NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
634858 |
6c44   |
30397 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6c44
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 1713
_Distance_constraint_stats_list.Viol_count 2276
_Distance_constraint_stats_list.Viol_total 4320.825
_Distance_constraint_stats_list.Viol_max 0.975
_Distance_constraint_stats_list.Viol_rms 0.0420
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0063
_Distance_constraint_stats_list.Viol_average_violations_only 0.0949
_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 35 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLY 3.901 0.970 7 1 "[ . + 1 . 2]"
1 37 LEU 1.779 0.110 11 0 "[ . 1 . 2]"
1 38 LEU 0.359 0.097 7 0 "[ . 1 . 2]"
1 39 LEU 1.548 0.970 7 1 "[ . + 1 . 2]"
1 40 GLY 0.984 0.774 7 1 "[ . + 1 . 2]"
1 41 HIS 0.921 0.160 8 0 "[ . 1 . 2]"
1 42 GLY 0.782 0.163 11 0 "[ . 1 . 2]"
1 43 PRO 0.131 0.045 20 0 "[ . 1 . 2]"
1 44 ILE 1.063 0.113 9 0 "[ . 1 . 2]"
1 45 ARG 5.057 0.594 19 3 "[ .* 1 - . +2]"
1 46 MET 3.827 0.711 12 2 "[ - 1 + . 2]"
1 47 VAL 2.888 0.711 12 2 "[ - 1 + . 2]"
1 48 LEU 0.356 0.115 2 0 "[ . 1 . 2]"
1 49 ALA 0.436 0.080 20 0 "[ . 1 . 2]"
1 50 ILE 0.879 0.223 12 0 "[ . 1 . 2]"
1 51 LEU 1.547 0.076 15 0 "[ . 1 . 2]"
1 52 ALA 2.091 0.128 15 0 "[ . 1 . 2]"
1 53 PHE 0.529 0.223 12 0 "[ . 1 . 2]"
1 54 LEU 3.156 0.206 13 0 "[ . 1 . 2]"
1 55 ARG 8.949 0.793 12 3 "[ * 1 +* . 2]"
1 56 PHE 1.195 0.225 9 0 "[ . 1 . 2]"
1 57 THR 5.755 0.225 9 0 "[ . 1 . 2]"
1 58 ALA 0.151 0.044 5 0 "[ . 1 . 2]"
1 59 ILE 3.893 0.439 10 0 "[ . 1 . 2]"
1 60 LYS 4.018 0.439 10 0 "[ . 1 . 2]"
1 61 PRO 1.586 0.300 7 0 "[ . 1 . 2]"
1 62 SER 0.508 0.065 12 0 "[ . 1 . 2]"
1 63 LEU 3.782 0.190 20 0 "[ . 1 . 2]"
1 64 GLY 0.078 0.065 12 0 "[ . 1 . 2]"
1 65 LEU 1.195 0.069 16 0 "[ . 1 . 2]"
1 66 ILE 5.012 0.448 2 0 "[ . 1 . 2]"
1 67 ASN 3.550 0.448 2 0 "[ . 1 . 2]"
1 68 ARG 3.382 0.943 6 2 "[ .+ 1 . -]"
1 69 TRP 9.347 0.259 14 0 "[ . 1 . 2]"
1 70 GLY 5.296 0.558 9 1 "[ . +1 . 2]"
1 71 SER 1.770 0.943 6 2 "[ .+ 1 . -]"
1 72 VAL 2.073 0.183 3 0 "[ . 1 . 2]"
1 73 GLY 2.956 0.231 3 0 "[ . 1 . 2]"
1 74 LYS 11.099 0.753 10 4 "[ . -* + . * 2]"
1 75 LYS 14.274 0.711 11 5 "[* - . * 1+ * . 2]"
1 76 GLU 7.170 0.698 8 1 "[ . + 1 . 2]"
1 77 ALA 2.962 0.546 4 2 "[ +. 1 . - 2]"
1 78 MET 4.795 0.893 4 3 "[ +* 1 . - 2]"
1 79 GLU 5.547 0.711 11 4 "[* - . 1+ * . 2]"
1 80 ILE 1.212 0.102 5 0 "[ . 1 . 2]"
1 81 ILE 0.130 0.022 14 0 "[ . 1 . 2]"
1 82 LYS 0.132 0.052 5 0 "[ . 1 . 2]"
1 84 PHE 5.100 0.382 13 0 "[ . 1 . 2]"
1 85 LYS 8.205 0.454 10 0 "[ . 1 . 2]"
1 86 LYS 0.944 0.251 6 0 "[ . 1 . 2]"
1 87 ASP 2.068 0.446 10 0 "[ . 1 . 2]"
1 88 LEU 2.306 0.279 17 0 "[ . 1 . 2]"
1 89 ALA 1.786 0.408 19 0 "[ . 1 . 2]"
1 90 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 MET 0.047 0.026 2 0 "[ . 1 . 2]"
1 92 LEU 2.246 0.408 19 0 "[ . 1 . 2]"
1 93 ARG 2.265 0.206 11 0 "[ . 1 . 2]"
1 94 ILE 2.810 0.126 19 0 "[ . 1 . 2]"
1 95 ILE 17.748 0.910 4 3 "[ +- 1 . * 2]"
1 96 ASN 2.200 0.663 7 1 "[ . + 1 . 2]"
1 97 ALA 1.928 0.217 19 0 "[ . 1 . 2]"
1 98 ARG 1.351 0.529 9 1 "[ . +1 . 2]"
1 99 LYS 0.979 0.742 8 1 "[ . + 1 . 2]"
1 100 GLU 3.329 0.446 10 0 "[ . 1 . 2]"
1 101 LYS 4.121 0.753 10 3 "[ . * + . - 2]"
1 102 LYS 4.790 0.753 10 2 "[ . + . - 2]"
1 103 ARG 0.258 0.100 18 0 "[ . 1 . 2]"
1 104 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 35 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 36 GLY 3.894 0.975 7 1 "[ . + 1 . 2]"
2 37 LEU 1.750 0.108 11 0 "[ . 1 . 2]"
2 38 LEU 0.360 0.103 7 0 "[ . 1 . 2]"
2 39 LEU 1.555 0.975 7 1 "[ . + 1 . 2]"
2 40 GLY 0.981 0.768 7 1 "[ . + 1 . 2]"
2 41 HIS 0.929 0.165 8 0 "[ . 1 . 2]"
2 42 GLY 0.772 0.161 11 0 "[ . 1 . 2]"
2 43 PRO 0.132 0.047 20 0 "[ . 1 . 2]"
2 44 ILE 1.040 0.115 9 0 "[ . 1 . 2]"
2 45 ARG 5.050 0.596 19 3 "[ .* 1 - . +2]"
2 46 MET 3.787 0.710 12 2 "[ - 1 + . 2]"
2 47 VAL 2.863 0.710 12 2 "[ - 1 + . 2]"
2 48 LEU 0.370 0.117 2 0 "[ . 1 . 2]"
2 49 ALA 0.447 0.075 9 0 "[ . 1 . 2]"
2 50 ILE 0.876 0.221 12 0 "[ . 1 . 2]"
2 51 LEU 1.552 0.077 1 0 "[ . 1 . 2]"
2 52 ALA 2.080 0.124 15 0 "[ . 1 . 2]"
2 53 PHE 0.526 0.221 12 0 "[ . 1 . 2]"
2 54 LEU 3.152 0.205 13 0 "[ . 1 . 2]"
2 55 ARG 8.911 0.789 12 3 "[ * 1 +* . 2]"
2 56 PHE 1.201 0.229 9 0 "[ . 1 . 2]"
2 57 THR 5.748 0.229 9 0 "[ . 1 . 2]"
2 58 ALA 0.143 0.044 5 0 "[ . 1 . 2]"
2 59 ILE 3.881 0.439 10 0 "[ . 1 . 2]"
2 60 LYS 4.013 0.439 10 0 "[ . 1 . 2]"
2 61 PRO 1.574 0.300 7 0 "[ . 1 . 2]"
2 62 SER 0.505 0.060 12 0 "[ . 1 . 2]"
2 63 LEU 3.784 0.189 20 0 "[ . 1 . 2]"
2 64 GLY 0.071 0.060 12 0 "[ . 1 . 2]"
2 65 LEU 1.174 0.070 16 0 "[ . 1 . 2]"
2 66 ILE 4.997 0.449 2 0 "[ . 1 . 2]"
2 67 ASN 3.567 0.449 2 0 "[ . 1 . 2]"
2 68 ARG 3.408 0.940 6 2 "[ .+ 1 . -]"
2 69 TRP 9.323 0.252 15 0 "[ . 1 . 2]"
2 70 GLY 5.195 0.529 9 1 "[ . +1 . 2]"
2 71 SER 1.745 0.940 6 2 "[ .+ 1 . -]"
2 72 VAL 2.062 0.185 9 0 "[ . 1 . 2]"
2 73 GLY 2.945 0.238 3 0 "[ . 1 . 2]"
2 74 LYS 10.901 0.753 10 4 "[ . -* + . * 2]"
2 75 LYS 14.353 0.716 11 5 "[* - . * 1+ * . 2]"
2 76 GLU 7.137 0.698 8 1 "[ . + 1 . 2]"
2 77 ALA 2.963 0.538 4 2 "[ +. 1 . - 2]"
2 78 MET 4.780 0.910 4 3 "[ +* 1 . - 2]"
2 79 GLU 5.593 0.716 11 4 "[* - . 1+ * . 2]"
2 80 ILE 1.221 0.101 5 0 "[ . 1 . 2]"
2 81 ILE 0.124 0.023 14 0 "[ . 1 . 2]"
2 82 LYS 0.123 0.047 5 0 "[ . 1 . 2]"
2 84 PHE 5.067 0.381 13 0 "[ . 1 . 2]"
2 85 LYS 8.112 0.446 10 0 "[ . 1 . 2]"
2 86 LYS 0.949 0.250 6 0 "[ . 1 . 2]"
2 87 ASP 2.101 0.454 10 0 "[ . 1 . 2]"
2 88 LEU 2.303 0.279 17 0 "[ . 1 . 2]"
2 89 ALA 1.780 0.403 19 0 "[ . 1 . 2]"
2 90 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 91 MET 0.044 0.023 2 0 "[ . 1 . 2]"
2 92 LEU 2.244 0.403 19 0 "[ . 1 . 2]"
2 93 ARG 2.283 0.208 11 0 "[ . 1 . 2]"
2 94 ILE 2.844 0.119 19 0 "[ . 1 . 2]"
2 95 ILE 17.924 0.893 4 3 "[ +- 1 . * 2]"
2 96 ASN 2.326 0.676 7 1 "[ . + 1 . 2]"
2 97 ALA 1.950 0.224 19 0 "[ . 1 . 2]"
2 98 ARG 1.377 0.558 9 1 "[ . +1 . 2]"
2 99 LYS 0.996 0.749 8 1 "[ . + 1 . 2]"
2 100 GLU 3.362 0.454 10 0 "[ . 1 . 2]"
2 101 LYS 4.187 0.753 10 3 "[ . * + . - 2]"
2 102 LYS 4.871 0.753 10 2 "[ . + . - 2]"
2 103 ARG 0.260 0.100 18 0 "[ . 1 . 2]"
2 104 ARG 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 1 101 LYS QG 1 102 LYS H 3.365 . 4.780 2.841 1.878 3.962 0.072 3 0 "[ . 1 . 2]" 1
2 2 101 LYS QG 2 102 LYS H 3.365 . 4.780 2.841 1.882 3.965 0.068 3 0 "[ . 1 . 2]" 1
3 1 99 LYS H 1 101 LYS HB3 2.372 . 6.000 5.382 4.211 6.742 0.742 8 1 "[ . + 1 . 2]" 1
4 1 74 LYS QB 2 99 LYS H 2.372 . 6.000 5.382 4.204 6.749 0.749 8 1 "[ . + 1 . 2]" 1
5 1 96 ASN HA 1 97 ALA H 2.558 . 3.376 2.725 2.698 2.753 . 0 0 "[ . 1 . 2]" 1
6 2 96 ASN HA 2 97 ALA H 2.558 . 3.376 2.724 2.696 2.755 . 0 0 "[ . 1 . 2]" 1
7 1 80 ILE HG13 1 81 ILE H 2.236 . 6.000 4.030 3.956 4.106 . 0 0 "[ . 1 . 2]" 1
8 1 92 LEU QB 2 81 ILE H 2.236 . 6.000 4.030 3.960 4.104 . 0 0 "[ . 1 . 2]" 1
9 1 88 LEU MD2 1 91 MET H 3.307 . 4.674 4.613 4.456 4.700 0.026 2 0 "[ . 1 . 2]" 1
10 2 88 LEU MD2 2 91 MET H 3.307 . 4.674 4.612 4.453 4.697 0.023 2 0 "[ . 1 . 2]" 1
11 1 89 ALA MB 1 90 ALA H 2.169 . 2.757 2.079 2.039 2.117 . 0 0 "[ . 1 . 2]" 1
12 2 89 ALA MB 2 90 ALA H 2.169 . 2.757 2.080 2.039 2.119 . 0 0 "[ . 1 . 2]" 1
13 1 86 LYS HA 1 89 ALA H 2.630 . 3.494 2.698 2.660 2.737 . 0 0 "[ . 1 . 2]" 1
14 2 86 LYS HA 2 89 ALA H 2.630 . 3.494 2.699 2.662 2.736 . 0 0 "[ . 1 . 2]" 1
15 1 86 LYS H 1 88 LEU MD2 3.026 . 6.000 5.960 5.863 6.018 0.018 2 0 "[ . 1 . 2]" 1
16 1 88 LEU MD2 2 86 LYS H 3.026 . 6.000 5.960 5.860 6.019 0.019 2 0 "[ . 1 . 2]" 1
17 1 85 LYS H 1 88 LEU MD1 2.572 . 3.399 3.331 3.140 3.475 0.076 6 0 "[ . 1 . 2]" 1
18 1 88 LEU MD1 2 85 LYS H 2.572 . 3.399 3.332 3.136 3.476 0.077 6 0 "[ . 1 . 2]" 1
19 1 77 ALA H 1 79 GLU H 3.206 . 4.491 3.918 3.843 4.008 . 0 0 "[ . 1 . 2]" 1
20 2 77 ALA H 2 79 GLU H 3.206 . 4.491 3.918 3.841 4.006 . 0 0 "[ . 1 . 2]" 1
21 1 79 GLU H 1 81 ILE MD 3.301 . 6.000 5.816 5.712 5.970 . 0 0 "[ . 1 . 2]" 1
22 2 79 GLU H 2 81 ILE MD 3.301 . 6.000 5.817 5.712 5.973 . 0 0 "[ . 1 . 2]" 1
23 1 74 LYS QB 1 78 MET H 3.145 . 4.381 4.066 3.941 4.208 . 0 0 "[ . 1 . 2]" 1
24 1 92 LEU QB 2 78 MET H 3.145 . 4.381 4.066 3.942 4.210 . 0 0 "[ . 1 . 2]" 1
25 1 75 LYS HA 1 76 GLU H 2.538 . 3.343 2.695 2.644 2.725 . 0 0 "[ . 1 . 2]" 1
26 2 75 LYS HA 2 76 GLU H 2.538 . 3.343 2.695 2.640 2.724 . 0 0 "[ . 1 . 2]" 1
27 1 74 LYS H 1 74 LYS QD 2.501 . 6.000 3.635 1.875 5.262 . 0 0 "[ . 1 . 2]" 1
28 2 74 LYS H 2 74 LYS QD 2.501 . 6.000 3.636 1.873 5.265 . 0 0 "[ . 1 . 2]" 1
29 1 49 ALA HA 1 52 ALA H 3.042 . 4.199 3.498 3.339 3.707 . 0 0 "[ . 1 . 2]" 1
30 2 49 ALA HA 2 52 ALA H 3.042 . 4.199 3.498 3.339 3.707 . 0 0 "[ . 1 . 2]" 1
31 1 51 LEU QD 1 52 ALA H 3.419 . 4.880 3.465 3.233 3.823 . 0 0 "[ . 1 . 2]" 1
32 2 51 LEU QD 2 52 ALA H 3.419 . 4.880 3.465 3.232 3.822 . 0 0 "[ . 1 . 2]" 1
33 1 84 PHE HA 1 87 ASP H 2.867 . 3.895 3.171 3.087 3.261 . 0 0 "[ . 1 . 2]" 1
34 2 84 PHE HA 2 87 ASP H 2.867 . 3.895 3.171 3.086 3.261 . 0 0 "[ . 1 . 2]" 1
35 1 74 LYS QG 1 76 GLU H 3.124 . 6.000 4.988 4.171 5.596 . 0 0 "[ . 1 . 2]" 1
36 2 74 LYS QG 2 76 GLU H 3.124 . 6.000 4.988 4.183 5.604 . 0 0 "[ . 1 . 2]" 1
37 1 76 GLU QG 1 81 ILE H 3.085 . 6.000 5.786 5.584 5.918 . 0 0 "[ . 1 . 2]" 1
38 2 76 GLU QG 2 81 ILE H 3.085 . 6.000 5.785 5.580 5.918 . 0 0 "[ . 1 . 2]" 1
39 1 88 LEU H 1 88 LEU QD 3.541 . 5.108 3.084 3.010 3.159 . 0 0 "[ . 1 . 2]" 1
40 2 88 LEU H 2 88 LEU QD 3.541 . 5.108 3.084 3.009 3.158 . 0 0 "[ . 1 . 2]" 1
41 1 38 LEU QD 1 39 LEU H 2.826 . 3.824 2.229 2.023 2.406 . 0 0 "[ . 1 . 2]" 1
42 2 38 LEU QD 2 39 LEU H 2.826 . 3.824 2.227 2.024 2.401 . 0 0 "[ . 1 . 2]" 1
43 1 94 ILE H 1 96 ASN QB 3.258 . 6.000 4.974 4.681 5.534 . 0 0 "[ . 1 . 2]" 1
44 2 94 ILE H 2 96 ASN QB 3.258 . 6.000 4.975 4.678 5.543 . 0 0 "[ . 1 . 2]" 1
45 1 77 ALA H 1 80 ILE H 3.036 . 4.188 3.820 3.726 3.916 . 0 0 "[ . 1 . 2]" 1
46 2 77 ALA H 2 80 ILE H 3.036 . 4.188 3.819 3.724 3.916 . 0 0 "[ . 1 . 2]" 1
47 1 63 LEU QD 1 66 ILE H 2.680 . 6.000 4.353 4.084 4.637 . 0 0 "[ . 1 . 2]" 1
48 2 63 LEU QD 2 66 ILE H 2.680 . 6.000 4.354 4.086 4.636 . 0 0 "[ . 1 . 2]" 1
49 1 49 ALA H 1 50 ILE H 2.831 . 3.833 2.337 2.296 2.374 . 0 0 "[ . 1 . 2]" 1
50 2 49 ALA H 2 50 ILE H 2.831 . 3.833 2.338 2.300 2.380 . 0 0 "[ . 1 . 2]" 1
51 1 48 LEU QD 1 51 LEU H 2.691 . 6.000 4.753 4.440 4.937 . 0 0 "[ . 1 . 2]" 1
52 2 48 LEU QD 2 51 LEU H 2.691 . 6.000 4.753 4.439 4.937 . 0 0 "[ . 1 . 2]" 1
53 1 51 LEU H 1 51 LEU QD 2.991 . 4.109 3.692 3.608 3.739 . 0 0 "[ . 1 . 2]" 1
54 2 51 LEU H 2 51 LEU QD 2.991 . 4.109 3.692 3.606 3.739 . 0 0 "[ . 1 . 2]" 1
55 1 59 ILE HG13 1 60 LYS H 2.772 . 6.000 3.928 3.697 4.263 . 0 0 "[ . 1 . 2]" 1
56 2 59 ILE HG13 2 60 LYS H 2.772 . 6.000 3.929 3.701 4.267 . 0 0 "[ . 1 . 2]" 1
57 1 46 MET H 1 47 VAL HB 2.774 . 6.000 4.740 4.616 4.876 . 0 0 "[ . 1 . 2]" 1
58 2 46 MET H 2 47 VAL HB 2.774 . 6.000 4.740 4.612 4.857 . 0 0 "[ . 1 . 2]" 1
59 1 46 MET H 1 48 LEU QD 2.888 . 6.000 5.369 4.925 5.837 . 0 0 "[ . 1 . 2]" 1
60 2 46 MET H 2 48 LEU QD 2.888 . 6.000 5.369 4.930 5.837 . 0 0 "[ . 1 . 2]" 1
61 1 51 LEU HB2 1 62 SER H 3.420 . 6.000 5.547 3.349 5.955 . 0 0 "[ . 1 . 2]" 1
62 2 51 LEU HB2 2 62 SER H 3.420 . 6.000 5.547 3.361 5.952 . 0 0 "[ . 1 . 2]" 1
63 1 62 SER H 1 63 LEU QD 3.443 . 6.000 5.355 4.054 5.723 . 0 0 "[ . 1 . 2]" 1
64 2 62 SER H 2 63 LEU QD 3.443 . 6.000 5.356 4.057 5.716 . 0 0 "[ . 1 . 2]" 1
65 1 47 VAL H 1 48 LEU QD 3.463 . 4.962 4.394 3.789 5.077 0.115 2 0 "[ . 1 . 2]" 1
66 2 47 VAL H 2 48 LEU QD 3.463 . 4.962 4.395 3.788 5.079 0.117 2 0 "[ . 1 . 2]" 1
67 1 53 PHE H 1 57 THR MG 3.566 . 5.156 4.807 4.599 5.051 . 0 0 "[ . 1 . 2]" 1
68 1 57 THR MG 2 53 PHE H 3.566 . 5.156 4.807 4.602 5.052 . 0 0 "[ . 1 . 2]" 1
69 1 51 LEU QD 1 69 TRP H 3.645 . 5.306 4.886 4.542 5.204 . 0 0 "[ . 1 . 2]" 1
70 2 51 LEU QD 2 69 TRP H 3.645 . 5.306 4.887 4.542 5.207 . 0 0 "[ . 1 . 2]" 1
71 1 37 LEU HA 1 40 GLY H 3.698 . 5.407 3.178 3.055 3.491 . 0 0 "[ . 1 . 2]" 1
72 2 37 LEU HA 2 40 GLY H 3.698 . 5.407 3.178 3.056 3.493 . 0 0 "[ . 1 . 2]" 1
73 1 101 LYS HA 1 102 LYS H 2.300 . 2.961 2.361 2.045 2.809 . 0 0 "[ . 1 . 2]" 1
74 2 101 LYS HA 2 102 LYS H 2.300 . 2.961 2.361 2.047 2.807 . 0 0 "[ . 1 . 2]" 1
75 1 48 LEU H 1 49 ALA H 3.153 . 4.396 2.373 2.318 2.437 . 0 0 "[ . 1 . 2]" 1
76 2 48 LEU H 2 49 ALA H 3.153 . 4.396 2.374 2.320 2.437 . 0 0 "[ . 1 . 2]" 1
77 1 53 PHE H 1 54 LEU H 3.124 . 4.344 2.482 2.419 2.576 . 0 0 "[ . 1 . 2]" 1
78 2 53 PHE H 2 54 LEU H 3.124 . 4.344 2.482 2.421 2.578 . 0 0 "[ . 1 . 2]" 1
79 1 44 ILE H 1 72 VAL QG 3.619 . 5.256 4.327 4.151 4.658 . 0 0 "[ . 1 . 2]" 1
80 2 44 ILE H 2 72 VAL QG 3.619 . 5.256 4.327 4.151 4.661 . 0 0 "[ . 1 . 2]" 1
81 1 49 ALA MB 1 53 PHE H 3.508 . 5.046 4.239 4.003 4.458 . 0 0 "[ . 1 . 2]" 1
82 1 49 ALA MB 2 53 PHE H 3.508 . 5.046 4.238 4.004 4.458 . 0 0 "[ . 1 . 2]" 1
83 1 55 ARG QG 1 57 THR H 3.721 . 5.452 5.514 5.035 5.631 0.179 7 0 "[ . 1 . 2]" 1
84 2 55 ARG QG 2 57 THR H 3.721 . 5.452 5.513 5.034 5.628 0.176 7 0 "[ . 1 . 2]" 1
85 1 72 VAL QG 1 81 ILE H 2.425 . 6.000 5.683 5.368 5.927 . 0 0 "[ . 1 . 2]" 1
86 1 72 VAL MG1 2 92 LEU H 2.425 . 6.000 5.683 5.367 5.926 . 0 0 "[ . 1 . 2]" 1
87 1 75 LYS QG 1 77 ALA H 2.419 . 6.000 4.561 4.398 4.702 . 0 0 "[ . 1 . 2]" 1
88 2 75 LYS QG 2 77 ALA H 2.419 . 6.000 4.561 4.398 4.698 . 0 0 "[ . 1 . 2]" 1
89 1 72 VAL MG1 1 77 ALA MB 2.055 . 2.583 1.830 1.696 1.981 . 0 0 "[ . 1 . 2]" 1
90 1 92 LEU MD1 2 77 ALA MB 2.055 . 2.583 1.831 1.704 1.975 . 0 0 "[ . 1 . 2]" 1
91 1 36 GLY QA 1 38 LEU H 3.185 . 4.453 3.625 2.730 3.937 . 0 0 "[ . 1 . 2]" 1
92 2 36 GLY QA 2 38 LEU H 3.185 . 4.453 3.625 2.734 3.929 . 0 0 "[ . 1 . 2]" 1
93 1 38 LEU QB 1 39 LEU QD 1.955 . 6.000 2.149 1.923 2.421 . 0 0 "[ . 1 . 2]" 1
94 2 38 LEU QB 2 39 LEU QD 1.955 . 6.000 2.149 1.924 2.420 . 0 0 "[ . 1 . 2]" 1
95 1 60 LYS QE 1 63 LEU MD1 3.172 . 4.429 2.679 1.936 3.526 . 0 0 "[ . 1 . 2]" 1
96 1 85 LYS HE3 2 88 LEU MD2 3.172 . 4.429 2.680 1.940 3.523 . 0 0 "[ . 1 . 2]" 1
97 1 88 LEU MD1 2 85 LYS HE2 2.562 . 3.382 3.359 3.198 3.621 0.239 17 0 "[ . 1 . 2]" 1
98 1 85 LYS HE2 2 88 LEU MD1 2.562 . 3.382 3.357 3.202 3.615 0.233 17 0 "[ . 1 . 2]" 1
99 1 92 LEU QD 2 78 MET HB3 2.610 . 3.461 3.201 2.969 3.463 0.002 4 0 "[ . 1 . 2]" 1
100 1 78 MET HB3 2 92 LEU QD 2.610 . 3.461 3.200 2.959 3.457 . 0 0 "[ . 1 . 2]" 1
101 1 88 LEU QB 1 88 LEU QD 1.845 . 2.271 1.941 1.934 1.950 . 0 0 "[ . 1 . 2]" 1
102 2 88 LEU QB 2 88 LEU QD 1.845 . 2.271 1.941 1.933 1.950 . 0 0 "[ . 1 . 2]" 1
103 1 37 LEU QD 1 40 GLY H 3.134 . 4.362 3.730 3.575 3.845 . 0 0 "[ . 1 . 2]" 1
104 2 37 LEU QD 2 40 GLY H 3.134 . 4.362 3.731 3.577 3.847 . 0 0 "[ . 1 . 2]" 1
105 1 37 LEU HA 1 37 LEU HG 2.956 . 4.048 2.810 2.375 3.306 . 0 0 "[ . 1 . 2]" 1
106 2 37 LEU HA 2 37 LEU HG 2.956 . 4.048 2.809 2.374 3.305 . 0 0 "[ . 1 . 2]" 1
107 1 44 ILE MD 1 44 ILE HG12 2.175 . 2.767 1.990 1.961 2.007 . 0 0 "[ . 1 . 2]" 1
108 2 44 ILE MD 2 44 ILE HG12 2.175 . 2.767 1.990 1.962 2.006 . 0 0 "[ . 1 . 2]" 1
109 1 92 LEU QD 1 93 ARG QG 2.072 . 6.000 4.275 3.607 5.222 . 0 0 "[ . 1 . 2]" 1
110 2 92 LEU QD 2 93 ARG QG 2.072 . 6.000 4.276 3.608 5.225 . 0 0 "[ . 1 . 2]" 1
111 1 74 LYS HE2 1 75 LYS QB 3.336 . 4.727 3.735 3.497 3.868 . 0 0 "[ . 1 . 2]" 1
112 2 74 LYS HE2 2 75 LYS QB 3.336 . 4.727 3.735 3.497 3.869 . 0 0 "[ . 1 . 2]" 1
113 1 101 LYS QD 2 74 LYS HE2 2.264 . 6.000 5.596 4.447 6.753 0.753 10 2 "[ . + . - 2]" 1
114 1 74 LYS QE 2 101 LYS QD 2.264 . 6.000 5.598 4.466 6.753 0.753 10 2 "[ . + . - 2]" 1
115 1 44 ILE QG 1 46 MET QB 2.691 . 6.000 5.506 5.195 5.841 . 0 0 "[ . 1 . 2]" 1
116 2 44 ILE QG 2 46 MET QB 2.691 . 6.000 5.507 5.195 5.843 . 0 0 "[ . 1 . 2]" 1
117 1 43 PRO QG 1 45 ARG HA 2.697 . 6.000 5.007 4.216 5.945 . 0 0 "[ . 1 . 2]" 1
118 2 43 PRO QG 2 45 ARG HA 2.697 . 6.000 5.008 4.215 5.946 . 0 0 "[ . 1 . 2]" 1
119 1 74 LYS QD 2 101 LYS H 2.965 . 6.000 4.962 3.112 6.135 0.135 11 0 "[ . 1 . 2]" 1
120 1 101 LYS H 2 74 LYS QD 2.965 . 6.000 4.963 3.106 6.136 0.136 11 0 "[ . 1 . 2]" 1
121 1 74 LYS H 1 74 LYS HD2 2.984 . 4.097 3.174 1.873 4.035 . 0 0 "[ . 1 . 2]" 1
122 1 101 LYS H 2 74 LYS HD3 2.984 . 4.097 3.176 1.870 4.037 0.001 18 0 "[ . 1 . 2]" 1
123 1 43 PRO QB 1 46 MET QG 3.553 . 6.000 4.507 3.961 5.470 . 0 0 "[ . 1 . 2]" 1
124 2 43 PRO QB 2 46 MET QG 3.553 . 6.000 4.508 3.958 5.470 . 0 0 "[ . 1 . 2]" 1
125 1 80 ILE HA 1 80 ILE QG 3.069 . 4.246 2.420 2.359 2.447 . 0 0 "[ . 1 . 2]" 1
126 2 80 ILE HA 2 80 ILE QG 3.069 . 4.246 2.420 2.357 2.447 . 0 0 "[ . 1 . 2]" 1
127 1 44 ILE HA 1 44 ILE HB 3.119 . 4.335 2.360 2.065 2.462 . 0 0 "[ . 1 . 2]" 1
128 2 44 ILE HA 2 44 ILE HB 3.119 . 4.335 2.360 2.066 2.462 . 0 0 "[ . 1 . 2]" 1
129 1 44 ILE HA 1 44 ILE MG 2.545 . 3.355 2.039 1.885 2.172 . 0 0 "[ . 1 . 2]" 1
130 2 44 ILE HA 2 44 ILE MG 2.545 . 3.355 2.038 1.884 2.178 . 0 0 "[ . 1 . 2]" 1
131 1 100 GLU HA 1 101 LYS H 2.118 . 2.679 2.443 2.150 2.796 0.117 10 0 "[ . 1 . 2]" 1
132 2 100 GLU HA 2 101 LYS H 2.118 . 2.679 2.443 2.151 2.794 0.115 10 0 "[ . 1 . 2]" 1
133 1 43 PRO HA 1 45 ARG HA 2.533 . 6.000 5.433 5.074 5.779 . 0 0 "[ . 1 . 2]" 1
134 2 43 PRO HA 2 45 ARG HA 2.533 . 6.000 5.433 5.075 5.781 . 0 0 "[ . 1 . 2]" 1
135 1 96 ASN HA 1 96 ASN QB 2.226 . 2.846 2.389 2.330 2.478 . 0 0 "[ . 1 . 2]" 1
136 2 96 ASN HA 2 96 ASN QB 2.226 . 2.846 2.388 2.331 2.477 . 0 0 "[ . 1 . 2]" 1
137 1 45 ARG HA 1 45 ARG QB 1.811 . 2.221 2.072 1.934 2.146 . 0 0 "[ . 1 . 2]" 1
138 2 45 ARG HA 2 45 ARG QB 1.811 . 2.221 2.072 1.935 2.147 . 0 0 "[ . 1 . 2]" 1
139 1 45 ARG HA 1 48 LEU HG 2.185 . 6.000 3.976 3.518 4.253 . 0 0 "[ . 1 . 2]" 1
140 2 45 ARG HA 2 48 LEU HG 2.185 . 6.000 3.976 3.517 4.253 . 0 0 "[ . 1 . 2]" 1
141 1 98 ARG QB 1 98 ARG QD 2.253 . 2.888 2.004 1.845 2.453 . 0 0 "[ . 1 . 2]" 1
142 2 98 ARG QB 2 98 ARG QD 2.253 . 2.888 2.005 1.845 2.456 . 0 0 "[ . 1 . 2]" 1
143 1 48 LEU QD 1 72 VAL HB 2.918 . 3.982 3.187 2.725 3.362 . 0 0 "[ . 1 . 2]" 1
144 2 48 LEU QD 2 72 VAL HB 2.918 . 3.982 3.187 2.727 3.362 . 0 0 "[ . 1 . 2]" 1
145 1 46 MET HA 1 46 MET ME 2.637 . 3.507 2.660 1.964 3.219 . 0 0 "[ . 1 . 2]" 1
146 1 57 THR HA 2 46 MET ME 2.637 . 3.507 2.658 1.964 3.224 . 0 0 "[ . 1 . 2]" 1
147 1 88 LEU HB2 1 88 LEU QD 2.236 . 2.861 2.211 2.174 2.230 . 0 0 "[ . 1 . 2]" 1
148 1 81 ILE MG 2 88 LEU HB2 2.236 . 2.861 2.211 2.175 2.230 . 0 0 "[ . 1 . 2]" 1
149 1 49 ALA HA 1 52 ALA HA 3.029 . 6.000 5.441 5.275 5.659 . 0 0 "[ . 1 . 2]" 1
150 1 52 ALA HA 2 49 ALA HA 3.029 . 6.000 5.441 5.276 5.660 . 0 0 "[ . 1 . 2]" 1
151 1 49 ALA MB 1 52 ALA HA 3.035 . 6.000 5.304 4.973 5.549 . 0 0 "[ . 1 . 2]" 1
152 1 52 ALA HA 2 49 ALA MB 3.035 . 6.000 5.303 4.970 5.545 . 0 0 "[ . 1 . 2]" 1
153 1 49 ALA MB 1 50 ILE MG 2.750 . 3.695 3.540 2.874 3.751 0.056 15 0 "[ . 1 . 2]" 1
154 1 52 ALA MB 2 49 ALA MB 2.750 . 3.695 3.540 2.873 3.753 0.058 15 0 "[ . 1 . 2]" 1
155 1 50 ILE HA 1 51 LEU HB3 2.161 . 6.000 5.595 5.382 5.904 . 0 0 "[ . 1 . 2]" 1
156 1 74 LYS HD2 2 93 ARG HA 2.161 . 6.000 5.595 5.381 5.902 . 0 0 "[ . 1 . 2]" 1
157 1 51 LEU HA 1 51 LEU HG 2.598 . 3.442 2.639 2.345 2.786 . 0 0 "[ . 1 . 2]" 1
158 2 51 LEU HA 2 51 LEU HG 2.598 . 3.442 2.639 2.345 2.787 . 0 0 "[ . 1 . 2]" 1
159 1 51 LEU QB 1 51 LEU MD2 3.241 . 4.554 2.077 2.065 2.095 . 0 0 "[ . 1 . 2]" 1
160 2 51 LEU QB 2 51 LEU MD2 3.241 . 4.554 2.077 2.064 2.097 . 0 0 "[ . 1 . 2]" 1
161 1 51 LEU HB3 1 51 LEU MD1 2.388 . 3.101 2.534 2.147 3.018 . 0 0 "[ . 1 . 2]" 1
162 2 51 LEU HB3 2 51 LEU MD1 2.388 . 3.101 2.533 2.145 3.017 . 0 0 "[ . 1 . 2]" 1
163 1 49 ALA HA 1 52 ALA HA 2.586 . 6.000 5.070 4.884 5.321 . 0 0 "[ . 1 . 2]" 1
164 1 49 ALA HA 2 52 ALA HA 2.586 . 6.000 5.070 4.882 5.317 . 0 0 "[ . 1 . 2]" 1
165 1 51 LEU HB3 1 52 ALA MB 2.538 . 6.000 3.401 3.242 3.674 . 0 0 "[ . 1 . 2]" 1
166 2 51 LEU HB3 2 52 ALA MB 2.538 . 6.000 3.402 3.243 3.673 . 0 0 "[ . 1 . 2]" 1
167 1 93 ARG QB 1 96 ASN QB 2.872 . 6.000 3.713 3.447 4.209 . 0 0 "[ . 1 . 2]" 1
168 2 93 ARG QB 2 96 ASN QB 2.872 . 6.000 3.713 3.450 4.207 . 0 0 "[ . 1 . 2]" 1
169 1 45 ARG HA 1 45 ARG QG 3.485 . 5.003 2.229 2.122 2.865 . 0 0 "[ . 1 . 2]" 1
170 2 45 ARG HA 2 45 ARG QG 3.485 . 5.003 2.229 2.120 2.864 . 0 0 "[ . 1 . 2]" 1
171 1 76 GLU H 1 76 GLU QB 2.792 . 3.767 2.229 2.194 2.251 . 0 0 "[ . 1 . 2]" 1
172 2 76 GLU H 2 76 GLU QB 2.792 . 3.767 2.229 2.197 2.250 . 0 0 "[ . 1 . 2]" 1
173 1 55 ARG QD 1 60 LYS HA 2.711 . 6.000 4.007 3.272 4.604 . 0 0 "[ . 1 . 2]" 1
174 2 55 ARG QD 2 60 LYS HA 2.711 . 6.000 4.007 3.273 4.606 . 0 0 "[ . 1 . 2]" 1
175 1 74 LYS QE 2 100 GLU HA 3.106 . 6.000 5.404 3.404 6.454 0.454 10 0 "[ . 1 . 2]" 1
176 1 87 ASP HA 2 85 LYS HE3 3.106 . 6.000 5.405 3.421 6.446 0.446 10 0 "[ . 1 . 2]" 1
177 1 85 LYS HE3 2 86 LYS HA 3.390 . 4.827 3.860 3.662 4.106 . 0 0 "[ . 1 . 2]" 1
178 1 86 LYS HA 2 85 LYS HE3 3.390 . 4.827 3.859 3.659 4.093 . 0 0 "[ . 1 . 2]" 1
179 1 75 LYS HA 1 75 LYS HE2 3.010 . 4.143 4.007 3.815 4.391 0.248 19 0 "[ . 1 . 2]" 1
180 2 75 LYS HA 2 75 LYS HE2 3.010 . 4.143 4.007 3.818 4.394 0.251 19 0 "[ . 1 . 2]" 1
181 1 55 ARG QB 1 55 ARG QD 1.905 . 2.359 2.366 2.160 2.659 0.300 7 0 "[ . 1 . 2]" 1
182 2 55 ARG QB 2 55 ARG QD 1.905 . 2.359 2.366 2.159 2.659 0.300 7 0 "[ . 1 . 2]" 1
183 1 101 LYS QD 1 101 LYS QE 1.966 . 2.449 1.820 1.784 1.862 . 0 0 "[ . 1 . 2]" 1
184 2 101 LYS QD 2 101 LYS QE 1.966 . 2.449 1.820 1.782 1.863 . 0 0 "[ . 1 . 2]" 1
185 1 85 LYS HE3 1 88 LEU MD1 2.732 . 3.665 3.562 3.435 3.944 0.279 17 0 "[ . 1 . 2]" 1
186 1 88 LEU MD1 2 85 LYS HE3 2.732 . 3.665 3.564 3.445 3.944 0.279 17 0 "[ . 1 . 2]" 1
187 1 55 ARG QD 1 66 ILE HB 2.455 . 6.000 5.804 5.298 6.078 0.078 18 0 "[ . 1 . 2]" 1
188 1 46 MET ME 2 55 ARG QD 2.455 . 6.000 5.804 5.297 6.077 0.077 18 0 "[ . 1 . 2]" 1
189 1 74 LYS HD3 1 74 LYS QE 2.042 . 2.563 2.251 2.167 2.415 . 0 0 "[ . 1 . 2]" 1
190 2 74 LYS HD3 2 74 LYS QE 2.042 . 2.563 2.252 2.166 2.417 . 0 0 "[ . 1 . 2]" 1
191 1 57 THR HA 1 57 THR MG 2.323 . 2.997 2.001 1.979 2.020 . 0 0 "[ . 1 . 2]" 1
192 2 57 THR HA 2 57 THR MG 2.323 . 2.997 2.001 1.979 2.020 . 0 0 "[ . 1 . 2]" 1
193 1 74 LYS H 1 74 LYS QB 2.576 . 3.405 2.539 2.257 3.023 . 0 0 "[ . 1 . 2]" 1
194 2 74 LYS H 2 74 LYS QB 2.576 . 3.405 2.539 2.255 3.021 . 0 0 "[ . 1 . 2]" 1
195 1 54 LEU H 1 61 PRO HB3 2.637 . 6.000 4.318 4.013 4.650 . 0 0 "[ . 1 . 2]" 1
196 2 54 LEU H 2 61 PRO HB3 2.637 . 6.000 4.317 4.013 4.649 . 0 0 "[ . 1 . 2]" 1
197 1 61 PRO QB 1 61 PRO QD 3.116 . 4.330 2.558 1.962 2.743 . 0 0 "[ . 1 . 2]" 1
198 2 61 PRO QB 2 61 PRO QD 3.116 . 4.330 2.558 1.961 2.743 . 0 0 "[ . 1 . 2]" 1
199 1 59 ILE HA 1 61 PRO QB 2.645 . 6.000 5.788 5.342 6.145 0.145 20 0 "[ . 1 . 2]" 1
200 1 93 ARG HA 2 74 LYS QB 2.645 . 6.000 5.787 5.316 6.159 0.159 20 0 "[ . 1 . 2]" 1
201 1 63 LEU H 1 66 ILE HB 3.465 . 4.966 4.352 4.224 4.531 . 0 0 "[ . 1 . 2]" 1
202 2 63 LEU H 2 66 ILE HB 3.465 . 4.966 4.352 4.226 4.530 . 0 0 "[ . 1 . 2]" 1
203 1 66 ILE MD 1 66 ILE HG12 2.207 . 2.816 1.796 1.766 1.818 . 0 0 "[ . 1 . 2]" 1
204 2 66 ILE MD 2 66 ILE HG12 2.207 . 2.816 1.796 1.765 1.818 . 0 0 "[ . 1 . 2]" 1
205 1 63 LEU H 1 66 ILE MD 3.409 . 6.000 5.275 5.123 5.498 . 0 0 "[ . 1 . 2]" 1
206 2 63 LEU H 2 66 ILE MD 3.409 . 6.000 5.275 5.120 5.492 . 0 0 "[ . 1 . 2]" 1
207 1 66 ILE MD 1 69 TRP HH2 3.166 . 6.000 4.522 4.007 4.842 . 0 0 "[ . 1 . 2]" 1
208 2 66 ILE MD 2 69 TRP HH2 3.166 . 6.000 4.522 4.007 4.838 . 0 0 "[ . 1 . 2]" 1
209 1 61 PRO HB2 1 66 ILE QG 2.551 . 3.364 2.768 2.494 3.396 0.032 16 0 "[ . 1 . 2]" 1
210 2 61 PRO HB2 2 66 ILE QG 2.551 . 3.364 2.768 2.494 3.395 0.031 16 0 "[ . 1 . 2]" 1
211 1 64 GLY H 1 67 ASN HB2 3.677 . 5.367 4.733 4.330 4.994 . 0 0 "[ . 1 . 2]" 1
212 2 64 GLY H 2 67 ASN HB2 3.677 . 5.367 4.734 4.328 4.998 . 0 0 "[ . 1 . 2]" 1
213 1 51 LEU QD 1 69 TRP HA 3.527 . 5.082 4.206 4.052 4.349 . 0 0 "[ . 1 . 2]" 1
214 2 51 LEU QD 2 69 TRP HA 3.527 . 5.082 4.207 4.052 4.348 . 0 0 "[ . 1 . 2]" 1
215 1 51 LEU QD 1 72 VAL QG 2.682 . 6.000 4.592 4.323 5.031 . 0 0 "[ . 1 . 2]" 1
216 2 51 LEU QD 2 72 VAL QG 2.682 . 6.000 4.592 4.324 5.031 . 0 0 "[ . 1 . 2]" 1
217 1 44 ILE MD 1 72 VAL QG 2.280 . 2.930 2.088 1.859 2.418 . 0 0 "[ . 1 . 2]" 1
218 2 44 ILE MD 2 72 VAL QG 2.280 . 2.930 2.088 1.859 2.420 . 0 0 "[ . 1 . 2]" 1
219 1 55 ARG QB 1 55 ARG QD 2.456 . 3.210 2.546 2.275 2.881 . 0 0 "[ . 1 . 2]" 1
220 2 55 ARG QB 2 55 ARG QD 2.456 . 3.210 2.546 2.269 2.881 . 0 0 "[ . 1 . 2]" 1
221 1 75 LYS H 1 75 LYS HA 2.427 . 3.163 2.718 2.688 2.753 . 0 0 "[ . 1 . 2]" 1
222 2 75 LYS H 2 75 LYS HA 2.427 . 3.163 2.718 2.688 2.755 . 0 0 "[ . 1 . 2]" 1
223 1 69 TRP HD1 1 77 ALA MB 3.124 . 6.000 5.365 5.168 5.706 . 0 0 "[ . 1 . 2]" 1
224 1 97 ALA H 2 77 ALA MB 3.124 . 6.000 5.366 5.169 5.715 . 0 0 "[ . 1 . 2]" 1
225 1 75 LYS HA 1 78 MET HB2 2.885 . 3.926 2.679 2.491 2.835 . 0 0 "[ . 1 . 2]" 1
226 2 75 LYS HA 2 78 MET HB2 2.885 . 3.926 2.680 2.493 2.836 . 0 0 "[ . 1 . 2]" 1
227 1 76 GLU HA 1 79 GLU HB2 2.424 . 3.158 2.575 2.275 2.778 . 0 0 "[ . 1 . 2]" 1
228 2 76 GLU HA 2 79 GLU HB2 2.424 . 3.158 2.576 2.278 2.778 . 0 0 "[ . 1 . 2]" 1
229 1 94 ILE QG 1 97 ALA H 3.829 . 5.662 4.981 4.891 5.147 . 0 0 "[ . 1 . 2]" 1
230 2 94 ILE QG 2 97 ALA H 3.829 . 5.662 4.982 4.893 5.143 . 0 0 "[ . 1 . 2]" 1
231 1 75 LYS QB 1 79 GLU QG 2.979 . 6.000 4.351 3.984 4.528 . 0 0 "[ . 1 . 2]" 1
232 2 75 LYS QB 2 79 GLU QG 2.979 . 6.000 4.351 3.983 4.529 . 0 0 "[ . 1 . 2]" 1
233 1 85 LYS QD 1 88 LEU MD1 2.919 . 3.984 3.758 3.668 3.870 . 0 0 "[ . 1 . 2]" 1
234 1 88 LEU MD1 2 85 LYS QD 2.919 . 3.984 3.759 3.675 3.867 . 0 0 "[ . 1 . 2]" 1
235 1 80 ILE HB 1 81 ILE MD 2.771 . 3.731 3.053 2.991 3.160 . 0 0 "[ . 1 . 2]" 1
236 2 80 ILE HB 2 81 ILE MD 2.771 . 3.731 3.053 2.994 3.157 . 0 0 "[ . 1 . 2]" 1
237 1 44 ILE HA 1 80 ILE MD 2.626 . 6.000 4.079 3.953 4.336 . 0 0 "[ . 1 . 2]" 1
238 2 44 ILE HA 2 80 ILE MD 2.626 . 6.000 4.079 3.951 4.335 . 0 0 "[ . 1 . 2]" 1
239 1 77 ALA H 1 80 ILE MD 3.336 . 4.727 3.595 3.407 3.778 . 0 0 "[ . 1 . 2]" 1
240 2 77 ALA H 2 80 ILE MD 3.336 . 4.727 3.595 3.410 3.776 . 0 0 "[ . 1 . 2]" 1
241 1 72 VAL MG1 1 80 ILE MG 2.357 . 3.052 2.949 2.564 3.066 0.014 11 0 "[ . 1 . 2]" 1
242 2 72 VAL MG1 2 80 ILE MG 2.357 . 3.052 2.948 2.560 3.066 0.014 11 0 "[ . 1 . 2]" 1
243 1 81 ILE HA 1 81 ILE HG12 2.421 . 3.153 2.788 2.679 2.932 . 0 0 "[ . 1 . 2]" 1
244 1 88 LEU QD 2 81 ILE HA 2.421 . 3.153 2.788 2.679 2.933 . 0 0 "[ . 1 . 2]" 1
245 1 51 LEU QD 1 81 ILE MD 3.196 . 6.000 4.318 3.732 5.028 . 0 0 "[ . 1 . 2]" 1
246 2 51 LEU QD 2 81 ILE MD 3.196 . 6.000 4.318 3.732 5.027 . 0 0 "[ . 1 . 2]" 1
247 1 81 ILE MG 2 88 LEU HG 2.379 . 6.000 3.319 1.849 3.959 . 0 0 "[ . 1 . 2]" 1
248 1 74 LYS QG 2 95 ILE MG 2.379 . 6.000 3.318 1.852 3.958 . 0 0 "[ . 1 . 2]" 1
249 1 42 GLY QA 1 46 MET QB 2.502 . 3.284 2.501 2.076 3.447 0.163 11 0 "[ . 1 . 2]" 1
250 2 42 GLY QA 2 46 MET QB 2.502 . 3.284 2.501 2.073 3.445 0.161 11 0 "[ . 1 . 2]" 1
251 1 81 ILE MG 1 85 LYS HE3 3.016 . 4.153 1.961 1.864 2.101 0.015 6 0 "[ . 1 . 2]" 1
252 1 88 LEU MD1 2 85 LYS HE3 3.016 . 4.153 1.960 1.863 2.103 0.016 4 0 "[ . 1 . 2]" 1
253 1 90 ALA H 1 90 ALA HA 2.451 . 3.202 2.709 2.692 2.720 . 0 0 "[ . 1 . 2]" 1
254 2 90 ALA H 2 90 ALA HA 2.451 . 3.202 2.708 2.691 2.721 . 0 0 "[ . 1 . 2]" 1
255 1 89 ALA MB 1 92 LEU HA 2.986 . 6.000 5.254 4.882 5.834 . 0 0 "[ . 1 . 2]" 1
256 2 89 ALA MB 2 92 LEU HA 2.986 . 6.000 5.254 4.879 5.837 . 0 0 "[ . 1 . 2]" 1
257 1 92 LEU QD 1 93 ARG QD 3.308 . 6.000 5.340 4.944 5.721 . 0 0 "[ . 1 . 2]" 1
258 2 92 LEU QD 2 93 ARG QD 3.308 . 6.000 5.339 4.937 5.722 . 0 0 "[ . 1 . 2]" 1
259 1 94 ILE H 1 94 ILE HB 2.850 . 3.865 2.424 2.275 2.521 . 0 0 "[ . 1 . 2]" 1
260 2 94 ILE H 2 94 ILE HB 2.850 . 3.865 2.423 2.273 2.521 . 0 0 "[ . 1 . 2]" 1
261 1 91 MET H 1 94 ILE MD 2.757 . 3.707 3.350 3.324 3.405 . 0 0 "[ . 1 . 2]" 1
262 2 91 MET H 2 94 ILE MD 2.757 . 3.707 3.351 3.323 3.405 . 0 0 "[ . 1 . 2]" 1
263 1 94 ILE H 1 94 ILE QG 2.961 . 4.057 1.998 1.872 2.180 . 0 0 "[ . 1 . 2]" 1
264 2 94 ILE H 2 94 ILE QG 2.961 . 4.057 1.998 1.878 2.176 . 0 0 "[ . 1 . 2]" 1
265 1 94 ILE MG 2 51 LEU QD 3.376 . 6.000 5.155 4.783 5.442 . 0 0 "[ . 1 . 2]" 1
266 1 51 LEU QD 2 94 ILE MG 3.376 . 6.000 5.156 4.782 5.432 . 0 0 "[ . 1 . 2]" 1
267 1 94 ILE H 1 94 ILE MG 2.751 . 3.697 3.344 3.166 3.434 . 0 0 "[ . 1 . 2]" 1
268 2 94 ILE H 2 94 ILE MG 2.751 . 3.697 3.345 3.166 3.434 . 0 0 "[ . 1 . 2]" 1
269 1 94 ILE MG 1 97 ALA H 2.622 . 3.481 3.418 2.649 3.594 0.113 19 0 "[ . 1 . 2]" 1
270 1 69 TRP HZ2 2 94 ILE MG 2.622 . 3.481 3.419 2.650 3.593 0.112 19 0 "[ . 1 . 2]" 1
271 1 88 LEU QB 1 95 ILE MD 2.732 . 6.000 4.491 4.141 4.873 . 0 0 "[ . 1 . 2]" 1
272 1 48 LEU QB 2 95 ILE MD 2.732 . 6.000 4.492 4.143 4.879 . 0 0 "[ . 1 . 2]" 1
273 1 95 ILE MD 2 51 LEU QD 2.969 . 4.071 3.509 3.361 3.686 . 0 0 "[ . 1 . 2]" 1
274 1 51 LEU QD 2 95 ILE MD 2.969 . 4.071 3.509 3.374 3.679 . 0 0 "[ . 1 . 2]" 1
275 1 88 LEU QB 1 95 ILE HG12 2.485 . 6.000 5.532 5.092 6.028 0.028 20 0 "[ . 1 . 2]" 1
276 1 48 LEU HB3 2 95 ILE HG12 2.485 . 6.000 5.532 5.094 6.021 0.021 20 0 "[ . 1 . 2]" 1
277 1 94 ILE H 1 97 ALA MB 3.367 . 4.784 4.011 3.791 4.210 . 0 0 "[ . 1 . 2]" 1
278 2 94 ILE H 2 97 ALA MB 3.367 . 4.784 4.010 3.787 4.212 . 0 0 "[ . 1 . 2]" 1
279 1 47 VAL QG 1 72 VAL HB 2.749 . 6.000 4.856 4.568 5.230 . 0 0 "[ . 1 . 2]" 1
280 2 47 VAL QG 2 72 VAL HB 2.749 . 6.000 4.856 4.568 5.231 . 0 0 "[ . 1 . 2]" 1
281 1 47 VAL MG1 1 48 LEU HA 3.071 . 4.250 3.297 3.229 3.410 . 0 0 "[ . 1 . 2]" 1
282 2 47 VAL MG1 2 48 LEU HA 3.071 . 4.250 3.297 3.226 3.411 . 0 0 "[ . 1 . 2]" 1
283 1 50 ILE MG 1 53 PHE H 3.508 . 5.046 4.599 4.390 4.946 . 0 0 "[ . 1 . 2]" 1
284 2 50 ILE MG 2 53 PHE H 3.508 . 5.046 4.599 4.391 4.945 . 0 0 "[ . 1 . 2]" 1
285 1 92 LEU HA 1 95 ILE QG 2.392 . 3.107 2.404 2.152 2.799 . 0 0 "[ . 1 . 2]" 1
286 2 92 LEU HA 2 95 ILE QG 2.392 . 3.107 2.403 2.150 2.801 . 0 0 "[ . 1 . 2]" 1
287 1 48 LEU QB 1 80 ILE MD 2.627 . 3.490 3.170 2.328 3.551 0.061 10 0 "[ . 1 . 2]" 1
288 2 48 LEU QB 2 80 ILE MD 2.627 . 3.490 3.170 2.328 3.550 0.060 10 0 "[ . 1 . 2]" 1
289 1 47 VAL QG 1 80 ILE MG 3.464 . 6.000 5.673 5.272 6.031 0.031 2 0 "[ . 1 . 2]" 1
290 2 47 VAL QG 2 80 ILE MG 3.464 . 6.000 5.672 5.272 6.030 0.030 2 0 "[ . 1 . 2]" 1
291 1 50 ILE HA 1 53 PHE QB 2.712 . 3.632 2.157 1.974 2.273 . 0 0 "[ . 1 . 2]" 1
292 2 50 ILE HA 2 53 PHE QB 2.712 . 3.632 2.156 1.972 2.274 . 0 0 "[ . 1 . 2]" 1
293 1 54 LEU QD 1 62 SER HA 2.826 . 6.000 4.387 3.759 5.507 . 0 0 "[ . 1 . 2]" 1
294 2 54 LEU QD 2 62 SER HA 2.826 . 6.000 4.388 3.760 5.498 . 0 0 "[ . 1 . 2]" 1
295 1 54 LEU MD2 1 58 ALA HA 2.791 . 6.000 4.840 4.579 5.606 . 0 0 "[ . 1 . 2]" 1
296 2 54 LEU MD2 2 58 ALA HA 2.791 . 6.000 4.842 4.580 5.605 . 0 0 "[ . 1 . 2]" 1
297 1 75 LYS HE3 1 75 LYS QG 2.700 . 3.611 2.237 2.094 2.387 . 0 0 "[ . 1 . 2]" 1
298 2 75 LYS HE3 2 75 LYS QG 2.700 . 3.611 2.237 2.091 2.389 . 0 0 "[ . 1 . 2]" 1
299 1 76 GLU HA 1 76 GLU QB 2.187 . 2.785 2.385 2.338 2.429 . 0 0 "[ . 1 . 2]" 1
300 2 76 GLU HA 2 76 GLU QB 2.187 . 2.785 2.385 2.339 2.431 . 0 0 "[ . 1 . 2]" 1
301 1 39 LEU H 1 40 GLY H 3.061 . 4.232 2.343 2.083 2.470 . 0 0 "[ . 1 . 2]" 1
302 2 39 LEU H 2 40 GLY H 3.061 . 4.232 2.347 2.085 2.479 . 0 0 "[ . 1 . 2]" 1
303 1 36 GLY HA2 1 40 GLY H 2.900 . 3.951 3.723 2.253 4.725 0.774 7 1 "[ . + 1 . 2]" 1
304 2 36 GLY HA2 2 40 GLY H 2.900 . 3.951 3.720 2.248 4.719 0.768 7 1 "[ . + 1 . 2]" 1
305 1 102 LYS HA 1 103 ARG H 2.451 . 3.202 2.528 2.104 3.253 0.051 5 0 "[ . 1 . 2]" 1
306 2 102 LYS HA 2 103 ARG H 2.451 . 3.202 2.530 2.109 3.251 0.049 5 0 "[ . 1 . 2]" 1
307 1 99 LYS QB 1 102 LYS H 2.669 . 6.000 4.919 2.528 5.912 . 0 0 "[ . 1 . 2]" 1
308 2 99 LYS QB 2 102 LYS H 2.669 . 6.000 4.919 2.529 5.915 . 0 0 "[ . 1 . 2]" 1
309 1 101 LYS H 1 101 LYS QG 3.127 . 4.350 3.086 1.882 4.422 0.072 8 0 "[ . 1 . 2]" 1
310 2 101 LYS H 2 101 LYS QG 3.127 . 4.350 3.087 1.882 4.422 0.072 8 0 "[ . 1 . 2]" 1
311 1 96 ASN HA 1 100 GLU H 2.358 . 6.000 5.090 3.450 6.105 0.105 19 0 "[ . 1 . 2]" 1
312 2 96 ASN HA 2 100 GLU H 2.358 . 6.000 5.092 3.450 6.109 0.109 19 0 "[ . 1 . 2]" 1
313 1 97 ALA MB 1 100 GLU H 3.345 . 6.000 5.165 4.013 6.217 0.217 19 0 "[ . 1 . 2]" 1
314 2 97 ALA MB 2 100 GLU H 3.345 . 6.000 5.165 4.015 6.224 0.224 19 0 "[ . 1 . 2]" 1
315 1 98 ARG H 1 99 LYS H 3.143 . 4.378 2.643 2.218 3.568 . 0 0 "[ . 1 . 2]" 1
316 2 98 ARG H 2 99 LYS H 3.143 . 4.378 2.645 2.225 3.565 . 0 0 "[ . 1 . 2]" 1
317 1 98 ARG H 1 98 ARG QB 2.465 . 3.225 2.508 2.323 2.888 . 0 0 "[ . 1 . 2]" 1
318 2 98 ARG H 2 98 ARG QB 2.465 . 3.225 2.508 2.324 2.892 . 0 0 "[ . 1 . 2]" 1
319 1 94 ILE HA 1 97 ALA H 3.245 . 4.433 2.908 2.709 3.124 . 0 0 "[ . 1 . 2]" 1
320 2 94 ILE HA 2 97 ALA H 3.245 . 4.433 2.909 2.713 3.123 . 0 0 "[ . 1 . 2]" 1
321 1 93 ARG HA 1 97 ALA H 3.204 . 4.487 4.342 4.087 4.536 0.049 18 0 "[ . 1 . 2]" 1
322 2 93 ARG HA 2 97 ALA H 3.204 . 4.487 4.342 4.088 4.535 0.048 18 0 "[ . 1 . 2]" 1
323 1 96 ASN QB 1 97 ALA H 2.713 . 3.633 2.694 2.460 3.114 . 0 0 "[ . 1 . 2]" 1
324 2 96 ASN QB 2 97 ALA H 2.713 . 3.633 2.694 2.458 3.111 . 0 0 "[ . 1 . 2]" 1
325 1 97 ALA H 1 97 ALA MB 2.267 . 2.788 2.244 2.221 2.279 . 0 0 "[ . 1 . 2]" 1
326 2 97 ALA H 2 97 ALA MB 2.267 . 2.788 2.243 2.224 2.280 . 0 0 "[ . 1 . 2]" 1
327 1 95 ILE H 1 96 ASN H 2.898 . 3.948 2.740 2.649 2.886 . 0 0 "[ . 1 . 2]" 1
328 2 95 ILE H 2 96 ASN H 2.898 . 3.948 2.740 2.650 2.887 . 0 0 "[ . 1 . 2]" 1
329 1 96 ASN H 1 97 ALA H 2.849 . 3.748 2.601 2.407 2.709 . 0 0 "[ . 1 . 2]" 1
330 2 96 ASN H 2 97 ALA H 2.849 . 3.748 2.601 2.404 2.711 . 0 0 "[ . 1 . 2]" 1
331 1 96 ASN H 1 96 ASN HA 2.769 . 3.727 2.827 2.792 2.895 . 0 0 "[ . 1 . 2]" 1
332 2 96 ASN H 2 96 ASN HA 2.769 . 3.727 2.827 2.789 2.895 . 0 0 "[ . 1 . 2]" 1
333 1 93 ARG HA 1 96 ASN H 3.008 . 4.139 3.464 3.013 3.704 . 0 0 "[ . 1 . 2]" 1
334 2 93 ARG HA 2 96 ASN H 3.008 . 4.139 3.464 3.015 3.705 . 0 0 "[ . 1 . 2]" 1
335 1 95 ILE HA 1 96 ASN H 3.393 . 4.832 3.537 3.510 3.568 . 0 0 "[ . 1 . 2]" 1
336 2 95 ILE HA 2 96 ASN H 3.393 . 4.832 3.537 3.509 3.569 . 0 0 "[ . 1 . 2]" 1
337 1 96 ASN H 1 96 ASN QB 2.366 . 3.066 2.329 2.228 2.498 . 0 0 "[ . 1 . 2]" 1
338 2 96 ASN H 2 96 ASN QB 2.366 . 3.066 2.329 2.229 2.494 . 0 0 "[ . 1 . 2]" 1
339 1 95 ILE HB 1 96 ASN H 2.773 . 3.734 2.432 2.322 2.683 . 0 0 "[ . 1 . 2]" 1
340 2 95 ILE HB 2 96 ASN H 2.773 . 3.734 2.433 2.327 2.692 . 0 0 "[ . 1 . 2]" 1
341 1 95 ILE MG 1 96 ASN H 2.966 . 3.653 3.384 3.160 3.615 . 0 0 "[ . 1 . 2]" 1
342 2 95 ILE MG 2 96 ASN H 2.966 . 3.653 3.384 3.159 3.623 . 0 0 "[ . 1 . 2]" 1
343 1 95 ILE HG12 1 96 ASN H 3.326 . 4.709 4.080 3.928 4.224 . 0 0 "[ . 1 . 2]" 1
344 2 95 ILE HG12 2 96 ASN H 3.326 . 4.709 4.080 3.929 4.223 . 0 0 "[ . 1 . 2]" 1
345 1 92 LEU HG 1 96 ASN H 3.340 . 4.735 4.680 4.557 4.773 0.038 16 0 "[ . 1 . 2]" 1
346 2 92 LEU HG 2 96 ASN H 3.340 . 4.735 4.680 4.551 4.772 0.037 16 0 "[ . 1 . 2]" 1
347 1 93 ARG HA 1 95 ILE H 3.069 . 6.000 4.341 4.101 4.573 . 0 0 "[ . 1 . 2]" 1
348 2 93 ARG HA 2 95 ILE H 3.069 . 6.000 4.341 4.104 4.571 . 0 0 "[ . 1 . 2]" 1
349 1 94 ILE HB 1 95 ILE H 2.958 . 4.051 2.804 2.578 2.959 . 0 0 "[ . 1 . 2]" 1
350 2 94 ILE HB 2 95 ILE H 2.958 . 4.051 2.804 2.579 2.959 . 0 0 "[ . 1 . 2]" 1
351 1 95 ILE H 1 95 ILE HB 2.607 . 3.457 2.666 2.573 2.749 . 0 0 "[ . 1 . 2]" 1
352 2 95 ILE H 2 95 ILE HB 2.607 . 3.457 2.666 2.566 2.749 . 0 0 "[ . 1 . 2]" 1
353 1 95 ILE H 1 95 ILE HG12 2.657 . 3.539 2.027 1.896 2.149 . 0 0 "[ . 1 . 2]" 1
354 2 95 ILE H 2 95 ILE HG12 2.657 . 3.539 2.028 1.901 2.154 . 0 0 "[ . 1 . 2]" 1
355 1 95 ILE H 1 95 ILE MG 2.872 . 3.765 3.785 3.773 3.794 0.029 4 0 "[ . 1 . 2]" 1
356 2 95 ILE H 2 95 ILE MG 2.872 . 3.765 3.785 3.774 3.793 0.028 9 0 "[ . 1 . 2]" 1
357 1 95 ILE H 1 95 ILE MD 3.279 . 4.225 3.291 2.975 3.452 . 0 0 "[ . 1 . 2]" 1
358 2 95 ILE H 2 95 ILE MD 3.279 . 4.225 3.291 2.979 3.456 . 0 0 "[ . 1 . 2]" 1
359 1 93 ARG H 1 94 ILE H 2.828 . 3.822 2.657 2.555 2.783 . 0 0 "[ . 1 . 2]" 1
360 2 93 ARG H 2 94 ILE H 2.828 . 3.822 2.657 2.551 2.773 . 0 0 "[ . 1 . 2]" 1
361 1 94 ILE H 1 97 ALA H 3.470 . 4.976 4.498 4.375 4.673 . 0 0 "[ . 1 . 2]" 1
362 2 94 ILE H 2 97 ALA H 3.470 . 4.976 4.498 4.378 4.671 . 0 0 "[ . 1 . 2]" 1
363 1 94 ILE H 1 94 ILE HA 2.848 . 3.619 2.853 2.837 2.878 . 0 0 "[ . 1 . 2]" 1
364 2 94 ILE H 2 94 ILE HA 2.848 . 3.619 2.853 2.836 2.880 . 0 0 "[ . 1 . 2]" 1
365 1 94 ILE H 1 94 ILE HG12 2.572 . 3.399 3.295 3.136 3.525 0.126 19 0 "[ . 1 . 2]" 1
366 2 94 ILE H 2 94 ILE HG12 2.572 . 3.399 3.295 3.143 3.518 0.119 19 0 "[ . 1 . 2]" 1
367 1 94 ILE H 1 94 ILE HB 2.744 . 3.685 2.655 2.527 2.763 . 0 0 "[ . 1 . 2]" 1
368 2 94 ILE H 2 94 ILE HB 2.744 . 3.685 2.655 2.526 2.764 . 0 0 "[ . 1 . 2]" 1
369 1 94 ILE H 1 95 ILE HG13 2.898 . 6.000 5.574 5.439 5.695 . 0 0 "[ . 1 . 2]" 1
370 2 94 ILE H 2 95 ILE HG13 2.898 . 6.000 5.574 5.440 5.693 . 0 0 "[ . 1 . 2]" 1
371 1 94 ILE H 1 94 ILE MD 2.631 . 3.496 3.532 3.504 3.552 0.056 13 0 "[ . 1 . 2]" 1
372 2 94 ILE H 2 94 ILE MD 2.631 . 3.496 3.532 3.508 3.550 0.054 13 0 "[ . 1 . 2]" 1
373 1 93 ARG H 1 93 ARG HA 2.558 . 3.376 2.803 2.762 2.846 . 0 0 "[ . 1 . 2]" 1
374 2 93 ARG H 2 93 ARG HA 2.558 . 3.376 2.803 2.765 2.847 . 0 0 "[ . 1 . 2]" 1
375 1 93 ARG H 1 93 ARG QB 2.396 . 6.000 2.342 2.074 2.540 . 0 0 "[ . 1 . 2]" 1
376 2 93 ARG H 2 93 ARG QB 2.396 . 6.000 2.342 2.072 2.539 . 0 0 "[ . 1 . 2]" 1
377 1 93 ARG H 1 93 ARG QG 2.762 . 3.715 2.861 2.035 3.921 0.206 11 0 "[ . 1 . 2]" 1
378 2 93 ARG H 2 93 ARG QG 2.762 . 3.715 2.861 2.029 3.923 0.208 11 0 "[ . 1 . 2]" 1
379 1 92 LEU QD 1 93 ARG H 3.058 . 4.227 3.719 2.842 3.866 . 0 0 "[ . 1 . 2]" 1
380 2 92 LEU QD 2 93 ARG H 3.058 . 4.227 3.720 2.839 3.865 . 0 0 "[ . 1 . 2]" 1
381 1 91 MET H 1 92 LEU H 2.837 . 3.843 2.718 2.586 2.893 . 0 0 "[ . 1 . 2]" 1
382 2 91 MET H 2 92 LEU H 2.837 . 3.843 2.717 2.591 2.898 . 0 0 "[ . 1 . 2]" 1
383 1 80 ILE H 1 81 ILE H 3.164 . 4.415 2.758 2.694 2.836 . 0 0 "[ . 1 . 2]" 1
384 2 80 ILE H 2 81 ILE H 3.164 . 4.415 2.758 2.684 2.847 . 0 0 "[ . 1 . 2]" 1
385 1 80 ILE MG 1 81 ILE H 3.259 . 4.305 3.233 2.947 3.380 . 0 0 "[ . 1 . 2]" 1
386 2 80 ILE MG 2 81 ILE H 3.259 . 4.305 3.232 2.945 3.380 . 0 0 "[ . 1 . 2]" 1
387 1 90 ALA H 1 91 MET H 2.912 . 3.972 2.686 2.584 2.780 . 0 0 "[ . 1 . 2]" 1
388 2 90 ALA H 2 91 MET H 2.912 . 3.972 2.687 2.574 2.783 . 0 0 "[ . 1 . 2]" 1
389 1 89 ALA HA 1 91 MET H 2.991 . 6.000 4.593 4.433 4.770 . 0 0 "[ . 1 . 2]" 1
390 2 89 ALA HA 2 91 MET H 2.991 . 6.000 4.593 4.437 4.749 . 0 0 "[ . 1 . 2]" 1
391 1 90 ALA MB 1 91 MET H 2.645 . 3.520 2.407 2.337 2.536 . 0 0 "[ . 1 . 2]" 1
392 2 90 ALA MB 2 91 MET H 2.645 . 3.520 2.408 2.345 2.525 . 0 0 "[ . 1 . 2]" 1
393 1 88 LEU HA 1 90 ALA H 2.511 . 6.000 4.440 4.264 4.616 . 0 0 "[ . 1 . 2]" 1
394 2 88 LEU HA 2 90 ALA H 2.511 . 6.000 4.440 4.256 4.609 . 0 0 "[ . 1 . 2]" 1
395 1 88 LEU H 1 89 ALA H 2.858 . 3.879 2.690 2.618 2.730 . 0 0 "[ . 1 . 2]" 1
396 2 88 LEU H 2 89 ALA H 2.858 . 3.879 2.689 2.620 2.732 . 0 0 "[ . 1 . 2]" 1
397 1 89 ALA H 1 89 ALA MB 2.265 . 2.845 2.228 2.218 2.243 . 0 0 "[ . 1 . 2]" 1
398 2 89 ALA H 2 89 ALA MB 2.265 . 2.845 2.229 2.217 2.240 . 0 0 "[ . 1 . 2]" 1
399 1 87 ASP HA 1 88 LEU H 3.109 . 4.317 3.517 3.505 3.534 . 0 0 "[ . 1 . 2]" 1
400 2 87 ASP HA 2 88 LEU H 3.109 . 4.317 3.517 3.503 3.533 . 0 0 "[ . 1 . 2]" 1
401 1 88 LEU H 1 89 ALA MB 3.109 . 4.317 4.340 4.295 4.371 0.054 3 0 "[ . 1 . 2]" 1
402 2 88 LEU H 2 89 ALA MB 3.109 . 4.317 4.339 4.295 4.371 0.054 3 0 "[ . 1 . 2]" 1
403 1 88 LEU H 1 88 LEU HG 3.049 . 4.211 2.330 2.232 2.474 . 0 0 "[ . 1 . 2]" 1
404 2 88 LEU H 2 88 LEU HG 3.049 . 4.211 2.330 2.234 2.474 . 0 0 "[ . 1 . 2]" 1
405 1 45 ARG H 1 80 ILE MD 2.712 . 3.632 3.557 3.400 3.685 0.053 18 0 "[ . 1 . 2]" 1
406 2 45 ARG H 2 80 ILE MD 2.712 . 3.632 3.557 3.399 3.687 0.055 18 0 "[ . 1 . 2]" 1
407 1 85 LYS H 1 86 LYS H 2.959 . 4.054 2.662 2.610 2.746 . 0 0 "[ . 1 . 2]" 1
408 2 85 LYS H 2 86 LYS H 2.959 . 4.054 2.662 2.612 2.739 . 0 0 "[ . 1 . 2]" 1
409 1 86 LYS H 1 87 ASP H 2.860 . 3.882 2.697 2.628 2.874 . 0 0 "[ . 1 . 2]" 1
410 2 86 LYS H 2 87 ASP H 2.860 . 3.882 2.698 2.624 2.877 . 0 0 "[ . 1 . 2]" 1
411 1 86 LYS H 1 86 LYS HA 2.931 . 3.910 2.818 2.784 2.843 . 0 0 "[ . 1 . 2]" 1
412 2 86 LYS H 2 86 LYS HA 2.931 . 3.910 2.817 2.785 2.839 . 0 0 "[ . 1 . 2]" 1
413 1 85 LYS H 1 85 LYS HA 2.810 . 3.797 2.808 2.793 2.818 . 0 0 "[ . 1 . 2]" 1
414 2 85 LYS H 2 85 LYS HA 2.810 . 3.797 2.808 2.792 2.819 . 0 0 "[ . 1 . 2]" 1
415 1 85 LYS H 1 85 LYS HD2 3.252 . 4.574 4.083 3.929 4.194 . 0 0 "[ . 1 . 2]" 1
416 2 85 LYS H 2 85 LYS HD2 3.252 . 4.574 4.083 3.932 4.192 . 0 0 "[ . 1 . 2]" 1
417 1 84 PHE H 1 85 LYS HB3 2.744 . 6.000 6.255 6.133 6.382 0.382 13 0 "[ . 1 . 2]" 1
418 2 84 PHE H 2 85 LYS HB3 2.744 . 6.000 6.253 6.130 6.381 0.381 13 0 "[ . 1 . 2]" 1
419 1 79 GLU H 1 80 ILE H 3.109 . 4.059 2.612 2.525 2.736 . 0 0 "[ . 1 . 2]" 1
420 2 79 GLU H 2 80 ILE H 3.109 . 4.059 2.613 2.521 2.737 . 0 0 "[ . 1 . 2]" 1
421 1 77 ALA HA 1 80 ILE H 3.159 . 4.406 3.328 3.151 3.474 . 0 0 "[ . 1 . 2]" 1
422 2 77 ALA HA 2 80 ILE H 3.159 . 4.406 3.329 3.152 3.471 . 0 0 "[ . 1 . 2]" 1
423 1 80 ILE H 1 80 ILE HA 2.919 . 3.984 2.811 2.792 2.828 . 0 0 "[ . 1 . 2]" 1
424 2 80 ILE H 2 80 ILE HA 2.919 . 3.984 2.811 2.792 2.827 . 0 0 "[ . 1 . 2]" 1
425 1 79 GLU HB2 1 80 ILE H 2.834 . 3.838 2.578 2.345 2.684 . 0 0 "[ . 1 . 2]" 1
426 2 79 GLU HB2 2 80 ILE H 2.834 . 3.838 2.577 2.351 2.686 . 0 0 "[ . 1 . 2]" 1
427 1 80 ILE H 1 80 ILE HG13 2.783 . 3.751 2.112 2.020 2.243 . 0 0 "[ . 1 . 2]" 1
428 2 80 ILE H 2 80 ILE HG13 2.783 . 3.751 2.112 2.018 2.246 . 0 0 "[ . 1 . 2]" 1
429 1 80 ILE H 1 80 ILE HB 2.750 . 3.695 2.533 2.416 2.582 . 0 0 "[ . 1 . 2]" 1
430 2 80 ILE H 2 80 ILE HB 2.750 . 3.695 2.534 2.414 2.582 . 0 0 "[ . 1 . 2]" 1
431 1 80 ILE H 1 80 ILE MD 2.923 . 3.991 3.486 3.433 3.550 . 0 0 "[ . 1 . 2]" 1
432 2 80 ILE H 2 80 ILE MD 2.923 . 3.991 3.486 3.432 3.548 . 0 0 "[ . 1 . 2]" 1
433 1 80 ILE H 1 80 ILE MG 3.061 . 4.232 3.771 3.738 3.782 . 0 0 "[ . 1 . 2]" 1
434 2 80 ILE H 2 80 ILE MG 3.061 . 4.232 3.771 3.739 3.781 . 0 0 "[ . 1 . 2]" 1
435 1 78 MET HB3 1 79 GLU H 2.535 . 5.400 3.542 3.376 3.660 . 0 0 "[ . 1 . 2]" 1
436 2 78 MET HB3 2 79 GLU H 2.535 . 5.400 3.541 3.376 3.661 . 0 0 "[ . 1 . 2]" 1
437 1 79 GLU H 1 79 GLU HB2 2.345 . 3.032 2.477 2.352 2.617 . 0 0 "[ . 1 . 2]" 1
438 2 79 GLU H 2 79 GLU HB2 2.345 . 3.032 2.478 2.349 2.621 . 0 0 "[ . 1 . 2]" 1
439 1 79 GLU H 1 80 ILE HG13 3.026 . 6.000 4.245 4.105 4.553 . 0 0 "[ . 1 . 2]" 1
440 2 79 GLU H 2 80 ILE HG13 3.026 . 6.000 4.247 4.104 4.566 . 0 0 "[ . 1 . 2]" 1
441 1 75 LYS QG 1 79 GLU H 3.213 . 6.000 4.715 4.505 5.242 . 0 0 "[ . 1 . 2]" 1
442 2 75 LYS QG 2 79 GLU H 3.213 . 6.000 4.715 4.503 5.241 . 0 0 "[ . 1 . 2]" 1
443 1 79 GLU H 1 80 ILE MD 3.584 . 5.190 5.084 4.938 5.205 0.015 19 0 "[ . 1 . 2]" 1
444 2 79 GLU H 2 80 ILE MD 3.584 . 5.190 5.086 4.949 5.207 0.017 19 0 "[ . 1 . 2]" 1
445 1 77 ALA H 1 78 MET H 2.882 . 3.920 2.757 2.635 2.858 . 0 0 "[ . 1 . 2]" 1
446 2 77 ALA H 2 78 MET H 2.882 . 3.920 2.756 2.636 2.858 . 0 0 "[ . 1 . 2]" 1
447 1 78 MET H 1 79 GLU H 2.837 . 3.843 2.708 2.619 2.834 . 0 0 "[ . 1 . 2]" 1
448 2 78 MET H 2 79 GLU H 2.837 . 3.843 2.708 2.617 2.828 . 0 0 "[ . 1 . 2]" 1
449 1 78 MET H 1 78 MET HA 2.750 . 3.589 2.800 2.776 2.821 . 0 0 "[ . 1 . 2]" 1
450 2 78 MET H 2 78 MET HA 2.750 . 3.589 2.799 2.776 2.820 . 0 0 "[ . 1 . 2]" 1
451 1 78 MET H 1 78 MET HG3 2.902 . 3.955 2.449 2.129 3.482 . 0 0 "[ . 1 . 2]" 1
452 2 78 MET H 2 78 MET HG3 2.902 . 3.955 2.450 2.130 3.480 . 0 0 "[ . 1 . 2]" 1
453 1 78 MET H 1 78 MET HB2 2.694 . 3.601 2.480 2.415 2.559 . 0 0 "[ . 1 . 2]" 1
454 2 78 MET H 2 78 MET HB2 2.694 . 3.601 2.480 2.413 2.557 . 0 0 "[ . 1 . 2]" 1
455 1 78 MET H 1 79 GLU QB 2.681 . 6.000 4.719 4.552 4.867 . 0 0 "[ . 1 . 2]" 1
456 2 78 MET H 2 79 GLU QB 2.681 . 6.000 4.719 4.544 4.863 . 0 0 "[ . 1 . 2]" 1
457 1 77 ALA MB 1 78 MET H 2.748 . 3.613 2.515 2.428 2.643 . 0 0 "[ . 1 . 2]" 1
458 2 77 ALA MB 2 78 MET H 2.748 . 3.613 2.515 2.430 2.644 . 0 0 "[ . 1 . 2]" 1
459 1 78 MET H 2 92 LEU MD1 2.845 . 3.857 2.911 2.749 3.754 . 0 0 "[ . 1 . 2]" 1
460 1 92 LEU MD1 2 78 MET H 2.845 . 3.857 2.912 2.755 3.748 . 0 0 "[ . 1 . 2]" 1
461 1 78 MET H 1 82 LYS H 2.718 . 6.000 5.943 5.777 6.052 0.052 5 0 "[ . 1 . 2]" 1
462 2 78 MET H 2 82 LYS H 2.718 . 6.000 5.942 5.769 6.047 0.047 5 0 "[ . 1 . 2]" 1
463 1 76 GLU HA 1 77 ALA H 2.954 . 4.045 3.539 3.505 3.554 . 0 0 "[ . 1 . 2]" 1
464 2 76 GLU HA 2 77 ALA H 2.954 . 4.045 3.539 3.504 3.552 . 0 0 "[ . 1 . 2]" 1
465 1 76 GLU H 1 76 GLU QG 2.849 . 4.579 4.029 3.958 4.051 . 0 0 "[ . 1 . 2]" 1
466 2 76 GLU H 2 76 GLU QG 2.849 . 4.579 4.029 3.960 4.050 . 0 0 "[ . 1 . 2]" 1
467 1 75 LYS QB 1 76 GLU H 2.341 . 3.026 2.349 1.991 2.659 . 0 0 "[ . 1 . 2]" 1
468 2 75 LYS QB 2 76 GLU H 2.341 . 3.026 2.349 1.994 2.659 . 0 0 "[ . 1 . 2]" 1
469 1 75 LYS QG 1 76 GLU H 2.995 . 4.116 3.422 3.008 3.949 . 0 0 "[ . 1 . 2]" 1
470 2 75 LYS QG 2 76 GLU H 2.995 . 4.116 3.422 3.012 3.942 . 0 0 "[ . 1 . 2]" 1
471 1 75 LYS H 1 75 LYS HA 2.580 . 3.412 2.825 2.789 2.871 . 0 0 "[ . 1 . 2]" 1
472 2 75 LYS H 2 75 LYS HA 2.580 . 3.412 2.825 2.789 2.874 . 0 0 "[ . 1 . 2]" 1
473 1 74 LYS QB 1 75 LYS H 2.253 . 6.000 3.112 2.010 3.670 . 0 0 "[ . 1 . 2]" 1
474 2 74 LYS QB 2 75 LYS H 2.253 . 6.000 3.114 2.011 3.673 . 0 0 "[ . 1 . 2]" 1
475 1 74 LYS QG 1 75 LYS H 2.934 . 4.010 2.911 1.782 4.153 0.143 7 0 "[ . 1 . 2]" 1
476 2 74 LYS QG 2 75 LYS H 2.934 . 4.010 2.911 1.778 4.152 0.142 7 0 "[ . 1 . 2]" 1
477 1 74 LYS H 1 74 LYS HA 2.902 . 3.399 2.703 2.212 2.861 . 0 0 "[ . 1 . 2]" 1
478 2 74 LYS H 2 74 LYS HA 2.902 . 3.399 2.703 2.214 2.859 . 0 0 "[ . 1 . 2]" 1
479 1 73 GLY HA2 1 74 LYS H 2.563 . 3.384 2.328 2.110 3.099 . 0 0 "[ . 1 . 2]" 1
480 2 73 GLY HA2 2 74 LYS H 2.563 . 3.384 2.329 2.113 3.100 . 0 0 "[ . 1 . 2]" 1
481 1 74 LYS H 1 74 LYS QG 3.121 . 4.230 2.271 1.774 3.661 0.130 14 0 "[ . 1 . 2]" 1
482 2 74 LYS H 2 74 LYS QG 3.121 . 4.230 2.270 1.775 3.665 0.129 14 0 "[ . 1 . 2]" 1
483 1 73 GLY H 1 74 LYS H 3.189 . 6.000 4.174 2.960 4.608 . 0 0 "[ . 1 . 2]" 1
484 2 73 GLY H 2 74 LYS H 3.189 . 6.000 4.174 2.954 4.606 . 0 0 "[ . 1 . 2]" 1
485 1 72 VAL HA 1 73 GLY H 2.370 . 3.069 2.309 2.154 3.252 0.183 3 0 "[ . 1 . 2]" 1
486 2 72 VAL HA 2 73 GLY H 2.370 . 3.069 2.309 2.154 3.254 0.185 9 0 "[ . 1 . 2]" 1
487 1 72 VAL HB 1 73 GLY H 3.000 . 4.125 3.978 3.226 4.195 0.070 1 0 "[ . 1 . 2]" 1
488 2 72 VAL HB 2 73 GLY H 3.000 . 4.125 3.976 3.223 4.191 0.066 1 0 "[ . 1 . 2]" 1
489 1 73 GLY H 1 75 LYS QB 3.411 . 6.000 6.070 5.729 6.231 0.231 3 0 "[ . 1 . 2]" 1
490 2 73 GLY H 2 75 LYS QB 3.411 . 6.000 6.072 5.723 6.238 0.238 3 0 "[ . 1 . 2]" 1
491 1 72 VAL MG1 1 73 GLY H 2.966 . 4.065 2.666 2.218 3.799 . 0 0 "[ . 1 . 2]" 1
492 2 72 VAL MG1 2 73 GLY H 2.966 . 4.065 2.664 2.215 3.795 . 0 0 "[ . 1 . 2]" 1
493 1 71 SER H 1 72 VAL H 2.600 . 3.445 2.237 2.034 2.476 . 0 0 "[ . 1 . 2]" 1
494 2 71 SER H 2 72 VAL H 2.600 . 3.445 2.238 2.028 2.475 . 0 0 "[ . 1 . 2]" 1
495 1 70 GLY H 1 72 VAL H 3.460 . 4.956 4.248 4.133 4.467 . 0 0 "[ . 1 . 2]" 1
496 2 70 GLY H 2 72 VAL H 3.460 . 4.956 4.246 4.133 4.480 . 0 0 "[ . 1 . 2]" 1
497 1 72 VAL H 1 73 GLY H 3.391 . 4.829 4.352 2.313 4.626 . 0 0 "[ . 1 . 2]" 1
498 2 72 VAL H 2 73 GLY H 3.391 . 4.829 4.351 2.320 4.630 . 0 0 "[ . 1 . 2]" 1
499 1 71 SER HA 1 72 VAL H 2.869 . 3.898 3.357 3.119 3.442 . 0 0 "[ . 1 . 2]" 1
500 2 71 SER HA 2 72 VAL H 2.869 . 3.898 3.357 3.116 3.446 . 0 0 "[ . 1 . 2]" 1
501 1 72 VAL H 1 72 VAL HA 2.735 . 3.661 2.843 2.800 2.882 . 0 0 "[ . 1 . 2]" 1
502 2 72 VAL H 2 72 VAL HA 2.735 . 3.661 2.843 2.800 2.885 . 0 0 "[ . 1 . 2]" 1
503 1 71 SER QB 1 72 VAL H 3.033 . 4.183 3.169 2.958 3.586 . 0 0 "[ . 1 . 2]" 1
504 2 71 SER QB 2 72 VAL H 3.033 . 4.183 3.171 2.958 3.594 . 0 0 "[ . 1 . 2]" 1
505 1 72 VAL H 1 72 VAL HB 2.597 . 3.440 2.557 2.347 2.681 . 0 0 "[ . 1 . 2]" 1
506 2 72 VAL H 2 72 VAL HB 2.597 . 3.440 2.557 2.342 2.678 . 0 0 "[ . 1 . 2]" 1
507 1 44 ILE HB 1 72 VAL H 3.554 . 5.133 4.961 4.614 5.189 0.056 18 0 "[ . 1 . 2]" 1
508 2 44 ILE HB 2 72 VAL H 3.554 . 5.133 4.961 4.610 5.180 0.047 18 0 "[ . 1 . 2]" 1
509 1 72 VAL H 1 72 VAL MG2 2.408 . 3.133 2.072 1.932 2.458 . 0 0 "[ . 1 . 2]" 1
510 2 72 VAL H 2 72 VAL MG2 2.408 . 3.133 2.071 1.930 2.462 . 0 0 "[ . 1 . 2]" 1
511 1 71 SER H 1 71 SER QB 3.123 . 4.229 2.378 2.272 2.625 . 0 0 "[ . 1 . 2]" 1
512 2 71 SER H 2 71 SER QB 3.123 . 4.229 2.380 2.273 2.622 . 0 0 "[ . 1 . 2]" 1
513 1 71 SER H 1 72 VAL MG2 2.815 . 3.805 3.306 2.928 3.518 . 0 0 "[ . 1 . 2]" 1
514 2 71 SER H 2 72 VAL MG2 2.815 . 3.805 3.307 2.932 3.523 . 0 0 "[ . 1 . 2]" 1
515 1 69 TRP H 1 70 GLY H 3.069 . 4.247 2.815 2.711 2.959 . 0 0 "[ . 1 . 2]" 1
516 2 69 TRP H 2 70 GLY H 3.069 . 4.247 2.813 2.713 2.953 . 0 0 "[ . 1 . 2]" 1
517 1 70 GLY H 1 71 SER H 3.000 . 4.125 2.619 2.469 2.772 . 0 0 "[ . 1 . 2]" 1
518 2 70 GLY H 2 71 SER H 3.000 . 4.125 2.617 2.472 2.772 . 0 0 "[ . 1 . 2]" 1
519 1 67 ASN HA 1 70 GLY H 3.163 . 4.414 4.029 3.676 4.441 0.027 9 0 "[ . 1 . 2]" 1
520 2 67 ASN HA 2 70 GLY H 3.163 . 4.414 4.030 3.673 4.443 0.029 9 0 "[ . 1 . 2]" 1
521 1 70 GLY H 1 71 SER QB 2.622 . 6.000 4.367 4.087 4.694 . 0 0 "[ . 1 . 2]" 1
522 2 70 GLY H 2 71 SER QB 2.622 . 6.000 4.367 4.090 4.702 . 0 0 "[ . 1 . 2]" 1
523 1 69 TRP HB2 1 70 GLY H 3.386 . 4.819 3.700 3.594 3.893 . 0 0 "[ . 1 . 2]" 1
524 2 69 TRP HB2 2 70 GLY H 3.386 . 4.819 3.700 3.592 3.896 . 0 0 "[ . 1 . 2]" 1
525 1 98 ARG H 1 98 ARG QD 3.618 . 5.254 3.919 3.363 4.696 . 0 0 "[ . 1 . 2]" 1
526 2 98 ARG H 2 98 ARG QD 3.618 . 5.254 3.918 3.367 4.690 . 0 0 "[ . 1 . 2]" 1
527 1 95 ILE MG 1 98 ARG H 3.633 . 5.283 4.501 4.207 5.066 . 0 0 "[ . 1 . 2]" 1
528 2 95 ILE MG 2 98 ARG H 3.633 . 5.283 4.502 4.207 5.069 . 0 0 "[ . 1 . 2]" 1
529 1 77 ALA H 1 79 GLU H 3.230 . 4.534 4.202 4.101 4.359 . 0 0 "[ . 1 . 2]" 1
530 2 77 ALA H 2 79 GLU H 3.230 . 4.534 4.203 4.098 4.357 . 0 0 "[ . 1 . 2]" 1
531 1 57 THR H 1 58 ALA H 2.865 . 3.891 2.172 2.035 2.360 . 0 0 "[ . 1 . 2]" 1
532 2 57 THR H 2 58 ALA H 2.865 . 3.891 2.173 2.039 2.363 . 0 0 "[ . 1 . 2]" 1
533 1 58 ALA H 1 59 ILE H 2.808 . 6.000 4.226 2.601 4.635 . 0 0 "[ . 1 . 2]" 1
534 2 58 ALA H 2 59 ILE H 2.808 . 6.000 4.226 2.620 4.636 . 0 0 "[ . 1 . 2]" 1
535 1 58 ALA H 2 46 MET QG 3.399 . 6.000 4.986 4.731 5.812 . 0 0 "[ . 1 . 2]" 1
536 1 46 MET QG 2 58 ALA H 3.399 . 6.000 4.985 4.713 5.816 . 0 0 "[ . 1 . 2]" 1
537 1 58 ALA H 1 58 ALA MB 2.571 . 3.397 2.670 2.441 2.961 . 0 0 "[ . 1 . 2]" 1
538 2 58 ALA H 2 58 ALA MB 2.571 . 3.397 2.671 2.441 2.963 . 0 0 "[ . 1 . 2]" 1
539 1 57 THR MG 1 58 ALA H 3.086 . 4.277 4.005 3.753 4.239 . 0 0 "[ . 1 . 2]" 1
540 2 57 THR MG 2 58 ALA H 3.086 . 4.277 4.006 3.756 4.239 . 0 0 "[ . 1 . 2]" 1
541 1 55 ARG HB3 1 58 ALA H 3.637 . 6.000 5.682 5.084 6.033 0.033 17 0 "[ . 1 . 2]" 1
542 2 55 ARG HB3 2 58 ALA H 3.637 . 6.000 5.682 5.085 6.028 0.028 17 0 "[ . 1 . 2]" 1
543 1 52 ALA H 1 53 PHE H 3.090 . 3.979 2.721 2.676 2.769 . 0 0 "[ . 1 . 2]" 1
544 2 52 ALA H 2 53 PHE H 3.090 . 3.979 2.720 2.672 2.772 . 0 0 "[ . 1 . 2]" 1
545 1 53 PHE H 1 54 LEU H 3.306 . 4.673 2.934 2.826 3.058 . 0 0 "[ . 1 . 2]" 1
546 2 53 PHE H 2 54 LEU H 3.306 . 4.673 2.934 2.828 3.058 . 0 0 "[ . 1 . 2]" 1
547 1 52 ALA H 1 52 ALA HA 2.925 . 3.828 2.791 2.776 2.807 . 0 0 "[ . 1 . 2]" 1
548 2 52 ALA H 2 52 ALA HA 2.925 . 3.828 2.791 2.774 2.806 . 0 0 "[ . 1 . 2]" 1
549 1 51 LEU HB3 1 52 ALA H 2.511 . 3.301 2.241 2.155 2.372 . 0 0 "[ . 1 . 2]" 1
550 2 51 LEU HB3 2 52 ALA H 2.511 . 3.301 2.242 2.158 2.371 . 0 0 "[ . 1 . 2]" 1
551 1 52 ALA H 1 52 ALA MB 2.509 . 3.296 2.240 2.216 2.255 . 0 0 "[ . 1 . 2]" 1
552 2 52 ALA H 2 52 ALA MB 2.509 . 3.296 2.241 2.219 2.256 . 0 0 "[ . 1 . 2]" 1
553 1 52 ALA H 2 88 LEU MD2 3.282 . 6.000 4.472 4.069 4.837 . 0 0 "[ . 1 . 2]" 1
554 1 88 LEU MD2 2 52 ALA H 3.282 . 6.000 4.471 4.069 4.837 . 0 0 "[ . 1 . 2]" 1
555 1 49 ALA H 1 49 ALA HA 2.773 . 3.695 2.825 2.803 2.843 . 0 0 "[ . 1 . 2]" 1
556 2 49 ALA H 2 49 ALA HA 2.773 . 3.695 2.825 2.804 2.842 . 0 0 "[ . 1 . 2]" 1
557 1 46 MET HB2 1 49 ALA H 2.851 . 6.000 5.429 5.291 5.574 . 0 0 "[ . 1 . 2]" 1
558 2 46 MET HB2 2 49 ALA H 2.851 . 6.000 5.430 5.290 5.577 . 0 0 "[ . 1 . 2]" 1
559 1 49 ALA H 1 49 ALA MB 2.578 . 3.409 2.238 2.231 2.246 . 0 0 "[ . 1 . 2]" 1
560 2 49 ALA H 2 49 ALA MB 2.578 . 3.409 2.239 2.230 2.246 . 0 0 "[ . 1 . 2]" 1
561 1 49 ALA H 2 57 THR MG 3.113 . 6.000 4.360 4.157 4.594 . 0 0 "[ . 1 . 2]" 1
562 1 57 THR MG 2 49 ALA H 3.113 . 6.000 4.361 4.172 4.609 . 0 0 "[ . 1 . 2]" 1
563 1 93 ARG H 1 94 ILE HA 3.510 . 6.000 5.258 5.180 5.340 . 0 0 "[ . 1 . 2]" 1
564 2 93 ARG H 2 94 ILE HA 3.510 . 6.000 5.258 5.176 5.333 . 0 0 "[ . 1 . 2]" 1
565 1 92 LEU H 1 93 ARG H 2.893 . 3.613 2.766 2.691 2.879 . 0 0 "[ . 1 . 2]" 1
566 2 92 LEU H 2 93 ARG H 2.893 . 3.613 2.768 2.690 2.877 . 0 0 "[ . 1 . 2]" 1
567 1 68 ARG H 1 69 TRP H 3.036 . 4.189 2.292 2.240 2.351 . 0 0 "[ . 1 . 2]" 1
568 2 68 ARG H 2 69 TRP H 3.036 . 4.189 2.293 2.244 2.343 . 0 0 "[ . 1 . 2]" 1
569 1 67 ASN H 1 68 ARG H 3.095 . 4.248 2.659 2.511 2.779 . 0 0 "[ . 1 . 2]" 1
570 2 67 ASN H 2 68 ARG H 3.095 . 4.248 2.659 2.520 2.777 . 0 0 "[ . 1 . 2]" 1
571 1 66 ILE HA 1 68 ARG H 3.337 . 4.729 4.389 4.287 4.491 . 0 0 "[ . 1 . 2]" 1
572 2 66 ILE HA 2 68 ARG H 3.337 . 4.729 4.390 4.298 4.489 . 0 0 "[ . 1 . 2]" 1
573 1 68 ARG H 1 69 TRP HB3 3.286 . 4.635 4.518 4.127 4.705 0.070 13 0 "[ . 1 . 2]" 1
574 2 68 ARG H 2 69 TRP HB3 3.286 . 4.635 4.519 4.132 4.707 0.072 19 0 "[ . 1 . 2]" 1
575 1 67 ASN HB2 1 68 ARG H 2.951 . 4.040 3.697 2.805 3.973 . 0 0 "[ . 1 . 2]" 1
576 2 67 ASN HB2 2 68 ARG H 2.951 . 4.040 3.697 2.803 3.968 . 0 0 "[ . 1 . 2]" 1
577 1 66 ILE HB 1 68 ARG H 2.730 . 6.000 5.121 5.041 5.209 . 0 0 "[ . 1 . 2]" 1
578 2 66 ILE HB 2 68 ARG H 2.730 . 6.000 5.121 5.039 5.215 . 0 0 "[ . 1 . 2]" 1
579 1 65 LEU QB 1 68 ARG H 3.277 . 6.000 4.817 4.740 4.975 . 0 0 "[ . 1 . 2]" 1
580 2 65 LEU QB 2 68 ARG H 3.277 . 6.000 4.817 4.742 4.975 . 0 0 "[ . 1 . 2]" 1
581 1 65 LEU MD2 1 68 ARG H 3.229 . 6.000 5.431 5.030 5.659 . 0 0 "[ . 1 . 2]" 1
582 2 65 LEU MD2 2 68 ARG H 3.229 . 6.000 5.431 5.029 5.654 . 0 0 "[ . 1 . 2]" 1
583 1 55 ARG H 1 56 PHE H 3.011 . 4.009 2.417 2.188 2.801 . 0 0 "[ . 1 . 2]" 1
584 2 55 ARG H 2 56 PHE H 3.011 . 4.009 2.417 2.188 2.800 . 0 0 "[ . 1 . 2]" 1
585 1 54 LEU H 1 55 ARG H 3.094 . 4.291 2.680 2.616 2.792 . 0 0 "[ . 1 . 2]" 1
586 2 54 LEU H 2 55 ARG H 3.094 . 4.291 2.679 2.618 2.791 . 0 0 "[ . 1 . 2]" 1
587 1 55 ARG H 1 55 ARG HA 2.763 . 3.503 2.883 2.808 2.940 . 0 0 "[ . 1 . 2]" 1
588 2 55 ARG H 2 55 ARG HA 2.763 . 3.503 2.883 2.810 2.938 . 0 0 "[ . 1 . 2]" 1
589 1 52 ALA HA 1 55 ARG H 2.985 . 3.999 3.337 3.180 3.564 . 0 0 "[ . 1 . 2]" 1
590 2 52 ALA HA 2 55 ARG H 2.985 . 3.999 3.337 3.181 3.565 . 0 0 "[ . 1 . 2]" 1
591 1 55 ARG H 1 55 ARG HB3 2.437 . 6.000 3.407 2.261 3.725 . 0 0 "[ . 1 . 2]" 1
592 2 55 ARG H 2 55 ARG HB3 2.437 . 6.000 3.407 2.259 3.725 . 0 0 "[ . 1 . 2]" 1
593 1 55 ARG H 1 55 ARG HG2 2.778 . 3.743 2.919 2.346 4.536 0.793 12 3 "[ * 1 +- . 2]" 1
594 2 55 ARG H 2 55 ARG HG2 2.778 . 3.743 2.919 2.347 4.532 0.789 12 3 "[ - 1 +* . 2]" 1
595 1 55 ARG H 1 57 THR MG 3.095 . 6.000 4.731 4.397 5.150 . 0 0 "[ . 1 . 2]" 1
596 2 55 ARG H 2 57 THR MG 3.095 . 6.000 4.731 4.395 5.151 . 0 0 "[ . 1 . 2]" 1
597 1 45 ARG H 1 46 MET H 3.083 . 4.271 2.705 2.618 2.848 . 0 0 "[ . 1 . 2]" 1
598 2 45 ARG H 2 46 MET H 3.083 . 4.271 2.705 2.618 2.847 . 0 0 "[ . 1 . 2]" 1
599 1 87 ASP H 1 89 ALA H 3.193 . 4.468 4.073 3.909 4.245 . 0 0 "[ . 1 . 2]" 1
600 2 87 ASP H 2 89 ALA H 3.193 . 4.468 4.073 3.913 4.255 . 0 0 "[ . 1 . 2]" 1
601 1 44 ILE H 1 45 ARG H 2.903 . 3.956 2.887 2.745 3.106 . 0 0 "[ . 1 . 2]" 1
602 2 44 ILE H 2 45 ARG H 2.903 . 3.956 2.887 2.740 3.112 . 0 0 "[ . 1 . 2]" 1
603 1 84 PHE H 1 87 ASP H 3.189 . 6.000 4.721 4.619 4.877 . 0 0 "[ . 1 . 2]" 1
604 2 84 PHE H 2 87 ASP H 3.189 . 6.000 4.721 4.621 4.878 . 0 0 "[ . 1 . 2]" 1
605 1 44 ILE HA 1 45 ARG H 2.976 . 4.083 3.539 3.485 3.577 . 0 0 "[ . 1 . 2]" 1
606 2 44 ILE HA 2 45 ARG H 2.976 . 4.083 3.539 3.487 3.576 . 0 0 "[ . 1 . 2]" 1
607 1 45 ARG H 1 45 ARG HD2 3.022 . 4.163 4.176 2.273 4.757 0.594 19 3 "[ .* 1 - . +2]" 1
608 2 45 ARG H 2 45 ARG HD2 3.022 . 4.163 4.176 2.279 4.759 0.596 19 3 "[ .* 1 - . +2]" 1
609 1 45 ARG H 1 47 VAL HB 2.957 . 6.000 4.974 4.895 5.089 . 0 0 "[ . 1 . 2]" 1
610 2 45 ARG H 2 47 VAL HB 2.957 . 6.000 4.974 4.892 5.090 . 0 0 "[ . 1 . 2]" 1
611 1 66 ILE H 1 67 ASN H 2.928 . 4.000 2.644 2.515 2.737 . 0 0 "[ . 1 . 2]" 1
612 2 66 ILE H 2 67 ASN H 2.928 . 4.000 2.645 2.518 2.741 . 0 0 "[ . 1 . 2]" 1
613 1 65 LEU H 1 67 ASN H 3.703 . 5.417 4.032 3.886 4.188 . 0 0 "[ . 1 . 2]" 1
614 2 65 LEU H 2 67 ASN H 3.703 . 5.417 4.031 3.889 4.187 . 0 0 "[ . 1 . 2]" 1
615 1 67 ASN H 1 67 ASN HA 2.774 . 3.736 2.822 2.786 2.858 . 0 0 "[ . 1 . 2]" 1
616 2 67 ASN H 2 67 ASN HA 2.774 . 3.736 2.822 2.788 2.857 . 0 0 "[ . 1 . 2]" 1
617 1 66 ILE HA 1 67 ASN H 3.107 . 4.314 3.517 3.490 3.534 . 0 0 "[ . 1 . 2]" 1
618 2 66 ILE HA 2 67 ASN H 3.107 . 4.314 3.517 3.489 3.534 . 0 0 "[ . 1 . 2]" 1
619 1 67 ASN H 1 67 ASN HB3 2.534 . 3.337 2.720 2.458 3.565 0.228 2 0 "[ . 1 . 2]" 1
620 2 67 ASN H 2 67 ASN HB3 2.534 . 3.337 2.720 2.459 3.564 0.227 2 0 "[ . 1 . 2]" 1
621 1 66 ILE HB 1 67 ASN H 2.838 . 3.845 2.700 2.539 2.811 . 0 0 "[ . 1 . 2]" 1
622 2 66 ILE HB 2 67 ASN H 2.838 . 3.845 2.699 2.542 2.810 . 0 0 "[ . 1 . 2]" 1
623 1 65 LEU QB 1 67 ASN H 3.476 . 4.987 4.644 4.564 4.757 . 0 0 "[ . 1 . 2]" 1
624 2 65 LEU QB 2 67 ASN H 3.476 . 4.987 4.643 4.570 4.753 . 0 0 "[ . 1 . 2]" 1
625 1 66 ILE HG13 1 67 ASN H 3.635 . 5.287 4.980 4.863 5.058 . 0 0 "[ . 1 . 2]" 1
626 2 66 ILE HG13 2 67 ASN H 3.635 . 5.287 4.979 4.870 5.057 . 0 0 "[ . 1 . 2]" 1
627 1 66 ILE MG 1 67 ASN H 2.950 . 4.038 3.510 3.270 3.601 . 0 0 "[ . 1 . 2]" 1
628 2 66 ILE MG 2 67 ASN H 2.950 . 4.038 3.510 3.271 3.601 . 0 0 "[ . 1 . 2]" 1
629 1 76 GLU H 2 95 ILE MG 3.399 . 6.000 5.627 5.261 6.032 0.032 19 0 "[ . 1 . 2]" 1
630 1 95 ILE MG 2 76 GLU H 3.399 . 6.000 5.629 5.249 6.006 0.006 19 0 "[ . 1 . 2]" 1
631 1 44 ILE HB 1 73 GLY H 3.588 . 5.197 4.463 3.685 5.310 0.113 9 0 "[ . 1 . 2]" 1
632 2 44 ILE HB 2 73 GLY H 3.588 . 5.197 4.461 3.689 5.312 0.115 9 0 "[ . 1 . 2]" 1
633 1 64 GLY H 1 65 LEU H 3.104 . 4.179 2.704 2.608 2.757 . 0 0 "[ . 1 . 2]" 1
634 2 64 GLY H 2 65 LEU H 3.104 . 4.179 2.703 2.616 2.776 . 0 0 "[ . 1 . 2]" 1
635 1 62 SER HA 1 64 GLY H 3.062 . 4.234 4.062 3.822 4.299 0.065 12 0 "[ . 1 . 2]" 1
636 2 62 SER HA 2 64 GLY H 3.062 . 4.234 4.062 3.818 4.294 0.060 12 0 "[ . 1 . 2]" 1
637 1 63 LEU HA 1 64 GLY H 3.203 . 4.485 3.466 3.425 3.511 . 0 0 "[ . 1 . 2]" 1
638 2 63 LEU HA 2 64 GLY H 3.203 . 4.485 3.466 3.422 3.511 . 0 0 "[ . 1 . 2]" 1
639 1 64 GLY H 1 64 GLY HA2 2.603 . 3.450 2.823 2.802 2.853 . 0 0 "[ . 1 . 2]" 1
640 2 64 GLY H 2 64 GLY HA2 2.603 . 3.450 2.823 2.799 2.852 . 0 0 "[ . 1 . 2]" 1
641 1 63 LEU QD 1 64 GLY H 3.162 . 4.412 4.206 3.868 4.316 . 0 0 "[ . 1 . 2]" 1
642 2 63 LEU QD 2 64 GLY H 3.162 . 4.412 4.207 3.865 4.317 . 0 0 "[ . 1 . 2]" 1
643 1 63 LEU HB2 1 64 GLY H 2.808 . 6.000 3.049 2.908 3.180 . 0 0 "[ . 1 . 2]" 1
644 2 63 LEU HB2 2 64 GLY H 2.808 . 6.000 3.051 2.890 3.180 . 0 0 "[ . 1 . 2]" 1
645 1 41 HIS HA 1 42 GLY H 3.065 . 4.062 2.290 2.140 2.517 . 0 0 "[ . 1 . 2]" 1
646 2 41 HIS HA 2 42 GLY H 3.065 . 4.062 2.288 2.136 2.518 . 0 0 "[ . 1 . 2]" 1
647 1 41 HIS HB3 1 42 GLY H 3.659 . 5.332 4.125 2.241 4.495 . 0 0 "[ . 1 . 2]" 1
648 2 41 HIS HB3 2 42 GLY H 3.659 . 5.332 4.122 2.246 4.498 . 0 0 "[ . 1 . 2]" 1
649 1 39 LEU H 1 41 HIS H 3.267 . 3.779 3.689 3.510 3.860 0.081 7 0 "[ . 1 . 2]" 1
650 2 39 LEU H 2 41 HIS H 3.267 . 3.779 3.692 3.514 3.862 0.083 7 0 "[ . 1 . 2]" 1
651 1 36 GLY HA3 1 41 HIS H 3.092 . 4.287 3.905 3.201 4.396 0.109 7 0 "[ . 1 . 2]" 1
652 2 36 GLY HA3 2 41 HIS H 3.092 . 4.287 3.905 3.190 4.391 0.104 7 0 "[ . 1 . 2]" 1
653 1 40 GLY HA2 1 41 HIS H 3.205 . 4.489 3.055 2.794 3.484 . 0 0 "[ . 1 . 2]" 1
654 2 40 GLY HA2 2 41 HIS H 3.205 . 4.489 3.056 2.795 3.482 . 0 0 "[ . 1 . 2]" 1
655 1 41 HIS H 1 41 HIS HB3 2.937 . 4.015 3.103 2.473 3.830 . 0 0 "[ . 1 . 2]" 1
656 2 41 HIS H 2 41 HIS HB3 2.937 . 4.015 3.103 2.469 3.830 . 0 0 "[ . 1 . 2]" 1
657 1 41 HIS H 1 41 HIS HB2 2.872 . 3.903 2.823 2.434 3.986 0.083 14 0 "[ . 1 . 2]" 1
658 2 41 HIS H 2 41 HIS HB2 2.872 . 3.903 2.823 2.435 3.986 0.083 14 0 "[ . 1 . 2]" 1
659 1 39 LEU QD 1 41 HIS H 2.953 . 6.000 4.494 4.044 5.018 . 0 0 "[ . 1 . 2]" 1
660 2 39 LEU QD 2 41 HIS H 2.953 . 6.000 4.495 4.043 5.019 . 0 0 "[ . 1 . 2]" 1
661 1 80 ILE MD 1 81 ILE H 3.438 . 4.916 4.372 4.288 4.425 . 0 0 "[ . 1 . 2]" 1
662 2 80 ILE MD 2 81 ILE H 3.438 . 4.916 4.373 4.287 4.424 . 0 0 "[ . 1 . 2]" 1
663 1 87 ASP H 1 88 LEU H 3.500 . 5.031 2.557 2.481 2.663 . 0 0 "[ . 1 . 2]" 1
664 2 87 ASP H 2 88 LEU H 3.500 . 5.031 2.558 2.488 2.669 . 0 0 "[ . 1 . 2]" 1
665 1 65 LEU H 1 66 ILE H 3.106 . 4.291 2.567 2.490 2.641 . 0 0 "[ . 1 . 2]" 1
666 2 65 LEU H 2 66 ILE H 3.106 . 4.291 2.568 2.494 2.641 . 0 0 "[ . 1 . 2]" 1
667 1 62 SER HA 1 65 LEU H 3.595 . 5.211 4.880 4.587 5.010 . 0 0 "[ . 1 . 2]" 1
668 2 62 SER HA 2 65 LEU H 3.595 . 5.211 4.881 4.589 5.009 . 0 0 "[ . 1 . 2]" 1
669 1 64 GLY HA3 1 65 LEU H 2.966 . 4.065 2.729 2.686 2.791 . 0 0 "[ . 1 . 2]" 1
670 2 64 GLY HA3 2 65 LEU H 2.966 . 4.065 2.730 2.686 2.784 . 0 0 "[ . 1 . 2]" 1
671 1 64 GLY HA2 1 65 LEU H 2.918 . 3.983 3.544 3.529 3.561 . 0 0 "[ . 1 . 2]" 1
672 2 64 GLY HA2 2 65 LEU H 2.918 . 3.983 3.544 3.527 3.561 . 0 0 "[ . 1 . 2]" 1
673 1 65 LEU H 1 66 ILE HB 3.361 . 4.773 4.762 4.698 4.804 0.031 16 0 "[ . 1 . 2]" 1
674 2 65 LEU H 2 66 ILE HB 3.361 . 4.773 4.762 4.697 4.802 0.029 16 0 "[ . 1 . 2]" 1
675 1 61 PRO HB2 1 65 LEU H 2.872 . 6.000 5.416 4.499 5.913 . 0 0 "[ . 1 . 2]" 1
676 2 61 PRO HB2 2 65 LEU H 2.872 . 6.000 5.416 4.500 5.909 . 0 0 "[ . 1 . 2]" 1
677 1 65 LEU H 1 65 LEU HG 2.877 . 3.912 3.947 3.905 3.981 0.069 16 0 "[ . 1 . 2]" 1
678 2 65 LEU H 2 65 LEU HG 2.877 . 3.912 3.946 3.907 3.982 0.070 16 0 "[ . 1 . 2]" 1
679 1 62 SER HA 1 63 LEU H 2.547 . 3.358 2.228 2.176 2.453 . 0 0 "[ . 1 . 2]" 1
680 2 62 SER HA 2 63 LEU H 2.547 . 3.358 2.229 2.182 2.447 . 0 0 "[ . 1 . 2]" 1
681 1 63 LEU H 1 63 LEU HA 2.822 . 3.818 2.808 2.783 2.834 . 0 0 "[ . 1 . 2]" 1
682 2 63 LEU H 2 63 LEU HA 2.822 . 3.818 2.808 2.780 2.839 . 0 0 "[ . 1 . 2]" 1
683 1 63 LEU H 1 64 GLY HA2 3.458 . 6.000 5.254 5.146 5.339 . 0 0 "[ . 1 . 2]" 1
684 2 63 LEU H 2 64 GLY HA2 3.458 . 6.000 5.254 5.154 5.341 . 0 0 "[ . 1 . 2]" 1
685 1 63 LEU H 1 66 ILE HB 3.807 . 5.619 4.892 4.780 5.065 . 0 0 "[ . 1 . 2]" 1
686 2 63 LEU H 2 66 ILE HB 3.807 . 5.619 4.892 4.788 5.062 . 0 0 "[ . 1 . 2]" 1
687 1 63 LEU H 1 63 LEU HB2 2.451 . 6.000 2.449 2.281 2.509 . 0 0 "[ . 1 . 2]" 1
688 2 63 LEU H 2 63 LEU HB2 2.451 . 6.000 2.449 2.279 2.511 . 0 0 "[ . 1 . 2]" 1
689 1 63 LEU H 1 63 LEU QD 3.019 . 4.158 2.886 2.036 3.101 . 0 0 "[ . 1 . 2]" 1
690 2 63 LEU H 2 63 LEU QD 3.019 . 4.158 2.886 2.030 3.098 . 0 0 "[ . 1 . 2]" 1
691 1 53 PHE HA 1 54 LEU H 2.820 . 3.814 3.559 3.552 3.566 . 0 0 "[ . 1 . 2]" 1
692 2 53 PHE HA 2 54 LEU H 2.820 . 3.814 3.559 3.553 3.567 . 0 0 "[ . 1 . 2]" 1
693 1 52 ALA HA 1 54 LEU H 3.134 . 6.000 4.676 4.549 4.828 . 0 0 "[ . 1 . 2]" 1
694 2 52 ALA HA 2 54 LEU H 3.134 . 6.000 4.675 4.546 4.834 . 0 0 "[ . 1 . 2]" 1
695 1 54 LEU H 1 54 LEU HG 2.439 . 3.182 2.281 2.104 2.389 . 0 0 "[ . 1 . 2]" 1
696 2 54 LEU H 2 54 LEU HG 2.439 . 3.182 2.280 2.100 2.391 . 0 0 "[ . 1 . 2]" 1
697 1 54 LEU H 1 57 THR MG 2.955 . 4.641 4.739 4.699 4.776 0.135 13 0 "[ . 1 . 2]" 1
698 2 54 LEU H 2 57 THR MG 2.955 . 4.641 4.739 4.701 4.778 0.137 13 0 "[ . 1 . 2]" 1
699 1 50 ILE H 1 51 LEU H 3.121 . 4.339 2.544 2.488 2.596 . 0 0 "[ . 1 . 2]" 1
700 2 50 ILE H 2 51 LEU H 3.121 . 4.339 2.545 2.491 2.595 . 0 0 "[ . 1 . 2]" 1
701 1 50 ILE HA 1 51 LEU H 3.339 . 4.733 3.492 3.459 3.517 . 0 0 "[ . 1 . 2]" 1
702 2 50 ILE HA 2 51 LEU H 3.339 . 4.733 3.493 3.460 3.516 . 0 0 "[ . 1 . 2]" 1
703 1 51 LEU H 1 52 ALA HA 3.702 . 5.415 5.381 5.263 5.440 0.025 2 0 "[ . 1 . 2]" 1
704 2 51 LEU H 2 52 ALA HA 3.702 . 5.415 5.382 5.260 5.441 0.026 17 0 "[ . 1 . 2]" 1
705 1 47 VAL H 1 48 LEU H 2.803 . 3.785 2.758 2.596 2.829 . 0 0 "[ . 1 . 2]" 1
706 2 47 VAL H 2 48 LEU H 2.803 . 3.785 2.759 2.599 2.832 . 0 0 "[ . 1 . 2]" 1
707 1 47 VAL HA 1 48 LEU H 2.841 . 3.850 3.560 3.510 3.571 . 0 0 "[ . 1 . 2]" 1
708 2 47 VAL HA 2 48 LEU H 2.841 . 3.850 3.560 3.510 3.572 . 0 0 "[ . 1 . 2]" 1
709 1 48 LEU H 1 48 LEU HB2 2.871 . 3.901 2.322 2.080 2.498 . 0 0 "[ . 1 . 2]" 1
710 2 48 LEU H 2 48 LEU HB2 2.871 . 3.901 2.322 2.080 2.496 . 0 0 "[ . 1 . 2]" 1
711 1 48 LEU H 1 48 LEU QD 3.473 . 4.981 2.581 2.028 3.281 . 0 0 "[ . 1 . 2]" 1
712 2 48 LEU H 2 48 LEU QD 3.473 . 4.981 2.581 2.029 3.282 . 0 0 "[ . 1 . 2]" 1
713 1 38 LEU QB 1 39 LEU H 2.563 . 3.384 2.668 2.407 2.954 . 0 0 "[ . 1 . 2]" 1
714 2 38 LEU QB 2 39 LEU H 2.563 . 3.384 2.666 2.407 2.951 . 0 0 "[ . 1 . 2]" 1
715 1 38 LEU H 1 39 LEU H 3.327 . 4.387 2.221 2.048 2.350 . 0 0 "[ . 1 . 2]" 1
716 2 38 LEU H 2 39 LEU H 3.327 . 4.387 2.221 2.046 2.344 . 0 0 "[ . 1 . 2]" 1
717 1 36 GLY HA2 1 37 LEU H 2.579 . 3.410 3.435 2.549 3.520 0.110 11 0 "[ . 1 . 2]" 1
718 2 36 GLY HA2 2 37 LEU H 2.579 . 3.410 3.435 2.555 3.518 0.108 11 0 "[ . 1 . 2]" 1
719 1 37 LEU H 1 40 GLY QA 2.961 . 6.000 5.737 5.425 6.025 0.025 9 0 "[ . 1 . 2]" 1
720 2 37 LEU H 2 40 GLY QA 2.961 . 6.000 5.738 5.423 6.031 0.031 9 0 "[ . 1 . 2]" 1
721 1 94 ILE HA 1 95 ILE H 3.393 . 4.832 3.541 3.505 3.576 . 0 0 "[ . 1 . 2]" 1
722 2 94 ILE HA 2 95 ILE H 3.393 . 4.832 3.541 3.507 3.572 . 0 0 "[ . 1 . 2]" 1
723 1 95 ILE H 1 98 ARG QG 3.403 . 4.851 4.333 3.908 4.900 0.049 11 0 "[ . 1 . 2]" 1
724 2 95 ILE H 2 98 ARG QG 3.403 . 4.851 4.332 3.906 4.896 0.045 11 0 "[ . 1 . 2]" 1
725 1 80 ILE HA 1 81 ILE H 3.506 . 4.408 3.558 3.545 3.571 . 0 0 "[ . 1 . 2]" 1
726 2 80 ILE HA 2 81 ILE H 3.506 . 4.408 3.558 3.545 3.572 . 0 0 "[ . 1 . 2]" 1
727 1 81 ILE H 1 84 PHE QB 2.980 . 6.000 4.252 4.115 4.414 . 0 0 "[ . 1 . 2]" 1
728 2 81 ILE H 2 84 PHE QB 2.980 . 6.000 4.252 4.113 4.412 . 0 0 "[ . 1 . 2]" 1
729 1 79 GLU QG 1 80 ILE H 3.424 . 4.889 3.990 3.735 4.094 . 0 0 "[ . 1 . 2]" 1
730 2 79 GLU QG 2 80 ILE H 3.424 . 4.889 3.989 3.736 4.099 . 0 0 "[ . 1 . 2]" 1
731 1 63 LEU HA 1 66 ILE H 2.852 . 3.869 3.073 2.894 3.392 . 0 0 "[ . 1 . 2]" 1
732 2 63 LEU HA 2 66 ILE H 2.852 . 3.869 3.075 2.897 3.392 . 0 0 "[ . 1 . 2]" 1
733 1 66 ILE H 1 66 ILE HA 2.979 . 3.939 2.818 2.792 2.847 . 0 0 "[ . 1 . 2]" 1
734 2 66 ILE H 2 66 ILE HA 2.979 . 3.939 2.817 2.792 2.845 . 0 0 "[ . 1 . 2]" 1
735 1 66 ILE H 1 69 TRP HB2 3.799 . 5.603 4.443 4.158 4.982 . 0 0 "[ . 1 . 2]" 1
736 2 66 ILE H 2 69 TRP HB2 3.799 . 5.603 4.442 4.158 4.983 . 0 0 "[ . 1 . 2]" 1
737 1 66 ILE H 1 66 ILE HB 2.567 . 3.391 2.522 2.490 2.544 . 0 0 "[ . 1 . 2]" 1
738 2 66 ILE H 2 66 ILE HB 2.567 . 3.391 2.521 2.488 2.546 . 0 0 "[ . 1 . 2]" 1
739 1 65 LEU HB2 1 66 ILE H 2.840 . 3.848 2.687 2.479 2.911 . 0 0 "[ . 1 . 2]" 1
740 2 65 LEU HB2 2 66 ILE H 2.840 . 3.848 2.685 2.482 2.911 . 0 0 "[ . 1 . 2]" 1
741 1 66 ILE H 1 66 ILE MD 3.018 . 4.156 3.225 3.126 3.330 . 0 0 "[ . 1 . 2]" 1
742 2 66 ILE H 2 66 ILE MD 3.018 . 4.156 3.224 3.127 3.336 . 0 0 "[ . 1 . 2]" 1
743 1 58 ALA HA 1 59 ILE H 2.594 . 3.435 2.610 2.418 2.896 . 0 0 "[ . 1 . 2]" 1
744 2 58 ALA HA 2 59 ILE H 2.594 . 3.435 2.609 2.416 2.900 . 0 0 "[ . 1 . 2]" 1
745 1 48 LEU HA 1 50 ILE H 3.487 . 5.007 4.604 4.467 4.718 . 0 0 "[ . 1 . 2]" 1
746 2 48 LEU HA 2 50 ILE H 3.487 . 5.007 4.606 4.464 4.720 . 0 0 "[ . 1 . 2]" 1
747 1 51 LEU H 1 51 LEU HB3 2.758 . 3.709 2.571 2.451 2.812 . 0 0 "[ . 1 . 2]" 1
748 2 51 LEU H 2 51 LEU HB3 2.758 . 3.709 2.571 2.452 2.811 . 0 0 "[ . 1 . 2]" 1
749 1 51 LEU H 1 54 LEU MD1 2.992 . 6.000 4.760 4.558 5.135 . 0 0 "[ . 1 . 2]" 1
750 2 51 LEU H 2 54 LEU MD1 2.992 . 6.000 4.760 4.559 5.137 . 0 0 "[ . 1 . 2]" 1
751 1 50 ILE MG 1 51 LEU H 3.049 . 4.211 3.282 2.310 3.966 . 0 0 "[ . 1 . 2]" 1
752 2 50 ILE MG 2 51 LEU H 3.049 . 4.211 3.282 2.310 3.967 . 0 0 "[ . 1 . 2]" 1
753 1 50 ILE H 1 50 ILE HB 2.952 . 4.042 2.640 2.548 3.653 . 0 0 "[ . 1 . 2]" 1
754 2 50 ILE H 2 50 ILE HB 2.952 . 4.042 2.640 2.549 3.652 . 0 0 "[ . 1 . 2]" 1
755 1 49 ALA MB 1 50 ILE H 3.033 . 4.183 2.385 2.317 2.459 . 0 0 "[ . 1 . 2]" 1
756 2 49 ALA MB 2 50 ILE H 3.033 . 4.183 2.384 2.312 2.456 . 0 0 "[ . 1 . 2]" 1
757 1 50 ILE H 1 52 ALA MB 2.792 . 6.000 5.092 4.912 5.245 . 0 0 "[ . 1 . 2]" 1
758 2 50 ILE H 2 52 ALA MB 2.792 . 6.000 5.092 4.913 5.245 . 0 0 "[ . 1 . 2]" 1
759 1 50 ILE H 1 50 ILE MG 3.012 . 4.146 3.206 2.086 3.783 . 0 0 "[ . 1 . 2]" 1
760 2 50 ILE H 2 50 ILE MG 3.012 . 4.146 3.205 2.088 3.782 . 0 0 "[ . 1 . 2]" 1
761 1 50 ILE H 2 57 THR MG 3.336 . 4.727 3.528 3.197 3.851 . 0 0 "[ . 1 . 2]" 1
762 1 57 THR MG 2 50 ILE H 3.336 . 4.727 3.527 3.210 3.860 . 0 0 "[ . 1 . 2]" 1
763 1 50 ILE H 1 50 ILE MD 3.521 . 5.053 3.828 3.524 4.447 . 0 0 "[ . 1 . 2]" 1
764 2 50 ILE H 2 50 ILE MD 3.521 . 5.053 3.828 3.521 4.447 . 0 0 "[ . 1 . 2]" 1
765 1 44 ILE H 1 44 ILE HA 2.863 . 3.501 2.762 2.705 2.788 . 0 0 "[ . 1 . 2]" 1
766 2 44 ILE H 2 44 ILE HA 2.863 . 3.501 2.762 2.703 2.790 . 0 0 "[ . 1 . 2]" 1
767 1 43 PRO HA 1 44 ILE H 3.281 . 4.627 2.486 2.300 2.615 . 0 0 "[ . 1 . 2]" 1
768 2 43 PRO HA 2 44 ILE H 3.281 . 4.627 2.488 2.299 2.614 . 0 0 "[ . 1 . 2]" 1
769 1 44 ILE H 1 44 ILE HG12 2.859 . 3.881 2.021 1.750 2.271 0.087 2 0 "[ . 1 . 2]" 1
770 2 44 ILE H 2 44 ILE HG12 2.859 . 3.881 2.020 1.756 2.266 0.081 2 0 "[ . 1 . 2]" 1
771 1 99 LYS QB 1 101 LYS H 2.498 . 3.278 3.006 2.303 3.307 0.029 6 0 "[ . 1 . 2]" 1
772 2 99 LYS QB 2 101 LYS H 2.498 . 3.278 3.006 2.305 3.308 0.030 8 0 "[ . 1 . 2]" 1
773 1 101 LYS H 1 101 LYS HA 2.250 . 2.883 2.620 2.255 2.925 0.042 10 0 "[ . 1 . 2]" 1
774 2 101 LYS H 2 101 LYS HA 2.250 . 2.883 2.620 2.252 2.925 0.042 10 0 "[ . 1 . 2]" 1
775 1 86 LYS H 1 86 LYS QB 3.332 . 4.720 2.276 2.168 2.486 . 0 0 "[ . 1 . 2]" 1
776 2 86 LYS H 2 86 LYS QB 3.332 . 4.720 2.276 2.167 2.490 . 0 0 "[ . 1 . 2]" 1
777 1 77 ALA H 1 80 ILE H 3.702 . 5.415 4.627 4.568 4.795 . 0 0 "[ . 1 . 2]" 1
778 2 77 ALA H 2 80 ILE H 3.702 . 5.415 4.627 4.564 4.795 . 0 0 "[ . 1 . 2]" 1
779 1 74 LYS HA 1 75 LYS H 3.240 . 4.552 3.498 3.398 3.592 . 0 0 "[ . 1 . 2]" 1
780 2 74 LYS HA 2 75 LYS H 3.240 . 4.552 3.497 3.394 3.593 . 0 0 "[ . 1 . 2]" 1
781 1 75 LYS H 2 95 ILE MG 3.711 . 5.433 4.948 4.657 5.272 . 0 0 "[ . 1 . 2]" 1
782 1 95 ILE MG 2 75 LYS H 3.711 . 5.433 4.949 4.644 5.266 . 0 0 "[ . 1 . 2]" 1
783 1 59 ILE HA 1 60 LYS H 2.537 . 3.007 2.559 2.107 3.446 0.439 10 0 "[ . 1 . 2]" 1
784 2 59 ILE HA 2 60 LYS H 2.537 . 3.007 2.559 2.113 3.446 0.439 10 0 "[ . 1 . 2]" 1
785 1 60 LYS H 1 60 LYS HB2 2.496 . 3.275 3.132 2.420 3.612 0.337 18 0 "[ . 1 . 2]" 1
786 2 60 LYS H 2 60 LYS HB2 2.496 . 3.275 3.132 2.421 3.613 0.338 18 0 "[ . 1 . 2]" 1
787 1 59 ILE MG 1 60 LYS H 2.741 . 3.680 3.060 2.303 4.029 0.349 18 0 "[ . 1 . 2]" 1
788 2 59 ILE MG 2 60 LYS H 2.741 . 3.680 3.060 2.316 4.026 0.346 18 0 "[ . 1 . 2]" 1
789 1 78 MET H 1 80 ILE H 3.740 . 5.489 4.127 4.032 4.257 . 0 0 "[ . 1 . 2]" 1
790 2 78 MET H 2 80 ILE H 3.740 . 5.489 4.126 4.028 4.254 . 0 0 "[ . 1 . 2]" 1
791 1 46 MET H 1 47 VAL H 3.030 . 3.519 2.543 2.417 2.674 . 0 0 "[ . 1 . 2]" 1
792 2 46 MET H 2 47 VAL H 3.030 . 3.519 2.543 2.417 2.656 . 0 0 "[ . 1 . 2]" 1
793 1 44 ILE H 1 46 MET H 3.712 . 5.434 4.415 4.245 4.510 . 0 0 "[ . 1 . 2]" 1
794 2 44 ILE H 2 46 MET H 3.712 . 5.434 4.415 4.247 4.513 . 0 0 "[ . 1 . 2]" 1
795 1 46 MET H 1 46 MET HA 2.788 . 3.759 2.838 2.804 2.873 . 0 0 "[ . 1 . 2]" 1
796 2 46 MET H 2 46 MET HA 2.788 . 3.759 2.838 2.807 2.874 . 0 0 "[ . 1 . 2]" 1
797 1 45 ARG QD 1 46 MET H 3.304 . 4.669 4.510 3.839 4.741 0.072 13 0 "[ . 1 . 2]" 1
798 2 45 ARG QD 2 46 MET H 3.304 . 4.669 4.510 3.842 4.735 0.066 13 0 "[ . 1 . 2]" 1
799 1 46 MET H 1 49 ALA MB 3.146 . 6.000 4.515 4.332 4.674 . 0 0 "[ . 1 . 2]" 1
800 2 46 MET H 2 49 ALA MB 3.146 . 6.000 4.516 4.333 4.677 . 0 0 "[ . 1 . 2]" 1
801 1 71 SER H 1 72 VAL HB 3.502 . 5.035 4.567 4.081 4.935 . 0 0 "[ . 1 . 2]" 1
802 2 71 SER H 2 72 VAL HB 3.502 . 5.035 4.568 4.091 4.933 . 0 0 "[ . 1 . 2]" 1
803 1 62 SER H 1 63 LEU H 3.787 . 5.580 4.535 4.129 4.622 . 0 0 "[ . 1 . 2]" 1
804 2 62 SER H 2 63 LEU H 3.787 . 5.580 4.535 4.129 4.625 . 0 0 "[ . 1 . 2]" 1
805 1 56 PHE H 1 57 THR H 3.258 . 4.428 2.257 2.078 2.513 . 0 0 "[ . 1 . 2]" 1
806 2 56 PHE H 2 57 THR H 3.258 . 4.428 2.256 2.073 2.509 . 0 0 "[ . 1 . 2]" 1
807 1 56 PHE HA 1 57 THR H 3.422 . 4.886 3.397 3.334 3.483 . 0 0 "[ . 1 . 2]" 1
808 2 56 PHE HA 2 57 THR H 3.422 . 4.886 3.397 3.332 3.483 . 0 0 "[ . 1 . 2]" 1
809 1 57 THR H 1 57 THR HA 2.885 . 3.925 2.942 2.914 2.958 . 0 0 "[ . 1 . 2]" 1
810 2 57 THR H 2 57 THR HA 2.885 . 3.925 2.942 2.913 2.958 . 0 0 "[ . 1 . 2]" 1
811 1 57 THR H 2 46 MET QG 2.948 . 6.000 4.317 4.050 4.919 . 0 0 "[ . 1 . 2]" 1
812 1 46 MET QG 2 57 THR H 2.948 . 6.000 4.319 4.035 4.927 . 0 0 "[ . 1 . 2]" 1
813 1 57 THR H 1 57 THR MG 2.830 . 3.831 2.488 2.279 2.676 . 0 0 "[ . 1 . 2]" 1
814 2 57 THR H 2 57 THR MG 2.830 . 3.831 2.488 2.281 2.682 . 0 0 "[ . 1 . 2]" 1
815 1 47 VAL H 1 49 ALA H 3.658 . 5.330 3.932 3.782 4.034 . 0 0 "[ . 1 . 2]" 1
816 2 47 VAL H 2 49 ALA H 3.658 . 5.330 3.933 3.785 4.033 . 0 0 "[ . 1 . 2]" 1
817 1 44 ILE H 1 47 VAL H 3.587 . 5.195 4.653 4.553 4.771 . 0 0 "[ . 1 . 2]" 1
818 2 44 ILE H 2 47 VAL H 3.587 . 5.195 4.653 4.547 4.774 . 0 0 "[ . 1 . 2]" 1
819 1 47 VAL H 1 47 VAL HA 2.813 . 3.652 2.804 2.786 2.834 . 0 0 "[ . 1 . 2]" 1
820 2 47 VAL H 2 47 VAL HA 2.813 . 3.652 2.804 2.784 2.834 . 0 0 "[ . 1 . 2]" 1
821 1 46 MET HA 1 47 VAL H 3.235 . 4.116 3.489 3.451 3.517 . 0 0 "[ . 1 . 2]" 1
822 2 46 MET HA 2 47 VAL H 3.235 . 4.116 3.488 3.451 3.513 . 0 0 "[ . 1 . 2]" 1
823 1 47 VAL H 1 68 ARG QD 3.525 . 6.000 4.994 4.687 5.435 . 0 0 "[ . 1 . 2]" 1
824 2 47 VAL H 2 68 ARG QD 3.525 . 6.000 4.994 4.679 5.435 . 0 0 "[ . 1 . 2]" 1
825 1 46 MET HB2 1 47 VAL H 2.506 . 3.291 3.109 2.897 4.002 0.711 12 2 "[ - 1 + . 2]" 1
826 2 46 MET HB2 2 47 VAL H 2.506 . 3.291 3.109 2.900 4.001 0.710 12 2 "[ - 1 + . 2]" 1
827 1 47 VAL H 1 47 VAL HB 2.579 . 3.410 2.550 2.499 2.600 . 0 0 "[ . 1 . 2]" 1
828 2 47 VAL H 2 47 VAL HB 2.579 . 3.410 2.551 2.500 2.603 . 0 0 "[ . 1 . 2]" 1
829 1 55 ARG HA 1 56 PHE H 2.980 . 4.090 3.533 3.498 3.568 . 0 0 "[ . 1 . 2]" 1
830 2 55 ARG HA 2 56 PHE H 2.980 . 4.090 3.533 3.497 3.567 . 0 0 "[ . 1 . 2]" 1
831 1 56 PHE H 1 56 PHE HB3 3.032 . 4.181 3.546 2.828 3.659 . 0 0 "[ . 1 . 2]" 1
832 2 56 PHE H 2 56 PHE HB3 3.032 . 4.181 3.546 2.830 3.660 . 0 0 "[ . 1 . 2]" 1
833 1 56 PHE H 2 49 ALA MB 2.903 . 3.956 3.662 3.479 3.942 . 0 0 "[ . 1 . 2]" 1
834 1 49 ALA MB 2 56 PHE H 2.903 . 3.956 3.662 3.500 3.949 . 0 0 "[ . 1 . 2]" 1
835 1 56 PHE H 1 57 THR MG 2.953 . 4.043 3.686 3.452 4.048 0.005 9 0 "[ . 1 . 2]" 1
836 2 56 PHE H 2 57 THR MG 2.953 . 4.043 3.685 3.450 4.041 . 0 0 "[ . 1 . 2]" 1
837 1 52 ALA HA 1 53 PHE H 2.851 . 3.867 3.524 3.502 3.534 . 0 0 "[ . 1 . 2]" 1
838 2 52 ALA HA 2 53 PHE H 2.851 . 3.867 3.524 3.501 3.534 . 0 0 "[ . 1 . 2]" 1
839 1 53 PHE H 1 53 PHE QB 2.992 . 4.111 2.225 2.201 2.240 . 0 0 "[ . 1 . 2]" 1
840 2 53 PHE H 2 53 PHE QB 2.992 . 4.111 2.225 2.203 2.240 . 0 0 "[ . 1 . 2]" 1
841 1 53 PHE H 1 55 ARG HB2 3.616 . 5.250 4.969 4.669 5.464 0.214 12 0 "[ . 1 . 2]" 1
842 2 53 PHE H 2 55 ARG HB2 3.616 . 5.250 4.970 4.673 5.463 0.213 12 0 "[ . 1 . 2]" 1
843 1 52 ALA MB 1 53 PHE H 2.891 . 3.936 2.491 2.417 2.601 . 0 0 "[ . 1 . 2]" 1
844 2 52 ALA MB 2 53 PHE H 2.891 . 3.936 2.491 2.415 2.602 . 0 0 "[ . 1 . 2]" 1
845 1 43 PRO HA 1 45 ARG H 2.918 . 6.000 4.584 4.349 4.921 . 0 0 "[ . 1 . 2]" 1
846 2 43 PRO HA 2 45 ARG H 2.918 . 6.000 4.585 4.345 4.928 . 0 0 "[ . 1 . 2]" 1
847 1 69 TRP H 1 69 TRP HA 2.964 . 3.972 2.775 2.743 2.793 . 0 0 "[ . 1 . 2]" 1
848 2 69 TRP H 2 69 TRP HA 2.964 . 3.972 2.776 2.743 2.792 . 0 0 "[ . 1 . 2]" 1
849 1 65 LEU HA 1 69 TRP H 3.324 . 4.705 4.092 3.937 4.310 . 0 0 "[ . 1 . 2]" 1
850 2 65 LEU HA 2 69 TRP H 3.324 . 4.705 4.094 3.943 4.309 . 0 0 "[ . 1 . 2]" 1
851 1 69 TRP H 1 71 SER QB 3.357 . 6.000 4.587 4.401 4.914 . 0 0 "[ . 1 . 2]" 1
852 2 69 TRP H 2 71 SER QB 3.357 . 6.000 4.588 4.397 4.907 . 0 0 "[ . 1 . 2]" 1
853 1 66 ILE HA 1 69 TRP H 2.770 . 3.729 3.330 3.167 3.458 . 0 0 "[ . 1 . 2]" 1
854 2 66 ILE HA 2 69 TRP H 2.770 . 3.729 3.330 3.168 3.455 . 0 0 "[ . 1 . 2]" 1
855 1 69 TRP H 1 69 TRP HB3 2.997 . 4.120 2.509 2.206 2.632 . 0 0 "[ . 1 . 2]" 1
856 2 69 TRP H 2 69 TRP HB3 2.997 . 4.120 2.507 2.208 2.632 . 0 0 "[ . 1 . 2]" 1
857 1 69 TRP H 1 72 VAL MG2 3.351 . 4.755 4.360 4.092 4.777 0.022 13 0 "[ . 1 . 2]" 1
858 2 69 TRP H 2 72 VAL MG2 3.351 . 4.755 4.360 4.091 4.775 0.020 13 0 "[ . 1 . 2]" 1
859 1 66 ILE MD 1 69 TRP H 3.090 . 6.000 4.851 4.672 4.985 . 0 0 "[ . 1 . 2]" 1
860 2 66 ILE MD 2 69 TRP H 3.090 . 6.000 4.851 4.677 4.986 . 0 0 "[ . 1 . 2]" 1
861 1 69 TRP HA 1 70 GLY H 3.407 . 4.845 3.559 3.539 3.572 . 0 0 "[ . 1 . 2]" 1
862 2 69 TRP HA 2 70 GLY H 3.407 . 4.845 3.559 3.539 3.571 . 0 0 "[ . 1 . 2]" 1
863 1 38 LEU QD 1 40 GLY H 2.887 . 6.000 5.037 4.603 5.733 . 0 0 "[ . 1 . 2]" 1
864 2 38 LEU QD 2 40 GLY H 2.887 . 6.000 5.038 4.605 5.734 . 0 0 "[ . 1 . 2]" 1
865 1 79 GLU H 1 79 GLU HA 2.611 . 3.463 2.830 2.788 2.857 . 0 0 "[ . 1 . 2]" 1
866 2 79 GLU H 2 79 GLU HA 2.611 . 3.463 2.829 2.784 2.852 . 0 0 "[ . 1 . 2]" 1
867 1 90 ALA HA 1 91 MET H 3.202 . 4.042 3.549 3.518 3.584 . 0 0 "[ . 1 . 2]" 1
868 2 90 ALA HA 2 91 MET H 3.202 . 4.042 3.549 3.516 3.584 . 0 0 "[ . 1 . 2]" 1
869 1 38 LEU HA 1 39 LEU H 3.137 . 4.367 3.514 3.452 3.555 . 0 0 "[ . 1 . 2]" 1
870 2 38 LEU HA 2 39 LEU H 3.137 . 4.367 3.515 3.454 3.559 . 0 0 "[ . 1 . 2]" 1
871 1 44 ILE HA 1 47 VAL H 3.106 . 4.312 3.206 2.994 3.436 . 0 0 "[ . 1 . 2]" 1
872 2 44 ILE HA 2 47 VAL H 3.106 . 4.312 3.206 2.988 3.439 . 0 0 "[ . 1 . 2]" 1
873 1 71 SER H 1 71 SER HA 2.691 . 3.596 2.910 2.843 2.947 . 0 0 "[ . 1 . 2]" 1
874 2 71 SER H 2 71 SER HA 2.691 . 3.596 2.910 2.846 2.947 . 0 0 "[ . 1 . 2]" 1
875 1 84 PHE H 1 85 LYS H 3.555 . 5.134 2.759 2.645 2.845 . 0 0 "[ . 1 . 2]" 1
876 2 84 PHE H 2 85 LYS H 3.555 . 5.134 2.757 2.642 2.844 . 0 0 "[ . 1 . 2]" 1
877 1 47 VAL MG1 1 69 TRP HE1 2.665 . 6.000 5.122 4.766 5.840 . 0 0 "[ . 1 . 2]" 1
878 2 47 VAL MG1 2 69 TRP HE1 2.665 . 6.000 5.122 4.765 5.842 . 0 0 "[ . 1 . 2]" 1
879 1 95 ILE H 1 97 ALA H 3.483 . 5.000 3.914 3.721 4.019 . 0 0 "[ . 1 . 2]" 1
880 2 95 ILE H 2 97 ALA H 3.483 . 5.000 3.914 3.720 4.014 . 0 0 "[ . 1 . 2]" 1
881 1 65 LEU HA 1 68 ARG H 3.050 . 4.213 3.407 3.254 3.641 . 0 0 "[ . 1 . 2]" 1
882 2 65 LEU HA 2 68 ARG H 3.050 . 4.213 3.407 3.255 3.642 . 0 0 "[ . 1 . 2]" 1
883 1 64 GLY HA3 1 68 ARG H 3.037 . 6.000 5.243 5.125 5.313 . 0 0 "[ . 1 . 2]" 1
884 2 64 GLY HA3 2 68 ARG H 3.037 . 6.000 5.243 5.125 5.310 . 0 0 "[ . 1 . 2]" 1
885 1 62 SER HA 1 66 ILE H 2.473 . 6.000 5.336 5.156 5.429 . 0 0 "[ . 1 . 2]" 1
886 2 62 SER HA 2 66 ILE H 2.473 . 6.000 5.336 5.155 5.430 . 0 0 "[ . 1 . 2]" 1
887 1 48 LEU HA 1 49 ALA H 3.433 . 4.906 3.513 3.481 3.530 . 0 0 "[ . 1 . 2]" 1
888 2 48 LEU HA 2 49 ALA H 3.433 . 4.906 3.513 3.483 3.532 . 0 0 "[ . 1 . 2]" 1
889 1 51 LEU HA 1 54 LEU H 3.165 . 4.417 3.543 3.290 3.784 . 0 0 "[ . 1 . 2]" 1
890 2 51 LEU HA 2 54 LEU H 3.165 . 4.417 3.542 3.286 3.789 . 0 0 "[ . 1 . 2]" 1
891 1 85 LYS HA 1 89 ALA H 2.698 . 6.000 4.071 3.948 4.199 . 0 0 "[ . 1 . 2]" 1
892 2 85 LYS HA 2 89 ALA H 2.698 . 6.000 4.071 3.955 4.205 . 0 0 "[ . 1 . 2]" 1
893 1 55 ARG HB3 1 56 PHE H 2.792 . 3.766 3.393 2.424 3.768 0.002 16 0 "[ . 1 . 2]" 1
894 2 55 ARG HB3 2 56 PHE H 2.792 . 3.766 3.392 2.421 3.769 0.003 16 0 "[ . 1 . 2]" 1
895 1 49 ALA H 1 80 ILE MG 3.692 . 5.396 4.420 3.931 4.774 . 0 0 "[ . 1 . 2]" 1
896 2 49 ALA H 2 80 ILE MG 3.692 . 5.396 4.419 3.930 4.773 . 0 0 "[ . 1 . 2]" 1
897 1 77 ALA H 1 78 MET HG3 3.595 . 5.211 4.734 4.236 5.757 0.546 4 2 "[ +. 1 . - 2]" 1
898 2 77 ALA H 2 78 MET HG3 3.595 . 5.211 4.734 4.238 5.749 0.538 4 2 "[ +. 1 . - 2]" 1
899 1 41 HIS HB2 1 42 GLY H 3.817 . 5.638 4.403 3.042 4.652 . 0 0 "[ . 1 . 2]" 1
900 2 41 HIS HB2 2 42 GLY H 3.817 . 5.638 4.401 3.045 4.649 . 0 0 "[ . 1 . 2]" 1
901 1 48 LEU H 1 49 ALA H 3.586 . 5.193 2.612 2.508 2.699 . 0 0 "[ . 1 . 2]" 1
902 2 48 LEU H 2 49 ALA H 3.586 . 5.193 2.613 2.506 2.701 . 0 0 "[ . 1 . 2]" 1
903 1 49 ALA H 2 56 PHE HB2 3.931 . 5.862 5.023 4.526 5.924 0.062 9 0 "[ . 1 . 2]" 1
904 1 56 PHE HB2 2 49 ALA H 3.931 . 5.862 5.021 4.539 5.937 0.075 9 0 "[ . 1 . 2]" 1
905 1 55 ARG H 1 57 THR H 3.722 . 5.454 3.566 3.215 3.860 . 0 0 "[ . 1 . 2]" 1
906 2 55 ARG H 2 57 THR H 3.722 . 5.454 3.566 3.212 3.857 . 0 0 "[ . 1 . 2]" 1
907 1 67 ASN HA 1 68 ARG H 3.173 . 4.431 3.542 3.506 3.557 . 0 0 "[ . 1 . 2]" 1
908 2 67 ASN HA 2 68 ARG H 3.173 . 4.431 3.542 3.508 3.555 . 0 0 "[ . 1 . 2]" 1
909 1 79 GLU H 1 80 ILE MG 3.868 . 6.000 5.855 5.778 5.956 . 0 0 "[ . 1 . 2]" 1
910 2 79 GLU H 2 80 ILE MG 3.868 . 6.000 5.856 5.784 5.958 . 0 0 "[ . 1 . 2]" 1
911 1 89 ALA H 1 91 MET H 3.312 . 4.683 4.177 3.974 4.365 . 0 0 "[ . 1 . 2]" 1
912 2 89 ALA H 2 91 MET H 3.312 . 4.683 4.175 3.982 4.360 . 0 0 "[ . 1 . 2]" 1
913 1 91 MET H 1 94 ILE HB 2.885 . 6.000 5.543 5.335 5.805 . 0 0 "[ . 1 . 2]" 1
914 2 91 MET H 2 94 ILE HB 2.885 . 6.000 5.544 5.329 5.810 . 0 0 "[ . 1 . 2]" 1
915 1 94 ILE HA 1 96 ASN H 3.864 . 5.730 4.260 4.081 4.429 . 0 0 "[ . 1 . 2]" 1
916 2 94 ILE HA 2 96 ASN H 3.864 . 5.730 4.260 4.073 4.431 . 0 0 "[ . 1 . 2]" 1
917 1 81 ILE MG 1 82 LYS H 2.641 . 3.513 3.432 3.323 3.500 . 0 0 "[ . 1 . 2]" 1
918 2 81 ILE MG 2 82 LYS H 2.641 . 3.513 3.435 3.324 3.499 . 0 0 "[ . 1 . 2]" 1
919 1 76 GLU QG 1 77 ALA H 2.942 . 4.024 3.707 3.485 3.856 . 0 0 "[ . 1 . 2]" 1
920 2 76 GLU QG 2 77 ALA H 2.942 . 4.024 3.706 3.490 3.849 . 0 0 "[ . 1 . 2]" 1
921 1 81 ILE HB 1 82 LYS H 2.361 . 3.058 2.729 2.607 2.801 . 0 0 "[ . 1 . 2]" 1
922 2 81 ILE HB 2 82 LYS H 2.361 . 3.058 2.732 2.611 2.809 . 0 0 "[ . 1 . 2]" 1
923 1 35 ALA HA 1 35 ALA MB 2.180 . 2.774 2.128 2.125 2.131 . 0 0 "[ . 1 . 2]" 1
924 2 35 ALA HA 2 35 ALA MB 2.180 . 2.774 2.128 2.125 2.130 . 0 0 "[ . 1 . 2]" 1
925 1 35 ALA HA 1 36 GLY H 3.159 . 4.407 2.311 2.137 3.567 . 0 0 "[ . 1 . 2]" 1
926 2 35 ALA HA 2 36 GLY H 3.159 . 4.407 2.311 2.138 3.565 . 0 0 "[ . 1 . 2]" 1
927 1 77 ALA H 1 77 ALA MB 2.455 . 3.209 2.233 2.224 2.248 . 0 0 "[ . 1 . 2]" 1
928 2 77 ALA H 2 77 ALA MB 2.455 . 3.209 2.233 2.224 2.248 . 0 0 "[ . 1 . 2]" 1
929 1 77 ALA MB 2 92 LEU HA 2.674 . 3.568 3.458 3.195 3.653 0.085 6 0 "[ . 1 . 2]" 1
930 1 92 LEU HA 2 77 ALA MB 2.674 . 3.568 3.457 3.169 3.669 0.101 6 0 "[ . 1 . 2]" 1
931 1 35 ALA MB 1 37 LEU HA 2.746 . 6.000 5.366 4.987 5.670 . 0 0 "[ . 1 . 2]" 1
932 2 35 ALA MB 2 37 LEU HA 2.746 . 6.000 5.366 4.995 5.671 . 0 0 "[ . 1 . 2]" 1
933 1 77 ALA MB 2 95 ILE HB 2.623 . 3.483 3.246 3.064 3.463 . 0 0 "[ . 1 . 2]" 1
934 1 95 ILE HB 2 77 ALA MB 2.623 . 3.483 3.246 3.075 3.467 . 0 0 "[ . 1 . 2]" 1
935 1 76 GLU HB2 1 77 ALA MB 2.574 . 6.000 5.281 5.114 5.553 . 0 0 "[ . 1 . 2]" 1
936 2 76 GLU HB2 2 77 ALA MB 2.574 . 6.000 5.282 5.113 5.554 . 0 0 "[ . 1 . 2]" 1
937 1 48 LEU QD 1 77 ALA MB 2.199 . 2.804 2.414 2.094 2.848 0.044 9 0 "[ . 1 . 2]" 1
938 2 48 LEU QD 2 77 ALA MB 2.199 . 2.804 2.415 2.094 2.849 0.045 9 0 "[ . 1 . 2]" 1
939 1 36 GLY H 1 36 GLY HA2 3.000 . 4.125 2.778 2.321 2.832 . 0 0 "[ . 1 . 2]" 1
940 2 36 GLY H 2 36 GLY HA2 3.000 . 4.125 2.778 2.319 2.832 . 0 0 "[ . 1 . 2]" 1
941 1 39 LEU HA 1 39 LEU QD 2.688 . 3.001 1.905 1.872 1.934 . 0 0 "[ . 1 . 2]" 1
942 2 39 LEU HA 2 39 LEU QD 2.688 . 3.001 1.903 1.872 1.938 . 0 0 "[ . 1 . 2]" 1
943 1 38 LEU HA 1 38 LEU QD 2.452 . 3.204 2.154 1.904 2.995 . 0 0 "[ . 1 . 2]" 1
944 2 38 LEU HA 2 38 LEU QD 2.452 . 3.204 2.154 1.902 2.994 . 0 0 "[ . 1 . 2]" 1
945 1 38 LEU H 1 39 LEU QD 2.560 . 3.379 3.387 3.336 3.476 0.097 7 0 "[ . 1 . 2]" 1
946 2 38 LEU H 2 39 LEU QD 2.560 . 3.379 3.388 3.337 3.482 0.103 7 0 "[ . 1 . 2]" 1
947 1 37 LEU QD 2 59 ILE H 3.226 . 4.527 4.286 3.298 4.633 0.106 20 0 "[ . 1 . 2]" 1
948 1 59 ILE H 2 37 LEU QD 3.226 . 4.527 4.285 3.289 4.625 0.098 20 0 "[ . 1 . 2]" 1
949 1 37 LEU HA 1 37 LEU HG 2.856 . 3.876 2.959 2.404 3.718 . 0 0 "[ . 1 . 2]" 1
950 2 37 LEU HA 2 37 LEU HG 2.856 . 3.876 2.958 2.403 3.718 . 0 0 "[ . 1 . 2]" 1
951 1 54 LEU HG 1 65 LEU HG 2.242 . 6.000 4.563 4.195 5.126 . 0 0 "[ . 1 . 2]" 1
952 2 54 LEU HG 2 65 LEU HG 2.242 . 6.000 4.562 4.191 5.126 . 0 0 "[ . 1 . 2]" 1
953 1 43 PRO QG 1 45 ARG QD 2.725 . 6.000 4.715 3.339 5.847 . 0 0 "[ . 1 . 2]" 1
954 2 43 PRO QG 2 45 ARG QD 2.725 . 6.000 4.715 3.336 5.851 . 0 0 "[ . 1 . 2]" 1
955 1 63 LEU HA 1 63 LEU MD2 2.040 . 2.560 2.091 1.957 2.621 0.061 4 0 "[ . 1 . 2]" 1
956 2 63 LEU HA 2 63 LEU MD2 2.040 . 2.560 2.091 1.960 2.624 0.064 4 0 "[ . 1 . 2]" 1
957 1 39 LEU QB 1 39 LEU QD 2.221 . 2.838 2.058 2.044 2.068 . 0 0 "[ . 1 . 2]" 1
958 2 39 LEU QB 2 39 LEU QD 2.221 . 2.838 2.058 2.043 2.069 . 0 0 "[ . 1 . 2]" 1
959 1 39 LEU HA 1 40 GLY H 3.220 . 4.516 3.395 3.248 3.569 . 0 0 "[ . 1 . 2]" 1
960 2 39 LEU HA 2 40 GLY H 3.220 . 4.516 3.396 3.249 3.571 . 0 0 "[ . 1 . 2]" 1
961 1 60 LYS HA 1 60 LYS QB 2.182 . 2.777 2.366 2.325 2.419 . 0 0 "[ . 1 . 2]" 1
962 2 60 LYS HA 2 60 LYS QB 2.182 . 2.777 2.366 2.325 2.422 . 0 0 "[ . 1 . 2]" 1
963 1 45 ARG HB2 1 45 ARG HD2 3.022 . 4.163 2.958 2.402 3.678 . 0 0 "[ . 1 . 2]" 1
964 2 45 ARG HB2 2 45 ARG HD2 3.022 . 4.163 2.958 2.403 3.680 . 0 0 "[ . 1 . 2]" 1
965 1 45 ARG HB2 1 46 MET HA 2.577 . 6.000 4.361 4.161 4.488 . 0 0 "[ . 1 . 2]" 1
966 2 45 ARG HB2 2 46 MET HA 2.577 . 6.000 4.361 4.160 4.489 . 0 0 "[ . 1 . 2]" 1
967 1 74 LYS HD2 2 96 ASN HA 2.912 . 3.972 3.342 1.967 4.648 0.676 7 1 "[ . + 1 . 2]" 1
968 1 96 ASN HA 2 74 LYS HD2 2.912 . 3.972 3.340 1.971 4.635 0.663 7 1 "[ . + 1 . 2]" 1
969 1 44 ILE HA 1 44 ILE HG12 2.468 . 6.000 3.682 3.559 3.794 . 0 0 "[ . 1 . 2]" 1
970 2 44 ILE HA 2 44 ILE HG12 2.468 . 6.000 3.682 3.559 3.794 . 0 0 "[ . 1 . 2]" 1
971 1 93 ARG HA 1 93 ARG QG 2.591 . 3.430 2.430 2.338 2.780 . 0 0 "[ . 1 . 2]" 1
972 2 93 ARG HA 2 93 ARG QG 2.591 . 3.430 2.430 2.336 2.779 . 0 0 "[ . 1 . 2]" 1
973 1 98 ARG QG 2 70 GLY HA2 2.963 . 4.061 2.908 1.913 4.590 0.529 9 1 "[ . +1 . 2]" 1
974 1 70 GLY HA2 2 98 ARG QG 2.963 . 4.061 2.909 1.923 4.619 0.558 9 1 "[ . +1 . 2]" 1
975 1 102 LYS H 1 103 ARG QG 3.317 . 6.000 4.960 3.032 6.100 0.100 18 0 "[ . 1 . 2]" 1
976 2 102 LYS H 2 103 ARG QG 3.317 . 6.000 4.960 3.036 6.100 0.100 18 0 "[ . 1 . 2]" 1
977 1 45 ARG HB2 1 46 MET H 2.543 . 3.352 2.664 2.397 3.522 0.170 19 0 "[ . 1 . 2]" 1
978 2 45 ARG HB2 2 46 MET H 2.543 . 3.352 2.664 2.398 3.525 0.173 19 0 "[ . 1 . 2]" 1
979 1 41 HIS HA 1 41 HIS HB3 2.823 . 3.819 2.796 2.402 3.032 . 0 0 "[ . 1 . 2]" 1
980 2 41 HIS HA 2 41 HIS HB3 2.823 . 3.819 2.796 2.400 3.033 . 0 0 "[ . 1 . 2]" 1
981 1 41 HIS HA 1 41 HIS HB2 2.901 . 3.953 2.705 2.430 3.033 . 0 0 "[ . 1 . 2]" 1
982 2 41 HIS HA 2 41 HIS HB2 2.901 . 3.953 2.705 2.430 3.032 . 0 0 "[ . 1 . 2]" 1
983 1 36 GLY HA2 1 41 HIS HB2 3.462 . 4.960 4.026 2.184 5.120 0.160 8 0 "[ . 1 . 2]" 1
984 2 36 GLY HA2 2 41 HIS HB2 3.462 . 4.960 4.027 2.191 5.125 0.165 8 0 "[ . 1 . 2]" 1
985 1 39 LEU QD 1 41 HIS HB3 3.761 . 6.000 5.261 4.336 6.115 0.115 2 0 "[ . 1 . 2]" 1
986 2 39 LEU QD 2 41 HIS HB3 3.761 . 6.000 5.262 4.334 6.113 0.113 2 0 "[ . 1 . 2]" 1
987 1 43 PRO HA 1 44 ILE HG12 2.540 . 6.000 4.388 4.008 4.644 . 0 0 "[ . 1 . 2]" 1
988 2 43 PRO HA 2 44 ILE HG12 2.540 . 6.000 4.389 4.006 4.641 . 0 0 "[ . 1 . 2]" 1
989 1 43 PRO HA 1 47 VAL MG2 2.527 . 3.898 3.779 3.553 3.943 0.045 20 0 "[ . 1 . 2]" 1
990 2 43 PRO HA 2 47 VAL MG2 2.527 . 3.898 3.779 3.552 3.945 0.047 20 0 "[ . 1 . 2]" 1
991 1 43 PRO HA 1 47 VAL H 3.173 . 6.000 5.069 4.902 5.229 . 0 0 "[ . 1 . 2]" 1
992 2 43 PRO HA 2 47 VAL H 3.173 . 6.000 5.069 4.901 5.231 . 0 0 "[ . 1 . 2]" 1
993 1 46 MET HA 1 48 LEU H 2.690 . 6.000 4.377 4.156 4.515 . 0 0 "[ . 1 . 2]" 1
994 2 46 MET HA 2 48 LEU H 2.690 . 6.000 4.377 4.156 4.516 . 0 0 "[ . 1 . 2]" 1
995 1 50 ILE HA 1 53 PHE H 2.620 . 3.478 3.338 3.187 3.461 . 0 0 "[ . 1 . 2]" 1
996 2 50 ILE HA 2 53 PHE H 2.620 . 3.478 3.338 3.188 3.465 . 0 0 "[ . 1 . 2]" 1
997 1 50 ILE HA 1 53 PHE QB 2.414 . 3.142 2.235 2.017 2.421 . 0 0 "[ . 1 . 2]" 1
998 2 50 ILE HA 2 53 PHE QB 2.414 . 3.142 2.234 2.015 2.420 . 0 0 "[ . 1 . 2]" 1
999 1 75 LYS HA 1 75 LYS HB2 2.090 . 2.636 2.440 2.378 2.549 . 0 0 "[ . 1 . 2]" 1
1000 2 75 LYS HA 2 75 LYS HB2 2.090 . 2.636 2.440 2.379 2.548 . 0 0 "[ . 1 . 2]" 1
1001 1 75 LYS HA 1 75 LYS HD3 2.506 . 3.291 3.018 2.780 3.371 0.080 6 0 "[ . 1 . 2]" 1
1002 2 75 LYS HA 2 75 LYS HD3 2.506 . 3.291 3.018 2.775 3.370 0.079 2 0 "[ . 1 . 2]" 1
1003 1 75 LYS HA 2 92 LEU MD1 2.870 . 6.000 5.033 4.509 5.923 . 0 0 "[ . 1 . 2]" 1
1004 1 92 LEU MD1 2 75 LYS HA 2.870 . 6.000 5.033 4.513 5.919 . 0 0 "[ . 1 . 2]" 1
1005 1 44 ILE HB 1 72 VAL HB 3.516 . 5.061 4.293 3.869 4.671 . 0 0 "[ . 1 . 2]" 1
1006 2 44 ILE HB 2 72 VAL HB 3.516 . 5.061 4.293 3.869 4.671 . 0 0 "[ . 1 . 2]" 1
1007 1 44 ILE MD 1 77 ALA H 2.884 . 6.000 4.843 4.005 5.876 . 0 0 "[ . 1 . 2]" 1
1008 2 44 ILE MD 2 77 ALA H 2.884 . 6.000 4.843 4.003 5.874 . 0 0 "[ . 1 . 2]" 1
1009 1 44 ILE MD 1 72 VAL HA 2.512 . 3.301 3.143 2.671 3.365 0.064 8 0 "[ . 1 . 2]" 1
1010 2 44 ILE MD 2 72 VAL HA 2.512 . 3.301 3.144 2.670 3.363 0.062 8 0 "[ . 1 . 2]" 1
1011 1 44 ILE MD 1 76 GLU QG 2.620 . 3.478 2.002 1.823 3.428 0.076 18 0 "[ . 1 . 2]" 1
1012 2 44 ILE MD 2 76 GLU QG 2.620 . 3.478 2.003 1.829 3.430 0.070 18 0 "[ . 1 . 2]" 1
1013 1 44 ILE MD 1 44 ILE HG12 2.322 . 2.996 2.116 2.109 2.120 . 0 0 "[ . 1 . 2]" 1
1014 2 44 ILE MD 2 44 ILE HG12 2.322 . 2.996 2.117 2.111 2.120 . 0 0 "[ . 1 . 2]" 1
1015 1 66 ILE HA 1 66 ILE MD 2.614 . 3.450 2.042 2.013 2.071 . 0 0 "[ . 1 . 2]" 1
1016 2 66 ILE HA 2 66 ILE MD 2.614 . 3.450 2.042 2.017 2.071 . 0 0 "[ . 1 . 2]" 1
1017 1 96 ASN HA 1 98 ARG H 2.931 . 4.005 3.880 3.290 4.183 0.178 13 0 "[ . 1 . 2]" 1
1018 2 96 ASN HA 2 98 ARG H 2.931 . 4.005 3.883 3.294 4.183 0.178 13 0 "[ . 1 . 2]" 1
1019 1 45 ARG HA 1 46 MET HA 2.546 . 6.000 4.727 4.669 4.812 . 0 0 "[ . 1 . 2]" 1
1020 2 45 ARG HA 2 46 MET HA 2.546 . 6.000 4.727 4.668 4.811 . 0 0 "[ . 1 . 2]" 1
1021 1 74 LYS QB 2 96 ASN HA 2.242 . 2.870 2.750 2.112 2.974 0.104 19 0 "[ . 1 . 2]" 1
1022 1 96 ASN HA 2 74 LYS QB 2.242 . 2.870 2.752 2.128 2.964 0.094 12 0 "[ . 1 . 2]" 1
1023 1 46 MET HA 2 56 PHE HA 3.090 . 6.000 5.796 5.229 6.069 0.069 6 0 "[ . 1 . 2]" 1
1024 1 56 PHE HA 2 46 MET HA 3.090 . 6.000 5.795 5.255 6.069 0.069 6 0 "[ . 1 . 2]" 1
1025 1 46 MET HA 2 57 THR MG 2.375 . 3.080 2.700 2.245 3.035 . 0 0 "[ . 1 . 2]" 1
1026 1 57 THR MG 2 46 MET HA 2.375 . 3.080 2.702 2.248 3.041 . 0 0 "[ . 1 . 2]" 1
1027 1 78 MET HB2 2 92 LEU QD 2.299 . 6.000 3.663 3.503 3.877 . 0 0 "[ . 1 . 2]" 1
1028 1 92 LEU QD 2 78 MET HB2 2.299 . 6.000 3.664 3.511 3.876 . 0 0 "[ . 1 . 2]" 1
1029 1 85 LYS HB2 1 89 ALA H 2.882 . 6.000 5.699 5.601 5.847 . 0 0 "[ . 1 . 2]" 1
1030 2 85 LYS HB2 2 89 ALA H 2.882 . 6.000 5.700 5.609 5.852 . 0 0 "[ . 1 . 2]" 1
1031 1 85 LYS HB2 1 86 LYS H 3.396 . 4.838 2.733 2.537 2.831 . 0 0 "[ . 1 . 2]" 1
1032 2 85 LYS HB2 2 86 LYS H 3.396 . 4.838 2.733 2.543 2.836 . 0 0 "[ . 1 . 2]" 1
1033 1 46 MET H 1 46 MET HB2 2.772 . 3.732 2.343 2.187 2.568 . 0 0 "[ . 1 . 2]" 1
1034 2 46 MET H 2 46 MET HB2 2.772 . 3.732 2.343 2.185 2.563 . 0 0 "[ . 1 . 2]" 1
1035 1 46 MET H 1 46 MET ME 2.865 . 6.000 4.402 3.782 4.804 . 0 0 "[ . 1 . 2]" 1
1036 2 46 MET H 2 46 MET ME 2.865 . 6.000 4.403 3.778 4.823 . 0 0 "[ . 1 . 2]" 1
1037 1 45 ARG HB2 1 46 MET ME 2.296 . 6.000 5.036 3.302 6.139 0.139 4 0 "[ . 1 . 2]" 1
1038 2 45 ARG HB2 2 46 MET ME 2.296 . 6.000 5.036 3.301 6.143 0.143 8 0 "[ . 1 . 2]" 1
1039 1 43 PRO HG2 1 46 MET ME 2.481 . 6.000 3.997 3.058 5.332 . 0 0 "[ . 1 . 2]" 1
1040 2 43 PRO HG2 2 46 MET ME 2.481 . 6.000 3.997 3.056 5.333 . 0 0 "[ . 1 . 2]" 1
1041 1 46 MET ME 1 50 ILE QG 2.750 . 6.000 5.789 4.831 6.117 0.117 11 0 "[ . 1 . 2]" 1
1042 2 46 MET ME 2 50 ILE QG 2.750 . 6.000 5.790 4.834 6.113 0.113 11 0 "[ . 1 . 2]" 1
1043 1 50 ILE HB 1 50 ILE MG 2.149 . 2.726 2.128 2.122 2.131 . 0 0 "[ . 1 . 2]" 1
1044 2 50 ILE HB 2 50 ILE MG 2.149 . 2.726 2.128 2.121 2.131 . 0 0 "[ . 1 . 2]" 1
1045 1 47 VAL HA 1 68 ARG QD 3.471 . 4.977 4.701 4.453 4.879 . 0 0 "[ . 1 . 2]" 1
1046 2 47 VAL HA 2 68 ARG QD 3.471 . 4.977 4.700 4.450 4.883 . 0 0 "[ . 1 . 2]" 1
1047 1 88 LEU QB 2 85 LYS QG 2.605 . 3.453 3.207 3.024 3.458 0.005 9 0 "[ . 1 . 2]" 1
1048 1 85 LYS QG 2 88 LEU QB 2.605 . 3.453 3.207 3.026 3.461 0.008 9 0 "[ . 1 . 2]" 1
1049 1 49 ALA HA 1 52 ALA MB 2.652 . 3.524 3.051 2.822 3.386 . 0 0 "[ . 1 . 2]" 1
1050 2 49 ALA HA 2 52 ALA MB 2.652 . 3.524 3.051 2.822 3.386 . 0 0 "[ . 1 . 2]" 1
1051 1 49 ALA HA 1 49 ALA MB 2.370 . 3.072 2.126 2.123 2.132 . 0 0 "[ . 1 . 2]" 1
1052 2 49 ALA HA 2 49 ALA MB 2.370 . 3.072 2.127 2.123 2.131 . 0 0 "[ . 1 . 2]" 1
1053 1 49 ALA HA 2 57 THR MG 3.170 . 4.426 4.400 4.282 4.506 0.080 20 0 "[ . 1 . 2]" 1
1054 1 57 THR MG 2 49 ALA HA 3.170 . 4.426 4.401 4.298 4.489 0.063 20 0 "[ . 1 . 2]" 1
1055 1 49 ALA HA 2 56 PHE HB2 3.476 . 4.987 3.945 3.497 4.357 . 0 0 "[ . 1 . 2]" 1
1056 1 56 PHE HB2 2 49 ALA HA 3.476 . 4.987 3.944 3.498 4.359 . 0 0 "[ . 1 . 2]" 1
1057 1 49 ALA HA 2 56 PHE H 3.535 . 6.000 5.786 5.530 6.016 0.016 10 0 "[ . 1 . 2]" 1
1058 1 56 PHE H 2 49 ALA HA 3.535 . 6.000 5.786 5.512 6.016 0.016 10 0 "[ . 1 . 2]" 1
1059 1 49 ALA HA 1 50 ILE H 3.419 . 4.880 3.563 3.545 3.582 . 0 0 "[ . 1 . 2]" 1
1060 2 49 ALA HA 2 50 ILE H 3.419 . 4.880 3.563 3.545 3.582 . 0 0 "[ . 1 . 2]" 1
1061 1 89 ALA H 1 89 ALA HA 2.477 . 3.244 2.812 2.796 2.821 . 0 0 "[ . 1 . 2]" 1
1062 2 89 ALA H 2 89 ALA HA 2.477 . 3.244 2.812 2.796 2.821 . 0 0 "[ . 1 . 2]" 1
1063 1 47 VAL H 1 49 ALA MB 3.343 . 4.740 4.561 4.394 4.705 . 0 0 "[ . 1 . 2]" 1
1064 2 47 VAL H 2 49 ALA MB 3.343 . 4.740 4.562 4.393 4.707 . 0 0 "[ . 1 . 2]" 1
1065 1 49 ALA MB 2 56 PHE HA 3.244 . 4.560 4.309 4.187 4.473 . 0 0 "[ . 1 . 2]" 1
1066 1 56 PHE HA 2 49 ALA MB 3.244 . 4.560 4.308 4.166 4.478 . 0 0 "[ . 1 . 2]" 1
1067 1 49 ALA MB 2 53 PHE HA 3.508 . 5.046 2.636 2.367 3.245 . 0 0 "[ . 1 . 2]" 1
1068 1 53 PHE HA 2 49 ALA MB 3.508 . 5.046 2.636 2.363 3.246 . 0 0 "[ . 1 . 2]" 1
1069 1 49 ALA MB 2 56 PHE HB2 3.010 . 4.142 2.257 1.907 3.301 . 0 0 "[ . 1 . 2]" 1
1070 1 56 PHE HB2 2 49 ALA MB 3.010 . 4.142 2.256 1.916 3.312 . 0 0 "[ . 1 . 2]" 1
1071 1 46 MET QG 1 49 ALA MB 2.902 . 3.955 3.405 3.073 3.765 . 0 0 "[ . 1 . 2]" 1
1072 2 46 MET QG 2 49 ALA MB 2.902 . 3.955 3.404 3.071 3.767 . 0 0 "[ . 1 . 2]" 1
1073 1 46 MET HB2 1 49 ALA MB 2.971 . 6.000 4.577 4.180 4.902 . 0 0 "[ . 1 . 2]" 1
1074 2 46 MET HB2 2 49 ALA MB 2.971 . 6.000 4.577 4.179 4.902 . 0 0 "[ . 1 . 2]" 1
1075 1 49 ALA MB 2 57 THR MG 2.459 . 3.114 2.087 1.981 2.193 . 0 0 "[ . 1 . 2]" 1
1076 1 57 THR MG 2 49 ALA MB 2.459 . 3.114 2.087 1.991 2.196 . 0 0 "[ . 1 . 2]" 1
1077 1 49 ALA MB 1 80 ILE MG 3.407 . 4.858 4.436 3.994 4.680 . 0 0 "[ . 1 . 2]" 1
1078 2 49 ALA MB 2 80 ILE MG 3.407 . 4.858 4.436 3.995 4.681 . 0 0 "[ . 1 . 2]" 1
1079 1 49 ALA MB 1 50 ILE MD 3.711 . 5.433 4.635 4.208 5.347 . 0 0 "[ . 1 . 2]" 1
1080 2 49 ALA MB 2 50 ILE MD 3.711 . 5.433 4.635 4.207 5.347 . 0 0 "[ . 1 . 2]" 1
1081 1 59 ILE HA 1 59 ILE MG 2.219 . 2.835 2.442 2.284 3.157 0.322 15 0 "[ . 1 . 2]" 1
1082 2 59 ILE HA 2 59 ILE MG 2.219 . 2.835 2.442 2.281 3.155 0.320 15 0 "[ . 1 . 2]" 1
1083 1 93 ARG HA 1 93 ARG QD 2.971 . 4.075 3.993 3.132 4.173 0.098 15 0 "[ . 1 . 2]" 1
1084 2 93 ARG HA 2 93 ARG QD 2.971 . 4.075 3.992 3.127 4.169 0.094 15 0 "[ . 1 . 2]" 1
1085 1 43 PRO HA 1 44 ILE HA 2.921 . 6.000 4.213 4.143 4.292 . 0 0 "[ . 1 . 2]" 1
1086 2 43 PRO HA 2 44 ILE HA 2.921 . 6.000 4.213 4.145 4.292 . 0 0 "[ . 1 . 2]" 1
1087 1 50 ILE HB 1 50 ILE MD 2.801 . 3.782 2.428 2.397 2.448 . 0 0 "[ . 1 . 2]" 1
1088 2 50 ILE HB 2 50 ILE MD 2.801 . 3.782 2.428 2.394 2.446 . 0 0 "[ . 1 . 2]" 1
1089 1 50 ILE MD 1 50 ILE MG 2.537 . 3.341 1.931 1.906 1.956 . 0 0 "[ . 1 . 2]" 1
1090 2 50 ILE MD 2 50 ILE MG 2.537 . 3.341 1.931 1.907 1.955 . 0 0 "[ . 1 . 2]" 1
1091 1 50 ILE MD 2 57 THR MG 2.483 . 6.000 3.688 3.044 4.667 . 0 0 "[ . 1 . 2]" 1
1092 1 57 THR MG 2 50 ILE MD 2.483 . 6.000 3.686 3.047 4.673 . 0 0 "[ . 1 . 2]" 1
1093 1 50 ILE MD 1 51 LEU H 3.504 . 5.039 4.689 4.074 4.911 . 0 0 "[ . 1 . 2]" 1
1094 2 50 ILE MD 2 51 LEU H 3.504 . 5.039 4.688 4.076 4.913 . 0 0 "[ . 1 . 2]" 1
1095 1 55 ARG HA 1 55 ARG QD 2.837 . 3.843 2.041 1.895 2.166 . 0 0 "[ . 1 . 2]" 1
1096 2 55 ARG HA 2 55 ARG QD 2.837 . 3.843 2.041 1.893 2.164 . 0 0 "[ . 1 . 2]" 1
1097 1 55 ARG HA 1 55 ARG HG2 2.420 . 3.152 3.017 2.693 3.800 0.648 13 3 "[ * 1 -+ . 2]" 1
1098 2 55 ARG HA 2 55 ARG HG2 2.420 . 3.152 3.017 2.690 3.802 0.650 13 3 "[ * 1 -+ . 2]" 1
1099 1 51 LEU HA 1 54 LEU MD1 2.574 . 3.402 3.179 2.671 3.427 0.025 16 0 "[ . 1 . 2]" 1
1100 2 51 LEU HA 2 54 LEU MD1 2.574 . 3.402 3.178 2.674 3.426 0.024 16 0 "[ . 1 . 2]" 1
1101 1 51 LEU HA 1 51 LEU MD1 2.418 . 3.149 2.306 2.161 2.521 . 0 0 "[ . 1 . 2]" 1
1102 2 51 LEU HA 2 51 LEU MD1 2.418 . 3.149 2.306 2.159 2.521 . 0 0 "[ . 1 . 2]" 1
1103 1 79 GLU HA 1 79 GLU QG 2.393 . 3.109 2.512 2.338 3.023 . 0 0 "[ . 1 . 2]" 1
1104 2 79 GLU HA 2 79 GLU QG 2.393 . 3.109 2.515 2.338 3.023 . 0 0 "[ . 1 . 2]" 1
1105 1 52 ALA HA 1 55 ARG HA 3.230 . 6.000 5.044 4.799 5.434 . 0 0 "[ . 1 . 2]" 1
1106 2 52 ALA HA 2 55 ARG HA 3.230 . 6.000 5.045 4.802 5.432 . 0 0 "[ . 1 . 2]" 1
1107 1 88 LEU HB2 1 89 ALA H 2.767 . 3.724 2.552 2.441 2.679 . 0 0 "[ . 1 . 2]" 1
1108 2 88 LEU HB2 2 89 ALA H 2.767 . 3.724 2.552 2.441 2.675 . 0 0 "[ . 1 . 2]" 1
1109 1 51 LEU MD1 1 69 TRP HA 3.288 . 4.640 4.672 4.619 4.716 0.076 15 0 "[ . 1 . 2]" 1
1110 2 51 LEU MD1 2 69 TRP HA 3.288 . 4.640 4.672 4.617 4.717 0.077 1 0 "[ . 1 . 2]" 1
1111 1 51 LEU MD1 1 69 TRP HB2 3.134 . 3.938 3.199 2.795 3.652 . 0 0 "[ . 1 . 2]" 1
1112 2 51 LEU MD1 2 69 TRP HB2 3.134 . 3.938 3.199 2.793 3.656 . 0 0 "[ . 1 . 2]" 1
1113 1 51 LEU H 1 51 LEU MD1 3.133 . 4.360 4.054 3.843 4.154 . 0 0 "[ . 1 . 2]" 1
1114 2 51 LEU H 2 51 LEU MD1 3.133 . 4.360 4.054 3.841 4.154 . 0 0 "[ . 1 . 2]" 1
1115 1 51 LEU MD1 1 55 ARG H 3.657 . 5.329 5.164 4.757 5.365 0.036 11 0 "[ . 1 . 2]" 1
1116 2 51 LEU MD1 2 55 ARG H 3.657 . 5.329 5.164 4.757 5.362 0.033 11 0 "[ . 1 . 2]" 1
1117 1 51 LEU MD1 1 69 TRP HD1 3.229 . 4.533 3.427 2.923 3.775 . 0 0 "[ . 1 . 2]" 1
1118 2 51 LEU MD1 2 69 TRP HD1 3.229 . 4.533 3.426 2.922 3.776 . 0 0 "[ . 1 . 2]" 1
1119 1 51 LEU MD1 1 51 LEU HG 2.135 . 2.705 2.124 2.121 2.127 . 0 0 "[ . 1 . 2]" 1
1120 2 51 LEU MD1 2 51 LEU HG 2.135 . 2.705 2.124 2.121 2.127 . 0 0 "[ . 1 . 2]" 1
1121 1 51 LEU MD1 1 61 PRO HA 2.806 . 6.000 4.686 4.001 5.588 . 0 0 "[ . 1 . 2]" 1
1122 2 51 LEU MD1 2 61 PRO HA 2.806 . 6.000 4.686 4.002 5.588 . 0 0 "[ . 1 . 2]" 1
1123 1 51 LEU MD1 1 66 ILE HA 2.736 . 3.672 3.578 3.202 3.728 0.056 4 0 "[ . 1 . 2]" 1
1124 2 51 LEU MD1 2 66 ILE HA 2.736 . 3.672 3.578 3.198 3.727 0.055 4 0 "[ . 1 . 2]" 1
1125 1 51 LEU HB3 1 51 LEU MD1 2.297 . 6.000 3.155 3.109 3.171 . 0 0 "[ . 1 . 2]" 1
1126 2 51 LEU HB3 2 51 LEU MD1 2.297 . 6.000 3.154 3.108 3.171 . 0 0 "[ . 1 . 2]" 1
1127 1 51 LEU MD1 1 69 TRP HZ2 2.852 . 6.000 4.507 3.777 5.475 . 0 0 "[ . 1 . 2]" 1
1128 2 51 LEU MD1 2 69 TRP HZ2 2.852 . 6.000 4.507 3.775 5.476 . 0 0 "[ . 1 . 2]" 1
1129 1 52 ALA HA 1 55 ARG HB2 2.464 . 3.223 2.430 2.049 3.079 . 0 0 "[ . 1 . 2]" 1
1130 2 52 ALA HA 2 55 ARG HB2 2.464 . 3.223 2.430 2.050 3.080 . 0 0 "[ . 1 . 2]" 1
1131 1 52 ALA HA 1 52 ALA MB 2.286 . 2.939 2.127 2.124 2.131 . 0 0 "[ . 1 . 2]" 1
1132 2 52 ALA HA 2 52 ALA MB 2.286 . 2.939 2.127 2.125 2.131 . 0 0 "[ . 1 . 2]" 1
1133 1 52 ALA MB 1 56 PHE HB2 3.191 . 4.464 4.414 3.761 4.565 0.101 13 0 "[ . 1 . 2]" 1
1134 2 52 ALA MB 2 56 PHE HB2 3.191 . 4.464 4.413 3.766 4.563 0.099 13 0 "[ . 1 . 2]" 1
1135 1 52 ALA MB 1 57 THR H 3.034 . 6.000 6.053 5.878 6.128 0.128 15 0 "[ . 1 . 2]" 1
1136 2 52 ALA MB 2 57 THR H 3.034 . 6.000 6.054 5.881 6.124 0.124 15 0 "[ . 1 . 2]" 1
1137 1 96 ASN QB 2 74 LYS HD2 3.250 . 6.000 4.558 3.565 5.603 . 0 0 "[ . 1 . 2]" 1
1138 1 74 LYS HD2 2 96 ASN QB 3.250 . 6.000 4.558 3.575 5.609 . 0 0 "[ . 1 . 2]" 1
1139 1 50 ILE HG12 1 53 PHE QB 3.612 . 5.243 4.107 3.346 5.466 0.223 12 0 "[ . 1 . 2]" 1
1140 2 50 ILE HG12 2 53 PHE QB 3.612 . 5.243 4.106 3.345 5.464 0.221 12 0 "[ . 1 . 2]" 1
1141 1 53 PHE HA 1 53 PHE QB 2.553 . 3.368 2.334 2.299 2.351 . 0 0 "[ . 1 . 2]" 1
1142 2 53 PHE HA 2 53 PHE QB 2.553 . 3.368 2.334 2.300 2.350 . 0 0 "[ . 1 . 2]" 1
1143 1 54 LEU HA 1 55 ARG QD 3.156 . 6.000 5.781 4.629 6.206 0.206 13 0 "[ . 1 . 2]" 1
1144 2 54 LEU HA 2 55 ARG QD 3.156 . 6.000 5.781 4.630 6.205 0.205 13 0 "[ . 1 . 2]" 1
1145 1 51 LEU MD1 1 54 LEU HB2 3.049 . 4.211 3.942 3.531 4.247 0.036 20 0 "[ . 1 . 2]" 1
1146 2 51 LEU MD1 2 54 LEU HB2 3.049 . 4.211 3.942 3.531 4.250 0.039 20 0 "[ . 1 . 2]" 1
1147 1 75 LYS HG2 1 76 GLU H 2.980 . 4.090 4.431 4.169 4.788 0.698 8 1 "[ . + 1 . 2]" 1
1148 2 75 LYS HG2 2 76 GLU H 2.980 . 4.090 4.431 4.169 4.788 0.698 8 1 "[ . + 1 . 2]" 1
1149 1 74 LYS QG 1 77 ALA H 3.400 . 6.000 5.256 4.740 5.753 . 0 0 "[ . 1 . 2]" 1
1150 2 74 LYS QG 2 77 ALA H 3.400 . 6.000 5.255 4.740 5.753 . 0 0 "[ . 1 . 2]" 1
1151 1 85 LYS HD2 1 85 LYS HE3 2.474 . 3.239 2.445 2.414 2.491 . 0 0 "[ . 1 . 2]" 1
1152 2 85 LYS HD2 2 85 LYS HE3 2.474 . 3.239 2.446 2.411 2.490 . 0 0 "[ . 1 . 2]" 1
1153 1 75 LYS HE3 1 79 GLU QG 2.597 . 3.440 3.290 2.636 4.151 0.711 11 4 "[* - . 1+ * . 2]" 1
1154 2 75 LYS HE3 2 79 GLU QG 2.597 . 3.440 3.292 2.636 4.156 0.716 11 4 "[* - . 1+ * . 2]" 1
1155 1 55 ARG H 1 55 ARG QD 3.502 . 5.035 3.896 3.530 4.241 . 0 0 "[ . 1 . 2]" 1
1156 2 55 ARG H 2 55 ARG QD 3.502 . 5.035 3.895 3.531 4.239 . 0 0 "[ . 1 . 2]" 1
1157 1 85 LYS HE3 2 89 ALA H 3.247 . 4.565 4.023 3.887 4.186 . 0 0 "[ . 1 . 2]" 1
1158 1 89 ALA H 2 85 LYS HE3 3.247 . 4.565 4.021 3.875 4.187 . 0 0 "[ . 1 . 2]" 1
1159 1 55 ARG H 1 56 PHE HA 3.259 . 6.000 5.067 4.849 5.349 . 0 0 "[ . 1 . 2]" 1
1160 2 55 ARG H 2 56 PHE HA 3.259 . 6.000 5.067 4.847 5.350 . 0 0 "[ . 1 . 2]" 1
1161 1 56 PHE HA 1 56 PHE HB2 2.814 . 3.804 2.970 2.623 3.017 . 0 0 "[ . 1 . 2]" 1
1162 2 56 PHE HA 2 56 PHE HB2 2.814 . 3.804 2.970 2.625 3.017 . 0 0 "[ . 1 . 2]" 1
1163 1 55 ARG HB3 1 56 PHE HA 2.227 . 6.000 4.299 3.958 4.627 . 0 0 "[ . 1 . 2]" 1
1164 2 55 ARG HB3 2 56 PHE HA 2.227 . 6.000 4.299 3.965 4.621 . 0 0 "[ . 1 . 2]" 1
1165 1 57 THR H 1 57 THR HB 3.379 . 4.806 3.754 3.694 3.818 . 0 0 "[ . 1 . 2]" 1
1166 2 57 THR H 2 57 THR HB 3.379 . 4.806 3.754 3.696 3.820 . 0 0 "[ . 1 . 2]" 1
1167 1 57 THR HB 1 58 ALA MB 3.665 . 5.344 4.225 3.700 4.638 . 0 0 "[ . 1 . 2]" 1
1168 2 57 THR HB 2 58 ALA MB 3.665 . 5.344 4.225 3.693 4.635 . 0 0 "[ . 1 . 2]" 1
1169 1 57 THR HB 1 57 THR MG 2.322 . 2.996 2.135 2.132 2.139 . 0 0 "[ . 1 . 2]" 1
1170 2 57 THR HB 2 57 THR MG 2.322 . 2.996 2.134 2.132 2.138 . 0 0 "[ . 1 . 2]" 1
1171 1 56 PHE HB2 1 57 THR MG 3.244 . 4.559 3.533 3.111 4.784 0.225 9 0 "[ . 1 . 2]" 1
1172 2 56 PHE HB2 2 57 THR MG 3.244 . 4.559 3.533 3.113 4.788 0.229 9 0 "[ . 1 . 2]" 1
1173 1 57 THR MG 2 46 MET QG 2.719 . 3.643 2.175 1.821 2.624 . 0 0 "[ . 1 . 2]" 1
1174 1 46 MET QG 2 57 THR MG 2.719 . 3.643 2.177 1.819 2.626 . 0 0 "[ . 1 . 2]" 1
1175 1 58 ALA HA 1 59 ILE HB 3.376 . 6.000 4.845 4.312 5.424 . 0 0 "[ . 1 . 2]" 1
1176 2 58 ALA HA 2 59 ILE HB 3.376 . 6.000 4.843 4.305 5.427 . 0 0 "[ . 1 . 2]" 1
1177 1 58 ALA HA 1 58 ALA MB 2.223 . 2.653 2.129 2.117 2.137 . 0 0 "[ . 1 . 2]" 1
1178 2 58 ALA HA 2 58 ALA MB 2.223 . 2.653 2.129 2.117 2.137 . 0 0 "[ . 1 . 2]" 1
1179 1 57 THR MG 1 58 ALA HA 3.314 . 6.000 5.643 5.444 6.004 0.004 20 0 "[ . 1 . 2]" 1
1180 2 57 THR MG 2 58 ALA HA 3.314 . 6.000 5.644 5.444 6.004 0.004 20 0 "[ . 1 . 2]" 1
1181 1 58 ALA H 1 58 ALA HA 2.471 . 3.234 2.785 2.251 2.942 . 0 0 "[ . 1 . 2]" 1
1182 2 58 ALA H 2 58 ALA HA 2.471 . 3.234 2.785 2.251 2.943 . 0 0 "[ . 1 . 2]" 1
1183 1 57 THR H 1 58 ALA HA 3.423 . 4.888 4.769 4.383 4.932 0.044 5 0 "[ . 1 . 2]" 1
1184 2 57 THR H 2 58 ALA HA 3.423 . 4.888 4.769 4.379 4.932 0.044 5 0 "[ . 1 . 2]" 1
1185 1 57 THR MG 1 58 ALA MB 3.056 . 6.000 4.679 4.488 5.136 . 0 0 "[ . 1 . 2]" 1
1186 2 57 THR MG 2 58 ALA MB 3.056 . 6.000 4.679 4.491 5.138 . 0 0 "[ . 1 . 2]" 1
1187 1 55 ARG QD 1 58 ALA MB 3.641 . 6.000 5.513 4.986 5.862 . 0 0 "[ . 1 . 2]" 1
1188 2 55 ARG QD 2 58 ALA MB 3.641 . 6.000 5.513 4.987 5.862 . 0 0 "[ . 1 . 2]" 1
1189 1 58 ALA MB 1 59 ILE H 2.902 . 3.954 2.240 1.821 3.640 0.029 6 0 "[ . 1 . 2]" 1
1190 2 58 ALA MB 2 59 ILE H 2.902 . 3.954 2.242 1.821 3.642 0.029 6 0 "[ . 1 . 2]" 1
1191 1 57 THR H 1 58 ALA MB 3.374 . 4.797 4.125 3.823 4.736 . 0 0 "[ . 1 . 2]" 1
1192 2 57 THR H 2 58 ALA MB 3.374 . 4.797 4.125 3.816 4.734 . 0 0 "[ . 1 . 2]" 1
1193 1 59 ILE HB 1 59 ILE HG12 2.694 . 3.601 2.723 2.439 3.029 . 0 0 "[ . 1 . 2]" 1
1194 2 59 ILE HB 2 59 ILE HG12 2.694 . 3.601 2.722 2.440 3.028 . 0 0 "[ . 1 . 2]" 1
1195 1 59 ILE HB 1 60 LYS HA 3.136 . 6.000 5.389 4.542 6.004 0.004 15 0 "[ . 1 . 2]" 1
1196 2 59 ILE HB 2 60 LYS HA 3.136 . 6.000 5.389 4.537 6.006 0.006 15 0 "[ . 1 . 2]" 1
1197 1 60 LYS QG 1 62 SER HA 2.473 . 6.000 4.195 2.928 5.496 . 0 0 "[ . 1 . 2]" 1
1198 2 60 LYS QG 2 62 SER HA 2.473 . 6.000 4.193 2.934 5.497 . 0 0 "[ . 1 . 2]" 1
1199 1 60 LYS QE 1 60 LYS QG 2.500 . 3.281 2.210 2.122 2.346 . 0 0 "[ . 1 . 2]" 1
1200 2 60 LYS QE 2 60 LYS QG 2.500 . 3.281 2.210 2.120 2.350 . 0 0 "[ . 1 . 2]" 1
1201 1 60 LYS QG 1 66 ILE MD 3.284 . 6.000 4.718 3.783 5.747 . 0 0 "[ . 1 . 2]" 1
1202 2 60 LYS QG 2 66 ILE MD 3.284 . 6.000 4.718 3.781 5.750 . 0 0 "[ . 1 . 2]" 1
1203 1 74 LYS QB 2 95 ILE MG 2.728 . 3.658 2.538 1.899 3.268 . 0 0 "[ . 1 . 2]" 1
1204 1 95 ILE MG 2 74 LYS QB 2.728 . 3.658 2.540 1.898 3.269 . 0 0 "[ . 1 . 2]" 1
1205 1 59 ILE MG 1 61 PRO HD3 3.681 . 5.374 5.022 4.291 5.394 0.020 13 0 "[ . 1 . 2]" 1
1206 2 59 ILE MG 2 61 PRO HD3 3.681 . 5.374 5.023 4.296 5.395 0.021 13 0 "[ . 1 . 2]" 1
1207 1 54 LEU MD1 1 65 LEU HG 2.065 . 2.598 2.601 2.366 2.659 0.061 4 0 "[ . 1 . 2]" 1
1208 2 54 LEU MD1 2 65 LEU HG 2.065 . 2.598 2.600 2.362 2.659 0.061 4 0 "[ . 1 . 2]" 1
1209 1 50 ILE MD 1 65 LEU HG 2.978 . 4.086 3.540 2.484 4.082 . 0 0 "[ . 1 . 2]" 1
1210 2 50 ILE MD 2 65 LEU HG 2.978 . 4.086 3.541 2.484 4.086 . 0 0 "[ . 1 . 2]" 1
1211 1 94 ILE HA 1 94 ILE HB 2.899 . 3.950 3.017 3.007 3.023 . 0 0 "[ . 1 . 2]" 1
1212 2 94 ILE HA 2 94 ILE HB 2.899 . 3.950 3.017 3.009 3.023 . 0 0 "[ . 1 . 2]" 1
1213 1 94 ILE HA 1 94 ILE HG12 2.501 . 3.283 2.634 2.552 2.718 . 0 0 "[ . 1 . 2]" 1
1214 2 94 ILE HA 2 94 ILE HG12 2.501 . 3.283 2.635 2.552 2.721 . 0 0 "[ . 1 . 2]" 1
1215 1 94 ILE HA 1 97 ALA MB 2.535 . 3.338 2.107 1.871 2.375 . 0 0 "[ . 1 . 2]" 1
1216 2 94 ILE HA 2 97 ALA MB 2.535 . 3.338 2.106 1.874 2.375 . 0 0 "[ . 1 . 2]" 1
1217 1 94 ILE HA 1 95 ILE HG12 2.497 . 6.000 5.447 5.375 5.525 . 0 0 "[ . 1 . 2]" 1
1218 2 94 ILE HA 2 95 ILE HG12 2.497 . 6.000 5.448 5.376 5.527 . 0 0 "[ . 1 . 2]" 1
1219 1 94 ILE HA 1 94 ILE MG 2.226 . 2.846 2.301 2.232 2.386 . 0 0 "[ . 1 . 2]" 1
1220 2 94 ILE HA 2 94 ILE MG 2.226 . 2.846 2.302 2.232 2.389 . 0 0 "[ . 1 . 2]" 1
1221 1 66 ILE HA 1 69 TRP HB2 2.933 . 4.008 2.375 1.964 3.023 . 0 0 "[ . 1 . 2]" 1
1222 2 66 ILE HA 2 69 TRP HB2 2.933 . 4.008 2.375 1.967 3.024 . 0 0 "[ . 1 . 2]" 1
1223 1 62 SER HA 1 66 ILE HB 3.578 . 6.000 6.013 5.910 6.050 0.050 8 0 "[ . 1 . 2]" 1
1224 2 62 SER HA 2 66 ILE HB 3.578 . 6.000 6.012 5.909 6.057 0.057 8 0 "[ . 1 . 2]" 1
1225 1 63 LEU HA 1 66 ILE HB 2.747 . 3.149 2.155 1.996 2.418 . 0 0 "[ . 1 . 2]" 1
1226 2 63 LEU HA 2 66 ILE HB 2.747 . 3.149 2.156 1.999 2.419 . 0 0 "[ . 1 . 2]" 1
1227 1 63 LEU HB2 1 66 ILE HB 2.779 . 6.000 4.853 4.623 5.286 . 0 0 "[ . 1 . 2]" 1
1228 2 63 LEU HB2 2 66 ILE HB 2.779 . 6.000 4.853 4.623 5.287 . 0 0 "[ . 1 . 2]" 1
1229 1 66 ILE HB 1 66 ILE MD 2.833 . 3.430 3.236 3.230 3.239 . 0 0 "[ . 1 . 2]" 1
1230 2 66 ILE HB 2 66 ILE MD 2.833 . 3.430 3.236 3.230 3.239 . 0 0 "[ . 1 . 2]" 1
1231 1 66 ILE MD 1 69 TRP HB3 3.547 . 5.120 3.720 3.353 4.124 . 0 0 "[ . 1 . 2]" 1
1232 2 66 ILE MD 2 69 TRP HB3 3.547 . 5.120 3.720 3.354 4.125 . 0 0 "[ . 1 . 2]" 1
1233 1 60 LYS QE 1 66 ILE MD 3.634 . 6.000 5.003 3.844 5.744 . 0 0 "[ . 1 . 2]" 1
1234 2 60 LYS QE 2 66 ILE MD 3.634 . 6.000 5.003 3.838 5.748 . 0 0 "[ . 1 . 2]" 1
1235 1 62 SER HA 1 66 ILE MD 3.133 . 6.000 5.561 5.410 5.760 . 0 0 "[ . 1 . 2]" 1
1236 2 62 SER HA 2 66 ILE MD 3.133 . 6.000 5.561 5.409 5.754 . 0 0 "[ . 1 . 2]" 1
1237 1 66 ILE MD 1 67 ASN H 3.621 . 5.260 4.662 4.638 4.704 . 0 0 "[ . 1 . 2]" 1
1238 2 66 ILE MD 2 67 ASN H 3.621 . 5.260 4.662 4.639 4.700 . 0 0 "[ . 1 . 2]" 1
1239 1 65 LEU H 1 66 ILE MD 3.721 . 5.451 5.094 4.963 5.317 . 0 0 "[ . 1 . 2]" 1
1240 2 65 LEU H 2 66 ILE MD 3.721 . 5.451 5.094 4.970 5.323 . 0 0 "[ . 1 . 2]" 1
1241 1 66 ILE HG12 1 67 ASN H 3.036 . 4.188 4.215 4.185 4.247 0.059 7 0 "[ . 1 . 2]" 1
1242 2 66 ILE HG12 2 67 ASN H 3.036 . 4.188 4.215 4.188 4.248 0.060 7 0 "[ . 1 . 2]" 1
1243 1 63 LEU H 1 66 ILE HG12 3.483 . 5.000 4.590 4.397 4.876 . 0 0 "[ . 1 . 2]" 1
1244 2 63 LEU H 2 66 ILE HG12 3.483 . 5.000 4.591 4.406 4.880 . 0 0 "[ . 1 . 2]" 1
1245 1 66 ILE HG12 1 68 ARG H 3.562 . 6.000 6.046 5.960 6.090 0.090 9 0 "[ . 1 . 2]" 1
1246 2 66 ILE HG12 2 68 ARG H 3.562 . 6.000 6.046 5.963 6.089 0.089 9 0 "[ . 1 . 2]" 1
1247 1 66 ILE MG 1 69 TRP HE3 3.597 . 5.214 2.449 2.003 3.041 . 0 0 "[ . 1 . 2]" 1
1248 2 66 ILE MG 2 69 TRP HE3 3.597 . 5.214 2.448 2.000 3.032 . 0 0 "[ . 1 . 2]" 1
1249 1 66 ILE HB 1 66 ILE MG 2.252 . 2.886 2.129 2.127 2.131 . 0 0 "[ . 1 . 2]" 1
1250 2 66 ILE HB 2 66 ILE MG 2.252 . 2.886 2.129 2.126 2.130 . 0 0 "[ . 1 . 2]" 1
1251 1 66 ILE MD 1 66 ILE MG 2.375 . 2.927 1.940 1.891 1.979 . 0 0 "[ . 1 . 2]" 1
1252 2 66 ILE MD 2 66 ILE MG 2.375 . 2.927 1.940 1.889 1.980 . 0 0 "[ . 1 . 2]" 1
1253 1 66 ILE MG 1 67 ASN HA 3.205 . 4.489 3.509 3.312 3.644 . 0 0 "[ . 1 . 2]" 1
1254 2 66 ILE MG 2 67 ASN HA 3.205 . 4.489 3.508 3.309 3.642 . 0 0 "[ . 1 . 2]" 1
1255 1 66 ILE MD 1 67 ASN HA 3.653 . 6.000 5.869 5.797 5.926 . 0 0 "[ . 1 . 2]" 1
1256 2 66 ILE MD 2 67 ASN HA 3.653 . 6.000 5.869 5.795 5.926 . 0 0 "[ . 1 . 2]" 1
1257 1 67 ASN HA 1 67 ASN HB3 2.517 . 3.309 2.950 2.583 3.030 . 0 0 "[ . 1 . 2]" 1
1258 2 67 ASN HA 2 67 ASN HB3 2.517 . 3.309 2.950 2.582 3.032 . 0 0 "[ . 1 . 2]" 1
1259 1 66 ILE HA 1 67 ASN HA 2.620 . 6.000 4.787 4.740 4.833 . 0 0 "[ . 1 . 2]" 1
1260 2 66 ILE HA 2 67 ASN HA 2.620 . 6.000 4.788 4.738 4.835 . 0 0 "[ . 1 . 2]" 1
1261 1 64 GLY HA2 1 67 ASN HB3 3.348 . 4.749 3.176 2.661 4.371 . 0 0 "[ . 1 . 2]" 1
1262 2 64 GLY HA2 2 67 ASN HB3 3.348 . 4.749 3.175 2.651 4.364 . 0 0 "[ . 1 . 2]" 1
1263 1 66 ILE HB 1 67 ASN HB3 3.828 . 5.659 5.222 4.905 5.857 0.198 6 0 "[ . 1 . 2]" 1
1264 2 66 ILE HB 2 67 ASN HB3 3.828 . 5.659 5.222 4.894 5.863 0.204 6 0 "[ . 1 . 2]" 1
1265 1 66 ILE H 1 67 ASN HB3 3.858 . 5.718 5.110 4.718 6.166 0.448 2 0 "[ . 1 . 2]" 1
1266 2 66 ILE H 2 67 ASN HB3 3.858 . 5.718 5.112 4.719 6.167 0.449 2 0 "[ . 1 . 2]" 1
1267 1 63 LEU HB2 1 67 ASN HB2 3.453 . 6.000 5.476 5.066 5.901 . 0 0 "[ . 1 . 2]" 1
1268 2 63 LEU HB2 2 67 ASN HB2 3.453 . 6.000 5.477 5.059 5.904 . 0 0 "[ . 1 . 2]" 1
1269 1 66 ILE MG 1 67 ASN HB3 3.804 . 5.613 5.375 5.083 5.682 0.069 6 0 "[ . 1 . 2]" 1
1270 2 66 ILE MG 2 67 ASN HB3 3.804 . 5.613 5.375 5.075 5.680 0.067 6 0 "[ . 1 . 2]" 1
1271 1 66 ILE MG 1 67 ASN HB2 3.391 . 6.000 4.693 4.416 5.140 . 0 0 "[ . 1 . 2]" 1
1272 2 66 ILE MG 2 67 ASN HB2 3.391 . 6.000 4.693 4.412 5.134 . 0 0 "[ . 1 . 2]" 1
1273 1 67 ASN HA 1 67 ASN HB2 2.783 . 3.751 2.563 2.413 3.009 . 0 0 "[ . 1 . 2]" 1
1274 2 67 ASN HA 2 67 ASN HB2 2.783 . 3.751 2.562 2.409 3.006 . 0 0 "[ . 1 . 2]" 1
1275 1 64 GLY HA2 1 67 ASN HB2 3.101 . 4.303 3.285 2.662 3.633 . 0 0 "[ . 1 . 2]" 1
1276 2 64 GLY HA2 2 67 ASN HB2 3.101 . 4.303 3.283 2.660 3.633 . 0 0 "[ . 1 . 2]" 1
1277 1 67 ASN H 1 67 ASN HB2 3.005 . 4.134 2.493 2.136 2.638 . 0 0 "[ . 1 . 2]" 1
1278 2 67 ASN H 2 67 ASN HB2 3.005 . 4.134 2.494 2.138 2.630 . 0 0 "[ . 1 . 2]" 1
1279 1 96 ASN HA 1 99 LYS QB 2.278 . 6.000 3.979 2.570 5.344 . 0 0 "[ . 1 . 2]" 1
1280 2 96 ASN HA 2 99 LYS QB 2.278 . 6.000 3.979 2.568 5.343 . 0 0 "[ . 1 . 2]" 1
1281 1 68 ARG HB2 1 71 SER H 3.570 . 6.000 5.494 5.181 5.679 . 0 0 "[ . 1 . 2]" 1
1282 2 68 ARG HB2 2 71 SER H 3.570 . 6.000 5.494 5.175 5.678 . 0 0 "[ . 1 . 2]" 1
1283 1 66 ILE MG 1 69 TRP HA 2.658 . 6.000 5.829 5.622 6.005 0.005 15 0 "[ . 1 . 2]" 1
1284 2 66 ILE MG 2 69 TRP HA 2.658 . 6.000 5.828 5.623 6.007 0.007 15 0 "[ . 1 . 2]" 1
1285 1 69 TRP HA 2 95 ILE MD 3.746 . 5.500 3.637 3.403 3.800 . 0 0 "[ . 1 . 2]" 1
1286 1 95 ILE MD 2 69 TRP HA 3.746 . 5.500 3.635 3.406 3.806 . 0 0 "[ . 1 . 2]" 1
1287 1 66 ILE HA 1 69 TRP HA 2.722 . 6.000 4.707 4.478 4.925 . 0 0 "[ . 1 . 2]" 1
1288 2 66 ILE HA 2 69 TRP HA 2.722 . 6.000 4.707 4.479 4.924 . 0 0 "[ . 1 . 2]" 1
1289 1 69 TRP HA 1 69 TRP HB2 2.790 . 3.763 2.477 2.343 2.556 . 0 0 "[ . 1 . 2]" 1
1290 2 69 TRP HA 2 69 TRP HB2 2.790 . 3.763 2.477 2.342 2.556 . 0 0 "[ . 1 . 2]" 1
1291 1 69 TRP HA 1 69 TRP HD1 2.634 . 3.501 2.541 2.223 3.156 . 0 0 "[ . 1 . 2]" 1
1292 2 69 TRP HA 2 69 TRP HD1 2.634 . 3.501 2.542 2.222 3.157 . 0 0 "[ . 1 . 2]" 1
1293 1 68 ARG H 1 69 TRP HA 3.425 . 4.891 4.877 4.703 4.995 0.104 6 0 "[ . 1 . 2]" 1
1294 2 68 ARG H 2 69 TRP HA 3.425 . 4.891 4.878 4.711 4.989 0.098 12 0 "[ . 1 . 2]" 1
1295 1 69 TRP HA 1 72 VAL HB 3.362 . 4.774 4.220 3.805 4.799 0.025 13 0 "[ . 1 . 2]" 1
1296 2 69 TRP HA 2 72 VAL HB 3.362 . 4.774 4.219 3.805 4.798 0.024 13 0 "[ . 1 . 2]" 1
1297 1 71 SER HA 1 73 GLY H 3.765 . 6.000 5.645 3.277 6.115 0.115 2 0 "[ . 1 . 2]" 1
1298 2 71 SER HA 2 73 GLY H 3.765 . 6.000 5.644 3.272 6.112 0.112 2 0 "[ . 1 . 2]" 1
1299 1 71 SER HA 1 71 SER QB 2.536 . 3.327 2.373 2.340 2.403 . 0 0 "[ . 1 . 2]" 1
1300 2 71 SER HA 2 71 SER QB 2.536 . 3.327 2.374 2.342 2.406 . 0 0 "[ . 1 . 2]" 1
1301 1 68 ARG HG3 1 71 SER QB 2.957 . 4.050 3.047 2.417 4.993 0.943 6 2 "[ .+ 1 . -]" 1
1302 2 68 ARG HG3 2 71 SER QB 2.957 . 4.050 3.048 2.421 4.990 0.940 6 2 "[ .+ 1 . -]" 1
1303 1 71 SER QB 1 72 VAL MG2 3.112 . 6.000 3.653 3.466 3.879 . 0 0 "[ . 1 . 2]" 1
1304 2 71 SER QB 2 72 VAL MG2 3.112 . 6.000 3.655 3.464 3.885 . 0 0 "[ . 1 . 2]" 1
1305 1 72 VAL QG 1 80 ILE MG 2.966 . 6.000 4.238 3.864 4.468 . 0 0 "[ . 1 . 2]" 1
1306 2 72 VAL QG 2 80 ILE MG 2.966 . 6.000 4.238 3.861 4.467 . 0 0 "[ . 1 . 2]" 1
1307 1 72 VAL HA 1 72 VAL QG 2.549 . 2.800 2.140 2.126 2.147 . 0 0 "[ . 1 . 2]" 1
1308 2 72 VAL HA 2 72 VAL QG 2.549 . 2.800 2.139 2.125 2.146 . 0 0 "[ . 1 . 2]" 1
1309 1 72 VAL QG 1 77 ALA HA 2.808 . 3.794 2.931 2.557 3.123 . 0 0 "[ . 1 . 2]" 1
1310 2 72 VAL QG 2 77 ALA HA 2.808 . 3.794 2.931 2.557 3.125 . 0 0 "[ . 1 . 2]" 1
1311 1 69 TRP HA 1 72 VAL QG 2.917 . 3.981 2.485 2.143 2.918 . 0 0 "[ . 1 . 2]" 1
1312 2 69 TRP HA 2 72 VAL QG 2.917 . 3.981 2.485 2.144 2.918 . 0 0 "[ . 1 . 2]" 1
1313 1 72 VAL QG 1 73 GLY H 3.244 . 4.559 2.612 2.207 3.484 . 0 0 "[ . 1 . 2]" 1
1314 2 72 VAL QG 2 73 GLY H 3.244 . 4.559 2.611 2.205 3.480 . 0 0 "[ . 1 . 2]" 1
1315 1 72 VAL QG 1 77 ALA H 3.009 . 4.141 2.818 2.425 3.096 . 0 0 "[ . 1 . 2]" 1
1316 2 72 VAL QG 2 77 ALA H 3.009 . 4.141 2.819 2.423 3.098 . 0 0 "[ . 1 . 2]" 1
1317 1 47 VAL H 1 72 VAL QG 3.280 . 4.625 4.501 3.942 4.751 0.126 6 0 "[ . 1 . 2]" 1
1318 2 47 VAL H 2 72 VAL QG 3.280 . 4.625 4.501 3.942 4.749 0.124 6 0 "[ . 1 . 2]" 1
1319 1 69 TRP HD1 1 72 VAL QG 3.016 . 4.153 3.469 3.041 4.162 0.009 6 0 "[ . 1 . 2]" 1
1320 2 69 TRP HD1 2 72 VAL QG 3.016 . 4.153 3.470 3.045 4.160 0.007 6 0 "[ . 1 . 2]" 1
1321 1 72 VAL H 1 72 VAL QG 2.553 . 3.368 2.061 1.926 2.426 . 0 0 "[ . 1 . 2]" 1
1322 2 72 VAL H 2 72 VAL QG 2.553 . 3.368 2.061 1.924 2.430 . 0 0 "[ . 1 . 2]" 1
1323 1 71 SER H 1 72 VAL HA 3.370 . 6.000 4.800 4.374 5.104 . 0 0 "[ . 1 . 2]" 1
1324 2 71 SER H 2 72 VAL HA 3.370 . 6.000 4.800 4.371 5.103 . 0 0 "[ . 1 . 2]" 1
1325 1 72 VAL HA 1 72 VAL HB 2.388 . 3.101 3.026 3.010 3.030 . 0 0 "[ . 1 . 2]" 1
1326 2 72 VAL HA 2 72 VAL HB 2.388 . 3.101 3.026 3.010 3.031 . 0 0 "[ . 1 . 2]" 1
1327 1 44 ILE HB 1 72 VAL HA 3.010 . 4.142 3.094 2.213 3.753 . 0 0 "[ . 1 . 2]" 1
1328 2 44 ILE HB 2 72 VAL HA 3.010 . 4.142 3.093 2.214 3.750 . 0 0 "[ . 1 . 2]" 1
1329 1 48 LEU QD 1 72 VAL HA 2.315 . 6.000 4.792 4.524 5.078 . 0 0 "[ . 1 . 2]" 1
1330 2 48 LEU QD 2 72 VAL HA 2.315 . 6.000 4.791 4.525 5.077 . 0 0 "[ . 1 . 2]" 1
1331 1 73 GLY HA2 1 74 LYS QG 3.451 . 6.000 3.685 3.069 4.419 . 0 0 "[ . 1 . 2]" 1
1332 2 73 GLY HA2 2 74 LYS QG 3.451 . 6.000 3.685 3.072 4.424 . 0 0 "[ . 1 . 2]" 1
1333 1 74 LYS HA 1 74 LYS HE2 3.255 . 6.000 5.458 4.412 6.303 0.303 15 0 "[ . 1 . 2]" 1
1334 2 74 LYS HA 2 74 LYS HE2 3.255 . 6.000 5.458 4.408 6.303 0.303 15 0 "[ . 1 . 2]" 1
1335 1 74 LYS HA 2 95 ILE HB 2.888 . 3.931 3.614 3.092 4.003 0.072 20 0 "[ . 1 . 2]" 1
1336 1 95 ILE HB 2 74 LYS HA 2.888 . 3.931 3.615 3.101 4.025 0.094 20 0 "[ . 1 . 2]" 1
1337 1 74 LYS HA 1 74 LYS HB3 2.292 . 2.948 2.403 2.279 2.548 . 0 0 "[ . 1 . 2]" 1
1338 2 74 LYS HA 2 74 LYS HB3 2.292 . 2.948 2.402 2.280 2.547 . 0 0 "[ . 1 . 2]" 1
1339 1 78 MET HA 1 78 MET HB3 2.462 . 3.220 2.508 2.472 2.545 . 0 0 "[ . 1 . 2]" 1
1340 2 78 MET HA 2 78 MET HB3 2.462 . 3.220 2.508 2.472 2.546 . 0 0 "[ . 1 . 2]" 1
1341 1 74 LYS HA 1 74 LYS QG 2.490 . 6.000 3.135 2.311 3.418 . 0 0 "[ . 1 . 2]" 1
1342 2 74 LYS HA 2 74 LYS QG 2.490 . 6.000 3.135 2.315 3.417 . 0 0 "[ . 1 . 2]" 1
1343 1 74 LYS HA 2 95 ILE MG 2.448 . 3.197 2.153 1.796 2.389 0.004 6 0 "[ . 1 . 2]" 1
1344 1 95 ILE MG 2 74 LYS HA 2.448 . 3.197 2.155 1.797 2.384 0.003 6 0 "[ . 1 . 2]" 1
1345 1 74 LYS HA 2 95 ILE MD 3.245 . 6.000 4.573 4.206 5.056 . 0 0 "[ . 1 . 2]" 1
1346 1 95 ILE MD 2 74 LYS HA 3.245 . 6.000 4.575 4.199 5.061 . 0 0 "[ . 1 . 2]" 1
1347 1 76 GLU H 1 76 GLU HA 2.481 . 3.250 2.795 2.733 2.830 . 0 0 "[ . 1 . 2]" 1
1348 2 76 GLU H 2 76 GLU HA 2.481 . 3.250 2.795 2.728 2.828 . 0 0 "[ . 1 . 2]" 1
1349 1 75 LYS HG2 1 79 GLU QG 3.328 . 4.712 4.685 4.188 5.018 0.306 3 0 "[ . 1 . 2]" 1
1350 2 75 LYS HG2 2 79 GLU QG 3.328 . 4.712 4.685 4.191 5.012 0.300 3 0 "[ . 1 . 2]" 1
1351 1 55 ARG HA 1 56 PHE HA 3.253 . 6.000 4.565 4.523 4.635 . 0 0 "[ . 1 . 2]" 1
1352 2 55 ARG HA 2 56 PHE HA 3.253 . 6.000 4.565 4.522 4.638 . 0 0 "[ . 1 . 2]" 1
1353 1 55 ARG HA 1 57 THR H 3.465 . 4.966 4.374 3.921 4.747 . 0 0 "[ . 1 . 2]" 1
1354 2 55 ARG HA 2 57 THR H 3.465 . 4.966 4.373 3.919 4.749 . 0 0 "[ . 1 . 2]" 1
1355 1 76 GLU QG 1 80 ILE H 3.684 . 5.381 3.964 3.582 4.287 . 0 0 "[ . 1 . 2]" 1
1356 2 76 GLU QG 2 80 ILE H 3.684 . 5.381 3.965 3.595 4.287 . 0 0 "[ . 1 . 2]" 1
1357 1 76 GLU HA 1 76 GLU QG 2.809 . 3.795 2.820 2.390 2.961 . 0 0 "[ . 1 . 2]" 1
1358 2 76 GLU HA 2 76 GLU QG 2.809 . 3.795 2.821 2.392 2.961 . 0 0 "[ . 1 . 2]" 1
1359 1 76 GLU HB2 1 76 GLU QG 2.538 . 3.343 2.363 2.184 2.465 . 0 0 "[ . 1 . 2]" 1
1360 2 76 GLU HB2 2 76 GLU QG 2.538 . 3.343 2.363 2.186 2.467 . 0 0 "[ . 1 . 2]" 1
1361 1 72 VAL MG1 1 76 GLU QG 3.002 . 4.129 3.140 2.427 3.841 . 0 0 "[ . 1 . 2]" 1
1362 2 72 VAL MG1 2 76 GLU QG 3.002 . 4.129 3.140 2.422 3.854 . 0 0 "[ . 1 . 2]" 1
1363 1 76 GLU QG 1 80 ILE MD 2.919 . 3.697 2.122 1.931 2.385 . 0 0 "[ . 1 . 2]" 1
1364 2 76 GLU QG 2 80 ILE MD 2.919 . 3.697 2.121 1.929 2.379 . 0 0 "[ . 1 . 2]" 1
1365 1 76 GLU QG 1 80 ILE MG 3.842 . 5.687 4.627 4.447 4.836 . 0 0 "[ . 1 . 2]" 1
1366 2 76 GLU QG 2 80 ILE MG 3.842 . 5.687 4.627 4.442 4.829 . 0 0 "[ . 1 . 2]" 1
1367 1 100 GLU HA 1 100 GLU HG2 2.843 . 3.853 3.119 2.376 3.712 . 0 0 "[ . 1 . 2]" 1
1368 2 100 GLU HA 2 100 GLU HG2 2.843 . 3.853 3.117 2.371 3.711 . 0 0 "[ . 1 . 2]" 1
1369 1 77 ALA HA 1 78 MET H 3.259 . 4.586 3.544 3.524 3.563 . 0 0 "[ . 1 . 2]" 1
1370 2 77 ALA HA 2 78 MET H 3.259 . 4.586 3.544 3.522 3.562 . 0 0 "[ . 1 . 2]" 1
1371 1 77 ALA H 1 77 ALA HA 2.788 . 3.760 2.787 2.765 2.814 . 0 0 "[ . 1 . 2]" 1
1372 2 77 ALA H 2 77 ALA HA 2.788 . 3.760 2.787 2.766 2.813 . 0 0 "[ . 1 . 2]" 1
1373 1 77 ALA HA 1 80 ILE HA 3.555 . 6.000 5.188 4.980 5.417 . 0 0 "[ . 1 . 2]" 1
1374 2 77 ALA HA 2 80 ILE HA 3.555 . 6.000 5.188 4.982 5.416 . 0 0 "[ . 1 . 2]" 1
1375 1 77 ALA HA 1 80 ILE HG13 2.916 . 3.979 3.282 2.932 3.537 . 0 0 "[ . 1 . 2]" 1
1376 2 77 ALA HA 2 80 ILE HG13 2.916 . 3.979 3.283 2.938 3.532 . 0 0 "[ . 1 . 2]" 1
1377 1 77 ALA HA 1 77 ALA MB 2.344 . 3.031 2.128 2.124 2.133 . 0 0 "[ . 1 . 2]" 1
1378 2 77 ALA HA 2 77 ALA MB 2.344 . 3.031 2.129 2.125 2.134 . 0 0 "[ . 1 . 2]" 1
1379 1 72 VAL MG1 1 77 ALA HA 2.362 . 3.059 2.953 2.573 3.149 0.090 5 0 "[ . 1 . 2]" 1
1380 2 72 VAL MG1 2 77 ALA HA 2.362 . 3.059 2.953 2.573 3.152 0.093 5 0 "[ . 1 . 2]" 1
1381 1 77 ALA HA 1 80 ILE MD 2.853 . 3.870 2.209 1.957 2.505 . 0 0 "[ . 1 . 2]" 1
1382 2 77 ALA HA 2 80 ILE MD 2.853 . 3.870 2.209 1.959 2.503 . 0 0 "[ . 1 . 2]" 1
1383 1 77 ALA HA 1 80 ILE MG 3.071 . 4.250 3.879 3.615 4.100 . 0 0 "[ . 1 . 2]" 1
1384 2 77 ALA HA 2 80 ILE MG 3.071 . 4.250 3.879 3.613 4.100 . 0 0 "[ . 1 . 2]" 1
1385 1 77 ALA MB 1 78 MET HG3 3.342 . 4.738 3.668 3.309 4.926 0.188 17 0 "[ . 1 . 2]" 1
1386 2 77 ALA MB 2 78 MET HG3 3.342 . 4.738 3.669 3.305 4.923 0.185 17 0 "[ . 1 . 2]" 1
1387 1 78 MET HA 1 81 ILE HB 2.459 . 3.215 2.941 2.628 3.211 . 0 0 "[ . 1 . 2]" 1
1388 2 78 MET HA 2 81 ILE HB 2.459 . 3.215 2.941 2.628 3.212 . 0 0 "[ . 1 . 2]" 1
1389 1 77 ALA MB 1 78 MET HA 2.896 . 3.945 3.854 3.822 3.895 . 0 0 "[ . 1 . 2]" 1
1390 2 77 ALA MB 2 78 MET HA 2.896 . 3.945 3.853 3.822 3.893 . 0 0 "[ . 1 . 2]" 1
1391 1 78 MET HA 2 92 LEU QD 2.238 . 2.864 2.030 1.828 2.236 . 0 0 "[ . 1 . 2]" 1
1392 1 92 LEU QD 2 78 MET HA 2.238 . 2.864 2.031 1.823 2.212 . 0 0 "[ . 1 . 2]" 1
1393 1 78 MET HA 1 78 MET HG3 2.871 . 3.902 3.144 2.929 3.817 . 0 0 "[ . 1 . 2]" 1
1394 2 78 MET HA 2 78 MET HG3 2.871 . 3.902 3.144 2.927 3.815 . 0 0 "[ . 1 . 2]" 1
1395 1 78 MET HA 1 81 ILE H 2.831 . 3.833 3.697 3.425 3.842 0.009 1 0 "[ . 1 . 2]" 1
1396 2 78 MET HA 2 81 ILE H 2.831 . 3.833 3.697 3.426 3.843 0.010 1 0 "[ . 1 . 2]" 1
1397 1 78 MET HA 1 79 GLU H 2.943 . 4.026 3.530 3.508 3.548 . 0 0 "[ . 1 . 2]" 1
1398 2 78 MET HA 2 79 GLU H 2.943 . 4.026 3.530 3.508 3.546 . 0 0 "[ . 1 . 2]" 1
1399 1 77 ALA MB 1 78 MET HB2 2.970 . 6.000 4.627 4.487 4.825 . 0 0 "[ . 1 . 2]" 1
1400 2 77 ALA MB 2 78 MET HB2 2.970 . 6.000 4.627 4.489 4.824 . 0 0 "[ . 1 . 2]" 1
1401 1 78 MET HB2 1 78 MET HG3 2.679 . 3.576 2.422 2.291 2.468 . 0 0 "[ . 1 . 2]" 1
1402 2 78 MET HB2 2 78 MET HG3 2.679 . 3.576 2.422 2.292 2.468 . 0 0 "[ . 1 . 2]" 1
1403 1 77 ALA H 1 78 MET HB2 3.591 . 5.203 4.877 4.736 4.956 . 0 0 "[ . 1 . 2]" 1
1404 2 77 ALA H 2 78 MET HB2 3.591 . 5.203 4.877 4.736 4.957 . 0 0 "[ . 1 . 2]" 1
1405 1 78 MET HB2 1 80 ILE H 3.141 . 6.000 4.993 4.809 5.095 . 0 0 "[ . 1 . 2]" 1
1406 2 78 MET HB2 2 80 ILE H 3.141 . 6.000 4.993 4.808 5.092 . 0 0 "[ . 1 . 2]" 1
1407 1 78 MET H 1 78 MET HB3 3.329 . 4.714 3.599 3.585 3.615 . 0 0 "[ . 1 . 2]" 1
1408 2 78 MET H 2 78 MET HB3 3.329 . 4.714 3.599 3.585 3.615 . 0 0 "[ . 1 . 2]" 1
1409 1 78 MET HB3 1 78 MET HG3 2.543 . 3.199 2.942 2.569 3.009 . 0 0 "[ . 1 . 2]" 1
1410 2 78 MET HB3 2 78 MET HG3 2.543 . 3.199 2.943 2.568 3.010 . 0 0 "[ . 1 . 2]" 1
1411 1 75 LYS HB2 1 78 MET ME 2.746 . 6.000 5.237 4.020 6.089 0.089 5 0 "[ . 1 . 2]" 1
1412 2 75 LYS HB2 2 78 MET ME 2.746 . 6.000 5.236 4.026 6.092 0.092 4 0 "[ . 1 . 2]" 1
1413 1 78 MET ME 2 92 LEU QD 2.379 . 3.086 2.960 2.322 3.131 0.045 6 0 "[ . 1 . 2]" 1
1414 1 92 LEU QD 2 78 MET ME 2.379 . 3.086 2.961 2.320 3.121 0.035 6 0 "[ . 1 . 2]" 1
1415 1 78 MET HG3 2 92 LEU QD 2.811 . 3.799 2.486 2.056 3.635 . 0 0 "[ . 1 . 2]" 1
1416 1 92 LEU QD 2 78 MET HG3 2.811 . 3.799 2.487 2.032 3.666 . 0 0 "[ . 1 . 2]" 1
1417 1 79 GLU HB2 1 79 GLU QG 2.290 . 2.867 2.263 2.152 2.318 . 0 0 "[ . 1 . 2]" 1
1418 2 79 GLU HB2 2 79 GLU QG 2.290 . 2.867 2.264 2.152 2.317 . 0 0 "[ . 1 . 2]" 1
1419 1 79 GLU H 1 79 GLU QG 3.011 . 3.912 2.211 1.946 2.343 . 0 0 "[ . 1 . 2]" 1
1420 2 79 GLU H 2 79 GLU QG 3.011 . 3.912 2.210 1.942 2.346 . 0 0 "[ . 1 . 2]" 1
1421 1 79 GLU H 1 80 ILE HA 3.548 . 6.000 5.239 5.165 5.341 . 0 0 "[ . 1 . 2]" 1
1422 2 79 GLU H 2 80 ILE HA 3.548 . 6.000 5.240 5.163 5.348 . 0 0 "[ . 1 . 2]" 1
1423 1 79 GLU HB2 1 80 ILE HA 2.765 . 6.000 4.310 4.094 4.455 . 0 0 "[ . 1 . 2]" 1
1424 2 79 GLU HB2 2 80 ILE HA 2.765 . 6.000 4.310 4.095 4.461 . 0 0 "[ . 1 . 2]" 1
1425 1 80 ILE HA 1 80 ILE HG13 2.587 . 3.424 2.932 2.810 3.012 . 0 0 "[ . 1 . 2]" 1
1426 2 80 ILE HA 2 80 ILE HG13 2.587 . 3.424 2.932 2.807 3.010 . 0 0 "[ . 1 . 2]" 1
1427 1 80 ILE HA 1 80 ILE MG 2.691 . 3.596 2.419 2.384 2.501 . 0 0 "[ . 1 . 2]" 1
1428 2 80 ILE HA 2 80 ILE MG 2.691 . 3.596 2.418 2.384 2.502 . 0 0 "[ . 1 . 2]" 1
1429 1 80 ILE HA 1 80 ILE HB 2.923 . 3.991 3.025 3.017 3.028 . 0 0 "[ . 1 . 2]" 1
1430 2 80 ILE HA 2 80 ILE HB 2.923 . 3.991 3.024 3.016 3.027 . 0 0 "[ . 1 . 2]" 1
1431 1 61 PRO HB2 1 63 LEU HA 2.275 . 6.000 5.258 5.014 6.014 0.014 16 0 "[ . 1 . 2]" 1
1432 2 61 PRO HB2 2 63 LEU HA 2.275 . 6.000 5.260 5.012 6.013 0.013 16 0 "[ . 1 . 2]" 1
1433 1 63 LEU HA 1 63 LEU HB2 2.215 . 2.829 3.010 2.990 3.019 0.190 20 0 "[ . 1 . 2]" 1
1434 2 63 LEU HA 2 63 LEU HB2 2.215 . 2.829 3.010 2.992 3.018 0.189 20 0 "[ . 1 . 2]" 1
1435 1 80 ILE HB 1 80 ILE MD 2.827 . 3.424 2.395 2.376 2.415 . 0 0 "[ . 1 . 2]" 1
1436 2 80 ILE HB 2 80 ILE MD 2.827 . 3.424 2.396 2.376 2.414 . 0 0 "[ . 1 . 2]" 1
1437 1 80 ILE HB 1 80 ILE MG 2.904 . 3.268 2.130 2.127 2.132 . 0 0 "[ . 1 . 2]" 1
1438 2 80 ILE HB 2 80 ILE MG 2.904 . 3.268 2.130 2.127 2.132 . 0 0 "[ . 1 . 2]" 1
1439 1 77 ALA HA 1 80 ILE HB 3.294 . 4.651 2.498 2.232 2.770 . 0 0 "[ . 1 . 2]" 1
1440 2 77 ALA HA 2 80 ILE HB 3.294 . 4.651 2.497 2.231 2.770 . 0 0 "[ . 1 . 2]" 1
1441 1 79 GLU HB2 1 80 ILE HB 3.126 . 6.000 4.987 4.728 5.077 . 0 0 "[ . 1 . 2]" 1
1442 2 79 GLU HB2 2 80 ILE HB 3.126 . 6.000 4.987 4.730 5.075 . 0 0 "[ . 1 . 2]" 1
1443 1 80 ILE HB 1 81 ILE H 3.394 . 4.834 2.411 2.331 2.478 . 0 0 "[ . 1 . 2]" 1
1444 2 80 ILE HB 2 81 ILE H 3.394 . 4.834 2.410 2.326 2.479 . 0 0 "[ . 1 . 2]" 1
1445 1 80 ILE MD 1 80 ILE MG 2.414 . 3.143 1.950 1.920 1.970 . 0 0 "[ . 1 . 2]" 1
1446 2 80 ILE MD 2 80 ILE MG 2.414 . 3.143 1.951 1.921 1.969 . 0 0 "[ . 1 . 2]" 1
1447 1 80 ILE MD 1 80 ILE HG13 2.355 . 3.048 2.118 2.115 2.121 . 0 0 "[ . 1 . 2]" 1
1448 2 80 ILE MD 2 80 ILE HG13 2.355 . 3.048 2.119 2.115 2.121 . 0 0 "[ . 1 . 2]" 1
1449 1 72 VAL MG1 1 80 ILE MD 2.188 . 2.787 2.528 2.006 2.844 0.057 16 0 "[ . 1 . 2]" 1
1450 2 72 VAL MG1 2 80 ILE MD 2.188 . 2.787 2.528 2.007 2.845 0.058 16 0 "[ . 1 . 2]" 1
1451 1 80 ILE HA 1 80 ILE MD 2.766 . 6.000 3.852 3.817 3.868 . 0 0 "[ . 1 . 2]" 1
1452 2 80 ILE HA 2 80 ILE MD 2.766 . 6.000 3.852 3.816 3.869 . 0 0 "[ . 1 . 2]" 1
1453 1 44 ILE H 1 80 ILE MD 3.528 . 6.000 5.344 4.917 5.980 . 0 0 "[ . 1 . 2]" 1
1454 2 44 ILE H 2 80 ILE MD 3.528 . 6.000 5.344 4.916 5.984 . 0 0 "[ . 1 . 2]" 1
1455 1 80 ILE MG 1 85 LYS H 3.569 . 6.000 5.750 5.533 5.869 . 0 0 "[ . 1 . 2]" 1
1456 2 80 ILE MG 2 85 LYS H 3.569 . 6.000 5.750 5.535 5.871 . 0 0 "[ . 1 . 2]" 1
1457 1 49 ALA HA 1 80 ILE MG 2.807 . 6.000 5.203 4.617 5.522 . 0 0 "[ . 1 . 2]" 1
1458 2 49 ALA HA 2 80 ILE MG 2.807 . 6.000 5.203 4.617 5.524 . 0 0 "[ . 1 . 2]" 1
1459 1 80 ILE MG 1 81 ILE HA 3.388 . 4.823 3.275 2.966 3.401 . 0 0 "[ . 1 . 2]" 1
1460 2 80 ILE MG 2 81 ILE HA 3.388 . 4.823 3.274 2.965 3.404 . 0 0 "[ . 1 . 2]" 1
1461 1 80 ILE MG 1 84 PHE HB2 2.652 . 3.531 3.028 2.839 3.214 . 0 0 "[ . 1 . 2]" 1
1462 2 80 ILE MG 2 84 PHE HB2 2.652 . 3.531 3.027 2.839 3.217 . 0 0 "[ . 1 . 2]" 1
1463 1 80 ILE HG12 1 80 ILE MG 2.561 . 3.381 2.339 2.309 2.373 . 0 0 "[ . 1 . 2]" 1
1464 2 80 ILE HG12 2 80 ILE MG 2.561 . 3.381 2.340 2.312 2.373 . 0 0 "[ . 1 . 2]" 1
1465 1 81 ILE HA 1 81 ILE HB 2.677 . 3.573 3.021 3.018 3.025 . 0 0 "[ . 1 . 2]" 1
1466 2 81 ILE HA 2 81 ILE HB 2.677 . 3.573 3.021 3.018 3.024 . 0 0 "[ . 1 . 2]" 1
1467 1 81 ILE H 1 81 ILE HB 2.901 . 3.953 2.489 2.453 2.564 . 0 0 "[ . 1 . 2]" 1
1468 2 81 ILE H 2 81 ILE HB 2.901 . 3.953 2.490 2.455 2.566 . 0 0 "[ . 1 . 2]" 1
1469 1 81 ILE HB 1 81 ILE HG12 2.353 . 3.045 2.437 2.415 2.454 . 0 0 "[ . 1 . 2]" 1
1470 2 81 ILE HB 2 81 ILE HG12 2.353 . 3.045 2.437 2.415 2.455 . 0 0 "[ . 1 . 2]" 1
1471 1 80 ILE MG 1 81 ILE HB 3.579 . 5.180 5.011 4.734 5.155 . 0 0 "[ . 1 . 2]" 1
1472 2 80 ILE MG 2 81 ILE HB 3.579 . 5.180 5.011 4.731 5.159 . 0 0 "[ . 1 . 2]" 1
1473 1 80 ILE MD 1 81 ILE MD 2.743 . 6.000 4.681 4.436 4.846 . 0 0 "[ . 1 . 2]" 1
1474 2 80 ILE MD 2 81 ILE MD 2.743 . 6.000 4.681 4.434 4.847 . 0 0 "[ . 1 . 2]" 1
1475 1 80 ILE MD 1 81 ILE HG12 2.333 . 6.000 4.723 4.618 4.832 . 0 0 "[ . 1 . 2]" 1
1476 2 80 ILE MD 2 81 ILE HG12 2.333 . 6.000 4.723 4.618 4.831 . 0 0 "[ . 1 . 2]" 1
1477 1 80 ILE HB 1 81 ILE HG12 1.914 . 6.000 3.240 3.122 3.340 . 0 0 "[ . 1 . 2]" 1
1478 2 80 ILE HB 2 81 ILE HG12 1.914 . 6.000 3.239 3.125 3.337 . 0 0 "[ . 1 . 2]" 1
1479 1 81 ILE HG12 2 92 LEU HA 2.475 . 6.000 4.575 4.213 4.872 . 0 0 "[ . 1 . 2]" 1
1480 1 92 LEU HA 2 81 ILE HG12 2.475 . 6.000 4.575 4.246 4.856 . 0 0 "[ . 1 . 2]" 1
1481 1 77 ALA HA 1 81 ILE HG12 2.869 . 3.898 3.686 3.490 3.920 0.022 14 0 "[ . 1 . 2]" 1
1482 2 77 ALA HA 2 81 ILE HG12 2.869 . 3.898 3.686 3.490 3.921 0.023 14 0 "[ . 1 . 2]" 1
1483 1 80 ILE H 1 81 ILE HG12 3.272 . 4.611 4.497 4.351 4.612 0.001 7 0 "[ . 1 . 2]" 1
1484 2 80 ILE H 2 81 ILE HG12 3.272 . 4.611 4.498 4.351 4.613 0.002 7 0 "[ . 1 . 2]" 1
1485 1 84 PHE QB 1 85 LYS QG 2.746 . 3.688 3.104 2.984 3.232 . 0 0 "[ . 1 . 2]" 1
1486 2 84 PHE QB 2 85 LYS QG 2.746 . 3.688 3.104 2.982 3.230 . 0 0 "[ . 1 . 2]" 1
1487 1 84 PHE QB 1 85 LYS HA 2.712 . 6.000 3.838 3.724 4.131 . 0 0 "[ . 1 . 2]" 1
1488 2 84 PHE QB 2 85 LYS HA 2.712 . 6.000 3.838 3.723 4.129 . 0 0 "[ . 1 . 2]" 1
1489 1 85 LYS HA 1 88 LEU MD1 2.447 . 3.195 2.096 1.888 2.191 . 0 0 "[ . 1 . 2]" 1
1490 2 85 LYS HA 2 88 LEU MD1 2.447 . 3.195 2.095 1.889 2.188 . 0 0 "[ . 1 . 2]" 1
1491 1 85 LYS HE3 1 85 LYS HG2 2.970 . 4.073 3.053 2.975 3.114 . 0 0 "[ . 1 . 2]" 1
1492 2 85 LYS HE3 2 85 LYS HG2 2.970 . 4.073 3.053 2.972 3.111 . 0 0 "[ . 1 . 2]" 1
1493 1 86 LYS HA 1 89 ALA H 3.104 . 4.308 3.485 3.298 3.699 . 0 0 "[ . 1 . 2]" 1
1494 2 86 LYS HA 2 89 ALA H 3.104 . 4.308 3.485 3.299 3.698 . 0 0 "[ . 1 . 2]" 1
1495 1 86 LYS HA 1 86 LYS HG2 2.672 . 3.565 3.123 2.405 3.816 0.251 6 0 "[ . 1 . 2]" 1
1496 2 86 LYS HA 2 86 LYS HG2 2.672 . 3.565 3.123 2.404 3.815 0.250 6 0 "[ . 1 . 2]" 1
1497 1 92 LEU HB2 1 92 LEU QD 2.356 . 3.050 2.116 2.109 2.127 . 0 0 "[ . 1 . 2]" 1
1498 2 92 LEU HB2 2 92 LEU QD 2.356 . 3.050 2.116 2.107 2.127 . 0 0 "[ . 1 . 2]" 1
1499 1 89 ALA HA 1 92 LEU HB2 2.657 . 3.539 3.465 3.121 3.947 0.408 19 0 "[ . 1 . 2]" 1
1500 2 89 ALA HA 2 92 LEU HB2 2.657 . 3.539 3.464 3.118 3.942 0.403 19 0 "[ . 1 . 2]" 1
1501 1 89 ALA HA 1 92 LEU MD2 2.611 . 3.463 3.222 2.660 3.537 0.074 16 0 "[ . 1 . 2]" 1
1502 2 89 ALA HA 2 92 LEU MD2 2.611 . 3.463 3.222 2.657 3.530 0.067 16 0 "[ . 1 . 2]" 1
1503 1 89 ALA HA 1 89 ALA MB 2.005 . 2.507 2.130 2.127 2.132 . 0 0 "[ . 1 . 2]" 1
1504 2 89 ALA HA 2 89 ALA MB 2.005 . 2.507 2.130 2.126 2.133 . 0 0 "[ . 1 . 2]" 1
1505 1 90 ALA HA 1 93 ARG QB 2.413 . 3.141 2.862 2.347 3.103 . 0 0 "[ . 1 . 2]" 1
1506 2 90 ALA HA 2 93 ARG QB 2.413 . 3.141 2.862 2.346 3.106 . 0 0 "[ . 1 . 2]" 1
1507 1 90 ALA HA 1 93 ARG QD 3.147 . 4.385 3.298 2.343 4.273 . 0 0 "[ . 1 . 2]" 1
1508 2 90 ALA HA 2 93 ARG QD 3.147 . 4.385 3.299 2.343 4.281 . 0 0 "[ . 1 . 2]" 1
1509 1 92 LEU HA 1 92 LEU QD 3.038 . 4.192 2.157 2.019 3.134 . 0 0 "[ . 1 . 2]" 1
1510 2 92 LEU HA 2 92 LEU QD 3.038 . 4.192 2.157 2.017 3.134 . 0 0 "[ . 1 . 2]" 1
1511 1 92 LEU HA 2 78 MET HA 3.291 . 6.000 5.506 5.251 5.784 . 0 0 "[ . 1 . 2]" 1
1512 1 78 MET HA 2 92 LEU HA 3.291 . 6.000 5.504 5.245 5.805 . 0 0 "[ . 1 . 2]" 1
1513 1 92 LEU HA 1 96 ASN H 2.729 . 6.000 4.441 4.153 4.591 . 0 0 "[ . 1 . 2]" 1
1514 2 92 LEU HA 2 96 ASN H 2.729 . 6.000 4.442 4.152 4.592 . 0 0 "[ . 1 . 2]" 1
1515 1 93 ARG QB 1 93 ARG QD 2.701 . 3.023 2.224 2.089 2.416 . 0 0 "[ . 1 . 2]" 1
1516 2 93 ARG QB 2 93 ARG QD 2.701 . 3.023 2.224 2.091 2.419 . 0 0 "[ . 1 . 2]" 1
1517 1 91 MET H 1 93 ARG QB 2.840 . 6.000 5.055 4.642 5.356 . 0 0 "[ . 1 . 2]" 1
1518 2 91 MET H 2 93 ARG QB 2.840 . 6.000 5.055 4.639 5.358 . 0 0 "[ . 1 . 2]" 1
1519 1 93 ARG QD 1 93 ARG HG2 2.489 . 3.263 2.298 2.167 2.369 . 0 0 "[ . 1 . 2]" 1
1520 2 93 ARG QD 2 93 ARG HG2 2.489 . 3.263 2.297 2.166 2.370 . 0 0 "[ . 1 . 2]" 1
1521 1 90 ALA MB 1 93 ARG QD 2.448 . 6.000 4.337 3.731 4.935 . 0 0 "[ . 1 . 2]" 1
1522 2 90 ALA MB 2 93 ARG QD 2.448 . 6.000 4.339 3.731 4.931 . 0 0 "[ . 1 . 2]" 1
1523 1 94 ILE HA 1 96 ASN QB 3.588 . 6.000 4.722 4.312 5.494 . 0 0 "[ . 1 . 2]" 1
1524 2 94 ILE HA 2 96 ASN QB 3.588 . 6.000 4.723 4.307 5.500 . 0 0 "[ . 1 . 2]" 1
1525 1 94 ILE HB 1 97 ALA H 3.259 . 6.000 5.132 4.972 5.293 . 0 0 "[ . 1 . 2]" 1
1526 2 94 ILE HB 2 97 ALA H 3.259 . 6.000 5.133 4.973 5.291 . 0 0 "[ . 1 . 2]" 1
1527 1 93 ARG HA 1 94 ILE HB 3.138 . 6.000 5.960 5.852 6.038 0.038 18 0 "[ . 1 . 2]" 1
1528 2 93 ARG HA 2 94 ILE HB 3.138 . 6.000 5.960 5.848 6.039 0.039 18 0 "[ . 1 . 2]" 1
1529 1 94 ILE HB 1 94 ILE HG12 2.979 . 4.089 3.029 3.026 3.032 . 0 0 "[ . 1 . 2]" 1
1530 2 94 ILE HB 2 94 ILE HG12 2.979 . 4.089 3.028 3.026 3.031 . 0 0 "[ . 1 . 2]" 1
1531 1 94 ILE HB 1 95 ILE HG13 3.234 . 6.000 5.533 5.249 5.763 . 0 0 "[ . 1 . 2]" 1
1532 2 94 ILE HB 2 95 ILE HG13 3.234 . 6.000 5.533 5.251 5.762 . 0 0 "[ . 1 . 2]" 1
1533 1 94 ILE MD 2 69 TRP HZ2 2.835 . 3.840 3.076 2.783 3.307 . 0 0 "[ . 1 . 2]" 1
1534 1 69 TRP HZ2 2 94 ILE MD 2.835 . 3.840 3.077 2.754 3.328 . 0 0 "[ . 1 . 2]" 1
1535 1 90 ALA HA 1 94 ILE MD 2.709 . 6.000 4.576 4.308 4.796 . 0 0 "[ . 1 . 2]" 1
1536 2 90 ALA HA 2 94 ILE MD 2.709 . 6.000 4.577 4.309 4.797 . 0 0 "[ . 1 . 2]" 1
1537 1 94 ILE HA 1 94 ILE MD 2.822 . 6.000 3.875 3.841 3.908 . 0 0 "[ . 1 . 2]" 1
1538 2 94 ILE HA 2 94 ILE MD 2.822 . 6.000 3.876 3.841 3.911 . 0 0 "[ . 1 . 2]" 1
1539 1 94 ILE HB 1 94 ILE MD 2.540 . 3.347 2.402 2.390 2.412 . 0 0 "[ . 1 . 2]" 1
1540 2 94 ILE HB 2 94 ILE MD 2.540 . 3.347 2.404 2.393 2.413 . 0 0 "[ . 1 . 2]" 1
1541 1 90 ALA MB 1 94 ILE MD 2.811 . 3.798 3.233 2.945 3.454 . 0 0 "[ . 1 . 2]" 1
1542 2 90 ALA MB 2 94 ILE MD 2.811 . 3.798 3.234 2.944 3.457 . 0 0 "[ . 1 . 2]" 1
1543 1 79 GLU HB2 1 80 ILE MD 3.317 . 4.692 4.708 4.432 4.794 0.102 5 0 "[ . 1 . 2]" 1
1544 2 79 GLU HB2 2 80 ILE MD 3.317 . 4.692 4.708 4.434 4.793 0.101 5 0 "[ . 1 . 2]" 1
1545 1 94 ILE MG 1 95 ILE MD 3.275 . 4.616 4.208 3.384 4.521 . 0 0 "[ . 1 . 2]" 1
1546 2 94 ILE MG 2 95 ILE MD 3.275 . 4.616 4.208 3.385 4.519 . 0 0 "[ . 1 . 2]" 1
1547 1 94 ILE HB 1 94 ILE MG 2.453 . 3.205 2.133 2.130 2.137 . 0 0 "[ . 1 . 2]" 1
1548 2 94 ILE HB 2 94 ILE MG 2.453 . 3.205 2.133 2.129 2.137 . 0 0 "[ . 1 . 2]" 1
1549 1 94 ILE HG12 1 94 ILE MG 2.527 . 3.325 2.345 2.304 2.364 . 0 0 "[ . 1 . 2]" 1
1550 2 94 ILE HG12 2 94 ILE MG 2.527 . 3.325 2.346 2.302 2.364 . 0 0 "[ . 1 . 2]" 1
1551 1 94 ILE MD 1 95 ILE HA 3.184 . 6.000 5.988 5.909 6.033 0.033 17 0 "[ . 1 . 2]" 1
1552 2 94 ILE MD 2 95 ILE HA 3.184 . 6.000 5.989 5.914 6.036 0.036 17 0 "[ . 1 . 2]" 1
1553 1 94 ILE HB 1 95 ILE HA 3.588 . 5.197 4.310 4.199 4.381 . 0 0 "[ . 1 . 2]" 1
1554 2 94 ILE HB 2 95 ILE HA 3.588 . 5.197 4.310 4.198 4.382 . 0 0 "[ . 1 . 2]" 1
1555 1 95 ILE HA 1 95 ILE HB 2.553 . 3.368 3.032 3.023 3.039 . 0 0 "[ . 1 . 2]" 1
1556 2 95 ILE HA 2 95 ILE HB 2.553 . 3.368 3.032 3.023 3.037 . 0 0 "[ . 1 . 2]" 1
1557 1 95 ILE HA 1 95 ILE HG12 2.623 . 3.483 2.973 2.845 3.122 . 0 0 "[ . 1 . 2]" 1
1558 2 95 ILE HA 2 95 ILE HG12 2.623 . 3.483 2.974 2.850 3.122 . 0 0 "[ . 1 . 2]" 1
1559 1 95 ILE HA 1 95 ILE MG 2.621 . 3.480 2.347 2.287 2.418 . 0 0 "[ . 1 . 2]" 1
1560 2 95 ILE HA 2 95 ILE MG 2.621 . 3.480 2.346 2.286 2.420 . 0 0 "[ . 1 . 2]" 1
1561 1 95 ILE HA 1 95 ILE MD 2.633 . 3.499 2.136 2.065 2.222 . 0 0 "[ . 1 . 2]" 1
1562 2 95 ILE HA 2 95 ILE MD 2.633 . 3.499 2.136 2.065 2.222 . 0 0 "[ . 1 . 2]" 1
1563 1 95 ILE HA 1 97 ALA H 3.169 . 4.424 4.295 4.031 4.456 0.032 9 0 "[ . 1 . 2]" 1
1564 2 95 ILE HA 2 97 ALA H 3.169 . 4.424 4.295 4.033 4.457 0.033 9 0 "[ . 1 . 2]" 1
1565 1 95 ILE HB 2 77 ALA H 3.469 . 6.000 5.979 5.776 6.085 0.085 13 0 "[ . 1 . 2]" 1
1566 1 77 ALA H 2 95 ILE HB 3.469 . 6.000 5.979 5.766 6.088 0.088 7 0 "[ . 1 . 2]" 1
1567 1 95 ILE HB 1 97 ALA H 3.584 . 5.189 4.792 4.535 5.048 . 0 0 "[ . 1 . 2]" 1
1568 2 95 ILE HB 2 97 ALA H 3.584 . 5.189 4.793 4.535 5.044 . 0 0 "[ . 1 . 2]" 1
1569 1 95 ILE HB 1 95 ILE MD 3.091 . 3.581 3.209 3.202 3.219 . 0 0 "[ . 1 . 2]" 1
1570 2 95 ILE HB 2 95 ILE MD 3.091 . 3.581 3.209 3.202 3.220 . 0 0 "[ . 1 . 2]" 1
1571 1 95 ILE HB 1 95 ILE HG12 2.535 . 3.338 2.538 2.491 2.570 . 0 0 "[ . 1 . 2]" 1
1572 2 95 ILE HB 2 95 ILE HG12 2.535 . 3.338 2.538 2.491 2.566 . 0 0 "[ . 1 . 2]" 1
1573 1 95 ILE HB 1 95 ILE MG 2.314 . 2.983 2.131 2.123 2.138 . 0 0 "[ . 1 . 2]" 1
1574 2 95 ILE HB 2 95 ILE MG 2.314 . 2.983 2.131 2.123 2.138 . 0 0 "[ . 1 . 2]" 1
1575 1 95 ILE HB 1 96 ASN QB 3.261 . 6.000 4.161 3.523 4.723 . 0 0 "[ . 1 . 2]" 1
1576 2 95 ILE HB 2 96 ASN QB 3.261 . 6.000 4.161 3.527 4.722 . 0 0 "[ . 1 . 2]" 1
1577 1 95 ILE HB 1 96 ASN HA 3.489 . 5.010 4.210 4.091 4.360 . 0 0 "[ . 1 . 2]" 1
1578 2 95 ILE HB 2 96 ASN HA 3.489 . 5.010 4.210 4.089 4.359 . 0 0 "[ . 1 . 2]" 1
1579 1 93 ARG HA 1 95 ILE HB 2.719 . 6.000 4.932 4.564 5.381 . 0 0 "[ . 1 . 2]" 1
1580 2 93 ARG HA 2 95 ILE HB 2.719 . 6.000 4.933 4.564 5.381 . 0 0 "[ . 1 . 2]" 1
1581 1 95 ILE MD 2 70 GLY H 3.459 . 4.955 4.418 4.154 4.632 . 0 0 "[ . 1 . 2]" 1
1582 1 70 GLY H 2 95 ILE MD 3.459 . 4.955 4.420 4.153 4.631 . 0 0 "[ . 1 . 2]" 1
1583 1 95 ILE MD 2 69 TRP HD1 3.051 . 4.214 2.696 2.517 2.848 . 0 0 "[ . 1 . 2]" 1
1584 1 69 TRP HD1 2 95 ILE MD 3.051 . 4.214 2.697 2.500 2.841 . 0 0 "[ . 1 . 2]" 1
1585 1 95 ILE MD 2 72 VAL H 3.201 . 4.482 4.033 3.801 4.354 . 0 0 "[ . 1 . 2]" 1
1586 1 72 VAL H 2 95 ILE MD 3.201 . 4.482 4.036 3.818 4.328 . 0 0 "[ . 1 . 2]" 1
1587 1 95 ILE MD 2 72 VAL HA 3.016 . 6.000 5.408 4.919 5.896 . 0 0 "[ . 1 . 2]" 1
1588 1 72 VAL HA 2 95 ILE MD 3.016 . 6.000 5.409 4.952 5.889 . 0 0 "[ . 1 . 2]" 1
1589 1 94 ILE HA 1 95 ILE MD 2.895 . 6.000 5.695 5.307 5.870 . 0 0 "[ . 1 . 2]" 1
1590 2 94 ILE HA 2 95 ILE MD 2.895 . 6.000 5.695 5.307 5.870 . 0 0 "[ . 1 . 2]" 1
1591 1 95 ILE MD 2 70 GLY HA3 3.126 . 4.348 4.521 4.096 4.847 0.499 15 0 "[ . 1 . 2]" 1
1592 1 70 GLY HA3 2 95 ILE MD 3.126 . 4.348 4.522 4.090 4.844 0.496 15 0 "[ . 1 . 2]" 1
1593 1 94 ILE HB 1 95 ILE MD 3.051 . 4.215 4.155 3.678 4.292 0.077 12 0 "[ . 1 . 2]" 1
1594 2 94 ILE HB 2 95 ILE MD 3.051 . 4.215 4.155 3.679 4.291 0.076 12 0 "[ . 1 . 2]" 1
1595 1 95 ILE MD 1 95 ILE HG12 2.237 . 2.863 2.114 2.109 2.117 . 0 0 "[ . 1 . 2]" 1
1596 2 95 ILE MD 2 95 ILE HG12 2.237 . 2.863 2.115 2.110 2.117 . 0 0 "[ . 1 . 2]" 1
1597 1 95 ILE MD 1 95 ILE MG 2.219 . 2.835 1.826 1.780 1.873 . 0 0 "[ . 1 . 2]" 1
1598 2 95 ILE MD 2 95 ILE MG 2.219 . 2.835 1.826 1.776 1.873 . 0 0 "[ . 1 . 2]" 1
1599 1 94 ILE HB 1 95 ILE HG12 2.307 . 6.000 3.775 3.509 4.001 . 0 0 "[ . 1 . 2]" 1
1600 2 94 ILE HB 2 95 ILE HG12 2.307 . 6.000 3.776 3.511 4.001 . 0 0 "[ . 1 . 2]" 1
1601 1 92 LEU HA 1 95 ILE HG12 2.930 . 4.003 2.727 2.402 3.176 . 0 0 "[ . 1 . 2]" 1
1602 2 92 LEU HA 2 95 ILE HG12 2.930 . 4.003 2.727 2.400 3.180 . 0 0 "[ . 1 . 2]" 1
1603 1 95 ILE HG12 2 69 TRP HH2 2.770 . 6.000 5.098 4.833 5.404 . 0 0 "[ . 1 . 2]" 1
1604 1 69 TRP HH2 2 95 ILE HG12 2.770 . 6.000 5.099 4.876 5.412 . 0 0 "[ . 1 . 2]" 1
1605 1 95 ILE MG 2 74 LYS HB3 2.521 . 3.316 2.606 1.909 3.358 0.042 10 0 "[ . 1 . 2]" 1
1606 1 74 LYS HB3 2 95 ILE MG 2.521 . 3.316 2.604 1.911 3.357 0.041 10 0 "[ . 1 . 2]" 1
1607 1 95 ILE MG 1 96 ASN QB 2.592 . 6.000 4.435 3.567 4.890 . 0 0 "[ . 1 . 2]" 1
1608 2 95 ILE MG 2 96 ASN QB 2.592 . 6.000 4.435 3.565 4.891 . 0 0 "[ . 1 . 2]" 1
1609 1 95 ILE MG 1 96 ASN HA 3.101 . 4.303 3.505 3.192 3.705 . 0 0 "[ . 1 . 2]" 1
1610 2 95 ILE MG 2 96 ASN HA 3.101 . 4.303 3.505 3.193 3.702 . 0 0 "[ . 1 . 2]" 1
1611 1 95 ILE MG 2 72 VAL HA 2.770 . 6.000 5.006 4.564 5.710 . 0 0 "[ . 1 . 2]" 1
1612 1 72 VAL HA 2 95 ILE MG 2.770 . 6.000 5.007 4.556 5.723 . 0 0 "[ . 1 . 2]" 1
1613 1 95 ILE MG 1 97 ALA H 3.139 . 6.000 4.913 4.670 5.150 . 0 0 "[ . 1 . 2]" 1
1614 2 95 ILE MG 2 97 ALA H 3.139 . 6.000 4.913 4.673 5.146 . 0 0 "[ . 1 . 2]" 1
1615 1 95 ILE MG 2 72 VAL H 3.534 . 5.095 4.075 3.700 4.473 . 0 0 "[ . 1 . 2]" 1
1616 1 72 VAL H 2 95 ILE MG 3.534 . 5.095 4.078 3.704 4.463 . 0 0 "[ . 1 . 2]" 1
1617 1 97 ALA HA 1 97 ALA MB 2.019 . 2.529 2.126 2.120 2.130 . 0 0 "[ . 1 . 2]" 1
1618 2 97 ALA HA 2 97 ALA MB 2.019 . 2.529 2.126 2.121 2.129 . 0 0 "[ . 1 . 2]" 1
1619 1 96 ASN QB 1 97 ALA HA 3.169 . 4.424 4.020 3.751 4.286 . 0 0 "[ . 1 . 2]" 1
1620 2 96 ASN QB 2 97 ALA HA 3.169 . 4.424 4.022 3.755 4.289 . 0 0 "[ . 1 . 2]" 1
1621 1 97 ALA H 1 97 ALA HA 2.457 . 3.211 2.842 2.802 2.883 . 0 0 "[ . 1 . 2]" 1
1622 2 97 ALA H 2 97 ALA HA 2.457 . 3.211 2.842 2.802 2.882 . 0 0 "[ . 1 . 2]" 1
1623 1 94 ILE MG 1 97 ALA MB 2.680 . 3.578 2.744 2.355 3.246 . 0 0 "[ . 1 . 2]" 1
1624 2 94 ILE MG 2 97 ALA MB 2.680 . 3.578 2.744 2.362 3.250 . 0 0 "[ . 1 . 2]" 1
1625 1 97 ALA MB 1 98 ARG QB 2.739 . 6.000 4.422 3.553 4.894 . 0 0 "[ . 1 . 2]" 1
1626 2 97 ALA MB 2 98 ARG QB 2.739 . 6.000 4.420 3.550 4.891 . 0 0 "[ . 1 . 2]" 1
1627 1 93 ARG QB 1 97 ALA MB 2.808 . 6.000 4.390 3.655 5.011 . 0 0 "[ . 1 . 2]" 1
1628 2 93 ARG QB 2 97 ALA MB 2.808 . 6.000 4.390 3.651 5.007 . 0 0 "[ . 1 . 2]" 1
1629 1 96 ASN QB 1 97 ALA MB 2.946 . 6.000 3.828 3.599 4.216 . 0 0 "[ . 1 . 2]" 1
1630 2 96 ASN QB 2 97 ALA MB 2.946 . 6.000 3.829 3.604 4.213 . 0 0 "[ . 1 . 2]" 1
1631 1 96 ASN H 1 97 ALA MB 3.232 . 4.538 4.291 4.100 4.395 . 0 0 "[ . 1 . 2]" 1
1632 2 96 ASN H 2 97 ALA MB 3.232 . 4.538 4.290 4.093 4.389 . 0 0 "[ . 1 . 2]" 1
1633 1 95 ILE MD 1 97 ALA MB 3.672 . 6.000 5.903 5.637 6.018 0.018 16 0 "[ . 1 . 2]" 1
1634 2 95 ILE MD 2 97 ALA MB 3.672 . 6.000 5.902 5.629 6.018 0.018 12 0 "[ . 1 . 2]" 1
1635 1 99 LYS HA 1 99 LYS QB 2.127 . 2.693 2.340 2.154 2.513 . 0 0 "[ . 1 . 2]" 1
1636 2 99 LYS HA 2 99 LYS QB 2.127 . 2.693 2.339 2.153 2.513 . 0 0 "[ . 1 . 2]" 1
1637 1 50 ILE HA 1 50 ILE MG 2.927 . 3.998 2.623 2.342 3.216 . 0 0 "[ . 1 . 2]" 1
1638 2 50 ILE HA 2 50 ILE MG 2.927 . 3.998 2.623 2.340 3.214 . 0 0 "[ . 1 . 2]" 1
1639 1 47 VAL MG2 1 68 ARG QD 2.675 . 3.570 1.995 1.814 2.279 . 0 0 "[ . 1 . 2]" 1
1640 2 47 VAL MG2 2 68 ARG QD 2.675 . 3.570 1.996 1.815 2.278 . 0 0 "[ . 1 . 2]" 1
1641 1 42 GLY H 1 47 VAL MG2 3.214 . 4.505 4.293 3.532 4.641 0.136 18 0 "[ . 1 . 2]" 1
1642 2 42 GLY H 2 47 VAL MG2 3.214 . 4.505 4.292 3.533 4.643 0.138 18 0 "[ . 1 . 2]" 1
1643 1 53 PHE QB 1 54 LEU HG 3.783 . 5.572 3.054 2.927 3.179 . 0 0 "[ . 1 . 2]" 1
1644 2 53 PHE QB 2 54 LEU HG 3.783 . 5.572 3.054 2.930 3.182 . 0 0 "[ . 1 . 2]" 1
1645 1 44 ILE HA 1 72 VAL H 3.445 . 6.000 5.773 5.183 6.043 0.043 14 0 "[ . 1 . 2]" 1
1646 2 44 ILE HA 2 72 VAL H 3.445 . 6.000 5.773 5.184 6.043 0.043 14 0 "[ . 1 . 2]" 1
1647 1 75 LYS QD 1 79 GLU QG 3.140 . 4.373 3.205 2.381 3.795 . 0 0 "[ . 1 . 2]" 1
1648 2 75 LYS QD 2 79 GLU QG 3.140 . 4.373 3.206 2.378 3.801 . 0 0 "[ . 1 . 2]" 1
1649 1 90 ALA MB 1 94 ILE MG 2.644 . 6.000 5.582 5.323 5.761 . 0 0 "[ . 1 . 2]" 1
1650 2 90 ALA MB 2 94 ILE MG 2.644 . 6.000 5.583 5.319 5.763 . 0 0 "[ . 1 . 2]" 1
1651 1 90 ALA HA 1 90 ALA MB 1.995 . 2.493 2.130 2.128 2.133 . 0 0 "[ . 1 . 2]" 1
1652 2 90 ALA HA 2 90 ALA MB 1.995 . 2.493 2.130 2.128 2.133 . 0 0 "[ . 1 . 2]" 1
1653 1 36 GLY HA2 1 39 LEU QD 3.022 . 4.163 3.844 2.897 5.133 0.970 7 1 "[ . + 1 . 2]" 1
1654 2 36 GLY HA2 2 39 LEU QD 3.022 . 4.163 3.844 2.893 5.138 0.975 7 1 "[ . + 1 . 2]" 1
1655 1 95 ILE HA 2 74 LYS QD 4.000 . 6.000 5.608 3.777 6.160 0.160 1 0 "[ . 1 . 2]" 1
1656 1 74 LYS QD 2 95 ILE HA 4.000 . 6.000 5.606 3.758 6.144 0.144 9 0 "[ . 1 . 2]" 1
1657 1 95 ILE HA 2 74 LYS QE 4.000 . 6.000 5.218 4.117 6.208 0.208 6 0 "[ . 1 . 2]" 1
1658 1 74 LYS QE 2 95 ILE HA 4.000 . 6.000 5.216 4.110 6.213 0.213 6 0 "[ . 1 . 2]" 1
1659 1 95 ILE HA 2 70 GLY H 4.000 . 6.000 5.954 5.517 6.123 0.123 6 0 "[ . 1 . 2]" 1
1660 1 70 GLY H 2 95 ILE HA 4.000 . 6.000 5.957 5.512 6.101 0.101 6 0 "[ . 1 . 2]" 1
1661 1 95 ILE HA 2 69 TRP HD1 4.000 . 6.000 6.143 6.100 6.237 0.237 14 0 "[ . 1 . 2]" 1
1662 1 69 TRP HD1 2 95 ILE HA 4.000 . 6.000 6.145 6.095 6.233 0.233 14 0 "[ . 1 . 2]" 1
1663 1 95 ILE HB 2 78 MET HG3 4.000 . 6.000 5.782 5.213 6.910 0.910 4 3 "[ +- 1 . * 2]" 1
1664 1 78 MET HG3 2 95 ILE HB 4.000 . 6.000 5.778 5.226 6.893 0.893 4 3 "[ +- 1 . * 2]" 1
1665 1 95 ILE MD 2 72 VAL QG 4.000 . 6.000 3.089 2.836 3.455 . 0 0 "[ . 1 . 2]" 1
1666 1 72 VAL QG 2 95 ILE MD 4.000 . 6.000 3.089 2.806 3.451 . 0 0 "[ . 1 . 2]" 1
1667 1 95 ILE MD 2 66 ILE MG 4.000 . 6.000 5.622 5.319 5.994 . 0 0 "[ . 1 . 2]" 1
1668 1 66 ILE MG 2 95 ILE MD 4.000 . 6.000 5.624 5.311 6.019 0.019 1 0 "[ . 1 . 2]" 1
1669 1 95 ILE MD 2 48 LEU QB 4.000 . 6.000 5.185 4.791 5.654 . 0 0 "[ . 1 . 2]" 1
1670 1 48 LEU QB 2 95 ILE MD 4.000 . 6.000 5.185 4.795 5.649 . 0 0 "[ . 1 . 2]" 1
1671 1 95 ILE MD 2 51 LEU QB 4.000 . 6.000 5.254 5.016 5.435 . 0 0 "[ . 1 . 2]" 1
1672 1 51 LEU QB 2 95 ILE MD 4.000 . 6.000 5.255 5.012 5.430 . 0 0 "[ . 1 . 2]" 1
1673 1 95 ILE MD 2 47 VAL HB 4.000 . 6.000 5.952 5.692 6.072 0.072 5 0 "[ . 1 . 2]" 1
1674 1 47 VAL HB 2 95 ILE MD 4.000 . 6.000 5.953 5.681 6.071 0.071 5 0 "[ . 1 . 2]" 1
1675 1 95 ILE MD 2 66 ILE HA 4.000 . 6.000 5.794 5.494 6.012 0.012 10 0 "[ . 1 . 2]" 1
1676 1 66 ILE HA 2 95 ILE MD 4.000 . 6.000 5.796 5.501 6.021 0.021 1 0 "[ . 1 . 2]" 1
1677 1 95 ILE QG 2 77 ALA HA 4.000 . 6.000 4.838 4.535 5.316 . 0 0 "[ . 1 . 2]" 1
1678 1 77 ALA HA 2 95 ILE QG 4.000 . 6.000 4.837 4.528 5.310 . 0 0 "[ . 1 . 2]" 1
1679 1 95 ILE QG 2 69 TRP HH2 4.000 . 6.000 4.951 4.708 5.228 . 0 0 "[ . 1 . 2]" 1
1680 1 69 TRP HH2 2 95 ILE QG 4.000 . 6.000 4.952 4.749 5.236 . 0 0 "[ . 1 . 2]" 1
1681 1 95 ILE QG 2 69 TRP HZ2 4.000 . 6.000 3.485 3.252 3.902 . 0 0 "[ . 1 . 2]" 1
1682 1 69 TRP HZ2 2 95 ILE QG 4.000 . 6.000 3.487 3.228 3.880 . 0 0 "[ . 1 . 2]" 1
1683 1 95 ILE QG 2 69 TRP HE3 4.000 . 6.000 6.015 5.832 6.119 0.119 12 0 "[ . 1 . 2]" 1
1684 1 69 TRP HE3 2 95 ILE QG 4.000 . 6.000 6.017 5.873 6.127 0.127 12 0 "[ . 1 . 2]" 1
1685 1 95 ILE MG 2 77 ALA H 4.000 . 6.000 4.054 3.725 4.375 . 0 0 "[ . 1 . 2]" 1
1686 1 77 ALA H 2 95 ILE MG 4.000 . 6.000 4.053 3.740 4.399 . 0 0 "[ . 1 . 2]" 1
1687 1 95 ILE MG 2 70 GLY H 4.000 . 6.000 5.436 5.033 5.707 . 0 0 "[ . 1 . 2]" 1
1688 1 70 GLY H 2 95 ILE MG 4.000 . 6.000 5.439 5.019 5.707 . 0 0 "[ . 1 . 2]" 1
1689 1 95 ILE MG 2 69 TRP HD1 4.000 . 6.000 5.130 4.809 5.446 . 0 0 "[ . 1 . 2]" 1
1690 1 69 TRP HD1 2 95 ILE MG 4.000 . 6.000 5.131 4.809 5.451 . 0 0 "[ . 1 . 2]" 1
1691 1 95 ILE MG 2 69 TRP HE3 4.000 . 6.000 6.164 6.096 6.252 0.252 15 0 "[ . 1 . 2]" 1
1692 1 69 TRP HE3 2 95 ILE MG 4.000 . 6.000 6.165 6.080 6.259 0.259 14 0 "[ . 1 . 2]" 1
1693 1 95 ILE MG 2 77 ALA MB 4.000 . 6.000 2.207 1.923 2.579 . 0 0 "[ . 1 . 2]" 1
1694 1 77 ALA MB 2 95 ILE MG 4.000 . 6.000 2.205 1.936 2.574 . 0 0 "[ . 1 . 2]" 1
1695 1 45 ARG QB 2 56 PHE QB 4.000 . 6.000 4.103 3.458 5.334 . 0 0 "[ . 1 . 2]" 1
1696 1 56 PHE QB 2 45 ARG QB 4.000 . 6.000 4.103 3.463 5.344 . 0 0 "[ . 1 . 2]" 1
1697 1 47 VAL QG 1 68 ARG H 4.000 . 6.000 3.912 3.681 4.352 . 0 0 "[ . 1 . 2]" 1
1698 2 47 VAL QG 2 68 ARG H 4.000 . 6.000 3.912 3.677 4.351 . 0 0 "[ . 1 . 2]" 1
1699 1 47 VAL QG 1 69 TRP HD1 4.000 . 6.000 3.028 2.595 3.601 . 0 0 "[ . 1 . 2]" 1
1700 2 47 VAL QG 2 69 TRP HD1 4.000 . 6.000 3.028 2.595 3.602 . 0 0 "[ . 1 . 2]" 1
1701 1 47 VAL QG 1 68 ARG QD 4.000 . 6.000 1.980 1.805 2.254 . 0 0 "[ . 1 . 2]" 1
1702 1 48 LEU HG 1 69 TRP HD1 4.000 . 6.000 3.992 2.658 5.344 . 0 0 "[ . 1 . 2]" 1
1703 2 48 LEU HG 2 69 TRP HD1 4.000 . 6.000 3.991 2.657 5.343 . 0 0 "[ . 1 . 2]" 1
1704 1 49 ALA MB 2 56 PHE QB 4.000 . 6.000 1.998 1.825 2.157 . 0 0 "[ . 1 . 2]" 1
1705 1 56 PHE QB 2 49 ALA MB 4.000 . 6.000 1.996 1.834 2.162 . 0 0 "[ . 1 . 2]" 1
1706 1 51 LEU HG 2 88 LEU MD2 4.000 . 6.000 5.560 4.822 6.045 0.045 8 0 "[ . 1 . 2]" 1
1707 1 88 LEU MD2 2 51 LEU HG 4.000 . 6.000 5.559 4.819 6.047 0.047 8 0 "[ . 1 . 2]" 1
1708 1 51 LEU QD 2 94 ILE QG 4.000 . 6.000 5.908 5.696 6.049 0.049 1 0 "[ . 1 . 2]" 1
1709 1 94 ILE QG 2 51 LEU QD 4.000 . 6.000 5.908 5.692 6.057 0.057 1 0 "[ . 1 . 2]" 1
1710 1 92 LEU HG 2 81 ILE QG 4.000 . 6.000 4.362 3.820 4.848 . 0 0 "[ . 1 . 2]" 1
1711 1 81 ILE QG 2 92 LEU HG 4.000 . 6.000 4.364 3.834 4.860 . 0 0 "[ . 1 . 2]" 1
1712 1 92 LEU QB 2 81 ILE HB 4.000 . 6.000 3.681 3.420 4.007 . 0 0 "[ . 1 . 2]" 1
1713 1 81 ILE HB 2 92 LEU QB 4.000 . 6.000 3.681 3.420 4.000 . 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 144
_Distance_constraint_stats_list.Viol_count 541
_Distance_constraint_stats_list.Viol_total 359.173
_Distance_constraint_stats_list.Viol_max 0.146
_Distance_constraint_stats_list.Viol_rms 0.0175
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0062
_Distance_constraint_stats_list.Viol_average_violations_only 0.0332
_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 35 ALA 0.271 0.091 14 0 "[ . 1 . 2]"
1 36 GLY 0.188 0.100 11 0 "[ . 1 . 2]"
1 39 LEU 0.271 0.091 14 0 "[ . 1 . 2]"
1 40 GLY 0.188 0.100 11 0 "[ . 1 . 2]"
1 43 PRO 0.002 0.002 9 0 "[ . 1 . 2]"
1 44 ILE 1.351 0.144 9 0 "[ . 1 . 2]"
1 45 ARG 1.020 0.089 1 0 "[ . 1 . 2]"
1 46 MET 0.241 0.049 11 0 "[ . 1 . 2]"
1 47 VAL 0.002 0.002 9 0 "[ . 1 . 2]"
1 48 LEU 1.377 0.144 9 0 "[ . 1 . 2]"
1 49 ALA 1.048 0.089 1 0 "[ . 1 . 2]"
1 50 ILE 0.241 0.049 11 0 "[ . 1 . 2]"
1 51 LEU 0.474 0.140 6 0 "[ . 1 . 2]"
1 52 ALA 0.032 0.026 2 0 "[ . 1 . 2]"
1 53 PHE 0.116 0.038 20 0 "[ . 1 . 2]"
1 54 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ARG 0.474 0.140 6 0 "[ . 1 . 2]"
1 56 PHE 0.007 0.007 13 0 "[ . 1 . 2]"
1 57 THR 0.088 0.038 20 0 "[ . 1 . 2]"
1 62 SER 0.274 0.043 17 0 "[ . 1 . 2]"
1 63 LEU 0.056 0.024 5 0 "[ . 1 . 2]"
1 64 GLY 1.340 0.110 7 0 "[ . 1 . 2]"
1 65 LEU 0.211 0.042 7 0 "[ . 1 . 2]"
1 66 ILE 0.274 0.043 17 0 "[ . 1 . 2]"
1 67 ASN 0.056 0.024 5 0 "[ . 1 . 2]"
1 68 ARG 1.340 0.110 7 0 "[ . 1 . 2]"
1 69 TRP 0.211 0.042 7 0 "[ . 1 . 2]"
1 75 LYS 0.671 0.077 14 0 "[ . 1 . 2]"
1 76 GLU 0.063 0.025 1 0 "[ . 1 . 2]"
1 77 ALA 0.020 0.010 8 0 "[ . 1 . 2]"
1 78 MET 0.074 0.035 4 0 "[ . 1 . 2]"
1 79 GLU 0.761 0.077 14 0 "[ . 1 . 2]"
1 80 ILE 0.220 0.042 5 0 "[ . 1 . 2]"
1 81 ILE 0.020 0.010 8 0 "[ . 1 . 2]"
1 82 LYS 0.476 0.061 14 0 "[ . 1 . 2]"
1 83 LYS 0.099 0.053 19 0 "[ . 1 . 2]"
1 84 PHE 0.157 0.042 5 0 "[ . 1 . 2]"
1 85 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 LYS 0.534 0.061 14 0 "[ . 1 . 2]"
1 87 ASP 0.026 0.016 19 0 "[ . 1 . 2]"
1 88 LEU 0.006 0.006 17 0 "[ . 1 . 2]"
1 89 ALA 0.161 0.030 10 0 "[ . 1 . 2]"
1 90 ALA 0.536 0.064 6 0 "[ . 1 . 2]"
1 91 MET 0.016 0.016 19 0 "[ . 1 . 2]"
1 92 LEU 0.932 0.102 9 0 "[ . 1 . 2]"
1 93 ARG 0.425 0.053 4 0 "[ . 1 . 2]"
1 94 ILE 0.404 0.064 6 0 "[ . 1 . 2]"
1 95 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 ASN 0.926 0.102 9 0 "[ . 1 . 2]"
1 97 ALA 0.264 0.053 4 0 "[ . 1 . 2]"
2 35 ALA 0.262 0.093 14 0 "[ . 1 . 2]"
2 36 GLY 0.175 0.101 11 0 "[ . 1 . 2]"
2 39 LEU 0.262 0.093 14 0 "[ . 1 . 2]"
2 40 GLY 0.175 0.101 11 0 "[ . 1 . 2]"
2 43 PRO 0.003 0.003 9 0 "[ . 1 . 2]"
2 44 ILE 1.361 0.146 9 0 "[ . 1 . 2]"
2 45 ARG 1.034 0.091 1 0 "[ . 1 . 2]"
2 46 MET 0.236 0.048 11 0 "[ . 1 . 2]"
2 47 VAL 0.003 0.003 9 0 "[ . 1 . 2]"
2 48 LEU 1.387 0.146 9 0 "[ . 1 . 2]"
2 49 ALA 1.063 0.091 1 0 "[ . 1 . 2]"
2 50 ILE 0.236 0.048 11 0 "[ . 1 . 2]"
2 51 LEU 0.484 0.140 6 0 "[ . 1 . 2]"
2 52 ALA 0.028 0.026 2 0 "[ . 1 . 2]"
2 53 PHE 0.124 0.042 20 0 "[ . 1 . 2]"
2 54 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 55 ARG 0.484 0.140 6 0 "[ . 1 . 2]"
2 56 PHE 0.002 0.002 13 0 "[ . 1 . 2]"
2 57 THR 0.095 0.042 20 0 "[ . 1 . 2]"
2 62 SER 0.279 0.043 17 0 "[ . 1 . 2]"
2 63 LEU 0.060 0.021 5 0 "[ . 1 . 2]"
2 64 GLY 1.342 0.106 7 0 "[ . 1 . 2]"
2 65 LEU 0.207 0.040 7 0 "[ . 1 . 2]"
2 66 ILE 0.279 0.043 17 0 "[ . 1 . 2]"
2 67 ASN 0.060 0.021 5 0 "[ . 1 . 2]"
2 68 ARG 1.342 0.106 7 0 "[ . 1 . 2]"
2 69 TRP 0.207 0.040 7 0 "[ . 1 . 2]"
2 75 LYS 0.681 0.078 2 0 "[ . 1 . 2]"
2 76 GLU 0.068 0.026 1 0 "[ . 1 . 2]"
2 77 ALA 0.020 0.011 8 0 "[ . 1 . 2]"
2 78 MET 0.062 0.026 1 0 "[ . 1 . 2]"
2 79 GLU 0.780 0.078 2 0 "[ . 1 . 2]"
2 80 ILE 0.217 0.042 5 0 "[ . 1 . 2]"
2 81 ILE 0.020 0.011 8 0 "[ . 1 . 2]"
2 82 LYS 0.449 0.059 14 0 "[ . 1 . 2]"
2 83 LYS 0.099 0.054 19 0 "[ . 1 . 2]"
2 84 PHE 0.149 0.042 5 0 "[ . 1 . 2]"
2 85 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 86 LYS 0.503 0.059 14 0 "[ . 1 . 2]"
2 87 ASP 0.019 0.019 19 0 "[ . 1 . 2]"
2 88 LEU 0.005 0.005 17 0 "[ . 1 . 2]"
2 89 ALA 0.172 0.031 10 0 "[ . 1 . 2]"
2 90 ALA 0.530 0.063 8 0 "[ . 1 . 2]"
2 91 MET 0.019 0.019 19 0 "[ . 1 . 2]"
2 92 LEU 0.938 0.102 7 0 "[ . 1 . 2]"
2 93 ARG 0.440 0.049 19 0 "[ . 1 . 2]"
2 94 ILE 0.413 0.063 8 0 "[ . 1 . 2]"
2 95 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 96 ASN 0.933 0.102 7 0 "[ . 1 . 2]"
2 97 ALA 0.268 0.049 19 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 35 ALA O 1 39 LEU H 1.800 . 2.200 2.077 1.893 2.291 0.091 14 0 "[ . 1 . 2]" 2
2 2 35 ALA O 2 39 LEU H 1.800 . 2.200 2.075 1.893 2.293 0.093 14 0 "[ . 1 . 2]" 2
3 1 35 ALA O 1 39 LEU N 2.800 2.700 3.200 3.006 2.851 3.221 0.021 14 0 "[ . 1 . 2]" 2
4 2 35 ALA O 2 39 LEU N 2.800 2.700 3.200 3.005 2.855 3.219 0.019 14 0 "[ . 1 . 2]" 2
5 1 36 GLY O 1 40 GLY H 1.800 . 2.200 2.121 1.771 2.300 0.100 11 0 "[ . 1 . 2]" 2
6 2 36 GLY O 2 40 GLY H 1.800 . 2.200 2.119 1.775 2.301 0.101 11 0 "[ . 1 . 2]" 2
7 1 36 GLY O 1 40 GLY N 2.800 2.700 3.200 2.825 2.681 2.904 0.019 7 0 "[ . 1 . 2]" 2
8 2 36 GLY O 2 40 GLY N 2.800 2.700 3.200 2.825 2.683 2.907 0.017 7 0 "[ . 1 . 2]" 2
9 1 43 PRO O 1 47 VAL H 1.800 . 2.200 1.994 1.853 2.181 . 0 0 "[ . 1 . 2]" 2
10 2 43 PRO O 2 47 VAL H 1.800 . 2.200 1.994 1.854 2.180 . 0 0 "[ . 1 . 2]" 2
11 1 43 PRO O 1 47 VAL N 2.800 2.700 3.200 2.859 2.698 3.064 0.002 9 0 "[ . 1 . 2]" 2
12 2 43 PRO O 2 47 VAL N 2.800 2.700 3.200 2.859 2.697 3.065 0.003 9 0 "[ . 1 . 2]" 2
13 1 44 ILE O 1 48 LEU H 1.800 . 2.200 2.255 2.195 2.344 0.144 9 0 "[ . 1 . 2]" 2
14 2 44 ILE O 2 48 LEU H 1.800 . 2.200 2.255 2.196 2.346 0.146 9 0 "[ . 1 . 2]" 2
15 1 44 ILE O 1 48 LEU N 2.800 2.700 3.200 3.195 3.144 3.275 0.075 9 0 "[ . 1 . 2]" 2
16 2 44 ILE O 2 48 LEU N 2.800 2.700 3.200 3.195 3.146 3.276 0.076 9 0 "[ . 1 . 2]" 2
17 1 45 ARG O 1 49 ALA H 1.800 . 2.200 2.249 2.203 2.289 0.089 1 0 "[ . 1 . 2]" 2
18 2 45 ARG O 2 49 ALA H 1.800 . 2.200 2.250 2.198 2.291 0.091 1 0 "[ . 1 . 2]" 2
19 1 45 ARG O 1 49 ALA N 2.800 2.700 3.200 3.151 3.053 3.214 0.014 14 0 "[ . 1 . 2]" 2
20 2 45 ARG O 2 49 ALA N 2.800 2.700 3.200 3.151 3.051 3.216 0.016 14 0 "[ . 1 . 2]" 2
21 1 46 MET O 1 50 ILE H 1.800 . 2.200 1.755 1.682 1.866 0.018 11 0 "[ . 1 . 2]" 2
22 2 46 MET O 2 50 ILE H 1.800 . 2.200 1.755 1.683 1.867 0.017 11 0 "[ . 1 . 2]" 2
23 1 46 MET O 1 50 ILE N 2.800 2.700 3.200 2.721 2.651 2.836 0.049 11 0 "[ . 1 . 2]" 2
24 2 46 MET O 2 50 ILE N 2.800 2.700 3.200 2.722 2.652 2.835 0.048 11 0 "[ . 1 . 2]" 2
25 1 47 VAL O 1 51 LEU H 1.800 . 2.200 1.964 1.820 2.139 . 0 0 "[ . 1 . 2]" 2
26 2 47 VAL O 2 51 LEU H 1.800 . 2.200 1.964 1.821 2.142 . 0 0 "[ . 1 . 2]" 2
27 1 47 VAL O 1 51 LEU N 2.800 2.700 3.200 2.824 2.702 2.941 . 0 0 "[ . 1 . 2]" 2
28 2 47 VAL O 2 51 LEU N 2.800 2.700 3.200 2.824 2.705 2.944 . 0 0 "[ . 1 . 2]" 2
29 1 48 LEU O 1 52 ALA H 1.800 . 2.200 2.034 1.901 2.226 0.026 2 0 "[ . 1 . 2]" 2
30 2 48 LEU O 2 52 ALA H 1.800 . 2.200 2.033 1.900 2.226 0.026 2 0 "[ . 1 . 2]" 2
31 1 48 LEU O 1 52 ALA N 2.800 2.700 3.200 3.003 2.873 3.193 . 0 0 "[ . 1 . 2]" 2
32 2 48 LEU O 2 52 ALA N 2.800 2.700 3.200 3.002 2.872 3.193 . 0 0 "[ . 1 . 2]" 2
33 1 49 ALA O 1 53 PHE H 1.800 . 2.200 2.066 1.939 2.228 0.028 16 0 "[ . 1 . 2]" 2
34 2 49 ALA O 2 53 PHE H 1.800 . 2.200 2.065 1.943 2.229 0.029 16 0 "[ . 1 . 2]" 2
35 1 49 ALA O 1 53 PHE N 2.800 2.700 3.200 3.013 2.892 3.187 . 0 0 "[ . 1 . 2]" 2
36 2 49 ALA O 2 53 PHE N 2.800 2.700 3.200 3.012 2.893 3.188 . 0 0 "[ . 1 . 2]" 2
37 1 50 ILE O 1 54 LEU H 1.800 . 2.200 1.897 1.773 2.106 . 0 0 "[ . 1 . 2]" 2
38 2 50 ILE O 2 54 LEU H 1.800 . 2.200 1.897 1.776 2.108 . 0 0 "[ . 1 . 2]" 2
39 1 50 ILE O 1 54 LEU N 2.800 2.700 3.200 2.867 2.734 3.086 . 0 0 "[ . 1 . 2]" 2
40 2 50 ILE O 2 54 LEU N 2.800 2.700 3.200 2.866 2.736 3.086 . 0 0 "[ . 1 . 2]" 2
41 1 51 LEU O 1 55 ARG H 1.800 . 2.200 2.140 1.828 2.340 0.140 6 0 "[ . 1 . 2]" 2
42 2 51 LEU O 2 55 ARG H 1.800 . 2.200 2.140 1.824 2.340 0.140 6 0 "[ . 1 . 2]" 2
43 1 51 LEU O 1 55 ARG N 2.800 2.700 3.200 2.796 2.700 2.916 . 0 0 "[ . 1 . 2]" 2
44 2 51 LEU O 2 55 ARG N 2.800 2.700 3.200 2.797 2.699 2.919 0.001 15 0 "[ . 1 . 2]" 2
45 1 52 ALA O 1 56 PHE H 1.800 . 2.200 2.017 1.783 2.207 0.007 13 0 "[ . 1 . 2]" 2
46 2 52 ALA O 2 56 PHE H 1.800 . 2.200 2.017 1.784 2.202 0.002 13 0 "[ . 1 . 2]" 2
47 1 52 ALA O 1 56 PHE N 2.800 2.700 3.200 2.925 2.756 3.019 . 0 0 "[ . 1 . 2]" 2
48 2 52 ALA O 2 56 PHE N 2.800 2.700 3.200 2.925 2.756 3.022 . 0 0 "[ . 1 . 2]" 2
49 1 53 PHE O 1 57 THR H 1.800 . 2.200 1.930 1.748 2.238 0.038 20 0 "[ . 1 . 2]" 2
50 2 53 PHE O 2 57 THR H 1.800 . 2.200 1.932 1.744 2.242 0.042 20 0 "[ . 1 . 2]" 2
51 1 53 PHE O 1 57 THR N 2.800 2.700 3.200 2.767 2.680 2.928 0.020 13 0 "[ . 1 . 2]" 2
52 2 53 PHE O 2 57 THR N 2.800 2.700 3.200 2.768 2.677 2.927 0.023 13 0 "[ . 1 . 2]" 2
53 1 62 SER O 1 66 ILE H 1.800 . 2.200 2.169 1.939 2.243 0.043 17 0 "[ . 1 . 2]" 2
54 2 62 SER O 2 66 ILE H 1.800 . 2.200 2.168 1.938 2.243 0.043 17 0 "[ . 1 . 2]" 2
55 1 62 SER O 1 66 ILE N 2.800 2.700 3.200 3.112 2.871 3.202 0.002 17 0 "[ . 1 . 2]" 2
56 2 62 SER O 2 66 ILE N 2.800 2.700 3.200 3.112 2.869 3.201 0.001 17 0 "[ . 1 . 2]" 2
57 1 63 LEU O 1 67 ASN H 1.800 . 2.200 1.918 1.739 2.183 . 0 0 "[ . 1 . 2]" 2
58 2 63 LEU O 2 67 ASN H 1.800 . 2.200 1.920 1.734 2.175 . 0 0 "[ . 1 . 2]" 2
59 1 63 LEU O 1 67 ASN N 2.800 2.700 3.200 2.774 2.676 2.971 0.024 5 0 "[ . 1 . 2]" 2
60 2 63 LEU O 2 67 ASN N 2.800 2.700 3.200 2.775 2.679 2.965 0.021 5 0 "[ . 1 . 2]" 2
61 1 64 GLY O 1 68 ARG H 1.800 . 2.200 2.266 2.209 2.310 0.110 7 0 "[ . 1 . 2]" 2
62 2 64 GLY O 2 68 ARG H 1.800 . 2.200 2.266 2.214 2.306 0.106 7 0 "[ . 1 . 2]" 2
63 1 64 GLY O 1 68 ARG N 2.800 2.700 3.200 3.167 3.087 3.211 0.011 7 0 "[ . 1 . 2]" 2
64 2 64 GLY O 2 68 ARG N 2.800 2.700 3.200 3.168 3.093 3.212 0.012 7 0 "[ . 1 . 2]" 2
65 1 65 LEU O 1 69 TRP H 1.800 . 2.200 1.973 1.798 2.203 0.003 13 0 "[ . 1 . 2]" 2
66 2 65 LEU O 2 69 TRP H 1.800 . 2.200 1.974 1.795 2.202 0.002 1 0 "[ . 1 . 2]" 2
67 1 65 LEU O 1 69 TRP N 2.800 2.700 3.200 2.702 2.658 2.759 0.042 7 0 "[ . 1 . 2]" 2
68 2 65 LEU O 2 69 TRP N 2.800 2.700 3.200 2.702 2.660 2.759 0.040 7 0 "[ . 1 . 2]" 2
69 1 75 LYS O 1 79 GLU H 1.800 . 2.200 2.233 2.200 2.277 0.077 14 0 "[ . 1 . 2]" 2
70 2 75 LYS O 2 79 GLU H 1.800 . 2.200 2.234 2.204 2.278 0.078 2 0 "[ . 1 . 2]" 2
71 1 75 LYS O 1 79 GLU N 2.800 2.700 3.200 3.154 3.089 3.203 0.003 2 0 "[ . 1 . 2]" 2
72 2 75 LYS O 2 79 GLU N 2.800 2.700 3.200 3.155 3.091 3.206 0.006 2 0 "[ . 1 . 2]" 2
73 1 76 GLU O 1 80 ILE H 1.800 . 2.200 1.818 1.707 2.025 . 0 0 "[ . 1 . 2]" 2
74 2 76 GLU O 2 80 ILE H 1.800 . 2.200 1.819 1.703 2.024 . 0 0 "[ . 1 . 2]" 2
75 1 76 GLU O 1 80 ILE N 2.800 2.700 3.200 2.767 2.675 2.985 0.025 1 0 "[ . 1 . 2]" 2
76 2 76 GLU O 2 80 ILE N 2.800 2.700 3.200 2.769 2.674 2.984 0.026 1 0 "[ . 1 . 2]" 2
77 1 77 ALA O 1 81 ILE H 1.800 . 2.200 1.788 1.710 1.916 . 0 0 "[ . 1 . 2]" 2
78 2 77 ALA O 2 81 ILE H 1.800 . 2.200 1.788 1.713 1.915 . 0 0 "[ . 1 . 2]" 2
79 1 77 ALA O 1 81 ILE N 2.800 2.700 3.200 2.763 2.690 2.872 0.010 8 0 "[ . 1 . 2]" 2
80 2 77 ALA O 2 81 ILE N 2.800 2.700 3.200 2.763 2.689 2.871 0.011 8 0 "[ . 1 . 2]" 2
81 1 78 MET O 1 82 LYS H 1.800 . 2.200 2.090 1.964 2.235 0.035 4 0 "[ . 1 . 2]" 2
82 2 78 MET O 2 82 LYS H 1.800 . 2.200 2.090 1.966 2.226 0.026 1 0 "[ . 1 . 2]" 2
83 1 78 MET O 1 82 LYS N 2.800 2.700 3.200 2.982 2.862 3.114 . 0 0 "[ . 1 . 2]" 2
84 2 78 MET O 2 82 LYS N 2.800 2.700 3.200 2.980 2.856 3.114 . 0 0 "[ . 1 . 2]" 2
85 1 79 GLU O 1 83 LYS H 1.800 . 2.200 2.083 1.951 2.253 0.053 19 0 "[ . 1 . 2]" 2
86 2 79 GLU O 2 83 LYS H 1.800 . 2.200 2.082 1.945 2.254 0.054 19 0 "[ . 1 . 2]" 2
87 1 79 GLU O 1 83 LYS N 2.800 2.700 3.200 3.036 2.900 3.202 0.002 19 0 "[ . 1 . 2]" 2
88 2 79 GLU O 2 83 LYS N 2.800 2.700 3.200 3.035 2.896 3.203 0.003 19 0 "[ . 1 . 2]" 2
89 1 80 ILE O 1 84 PHE H 1.800 . 2.200 1.835 1.745 2.018 . 0 0 "[ . 1 . 2]" 2
90 2 80 ILE O 2 84 PHE H 1.800 . 2.200 1.836 1.747 2.019 . 0 0 "[ . 1 . 2]" 2
91 1 80 ILE O 1 84 PHE N 2.800 2.700 3.200 2.714 2.658 2.859 0.042 5 0 "[ . 1 . 2]" 2
92 2 80 ILE O 2 84 PHE N 2.800 2.700 3.200 2.715 2.658 2.860 0.042 5 0 "[ . 1 . 2]" 2
93 1 81 ILE O 1 85 LYS H 1.800 . 2.200 1.908 1.770 2.032 . 0 0 "[ . 1 . 2]" 2
94 2 81 ILE O 2 85 LYS H 1.800 . 2.200 1.909 1.777 2.033 . 0 0 "[ . 1 . 2]" 2
95 1 81 ILE O 1 85 LYS N 2.800 2.700 3.200 2.881 2.751 2.999 . 0 0 "[ . 1 . 2]" 2
96 2 81 ILE O 2 85 LYS N 2.800 2.700 3.200 2.882 2.757 3.001 . 0 0 "[ . 1 . 2]" 2
97 1 82 LYS O 1 86 LYS H 1.800 . 2.200 2.191 2.035 2.261 0.061 14 0 "[ . 1 . 2]" 2
98 2 82 LYS O 2 86 LYS H 1.800 . 2.200 2.190 2.031 2.259 0.059 14 0 "[ . 1 . 2]" 2
99 1 82 LYS O 1 86 LYS N 2.800 2.700 3.200 3.070 2.939 3.190 . 0 0 "[ . 1 . 2]" 2
100 2 82 LYS O 2 86 LYS N 2.800 2.700 3.200 3.069 2.935 3.188 . 0 0 "[ . 1 . 2]" 2
101 1 83 LYS O 1 87 ASP H 1.800 . 2.200 1.998 1.775 2.210 0.010 7 0 "[ . 1 . 2]" 2
102 2 83 LYS O 2 87 ASP H 1.800 . 2.200 1.997 1.767 2.200 0.000 7 0 "[ . 1 . 2]" 2
103 1 83 LYS O 1 87 ASP N 2.800 2.700 3.200 2.919 2.751 3.111 . 0 0 "[ . 1 . 2]" 2
104 2 83 LYS O 2 87 ASP N 2.800 2.700 3.200 2.920 2.745 3.113 . 0 0 "[ . 1 . 2]" 2
105 1 84 PHE O 1 88 LEU H 1.800 . 2.200 1.979 1.894 2.055 . 0 0 "[ . 1 . 2]" 2
106 2 84 PHE O 2 88 LEU H 1.800 . 2.200 1.980 1.892 2.055 . 0 0 "[ . 1 . 2]" 2
107 1 84 PHE O 1 88 LEU N 2.800 2.700 3.200 2.917 2.827 2.989 . 0 0 "[ . 1 . 2]" 2
108 2 84 PHE O 2 88 LEU N 2.800 2.700 3.200 2.918 2.825 2.987 . 0 0 "[ . 1 . 2]" 2
109 1 85 LYS O 1 89 ALA H 1.800 . 2.200 2.021 1.920 2.152 . 0 0 "[ . 1 . 2]" 2
110 2 85 LYS O 2 89 ALA H 1.800 . 2.200 2.021 1.923 2.161 . 0 0 "[ . 1 . 2]" 2
111 1 85 LYS O 1 89 ALA N 2.800 2.700 3.200 2.921 2.829 3.027 . 0 0 "[ . 1 . 2]" 2
112 2 85 LYS O 2 89 ALA N 2.800 2.700 3.200 2.920 2.829 3.032 . 0 0 "[ . 1 . 2]" 2
113 1 86 LYS O 1 90 ALA H 1.800 . 2.200 2.138 1.961 2.241 0.041 16 0 "[ . 1 . 2]" 2
114 2 86 LYS O 2 90 ALA H 1.800 . 2.200 2.138 1.958 2.245 0.045 20 0 "[ . 1 . 2]" 2
115 1 86 LYS O 1 90 ALA N 2.800 2.700 3.200 3.058 2.900 3.162 . 0 0 "[ . 1 . 2]" 2
116 2 86 LYS O 2 90 ALA N 2.800 2.700 3.200 3.058 2.887 3.158 . 0 0 "[ . 1 . 2]" 2
117 1 87 ASP O 1 91 MET H 1.800 . 2.200 1.872 1.767 1.982 . 0 0 "[ . 1 . 2]" 2
118 2 87 ASP O 2 91 MET H 1.800 . 2.200 1.871 1.762 1.978 . 0 0 "[ . 1 . 2]" 2
119 1 87 ASP O 1 91 MET N 2.800 2.700 3.200 2.827 2.684 2.955 0.016 19 0 "[ . 1 . 2]" 2
120 2 87 ASP O 2 91 MET N 2.800 2.700 3.200 2.826 2.681 2.954 0.019 19 0 "[ . 1 . 2]" 2
121 1 88 LEU O 1 92 LEU H 1.800 . 2.200 1.902 1.774 2.040 . 0 0 "[ . 1 . 2]" 2
122 2 88 LEU O 2 92 LEU H 1.800 . 2.200 1.901 1.775 2.041 . 0 0 "[ . 1 . 2]" 2
123 1 88 LEU O 1 92 LEU N 2.800 2.700 3.200 2.837 2.694 3.021 0.006 17 0 "[ . 1 . 2]" 2
124 2 88 LEU O 2 92 LEU N 2.800 2.700 3.200 2.836 2.695 3.022 0.005 17 0 "[ . 1 . 2]" 2
125 1 89 ALA O 1 93 ARG H 1.800 . 2.200 2.161 2.005 2.230 0.030 10 0 "[ . 1 . 2]" 2
126 2 89 ALA O 2 93 ARG H 1.800 . 2.200 2.161 1.995 2.231 0.031 10 0 "[ . 1 . 2]" 2
127 1 89 ALA O 1 93 ARG N 2.800 2.700 3.200 3.082 2.937 3.164 . 0 0 "[ . 1 . 2]" 2
128 2 89 ALA O 2 93 ARG N 2.800 2.700 3.200 3.082 2.931 3.165 . 0 0 "[ . 1 . 2]" 2
129 1 90 ALA O 1 94 ILE H 1.800 . 2.200 2.170 1.963 2.264 0.064 6 0 "[ . 1 . 2]" 2
130 2 90 ALA O 2 94 ILE H 1.800 . 2.200 2.171 1.957 2.263 0.063 8 0 "[ . 1 . 2]" 2
131 1 90 ALA O 1 94 ILE N 2.800 2.700 3.200 3.035 2.825 3.134 . 0 0 "[ . 1 . 2]" 2
132 2 90 ALA O 2 94 ILE N 2.800 2.700 3.200 3.036 2.825 3.132 . 0 0 "[ . 1 . 2]" 2
133 1 91 MET O 1 95 ILE H 1.800 . 2.200 2.025 1.871 2.197 . 0 0 "[ . 1 . 2]" 2
134 2 91 MET O 2 95 ILE H 1.800 . 2.200 2.025 1.869 2.199 . 0 0 "[ . 1 . 2]" 2
135 1 91 MET O 1 95 ILE N 2.800 2.700 3.200 2.920 2.761 3.075 . 0 0 "[ . 1 . 2]" 2
136 2 91 MET O 2 95 ILE N 2.800 2.700 3.200 2.920 2.761 3.079 . 0 0 "[ . 1 . 2]" 2
137 1 92 LEU O 1 96 ASN H 1.800 . 2.200 2.219 2.021 2.302 0.102 9 0 "[ . 1 . 2]" 2
138 2 92 LEU O 2 96 ASN H 1.800 . 2.200 2.220 2.022 2.302 0.102 7 0 "[ . 1 . 2]" 2
139 1 92 LEU O 1 96 ASN N 2.800 2.700 3.200 3.163 2.962 3.248 0.048 9 0 "[ . 1 . 2]" 2
140 2 92 LEU O 2 96 ASN N 2.800 2.700 3.200 3.163 2.961 3.252 0.052 7 0 "[ . 1 . 2]" 2
141 1 93 ARG O 1 97 ALA H 1.800 . 2.200 2.133 1.906 2.253 0.053 4 0 "[ . 1 . 2]" 2
142 2 93 ARG O 2 97 ALA H 1.800 . 2.200 2.131 1.901 2.249 0.049 19 0 "[ . 1 . 2]" 2
143 1 93 ARG O 1 97 ALA N 2.800 2.700 3.200 2.942 2.732 3.144 . 0 0 "[ . 1 . 2]" 2
144 2 93 ARG O 2 97 ALA N 2.800 2.700 3.200 2.942 2.730 3.138 . 0 0 "[ . 1 . 2]" 2
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