Viol_max 0.297
_Distance_constraint_stats_list.Viol_rms 0.0336
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0142
_Distance_constraint_stats_list.Viol_average_violations_only 0.0548
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 15 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ALA 0.166 0.046 5 0 "[ . 1 . 2]"
1 21 GLY 0.157 0.057 10 0 "[ . 1 . 2]"
1 23 LEU 0.006 0.003 9 0 "[ . 1 . 2]"
1 25 LEU 0.114 0.041 7 0 "[ . 1 . 2]"
1 27 CYS 0.869 0.078 12 0 "[ . 1 . 2]"
1 29 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ALA 1.434 0.124 3 0 "[ . 1 . 2]"
1 38 MET 1.434 0.124 3 0 "[ . 1 . 2]"
1 39 GLU 1.082 0.116 16 0 "[ . 1 . 2]"
1 40 ILE 0.466 0.081 15 0 "[ . 1 . 2]"
1 41 ARG 0.142 0.077 15 0 "[ . 1 . 2]"
1 43 PHE 3.763 0.203 1 0 "[ . 1 . 2]"
1 54 TYR 0.466 0.081 15 0 "[ . 1 . 2]"
1 55 ARG 1.872 0.165 8 0 "[ . 1 . 2]"
1 58 LYS 1.872 0.165 8 0 "[ . 1 . 2]"
1 71 ARG 1.175 0.101 9 0 "[ . 1 . 2]"
1 73 GLU 0.077 0.036 4 0 "[ . 1 . 2]"
1 75 LEU 2.839 0.137 10 0 "[ . 1 . 2]"
1 76 LYS 0.182 0.051 8 0 "[ . 1 . 2]"
1 78 GLY 0.783 0.092 2 0 "[ . 1 . 2]"
1 79 ILE 0.537 0.065 3 0 "[ . 1 . 2]"
1 81 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 GLY 0.355 0.065 3 0 "[ . 1 . 2]"
1 83 LYS 0.783 0.092 2 0 "[ . 1 . 2]"
1 84 VAL 0.869 0.078 12 0 "[ . 1 . 2]"
1 85 THR 2.839 0.137 10 0 "[ . 1 . 2]"
1 86 LEU 0.114 0.041 7 0 "[ . 1 . 2]"
1 87 ARG 0.077 0.036 4 0 "[ . 1 . 2]"
1 88 ILE 0.006 0.003 9 0 "[ . 1 . 2]"
1 89 PHE 1.175 0.101 9 0 "[ . 1 . 2]"
1 90 ASN 0.157 0.057 10 0 "[ . 1 . 2]"
1 92 THR 3.149 0.297 2 0 "[ . 1 . 2]"
1 96 ASP 3.149 0.297 2 0 "[ . 1 . 2]"
1 97 GLY 1.307 0.108 13 0 "[ . 1 . 2]"
1 99 TYR 0.354 0.105 12 0 "[ . 1 . 2]"
1 100 HIS 3.763 0.203 1 0 "[ . 1 . 2]"
1 101 CYS 0.471 0.091 4 0 "[ . 1 . 2]"
1 102 VAL 0.142 0.077 15 0 "[ . 1 . 2]"
1 103 PHE 0.391 0.073 8 0 "[ . 1 . 2]"
1 104 LYS 1.082 0.116 16 0 "[ . 1 . 2]"
1 105 ASP 0.493 0.086 10 0 "[ . 1 . 2]"
1 108 PHE 0.493 0.086 10 0 "[ . 1 . 2]"
1 110 GLU 0.391 0.073 8 0 "[ . 1 . 2]"
1 112 HIS 0.471 0.091 4 0 "[ . 1 . 2]"
1 114 THR 0.354 0.105 12 0 "[ . 1 . 2]"
1 116 VAL 1.307 0.108 13 0 "[ . 1 . 2]"
1 117 LYS 0.166 0.046 5 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 17 ALA H 1 117 LYS O . . 2.000 1.934 1.783 2.046 0.046 5 0 "[ . 1 . 2]" 2
2 1 17 ALA N 1 117 LYS O . . 3.000 2.841 2.725 2.967 . 0 0 "[ . 1 . 2]" 2
3 1 23 LEU H 1 88 ILE O . . 2.000 1.831 1.738 2.003 0.003 9 0 "[ . 1 . 2]" 2
4 1 23 LEU N 1 88 ILE O . . 3.000 2.765 2.687 2.914 . 0 0 "[ . 1 . 2]" 2
5 1 25 LEU H 1 86 LEU O . . 2.000 1.874 1.763 2.041 0.041 7 0 "[ . 1 . 2]" 2
6 1 25 LEU N 1 86 LEU O . . 3.000 2.841 2.745 2.986 . 0 0 "[ . 1 . 2]" 2
7 1 27 CYS H 1 84 VAL O . . 2.000 1.993 1.915 2.075 0.075 2 0 "[ . 1 . 2]" 2
8 1 27 CYS N 1 84 VAL O . . 3.000 2.948 2.857 3.014 0.014 16 0 "[ . 1 . 2]" 2
9 1 29 LEU H 1 82 GLY O . . 2.000 1.819 1.698 1.999 . 0 0 "[ . 1 . 2]" 2
10 1 29 LEU N 1 82 GLY O . . 3.000 2.745 2.637 2.906 . 0 0 "[ . 1 . 2]" 2
11 1 35 ALA O 1 38 MET H . . 2.000 2.066 1.979 2.124 0.124 3 0 "[ . 1 . 2]" 2
12 1 35 ALA O 1 38 MET N . . 3.000 2.984 2.863 3.022 0.022 4 0 "[ . 1 . 2]" 2
13 1 39 GLU H 1 104 LYS O . . 2.000 1.987 1.742 2.116 0.116 16 0 "[ . 1 . 2]" 2
14 1 39 GLU N 1 104 LYS O . . 3.000 2.914 2.651 3.075 0.075 16 0 "[ . 1 . 2]" 2
15 1 40 ILE H 1 54 TYR O . . 2.000 1.906 1.773 2.060 0.060 15 0 "[ . 1 . 2]" 2
16 1 40 ILE N 1 54 TYR O . . 3.000 2.855 2.713 2.955 . 0 0 "[ . 1 . 2]" 2
17 1 41 ARG H 1 102 VAL O . . 2.000 1.857 1.728 2.077 0.077 15 0 "[ . 1 . 2]" 2
18 1 41 ARG N 1 102 VAL O . . 3.000 2.765 2.658 2.974 . 0 0 "[ . 1 . 2]" 2
19 1 43 PHE H 1 100 HIS O . . 2.000 2.139 2.087 2.203 0.203 1 0 "[ . 1 . 2]" 2
20 1 43 PHE N 1 100 HIS O . . 3.000 3.031 2.983 3.080 0.080 11 0 "[ . 1 . 2]" 2
21 1 40 ILE O 1 54 TYR H . . 2.000 1.932 1.765 2.081 0.081 15 0 "[ . 1 . 2]" 2
22 1 40 ILE O 1 54 TYR N . . 3.000 2.845 2.704 3.031 0.031 11 0 "[ . 1 . 2]" 2
23 1 55 ARG H 1 58 LYS O . . 2.000 2.070 1.818 2.165 0.165 8 0 "[ . 1 . 2]" 2
24 1 55 ARG N 1 58 LYS O . . 3.000 2.965 2.785 3.067 0.067 11 0 "[ . 1 . 2]" 2
25 1 73 GLU H 1 87 ARG O . . 2.000 1.908 1.781 2.036 0.036 4 0 "[ . 1 . 2]" 2
26 1 73 GLU N 1 87 ARG O . . 3.000 2.832 2.727 2.911 . 0 0 "[ . 1 . 2]" 2
27 1 75 LEU H 1 85 THR O . . 2.000 1.794 1.723 1.883 . 0 0 "[ . 1 . 2]" 2
28 1 75 LEU N 1 85 THR O . . 3.000 2.710 2.674 2.785 . 0 0 "[ . 1 . 2]" 2
29 1 76 LYS O 1 79 ILE H . . 2.000 1.972 1.847 2.051 0.051 8 0 "[ . 1 . 2]" 2
30 1 76 LYS O 1 79 ILE N . . 3.000 2.874 2.777 2.939 . 0 0 "[ . 1 . 2]" 2
31 1 78 GLY O 1 81 GLU H . . 2.000 1.847 1.775 1.918 . 0 0 "[ . 1 . 2]" 2
32 1 78 GLY O 1 81 GLU N . . 3.000 2.739 2.681 2.825 . 0 0 "[ . 1 . 2]" 2
33 1 79 ILE O 1 82 GLY H . . 2.000 2.007 1.930 2.065 0.065 3 0 "[ . 1 . 2]" 2
34 1 79 ILE O 1 82 GLY N . . 3.000 2.895 2.834 2.971 . 0 0 "[ . 1 . 2]" 2
35 1 78 GLY O 1 83 LYS H . . 2.000 2.037 1.992 2.092 0.092 2 0 "[ . 1 . 2]" 2
36 1 78 GLY O 1 83 LYS N . . 3.000 2.938 2.863 3.015 0.015 4 0 "[ . 1 . 2]" 2
37 1 27 CYS O 1 84 VAL H . . 2.000 1.953 1.768 2.078 0.078 12 0 "[ . 1 . 2]" 2
38 1 27 CYS O 1 84 VAL N . . 3.000 2.912 2.747 3.026 0.026 18 0 "[ . 1 . 2]" 2
39 1 75 LEU O 1 85 THR H . . 2.000 2.080 2.027 2.137 0.137 10 0 "[ . 1 . 2]" 2
40 1 75 LEU O 1 85 THR N . . 3.000 3.062 3.011 3.126 0.126 10 0 "[ . 1 . 2]" 2
41 1 25 LEU O 1 86 LEU H . . 2.000 1.869 1.755 2.033 0.033 16 0 "[ . 1 . 2]" 2
42 1 25 LEU O 1 86 LEU N . . 3.000 2.775 2.682 2.896 . 0 0 "[ . 1 . 2]" 2
43 1 73 GLU O 1 87 ARG H . . 2.000 1.784 1.731 1.967 . 0 0 "[ . 1 . 2]" 2
44 1 73 GLU O 1 87 ARG N . . 3.000 2.735 2.685 2.910 . 0 0 "[ . 1 . 2]" 2
45 1 23 LEU O 1 88 ILE H . . 2.000 1.847 1.764 1.969 . 0 0 "[ . 1 . 2]" 2
46 1 23 LEU O 1 88 ILE N . . 3.000 2.816 2.715 2.946 . 0 0 "[ . 1 . 2]" 2
47 1 71 ARG O 1 89 PHE H . . 2.000 2.033 1.833 2.101 0.101 9 0 "[ . 1 . 2]" 2
48 1 71 ARG O 1 89 PHE N . . 3.000 2.967 2.799 3.040 0.040 10 0 "[ . 1 . 2]" 2
49 1 21 GLY O 1 90 ASN H . . 2.000 1.912 1.770 2.057 0.057 10 0 "[ . 1 . 2]" 2
50 1 21 GLY O 1 90 ASN N . . 3.000 2.786 2.681 2.916 . 0 0 "[ . 1 . 2]" 2
51 1 92 THR O 1 96 ASP H . . 2.000 2.157 2.079 2.297 0.297 2 0 "[ . 1 . 2]" 2
52 1 92 THR O 1 96 ASP N . . 3.000 2.839 2.693 2.956 . 0 0 "[ . 1 . 2]" 2
53 1 99 TYR H 1 114 THR O . . 2.000 1.849 1.743 2.035 0.035 14 0 "[ . 1 . 2]" 2
54 1 99 TYR N 1 114 THR O . . 3.000 2.726 2.638 2.819 . 0 0 "[ . 1 . 2]" 2
55 1 43 PHE O 1 100 HIS H . . 2.000 1.914 1.759 2.089 0.089 7 0 "[ . 1 . 2]" 2
56 1 43 PHE O 1 100 HIS N . . 3.000 2.809 2.667 2.946 . 0 0 "[ . 1 . 2]" 2
57 1 101 CYS H 1 112 HIS O . . 2.000 1.960 1.794 2.091 0.091 4 0 "[ . 1 . 2]" 2
58 1 101 CYS N 1 112 HIS O . . 3.000 2.888 2.713 3.019 0.019 6 0 "[ . 1 . 2]" 2
59 1 41 ARG O 1 102 VAL H . . 2.000 1.781 1.688 1.901 . 0 0 "[ . 1 . 2]" 2
60 1 41 ARG O 1 102 VAL N . . 3.000 2.713 2.634 2.821 . 0 0 "[ . 1 . 2]" 2
61 1 103 PHE H 1 110 GLU O . . 2.000 1.962 1.814 2.054 0.054 1 0 "[ . 1 . 2]" 2
62 1 103 PHE N 1 110 GLU O . . 3.000 2.880 2.787 2.979 . 0 0 "[ . 1 . 2]" 2
63 1 39 GLU O 1 104 LYS H . . 2.000 1.870 1.738 2.044 0.044 18 0 "[ . 1 . 2]" 2
64 1 39 GLU O 1 104 LYS N . . 3.000 2.788 2.691 2.943 . 0 0 "[ . 1 . 2]" 2
65 1 105 ASP H 1 108 PHE O . . 2.000 1.974 1.742 2.086 0.086 10 0 "[ . 1 . 2]" 2
66 1 105 ASP N 1 108 PHE O . . 3.000 2.812 2.691 2.926 . 0 0 "[ . 1 . 2]" 2
67 1 103 PHE O 1 110 GLU H . . 2.000 1.933 1.788 2.073 0.073 8 0 "[ . 1 . 2]" 2
68 1 103 PHE O 1 110 GLU N . . 3.000 2.857 2.735 2.966 . 0 0 "[ . 1 . 2]" 2
69 1 101 CYS O 1 112 HIS H . . 2.000 1.818 1.720 2.037 0.037 1 0 "[ . 1 . 2]" 2
70 1 101 CYS O 1 112 HIS N . . 3.000 2.750 2.686 2.886 . 0 0 "[ . 1 . 2]" 2
71 1 99 TYR O 1 114 THR H . . 2.000 1.931 1.778 2.105 0.105 12 0 "[ . 1 . 2]" 2
72 1 99 TYR O 1 114 THR N . . 3.000 2.860 2.759 3.000 . 2 0 "[ . 1 . 2]" 2
73 1 97 GLY O 1 116 VAL H . . 2.000 2.043 1.944 2.108 0.108 13 0 "[ . 1 . 2]" 2
74 1 97 GLY O 1 116 VAL N . . 3.000 2.996 2.892 3.090 0.090 13 0 "[ . 1 . 2]" 2
75 1 15 VAL O 1 117 LYS H . . 2.000 1.838 1.736 1.994 . 0 0 "[ . 1 . 2]" 2
76 1 15 VAL O 1 117 LYS N . . 3.000 2.789 2.686 2.975 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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