NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
561314 |
2m0u   |
18825 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m0u
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 1608
_Distance_constraint_stats_list.Viol_count 2325
_Distance_constraint_stats_list.Viol_total 2936.277
_Distance_constraint_stats_list.Viol_max 0.922
_Distance_constraint_stats_list.Viol_rms 0.0298
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0046
_Distance_constraint_stats_list.Viol_average_violations_only 0.0631
_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 2 ILE 1.742 0.125 8 0 "[ . 1 . 2]"
1 3 ASP 3.449 0.209 16 0 "[ . 1 . 2]"
1 4 PRO 3.596 0.219 14 0 "[ . 1 . 2]"
1 5 PHE 3.323 0.219 14 0 "[ . 1 . 2]"
1 6 THR 5.350 0.225 6 0 "[ . 1 . 2]"
1 7 MET 1.617 0.165 19 0 "[ . 1 . 2]"
1 8 LEU 2.461 0.317 19 0 "[ . 1 . 2]"
1 9 PRO 1.660 0.317 19 0 "[ . 1 . 2]"
1 10 ARG 0.088 0.035 17 0 "[ . 1 . 2]"
1 11 LEU 1.162 0.117 18 0 "[ . 1 . 2]"
1 12 CYS 2.150 0.188 10 0 "[ . 1 . 2]"
1 13 CYS 0.361 0.082 19 0 "[ . 1 . 2]"
1 14 LEU 4.264 0.128 20 0 "[ . 1 . 2]"
1 15 GLU 6.471 0.922 5 7 "[ * + * 1 * . *-*2]"
1 16 LYS 4.500 0.230 18 0 "[ . 1 . 2]"
1 17 GLY 1.962 0.230 18 0 "[ . 1 . 2]"
1 18 PRO 0.133 0.048 13 0 "[ . 1 . 2]"
1 19 ASN 0.832 0.171 19 0 "[ . 1 . 2]"
1 20 GLY 2.709 0.181 20 0 "[ . 1 . 2]"
1 21 TYR 2.166 0.210 20 0 "[ . 1 . 2]"
1 22 GLY 0.046 0.019 15 0 "[ . 1 . 2]"
1 23 PHE 8.730 0.311 16 0 "[ . 1 . 2]"
1 24 HIS 0.470 0.057 12 0 "[ . 1 . 2]"
1 25 LEU 7.643 0.873 10 2 "[ . - + . 2]"
1 26 HIS 2.994 0.441 15 0 "[ . 1 . 2]"
1 27 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLU 0.571 0.123 8 0 "[ . 1 . 2]"
1 29 LYS 0.263 0.133 6 0 "[ . 1 . 2]"
1 30 GLY 0.060 0.019 6 0 "[ . 1 . 2]"
1 31 LYS 2.485 0.173 18 0 "[ . 1 . 2]"
1 32 LEU 6.940 0.612 14 1 "[ . 1 +. 2]"
1 33 GLY 2.477 0.247 1 0 "[ . 1 . 2]"
1 34 GLN 6.820 0.906 17 6 "[ . - 1** .*+ *]"
1 35 TYR 5.511 0.873 10 2 "[ . - + . 2]"
1 36 ILE 4.772 0.145 1 0 "[ . 1 . 2]"
1 37 ARG 1.156 0.109 9 0 "[ . 1 . 2]"
1 38 LEU 0.308 0.074 2 0 "[ . 1 . 2]"
1 39 VAL 6.548 0.750 8 5 "[ * . + 1 * .- * 2]"
1 40 GLU 1.248 0.153 5 0 "[ . 1 . 2]"
1 41 PRO 1.468 0.153 5 0 "[ . 1 . 2]"
1 42 GLY 1.236 0.077 6 0 "[ . 1 . 2]"
1 43 SER 1.268 0.107 2 0 "[ . 1 . 2]"
1 44 PRO 4.976 0.915 12 5 "[ . * 1 + . *-*2]"
1 45 ALA 4.683 0.750 8 4 "[ . + 1 * .- * 2]"
1 46 GLU 3.238 0.602 3 1 "[ + . 1 . 2]"
1 47 LYS 1.771 0.298 5 0 "[ . 1 . 2]"
1 48 ALA 4.257 0.496 9 0 "[ . 1 . 2]"
1 49 GLY 1.144 0.145 20 0 "[ . 1 . 2]"
1 50 LEU 8.130 0.496 9 0 "[ . 1 . 2]"
1 51 LEU 1.613 0.185 17 0 "[ . 1 . 2]"
1 52 ALA 1.882 0.398 18 0 "[ . 1 . 2]"
1 53 GLY 0.934 0.087 17 0 "[ . 1 . 2]"
1 54 ASP 2.018 0.088 12 0 "[ . 1 . 2]"
1 55 ARG 1.761 0.093 14 0 "[ . 1 . 2]"
1 56 LEU 0.993 0.103 2 0 "[ . 1 . 2]"
1 57 VAL 1.888 0.140 15 0 "[ . 1 . 2]"
1 58 GLU 1.897 0.157 16 0 "[ . 1 . 2]"
1 59 VAL 5.530 0.761 20 4 "[ . *1 * . -+]"
1 60 ASN 1.631 0.128 7 0 "[ . 1 . 2]"
1 61 GLY 0.222 0.061 13 0 "[ . 1 . 2]"
1 62 GLU 1.118 0.085 13 0 "[ . 1 . 2]"
1 63 ASN 1.281 0.443 7 0 "[ . 1 . 2]"
1 64 VAL 2.721 0.157 16 0 "[ . 1 . 2]"
1 65 GLU 6.220 0.906 17 6 "[ . - 1** .*+ *]"
1 66 LYS 5.038 0.612 14 1 "[ . 1 +. 2]"
1 67 GLU 2.682 0.166 5 0 "[ . 1 . 2]"
1 68 THR 1.574 0.142 9 0 "[ . 1 . 2]"
1 69 HIS 1.333 0.166 6 0 "[ . 1 . 2]"
1 70 GLN 1.712 0.137 18 0 "[ . 1 . 2]"
1 71 GLN 1.743 0.142 9 0 "[ . 1 . 2]"
1 72 VAL 1.647 0.090 6 0 "[ . 1 . 2]"
1 73 VAL 3.161 0.354 4 0 "[ . 1 . 2]"
1 74 SER 0.501 0.156 2 0 "[ . 1 . 2]"
1 75 ARG 5.243 0.339 8 0 "[ . 1 . 2]"
1 76 ILE 0.958 0.526 19 1 "[ . 1 . +2]"
1 77 ARG 0.868 0.156 2 0 "[ . 1 . 2]"
1 78 ALA 3.456 0.761 20 4 "[ . *1 * . -+]"
1 79 ALA 1.513 0.149 13 0 "[ . 1 . 2]"
1 80 LEU 1.217 0.168 10 0 "[ . 1 . 2]"
1 81 ASN 2.302 0.922 5 2 "[ - + 1 . 2]"
1 82 ALA 0.550 0.088 3 0 "[ . 1 . 2]"
1 83 VAL 2.124 0.128 7 0 "[ . 1 . 2]"
1 84 ARG 2.189 0.188 10 0 "[ . 1 . 2]"
1 85 LEU 2.471 0.129 17 0 "[ . 1 . 2]"
1 86 LEU 5.744 0.658 1 1 "[+ . 1 . 2]"
1 87 VAL 5.999 0.244 12 0 "[ . 1 . 2]"
1 88 VAL 1.914 0.219 13 0 "[ . 1 . 2]"
1 89 ASP 0.528 0.167 4 0 "[ . 1 . 2]"
1 90 PRO 0.304 0.088 18 0 "[ . 1 . 2]"
1 91 GLU 0.532 0.167 4 0 "[ . 1 . 2]"
1 92 THR 0.875 0.130 17 0 "[ . 1 . 2]"
1 93 ASP 0.211 0.043 12 0 "[ . 1 . 2]"
1 94 GLU 0.176 0.041 3 0 "[ . 1 . 2]"
1 95 GLN 2.072 0.142 5 0 "[ . 1 . 2]"
1 96 LEU 2.470 0.248 12 0 "[ . 1 . 2]"
1 97 GLN 0.493 0.248 12 0 "[ . 1 . 2]"
1 98 LYS 0.789 0.106 3 0 "[ . 1 . 2]"
1 99 LEU 4.681 0.381 8 0 "[ . 1 . 2]"
1 100 GLY 0.458 0.166 8 0 "[ . 1 . 2]"
1 101 VAL 1.544 0.381 8 0 "[ . 1 . 2]"
1 102 GLN 0.394 0.078 14 0 "[ . 1 . 2]"
1 103 VAL 2.522 0.475 15 0 "[ . 1 . 2]"
1 105 GLU 1.964 0.658 1 1 "[+ . 1 . 2]"
1 107 LEU 2.241 0.475 15 0 "[ . 1 . 2]"
1 108 LEU 2.069 0.135 16 0 "[ . 1 . 2]"
1 109 ARG 5.381 0.256 17 0 "[ . 1 . 2]"
1 110 ALA 4.401 0.256 17 0 "[ . 1 . 2]"
1 111 GLN 2.075 0.221 15 0 "[ . 1 . 2]"
1 112 GLU 2.721 0.242 7 0 "[ . 1 . 2]"
1 113 ALA 1.210 0.242 7 0 "[ . 1 . 2]"
1 114 PRO 0.437 0.077 2 0 "[ . 1 . 2]"
1 115 GLY 0.125 0.066 6 0 "[ . 1 . 2]"
1 116 GLN 0.408 0.155 4 0 "[ . 1 . 2]"
1 117 ALA 0.034 0.034 3 0 "[ . 1 . 2]"
2 1 GLN 0.072 0.012 9 0 "[ . 1 . 2]"
2 3 THR 0.872 0.195 10 0 "[ . 1 . 2]"
2 4 ARG 0.047 0.033 10 0 "[ . 1 . 2]"
2 5 LEU 4.136 0.311 16 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 2 ILE H 1 2 ILE MG 2.845 . 3.890 2.544 1.913 3.439 . 0 0 "[ . 1 . 2]" 1
2 1 2 ILE HA 1 2 ILE MD 2.815 . 3.830 3.405 2.060 3.719 . 0 0 "[ . 1 . 2]" 1
3 1 2 ILE HA 1 2 ILE QG 2.610 . 3.420 3.031 2.349 3.452 0.032 11 0 "[ . 1 . 2]" 1
4 1 2 ILE HA 1 2 ILE MG 2.640 . 3.480 2.661 2.223 3.226 . 0 0 "[ . 1 . 2]" 1
5 1 2 ILE HA 1 3 ASP H 2.400 . 3.000 2.380 2.077 2.749 . 0 0 "[ . 1 . 2]" 1
6 1 2 ILE HA 1 3 ASP QB 3.205 . 4.610 4.257 3.929 4.547 . 0 0 "[ . 1 . 2]" 1
7 1 2 ILE HB 1 2 ILE MD 2.730 . 3.660 2.631 2.236 3.241 . 0 0 "[ . 1 . 2]" 1
8 1 2 ILE HB 1 3 ASP H 2.970 . 4.140 2.925 1.765 4.265 0.125 8 0 "[ . 1 . 2]" 1
9 1 2 ILE MD 1 3 ASP H 2.700 . 3.600 2.798 1.758 3.190 0.042 18 0 "[ . 1 . 2]" 1
10 1 2 ILE MD 1 3 ASP HB2 3.330 . 4.860 4.654 4.022 4.909 0.049 1 0 "[ . 1 . 2]" 1
11 1 2 ILE MD 1 3 ASP HB3 3.330 . 4.860 4.725 3.984 4.909 0.049 16 0 "[ . 1 . 2]" 1
12 1 2 ILE MD 1 4 PRO HA 2.935 . 4.070 3.597 3.153 4.102 0.032 1 0 "[ . 1 . 2]" 1
13 1 2 ILE MD 1 4 PRO QD 3.310 . 4.820 3.418 1.926 4.691 . 0 0 "[ . 1 . 2]" 1
14 1 2 ILE QG 1 2 ILE MG 2.560 . 3.320 2.199 2.059 2.477 . 0 0 "[ . 1 . 2]" 1
15 1 2 ILE QG 1 3 ASP H 2.835 . 3.870 3.527 2.591 3.957 0.087 3 0 "[ . 1 . 2]" 1
16 1 2 ILE HG12 1 3 ASP H 3.255 . 4.710 3.968 2.614 4.702 . 0 0 "[ . 1 . 2]" 1
17 1 2 ILE HG13 1 3 ASP H 3.255 . 4.710 4.292 3.288 4.639 . 0 0 "[ . 1 . 2]" 1
18 1 3 ASP H 1 3 ASP HB2 2.755 . 3.710 2.965 2.464 3.839 0.129 17 0 "[ . 1 . 2]" 1
19 1 3 ASP H 1 3 ASP QB 2.510 . 3.220 2.645 2.377 3.127 . 0 0 "[ . 1 . 2]" 1
20 1 3 ASP H 1 3 ASP HB3 2.755 . 3.710 3.355 2.782 3.773 0.063 4 0 "[ . 1 . 2]" 1
21 1 3 ASP H 1 4 PRO QD 3.350 . 4.900 4.241 3.824 4.398 . 0 0 "[ . 1 . 2]" 1
22 1 3 ASP HA 1 4 PRO HD2 2.510 . 3.220 2.552 2.108 3.226 0.006 17 0 "[ . 1 . 2]" 1
23 1 3 ASP HA 1 4 PRO QD 2.290 . 2.780 1.921 1.748 2.235 0.052 20 0 "[ . 1 . 2]" 1
24 1 3 ASP HA 1 4 PRO HD3 2.510 . 3.220 2.029 1.759 2.577 0.041 20 0 "[ . 1 . 2]" 1
25 1 3 ASP HA 1 4 PRO HG2 3.235 . 4.670 4.435 4.272 4.617 . 0 0 "[ . 1 . 2]" 1
26 1 3 ASP HA 1 4 PRO HG3 3.235 . 4.670 4.180 3.725 4.677 0.007 16 0 "[ . 1 . 2]" 1
27 1 3 ASP QB 1 4 PRO QD 2.570 . 3.340 2.778 1.794 3.458 0.118 15 0 "[ . 1 . 2]" 1
28 1 3 ASP QB 1 6 THR H 3.570 . 5.340 4.853 3.609 5.549 0.209 16 0 "[ . 1 . 2]" 1
29 1 3 ASP QB 1 6 THR MG 2.960 . 4.120 3.932 3.148 4.249 0.129 14 0 "[ . 1 . 2]" 1
30 1 3 ASP HB2 1 4 PRO HD2 3.290 . 4.780 3.837 2.570 4.774 . 0 0 "[ . 1 . 2]" 1
31 1 3 ASP HB2 1 4 PRO HD3 3.290 . 4.780 4.321 2.589 4.829 0.049 19 0 "[ . 1 . 2]" 1
32 1 3 ASP HB3 1 4 PRO HD2 3.290 . 4.780 3.386 1.808 4.363 . 0 0 "[ . 1 . 2]" 1
33 1 3 ASP HB3 1 4 PRO HD3 3.290 . 4.780 3.999 3.372 4.645 . 0 0 "[ . 1 . 2]" 1
34 1 4 PRO HA 1 5 PHE H 2.405 . 3.010 2.503 2.110 3.167 0.157 17 0 "[ . 1 . 2]" 1
35 1 4 PRO HA 1 5 PHE QB 3.255 . 4.710 4.325 3.876 4.631 . 0 0 "[ . 1 . 2]" 1
36 1 4 PRO QB 1 5 PHE H 2.820 . 3.840 2.893 2.322 3.907 0.067 16 0 "[ . 1 . 2]" 1
37 1 4 PRO QB 1 6 THR H 3.465 . 5.130 4.008 2.803 4.847 . 0 0 "[ . 1 . 2]" 1
38 1 4 PRO QB 1 6 THR MG 2.705 . 3.610 3.605 3.340 3.752 0.142 16 0 "[ . 1 . 2]" 1
39 1 4 PRO QD 1 6 THR MG 3.235 . 4.670 3.439 2.397 4.691 0.021 14 0 "[ . 1 . 2]" 1
40 1 4 PRO QG 1 5 PHE H 2.995 . 4.190 4.242 3.783 4.409 0.219 14 0 "[ . 1 . 2]" 1
41 1 5 PHE H 1 5 PHE HB2 2.835 . 3.870 2.753 2.255 3.666 . 0 0 "[ . 1 . 2]" 1
42 1 5 PHE H 1 5 PHE QB 2.495 . 3.190 2.534 2.231 3.252 0.062 16 0 "[ . 1 . 2]" 1
43 1 5 PHE H 1 5 PHE HB3 2.835 . 3.870 3.310 2.492 4.014 0.144 16 0 "[ . 1 . 2]" 1
44 1 5 PHE HA 1 5 PHE QD 2.820 . 3.840 2.674 1.848 3.728 . 0 0 "[ . 1 . 2]" 1
45 1 5 PHE HA 1 6 THR H 2.540 . 3.280 2.392 2.074 3.418 0.138 16 0 "[ . 1 . 2]" 1
46 1 5 PHE QB 1 6 THR H 2.920 . 4.040 3.725 1.799 4.040 0.001 16 0 "[ . 1 . 2]" 1
47 1 5 PHE QB 1 6 THR MG 3.570 . 5.340 5.050 4.270 5.407 0.067 15 0 "[ . 1 . 2]" 1
48 1 5 PHE HB2 1 6 THR H 3.200 . 4.600 4.311 1.859 4.631 0.031 12 0 "[ . 1 . 2]" 1
49 1 5 PHE HB3 1 6 THR H 3.200 . 4.600 4.119 2.401 4.483 . 0 0 "[ . 1 . 2]" 1
50 1 5 PHE QD 1 6 THR H 3.295 . 4.790 4.440 3.784 4.822 0.032 11 0 "[ . 1 . 2]" 1
51 1 5 PHE QD 1 8 LEU QD 3.090 . 4.380 3.426 1.763 4.456 0.076 10 0 "[ . 1 . 2]" 1
52 1 5 PHE QD 1 99 LEU QD 2.955 . 4.110 3.634 2.409 4.201 0.091 7 0 "[ . 1 . 2]" 1
53 1 5 PHE QE 1 101 VAL QG 3.190 . 4.580 2.896 1.807 4.528 . 0 0 "[ . 1 . 2]" 1
54 1 5 PHE QE 1 103 VAL QG 3.150 . 4.500 3.659 2.192 4.572 0.072 15 0 "[ . 1 . 2]" 1
55 1 6 THR H 1 6 THR HB 2.870 . 3.940 3.087 2.363 3.635 . 0 0 "[ . 1 . 2]" 1
56 1 6 THR H 1 6 THR MG 2.685 . 3.570 2.276 1.818 3.504 . 0 0 "[ . 1 . 2]" 1
57 1 6 THR H 1 8 LEU QD 3.430 . 5.060 4.299 2.792 5.206 0.146 20 0 "[ . 1 . 2]" 1
58 1 6 THR HA 1 6 THR MG 2.505 . 3.210 2.928 2.166 3.220 0.010 14 0 "[ . 1 . 2]" 1
59 1 6 THR HA 1 7 MET H 2.655 . 3.510 2.530 2.061 3.552 0.042 6 0 "[ . 1 . 2]" 1
60 1 6 THR HA 1 8 LEU QD 3.165 . 4.530 3.215 2.294 4.534 0.004 15 0 "[ . 1 . 2]" 1
61 1 6 THR HA 1 8 LEU HG 3.650 . 5.500 4.738 3.053 5.725 0.225 6 0 "[ . 1 . 2]" 1
62 1 6 THR HB 1 7 MET H 2.935 . 4.070 3.719 1.849 4.224 0.154 14 0 "[ . 1 . 2]" 1
63 1 6 THR HB 1 99 LEU QD 3.195 . 4.590 4.421 3.621 4.807 0.217 20 0 "[ . 1 . 2]" 1
64 1 6 THR MG 1 7 MET H 2.915 . 4.030 3.451 2.079 4.195 0.165 19 0 "[ . 1 . 2]" 1
65 1 6 THR MG 1 95 GLN QB 3.020 . 4.050 3.840 2.945 4.139 0.089 10 0 "[ . 1 . 2]" 1
66 1 6 THR MG 1 95 GLN QG 2.775 . 3.750 2.738 2.172 3.548 . 0 0 "[ . 1 . 2]" 1
67 1 6 THR MG 1 96 LEU QD 2.650 . 3.500 3.353 1.839 3.612 0.112 9 0 "[ . 1 . 2]" 1
68 1 7 MET H 1 8 LEU MD1 3.340 . 4.880 4.412 2.728 4.981 0.101 13 0 "[ . 1 . 2]" 1
69 1 7 MET H 1 8 LEU MD2 3.340 . 4.880 3.701 1.800 4.920 0.040 4 0 "[ . 1 . 2]" 1
70 1 7 MET H 1 96 LEU QD 3.350 . 4.900 4.004 1.999 4.814 . 0 0 "[ . 1 . 2]" 1
71 1 7 MET HA 1 92 THR MG 3.010 . 4.220 3.708 3.166 4.331 0.111 15 0 "[ . 1 . 2]" 1
72 1 8 LEU HA 1 9 PRO QG 3.405 . 5.010 3.941 3.702 4.411 . 0 0 "[ . 1 . 2]" 1
73 1 8 LEU QB 1 8 LEU QD 2.275 . 2.750 1.998 1.912 2.075 . 0 0 "[ . 1 . 2]" 1
74 1 8 LEU QB 1 9 PRO QD 2.835 . 3.870 3.164 1.765 3.878 0.035 10 0 "[ . 1 . 2]" 1
75 1 8 LEU QB 1 103 VAL QG 3.150 . 4.500 4.095 2.858 4.546 0.046 6 0 "[ . 1 . 2]" 1
76 1 8 LEU QD 1 9 PRO QD 2.510 . 3.220 3.115 2.685 3.537 0.317 19 0 "[ . 1 . 2]" 1
77 1 9 PRO QB 1 86 LEU QD 2.470 . 3.140 1.952 1.748 2.359 0.052 15 0 "[ . 1 . 2]" 1
78 1 9 PRO QB 1 108 LEU QD 2.875 . 3.950 3.285 2.145 3.891 . 0 0 "[ . 1 . 2]" 1
79 1 9 PRO QD 1 96 LEU QD 3.210 . 4.620 2.837 1.850 4.425 . 0 0 "[ . 1 . 2]" 1
80 1 9 PRO QD 1 103 VAL QG 3.095 . 4.390 2.169 1.744 2.857 0.056 1 0 "[ . 1 . 2]" 1
81 1 9 PRO QD 1 107 LEU QD 2.795 . 3.790 3.425 2.290 3.843 0.053 8 0 "[ . 1 . 2]" 1
82 1 9 PRO QG 1 86 LEU QD 2.480 . 3.160 2.908 2.327 3.232 0.072 6 0 "[ . 1 . 2]" 1
83 1 9 PRO HG2 1 86 LEU QD 2.810 . 3.820 3.117 2.412 3.676 . 0 0 "[ . 1 . 2]" 1
84 1 9 PRO HG3 1 103 VAL QG 2.940 . 4.080 2.891 2.182 3.899 . 0 0 "[ . 1 . 2]" 1
85 1 10 ARG H 1 86 LEU QD 3.230 . 4.660 3.392 3.004 4.265 . 0 0 "[ . 1 . 2]" 1
86 1 10 ARG HA 1 11 LEU H 2.490 . 3.180 2.145 2.112 2.216 . 0 0 "[ . 1 . 2]" 1
87 1 10 ARG QB 1 11 LEU H 2.765 . 3.730 3.181 2.878 3.765 0.035 17 0 "[ . 1 . 2]" 1
88 1 10 ARG QG 1 87 VAL H 3.195 . 4.590 3.637 3.089 4.607 0.017 12 0 "[ . 1 . 2]" 1
89 1 11 LEU H 1 11 LEU HB2 2.990 . 4.180 2.730 2.404 3.726 . 0 0 "[ . 1 . 2]" 1
90 1 11 LEU H 1 11 LEU QB 2.615 . 3.430 2.331 2.251 2.677 . 0 0 "[ . 1 . 2]" 1
91 1 11 LEU H 1 11 LEU HB3 2.990 . 4.180 2.555 2.451 2.744 . 0 0 "[ . 1 . 2]" 1
92 1 11 LEU H 1 11 LEU QD 3.285 . 4.770 3.676 1.821 3.867 . 0 0 "[ . 1 . 2]" 1
93 1 11 LEU H 1 11 LEU HG 3.190 . 4.580 4.461 3.779 4.644 0.064 2 0 "[ . 1 . 2]" 1
94 1 11 LEU H 1 12 CYS H 3.285 . 4.770 4.349 4.192 4.497 . 0 0 "[ . 1 . 2]" 1
95 1 11 LEU H 1 86 LEU QD 3.270 . 4.740 3.576 3.030 4.410 . 0 0 "[ . 1 . 2]" 1
96 1 11 LEU H 1 108 LEU QD 2.400 . 3.000 2.809 2.070 3.117 0.117 18 0 "[ . 1 . 2]" 1
97 1 11 LEU HA 1 11 LEU MD1 3.260 . 4.720 2.532 1.988 3.765 . 0 0 "[ . 1 . 2]" 1
98 1 11 LEU HA 1 11 LEU QD 2.620 . 3.440 2.255 1.798 3.143 0.002 20 0 "[ . 1 . 2]" 1
99 1 11 LEU HA 1 11 LEU MD2 3.260 . 4.720 3.501 1.820 3.903 . 0 0 "[ . 1 . 2]" 1
100 1 11 LEU HA 1 86 LEU HA 2.990 . 4.180 2.607 1.803 3.630 . 0 0 "[ . 1 . 2]" 1
101 1 11 LEU HA 1 86 LEU QD 2.730 . 3.660 2.480 2.169 3.107 . 0 0 "[ . 1 . 2]" 1
102 1 11 LEU HA 1 87 VAL H 3.495 . 5.190 3.864 3.028 4.978 . 0 0 "[ . 1 . 2]" 1
103 1 11 LEU QB 1 12 CYS H 2.945 . 4.090 3.815 2.987 3.926 . 0 0 "[ . 1 . 2]" 1
104 1 11 LEU QB 1 108 LEU QD 3.175 . 4.550 1.985 1.756 2.666 0.044 5 0 "[ . 1 . 2]" 1
105 1 11 LEU HB2 1 12 CYS H 3.260 . 4.720 4.336 3.062 4.539 . 0 0 "[ . 1 . 2]" 1
106 1 11 LEU HB3 1 12 CYS H 3.260 . 4.720 4.264 4.077 4.369 . 0 0 "[ . 1 . 2]" 1
107 1 11 LEU QD 1 12 CYS H 2.795 . 3.790 2.749 2.262 3.241 . 0 0 "[ . 1 . 2]" 1
108 1 11 LEU QD 1 84 ARG QB 2.475 . 3.150 1.980 1.729 3.188 0.071 1 0 "[ . 1 . 2]" 1
109 1 11 LEU QD 1 85 LEU H 2.805 . 3.810 3.453 2.851 3.870 0.060 10 0 "[ . 1 . 2]" 1
110 1 11 LEU MD1 1 12 CYS H 3.510 . 5.220 3.214 2.281 5.047 . 0 0 "[ . 1 . 2]" 1
111 1 11 LEU MD2 1 12 CYS H 3.510 . 5.220 4.136 2.480 4.945 . 0 0 "[ . 1 . 2]" 1
112 1 11 LEU HG 1 12 CYS H 3.575 . 5.350 3.678 3.033 5.226 . 0 0 "[ . 1 . 2]" 1
113 1 12 CYS H 1 12 CYS QB 2.725 . 3.650 2.491 2.377 2.618 . 0 0 "[ . 1 . 2]" 1
114 1 12 CYS H 1 84 ARG QB 3.265 . 4.730 4.771 4.568 4.918 0.188 10 0 "[ . 1 . 2]" 1
115 1 12 CYS H 1 85 LEU QB 3.105 . 4.410 3.782 3.230 4.539 0.129 17 0 "[ . 1 . 2]" 1
116 1 12 CYS H 1 85 LEU QD 3.620 . 5.440 4.678 2.774 5.442 0.002 10 0 "[ . 1 . 2]" 1
117 1 12 CYS H 1 86 LEU H 3.650 . 5.500 4.737 4.358 5.077 . 0 0 "[ . 1 . 2]" 1
118 1 12 CYS H 1 86 LEU HA 3.210 . 4.620 3.191 2.851 3.681 . 0 0 "[ . 1 . 2]" 1
119 1 12 CYS HA 1 13 CYS H 2.550 . 3.300 2.150 2.126 2.193 . 0 0 "[ . 1 . 2]" 1
120 1 12 CYS HA 1 87 VAL MG2 3.650 . 5.500 5.044 4.751 5.533 0.033 5 0 "[ . 1 . 2]" 1
121 1 12 CYS QB 1 13 CYS H 3.040 . 4.280 3.454 3.285 3.556 . 0 0 "[ . 1 . 2]" 1
122 1 12 CYS QB 1 14 LEU QD 2.685 . 3.570 2.248 2.091 2.437 . 0 0 "[ . 1 . 2]" 1
123 1 12 CYS QB 1 48 ALA MB 2.725 . 3.650 1.831 1.733 2.099 0.067 14 0 "[ . 1 . 2]" 1
124 1 12 CYS QB 1 49 GLY H 3.195 . 4.590 4.540 4.201 4.670 0.080 15 0 "[ . 1 . 2]" 1
125 1 12 CYS QB 1 50 LEU H 3.265 . 4.730 3.695 2.960 4.222 . 0 0 "[ . 1 . 2]" 1
126 1 12 CYS QB 1 85 LEU H 3.135 . 4.470 3.401 3.095 3.677 . 0 0 "[ . 1 . 2]" 1
127 1 12 CYS QB 1 85 LEU QD 3.325 . 4.180 3.544 1.775 4.064 0.025 11 0 "[ . 1 . 2]" 1
128 1 12 CYS QB 1 87 VAL MG1 3.180 . 4.560 3.814 3.405 4.252 . 0 0 "[ . 1 . 2]" 1
129 1 12 CYS QB 1 87 VAL MG2 3.270 . 4.740 3.280 2.952 3.625 . 0 0 "[ . 1 . 2]" 1
130 1 13 CYS H 1 13 CYS HB2 3.000 . 4.200 3.197 2.462 3.670 . 0 0 "[ . 1 . 2]" 1
131 1 13 CYS H 1 13 CYS QB 2.730 . 3.660 2.664 2.318 2.963 . 0 0 "[ . 1 . 2]" 1
132 1 13 CYS H 1 13 CYS HB3 3.000 . 4.200 3.059 2.545 3.688 . 0 0 "[ . 1 . 2]" 1
133 1 13 CYS H 1 14 LEU H 3.345 . 4.890 4.279 4.201 4.325 . 0 0 "[ . 1 . 2]" 1
134 1 13 CYS H 1 14 LEU QD 3.295 . 4.790 3.879 3.644 4.340 . 0 0 "[ . 1 . 2]" 1
135 1 13 CYS H 1 48 ALA MB 2.945 . 4.090 3.032 2.710 3.435 . 0 0 "[ . 1 . 2]" 1
136 1 13 CYS HA 1 14 LEU H 2.650 . 3.500 2.139 2.118 2.176 . 0 0 "[ . 1 . 2]" 1
137 1 13 CYS HA 1 85 LEU H 2.985 . 4.170 3.304 2.990 3.487 . 0 0 "[ . 1 . 2]" 1
138 1 13 CYS QB 1 14 LEU H 3.080 . 4.360 3.576 3.461 3.928 . 0 0 "[ . 1 . 2]" 1
139 1 13 CYS HB2 1 14 LEU H 3.510 . 5.220 3.988 3.670 4.465 . 0 0 "[ . 1 . 2]" 1
140 1 13 CYS HB2 1 83 VAL H 3.650 . 5.500 4.837 4.071 5.582 0.082 19 0 "[ . 1 . 2]" 1
141 1 13 CYS HB3 1 14 LEU H 3.510 . 5.220 4.167 3.691 4.388 . 0 0 "[ . 1 . 2]" 1
142 1 13 CYS HB3 1 83 VAL H 3.650 . 5.500 5.075 3.696 5.537 0.037 14 0 "[ . 1 . 2]" 1
143 1 14 LEU H 1 14 LEU MD1 3.290 . 4.780 2.988 2.196 4.184 . 0 0 "[ . 1 . 2]" 1
144 1 14 LEU H 1 14 LEU QD 2.695 . 3.590 2.546 2.187 3.091 . 0 0 "[ . 1 . 2]" 1
145 1 14 LEU H 1 14 LEU MD2 3.290 . 4.780 3.703 2.496 4.224 . 0 0 "[ . 1 . 2]" 1
146 1 14 LEU H 1 48 ALA MB 3.235 . 4.670 4.107 3.835 4.409 . 0 0 "[ . 1 . 2]" 1
147 1 14 LEU H 1 83 VAL H 3.105 . 4.410 2.931 2.673 3.189 . 0 0 "[ . 1 . 2]" 1
148 1 14 LEU H 1 83 VAL QG 3.505 . 5.210 2.729 2.473 2.946 . 0 0 "[ . 1 . 2]" 1
149 1 14 LEU H 1 84 ARG HA 2.970 . 4.140 3.618 3.328 3.993 . 0 0 "[ . 1 . 2]" 1
150 1 14 LEU H 1 85 LEU H 3.470 . 5.140 3.733 3.358 3.996 . 0 0 "[ . 1 . 2]" 1
151 1 14 LEU HA 1 14 LEU MD1 3.000 . 4.200 2.471 1.811 3.076 . 0 0 "[ . 1 . 2]" 1
152 1 14 LEU HA 1 14 LEU QD 2.645 . 3.490 2.394 1.777 2.930 0.023 2 0 "[ . 1 . 2]" 1
153 1 14 LEU HA 1 14 LEU MD2 3.000 . 4.200 3.265 2.232 3.749 . 0 0 "[ . 1 . 2]" 1
154 1 14 LEU HA 1 14 LEU HG 2.935 . 4.070 2.845 2.349 3.664 . 0 0 "[ . 1 . 2]" 1
155 1 14 LEU HA 1 15 GLU H 2.350 . 2.900 2.153 2.086 2.276 . 0 0 "[ . 1 . 2]" 1
156 1 14 LEU HA 1 48 ALA H 3.555 . 5.310 5.070 4.455 5.373 0.063 9 0 "[ . 1 . 2]" 1
157 1 14 LEU HA 1 48 ALA MB 2.730 . 3.660 2.854 2.679 3.091 . 0 0 "[ . 1 . 2]" 1
158 1 14 LEU HB2 1 15 GLU H 3.170 . 4.540 4.245 3.938 4.522 . 0 0 "[ . 1 . 2]" 1
159 1 14 LEU HB2 1 21 TYR QD 3.135 . 4.470 3.762 3.208 4.335 . 0 0 "[ . 1 . 2]" 1
160 1 14 LEU HB2 1 76 ILE MG 3.380 . 4.960 4.268 3.914 4.536 . 0 0 "[ . 1 . 2]" 1
161 1 14 LEU HB2 1 83 VAL H 3.200 . 4.600 3.742 3.416 4.037 . 0 0 "[ . 1 . 2]" 1
162 1 14 LEU HB2 1 83 VAL QG 2.735 . 3.670 2.151 1.887 2.536 . 0 0 "[ . 1 . 2]" 1
163 1 14 LEU HB2 1 85 LEU QD 3.500 . 5.200 2.647 1.751 3.475 0.049 2 0 "[ . 1 . 2]" 1
164 1 14 LEU HB2 1 85 LEU HG 2.665 . 3.530 3.481 3.037 3.658 0.128 20 0 "[ . 1 . 2]" 1
165 1 14 LEU HB3 1 21 TYR QD 3.150 . 4.500 2.422 2.048 3.165 . 0 0 "[ . 1 . 2]" 1
166 1 14 LEU HB3 1 21 TYR QE 3.260 . 4.720 3.703 2.861 4.447 . 0 0 "[ . 1 . 2]" 1
167 1 14 LEU HB3 1 44 PRO QG 3.390 . 4.980 4.543 3.191 5.034 0.054 16 0 "[ . 1 . 2]" 1
168 1 14 LEU HB3 1 83 VAL QG 3.400 . 5.000 3.030 2.466 3.428 . 0 0 "[ . 1 . 2]" 1
169 1 14 LEU HB3 1 85 LEU QD 3.560 . 5.320 3.729 3.124 4.335 . 0 0 "[ . 1 . 2]" 1
170 1 14 LEU QD 1 15 GLU H 3.075 . 4.350 3.559 2.436 4.314 . 0 0 "[ . 1 . 2]" 1
171 1 14 LEU QD 1 21 TYR HA 3.250 . 4.700 3.699 2.959 4.126 . 0 0 "[ . 1 . 2]" 1
172 1 14 LEU QD 1 21 TYR QB 2.835 . 3.870 1.865 1.766 2.085 0.034 3 0 "[ . 1 . 2]" 1
173 1 14 LEU QD 1 21 TYR QD 2.900 . 4.000 3.060 1.933 3.483 . 0 0 "[ . 1 . 2]" 1
174 1 14 LEU QD 1 21 TYR QE 3.270 . 4.740 4.358 3.677 4.730 . 0 0 "[ . 1 . 2]" 1
175 1 14 LEU QD 1 23 PHE HB3 3.620 . 5.440 4.327 3.757 5.079 . 0 0 "[ . 1 . 2]" 1
176 1 14 LEU QD 1 23 PHE QD 2.970 . 4.140 2.896 2.502 3.369 . 0 0 "[ . 1 . 2]" 1
177 1 14 LEU QD 1 23 PHE QE 2.785 . 3.770 2.292 1.907 2.724 . 0 0 "[ . 1 . 2]" 1
178 1 14 LEU QD 1 23 PHE HZ 2.785 . 3.770 3.484 3.158 3.816 0.046 2 0 "[ . 1 . 2]" 1
179 1 14 LEU QD 1 44 PRO HB2 3.135 . 4.470 3.469 2.100 4.532 0.062 9 0 "[ . 1 . 2]" 1
180 1 14 LEU QD 1 45 ALA H 2.940 . 4.080 3.443 2.837 4.026 . 0 0 "[ . 1 . 2]" 1
181 1 14 LEU QD 1 45 ALA HA 2.600 . 3.400 2.129 1.731 2.553 0.069 15 0 "[ . 1 . 2]" 1
182 1 14 LEU QD 1 45 ALA MB 2.655 . 3.510 2.223 2.015 2.547 . 0 0 "[ . 1 . 2]" 1
183 1 14 LEU QD 1 48 ALA H 3.215 . 4.630 4.057 3.549 4.557 . 0 0 "[ . 1 . 2]" 1
184 1 14 LEU QD 1 48 ALA HA 3.375 . 4.950 4.392 4.071 4.709 . 0 0 "[ . 1 . 2]" 1
185 1 14 LEU QD 1 48 ALA MB 2.435 . 3.070 2.163 1.967 2.425 . 0 0 "[ . 1 . 2]" 1
186 1 14 LEU QD 1 50 LEU H 2.920 . 4.040 3.935 3.609 4.118 0.078 15 0 "[ . 1 . 2]" 1
187 1 14 LEU QD 1 50 LEU HB2 3.010 . 4.220 2.741 2.425 3.059 . 0 0 "[ . 1 . 2]" 1
188 1 14 LEU QD 1 50 LEU HB3 2.880 . 3.960 3.257 2.665 3.694 . 0 0 "[ . 1 . 2]" 1
189 1 14 LEU QD 1 50 LEU QD 2.810 . 3.820 2.124 1.796 2.601 0.004 8 0 "[ . 1 . 2]" 1
190 1 14 LEU QD 1 83 VAL H 3.620 . 5.440 4.573 4.209 4.836 . 0 0 "[ . 1 . 2]" 1
191 1 14 LEU QD 1 85 LEU H 2.980 . 4.160 3.314 2.761 4.158 . 0 0 "[ . 1 . 2]" 1
192 1 14 LEU QD 1 85 LEU QD 2.550 . 3.300 1.837 1.758 2.010 0.042 20 0 "[ . 1 . 2]" 1
193 1 14 LEU MD1 1 15 GLU H 3.380 . 4.960 3.916 2.454 4.850 . 0 0 "[ . 1 . 2]" 1
194 1 14 LEU MD1 1 23 PHE HZ 3.405 . 5.010 4.834 4.382 5.060 0.050 4 0 "[ . 1 . 2]" 1
195 1 14 LEU MD1 1 45 ALA H 3.650 . 5.500 4.551 2.869 5.595 0.095 10 0 "[ . 1 . 2]" 1
196 1 14 LEU MD1 1 45 ALA HA 2.925 . 4.050 2.698 1.737 3.517 0.063 15 0 "[ . 1 . 2]" 1
197 1 14 LEU MD1 1 48 ALA H 3.640 . 5.480 4.371 3.642 5.016 . 0 0 "[ . 1 . 2]" 1
198 1 14 LEU MD2 1 15 GLU H 3.380 . 4.960 4.410 3.991 4.834 . 0 0 "[ . 1 . 2]" 1
199 1 14 LEU MD2 1 23 PHE HZ 3.405 . 5.010 3.597 3.191 4.060 . 0 0 "[ . 1 . 2]" 1
200 1 14 LEU MD2 1 45 ALA H 3.650 . 5.500 4.185 3.316 5.472 . 0 0 "[ . 1 . 2]" 1
201 1 14 LEU MD2 1 45 ALA HA 2.925 . 4.050 2.531 2.152 3.569 . 0 0 "[ . 1 . 2]" 1
202 1 14 LEU MD2 1 48 ALA H 3.640 . 5.480 4.916 3.969 5.530 0.050 1 0 "[ . 1 . 2]" 1
203 1 14 LEU HG 1 15 GLU H 3.400 . 5.000 4.268 3.590 5.048 0.048 18 0 "[ . 1 . 2]" 1
204 1 14 LEU HG 1 21 TYR QD 3.395 . 4.990 4.304 3.434 5.044 0.054 20 0 "[ . 1 . 2]" 1
205 1 14 LEU HG 1 45 ALA H 3.650 . 5.500 4.669 4.026 5.599 0.099 15 0 "[ . 1 . 2]" 1
206 1 14 LEU HG 1 45 ALA HA 3.065 . 4.330 2.716 1.834 4.243 . 0 0 "[ . 1 . 2]" 1
207 1 14 LEU HG 1 48 ALA MB 3.105 . 4.410 3.236 2.195 4.454 0.044 2 0 "[ . 1 . 2]" 1
208 1 14 LEU HG 1 85 LEU HG 3.385 . 4.970 4.670 3.322 5.079 0.109 9 0 "[ . 1 . 2]" 1
209 1 15 GLU H 1 15 GLU QB 2.835 . 3.140 2.459 2.249 2.699 . 0 0 "[ . 1 . 2]" 1
210 1 15 GLU H 1 21 TYR QD 3.225 . 4.650 3.566 2.957 4.124 . 0 0 "[ . 1 . 2]" 1
211 1 15 GLU H 1 21 TYR QE 3.520 . 5.240 4.741 4.127 5.254 0.014 20 0 "[ . 1 . 2]" 1
212 1 15 GLU H 1 44 PRO HB2 3.155 . 4.510 2.384 2.028 2.795 . 0 0 "[ . 1 . 2]" 1
213 1 15 GLU H 1 44 PRO HB3 2.955 . 4.110 3.047 2.141 4.013 . 0 0 "[ . 1 . 2]" 1
214 1 15 GLU H 1 44 PRO QG 2.885 . 3.970 3.388 2.879 3.781 . 0 0 "[ . 1 . 2]" 1
215 1 15 GLU H 1 48 ALA MB 3.050 . 4.300 4.234 3.990 4.390 0.090 14 0 "[ . 1 . 2]" 1
216 1 15 GLU HA 1 16 LYS H 2.675 . 3.550 2.185 2.149 2.239 . 0 0 "[ . 1 . 2]" 1
217 1 15 GLU QB 1 15 GLU QG 2.045 . 2.290 2.060 2.000 2.088 . 0 0 "[ . 1 . 2]" 1
218 1 15 GLU QB 1 16 LYS H 3.130 . 3.810 3.262 2.722 3.757 . 0 0 "[ . 1 . 2]" 1
219 1 15 GLU QB 1 44 PRO HG2 2.650 . 3.500 3.487 2.687 4.415 0.915 12 5 "[ . * 1 + . *-*2]" 1
220 1 15 GLU QB 1 81 ASN HD22 3.260 . 4.720 4.441 3.524 5.642 0.922 5 2 "[ - + 1 . 2]" 1
221 1 15 GLU QB 1 82 ALA MB 3.235 . 4.670 4.367 3.434 4.714 0.044 4 0 "[ . 1 . 2]" 1
222 1 16 LYS H 1 16 LYS HB2 2.610 . 3.420 2.625 2.397 2.752 . 0 0 "[ . 1 . 2]" 1
223 1 16 LYS H 1 16 LYS HB3 2.610 . 3.420 2.458 2.387 2.712 . 0 0 "[ . 1 . 2]" 1
224 1 16 LYS H 1 16 LYS QD 3.215 . 4.630 4.560 4.463 4.723 0.093 17 0 "[ . 1 . 2]" 1
225 1 16 LYS H 1 16 LYS QE 3.330 . 4.860 4.158 3.671 4.618 . 0 0 "[ . 1 . 2]" 1
226 1 16 LYS H 1 16 LYS QG 3.160 . 4.520 4.001 3.967 4.033 . 0 0 "[ . 1 . 2]" 1
227 1 16 LYS H 1 17 GLY H 3.260 . 4.720 4.338 4.211 4.561 . 0 0 "[ . 1 . 2]" 1
228 1 16 LYS H 1 21 TYR QD 3.510 . 5.220 4.010 3.436 4.344 . 0 0 "[ . 1 . 2]" 1
229 1 16 LYS H 1 21 TYR QE 2.820 . 3.840 2.989 2.542 3.448 . 0 0 "[ . 1 . 2]" 1
230 1 16 LYS H 1 44 PRO QG 3.410 . 5.020 4.959 4.725 5.106 0.086 17 0 "[ . 1 . 2]" 1
231 1 16 LYS H 1 81 ASN QB 3.245 . 4.690 4.470 3.346 4.835 0.145 14 0 "[ . 1 . 2]" 1
232 1 16 LYS H 1 82 ALA HA 2.805 . 3.810 3.562 2.888 3.898 0.088 3 0 "[ . 1 . 2]" 1
233 1 16 LYS H 1 83 VAL QG 3.420 . 5.040 4.868 4.336 5.075 0.035 18 0 "[ . 1 . 2]" 1
234 1 16 LYS HA 1 16 LYS HD2 3.650 . 5.500 3.788 2.991 4.619 . 0 0 "[ . 1 . 2]" 1
235 1 16 LYS HA 1 16 LYS HD3 3.650 . 5.500 2.620 2.106 4.855 . 0 0 "[ . 1 . 2]" 1
236 1 16 LYS HA 1 16 LYS QG 2.770 . 3.740 2.944 2.364 3.087 . 0 0 "[ . 1 . 2]" 1
237 1 16 LYS HA 1 17 GLY H 2.395 . 2.990 2.133 2.107 2.174 . 0 0 "[ . 1 . 2]" 1
238 1 16 LYS HA 1 17 GLY HA3 3.150 . 4.500 4.379 4.289 4.423 . 0 0 "[ . 1 . 2]" 1
239 1 16 LYS HA 1 21 TYR QD 3.130 . 4.460 2.913 2.063 3.308 . 0 0 "[ . 1 . 2]" 1
240 1 16 LYS HA 1 21 TYR QE 3.110 . 4.420 2.805 2.584 2.943 . 0 0 "[ . 1 . 2]" 1
241 1 16 LYS QB 1 16 LYS QE 2.910 . 4.020 2.043 1.767 2.323 0.033 20 0 "[ . 1 . 2]" 1
242 1 16 LYS QB 1 17 GLY H 3.060 . 4.320 3.880 3.428 3.960 . 0 0 "[ . 1 . 2]" 1
243 1 16 LYS QB 1 20 GLY QA 3.335 . 4.870 4.811 4.323 4.965 0.095 2 0 "[ . 1 . 2]" 1
244 1 16 LYS QB 1 81 ASN HA 3.130 . 4.460 2.199 1.781 2.777 0.019 16 0 "[ . 1 . 2]" 1
245 1 16 LYS HB2 1 81 ASN HA 3.210 . 4.620 2.878 1.975 3.666 . 0 0 "[ . 1 . 2]" 1
246 1 16 LYS QD 1 17 GLY H 2.810 . 3.820 3.004 2.542 4.050 0.230 18 0 "[ . 1 . 2]" 1
247 1 16 LYS QD 1 20 GLY H 2.920 . 4.040 2.670 1.986 4.131 0.091 8 0 "[ . 1 . 2]" 1
248 1 16 LYS QD 1 20 GLY QA 3.280 . 4.760 2.715 2.300 4.026 . 0 0 "[ . 1 . 2]" 1
249 1 16 LYS QE 1 20 GLY H 2.850 . 3.900 3.907 3.187 4.081 0.181 20 0 "[ . 1 . 2]" 1
250 1 16 LYS QE 1 21 TYR QE 3.115 . 4.430 2.821 2.289 4.640 0.210 20 0 "[ . 1 . 2]" 1
251 1 16 LYS QG 1 17 GLY H 2.765 . 3.730 3.468 2.144 3.762 0.032 7 0 "[ . 1 . 2]" 1
252 1 16 LYS QG 1 20 GLY H 2.890 . 3.980 3.830 2.656 4.064 0.084 11 0 "[ . 1 . 2]" 1
253 1 17 GLY H 1 18 PRO QD 3.075 . 4.350 3.582 2.953 4.214 . 0 0 "[ . 1 . 2]" 1
254 1 17 GLY H 1 19 ASN H 3.345 . 4.890 4.585 4.041 4.895 0.005 17 0 "[ . 1 . 2]" 1
255 1 17 GLY H 1 20 GLY H 3.060 . 4.320 3.265 2.923 3.757 . 0 0 "[ . 1 . 2]" 1
256 1 17 GLY H 1 21 TYR H 3.460 . 5.120 4.784 4.118 5.061 . 0 0 "[ . 1 . 2]" 1
257 1 17 GLY H 1 21 TYR HA 2.970 . 4.140 3.123 2.899 3.368 . 0 0 "[ . 1 . 2]" 1
258 1 17 GLY H 1 21 TYR QE 3.195 . 4.590 4.658 4.590 4.743 0.153 13 0 "[ . 1 . 2]" 1
259 1 17 GLY H 1 44 PRO HG2 3.310 . 4.820 3.640 2.753 4.644 . 0 0 "[ . 1 . 2]" 1
260 1 17 GLY H 1 44 PRO QG 2.875 . 3.950 3.280 2.710 4.002 0.052 18 0 "[ . 1 . 2]" 1
261 1 17 GLY H 1 44 PRO HG3 3.310 . 4.820 4.189 3.263 4.822 0.002 4 0 "[ . 1 . 2]" 1
262 1 17 GLY HA2 1 18 PRO HD2 2.860 . 3.920 3.483 2.760 3.935 0.015 1 0 "[ . 1 . 2]" 1
263 1 17 GLY HA2 1 18 PRO QD 2.595 . 3.390 2.949 2.506 3.278 . 0 0 "[ . 1 . 2]" 1
264 1 17 GLY HA2 1 18 PRO HD3 2.860 . 3.920 3.237 2.687 3.670 . 0 0 "[ . 1 . 2]" 1
265 1 17 GLY HA3 1 18 PRO HD2 2.775 . 3.750 2.075 1.858 2.435 . 0 0 "[ . 1 . 2]" 1
266 1 17 GLY HA3 1 18 PRO HD3 2.775 . 3.750 2.526 2.015 3.273 . 0 0 "[ . 1 . 2]" 1
267 1 17 GLY HA3 1 18 PRO QG 3.050 . 4.300 3.812 3.735 3.987 . 0 0 "[ . 1 . 2]" 1
268 1 17 GLY HA3 1 19 ASN H 3.270 . 4.740 4.182 3.559 4.721 . 0 0 "[ . 1 . 2]" 1
269 1 17 GLY HA3 1 20 GLY H 3.175 . 4.550 4.123 3.512 4.570 0.020 4 0 "[ . 1 . 2]" 1
270 1 18 PRO HA 1 19 ASN HA 3.205 . 4.610 4.587 4.534 4.628 0.018 7 0 "[ . 1 . 2]" 1
271 1 18 PRO QB 1 19 ASN QB 3.205 . 4.610 3.490 2.924 4.065 . 0 0 "[ . 1 . 2]" 1
272 1 18 PRO QB 1 19 ASN QD 3.320 . 4.840 3.376 2.143 4.634 . 0 0 "[ . 1 . 2]" 1
273 1 18 PRO QD 1 19 ASN H 3.100 . 4.400 3.049 2.689 4.218 . 0 0 "[ . 1 . 2]" 1
274 1 18 PRO QG 1 19 ASN H 3.130 . 4.460 2.647 1.905 4.497 0.037 5 0 "[ . 1 . 2]" 1
275 1 18 PRO QG 1 20 GLY H 3.595 . 5.390 4.390 3.254 5.438 0.048 13 0 "[ . 1 . 2]" 1
276 1 19 ASN H 1 19 ASN QD 2.940 . 4.080 3.388 1.782 4.251 0.171 19 0 "[ . 1 . 2]" 1
277 1 19 ASN H 1 20 GLY H 2.655 . 3.510 2.372 1.944 3.207 . 0 0 "[ . 1 . 2]" 1
278 1 19 ASN H 1 20 GLY QA 3.395 . 4.990 3.992 3.606 4.634 . 0 0 "[ . 1 . 2]" 1
279 1 19 ASN HA 1 19 ASN QD 3.335 . 4.870 3.763 1.787 4.322 0.013 12 0 "[ . 1 . 2]" 1
280 1 19 ASN HA 1 20 GLY H 2.640 . 3.480 2.880 2.574 3.198 . 0 0 "[ . 1 . 2]" 1
281 1 19 ASN QB 1 19 ASN QD 2.400 . 3.000 2.251 2.117 2.677 . 0 0 "[ . 1 . 2]" 1
282 1 19 ASN QB 1 20 GLY H 3.030 . 4.260 3.990 3.816 4.075 . 0 0 "[ . 1 . 2]" 1
283 1 19 ASN HB2 1 19 ASN HD21 2.910 . 4.020 2.858 2.182 3.532 . 0 0 "[ . 1 . 2]" 1
284 1 19 ASN HB2 1 19 ASN HD22 2.910 . 4.020 3.763 3.459 4.072 0.052 2 0 "[ . 1 . 2]" 1
285 1 19 ASN HB3 1 19 ASN HD21 2.910 . 4.020 2.796 2.197 3.556 . 0 0 "[ . 1 . 2]" 1
286 1 19 ASN HB3 1 19 ASN HD22 2.910 . 4.020 3.737 3.469 4.081 0.061 3 0 "[ . 1 . 2]" 1
287 1 20 GLY H 1 21 TYR H 3.235 . 4.670 4.291 4.083 4.456 . 0 0 "[ . 1 . 2]" 1
288 1 21 TYR H 1 22 GLY H 2.980 . 4.160 1.902 1.781 2.330 0.019 15 0 "[ . 1 . 2]" 1
289 1 21 TYR H 1 23 PHE H 3.280 . 4.760 3.774 3.580 3.937 . 0 0 "[ . 1 . 2]" 1
290 1 21 TYR H 1 23 PHE QD 3.650 . 5.500 4.598 4.246 5.080 . 0 0 "[ . 1 . 2]" 1
291 1 21 TYR HA 1 21 TYR QD 3.035 . 4.270 2.572 2.161 2.809 . 0 0 "[ . 1 . 2]" 1
292 1 21 TYR QB 1 22 GLY H 2.855 . 3.910 2.881 2.699 3.082 . 0 0 "[ . 1 . 2]" 1
293 1 21 TYR QB 1 23 PHE QE 3.085 . 4.370 2.051 1.867 2.274 . 0 0 "[ . 1 . 2]" 1
294 1 21 TYR QB 1 45 ALA MB 3.085 . 4.370 3.084 2.625 3.573 . 0 0 "[ . 1 . 2]" 1
295 1 21 TYR HB2 1 22 GLY H 3.220 . 4.640 2.954 2.766 3.183 . 0 0 "[ . 1 . 2]" 1
296 1 21 TYR HB2 1 23 PHE QD 3.155 . 4.510 2.698 2.207 3.176 . 0 0 "[ . 1 . 2]" 1
297 1 21 TYR HB3 1 22 GLY H 3.220 . 4.640 4.003 3.745 4.141 . 0 0 "[ . 1 . 2]" 1
298 1 21 TYR HB3 1 23 PHE QD 3.155 . 4.510 3.220 2.939 3.558 . 0 0 "[ . 1 . 2]" 1
299 1 21 TYR QD 2 5 LEU HB2 3.195 . 4.590 3.488 3.105 4.017 . 0 0 "[ . 1 . 2]" 1
300 1 21 TYR QD 2 5 LEU HB3 2.560 . 3.320 1.939 1.737 2.364 0.063 17 0 "[ . 1 . 2]" 1
301 1 21 TYR QE 1 76 ILE MG 2.935 . 4.070 1.983 1.761 2.334 0.039 8 0 "[ . 1 . 2]" 1
302 1 21 TYR QE 1 83 VAL H 3.470 . 5.140 4.137 3.372 4.997 . 0 0 "[ . 1 . 2]" 1
303 1 21 TYR QE 1 83 VAL HB 3.650 . 5.500 4.187 3.746 4.951 . 0 0 "[ . 1 . 2]" 1
304 1 21 TYR QE 1 83 VAL MG1 3.650 . 5.500 2.754 2.537 3.161 . 0 0 "[ . 1 . 2]" 1
305 1 21 TYR QE 1 83 VAL QG 2.980 . 4.160 2.727 2.526 3.124 . 0 0 "[ . 1 . 2]" 1
306 1 21 TYR QE 1 83 VAL MG2 3.650 . 5.500 4.463 4.071 4.888 . 0 0 "[ . 1 . 2]" 1
307 1 22 GLY H 1 23 PHE H 2.640 . 3.480 2.249 2.076 2.437 . 0 0 "[ . 1 . 2]" 1
308 1 22 GLY H 1 23 PHE QD 3.195 . 4.590 3.638 3.322 4.105 . 0 0 "[ . 1 . 2]" 1
309 1 22 GLY H 1 43 SER QB 3.270 . 4.740 4.142 4.025 4.336 . 0 0 "[ . 1 . 2]" 1
310 1 22 GLY H 2 5 LEU HB2 3.615 . 5.430 3.987 3.244 4.561 . 0 0 "[ . 1 . 2]" 1
311 1 23 PHE H 1 23 PHE HB3 2.995 . 4.190 3.289 3.171 3.418 . 0 0 "[ . 1 . 2]" 1
312 1 23 PHE H 1 23 PHE QD 2.790 . 3.780 2.592 2.356 2.881 . 0 0 "[ . 1 . 2]" 1
313 1 23 PHE H 1 36 ILE MG 3.645 . 5.490 5.541 5.429 5.635 0.145 1 0 "[ . 1 . 2]" 1
314 1 23 PHE H 1 39 VAL HA 3.420 . 5.040 4.966 4.794 5.099 0.059 11 0 "[ . 1 . 2]" 1
315 1 23 PHE H 1 45 ALA MB 2.915 . 4.030 3.959 3.823 4.101 0.071 11 0 "[ . 1 . 2]" 1
316 1 23 PHE H 1 50 LEU QD 3.360 . 4.920 4.918 4.706 5.022 0.102 6 0 "[ . 1 . 2]" 1
317 1 23 PHE H 2 4 ARG QG 2.900 . 4.000 3.614 3.026 4.033 0.033 10 0 "[ . 1 . 2]" 1
318 1 23 PHE H 2 5 LEU H 2.500 . 3.200 3.192 3.024 3.313 0.113 20 0 "[ . 1 . 2]" 1
319 1 23 PHE H 2 5 LEU HB2 2.900 . 4.000 3.093 2.614 3.622 . 0 0 "[ . 1 . 2]" 1
320 1 23 PHE H 2 5 LEU HB3 2.840 . 3.880 4.022 3.894 4.191 0.311 16 0 "[ . 1 . 2]" 1
321 1 23 PHE H 2 5 LEU QD 3.610 . 5.420 4.346 3.765 4.714 . 0 0 "[ . 1 . 2]" 1
322 1 23 PHE HA 1 23 PHE QD 3.210 . 4.620 3.730 3.702 3.744 . 0 0 "[ . 1 . 2]" 1
323 1 23 PHE HA 1 24 HIS H 2.605 . 3.410 2.324 2.261 2.460 . 0 0 "[ . 1 . 2]" 1
324 1 23 PHE HA 1 24 HIS HD2 3.225 . 4.650 3.264 2.693 3.878 . 0 0 "[ . 1 . 2]" 1
325 1 23 PHE HA 1 36 ILE MD 3.650 . 5.500 5.467 5.248 5.566 0.066 15 0 "[ . 1 . 2]" 1
326 1 23 PHE HA 1 36 ILE MG 3.320 . 4.840 4.147 3.983 4.248 . 0 0 "[ . 1 . 2]" 1
327 1 23 PHE HA 1 39 VAL HA 2.835 . 3.870 2.381 2.091 2.653 . 0 0 "[ . 1 . 2]" 1
328 1 23 PHE HA 1 39 VAL QG 3.010 . 4.220 3.287 2.916 3.614 . 0 0 "[ . 1 . 2]" 1
329 1 23 PHE HA 1 45 ALA MB 3.430 . 5.060 4.243 4.030 4.523 . 0 0 "[ . 1 . 2]" 1
330 1 23 PHE HA 1 50 LEU QD 3.620 . 5.440 4.571 4.224 4.819 . 0 0 "[ . 1 . 2]" 1
331 1 23 PHE HB2 1 24 HIS H 3.260 . 4.720 2.541 2.265 2.679 . 0 0 "[ . 1 . 2]" 1
332 1 23 PHE HB2 1 36 ILE MD 3.290 . 4.780 3.363 3.088 3.499 . 0 0 "[ . 1 . 2]" 1
333 1 23 PHE HB2 1 36 ILE MG 2.955 . 4.110 2.313 2.172 2.423 . 0 0 "[ . 1 . 2]" 1
334 1 23 PHE HB2 1 37 ARG H 3.250 . 4.700 4.750 4.653 4.807 0.107 8 0 "[ . 1 . 2]" 1
335 1 23 PHE HB2 1 39 VAL QG 3.065 . 4.330 2.749 2.157 3.744 . 0 0 "[ . 1 . 2]" 1
336 1 23 PHE HB2 1 45 ALA MB 3.275 . 4.750 3.929 3.715 4.256 . 0 0 "[ . 1 . 2]" 1
337 1 23 PHE HB2 1 50 LEU QD 3.135 . 4.470 2.986 2.690 3.318 . 0 0 "[ . 1 . 2]" 1
338 1 23 PHE HB3 1 24 HIS H 3.140 . 4.480 3.817 3.670 3.948 . 0 0 "[ . 1 . 2]" 1
339 1 23 PHE HB3 1 36 ILE MD 3.515 . 5.230 4.353 4.065 4.511 . 0 0 "[ . 1 . 2]" 1
340 1 23 PHE HB3 1 36 ILE MG 2.925 . 4.050 3.468 3.202 3.656 . 0 0 "[ . 1 . 2]" 1
341 1 23 PHE HB3 1 39 VAL QG 3.050 . 4.300 2.321 1.812 2.881 . 0 0 "[ . 1 . 2]" 1
342 1 23 PHE HB3 1 45 ALA MB 2.835 . 3.870 2.620 2.402 2.962 . 0 0 "[ . 1 . 2]" 1
343 1 23 PHE HB3 1 50 LEU QD 3.020 . 4.240 2.728 2.390 2.969 . 0 0 "[ . 1 . 2]" 1
344 1 23 PHE QD 1 25 LEU QD 2.985 . 4.170 3.494 3.119 3.826 . 0 0 "[ . 1 . 2]" 1
345 1 23 PHE QD 1 36 ILE HG12 3.325 . 4.850 4.878 4.791 4.912 0.062 14 0 "[ . 1 . 2]" 1
346 1 23 PHE QD 1 36 ILE QG 2.960 . 4.120 4.026 3.897 4.123 0.003 10 0 "[ . 1 . 2]" 1
347 1 23 PHE QD 1 36 ILE HG13 3.325 . 4.850 4.292 4.126 4.455 . 0 0 "[ . 1 . 2]" 1
348 1 23 PHE QD 1 36 ILE MG 3.420 . 3.630 2.316 2.108 2.682 . 0 0 "[ . 1 . 2]" 1
349 1 23 PHE QD 1 39 VAL QG 3.135 . 4.470 3.634 3.258 4.299 . 0 0 "[ . 1 . 2]" 1
350 1 23 PHE QD 1 45 ALA H 3.385 . 4.970 4.520 4.096 4.898 . 0 0 "[ . 1 . 2]" 1
351 1 23 PHE QD 1 45 ALA MB 2.650 . 3.500 2.207 1.861 2.662 . 0 0 "[ . 1 . 2]" 1
352 1 23 PHE QD 1 50 LEU QD 2.780 . 3.760 2.847 2.705 2.968 . 0 0 "[ . 1 . 2]" 1
353 1 23 PHE QD 1 50 LEU HG 3.650 . 5.500 5.252 4.774 5.516 0.016 17 0 "[ . 1 . 2]" 1
354 1 23 PHE QD 2 5 LEU QD 2.960 . 4.120 3.468 2.995 3.966 . 0 0 "[ . 1 . 2]" 1
355 1 23 PHE QE 1 25 LEU QD 3.065 . 4.330 2.469 1.910 3.219 . 0 0 "[ . 1 . 2]" 1
356 1 23 PHE QE 1 36 ILE MD 3.080 . 4.360 2.485 2.331 2.702 . 0 0 "[ . 1 . 2]" 1
357 1 23 PHE QE 1 56 LEU MD1 3.410 . 5.020 4.770 4.345 5.035 0.015 10 0 "[ . 1 . 2]" 1
358 1 23 PHE QE 1 56 LEU MD2 3.410 . 5.020 3.836 3.099 4.419 . 0 0 "[ . 1 . 2]" 1
359 1 23 PHE QE 1 85 LEU QD 3.365 . 4.930 3.154 2.638 3.792 . 0 0 "[ . 1 . 2]" 1
360 1 23 PHE HZ 1 25 LEU QD 3.620 . 5.440 4.293 3.523 5.253 . 0 0 "[ . 1 . 2]" 1
361 1 23 PHE HZ 1 36 ILE MD 3.125 . 4.450 4.084 3.846 4.263 . 0 0 "[ . 1 . 2]" 1
362 1 23 PHE HZ 1 50 LEU MD1 3.320 . 4.840 4.042 3.238 4.924 0.084 9 0 "[ . 1 . 2]" 1
363 1 23 PHE HZ 1 50 LEU MD2 3.320 . 4.840 4.521 3.468 4.897 0.057 20 0 "[ . 1 . 2]" 1
364 1 23 PHE HZ 1 76 ILE MD 2.785 . 3.770 2.393 1.809 3.276 . 0 0 "[ . 1 . 2]" 1
365 1 23 PHE HZ 1 76 ILE MG 3.100 . 4.400 2.465 2.050 3.050 . 0 0 "[ . 1 . 2]" 1
366 1 23 PHE HZ 1 85 LEU QD 3.095 . 4.390 2.612 1.877 3.349 . 0 0 "[ . 1 . 2]" 1
367 1 23 PHE HZ 2 5 LEU HB2 3.350 . 4.900 3.852 3.334 4.452 . 0 0 "[ . 1 . 2]" 1
368 1 23 PHE HZ 2 5 LEU HB3 3.150 . 4.500 3.847 3.261 4.703 0.203 15 0 "[ . 1 . 2]" 1
369 1 23 PHE HZ 2 5 LEU QD 2.915 . 4.030 3.087 2.120 3.857 . 0 0 "[ . 1 . 2]" 1
370 1 24 HIS H 1 24 HIS QB 2.760 . 3.720 2.536 2.299 3.153 . 0 0 "[ . 1 . 2]" 1
371 1 24 HIS H 1 24 HIS HD2 3.120 . 4.440 2.852 2.571 3.402 . 0 0 "[ . 1 . 2]" 1
372 1 24 HIS H 1 36 ILE MD 3.290 . 4.780 4.734 4.189 4.837 0.057 12 0 "[ . 1 . 2]" 1
373 1 24 HIS H 1 36 ILE MG 3.150 . 4.500 3.310 2.992 3.708 . 0 0 "[ . 1 . 2]" 1
374 1 24 HIS H 1 38 LEU H 2.825 . 3.850 2.857 2.539 3.735 . 0 0 "[ . 1 . 2]" 1
375 1 24 HIS H 1 39 VAL HA 3.575 . 5.350 3.631 3.243 4.039 . 0 0 "[ . 1 . 2]" 1
376 1 24 HIS HA 1 24 HIS HD2 3.150 . 4.500 3.927 3.498 4.514 0.014 12 0 "[ . 1 . 2]" 1
377 1 24 HIS HD2 1 38 LEU QD 2.965 . 4.130 3.411 2.475 4.035 . 0 0 "[ . 1 . 2]" 1
378 1 24 HIS HD2 1 38 LEU HG 3.400 . 5.000 4.039 3.094 5.036 0.036 17 0 "[ . 1 . 2]" 1
379 1 25 LEU H 1 73 VAL MG1 3.475 . 5.150 5.205 4.950 5.504 0.354 4 0 "[ . 1 . 2]" 1
380 1 25 LEU H 2 3 THR H 3.150 . 4.500 3.761 3.093 4.569 0.069 11 0 "[ . 1 . 2]" 1
381 1 25 LEU H 2 4 ARG HA 2.885 . 3.970 3.406 2.708 3.911 . 0 0 "[ . 1 . 2]" 1
382 1 25 LEU H 2 5 LEU H 3.150 . 4.500 3.933 3.390 4.508 0.008 15 0 "[ . 1 . 2]" 1
383 1 25 LEU H 2 5 LEU QD 3.845 . 5.890 2.951 2.327 4.046 . 0 0 "[ . 1 . 2]" 1
384 1 25 LEU HA 1 25 LEU MD1 3.180 . 4.560 3.119 2.508 3.689 . 0 0 "[ . 1 . 2]" 1
385 1 25 LEU HA 1 25 LEU QD 2.630 . 3.460 2.382 1.844 3.114 . 0 0 "[ . 1 . 2]" 1
386 1 25 LEU HA 1 25 LEU MD2 3.180 . 4.560 2.648 1.870 3.832 . 0 0 "[ . 1 . 2]" 1
387 1 25 LEU HA 1 36 ILE MD 3.150 . 4.500 3.140 2.792 3.400 . 0 0 "[ . 1 . 2]" 1
388 1 25 LEU HA 1 37 ARG H 3.425 . 5.050 3.093 2.485 3.802 . 0 0 "[ . 1 . 2]" 1
389 1 25 LEU QB 1 69 HIS HE1 3.150 . 4.500 2.996 2.665 3.454 . 0 0 "[ . 1 . 2]" 1
390 1 25 LEU QD 1 26 HIS H 2.875 . 3.950 2.556 2.203 3.139 . 0 0 "[ . 1 . 2]" 1
391 1 25 LEU QD 1 34 GLN H 3.620 . 5.440 4.532 4.177 4.956 . 0 0 "[ . 1 . 2]" 1
392 1 25 LEU QD 1 34 GLN HA 3.195 . 4.590 2.606 1.785 3.377 0.015 18 0 "[ . 1 . 2]" 1
393 1 25 LEU QD 1 34 GLN QB 2.690 . 3.580 2.041 1.756 2.444 0.044 2 0 "[ . 1 . 2]" 1
394 1 25 LEU QD 1 34 GLN QE 3.535 . 5.270 4.186 3.667 4.544 . 0 0 "[ . 1 . 2]" 1
395 1 25 LEU QD 1 34 GLN QG 3.215 . 4.630 3.042 1.929 3.561 . 0 0 "[ . 1 . 2]" 1
396 1 25 LEU QD 1 35 TYR H 2.935 . 4.070 2.645 2.084 3.263 . 0 0 "[ . 1 . 2]" 1
397 1 25 LEU QD 1 35 TYR HB2 3.270 . 4.740 4.420 3.888 4.809 0.069 6 0 "[ . 1 . 2]" 1
398 1 25 LEU QD 1 36 ILE MD 2.595 . 3.390 1.973 1.764 2.330 0.036 9 0 "[ . 1 . 2]" 1
399 1 25 LEU QD 1 55 ARG HA 3.500 . 5.200 4.688 4.354 5.056 . 0 0 "[ . 1 . 2]" 1
400 1 25 LEU QD 1 69 HIS HA 3.080 . 4.360 3.792 3.122 4.377 0.017 15 0 "[ . 1 . 2]" 1
401 1 25 LEU QD 1 69 HIS QB 3.325 . 4.850 4.191 3.643 4.660 . 0 0 "[ . 1 . 2]" 1
402 1 25 LEU QD 1 72 VAL HB 3.090 . 4.380 3.487 2.871 4.295 . 0 0 "[ . 1 . 2]" 1
403 1 25 LEU QD 1 72 VAL QG 2.585 . 3.370 2.776 2.411 3.363 . 0 0 "[ . 1 . 2]" 1
404 1 25 LEU MD1 1 26 HIS H 3.380 . 4.960 3.346 2.337 4.682 . 0 0 "[ . 1 . 2]" 1
405 1 25 LEU MD1 1 35 TYR HA 3.150 . 4.500 4.488 3.489 5.373 0.873 10 2 "[ . - + . 2]" 1
406 1 25 LEU MD2 1 26 HIS H 3.380 . 4.960 2.852 2.394 3.812 . 0 0 "[ . 1 . 2]" 1
407 1 25 LEU MD2 1 26 HIS QB 3.260 . 4.720 4.575 4.124 5.161 0.441 15 0 "[ . 1 . 2]" 1
408 1 25 LEU HG 1 26 HIS H 3.425 . 5.050 3.814 2.157 4.953 . 0 0 "[ . 1 . 2]" 1
409 1 25 LEU HG 1 36 ILE MD 3.150 . 4.500 3.476 1.942 4.520 0.020 16 0 "[ . 1 . 2]" 1
410 1 25 LEU HG 1 56 LEU QB 3.545 . 5.290 4.592 4.171 5.292 0.002 6 0 "[ . 1 . 2]" 1
411 1 25 LEU HG 1 69 HIS HE1 3.150 . 4.500 4.338 3.621 4.542 0.042 12 0 "[ . 1 . 2]" 1
412 1 26 HIS H 1 26 HIS QB 2.750 . 3.700 2.602 2.244 3.006 . 0 0 "[ . 1 . 2]" 1
413 1 26 HIS H 1 26 HIS HD2 3.225 . 4.650 3.712 2.322 4.823 0.173 8 0 "[ . 1 . 2]" 1
414 1 26 HIS H 1 27 GLY QA 3.305 . 4.810 4.620 4.427 4.695 . 0 0 "[ . 1 . 2]" 1
415 1 26 HIS H 1 35 TYR H 3.195 . 4.590 3.201 2.908 3.596 . 0 0 "[ . 1 . 2]" 1
416 1 26 HIS H 1 35 TYR HB3 3.650 . 5.500 5.063 4.667 5.392 . 0 0 "[ . 1 . 2]" 1
417 1 26 HIS HA 1 27 GLY H 2.510 . 3.220 2.196 2.089 2.262 . 0 0 "[ . 1 . 2]" 1
418 1 26 HIS HA 2 3 THR H 2.900 . 4.000 3.736 2.716 4.195 0.195 10 0 "[ . 1 . 2]" 1
419 1 26 HIS QB 1 27 GLY H 2.940 . 4.080 3.264 2.791 3.850 . 0 0 "[ . 1 . 2]" 1
420 1 27 GLY H 1 28 GLU H 3.220 . 4.640 4.349 4.179 4.493 . 0 0 "[ . 1 . 2]" 1
421 1 27 GLY QA 1 28 GLU H 2.460 . 3.120 2.124 2.068 2.235 . 0 0 "[ . 1 . 2]" 1
422 1 28 GLU H 1 28 GLU HB2 2.915 . 4.030 2.929 2.185 3.808 . 0 0 "[ . 1 . 2]" 1
423 1 28 GLU H 1 28 GLU QB 2.610 . 3.420 2.668 2.164 3.176 . 0 0 "[ . 1 . 2]" 1
424 1 28 GLU H 1 28 GLU HB3 2.915 . 4.030 3.505 2.925 3.814 . 0 0 "[ . 1 . 2]" 1
425 1 28 GLU H 1 28 GLU HG2 3.560 . 5.320 2.864 1.781 4.044 0.019 2 0 "[ . 1 . 2]" 1
426 1 28 GLU H 1 28 GLU QG 3.185 . 4.570 2.404 1.761 3.534 0.039 2 0 "[ . 1 . 2]" 1
427 1 28 GLU H 1 28 GLU HG3 3.560 . 5.320 3.113 2.295 4.268 . 0 0 "[ . 1 . 2]" 1
428 1 28 GLU H 1 29 LYS H 3.345 . 4.890 4.488 4.149 4.604 . 0 0 "[ . 1 . 2]" 1
429 1 28 GLU H 1 35 TYR QD 3.345 . 4.890 4.513 3.494 4.951 0.061 2 0 "[ . 1 . 2]" 1
430 1 28 GLU HA 1 28 GLU QG 2.745 . 3.690 2.883 2.367 3.483 . 0 0 "[ . 1 . 2]" 1
431 1 28 GLU HA 1 29 LYS H 2.650 . 3.500 2.303 2.067 2.423 . 0 0 "[ . 1 . 2]" 1
432 1 28 GLU HA 1 29 LYS QB 3.220 . 4.640 4.357 4.055 4.689 0.049 7 0 "[ . 1 . 2]" 1
433 1 28 GLU QG 1 35 TYR QD 3.150 . 4.500 3.780 2.914 4.623 0.123 8 0 "[ . 1 . 2]" 1
434 1 29 LYS H 1 29 LYS QB 2.595 . 3.390 2.720 2.231 3.416 0.026 12 0 "[ . 1 . 2]" 1
435 1 29 LYS H 1 29 LYS QG 3.145 . 4.490 3.330 2.231 4.346 . 0 0 "[ . 1 . 2]" 1
436 1 29 LYS HA 1 29 LYS HE2 3.650 . 5.500 4.492 2.816 5.633 0.133 6 0 "[ . 1 . 2]" 1
437 1 29 LYS HA 1 29 LYS HE3 3.650 . 5.500 4.387 2.541 5.259 . 0 0 "[ . 1 . 2]" 1
438 1 29 LYS HA 1 29 LYS HG2 3.000 . 4.200 3.123 2.250 3.788 . 0 0 "[ . 1 . 2]" 1
439 1 29 LYS HA 1 29 LYS QG 2.630 . 3.460 2.690 2.222 3.364 . 0 0 "[ . 1 . 2]" 1
440 1 29 LYS HA 1 29 LYS HG3 3.000 . 4.200 3.187 2.416 3.788 . 0 0 "[ . 1 . 2]" 1
441 1 29 LYS QE 1 29 LYS QG 2.400 . 3.000 2.376 2.225 2.787 . 0 0 "[ . 1 . 2]" 1
442 1 30 GLY QA 1 31 LYS QB 3.200 . 4.600 4.210 4.041 4.402 . 0 0 "[ . 1 . 2]" 1
443 1 30 GLY QA 1 31 LYS QG 3.300 . 4.800 3.424 3.123 3.693 . 0 0 "[ . 1 . 2]" 1
444 1 30 GLY HA2 1 31 LYS H 2.670 . 3.540 3.340 2.942 3.559 0.019 6 0 "[ . 1 . 2]" 1
445 1 30 GLY HA3 1 31 LYS H 2.670 . 3.540 2.357 2.128 3.137 . 0 0 "[ . 1 . 2]" 1
446 1 31 LYS H 1 31 LYS QB 2.400 . 3.000 2.578 2.426 2.757 . 0 0 "[ . 1 . 2]" 1
447 1 31 LYS H 1 31 LYS QG 2.810 . 3.820 2.890 2.593 3.423 . 0 0 "[ . 1 . 2]" 1
448 1 31 LYS H 1 32 LEU H 2.890 . 3.980 2.349 2.030 2.569 . 0 0 "[ . 1 . 2]" 1
449 1 31 LYS H 1 32 LEU HA 3.275 . 4.750 4.785 4.652 4.923 0.173 18 0 "[ . 1 . 2]" 1
450 1 31 LYS H 1 32 LEU HG 3.650 . 5.500 4.560 3.808 5.614 0.114 1 0 "[ . 1 . 2]" 1
451 1 31 LYS HA 1 31 LYS HD2 3.275 . 4.750 4.176 2.033 4.859 0.109 15 0 "[ . 1 . 2]" 1
452 1 31 LYS HA 1 31 LYS HD3 3.275 . 4.750 3.894 1.937 4.846 0.096 7 0 "[ . 1 . 2]" 1
453 1 31 LYS QB 1 31 LYS QE 3.175 . 4.550 3.285 1.783 3.713 0.017 7 0 "[ . 1 . 2]" 1
454 1 31 LYS QB 1 32 LEU H 3.005 . 4.210 2.072 1.931 2.293 . 0 0 "[ . 1 . 2]" 1
455 1 31 LYS QB 1 66 LYS QB 3.065 . 4.330 4.098 3.195 4.414 0.084 15 0 "[ . 1 . 2]" 1
456 1 31 LYS QG 1 32 LEU H 2.820 . 3.840 3.833 3.647 3.958 0.118 1 0 "[ . 1 . 2]" 1
457 1 32 LEU H 1 32 LEU QB 2.555 . 3.310 2.557 2.376 2.998 . 0 0 "[ . 1 . 2]" 1
458 1 32 LEU H 1 32 LEU QD 2.930 . 4.060 2.621 1.756 3.215 0.044 20 0 "[ . 1 . 2]" 1
459 1 32 LEU H 1 32 LEU HG 2.535 . 3.270 2.465 1.757 3.315 0.045 11 0 "[ . 1 . 2]" 1
460 1 32 LEU HA 1 32 LEU MD1 3.020 . 4.240 3.747 3.184 4.078 . 0 0 "[ . 1 . 2]" 1
461 1 32 LEU HA 1 32 LEU QD 2.610 . 3.420 2.525 2.034 3.427 0.007 18 0 "[ . 1 . 2]" 1
462 1 32 LEU HA 1 32 LEU MD2 3.020 . 4.240 2.713 2.041 4.001 . 0 0 "[ . 1 . 2]" 1
463 1 32 LEU HA 1 32 LEU HG 2.965 . 4.130 3.144 2.346 3.709 . 0 0 "[ . 1 . 2]" 1
464 1 32 LEU HA 1 33 GLY H 2.400 . 3.000 2.138 2.058 2.196 . 0 0 "[ . 1 . 2]" 1
465 1 32 LEU QB 1 32 LEU QD 2.400 . 3.000 1.921 1.862 1.961 . 0 0 "[ . 1 . 2]" 1
466 1 32 LEU QB 1 33 GLY H 2.545 . 3.290 3.196 2.806 3.385 0.095 7 0 "[ . 1 . 2]" 1
467 1 32 LEU QD 1 33 GLY H 2.905 . 4.010 3.851 3.634 4.257 0.247 1 0 "[ . 1 . 2]" 1
468 1 32 LEU QD 1 66 LYS HA 2.880 . 3.960 2.350 1.853 2.820 . 0 0 "[ . 1 . 2]" 1
469 1 32 LEU QD 1 66 LYS QB 2.595 . 3.390 3.371 2.693 3.509 0.119 9 0 "[ . 1 . 2]" 1
470 1 32 LEU QD 1 66 LYS QG 2.815 . 3.830 3.163 1.767 3.836 0.033 9 0 "[ . 1 . 2]" 1
471 1 32 LEU MD1 1 33 GLY H 3.470 . 5.140 4.944 3.889 5.231 0.091 19 0 "[ . 1 . 2]" 1
472 1 32 LEU MD1 1 66 LYS QD 3.000 . 4.200 3.714 2.416 4.812 0.612 14 1 "[ . 1 +. 2]" 1
473 1 32 LEU MD2 1 33 GLY H 3.470 . 5.140 4.175 3.709 5.080 . 0 0 "[ . 1 . 2]" 1
474 1 32 LEU HG 1 33 GLY H 3.615 . 5.430 4.949 4.227 5.326 . 0 0 "[ . 1 . 2]" 1
475 1 33 GLY H 1 34 GLN HE21 3.195 . 4.590 3.617 2.840 4.481 . 0 0 "[ . 1 . 2]" 1
476 1 33 GLY H 1 34 GLN QE 2.915 . 4.030 2.961 1.919 3.370 . 0 0 "[ . 1 . 2]" 1
477 1 33 GLY H 1 34 GLN HE22 3.195 . 4.590 3.532 1.951 4.676 0.086 7 0 "[ . 1 . 2]" 1
478 1 33 GLY QA 1 34 GLN H 2.455 . 3.110 2.544 2.325 2.839 . 0 0 "[ . 1 . 2]" 1
479 1 33 GLY QA 1 34 GLN QE 3.340 . 4.880 4.327 3.789 4.888 0.008 6 0 "[ . 1 . 2]" 1
480 1 34 GLN H 1 34 GLN QB 2.725 . 3.650 2.658 2.199 3.131 . 0 0 "[ . 1 . 2]" 1
481 1 34 GLN H 1 34 GLN QE 3.545 . 5.290 3.727 3.261 4.035 . 0 0 "[ . 1 . 2]" 1
482 1 34 GLN H 1 34 GLN HG2 3.005 . 4.210 3.067 2.358 4.227 0.017 16 0 "[ . 1 . 2]" 1
483 1 34 GLN H 1 34 GLN QG 2.750 . 3.700 2.831 2.337 3.745 0.045 15 0 "[ . 1 . 2]" 1
484 1 34 GLN H 1 34 GLN HG3 3.005 . 4.210 3.821 3.627 4.315 0.105 15 0 "[ . 1 . 2]" 1
485 1 34 GLN H 1 35 TYR H 3.285 . 4.770 4.317 4.139 4.408 . 0 0 "[ . 1 . 2]" 1
486 1 34 GLN HA 1 35 TYR H 2.660 . 3.520 2.148 2.085 2.188 . 0 0 "[ . 1 . 2]" 1
487 1 34 GLN QB 1 34 GLN QE 3.225 . 4.650 3.346 1.736 3.734 0.064 18 0 "[ . 1 . 2]" 1
488 1 34 GLN QB 1 36 ILE MD 3.475 . 5.150 4.674 4.397 4.973 . 0 0 "[ . 1 . 2]" 1
489 1 34 GLN QB 1 56 LEU QD 3.020 . 4.240 3.434 2.813 4.284 0.044 5 0 "[ . 1 . 2]" 1
490 1 34 GLN QB 1 69 HIS HA 3.570 . 5.340 4.657 2.837 5.379 0.039 16 0 "[ . 1 . 2]" 1
491 1 34 GLN QB 1 72 VAL QG 2.985 . 4.170 2.766 2.259 3.017 . 0 0 "[ . 1 . 2]" 1
492 1 34 GLN HB2 1 35 TYR H 3.225 . 4.650 4.060 3.407 4.489 . 0 0 "[ . 1 . 2]" 1
493 1 34 GLN HB2 1 56 LEU H 3.175 . 4.550 3.385 2.422 4.576 0.026 2 0 "[ . 1 . 2]" 1
494 1 34 GLN HB3 1 35 TYR H 3.225 . 4.650 3.699 3.462 4.188 . 0 0 "[ . 1 . 2]" 1
495 1 34 GLN QE 1 69 HIS H 3.145 . 4.490 3.873 2.803 4.576 0.086 2 0 "[ . 1 . 2]" 1
496 1 34 GLN QE 1 69 HIS HA 3.120 . 4.440 3.003 2.227 3.599 . 0 0 "[ . 1 . 2]" 1
497 1 34 GLN QE 1 69 HIS QB 3.090 . 4.380 3.784 2.362 4.546 0.166 6 0 "[ . 1 . 2]" 1
498 1 34 GLN QE 1 72 VAL QG 3.160 . 4.520 2.318 1.767 3.001 0.033 5 0 "[ . 1 . 2]" 1
499 1 34 GLN HE21 1 65 GLU HA 3.135 . 4.470 4.418 3.167 5.376 0.906 17 6 "[ . - 1** .*+ *]" 1
500 1 34 GLN QG 1 56 LEU H 3.570 . 5.340 4.331 2.606 5.277 . 0 0 "[ . 1 . 2]" 1
501 1 34 GLN QG 1 56 LEU QD 2.930 . 4.060 3.579 3.090 4.105 0.045 13 0 "[ . 1 . 2]" 1
502 1 34 GLN QG 1 72 VAL QG 3.055 . 4.310 1.916 1.738 2.468 0.062 17 0 "[ . 1 . 2]" 1
503 1 35 TYR H 1 35 TYR HB3 2.900 . 4.000 3.837 3.714 3.885 . 0 0 "[ . 1 . 2]" 1
504 1 35 TYR H 1 35 TYR QD 2.990 . 4.180 3.300 2.819 3.643 . 0 0 "[ . 1 . 2]" 1
505 1 35 TYR H 1 36 ILE HA 3.350 . 4.900 4.845 4.663 4.994 0.094 10 0 "[ . 1 . 2]" 1
506 1 35 TYR H 1 36 ILE MD 3.405 . 5.010 4.720 4.319 4.984 . 0 0 "[ . 1 . 2]" 1
507 1 35 TYR H 1 56 LEU H 3.650 . 5.500 5.086 4.641 5.603 0.103 2 0 "[ . 1 . 2]" 1
508 1 35 TYR HA 1 35 TYR QD 3.025 . 4.250 2.741 2.392 3.085 . 0 0 "[ . 1 . 2]" 1
509 1 35 TYR HA 1 36 ILE MD 3.110 . 4.420 3.986 3.698 4.329 . 0 0 "[ . 1 . 2]" 1
510 1 35 TYR HA 1 36 ILE MG 3.620 . 5.440 5.468 5.412 5.505 0.065 13 0 "[ . 1 . 2]" 1
511 1 35 TYR HA 1 55 ARG HA 3.065 . 4.330 2.585 2.083 3.095 . 0 0 "[ . 1 . 2]" 1
512 1 35 TYR HA 1 56 LEU H 2.955 . 4.110 3.508 3.012 4.137 0.027 11 0 "[ . 1 . 2]" 1
513 1 35 TYR HB3 1 36 ILE H 2.885 . 3.970 2.898 2.466 3.243 . 0 0 "[ . 1 . 2]" 1
514 1 35 TYR QD 1 36 ILE H 3.225 . 4.650 3.836 3.535 4.104 . 0 0 "[ . 1 . 2]" 1
515 1 35 TYR QD 1 56 LEU H 3.650 . 5.500 4.817 3.753 5.408 . 0 0 "[ . 1 . 2]" 1
516 1 35 TYR QE 1 55 ARG H 3.570 . 5.340 5.062 4.277 5.409 0.069 17 0 "[ . 1 . 2]" 1
517 1 35 TYR QE 1 55 ARG HA 3.145 . 4.490 4.204 3.520 4.507 0.017 1 0 "[ . 1 . 2]" 1
518 1 35 TYR QE 1 55 ARG QB 2.845 . 3.890 2.858 2.058 3.945 0.055 15 0 "[ . 1 . 2]" 1
519 1 36 ILE H 1 36 ILE HB 2.905 . 4.010 2.654 2.494 2.717 . 0 0 "[ . 1 . 2]" 1
520 1 36 ILE H 1 36 ILE MD 3.035 . 4.270 3.056 2.913 3.309 . 0 0 "[ . 1 . 2]" 1
521 1 36 ILE H 1 36 ILE HG12 3.025 . 4.250 2.071 1.934 2.200 . 0 0 "[ . 1 . 2]" 1
522 1 36 ILE H 1 36 ILE QG 2.720 . 3.640 2.058 1.925 2.184 . 0 0 "[ . 1 . 2]" 1
523 1 36 ILE H 1 36 ILE HG13 3.025 . 4.250 3.600 3.505 3.700 . 0 0 "[ . 1 . 2]" 1
524 1 36 ILE H 1 36 ILE MG 2.955 . 4.110 3.791 3.762 3.810 . 0 0 "[ . 1 . 2]" 1
525 1 36 ILE H 1 55 ARG HA 3.390 . 4.980 3.731 3.296 4.444 . 0 0 "[ . 1 . 2]" 1
526 1 36 ILE HA 1 36 ILE MD 2.815 . 3.830 2.171 2.091 2.285 . 0 0 "[ . 1 . 2]" 1
527 1 36 ILE HA 1 36 ILE MG 2.790 . 3.780 2.312 2.273 2.434 . 0 0 "[ . 1 . 2]" 1
528 1 36 ILE HB 1 36 ILE MD 2.955 . 4.110 3.234 3.225 3.239 . 0 0 "[ . 1 . 2]" 1
529 1 36 ILE HB 1 50 LEU QD 3.255 . 4.710 3.645 3.350 3.983 . 0 0 "[ . 1 . 2]" 1
530 1 36 ILE HB 1 52 ALA HA 2.875 . 3.950 2.732 2.222 3.572 . 0 0 "[ . 1 . 2]" 1
531 1 36 ILE HB 1 53 GLY H 2.970 . 4.140 2.125 1.753 2.889 0.047 7 0 "[ . 1 . 2]" 1
532 1 36 ILE HB 1 54 ASP H 2.675 . 3.550 2.497 2.066 2.849 . 0 0 "[ . 1 . 2]" 1
533 1 36 ILE MD 1 36 ILE MG 2.505 . 3.210 1.981 1.919 2.050 . 0 0 "[ . 1 . 2]" 1
534 1 36 ILE MD 1 37 ARG H 3.180 . 4.560 3.923 3.791 4.079 . 0 0 "[ . 1 . 2]" 1
535 1 36 ILE MD 1 53 GLY H 3.650 . 5.500 4.866 4.552 5.433 . 0 0 "[ . 1 . 2]" 1
536 1 36 ILE MD 1 54 ASP H 3.235 . 4.670 4.630 4.336 4.758 0.088 12 0 "[ . 1 . 2]" 1
537 1 36 ILE MD 1 54 ASP QB 3.650 . 5.500 3.807 3.438 4.897 . 0 0 "[ . 1 . 2]" 1
538 1 36 ILE MD 1 55 ARG HA 3.355 . 4.910 4.766 4.362 5.003 0.093 14 0 "[ . 1 . 2]" 1
539 1 36 ILE QG 1 36 ILE MG 2.535 . 3.270 2.296 2.275 2.329 . 0 0 "[ . 1 . 2]" 1
540 1 36 ILE QG 1 53 GLY H 2.910 . 4.020 3.552 3.182 4.041 0.021 18 0 "[ . 1 . 2]" 1
541 1 36 ILE QG 1 54 ASP H 2.680 . 3.560 3.023 2.660 3.163 . 0 0 "[ . 1 . 2]" 1
542 1 36 ILE QG 1 87 VAL MG1 3.415 . 5.030 3.303 3.036 3.563 . 0 0 "[ . 1 . 2]" 1
543 1 36 ILE HG12 1 36 ILE MG 2.790 . 3.780 3.201 3.196 3.206 . 0 0 "[ . 1 . 2]" 1
544 1 36 ILE HG12 1 54 ASP H 2.985 . 4.170 3.350 2.813 3.684 . 0 0 "[ . 1 . 2]" 1
545 1 36 ILE HG13 1 36 ILE MG 2.790 . 3.780 2.353 2.328 2.392 . 0 0 "[ . 1 . 2]" 1
546 1 36 ILE HG13 1 54 ASP H 2.985 . 4.170 3.465 3.245 3.634 . 0 0 "[ . 1 . 2]" 1
547 1 36 ILE MG 1 37 ARG H 2.985 . 4.170 2.711 2.464 3.052 . 0 0 "[ . 1 . 2]" 1
548 1 36 ILE MG 1 37 ARG HA 3.250 . 4.700 4.125 3.979 4.286 . 0 0 "[ . 1 . 2]" 1
549 1 36 ILE MG 1 38 LEU H 3.350 . 4.900 2.705 2.396 2.920 . 0 0 "[ . 1 . 2]" 1
550 1 36 ILE MG 1 39 VAL HA 3.445 . 5.090 3.965 3.740 4.165 . 0 0 "[ . 1 . 2]" 1
551 1 36 ILE MG 1 50 LEU MD1 3.335 . 4.870 3.621 3.175 3.873 . 0 0 "[ . 1 . 2]" 1
552 1 36 ILE MG 1 50 LEU QD 2.600 . 3.400 2.119 1.796 2.538 0.004 7 0 "[ . 1 . 2]" 1
553 1 36 ILE MG 1 50 LEU MD2 3.335 . 4.870 2.144 1.801 2.618 . 0 0 "[ . 1 . 2]" 1
554 1 36 ILE MG 1 52 ALA H 3.130 . 4.460 4.285 3.946 4.465 0.005 11 0 "[ . 1 . 2]" 1
555 1 36 ILE MG 1 52 ALA HA 2.775 . 3.750 2.224 2.018 2.534 . 0 0 "[ . 1 . 2]" 1
556 1 36 ILE MG 1 52 ALA MB 2.980 . 4.160 3.232 2.888 3.645 . 0 0 "[ . 1 . 2]" 1
557 1 36 ILE MG 1 53 GLY H 3.040 . 4.280 3.271 2.632 3.878 . 0 0 "[ . 1 . 2]" 1
558 1 36 ILE MG 1 54 ASP H 3.070 . 4.340 3.869 3.345 4.115 . 0 0 "[ . 1 . 2]" 1
559 1 36 ILE MG 1 54 ASP QB 3.080 . 4.360 4.088 3.642 4.386 0.026 10 0 "[ . 1 . 2]" 1
560 1 37 ARG H 1 37 ARG QB 2.725 . 3.650 2.344 2.236 2.718 . 0 0 "[ . 1 . 2]" 1
561 1 37 ARG H 1 37 ARG QD 3.275 . 4.750 4.429 3.860 4.859 0.109 9 0 "[ . 1 . 2]" 1
562 1 37 ARG H 1 37 ARG QG 3.240 . 4.680 3.756 2.399 4.063 . 0 0 "[ . 1 . 2]" 1
563 1 37 ARG H 1 38 LEU H 3.200 . 4.600 2.300 2.093 2.491 . 0 0 "[ . 1 . 2]" 1
564 1 37 ARG HA 1 37 ARG QD 3.205 . 4.610 3.154 1.993 4.269 . 0 0 "[ . 1 . 2]" 1
565 1 37 ARG HA 1 37 ARG QG 2.670 . 3.540 2.646 2.266 3.349 . 0 0 "[ . 1 . 2]" 1
566 1 38 LEU HA 1 38 LEU QD 2.845 . 3.890 2.049 1.858 2.165 . 0 0 "[ . 1 . 2]" 1
567 1 38 LEU HA 1 38 LEU HG 2.845 . 3.890 3.174 2.991 3.686 . 0 0 "[ . 1 . 2]" 1
568 1 38 LEU HA 1 39 VAL H 2.650 . 3.500 2.189 2.138 2.262 . 0 0 "[ . 1 . 2]" 1
569 1 38 LEU HA 1 52 ALA HA 3.130 . 4.460 3.840 3.282 4.479 0.019 8 0 "[ . 1 . 2]" 1
570 1 38 LEU HA 1 52 ALA MB 2.700 . 3.600 2.241 1.780 3.055 0.020 4 0 "[ . 1 . 2]" 1
571 1 38 LEU QD 1 39 VAL H 3.095 . 3.580 2.197 1.780 2.548 0.020 2 0 "[ . 1 . 2]" 1
572 1 38 LEU QD 1 40 GLU H 3.400 . 5.000 4.596 3.359 4.991 . 0 0 "[ . 1 . 2]" 1
573 1 38 LEU HG 1 39 VAL H 3.095 . 4.390 2.991 2.445 4.464 0.074 2 0 "[ . 1 . 2]" 1
574 1 39 VAL H 1 39 VAL HB 2.845 . 3.890 2.796 2.459 3.794 . 0 0 "[ . 1 . 2]" 1
575 1 39 VAL H 1 39 VAL QG 2.865 . 3.930 2.491 2.025 2.727 . 0 0 "[ . 1 . 2]" 1
576 1 39 VAL H 1 52 ALA MB 3.095 . 4.390 2.411 1.940 3.092 . 0 0 "[ . 1 . 2]" 1
577 1 39 VAL HA 1 39 VAL MG1 2.655 . 3.510 2.560 2.344 3.225 . 0 0 "[ . 1 . 2]" 1
578 1 39 VAL HA 1 39 VAL MG2 2.655 . 3.510 2.446 2.310 3.224 . 0 0 "[ . 1 . 2]" 1
579 1 39 VAL HA 1 40 GLU H 2.675 . 3.550 2.185 2.142 2.220 . 0 0 "[ . 1 . 2]" 1
580 1 39 VAL HA 1 45 ALA MB 3.235 . 4.670 4.026 3.666 4.475 . 0 0 "[ . 1 . 2]" 1
581 1 39 VAL QG 1 40 GLU H 2.910 . 4.020 2.563 2.355 3.400 . 0 0 "[ . 1 . 2]" 1
582 1 39 VAL QG 1 40 GLU HB2 3.425 . 5.050 4.466 4.091 5.020 . 0 0 "[ . 1 . 2]" 1
583 1 39 VAL QG 1 43 SER H 3.420 . 5.040 4.224 3.966 5.066 0.026 3 0 "[ . 1 . 2]" 1
584 1 39 VAL QG 1 45 ALA H 3.175 . 4.550 4.007 3.715 4.639 0.089 3 0 "[ . 1 . 2]" 1
585 1 39 VAL QG 1 45 ALA MB 2.530 . 3.260 2.013 1.775 2.547 0.025 18 0 "[ . 1 . 2]" 1
586 1 39 VAL QG 1 46 GLU H 2.860 . 3.920 2.837 2.487 3.534 . 0 0 "[ . 1 . 2]" 1
587 1 39 VAL QG 1 46 GLU HA 2.845 . 3.890 2.902 2.440 3.325 . 0 0 "[ . 1 . 2]" 1
588 1 39 VAL QG 1 46 GLU QB 2.920 . 4.040 2.359 1.783 3.850 0.017 19 0 "[ . 1 . 2]" 1
589 1 39 VAL QG 1 46 GLU QG 2.970 . 4.140 2.908 2.109 3.511 . 0 0 "[ . 1 . 2]" 1
590 1 39 VAL QG 1 51 LEU HA 2.865 . 3.930 2.864 2.342 3.256 . 0 0 "[ . 1 . 2]" 1
591 1 39 VAL QG 1 52 ALA H 2.925 . 4.050 2.975 2.580 3.288 . 0 0 "[ . 1 . 2]" 1
592 1 39 VAL QG 1 52 ALA HA 3.160 . 4.520 2.594 1.936 3.641 . 0 0 "[ . 1 . 2]" 1
593 1 39 VAL QG 1 52 ALA MB 2.670 . 3.540 2.230 1.874 2.756 . 0 0 "[ . 1 . 2]" 1
594 1 39 VAL MG1 1 40 GLU H 3.510 . 5.220 2.909 2.386 4.019 . 0 0 "[ . 1 . 2]" 1
595 1 39 VAL MG1 1 45 ALA H 3.650 . 5.500 4.558 3.784 6.250 0.750 8 4 "[ . + 1 * .- * 2]" 1
596 1 39 VAL MG1 1 45 ALA MB 2.775 . 3.750 2.446 1.799 3.911 0.161 8 0 "[ . 1 . 2]" 1
597 1 39 VAL MG1 1 46 GLU HA 2.650 . 3.500 3.136 2.482 4.102 0.602 3 1 "[ + . 1 . 2]" 1
598 1 39 VAL MG1 1 52 ALA MB 3.400 . 5.000 3.736 1.876 4.702 . 0 0 "[ . 1 . 2]" 1
599 1 39 VAL MG2 1 40 GLU H 3.510 . 5.220 3.694 2.375 4.099 . 0 0 "[ . 1 . 2]" 1
600 1 39 VAL MG2 1 45 ALA MB 2.775 . 3.750 2.918 1.778 3.704 0.022 18 0 "[ . 1 . 2]" 1
601 1 39 VAL MG2 1 52 ALA MB 3.010 . 4.220 2.734 1.951 4.618 0.398 18 0 "[ . 1 . 2]" 1
602 1 40 GLU H 1 40 GLU HB2 2.900 . 4.000 2.575 2.232 3.635 . 0 0 "[ . 1 . 2]" 1
603 1 40 GLU H 1 40 GLU HB3 2.805 . 3.810 2.571 2.306 2.846 . 0 0 "[ . 1 . 2]" 1
604 1 40 GLU H 1 40 GLU QG 3.150 . 4.240 3.741 1.993 3.989 . 0 0 "[ . 1 . 2]" 1
605 1 40 GLU H 1 43 SER H 3.475 . 5.150 5.112 4.734 5.229 0.079 4 0 "[ . 1 . 2]" 1
606 1 40 GLU H 1 43 SER QB 3.265 . 4.730 3.387 3.028 4.192 . 0 0 "[ . 1 . 2]" 1
607 1 40 GLU H 1 43 SER HG 3.170 . 4.540 3.065 2.933 3.235 . 0 0 "[ . 1 . 2]" 1
608 1 40 GLU H 1 46 GLU H 3.650 . 5.500 5.482 5.358 5.549 0.049 10 0 "[ . 1 . 2]" 1
609 1 40 GLU HA 1 40 GLU QG 2.955 . 4.110 2.475 2.143 3.335 . 0 0 "[ . 1 . 2]" 1
610 1 40 GLU HA 1 41 PRO HD2 2.640 . 3.480 2.097 1.914 2.489 . 0 0 "[ . 1 . 2]" 1
611 1 40 GLU HA 1 41 PRO HD3 2.640 . 3.480 2.436 2.229 2.613 . 0 0 "[ . 1 . 2]" 1
612 1 40 GLU QB 1 43 SER QB 3.025 . 4.250 2.204 1.756 3.790 0.044 14 0 "[ . 1 . 2]" 1
613 1 40 GLU HB3 1 40 GLU QG 2.400 . 3.000 2.298 2.148 2.493 . 0 0 "[ . 1 . 2]" 1
614 1 40 GLU QG 1 41 PRO QD 2.565 . 3.330 2.156 1.868 3.483 0.153 5 0 "[ . 1 . 2]" 1
615 1 40 GLU QG 1 42 GLY HA3 3.190 . 4.580 3.706 2.951 4.507 . 0 0 "[ . 1 . 2]" 1
616 1 41 PRO HB2 1 42 GLY H 2.925 . 4.050 3.397 2.678 3.518 . 0 0 "[ . 1 . 2]" 1
617 1 41 PRO HB2 1 42 GLY HA2 3.185 . 4.570 4.274 3.935 4.377 . 0 0 "[ . 1 . 2]" 1
618 1 41 PRO HB2 1 42 GLY QA 3.150 . 4.500 3.897 3.559 3.981 . 0 0 "[ . 1 . 2]" 1
619 1 41 PRO HB2 1 42 GLY HA3 3.185 . 4.570 4.501 4.060 4.637 0.067 18 0 "[ . 1 . 2]" 1
620 1 41 PRO HB3 1 42 GLY H 3.150 . 4.500 4.246 3.948 4.281 . 0 0 "[ . 1 . 2]" 1
621 1 41 PRO HG2 1 42 GLY QA 2.985 . 4.170 3.949 3.852 4.210 0.040 4 0 "[ . 1 . 2]" 1
622 1 41 PRO HG3 1 42 GLY H 2.955 . 4.110 4.155 4.043 4.187 0.077 6 0 "[ . 1 . 2]" 1
623 1 42 GLY H 1 43 SER H 2.630 . 3.460 3.034 2.654 3.372 . 0 0 "[ . 1 . 2]" 1
624 1 42 GLY H 1 43 SER HG 3.650 . 5.500 4.085 3.877 4.547 . 0 0 "[ . 1 . 2]" 1
625 1 42 GLY QA 1 43 SER H 2.425 . 3.050 2.675 2.526 2.904 . 0 0 "[ . 1 . 2]" 1
626 1 43 SER H 1 43 SER HG 2.550 . 3.300 2.382 2.047 2.570 . 0 0 "[ . 1 . 2]" 1
627 1 43 SER H 1 45 ALA H 3.360 . 4.920 4.599 4.271 4.917 . 0 0 "[ . 1 . 2]" 1
628 1 43 SER H 1 45 ALA MB 3.555 . 5.310 4.847 4.614 4.988 . 0 0 "[ . 1 . 2]" 1
629 1 43 SER H 1 46 GLU H 3.040 . 4.280 4.085 3.517 4.387 0.107 2 0 "[ . 1 . 2]" 1
630 1 43 SER H 1 46 GLU HG2 3.060 . 4.320 3.234 2.716 4.378 0.058 5 0 "[ . 1 . 2]" 1
631 1 43 SER H 1 46 GLU QG 2.770 . 3.740 2.845 2.536 3.441 . 0 0 "[ . 1 . 2]" 1
632 1 43 SER H 1 46 GLU HG3 3.060 . 4.320 3.261 2.834 4.326 0.006 13 0 "[ . 1 . 2]" 1
633 1 43 SER HA 1 44 PRO HG3 3.260 . 4.720 4.253 4.044 4.559 . 0 0 "[ . 1 . 2]" 1
634 1 43 SER HA 1 45 ALA H 3.040 . 4.280 3.818 3.505 4.085 . 0 0 "[ . 1 . 2]" 1
635 1 43 SER HA 1 45 ALA MB 3.525 . 5.250 4.825 4.489 5.203 . 0 0 "[ . 1 . 2]" 1
636 1 43 SER QB 1 45 ALA H 3.010 . 4.220 2.442 1.980 3.020 . 0 0 "[ . 1 . 2]" 1
637 1 43 SER HG 1 45 ALA H 3.155 . 4.510 3.778 3.243 4.234 . 0 0 "[ . 1 . 2]" 1
638 1 43 SER HG 1 45 ALA MB 3.150 . 4.500 3.189 2.856 3.379 . 0 0 "[ . 1 . 2]" 1
639 1 43 SER HG 1 46 GLU H 2.765 . 3.730 3.175 2.835 3.662 . 0 0 "[ . 1 . 2]" 1
640 1 44 PRO HA 1 46 GLU H 3.305 . 4.810 4.424 4.012 4.618 . 0 0 "[ . 1 . 2]" 1
641 1 44 PRO HA 1 47 LYS H 2.945 . 4.090 3.409 3.095 3.806 . 0 0 "[ . 1 . 2]" 1
642 1 44 PRO HA 1 47 LYS HB2 3.380 . 4.960 3.044 2.131 4.998 0.038 18 0 "[ . 1 . 2]" 1
643 1 44 PRO HA 1 47 LYS QB 3.005 . 4.210 2.833 2.116 4.095 . 0 0 "[ . 1 . 2]" 1
644 1 44 PRO HA 1 47 LYS HB3 3.380 . 4.960 4.118 3.607 4.620 . 0 0 "[ . 1 . 2]" 1
645 1 44 PRO HA 1 47 LYS HD2 3.650 . 5.500 3.833 2.109 4.851 . 0 0 "[ . 1 . 2]" 1
646 1 44 PRO HA 1 47 LYS HD3 3.650 . 5.500 3.461 1.785 4.780 0.015 17 0 "[ . 1 . 2]" 1
647 1 44 PRO HA 1 47 LYS QG 2.970 . 4.140 2.764 1.910 4.135 . 0 0 "[ . 1 . 2]" 1
648 1 44 PRO HB2 1 45 ALA H 2.810 . 3.820 3.376 2.611 3.671 . 0 0 "[ . 1 . 2]" 1
649 1 44 PRO HB2 1 45 ALA MB 3.290 . 4.780 4.487 3.903 4.795 0.015 8 0 "[ . 1 . 2]" 1
650 1 44 PRO HB3 1 45 ALA H 3.155 . 4.510 4.343 3.963 4.460 . 0 0 "[ . 1 . 2]" 1
651 1 45 ALA H 1 45 ALA MB 2.495 . 3.190 2.229 2.221 2.240 . 0 0 "[ . 1 . 2]" 1
652 1 45 ALA H 1 46 GLU H 2.650 . 3.500 2.765 2.660 2.887 . 0 0 "[ . 1 . 2]" 1
653 1 45 ALA H 1 50 LEU QD 3.405 . 5.010 4.957 4.786 5.058 0.048 2 0 "[ . 1 . 2]" 1
654 1 45 ALA HA 1 48 ALA H 3.165 . 4.530 3.495 3.238 3.669 . 0 0 "[ . 1 . 2]" 1
655 1 45 ALA HA 1 48 ALA MB 2.795 . 3.790 2.786 2.496 3.262 . 0 0 "[ . 1 . 2]" 1
656 1 45 ALA HA 1 50 LEU QD 2.875 . 3.950 3.497 3.260 3.648 . 0 0 "[ . 1 . 2]" 1
657 1 45 ALA MB 1 46 GLU H 2.595 . 3.390 2.416 2.324 2.666 . 0 0 "[ . 1 . 2]" 1
658 1 45 ALA MB 1 50 LEU HA 3.605 . 5.410 5.157 4.816 5.440 0.030 9 0 "[ . 1 . 2]" 1
659 1 45 ALA MB 1 50 LEU HB3 3.025 . 4.250 2.497 2.079 2.868 . 0 0 "[ . 1 . 2]" 1
660 1 45 ALA MB 1 50 LEU QD 2.570 . 3.340 2.062 1.819 2.207 . 0 0 "[ . 1 . 2]" 1
661 1 46 GLU H 1 46 GLU QB 2.720 . 3.640 2.599 2.038 2.918 . 0 0 "[ . 1 . 2]" 1
662 1 46 GLU H 1 46 GLU QG 2.700 . 3.600 2.122 1.740 3.748 0.148 5 0 "[ . 1 . 2]" 1
663 1 46 GLU H 1 47 LYS H 2.620 . 3.440 2.602 2.471 2.795 . 0 0 "[ . 1 . 2]" 1
664 1 46 GLU HA 1 46 GLU QG 2.675 . 3.550 3.297 2.492 3.475 . 0 0 "[ . 1 . 2]" 1
665 1 46 GLU HA 1 49 GLY H 3.150 . 4.500 3.387 2.970 3.756 . 0 0 "[ . 1 . 2]" 1
666 1 46 GLU QB 1 47 LYS H 3.000 . 4.200 3.336 2.071 3.616 . 0 0 "[ . 1 . 2]" 1
667 1 46 GLU QG 1 47 LYS H 2.775 . 3.750 2.751 2.079 4.048 0.298 5 0 "[ . 1 . 2]" 1
668 1 47 LYS H 1 47 LYS HB2 2.990 . 4.180 2.713 2.355 3.630 . 0 0 "[ . 1 . 2]" 1
669 1 47 LYS H 1 47 LYS QB 2.705 . 3.610 2.476 2.325 2.698 . 0 0 "[ . 1 . 2]" 1
670 1 47 LYS H 1 47 LYS HB3 2.990 . 4.180 3.412 2.475 3.628 . 0 0 "[ . 1 . 2]" 1
671 1 47 LYS H 1 47 LYS HD2 3.650 . 5.500 4.669 4.064 4.920 . 0 0 "[ . 1 . 2]" 1
672 1 47 LYS H 1 47 LYS HD3 3.650 . 5.500 4.492 3.846 4.886 . 0 0 "[ . 1 . 2]" 1
673 1 47 LYS H 1 47 LYS HG2 2.770 . 3.740 3.094 1.898 3.748 0.008 2 0 "[ . 1 . 2]" 1
674 1 47 LYS H 1 47 LYS QG 2.500 . 3.200 2.229 1.877 2.499 . 0 0 "[ . 1 . 2]" 1
675 1 47 LYS H 1 47 LYS HG3 2.770 . 3.740 2.525 2.033 3.646 . 0 0 "[ . 1 . 2]" 1
676 1 47 LYS H 1 48 ALA H 2.580 . 3.360 2.574 2.426 2.742 . 0 0 "[ . 1 . 2]" 1
677 1 47 LYS HA 1 47 LYS HE2 3.650 . 5.500 4.783 3.268 5.422 . 0 0 "[ . 1 . 2]" 1
678 1 47 LYS HA 1 47 LYS HE3 3.650 . 5.500 4.726 4.197 5.399 . 0 0 "[ . 1 . 2]" 1
679 1 47 LYS HA 1 47 LYS HG2 2.870 . 3.940 2.798 2.439 3.895 . 0 0 "[ . 1 . 2]" 1
680 1 47 LYS HA 1 47 LYS QG 2.630 . 3.460 2.627 2.359 3.351 . 0 0 "[ . 1 . 2]" 1
681 1 47 LYS HA 1 47 LYS HG3 2.870 . 3.940 3.286 2.849 3.817 . 0 0 "[ . 1 . 2]" 1
682 1 47 LYS HA 1 48 ALA HA 3.370 . 4.940 4.750 4.648 4.795 . 0 0 "[ . 1 . 2]" 1
683 1 47 LYS QB 1 47 LYS QE 2.670 . 3.540 1.932 1.752 2.062 0.048 14 0 "[ . 1 . 2]" 1
684 1 47 LYS QB 1 48 ALA H 2.865 . 3.930 2.850 2.447 3.697 . 0 0 "[ . 1 . 2]" 1
685 1 47 LYS QB 1 49 GLY H 3.150 . 4.500 4.528 4.407 4.645 0.145 20 0 "[ . 1 . 2]" 1
686 1 47 LYS HB2 1 48 ALA H 3.235 . 4.670 2.980 2.495 4.147 . 0 0 "[ . 1 . 2]" 1
687 1 47 LYS HB2 1 48 ALA MB 3.650 . 5.500 4.173 3.735 5.251 . 0 0 "[ . 1 . 2]" 1
688 1 47 LYS HB3 1 48 ALA H 3.235 . 4.670 3.803 3.350 4.242 . 0 0 "[ . 1 . 2]" 1
689 1 47 LYS HB3 1 48 ALA MB 3.650 . 5.500 4.899 4.306 5.570 0.070 9 0 "[ . 1 . 2]" 1
690 1 47 LYS QE 1 47 LYS QG 2.400 . 3.000 2.381 2.256 2.810 . 0 0 "[ . 1 . 2]" 1
691 1 47 LYS QE 1 48 ALA H 3.415 . 5.030 4.615 4.093 5.097 0.067 1 0 "[ . 1 . 2]" 1
692 1 47 LYS QG 1 48 ALA H 3.265 . 4.730 3.761 2.306 4.237 . 0 0 "[ . 1 . 2]" 1
693 1 48 ALA H 1 48 ALA MB 2.375 . 2.950 2.244 2.212 2.293 . 0 0 "[ . 1 . 2]" 1
694 1 48 ALA H 1 49 GLY H 2.670 . 3.540 2.512 2.279 2.607 . 0 0 "[ . 1 . 2]" 1
695 1 48 ALA MB 1 49 GLY H 2.650 . 3.500 2.938 2.703 3.125 . 0 0 "[ . 1 . 2]" 1
696 1 48 ALA MB 1 49 GLY QA 3.420 . 5.040 3.905 3.826 3.993 . 0 0 "[ . 1 . 2]" 1
697 1 48 ALA MB 1 50 LEU H 2.575 . 3.350 2.768 2.546 3.027 . 0 0 "[ . 1 . 2]" 1
698 1 48 ALA MB 1 50 LEU MD1 2.890 . 3.980 4.129 4.005 4.476 0.496 9 0 "[ . 1 . 2]" 1
699 1 49 GLY H 1 50 LEU H 2.650 . 3.500 2.160 1.972 2.369 . 0 0 "[ . 1 . 2]" 1
700 1 49 GLY H 1 50 LEU HB3 3.175 . 4.550 4.326 4.087 4.476 . 0 0 "[ . 1 . 2]" 1
701 1 50 LEU H 1 50 LEU HB2 2.535 . 3.270 2.471 2.288 2.614 . 0 0 "[ . 1 . 2]" 1
702 1 50 LEU H 1 50 LEU HB3 2.690 . 3.580 2.522 2.421 2.650 . 0 0 "[ . 1 . 2]" 1
703 1 50 LEU H 1 50 LEU MD1 3.235 . 4.670 4.128 3.875 4.279 . 0 0 "[ . 1 . 2]" 1
704 1 50 LEU H 1 50 LEU QD 2.895 . 3.990 3.685 3.586 3.737 . 0 0 "[ . 1 . 2]" 1
705 1 50 LEU H 1 50 LEU MD2 3.235 . 4.670 4.159 4.059 4.266 . 0 0 "[ . 1 . 2]" 1
706 1 50 LEU H 1 50 LEU HG 3.250 . 4.700 4.464 4.403 4.510 . 0 0 "[ . 1 . 2]" 1
707 1 50 LEU H 1 51 LEU H 3.200 . 4.600 4.536 4.483 4.627 0.027 10 0 "[ . 1 . 2]" 1
708 1 50 LEU H 1 87 VAL MG2 3.165 . 4.530 4.581 4.225 4.648 0.118 14 0 "[ . 1 . 2]" 1
709 1 50 LEU HA 1 50 LEU MD1 2.780 . 3.760 3.041 2.049 3.563 . 0 0 "[ . 1 . 2]" 1
710 1 50 LEU HA 1 50 LEU MD2 2.780 . 3.760 3.562 3.234 3.885 0.125 9 0 "[ . 1 . 2]" 1
711 1 50 LEU HA 1 51 LEU H 2.575 . 3.350 2.176 2.073 2.295 . 0 0 "[ . 1 . 2]" 1
712 1 50 LEU HA 1 51 LEU HG 3.650 . 5.500 3.914 3.444 5.685 0.185 17 0 "[ . 1 . 2]" 1
713 1 50 LEU HA 1 87 VAL MG1 3.110 . 4.420 3.882 3.027 4.249 . 0 0 "[ . 1 . 2]" 1
714 1 50 LEU HA 1 87 VAL MG2 3.290 . 4.780 2.595 2.240 2.886 . 0 0 "[ . 1 . 2]" 1
715 1 50 LEU HB2 1 87 VAL MG2 2.860 . 3.920 3.591 3.274 3.960 0.040 14 0 "[ . 1 . 2]" 1
716 1 50 LEU HB3 1 50 LEU MD1 2.745 . 3.690 2.835 2.603 3.186 . 0 0 "[ . 1 . 2]" 1
717 1 50 LEU HB3 1 50 LEU MD2 2.745 . 3.690 2.189 2.141 2.266 . 0 0 "[ . 1 . 2]" 1
718 1 50 LEU HB3 1 51 LEU H 3.095 . 4.390 4.119 3.832 4.221 . 0 0 "[ . 1 . 2]" 1
719 1 50 LEU HB3 1 87 VAL MG1 3.650 . 5.500 5.016 4.530 5.514 0.014 11 0 "[ . 1 . 2]" 1
720 1 50 LEU QD 1 51 LEU HA 3.135 . 4.470 3.859 3.287 4.553 0.083 8 0 "[ . 1 . 2]" 1
721 1 50 LEU QD 1 53 GLY H 3.620 . 5.440 4.466 3.955 5.056 . 0 0 "[ . 1 . 2]" 1
722 1 50 LEU QD 1 54 ASP H 3.490 . 5.180 4.316 3.929 4.686 . 0 0 "[ . 1 . 2]" 1
723 1 50 LEU QD 1 87 VAL HB 2.965 . 4.130 3.822 2.949 4.185 0.055 5 0 "[ . 1 . 2]" 1
724 1 50 LEU QD 1 87 VAL MG1 2.490 . 3.180 2.110 1.834 2.372 . 0 0 "[ . 1 . 2]" 1
725 1 50 LEU QD 1 87 VAL MG2 2.750 . 3.700 2.726 1.842 3.452 . 0 0 "[ . 1 . 2]" 1
726 1 50 LEU MD1 1 51 LEU H 3.100 . 4.400 3.902 2.533 4.470 0.070 4 0 "[ . 1 . 2]" 1
727 1 50 LEU MD2 1 51 LEU H 3.100 . 4.400 3.534 2.797 4.461 0.061 8 0 "[ . 1 . 2]" 1
728 1 50 LEU HG 1 87 VAL HB 3.650 . 5.500 4.557 3.858 5.554 0.054 18 0 "[ . 1 . 2]" 1
729 1 50 LEU HG 1 87 VAL MG1 3.060 . 4.320 3.114 2.133 4.298 . 0 0 "[ . 1 . 2]" 1
730 1 51 LEU H 1 51 LEU QB 2.725 . 3.650 2.472 2.231 2.580 . 0 0 "[ . 1 . 2]" 1
731 1 51 LEU H 1 51 LEU MD1 3.350 . 4.900 3.973 3.862 4.396 . 0 0 "[ . 1 . 2]" 1
732 1 51 LEU H 1 51 LEU QD 3.000 . 4.200 3.414 3.345 3.591 . 0 0 "[ . 1 . 2]" 1
733 1 51 LEU H 1 51 LEU MD2 3.350 . 4.900 3.723 3.611 3.862 . 0 0 "[ . 1 . 2]" 1
734 1 51 LEU H 1 51 LEU HG 3.240 . 4.680 2.919 2.776 3.629 . 0 0 "[ . 1 . 2]" 1
735 1 51 LEU H 1 87 VAL MG2 3.050 . 4.300 3.588 3.125 3.988 . 0 0 "[ . 1 . 2]" 1
736 1 51 LEU HA 1 51 LEU MD1 2.925 . 4.050 3.803 2.842 3.867 . 0 0 "[ . 1 . 2]" 1
737 1 51 LEU HA 1 51 LEU QD 2.400 . 3.000 2.034 1.924 2.793 . 0 0 "[ . 1 . 2]" 1
738 1 51 LEU HA 1 51 LEU MD2 2.925 . 4.050 2.106 1.929 4.102 0.052 17 0 "[ . 1 . 2]" 1
739 1 51 LEU HA 1 51 LEU HG 2.910 . 4.020 3.110 3.038 3.464 . 0 0 "[ . 1 . 2]" 1
740 1 51 LEU HA 1 52 ALA H 2.375 . 2.950 2.347 2.230 2.448 . 0 0 "[ . 1 . 2]" 1
741 1 51 LEU QB 1 54 ASP H 3.050 . 4.300 3.708 3.274 4.300 . 18 0 "[ . 1 . 2]" 1
742 1 51 LEU QD 1 52 ALA H 2.510 . 3.220 3.178 1.933 3.277 0.057 8 0 "[ . 1 . 2]" 1
743 1 52 ALA H 1 52 ALA MB 2.425 . 3.050 2.261 2.241 2.295 . 0 0 "[ . 1 . 2]" 1
744 1 52 ALA H 1 53 GLY H 3.270 . 4.740 3.769 3.103 4.301 . 0 0 "[ . 1 . 2]" 1
745 1 52 ALA HA 1 53 GLY H 2.515 . 3.230 2.433 2.148 2.837 . 0 0 "[ . 1 . 2]" 1
746 1 52 ALA HA 1 54 ASP H 3.205 . 4.610 3.809 3.438 4.011 . 0 0 "[ . 1 . 2]" 1
747 1 52 ALA MB 1 53 GLY H 2.740 . 3.680 3.613 3.407 3.706 0.026 13 0 "[ . 1 . 2]" 1
748 1 53 GLY H 1 54 ASP H 2.670 . 3.540 1.811 1.713 1.996 0.087 17 0 "[ . 1 . 2]" 1
749 1 53 GLY H 1 54 ASP QB 3.360 . 4.920 3.646 3.402 3.921 . 0 0 "[ . 1 . 2]" 1
750 1 54 ASP H 1 54 ASP QB 2.915 . 3.280 2.310 2.097 2.468 . 0 0 "[ . 1 . 2]" 1
751 1 54 ASP H 1 55 ARG H 3.185 . 4.570 4.577 4.516 4.611 0.041 12 0 "[ . 1 . 2]" 1
752 1 54 ASP HA 1 55 ARG H 2.635 . 3.470 2.265 2.135 2.523 . 0 0 "[ . 1 . 2]" 1
753 1 54 ASP HA 1 87 VAL MG2 3.650 . 5.500 5.131 4.750 5.518 0.018 10 0 "[ . 1 . 2]" 1
754 1 54 ASP HA 1 88 VAL H 3.310 . 4.820 4.139 3.848 4.582 . 0 0 "[ . 1 . 2]" 1
755 1 54 ASP HA 1 89 ASP HA 3.275 . 4.750 2.771 2.276 3.332 . 0 0 "[ . 1 . 2]" 1
756 1 54 ASP QB 1 55 ARG H 2.990 . 4.180 2.692 2.370 3.063 . 0 0 "[ . 1 . 2]" 1
757 1 54 ASP QB 1 87 VAL HB 3.110 . 3.870 1.869 1.742 2.586 0.058 11 0 "[ . 1 . 2]" 1
758 1 54 ASP QB 1 87 VAL MG1 3.130 . 3.830 2.734 2.344 3.768 . 0 0 "[ . 1 . 2]" 1
759 1 54 ASP QB 1 87 VAL MG2 3.115 . 4.430 3.088 2.897 3.342 . 0 0 "[ . 1 . 2]" 1
760 1 54 ASP QB 1 88 VAL H 3.275 . 4.750 3.035 2.298 3.629 . 0 0 "[ . 1 . 2]" 1
761 1 55 ARG H 1 55 ARG HB2 2.915 . 4.030 3.121 2.315 3.783 . 0 0 "[ . 1 . 2]" 1
762 1 55 ARG H 1 55 ARG HB3 2.915 . 4.030 3.101 2.336 3.713 . 0 0 "[ . 1 . 2]" 1
763 1 55 ARG H 1 57 VAL QG 3.385 . 4.970 4.696 4.362 4.983 0.013 12 0 "[ . 1 . 2]" 1
764 1 55 ARG H 1 87 VAL HA 3.315 . 4.830 4.361 4.077 4.580 . 0 0 "[ . 1 . 2]" 1
765 1 55 ARG H 1 87 VAL MG1 3.215 . 4.630 4.400 4.043 4.643 0.013 6 0 "[ . 1 . 2]" 1
766 1 55 ARG H 1 88 VAL H 2.845 . 3.890 2.700 2.491 3.016 . 0 0 "[ . 1 . 2]" 1
767 1 55 ARG H 1 88 VAL HA 3.650 . 5.500 4.649 4.259 5.081 . 0 0 "[ . 1 . 2]" 1
768 1 55 ARG H 1 88 VAL QG 2.955 . 4.110 3.419 3.060 3.689 . 0 0 "[ . 1 . 2]" 1
769 1 55 ARG H 1 89 ASP HA 3.650 . 5.500 3.625 3.132 3.953 . 0 0 "[ . 1 . 2]" 1
770 1 55 ARG HA 1 56 LEU H 2.630 . 3.460 2.179 2.124 2.254 . 0 0 "[ . 1 . 2]" 1
771 1 55 ARG HA 1 57 VAL QG 3.540 . 5.280 4.996 4.496 5.332 0.052 18 0 "[ . 1 . 2]" 1
772 1 55 ARG HA 1 88 VAL QG 3.620 . 5.440 4.900 4.539 5.229 . 0 0 "[ . 1 . 2]" 1
773 1 55 ARG QB 1 88 VAL QG 2.825 . 3.850 3.090 2.201 3.903 0.053 12 0 "[ . 1 . 2]" 1
774 1 55 ARG QD 1 88 VAL QG 2.795 . 3.790 2.813 2.387 3.802 0.012 5 0 "[ . 1 . 2]" 1
775 1 55 ARG QD 1 90 PRO QB 2.655 . 3.510 3.277 2.632 3.598 0.088 18 0 "[ . 1 . 2]" 1
776 1 55 ARG QD 1 90 PRO QG 2.775 . 3.750 3.229 2.287 3.769 0.019 20 0 "[ . 1 . 2]" 1
777 1 56 LEU H 1 56 LEU HB2 2.790 . 3.780 2.609 2.091 2.720 . 0 0 "[ . 1 . 2]" 1
778 1 56 LEU H 1 56 LEU QB 2.515 . 3.230 2.271 2.071 2.342 . 0 0 "[ . 1 . 2]" 1
779 1 56 LEU H 1 56 LEU HB3 2.790 . 3.780 2.554 2.445 3.349 . 0 0 "[ . 1 . 2]" 1
780 1 56 LEU H 1 56 LEU MD1 3.170 . 4.540 4.162 4.088 4.285 . 0 0 "[ . 1 . 2]" 1
781 1 56 LEU H 1 56 LEU QD 2.885 . 3.970 3.703 2.799 3.794 . 0 0 "[ . 1 . 2]" 1
782 1 56 LEU H 1 56 LEU MD2 3.170 . 4.540 4.203 2.843 4.369 . 0 0 "[ . 1 . 2]" 1
783 1 56 LEU H 1 57 VAL QG 3.495 . 5.190 4.537 4.305 4.745 . 0 0 "[ . 1 . 2]" 1
784 1 56 LEU H 1 87 VAL MG1 3.375 . 4.950 4.022 3.456 4.562 . 0 0 "[ . 1 . 2]" 1
785 1 56 LEU HA 1 56 LEU MD1 3.390 . 4.980 2.055 1.951 2.631 . 0 0 "[ . 1 . 2]" 1
786 1 56 LEU HA 1 56 LEU QD 2.725 . 3.650 1.997 1.834 2.090 . 0 0 "[ . 1 . 2]" 1
787 1 56 LEU HA 1 56 LEU MD2 3.390 . 4.980 3.665 1.871 3.892 . 0 0 "[ . 1 . 2]" 1
788 1 56 LEU HA 1 58 GLU H 3.100 . 4.400 4.121 3.706 4.375 . 0 0 "[ . 1 . 2]" 1
789 1 56 LEU HA 1 86 LEU H 3.450 . 5.100 5.042 4.794 5.178 0.078 11 0 "[ . 1 . 2]" 1
790 1 56 LEU HA 1 87 VAL HA 3.165 . 4.530 2.837 2.580 3.305 . 0 0 "[ . 1 . 2]" 1
791 1 56 LEU HA 1 87 VAL MG1 2.730 . 3.660 2.278 1.874 2.603 . 0 0 "[ . 1 . 2]" 1
792 1 56 LEU QB 1 64 VAL MG2 2.940 . 4.080 3.440 2.420 3.693 . 0 0 "[ . 1 . 2]" 1
793 1 56 LEU QB 1 87 VAL MG1 3.290 . 4.780 3.178 2.795 4.073 . 0 0 "[ . 1 . 2]" 1
794 1 56 LEU HB2 1 56 LEU MD1 2.950 . 4.100 2.463 2.340 3.206 . 0 0 "[ . 1 . 2]" 1
795 1 56 LEU HB2 1 56 LEU MD2 2.950 . 4.100 2.370 2.306 2.428 . 0 0 "[ . 1 . 2]" 1
796 1 56 LEU HB2 1 64 VAL MG2 3.270 . 4.740 4.618 3.817 4.819 0.079 19 0 "[ . 1 . 2]" 1
797 1 56 LEU HB3 1 56 LEU MD1 2.950 . 4.100 3.112 2.319 3.204 . 0 0 "[ . 1 . 2]" 1
798 1 56 LEU HB3 1 56 LEU MD2 2.950 . 4.100 2.416 2.280 3.201 . 0 0 "[ . 1 . 2]" 1
799 1 56 LEU HB3 1 64 VAL MG2 3.270 . 4.740 3.553 2.447 3.850 . 0 0 "[ . 1 . 2]" 1
800 1 56 LEU QD 1 57 VAL H 2.850 . 3.900 2.536 2.187 2.931 . 0 0 "[ . 1 . 2]" 1
801 1 56 LEU QD 1 58 GLU H 3.050 . 4.300 3.039 2.746 3.380 . 0 0 "[ . 1 . 2]" 1
802 1 56 LEU QD 1 58 GLU HA 3.530 . 5.260 4.240 3.772 4.512 . 0 0 "[ . 1 . 2]" 1
803 1 56 LEU QD 1 59 VAL HB 3.155 . 4.510 4.003 2.373 4.541 0.031 11 0 "[ . 1 . 2]" 1
804 1 56 LEU QD 1 64 VAL MG2 2.575 . 3.350 2.462 1.783 2.745 0.017 10 0 "[ . 1 . 2]" 1
805 1 56 LEU QD 1 72 VAL HA 3.360 . 4.920 4.403 3.969 4.898 . 0 0 "[ . 1 . 2]" 1
806 1 56 LEU QD 1 72 VAL HB 3.240 . 4.680 4.236 3.993 4.743 0.063 11 0 "[ . 1 . 2]" 1
807 1 56 LEU QD 1 72 VAL QG 2.405 . 3.010 1.977 1.824 2.570 . 0 0 "[ . 1 . 2]" 1
808 1 56 LEU QD 1 85 LEU HA 2.980 . 4.160 2.763 2.300 3.448 . 0 0 "[ . 1 . 2]" 1
809 1 56 LEU QD 1 86 LEU H 2.735 . 3.670 2.837 2.499 3.605 . 0 0 "[ . 1 . 2]" 1
810 1 56 LEU QD 1 87 VAL HA 3.095 . 4.390 3.486 3.144 3.775 . 0 0 "[ . 1 . 2]" 1
811 1 56 LEU MD1 1 59 VAL HA 3.260 . 4.720 3.700 3.411 4.330 . 0 0 "[ . 1 . 2]" 1
812 1 56 LEU MD1 1 86 LEU H 3.025 . 4.250 2.864 2.510 3.656 . 0 0 "[ . 1 . 2]" 1
813 1 56 LEU HG 1 64 VAL MG2 2.785 . 3.770 2.590 2.210 3.803 0.033 10 0 "[ . 1 . 2]" 1
814 1 56 LEU HG 1 87 VAL MG1 3.650 . 5.500 4.431 4.213 4.643 . 0 0 "[ . 1 . 2]" 1
815 1 57 VAL H 1 57 VAL HB 2.885 . 3.970 2.926 2.499 3.709 . 0 0 "[ . 1 . 2]" 1
816 1 57 VAL H 1 57 VAL MG1 2.990 . 4.180 3.436 2.598 3.827 . 0 0 "[ . 1 . 2]" 1
817 1 57 VAL H 1 57 VAL QG 2.680 . 3.560 2.161 1.791 2.499 0.009 8 0 "[ . 1 . 2]" 1
818 1 57 VAL H 1 57 VAL MG2 2.990 . 4.180 2.186 1.818 2.533 . 0 0 "[ . 1 . 2]" 1
819 1 57 VAL H 1 58 GLU H 2.695 . 3.590 2.383 2.193 2.521 . 0 0 "[ . 1 . 2]" 1
820 1 57 VAL H 1 58 GLU QB 3.570 . 5.340 5.032 4.657 5.364 0.024 17 0 "[ . 1 . 2]" 1
821 1 57 VAL H 1 86 LEU HG 3.650 . 5.500 4.589 3.967 5.585 0.085 13 0 "[ . 1 . 2]" 1
822 1 57 VAL H 1 87 VAL HA 3.135 . 4.470 3.016 2.762 3.308 . 0 0 "[ . 1 . 2]" 1
823 1 57 VAL H 1 87 VAL HB 3.650 . 5.500 5.298 4.943 5.520 0.020 5 0 "[ . 1 . 2]" 1
824 1 57 VAL H 1 87 VAL MG1 3.335 . 4.870 3.591 3.258 3.920 . 0 0 "[ . 1 . 2]" 1
825 1 57 VAL HA 1 57 VAL MG1 2.750 . 3.700 2.344 2.225 2.410 . 0 0 "[ . 1 . 2]" 1
826 1 57 VAL HA 1 57 VAL QG 2.455 . 3.110 2.164 2.127 2.249 . 0 0 "[ . 1 . 2]" 1
827 1 57 VAL HA 1 57 VAL MG2 2.750 . 3.700 2.683 2.379 3.213 . 0 0 "[ . 1 . 2]" 1
828 1 57 VAL HA 1 64 VAL MG2 3.265 . 4.730 3.850 3.261 4.491 . 0 0 "[ . 1 . 2]" 1
829 1 57 VAL HA 1 65 GLU H 3.545 . 5.290 4.166 3.514 5.134 . 0 0 "[ . 1 . 2]" 1
830 1 57 VAL HA 1 65 GLU QB 3.425 . 5.050 3.632 2.114 4.569 . 0 0 "[ . 1 . 2]" 1
831 1 57 VAL HA 1 65 GLU QG 2.955 . 4.110 2.499 1.897 4.208 0.098 9 0 "[ . 1 . 2]" 1
832 1 57 VAL HA 1 86 LEU QB 3.650 . 5.500 5.172 4.730 5.548 0.048 19 0 "[ . 1 . 2]" 1
833 1 57 VAL HB 1 58 GLU H 2.960 . 4.120 2.784 2.262 3.759 . 0 0 "[ . 1 . 2]" 1
834 1 57 VAL HB 1 58 GLU QB 3.180 . 4.560 4.101 3.737 4.640 0.080 8 0 "[ . 1 . 2]" 1
835 1 57 VAL HB 1 86 LEU QD 3.035 . 4.270 2.780 1.797 4.207 0.003 3 0 "[ . 1 . 2]" 1
836 1 57 VAL QG 1 58 GLU H 2.400 . 3.000 2.708 1.985 3.114 0.114 18 0 "[ . 1 . 2]" 1
837 1 57 VAL QG 1 58 GLU HA 2.915 . 4.030 3.861 3.647 4.039 0.009 17 0 "[ . 1 . 2]" 1
838 1 57 VAL QG 1 58 GLU QG 2.935 . 4.070 2.364 1.755 3.567 0.045 13 0 "[ . 1 . 2]" 1
839 1 57 VAL QG 1 63 ASN QD 3.295 . 4.790 3.286 2.078 4.851 0.061 13 0 "[ . 1 . 2]" 1
840 1 57 VAL QG 1 65 GLU QG 2.905 . 4.010 2.803 2.205 3.852 . 0 0 "[ . 1 . 2]" 1
841 1 57 VAL QG 1 86 LEU QD 2.570 . 3.340 2.160 1.838 2.654 . 0 0 "[ . 1 . 2]" 1
842 1 57 VAL QG 1 87 VAL HA 2.995 . 4.190 2.850 2.381 3.209 . 0 0 "[ . 1 . 2]" 1
843 1 57 VAL QG 1 88 VAL H 3.585 . 5.370 3.368 2.804 3.655 . 0 0 "[ . 1 . 2]" 1
844 1 57 VAL QG 1 88 VAL HB 3.040 . 4.280 3.502 3.037 4.420 0.140 15 0 "[ . 1 . 2]" 1
845 1 57 VAL QG 1 88 VAL QG 3.195 . 4.590 2.183 2.038 2.600 . 0 0 "[ . 1 . 2]" 1
846 1 57 VAL MG1 1 58 GLU H 2.990 . 4.180 3.527 3.189 4.107 . 0 0 "[ . 1 . 2]" 1
847 1 57 VAL MG2 1 58 GLU H 3.150 . 4.500 3.139 1.990 3.768 . 0 0 "[ . 1 . 2]" 1
848 1 58 GLU H 1 58 GLU QB 2.705 . 3.610 3.016 2.710 3.360 . 0 0 "[ . 1 . 2]" 1
849 1 58 GLU H 1 58 GLU QG 3.040 . 4.280 2.583 2.312 3.032 . 0 0 "[ . 1 . 2]" 1
850 1 58 GLU H 1 64 VAL H 3.580 . 5.360 4.457 4.155 4.617 . 0 0 "[ . 1 . 2]" 1
851 1 58 GLU H 1 64 VAL MG2 3.130 . 4.460 3.560 3.267 3.831 . 0 0 "[ . 1 . 2]" 1
852 1 58 GLU H 1 86 LEU H 2.905 . 4.010 3.189 2.621 3.541 . 0 0 "[ . 1 . 2]" 1
853 1 58 GLU H 1 86 LEU QB 2.680 . 3.560 2.330 1.915 2.664 . 0 0 "[ . 1 . 2]" 1
854 1 58 GLU H 1 86 LEU QD 2.820 . 3.840 3.503 3.026 3.858 0.018 5 0 "[ . 1 . 2]" 1
855 1 58 GLU H 1 86 LEU HG 3.290 . 4.780 4.329 3.816 4.790 0.010 1 0 "[ . 1 . 2]" 1
856 1 58 GLU HA 1 59 VAL H 2.585 . 3.370 2.298 2.235 2.403 . 0 0 "[ . 1 . 2]" 1
857 1 58 GLU HA 1 62 GLU H 3.505 . 5.210 4.879 4.403 5.272 0.062 17 0 "[ . 1 . 2]" 1
858 1 58 GLU HA 1 63 ASN HA 2.910 . 4.020 2.434 1.955 2.843 . 0 0 "[ . 1 . 2]" 1
859 1 58 GLU HA 1 64 VAL H 2.760 . 3.720 2.258 1.955 2.568 . 0 0 "[ . 1 . 2]" 1
860 1 58 GLU HA 1 64 VAL MG1 3.150 . 4.500 2.915 2.417 3.354 . 0 0 "[ . 1 . 2]" 1
861 1 58 GLU HA 1 64 VAL MG2 2.945 . 4.090 2.133 1.764 2.599 0.036 20 0 "[ . 1 . 2]" 1
862 1 58 GLU HA 1 86 LEU QB 3.395 . 4.990 4.444 4.084 4.719 . 0 0 "[ . 1 . 2]" 1
863 1 58 GLU QB 1 59 VAL H 2.810 . 3.820 2.565 2.345 2.753 . 0 0 "[ . 1 . 2]" 1
864 1 58 GLU QB 1 61 GLY H 3.180 . 4.560 3.499 2.752 4.605 0.045 17 0 "[ . 1 . 2]" 1
865 1 58 GLU QB 1 61 GLY QA 3.455 . 5.110 3.817 3.174 4.471 . 0 0 "[ . 1 . 2]" 1
866 1 58 GLU QB 1 63 ASN QB 3.490 . 5.180 3.804 2.932 5.198 0.018 8 0 "[ . 1 . 2]" 1
867 1 58 GLU QB 1 64 VAL H 3.025 . 4.250 3.669 2.539 4.360 0.110 1 0 "[ . 1 . 2]" 1
868 1 58 GLU QB 1 64 VAL MG1 3.005 . 4.210 3.950 3.273 4.367 0.157 16 0 "[ . 1 . 2]" 1
869 1 58 GLU QB 1 64 VAL MG2 3.305 . 4.810 3.853 3.440 4.272 . 0 0 "[ . 1 . 2]" 1
870 1 58 GLU QG 1 86 LEU QD 3.145 . 4.490 2.396 1.835 3.383 . 0 0 "[ . 1 . 2]" 1
871 1 58 GLU QG 1 86 LEU HG 3.205 . 4.610 3.821 2.750 4.635 0.025 7 0 "[ . 1 . 2]" 1
872 1 59 VAL H 1 59 VAL HB 2.740 . 3.680 2.797 2.550 3.391 . 0 0 "[ . 1 . 2]" 1
873 1 59 VAL H 1 59 VAL MG1 2.985 . 4.170 3.507 2.002 3.887 . 0 0 "[ . 1 . 2]" 1
874 1 59 VAL H 1 59 VAL QG 2.660 . 3.520 2.677 1.995 2.943 . 0 0 "[ . 1 . 2]" 1
875 1 59 VAL H 1 59 VAL MG2 2.985 . 4.170 3.090 2.710 3.916 . 0 0 "[ . 1 . 2]" 1
876 1 59 VAL H 1 60 ASN H 3.180 . 4.560 4.137 3.976 4.317 . 0 0 "[ . 1 . 2]" 1
877 1 59 VAL H 1 62 GLU H 2.835 . 3.870 3.227 2.891 3.497 . 0 0 "[ . 1 . 2]" 1
878 1 59 VAL H 1 62 GLU QG 3.220 . 4.640 3.255 2.850 3.742 . 0 0 "[ . 1 . 2]" 1
879 1 59 VAL H 1 63 ASN HA 3.095 . 4.390 3.848 3.361 4.230 . 0 0 "[ . 1 . 2]" 1
880 1 59 VAL H 1 64 VAL HB 3.520 . 5.240 5.137 4.891 5.297 0.057 20 0 "[ . 1 . 2]" 1
881 1 59 VAL H 1 64 VAL MG1 2.875 . 3.950 2.433 2.129 2.967 . 0 0 "[ . 1 . 2]" 1
882 1 59 VAL H 1 64 VAL MG2 3.010 . 4.220 3.070 2.640 3.281 . 0 0 "[ . 1 . 2]" 1
883 1 59 VAL HA 1 59 VAL MG1 2.765 . 3.730 2.597 2.386 3.217 . 0 0 "[ . 1 . 2]" 1
884 1 59 VAL HA 1 59 VAL MG2 2.765 . 3.730 2.389 2.319 2.519 . 0 0 "[ . 1 . 2]" 1
885 1 59 VAL HA 1 60 ASN H 2.585 . 3.370 2.123 2.091 2.155 . 0 0 "[ . 1 . 2]" 1
886 1 59 VAL HA 1 83 VAL QG 3.205 . 4.610 3.826 3.181 4.417 . 0 0 "[ . 1 . 2]" 1
887 1 59 VAL HA 1 85 LEU HA 2.845 . 3.890 2.934 2.465 3.521 . 0 0 "[ . 1 . 2]" 1
888 1 59 VAL HA 1 86 LEU H 3.250 . 4.700 3.571 2.920 4.221 . 0 0 "[ . 1 . 2]" 1
889 1 59 VAL HB 1 60 ASN H 3.185 . 4.570 4.317 4.097 4.406 . 0 0 "[ . 1 . 2]" 1
890 1 59 VAL HB 1 64 VAL HB 3.635 . 5.470 4.870 4.250 5.570 0.100 20 0 "[ . 1 . 2]" 1
891 1 59 VAL HB 1 64 VAL MG1 2.985 . 4.170 2.508 1.885 3.930 . 0 0 "[ . 1 . 2]" 1
892 1 59 VAL HB 1 64 VAL MG2 2.900 . 4.000 3.456 2.891 4.010 0.010 17 0 "[ . 1 . 2]" 1
893 1 59 VAL QG 1 60 ASN H 2.695 . 3.590 2.893 2.522 3.019 . 0 0 "[ . 1 . 2]" 1
894 1 59 VAL QG 1 60 ASN QB 3.085 . 4.370 2.615 2.172 2.813 . 0 0 "[ . 1 . 2]" 1
895 1 59 VAL QG 1 60 ASN QD 2.970 . 4.140 3.267 1.777 4.163 0.023 11 0 "[ . 1 . 2]" 1
896 1 59 VAL QG 1 64 VAL MG2 2.500 . 3.200 1.936 1.748 2.633 0.052 18 0 "[ . 1 . 2]" 1
897 1 59 VAL QG 1 75 ARG QB 2.935 . 4.070 2.114 1.742 2.527 0.058 9 0 "[ . 1 . 2]" 1
898 1 59 VAL QG 1 75 ARG QD 2.690 . 3.580 2.950 2.077 3.482 . 0 0 "[ . 1 . 2]" 1
899 1 59 VAL QG 1 76 ILE H 3.175 . 4.550 3.354 2.845 4.074 . 0 0 "[ . 1 . 2]" 1
900 1 59 VAL QG 1 76 ILE HA 2.890 . 3.980 2.758 2.279 3.308 . 0 0 "[ . 1 . 2]" 1
901 1 59 VAL QG 1 79 ALA MB 3.335 . 4.870 4.123 3.750 4.507 . 0 0 "[ . 1 . 2]" 1
902 1 59 VAL QG 1 83 VAL QG 2.560 . 3.320 2.202 1.985 2.484 . 0 0 "[ . 1 . 2]" 1
903 1 59 VAL QG 1 84 ARG H 3.360 . 4.920 3.943 3.539 4.375 . 0 0 "[ . 1 . 2]" 1
904 1 59 VAL QG 1 85 LEU HA 3.110 . 4.420 3.320 3.035 3.612 . 0 0 "[ . 1 . 2]" 1
905 1 59 VAL QG 1 86 LEU H 3.175 . 4.550 4.192 3.893 4.587 0.037 20 0 "[ . 1 . 2]" 1
906 1 59 VAL MG1 1 60 ASN H 3.005 . 4.210 3.227 2.891 4.200 . 0 0 "[ . 1 . 2]" 1
907 1 59 VAL MG1 1 75 ARG HD2 3.235 . 4.670 3.807 2.556 4.607 . 0 0 "[ . 1 . 2]" 1
908 1 59 VAL MG1 1 75 ARG HD3 3.235 . 4.670 3.732 2.148 4.605 . 0 0 "[ . 1 . 2]" 1
909 1 59 VAL MG1 1 76 ILE HA 3.165 . 4.530 3.172 2.360 5.056 0.526 19 1 "[ . 1 . +2]" 1
910 1 59 VAL MG1 1 78 ALA MB 3.165 . 4.530 4.660 3.847 5.291 0.761 20 4 "[ . *1 * . -+]" 1
911 1 59 VAL MG1 1 85 LEU HA 3.410 . 5.020 4.272 3.669 5.103 0.083 20 0 "[ . 1 . 2]" 1
912 1 59 VAL MG2 1 60 ASN H 3.005 . 4.210 3.814 2.551 4.152 . 0 0 "[ . 1 . 2]" 1
913 1 59 VAL MG2 1 75 ARG HD2 3.235 . 4.670 3.835 3.150 4.696 0.026 13 0 "[ . 1 . 2]" 1
914 1 59 VAL MG2 1 75 ARG HD3 3.235 . 4.670 4.300 3.608 4.800 0.130 20 0 "[ . 1 . 2]" 1
915 1 59 VAL MG2 1 85 LEU HA 3.410 . 5.020 3.495 3.176 3.873 . 0 0 "[ . 1 . 2]" 1
916 1 60 ASN H 1 61 GLY H 3.045 . 4.290 3.025 2.598 3.915 . 0 0 "[ . 1 . 2]" 1
917 1 60 ASN H 1 83 VAL QG 3.240 . 4.680 3.601 2.632 4.201 . 0 0 "[ . 1 . 2]" 1
918 1 60 ASN H 1 84 ARG H 3.115 . 4.430 3.555 2.733 4.034 . 0 0 "[ . 1 . 2]" 1
919 1 60 ASN H 1 84 ARG HB2 3.285 . 4.770 2.993 2.084 4.692 . 0 0 "[ . 1 . 2]" 1
920 1 60 ASN H 1 84 ARG QB 2.890 . 3.980 2.793 2.068 3.891 . 0 0 "[ . 1 . 2]" 1
921 1 60 ASN H 1 84 ARG HB3 3.285 . 4.770 3.862 3.171 4.852 0.082 15 0 "[ . 1 . 2]" 1
922 1 60 ASN H 1 85 LEU HA 3.250 . 4.700 3.713 2.951 4.711 0.011 6 0 "[ . 1 . 2]" 1
923 1 60 ASN HA 1 84 ARG H 3.110 . 4.420 3.324 2.093 4.042 . 0 0 "[ . 1 . 2]" 1
924 1 60 ASN HA 1 84 ARG HB2 3.110 . 4.420 2.441 1.732 4.257 0.068 12 0 "[ . 1 . 2]" 1
925 1 60 ASN HA 1 84 ARG HB3 3.110 . 4.420 3.600 2.346 4.473 0.053 15 0 "[ . 1 . 2]" 1
926 1 60 ASN QB 1 60 ASN QD 2.495 . 3.190 2.201 2.108 2.654 . 0 0 "[ . 1 . 2]" 1
927 1 60 ASN QB 1 62 GLU H 3.150 . 4.500 3.758 3.403 4.193 . 0 0 "[ . 1 . 2]" 1
928 1 60 ASN QD 1 79 ALA MB 2.735 . 3.670 3.293 1.724 3.731 0.076 20 0 "[ . 1 . 2]" 1
929 1 60 ASN QD 1 83 VAL QG 2.710 . 3.620 2.580 1.725 3.599 0.075 11 0 "[ . 1 . 2]" 1
930 1 60 ASN QD 1 84 ARG QB 3.290 . 4.780 4.230 2.689 4.840 0.060 3 0 "[ . 1 . 2]" 1
931 1 60 ASN HD21 1 83 VAL HA 3.195 . 4.590 4.365 1.787 4.718 0.128 7 0 "[ . 1 . 2]" 1
932 1 60 ASN HD22 1 83 VAL HA 3.195 . 4.590 3.028 2.595 3.512 . 0 0 "[ . 1 . 2]" 1
933 1 61 GLY H 1 62 GLU H 2.745 . 3.690 2.302 1.739 2.780 0.061 13 0 "[ . 1 . 2]" 1
934 1 61 GLY H 1 84 ARG QB 3.570 . 5.340 4.345 2.523 5.386 0.046 17 0 "[ . 1 . 2]" 1
935 1 61 GLY QA 1 62 GLU HB3 3.275 . 4.750 4.413 4.257 4.601 . 0 0 "[ . 1 . 2]" 1
936 1 62 GLU H 1 62 GLU HB3 2.445 . 3.090 3.054 2.867 3.144 0.054 19 0 "[ . 1 . 2]" 1
937 1 62 GLU H 1 62 GLU HG2 2.905 . 4.010 2.087 1.874 2.338 . 0 0 "[ . 1 . 2]" 1
938 1 62 GLU H 1 62 GLU QG 2.615 . 3.430 2.058 1.860 2.289 . 0 0 "[ . 1 . 2]" 1
939 1 62 GLU H 1 62 GLU HG3 2.905 . 4.010 3.185 3.007 3.422 . 0 0 "[ . 1 . 2]" 1
940 1 62 GLU H 1 63 ASN H 3.155 . 4.510 4.459 4.385 4.534 0.024 16 0 "[ . 1 . 2]" 1
941 1 62 GLU H 1 64 VAL MG1 3.135 . 4.470 4.333 4.020 4.508 0.038 10 0 "[ . 1 . 2]" 1
942 1 62 GLU HA 1 62 GLU HG2 2.890 . 3.980 3.708 3.617 3.781 . 0 0 "[ . 1 . 2]" 1
943 1 62 GLU HA 1 62 GLU QG 2.640 . 3.480 3.348 3.329 3.364 . 0 0 "[ . 1 . 2]" 1
944 1 62 GLU HA 1 62 GLU HG3 2.890 . 3.980 3.816 3.767 3.906 . 0 0 "[ . 1 . 2]" 1
945 1 62 GLU HA 1 63 ASN H 2.410 . 3.020 2.187 2.124 2.279 . 0 0 "[ . 1 . 2]" 1
946 1 62 GLU HA 1 63 ASN QB 3.410 . 5.020 4.033 3.942 4.080 . 0 0 "[ . 1 . 2]" 1
947 1 62 GLU HB2 1 63 ASN H 2.645 . 3.490 2.943 2.752 3.080 . 0 0 "[ . 1 . 2]" 1
948 1 62 GLU HB2 1 63 ASN QB 3.570 . 5.340 4.581 4.425 4.833 . 0 0 "[ . 1 . 2]" 1
949 1 62 GLU QG 1 63 ASN H 2.985 . 4.170 3.983 3.780 4.067 . 0 0 "[ . 1 . 2]" 1
950 1 62 GLU QG 1 63 ASN QB 3.490 . 5.180 5.161 5.057 5.242 0.062 5 0 "[ . 1 . 2]" 1
951 1 62 GLU QG 1 64 VAL H 3.475 . 5.150 5.017 4.706 5.235 0.085 13 0 "[ . 1 . 2]" 1
952 1 62 GLU QG 1 64 VAL MG1 2.630 . 3.460 2.617 2.233 2.978 . 0 0 "[ . 1 . 2]" 1
953 1 62 GLU QG 1 64 VAL MG2 3.535 . 5.270 4.602 3.956 4.973 . 0 0 "[ . 1 . 2]" 1
954 1 63 ASN H 1 63 ASN QB 2.425 . 3.050 2.248 2.199 2.293 . 0 0 "[ . 1 . 2]" 1
955 1 63 ASN H 1 63 ASN QD 3.215 . 4.630 4.347 4.102 4.519 . 0 0 "[ . 1 . 2]" 1
956 1 63 ASN H 1 64 VAL H 3.250 . 4.700 4.543 4.473 4.616 . 0 0 "[ . 1 . 2]" 1
957 1 63 ASN H 1 64 VAL MG1 3.190 . 4.580 4.482 4.229 4.620 0.040 10 0 "[ . 1 . 2]" 1
958 1 63 ASN HA 1 64 VAL H 2.595 . 3.390 2.169 2.120 2.231 . 0 0 "[ . 1 . 2]" 1
959 1 63 ASN HA 1 64 VAL MG2 2.945 . 4.090 3.647 3.527 3.855 . 0 0 "[ . 1 . 2]" 1
960 1 63 ASN QB 1 64 VAL HA 3.570 . 5.340 4.596 4.461 4.771 . 0 0 "[ . 1 . 2]" 1
961 1 63 ASN QB 1 65 GLU QG 3.490 . 5.180 4.310 2.934 4.876 . 0 0 "[ . 1 . 2]" 1
962 1 63 ASN QD 1 65 GLU QG 2.780 . 3.760 2.141 1.755 3.089 0.045 17 0 "[ . 1 . 2]" 1
963 1 63 ASN HD22 1 65 GLU HA 3.310 . 4.820 4.775 4.200 5.263 0.443 7 0 "[ . 1 . 2]" 1
964 1 64 VAL H 1 64 VAL HB 2.830 . 3.860 3.782 3.725 3.873 0.013 18 0 "[ . 1 . 2]" 1
965 1 64 VAL H 1 64 VAL MG1 2.720 . 3.640 2.813 2.684 2.968 . 0 0 "[ . 1 . 2]" 1
966 1 64 VAL H 1 64 VAL MG2 2.585 . 3.370 2.094 1.956 2.299 . 0 0 "[ . 1 . 2]" 1
967 1 64 VAL H 1 65 GLU H 2.700 . 3.600 2.269 1.954 2.774 . 0 0 "[ . 1 . 2]" 1
968 1 64 VAL HA 1 64 VAL MG1 2.550 . 3.300 2.334 2.286 2.416 . 0 0 "[ . 1 . 2]" 1
969 1 64 VAL HA 1 64 VAL MG2 2.845 . 3.890 3.207 3.199 3.215 . 0 0 "[ . 1 . 2]" 1
970 1 64 VAL HA 1 65 GLU H 2.525 . 3.250 3.139 2.797 3.333 0.083 14 0 "[ . 1 . 2]" 1
971 1 64 VAL HA 1 67 GLU H 2.840 . 3.880 3.446 3.279 3.859 . 0 0 "[ . 1 . 2]" 1
972 1 64 VAL HA 1 67 GLU HG2 3.235 . 4.670 2.143 1.812 2.731 . 0 0 "[ . 1 . 2]" 1
973 1 64 VAL HA 1 67 GLU QG 2.930 . 4.060 2.052 1.744 2.683 0.056 3 0 "[ . 1 . 2]" 1
974 1 64 VAL HA 1 67 GLU HG3 3.235 . 4.670 2.697 2.144 3.939 . 0 0 "[ . 1 . 2]" 1
975 1 64 VAL HA 1 72 VAL QG 2.965 . 4.130 3.724 3.340 4.141 0.011 9 0 "[ . 1 . 2]" 1
976 1 64 VAL HB 1 67 GLU H 3.350 . 4.900 4.202 3.782 4.619 . 0 0 "[ . 1 . 2]" 1
977 1 64 VAL HB 1 67 GLU QB 3.570 . 5.340 3.137 2.561 5.106 . 0 0 "[ . 1 . 2]" 1
978 1 64 VAL HB 1 67 GLU QG 3.180 . 4.560 2.749 2.062 3.259 . 0 0 "[ . 1 . 2]" 1
979 1 64 VAL HB 1 72 VAL HA 3.380 . 4.960 3.181 2.695 3.509 . 0 0 "[ . 1 . 2]" 1
980 1 64 VAL HB 1 72 VAL QG 2.575 . 3.350 2.076 1.764 2.574 0.036 3 0 "[ . 1 . 2]" 1
981 1 64 VAL MG1 1 65 GLU H 3.155 . 4.510 4.280 4.157 4.388 . 0 0 "[ . 1 . 2]" 1
982 1 64 VAL MG1 1 66 LYS H 3.555 . 5.310 5.176 4.918 5.387 0.077 16 0 "[ . 1 . 2]" 1
983 1 64 VAL MG1 1 67 GLU H 3.650 . 5.500 4.950 4.692 5.446 . 0 0 "[ . 1 . 2]" 1
984 1 64 VAL MG1 1 75 ARG QB 3.535 . 5.270 3.180 2.413 3.670 . 0 0 "[ . 1 . 2]" 1
985 1 64 VAL MG1 1 75 ARG HD2 2.935 . 4.070 2.295 1.859 2.913 . 0 0 "[ . 1 . 2]" 1
986 1 64 VAL MG1 1 75 ARG QD 2.635 . 3.470 2.205 1.814 2.857 . 0 0 "[ . 1 . 2]" 1
987 1 64 VAL MG1 1 75 ARG HD3 2.935 . 4.070 2.994 2.384 4.120 0.050 20 0 "[ . 1 . 2]" 1
988 1 64 VAL MG1 1 75 ARG HE 2.990 . 4.180 3.452 2.712 4.321 0.141 16 0 "[ . 1 . 2]" 1
989 1 64 VAL MG1 1 75 ARG QH2 3.305 . 4.810 3.960 3.295 4.577 . 0 0 "[ . 1 . 2]" 1
990 1 64 VAL MG2 1 65 GLU H 2.965 . 4.130 3.273 2.899 3.778 . 0 0 "[ . 1 . 2]" 1
991 1 64 VAL MG2 1 65 GLU HA 3.360 . 4.920 3.493 3.121 3.807 . 0 0 "[ . 1 . 2]" 1
992 1 64 VAL MG2 1 67 GLU H 3.550 . 5.300 4.700 4.323 5.040 . 0 0 "[ . 1 . 2]" 1
993 1 64 VAL MG2 1 67 GLU QG 3.470 . 5.140 3.968 3.550 4.337 . 0 0 "[ . 1 . 2]" 1
994 1 64 VAL MG2 1 72 VAL MG1 3.070 . 4.340 2.250 1.804 2.850 . 0 0 "[ . 1 . 2]" 1
995 1 64 VAL MG2 1 72 VAL QG 2.605 . 3.410 2.174 1.785 2.671 0.015 10 0 "[ . 1 . 2]" 1
996 1 64 VAL MG2 1 72 VAL MG2 3.070 . 4.340 2.926 2.612 3.226 . 0 0 "[ . 1 . 2]" 1
997 1 65 GLU H 1 65 GLU QB 2.605 . 3.410 2.512 2.334 2.889 . 0 0 "[ . 1 . 2]" 1
998 1 65 GLU H 1 65 GLU HG2 2.810 . 3.820 3.161 1.992 3.799 . 0 0 "[ . 1 . 2]" 1
999 1 65 GLU H 1 65 GLU QG 2.460 . 3.120 2.194 1.777 2.597 0.023 18 0 "[ . 1 . 2]" 1
1000 1 65 GLU H 1 65 GLU HG3 2.810 . 3.820 2.457 1.783 3.330 0.017 18 0 "[ . 1 . 2]" 1
1001 1 65 GLU H 1 66 LYS H 2.725 . 3.650 2.611 2.284 2.772 . 0 0 "[ . 1 . 2]" 1
1002 1 65 GLU HA 1 65 GLU HG2 2.965 . 4.130 2.957 2.399 4.196 0.066 14 0 "[ . 1 . 2]" 1
1003 1 65 GLU HA 1 65 GLU HG3 2.965 . 4.130 3.282 2.978 3.768 . 0 0 "[ . 1 . 2]" 1
1004 1 65 GLU HA 1 67 GLU H 3.095 . 4.390 3.833 3.417 4.408 0.018 20 0 "[ . 1 . 2]" 1
1005 1 65 GLU QB 1 66 LYS H 2.905 . 4.010 3.151 2.623 3.945 . 0 0 "[ . 1 . 2]" 1
1006 1 65 GLU QB 1 66 LYS QG 3.230 . 4.660 3.321 2.551 4.322 . 0 0 "[ . 1 . 2]" 1
1007 1 65 GLU HB2 1 66 LYS H 3.190 . 4.580 3.333 2.682 4.423 . 0 0 "[ . 1 . 2]" 1
1008 1 65 GLU HB3 1 66 LYS H 3.190 . 4.580 4.024 3.640 4.621 0.041 18 0 "[ . 1 . 2]" 1
1009 1 66 LYS H 1 66 LYS QB 2.515 . 3.230 2.580 2.338 2.777 . 0 0 "[ . 1 . 2]" 1
1010 1 66 LYS H 1 66 LYS QD 3.160 . 4.520 3.288 1.906 4.516 . 0 0 "[ . 1 . 2]" 1
1011 1 66 LYS H 1 66 LYS HG2 3.010 . 4.220 2.937 1.995 4.275 0.055 9 0 "[ . 1 . 2]" 1
1012 1 66 LYS H 1 66 LYS QG 2.655 . 3.510 2.633 1.984 3.486 . 0 0 "[ . 1 . 2]" 1
1013 1 66 LYS H 1 66 LYS HG3 3.010 . 4.220 3.688 2.807 4.278 0.058 20 0 "[ . 1 . 2]" 1
1014 1 66 LYS H 1 67 GLU H 2.525 . 3.250 2.281 1.945 2.528 . 0 0 "[ . 1 . 2]" 1
1015 1 66 LYS H 1 67 GLU QG 2.625 . 3.450 3.229 2.906 3.490 0.040 5 0 "[ . 1 . 2]" 1
1016 1 66 LYS HA 1 66 LYS HD2 3.050 . 4.300 3.143 2.039 4.515 0.215 14 0 "[ . 1 . 2]" 1
1017 1 66 LYS HA 1 66 LYS QD 2.740 . 3.680 2.597 2.029 3.863 0.183 14 0 "[ . 1 . 2]" 1
1018 1 66 LYS HA 1 66 LYS HD3 3.050 . 4.300 3.159 2.109 4.498 0.198 2 0 "[ . 1 . 2]" 1
1019 1 66 LYS HA 1 66 LYS HG2 2.870 . 3.940 3.220 2.300 3.637 . 0 0 "[ . 1 . 2]" 1
1020 1 66 LYS HA 1 66 LYS QG 2.580 . 3.360 2.854 2.225 3.270 . 0 0 "[ . 1 . 2]" 1
1021 1 66 LYS HA 1 66 LYS HG3 2.870 . 3.940 3.465 2.297 3.936 . 0 0 "[ . 1 . 2]" 1
1022 1 66 LYS QB 1 66 LYS QD 2.385 . 2.970 2.394 2.097 2.761 . 0 0 "[ . 1 . 2]" 1
1023 1 66 LYS QG 1 67 GLU H 3.190 . 4.580 4.361 3.998 4.746 0.166 5 0 "[ . 1 . 2]" 1
1024 1 67 GLU H 1 67 GLU QB 2.695 . 3.590 2.486 2.358 2.959 . 0 0 "[ . 1 . 2]" 1
1025 1 67 GLU H 1 67 GLU HG2 2.710 . 3.620 2.307 1.874 2.500 . 0 0 "[ . 1 . 2]" 1
1026 1 67 GLU H 1 67 GLU QG 2.480 . 3.160 2.282 1.854 2.467 . 0 0 "[ . 1 . 2]" 1
1027 1 67 GLU H 1 67 GLU HG3 2.710 . 3.620 3.622 2.933 3.784 0.164 10 0 "[ . 1 . 2]" 1
1028 1 67 GLU H 1 68 THR H 3.205 . 4.610 4.554 4.406 4.620 0.010 7 0 "[ . 1 . 2]" 1
1029 1 67 GLU H 1 72 VAL QG 2.910 . 4.020 3.478 3.262 3.775 . 0 0 "[ . 1 . 2]" 1
1030 1 67 GLU HA 1 67 GLU QG 2.645 . 3.490 2.987 2.843 3.359 . 0 0 "[ . 1 . 2]" 1
1031 1 67 GLU HA 1 68 THR H 2.570 . 3.340 2.465 2.304 2.798 . 0 0 "[ . 1 . 2]" 1
1032 1 67 GLU HA 1 68 THR MG 2.990 . 4.180 3.588 3.476 3.698 . 0 0 "[ . 1 . 2]" 1
1033 1 67 GLU HA 1 71 GLN HG3 3.405 . 5.010 4.228 3.457 5.021 0.011 2 0 "[ . 1 . 2]" 1
1034 1 67 GLU HA 1 72 VAL QG 3.425 . 5.050 4.291 4.003 4.711 . 0 0 "[ . 1 . 2]" 1
1035 1 67 GLU QB 1 68 THR H 2.825 . 3.850 2.359 1.896 2.821 . 0 0 "[ . 1 . 2]" 1
1036 1 67 GLU QB 1 68 THR MG 3.065 . 4.330 4.000 3.373 4.247 . 0 0 "[ . 1 . 2]" 1
1037 1 67 GLU QB 1 71 GLN QB 3.085 . 4.370 2.029 1.782 2.356 0.018 6 0 "[ . 1 . 2]" 1
1038 1 67 GLU QB 1 72 VAL H 3.275 . 4.750 3.346 3.011 4.408 . 0 0 "[ . 1 . 2]" 1
1039 1 67 GLU QG 1 68 THR H 3.225 . 4.650 4.212 3.336 4.526 . 0 0 "[ . 1 . 2]" 1
1040 1 67 GLU QG 1 72 VAL QG 2.645 . 3.490 2.987 2.007 3.303 . 0 0 "[ . 1 . 2]" 1
1041 1 67 GLU HG2 1 68 THR H 3.650 . 5.500 4.814 4.405 5.008 . 0 0 "[ . 1 . 2]" 1
1042 1 67 GLU HG2 1 72 VAL MG1 3.650 . 5.500 5.495 5.054 5.590 0.090 6 0 "[ . 1 . 2]" 1
1043 1 67 GLU HG2 1 72 VAL MG2 3.650 . 5.500 3.698 2.945 3.984 . 0 0 "[ . 1 . 2]" 1
1044 1 67 GLU HG3 1 68 THR H 3.650 . 5.500 4.683 3.455 5.217 . 0 0 "[ . 1 . 2]" 1
1045 1 67 GLU HG3 1 72 VAL MG1 3.650 . 5.500 4.868 4.417 5.265 . 0 0 "[ . 1 . 2]" 1
1046 1 67 GLU HG3 1 72 VAL MG2 3.650 . 5.500 3.240 2.048 3.716 . 0 0 "[ . 1 . 2]" 1
1047 1 68 THR H 1 68 THR MG 2.545 . 3.290 2.112 1.901 2.484 . 0 0 "[ . 1 . 2]" 1
1048 1 68 THR H 1 71 GLN H 3.135 . 4.470 3.725 3.278 3.958 . 0 0 "[ . 1 . 2]" 1
1049 1 68 THR H 1 71 GLN HA 3.650 . 5.500 5.172 4.744 5.464 . 0 0 "[ . 1 . 2]" 1
1050 1 68 THR H 1 71 GLN QB 2.745 . 3.690 2.302 1.803 2.646 . 0 0 "[ . 1 . 2]" 1
1051 1 68 THR H 1 71 GLN HG2 2.920 . 4.040 3.320 2.968 3.745 . 0 0 "[ . 1 . 2]" 1
1052 1 68 THR H 1 71 GLN HG3 2.990 . 4.180 2.863 2.294 3.502 . 0 0 "[ . 1 . 2]" 1
1053 1 68 THR H 1 72 VAL H 3.175 . 4.550 4.260 3.672 4.557 0.007 20 0 "[ . 1 . 2]" 1
1054 1 68 THR H 1 72 VAL QG 3.115 . 4.430 3.834 3.469 4.151 . 0 0 "[ . 1 . 2]" 1
1055 1 68 THR HA 1 68 THR MG 2.555 . 3.310 2.451 2.403 2.499 . 0 0 "[ . 1 . 2]" 1
1056 1 68 THR HA 1 69 HIS H 2.675 . 3.550 2.430 2.330 2.505 . 0 0 "[ . 1 . 2]" 1
1057 1 68 THR HA 1 69 HIS QB 3.330 . 4.860 4.299 4.209 4.371 . 0 0 "[ . 1 . 2]" 1
1058 1 68 THR HA 1 70 GLN H 3.305 . 4.810 4.425 4.235 4.623 . 0 0 "[ . 1 . 2]" 1
1059 1 68 THR HA 1 71 GLN H 3.280 . 4.760 4.557 4.433 4.636 . 0 0 "[ . 1 . 2]" 1
1060 1 68 THR HB 1 69 HIS H 2.795 . 3.790 2.467 2.202 2.674 . 0 0 "[ . 1 . 2]" 1
1061 1 68 THR HB 1 70 GLN H 2.835 . 3.870 3.084 2.847 3.330 . 0 0 "[ . 1 . 2]" 1
1062 1 68 THR HB 1 71 GLN H 2.990 . 4.180 3.711 3.493 3.864 . 0 0 "[ . 1 . 2]" 1
1063 1 68 THR MG 1 69 HIS H 2.870 . 3.940 3.842 3.698 3.952 0.012 2 0 "[ . 1 . 2]" 1
1064 1 68 THR MG 1 70 GLN H 3.195 . 4.590 4.450 4.261 4.631 0.041 10 0 "[ . 1 . 2]" 1
1065 1 68 THR MG 1 71 GLN H 2.965 . 4.130 4.004 3.895 4.147 0.017 10 0 "[ . 1 . 2]" 1
1066 1 68 THR MG 1 71 GLN HA 3.650 . 5.500 5.532 5.311 5.642 0.142 9 0 "[ . 1 . 2]" 1
1067 1 68 THR MG 1 71 GLN QB 2.960 . 4.120 3.594 3.389 3.792 . 0 0 "[ . 1 . 2]" 1
1068 1 68 THR MG 1 71 GLN HE21 3.150 . 4.500 4.355 3.744 4.593 0.093 10 0 "[ . 1 . 2]" 1
1069 1 68 THR MG 1 71 GLN HG2 3.035 . 4.270 3.212 2.995 3.503 . 0 0 "[ . 1 . 2]" 1
1070 1 68 THR MG 1 71 GLN HG3 3.165 . 4.530 3.171 2.681 3.531 . 0 0 "[ . 1 . 2]" 1
1071 1 69 HIS H 1 69 HIS QB 2.570 . 3.340 2.242 2.194 2.276 . 0 0 "[ . 1 . 2]" 1
1072 1 69 HIS H 1 70 GLN H 2.805 . 3.810 2.761 2.691 2.828 . 0 0 "[ . 1 . 2]" 1
1073 1 69 HIS H 1 70 GLN QB 3.335 . 4.870 4.546 4.427 4.940 0.070 16 0 "[ . 1 . 2]" 1
1074 1 69 HIS H 1 71 GLN H 3.295 . 4.790 4.221 4.089 4.309 . 0 0 "[ . 1 . 2]" 1
1075 1 69 HIS HA 1 72 VAL HB 2.915 . 4.030 3.169 2.861 3.505 . 0 0 "[ . 1 . 2]" 1
1076 1 69 HIS HA 1 72 VAL MG1 3.210 . 4.620 4.428 4.163 4.692 0.072 11 0 "[ . 1 . 2]" 1
1077 1 69 HIS HA 1 72 VAL QG 2.920 . 4.040 3.058 2.729 3.487 . 0 0 "[ . 1 . 2]" 1
1078 1 69 HIS HA 1 72 VAL MG2 3.210 . 4.620 3.121 2.760 3.605 . 0 0 "[ . 1 . 2]" 1
1079 1 69 HIS HA 1 73 VAL QG 3.010 . 4.220 3.754 3.405 4.135 . 0 0 "[ . 1 . 2]" 1
1080 1 69 HIS QB 1 70 GLN H 2.765 . 3.730 2.575 2.449 2.676 . 0 0 "[ . 1 . 2]" 1
1081 1 69 HIS HD2 1 70 GLN H 3.100 . 4.400 3.902 3.532 4.386 . 0 0 "[ . 1 . 2]" 1
1082 1 69 HIS HD2 1 70 GLN HA 3.210 . 4.620 3.816 3.254 4.653 0.033 5 0 "[ . 1 . 2]" 1
1083 1 69 HIS HE1 1 73 VAL MG2 2.795 . 3.790 3.176 2.247 3.813 0.023 15 0 "[ . 1 . 2]" 1
1084 1 70 GLN H 1 70 GLN HB2 2.620 . 3.440 2.604 2.375 3.571 0.131 10 0 "[ . 1 . 2]" 1
1085 1 70 GLN H 1 70 GLN HB3 2.620 . 3.440 2.618 2.362 3.562 0.122 4 0 "[ . 1 . 2]" 1
1086 1 70 GLN H 1 70 GLN HG2 3.190 . 4.580 4.160 2.028 4.610 0.030 7 0 "[ . 1 . 2]" 1
1087 1 70 GLN H 1 70 GLN HG3 3.190 . 4.580 4.136 2.291 4.518 . 0 0 "[ . 1 . 2]" 1
1088 1 70 GLN H 1 71 GLN H 2.690 . 3.580 2.686 2.599 2.757 . 0 0 "[ . 1 . 2]" 1
1089 1 70 GLN H 1 71 GLN HA 3.650 . 5.500 5.279 5.207 5.331 . 0 0 "[ . 1 . 2]" 1
1090 1 70 GLN HA 1 70 GLN HG2 2.885 . 3.970 3.382 2.437 3.894 . 0 0 "[ . 1 . 2]" 1
1091 1 70 GLN HA 1 70 GLN QG 2.610 . 3.420 2.732 2.345 3.347 . 0 0 "[ . 1 . 2]" 1
1092 1 70 GLN HA 1 70 GLN HG3 2.885 . 3.970 2.937 2.493 3.777 . 0 0 "[ . 1 . 2]" 1
1093 1 70 GLN HA 1 73 VAL H 2.760 . 3.720 3.704 3.475 3.779 0.059 17 0 "[ . 1 . 2]" 1
1094 1 70 GLN HA 1 73 VAL HB 2.860 . 3.920 3.100 2.782 3.396 . 0 0 "[ . 1 . 2]" 1
1095 1 70 GLN HA 1 73 VAL MG1 3.140 . 4.480 4.414 4.162 4.534 0.054 9 0 "[ . 1 . 2]" 1
1096 1 70 GLN HA 1 73 VAL QG 2.720 . 3.640 3.294 2.725 3.532 . 0 0 "[ . 1 . 2]" 1
1097 1 70 GLN HA 1 73 VAL MG2 3.140 . 4.480 3.410 2.748 3.787 . 0 0 "[ . 1 . 2]" 1
1098 1 70 GLN QB 1 70 GLN QE 3.110 . 4.420 2.858 1.762 3.722 0.038 18 0 "[ . 1 . 2]" 1
1099 1 70 GLN QB 1 71 GLN H 3.035 . 4.270 2.627 2.468 3.480 . 0 0 "[ . 1 . 2]" 1
1100 1 70 GLN QE 1 70 GLN QG 2.485 . 3.170 2.296 2.123 2.707 . 0 0 "[ . 1 . 2]" 1
1101 1 70 GLN QG 1 74 SER H 3.650 . 5.500 4.537 4.071 5.637 0.137 18 0 "[ . 1 . 2]" 1
1102 1 71 GLN H 1 71 GLN QB 2.470 . 3.140 2.360 2.221 2.456 . 0 0 "[ . 1 . 2]" 1
1103 1 71 GLN H 1 71 GLN HG2 2.415 . 3.030 2.447 2.190 2.743 . 0 0 "[ . 1 . 2]" 1
1104 1 71 GLN H 1 72 VAL H 2.615 . 3.430 2.707 2.627 2.792 . 0 0 "[ . 1 . 2]" 1
1105 1 71 GLN H 1 72 VAL QG 3.155 . 4.510 3.959 3.816 4.097 . 0 0 "[ . 1 . 2]" 1
1106 1 71 GLN H 1 73 VAL H 3.060 . 4.320 4.320 4.164 4.368 0.048 14 0 "[ . 1 . 2]" 1
1107 1 71 GLN HA 1 71 GLN HE21 3.255 . 4.710 3.880 2.565 4.653 . 0 0 "[ . 1 . 2]" 1
1108 1 71 GLN HA 1 71 GLN HG2 2.565 . 3.330 2.940 2.650 3.093 . 0 0 "[ . 1 . 2]" 1
1109 1 71 GLN HA 1 72 VAL QG 3.555 . 5.310 4.738 4.673 4.808 . 0 0 "[ . 1 . 2]" 1
1110 1 71 GLN QB 1 71 GLN HE21 3.080 . 4.360 3.622 2.678 4.018 . 0 0 "[ . 1 . 2]" 1
1111 1 71 GLN QB 1 72 VAL H 2.510 . 3.220 2.535 2.433 2.739 . 0 0 "[ . 1 . 2]" 1
1112 1 71 GLN QB 1 72 VAL QG 3.125 . 4.450 3.090 2.935 3.409 . 0 0 "[ . 1 . 2]" 1
1113 1 72 VAL H 1 72 VAL HB 2.770 . 3.740 2.577 2.480 2.667 . 0 0 "[ . 1 . 2]" 1
1114 1 72 VAL H 1 72 VAL MG1 2.840 . 3.880 3.764 3.748 3.777 . 0 0 "[ . 1 . 2]" 1
1115 1 72 VAL H 1 72 VAL QG 2.460 . 3.120 1.997 1.878 2.096 . 0 0 "[ . 1 . 2]" 1
1116 1 72 VAL H 1 72 VAL MG2 2.840 . 3.880 2.004 1.883 2.107 . 0 0 "[ . 1 . 2]" 1
1117 1 72 VAL HA 1 72 VAL MG1 2.745 . 3.690 2.388 2.322 2.443 . 0 0 "[ . 1 . 2]" 1
1118 1 72 VAL HA 1 72 VAL MG2 2.745 . 3.690 2.394 2.328 2.469 . 0 0 "[ . 1 . 2]" 1
1119 1 72 VAL HA 1 74 SER H 3.195 . 4.590 4.463 4.319 4.616 0.026 18 0 "[ . 1 . 2]" 1
1120 1 72 VAL HA 1 75 ARG H 3.030 . 4.260 3.618 3.321 3.986 . 0 0 "[ . 1 . 2]" 1
1121 1 72 VAL HA 1 75 ARG QD 3.425 . 5.050 3.229 2.472 4.600 . 0 0 "[ . 1 . 2]" 1
1122 1 72 VAL HB 1 73 VAL QG 3.370 . 4.940 3.066 2.844 3.267 . 0 0 "[ . 1 . 2]" 1
1123 1 72 VAL QG 1 73 VAL H 2.985 . 4.170 3.143 3.081 3.243 . 0 0 "[ . 1 . 2]" 1
1124 1 73 VAL H 1 73 VAL HB 2.540 . 3.280 2.541 2.447 2.621 . 0 0 "[ . 1 . 2]" 1
1125 1 73 VAL H 1 73 VAL MG1 2.810 . 3.820 3.772 3.754 3.789 . 0 0 "[ . 1 . 2]" 1
1126 1 73 VAL H 1 73 VAL MG2 2.810 . 3.820 2.081 1.947 2.183 . 0 0 "[ . 1 . 2]" 1
1127 1 73 VAL H 1 74 SER H 2.685 . 3.570 2.651 2.593 2.704 . 0 0 "[ . 1 . 2]" 1
1128 1 73 VAL H 1 75 ARG H 3.210 . 4.620 4.187 3.975 4.400 . 0 0 "[ . 1 . 2]" 1
1129 1 73 VAL HA 1 73 VAL MG1 2.715 . 3.630 2.424 2.371 2.466 . 0 0 "[ . 1 . 2]" 1
1130 1 73 VAL HA 1 73 VAL MG2 2.715 . 3.630 2.372 2.282 2.436 . 0 0 "[ . 1 . 2]" 1
1131 1 73 VAL HA 1 76 ILE H 3.045 . 4.290 3.455 3.277 3.712 . 0 0 "[ . 1 . 2]" 1
1132 1 73 VAL HA 1 76 ILE HB 3.165 . 4.530 3.115 2.866 3.541 . 0 0 "[ . 1 . 2]" 1
1133 1 73 VAL HA 1 76 ILE MD 2.955 . 4.110 2.439 2.168 2.728 . 0 0 "[ . 1 . 2]" 1
1134 1 73 VAL HB 1 74 SER H 2.510 . 3.220 2.682 2.546 2.808 . 0 0 "[ . 1 . 2]" 1
1135 1 73 VAL QG 1 74 SER H 2.640 . 3.480 3.244 3.154 3.305 . 0 0 "[ . 1 . 2]" 1
1136 1 73 VAL QG 1 76 ILE MD 2.555 . 3.310 3.072 2.756 3.326 0.016 2 0 "[ . 1 . 2]" 1
1137 1 73 VAL QG 1 77 ARG HA 3.410 . 5.020 5.043 4.897 5.126 0.106 9 0 "[ . 1 . 2]" 1
1138 1 73 VAL QG 1 77 ARG QD 3.050 . 4.300 2.446 2.124 2.797 . 0 0 "[ . 1 . 2]" 1
1139 1 73 VAL QG 1 77 ARG QG 2.720 . 3.640 2.549 2.339 2.747 . 0 0 "[ . 1 . 2]" 1
1140 1 73 VAL MG1 1 74 SER H 2.980 . 4.160 3.500 3.363 3.650 . 0 0 "[ . 1 . 2]" 1
1141 1 73 VAL MG1 2 3 THR MG 2.900 . 4.000 2.180 1.754 3.025 0.046 18 0 "[ . 1 . 2]" 1
1142 1 73 VAL MG2 1 74 SER H 2.980 . 4.160 3.843 3.685 3.974 . 0 0 "[ . 1 . 2]" 1
1143 1 73 VAL MG2 2 3 THR MG 2.900 . 4.000 2.667 1.779 3.589 0.021 10 0 "[ . 1 . 2]" 1
1144 1 73 VAL MG2 2 5 LEU QD 3.750 . 5.700 2.482 1.973 3.318 . 0 0 "[ . 1 . 2]" 1
1145 1 74 SER H 1 74 SER HB2 2.730 . 3.660 2.491 2.327 2.580 . 0 0 "[ . 1 . 2]" 1
1146 1 74 SER H 1 74 SER QB 2.400 . 3.000 2.379 2.212 2.524 . 0 0 "[ . 1 . 2]" 1
1147 1 74 SER H 1 74 SER HB3 2.730 . 3.660 3.157 2.587 3.602 . 0 0 "[ . 1 . 2]" 1
1148 1 74 SER H 1 75 ARG H 2.725 . 3.650 2.698 2.616 2.778 . 0 0 "[ . 1 . 2]" 1
1149 1 74 SER HA 1 77 ARG QD 2.915 . 4.030 3.238 2.566 4.186 0.156 2 0 "[ . 1 . 2]" 1
1150 1 74 SER QB 1 75 ARG H 2.415 . 3.030 2.635 2.514 2.744 . 0 0 "[ . 1 . 2]" 1
1151 1 74 SER QB 1 75 ARG QB 3.290 . 4.780 4.519 4.340 4.646 . 0 0 "[ . 1 . 2]" 1
1152 1 74 SER QB 1 75 ARG HG2 3.215 . 4.630 4.137 3.400 4.593 . 0 0 "[ . 1 . 2]" 1
1153 1 74 SER QB 1 76 ILE H 3.345 . 4.890 4.786 4.705 4.915 0.025 17 0 "[ . 1 . 2]" 1
1154 1 74 SER HB2 1 75 ARG H 2.825 . 3.850 3.230 2.577 3.887 0.037 17 0 "[ . 1 . 2]" 1
1155 1 74 SER HB3 1 75 ARG H 2.825 . 3.850 3.274 2.550 3.861 0.011 2 0 "[ . 1 . 2]" 1
1156 1 75 ARG H 1 75 ARG HB2 3.000 . 4.200 2.482 2.397 2.560 . 0 0 "[ . 1 . 2]" 1
1157 1 75 ARG H 1 75 ARG QB 2.665 . 3.530 2.439 2.362 2.507 . 0 0 "[ . 1 . 2]" 1
1158 1 75 ARG H 1 75 ARG HB3 3.000 . 4.200 3.592 3.565 3.615 . 0 0 "[ . 1 . 2]" 1
1159 1 75 ARG H 1 75 ARG HD2 3.330 . 4.860 4.193 3.845 4.709 . 0 0 "[ . 1 . 2]" 1
1160 1 75 ARG H 1 75 ARG QD 3.005 . 4.210 3.813 3.499 4.058 . 0 0 "[ . 1 . 2]" 1
1161 1 75 ARG H 1 75 ARG HD3 3.330 . 4.860 4.581 3.627 4.881 0.021 12 0 "[ . 1 . 2]" 1
1162 1 75 ARG H 1 75 ARG HG2 2.475 . 3.150 3.148 2.007 3.489 0.339 8 0 "[ . 1 . 2]" 1
1163 1 75 ARG H 1 75 ARG HG3 2.595 . 3.390 2.508 2.103 3.501 0.111 5 0 "[ . 1 . 2]" 1
1164 1 75 ARG H 1 76 ILE H 2.575 . 3.350 2.666 2.583 2.760 . 0 0 "[ . 1 . 2]" 1
1165 1 75 ARG H 1 76 ILE HG13 3.175 . 4.550 4.056 3.966 4.200 . 0 0 "[ . 1 . 2]" 1
1166 1 75 ARG HA 1 78 ALA MB 2.620 . 3.440 2.603 2.287 2.982 . 0 0 "[ . 1 . 2]" 1
1167 1 75 ARG QB 1 76 ILE H 2.820 . 3.840 2.549 2.374 2.702 . 0 0 "[ . 1 . 2]" 1
1168 1 75 ARG QB 1 76 ILE HG13 3.560 . 5.320 3.120 2.798 3.363 . 0 0 "[ . 1 . 2]" 1
1169 1 75 ARG QD 1 76 ILE H 3.450 . 5.100 4.752 4.612 4.906 . 0 0 "[ . 1 . 2]" 1
1170 1 76 ILE H 1 76 ILE HB 2.660 . 3.520 2.626 2.564 2.678 . 0 0 "[ . 1 . 2]" 1
1171 1 76 ILE H 1 76 ILE MD 2.925 . 4.050 3.500 3.412 3.565 . 0 0 "[ . 1 . 2]" 1
1172 1 76 ILE H 1 76 ILE HG12 3.035 . 4.270 3.245 3.132 3.375 . 0 0 "[ . 1 . 2]" 1
1173 1 76 ILE H 1 76 ILE HG13 2.460 . 3.120 1.961 1.855 2.071 . 0 0 "[ . 1 . 2]" 1
1174 1 76 ILE H 1 76 ILE MG 2.805 . 3.810 3.769 3.751 3.782 . 0 0 "[ . 1 . 2]" 1
1175 1 76 ILE H 1 77 ARG H 2.725 . 3.650 2.602 2.506 2.715 . 0 0 "[ . 1 . 2]" 1
1176 1 76 ILE H 1 77 ARG HA 3.650 . 5.500 5.233 5.164 5.310 . 0 0 "[ . 1 . 2]" 1
1177 1 76 ILE H 1 83 VAL QG 3.620 . 5.440 4.549 4.323 4.897 . 0 0 "[ . 1 . 2]" 1
1178 1 76 ILE HA 1 76 ILE MD 2.870 . 3.940 3.874 3.839 3.909 . 0 0 "[ . 1 . 2]" 1
1179 1 76 ILE HA 1 76 ILE HG13 2.545 . 3.290 3.089 3.005 3.144 . 0 0 "[ . 1 . 2]" 1
1180 1 76 ILE HA 1 76 ILE MG 2.705 . 3.610 2.341 2.301 2.403 . 0 0 "[ . 1 . 2]" 1
1181 1 76 ILE HA 1 79 ALA H 3.140 . 4.480 4.013 3.691 4.237 . 0 0 "[ . 1 . 2]" 1
1182 1 76 ILE HA 1 79 ALA MB 2.955 . 4.110 3.764 3.454 4.141 0.031 13 0 "[ . 1 . 2]" 1
1183 1 76 ILE HA 1 83 VAL MG1 3.150 . 4.500 3.506 2.975 4.035 . 0 0 "[ . 1 . 2]" 1
1184 1 76 ILE HA 1 83 VAL QG 2.720 . 3.640 2.274 2.013 2.609 . 0 0 "[ . 1 . 2]" 1
1185 1 76 ILE HA 1 83 VAL MG2 3.150 . 4.500 2.311 2.024 2.654 . 0 0 "[ . 1 . 2]" 1
1186 1 76 ILE HB 1 76 ILE MD 2.660 . 3.520 2.407 2.355 2.436 . 0 0 "[ . 1 . 2]" 1
1187 1 76 ILE HB 1 77 ARG H 2.515 . 3.230 2.603 2.467 2.795 . 0 0 "[ . 1 . 2]" 1
1188 1 76 ILE HB 2 5 LEU QD 2.900 . 4.000 2.266 1.957 2.728 . 0 0 "[ . 1 . 2]" 1
1189 1 76 ILE MD 1 76 ILE MG 2.400 . 3.000 1.953 1.926 2.013 . 0 0 "[ . 1 . 2]" 1
1190 1 76 ILE MD 1 85 LEU QD 2.735 . 3.670 2.446 2.061 2.763 . 0 0 "[ . 1 . 2]" 1
1191 1 76 ILE HG12 1 76 ILE MG 2.765 . 3.730 2.355 2.279 2.387 . 0 0 "[ . 1 . 2]" 1
1192 1 76 ILE HG12 1 85 LEU QD 3.415 . 3.910 2.285 1.879 2.887 . 0 0 "[ . 1 . 2]" 1
1193 1 76 ILE MG 1 77 ARG H 2.785 . 3.770 3.592 3.446 3.777 0.007 2 0 "[ . 1 . 2]" 1
1194 1 76 ILE MG 1 77 ARG HA 3.080 . 4.360 3.654 3.436 3.933 . 0 0 "[ . 1 . 2]" 1
1195 1 76 ILE MG 1 79 ALA MB 3.515 . 5.230 3.900 3.669 4.275 . 0 0 "[ . 1 . 2]" 1
1196 1 76 ILE MG 1 83 VAL QG 2.720 . 3.640 2.134 1.904 2.552 . 0 0 "[ . 1 . 2]" 1
1197 1 76 ILE MG 1 85 LEU QD 2.895 . 3.990 2.054 1.791 2.326 0.009 12 0 "[ . 1 . 2]" 1
1198 1 76 ILE MG 1 85 LEU HG 3.055 . 4.310 3.693 3.231 4.364 0.054 17 0 "[ . 1 . 2]" 1
1199 1 76 ILE MG 2 5 LEU HB2 3.150 . 4.500 4.236 3.772 4.530 0.030 11 0 "[ . 1 . 2]" 1
1200 1 76 ILE MG 2 5 LEU HB3 3.150 . 4.500 3.329 2.914 3.653 . 0 0 "[ . 1 . 2]" 1
1201 1 77 ARG H 1 77 ARG QB 2.415 . 3.030 2.365 2.274 2.542 . 0 0 "[ . 1 . 2]" 1
1202 1 77 ARG H 1 77 ARG HD2 3.650 . 5.500 4.474 3.746 4.929 . 0 0 "[ . 1 . 2]" 1
1203 1 77 ARG H 1 77 ARG QD 3.305 . 4.810 3.888 3.481 4.189 . 0 0 "[ . 1 . 2]" 1
1204 1 77 ARG H 1 77 ARG HD3 3.650 . 5.500 4.431 3.745 4.898 . 0 0 "[ . 1 . 2]" 1
1205 1 77 ARG H 1 77 ARG QG 2.645 . 3.490 2.416 1.983 2.605 . 0 0 "[ . 1 . 2]" 1
1206 1 77 ARG H 1 78 ALA H 2.650 . 3.500 2.543 2.501 2.618 . 0 0 "[ . 1 . 2]" 1
1207 1 77 ARG H 1 78 ALA MB 3.290 . 4.780 4.194 4.150 4.278 . 0 0 "[ . 1 . 2]" 1
1208 1 77 ARG H 1 79 ALA H 3.345 . 4.890 4.314 4.167 4.488 . 0 0 "[ . 1 . 2]" 1
1209 1 77 ARG HA 1 77 ARG HD2 3.600 . 5.400 4.564 2.247 4.827 . 0 0 "[ . 1 . 2]" 1
1210 1 77 ARG HA 1 77 ARG QD 3.180 . 4.560 3.985 2.231 4.216 . 0 0 "[ . 1 . 2]" 1
1211 1 77 ARG HA 1 77 ARG HD3 3.600 . 5.400 4.460 3.756 4.862 . 0 0 "[ . 1 . 2]" 1
1212 1 77 ARG HA 1 77 ARG HG2 2.835 . 3.870 2.502 2.364 3.021 . 0 0 "[ . 1 . 2]" 1
1213 1 77 ARG HA 1 77 ARG HG3 2.835 . 3.870 3.053 2.816 3.859 . 0 0 "[ . 1 . 2]" 1
1214 1 77 ARG QB 1 78 ALA H 2.605 . 3.410 2.954 2.900 3.007 . 0 0 "[ . 1 . 2]" 1
1215 1 77 ARG QB 1 78 ALA HA 3.140 . 4.480 3.912 3.802 4.028 . 0 0 "[ . 1 . 2]" 1
1216 1 78 ALA H 1 78 ALA MB 2.400 . 3.000 2.227 2.205 2.244 . 0 0 "[ . 1 . 2]" 1
1217 1 78 ALA H 1 79 ALA H 2.530 . 3.260 2.654 2.586 2.749 . 0 0 "[ . 1 . 2]" 1
1218 1 78 ALA H 1 79 ALA MB 3.130 . 4.460 4.305 4.169 4.393 . 0 0 "[ . 1 . 2]" 1
1219 1 78 ALA MB 1 79 ALA H 2.790 . 3.780 2.977 2.633 3.130 . 0 0 "[ . 1 . 2]" 1
1220 1 78 ALA MB 1 83 VAL QG 3.585 . 5.370 4.653 4.334 4.906 . 0 0 "[ . 1 . 2]" 1
1221 1 79 ALA H 1 79 ALA MB 2.365 . 2.930 2.243 2.224 2.264 . 0 0 "[ . 1 . 2]" 1
1222 1 79 ALA H 1 80 LEU H 3.180 . 4.560 4.329 2.366 4.610 0.050 6 0 "[ . 1 . 2]" 1
1223 1 79 ALA H 1 83 VAL HB 3.015 . 4.230 4.079 3.769 4.306 0.076 18 0 "[ . 1 . 2]" 1
1224 1 79 ALA H 1 83 VAL QG 3.035 . 4.270 3.848 3.643 4.025 . 0 0 "[ . 1 . 2]" 1
1225 1 79 ALA HA 1 80 LEU H 2.550 . 3.300 2.290 2.112 3.449 0.149 13 0 "[ . 1 . 2]" 1
1226 1 79 ALA HA 1 80 LEU QB 3.250 . 4.700 4.354 4.176 4.484 . 0 0 "[ . 1 . 2]" 1
1227 1 79 ALA MB 1 80 LEU H 2.795 . 3.790 2.928 2.576 3.297 . 0 0 "[ . 1 . 2]" 1
1228 1 79 ALA MB 1 80 LEU HA 3.185 . 4.570 4.387 4.126 4.530 . 0 0 "[ . 1 . 2]" 1
1229 1 79 ALA MB 1 81 ASN H 3.345 . 4.890 3.401 2.726 4.961 0.071 7 0 "[ . 1 . 2]" 1
1230 1 79 ALA MB 1 82 ALA H 2.900 . 4.000 3.485 2.747 3.970 . 0 0 "[ . 1 . 2]" 1
1231 1 79 ALA MB 1 82 ALA HA 3.185 . 4.570 4.071 3.723 4.540 . 0 0 "[ . 1 . 2]" 1
1232 1 79 ALA MB 1 83 VAL H 3.305 . 4.810 3.798 3.481 4.053 . 0 0 "[ . 1 . 2]" 1
1233 1 79 ALA MB 1 83 VAL HA 2.890 . 3.980 2.961 2.416 3.469 . 0 0 "[ . 1 . 2]" 1
1234 1 79 ALA MB 1 83 VAL HB 2.745 . 3.690 1.778 1.705 1.902 0.095 17 0 "[ . 1 . 2]" 1
1235 1 79 ALA MB 1 83 VAL MG1 2.915 . 4.030 2.858 2.518 3.166 . 0 0 "[ . 1 . 2]" 1
1236 1 79 ALA MB 1 83 VAL QG 2.445 . 3.090 2.339 2.095 2.486 . 0 0 "[ . 1 . 2]" 1
1237 1 79 ALA MB 1 83 VAL MG2 2.915 . 4.030 2.528 2.125 2.752 . 0 0 "[ . 1 . 2]" 1
1238 1 80 LEU H 1 80 LEU HB2 2.995 . 4.190 2.685 2.376 3.642 . 0 0 "[ . 1 . 2]" 1
1239 1 80 LEU H 1 80 LEU QB 2.590 . 3.380 2.512 2.344 3.406 0.026 20 0 "[ . 1 . 2]" 1
1240 1 80 LEU H 1 80 LEU HB3 2.995 . 4.190 3.542 2.427 4.114 . 0 0 "[ . 1 . 2]" 1
1241 1 80 LEU H 1 80 LEU QD 2.870 . 3.940 2.768 1.752 3.335 0.048 10 0 "[ . 1 . 2]" 1
1242 1 80 LEU H 1 80 LEU HG 2.795 . 3.790 2.861 2.212 3.892 0.102 8 0 "[ . 1 . 2]" 1
1243 1 80 LEU H 1 82 ALA H 3.305 . 4.810 4.208 3.490 4.896 0.086 20 0 "[ . 1 . 2]" 1
1244 1 80 LEU HA 1 80 LEU MD1 2.920 . 4.040 3.664 1.855 4.080 0.040 10 0 "[ . 1 . 2]" 1
1245 1 80 LEU HA 1 80 LEU QD 2.490 . 3.180 2.279 1.835 3.348 0.168 10 0 "[ . 1 . 2]" 1
1246 1 80 LEU HA 1 80 LEU MD2 2.920 . 4.040 2.471 1.935 3.701 . 0 0 "[ . 1 . 2]" 1
1247 1 80 LEU HA 1 80 LEU HG 2.765 . 3.730 3.100 2.414 3.719 . 0 0 "[ . 1 . 2]" 1
1248 1 80 LEU HB2 1 81 ASN H 3.320 . 4.840 2.929 1.919 4.390 . 0 0 "[ . 1 . 2]" 1
1249 1 80 LEU HB3 1 81 ASN H 3.320 . 4.840 3.621 2.905 4.040 . 0 0 "[ . 1 . 2]" 1
1250 1 81 ASN H 1 82 ALA H 2.705 . 3.610 2.303 1.789 3.638 0.028 9 0 "[ . 1 . 2]" 1
1251 1 81 ASN H 1 82 ALA HA 3.615 . 5.430 4.604 4.288 5.325 . 0 0 "[ . 1 . 2]" 1
1252 1 81 ASN QB 1 82 ALA H 2.665 . 3.530 2.471 2.051 3.614 0.084 5 0 "[ . 1 . 2]" 1
1253 1 81 ASN QB 1 82 ALA MB 3.065 . 4.330 3.466 3.255 4.125 . 0 0 "[ . 1 . 2]" 1
1254 1 81 ASN HB2 1 82 ALA H 2.960 . 4.120 3.802 3.577 4.131 0.011 5 0 "[ . 1 . 2]" 1
1255 1 81 ASN HB2 1 82 ALA MB 3.370 . 4.940 4.761 4.331 4.944 0.004 17 0 "[ . 1 . 2]" 1
1256 1 81 ASN HB3 1 82 ALA H 2.960 . 4.120 2.527 2.064 3.991 . 0 0 "[ . 1 . 2]" 1
1257 1 81 ASN HB3 1 82 ALA MB 3.370 . 4.940 3.612 3.317 4.898 . 0 0 "[ . 1 . 2]" 1
1258 1 82 ALA H 1 82 ALA MB 2.530 . 3.260 2.515 2.412 2.741 . 0 0 "[ . 1 . 2]" 1
1259 1 82 ALA H 1 83 VAL H 3.140 . 4.480 4.376 4.224 4.456 . 0 0 "[ . 1 . 2]" 1
1260 1 82 ALA H 1 83 VAL QG 3.580 . 5.360 4.871 4.334 5.192 . 0 0 "[ . 1 . 2]" 1
1261 1 82 ALA HA 1 83 VAL H 2.550 . 3.300 2.169 2.139 2.237 . 0 0 "[ . 1 . 2]" 1
1262 1 82 ALA HA 1 83 VAL MG1 3.290 . 4.780 3.528 3.289 3.759 . 0 0 "[ . 1 . 2]" 1
1263 1 82 ALA HA 1 83 VAL QG 3.335 . 4.870 3.484 3.262 3.693 . 0 0 "[ . 1 . 2]" 1
1264 1 82 ALA MB 1 83 VAL H 2.560 . 3.320 2.883 2.663 2.987 . 0 0 "[ . 1 . 2]" 1
1265 1 82 ALA MB 1 83 VAL QG 3.435 . 5.070 4.153 4.018 4.260 . 0 0 "[ . 1 . 2]" 1
1266 1 83 VAL H 1 83 VAL HB 2.960 . 4.120 3.259 3.041 3.460 . 0 0 "[ . 1 . 2]" 1
1267 1 83 VAL H 1 83 VAL MG1 3.140 . 4.480 2.232 2.107 2.370 . 0 0 "[ . 1 . 2]" 1
1268 1 83 VAL H 1 83 VAL QG 2.600 . 3.400 2.219 2.098 2.352 . 0 0 "[ . 1 . 2]" 1
1269 1 83 VAL H 1 83 VAL MG2 3.140 . 4.480 3.909 3.873 3.960 . 0 0 "[ . 1 . 2]" 1
1270 1 83 VAL HA 1 83 VAL MG1 2.990 . 4.180 3.217 3.207 3.226 . 0 0 "[ . 1 . 2]" 1
1271 1 83 VAL HA 1 83 VAL MG2 2.990 . 4.180 2.405 2.329 2.465 . 0 0 "[ . 1 . 2]" 1
1272 1 83 VAL HA 1 84 ARG H 2.480 . 3.160 2.229 2.152 2.312 . 0 0 "[ . 1 . 2]" 1
1273 1 83 VAL HA 1 84 ARG QB 3.310 . 4.820 4.432 3.994 4.647 . 0 0 "[ . 1 . 2]" 1
1274 1 83 VAL HB 1 85 LEU QD 3.620 . 5.440 4.034 3.638 4.485 . 0 0 "[ . 1 . 2]" 1
1275 1 83 VAL QG 1 84 ARG H 2.595 . 3.390 2.396 2.180 2.607 . 0 0 "[ . 1 . 2]" 1
1276 1 83 VAL QG 1 85 LEU HA 3.115 . 4.430 3.795 3.658 4.072 . 0 0 "[ . 1 . 2]" 1
1277 1 83 VAL QG 1 85 LEU HG 3.045 . 4.290 2.848 2.080 3.719 . 0 0 "[ . 1 . 2]" 1
1278 1 83 VAL MG1 1 84 ARG H 3.080 . 4.360 3.886 3.737 4.011 . 0 0 "[ . 1 . 2]" 1
1279 1 83 VAL MG1 1 85 LEU HG 3.540 . 5.280 3.004 2.143 3.946 . 0 0 "[ . 1 . 2]" 1
1280 1 83 VAL MG2 1 84 ARG H 3.080 . 4.360 2.420 2.193 2.641 . 0 0 "[ . 1 . 2]" 1
1281 1 83 VAL MG2 1 85 LEU HG 3.540 . 5.280 3.583 2.530 4.636 . 0 0 "[ . 1 . 2]" 1
1282 1 84 ARG H 1 84 ARG HB2 2.905 . 4.010 2.663 2.364 3.656 . 0 0 "[ . 1 . 2]" 1
1283 1 84 ARG H 1 84 ARG QB 2.575 . 3.350 2.472 2.191 2.815 . 0 0 "[ . 1 . 2]" 1
1284 1 84 ARG H 1 84 ARG HB3 2.905 . 4.010 3.480 2.220 3.708 . 0 0 "[ . 1 . 2]" 1
1285 1 84 ARG H 1 84 ARG QD 3.105 . 4.410 3.678 2.071 4.492 0.082 2 0 "[ . 1 . 2]" 1
1286 1 84 ARG H 1 85 LEU H 3.455 . 5.110 4.290 4.234 4.372 . 0 0 "[ . 1 . 2]" 1
1287 1 84 ARG HA 1 84 ARG QD 3.160 . 4.520 3.784 2.291 4.479 . 0 0 "[ . 1 . 2]" 1
1288 1 84 ARG HA 1 85 LEU H 2.615 . 3.430 2.131 2.091 2.174 . 0 0 "[ . 1 . 2]" 1
1289 1 84 ARG HA 1 85 LEU QD 3.300 . 4.800 3.791 2.996 4.356 . 0 0 "[ . 1 . 2]" 1
1290 1 84 ARG QB 1 84 ARG QD 2.400 . 3.000 2.252 2.101 2.491 . 0 0 "[ . 1 . 2]" 1
1291 1 84 ARG QB 1 85 LEU H 2.940 . 4.080 3.491 3.336 3.794 . 0 0 "[ . 1 . 2]" 1
1292 1 84 ARG HB2 1 85 LEU H 3.235 . 4.670 4.267 3.618 4.449 . 0 0 "[ . 1 . 2]" 1
1293 1 84 ARG HB3 1 85 LEU H 3.235 . 4.670 3.765 3.472 4.540 . 0 0 "[ . 1 . 2]" 1
1294 1 85 LEU H 1 85 LEU QB 2.640 . 3.480 2.539 2.356 3.132 . 0 0 "[ . 1 . 2]" 1
1295 1 85 LEU H 1 85 LEU QD 3.190 . 3.940 2.850 2.255 3.387 . 0 0 "[ . 1 . 2]" 1
1296 1 85 LEU HA 1 85 LEU QD 3.260 . 3.500 2.141 1.914 3.433 . 0 0 "[ . 1 . 2]" 1
1297 1 85 LEU HA 1 86 LEU H 2.595 . 3.390 2.164 2.099 2.231 . 0 0 "[ . 1 . 2]" 1
1298 1 85 LEU HA 1 87 VAL MG1 3.350 . 4.900 4.327 4.071 4.651 . 0 0 "[ . 1 . 2]" 1
1299 1 85 LEU QB 1 86 LEU H 3.010 . 4.220 3.374 3.125 3.631 . 0 0 "[ . 1 . 2]" 1
1300 1 85 LEU QB 1 87 VAL MG1 2.745 . 3.690 2.672 2.468 2.944 . 0 0 "[ . 1 . 2]" 1
1301 1 85 LEU QD 1 86 LEU H 3.080 . 4.360 3.650 3.379 4.080 . 0 0 "[ . 1 . 2]" 1
1302 1 86 LEU H 1 86 LEU QB 2.765 . 3.730 2.345 2.285 2.426 . 0 0 "[ . 1 . 2]" 1
1303 1 86 LEU H 1 86 LEU MD1 3.455 . 5.110 4.208 4.111 4.275 . 0 0 "[ . 1 . 2]" 1
1304 1 86 LEU H 1 86 LEU QD 3.030 . 4.260 3.783 3.671 3.872 . 0 0 "[ . 1 . 2]" 1
1305 1 86 LEU H 1 86 LEU MD2 3.455 . 5.110 4.296 4.015 4.425 . 0 0 "[ . 1 . 2]" 1
1306 1 86 LEU H 1 87 VAL H 3.215 . 4.630 4.446 4.389 4.532 . 0 0 "[ . 1 . 2]" 1
1307 1 86 LEU H 1 87 VAL MG1 3.430 . 5.060 3.974 3.822 4.201 . 0 0 "[ . 1 . 2]" 1
1308 1 86 LEU HA 1 86 LEU MD1 3.335 . 4.870 2.216 1.991 2.940 . 0 0 "[ . 1 . 2]" 1
1309 1 86 LEU HA 1 86 LEU QD 2.605 . 3.410 2.032 1.841 2.320 . 0 0 "[ . 1 . 2]" 1
1310 1 86 LEU HA 1 86 LEU MD2 3.335 . 4.870 3.478 1.865 3.919 . 0 0 "[ . 1 . 2]" 1
1311 1 86 LEU HA 1 87 VAL H 2.590 . 3.380 2.138 2.116 2.191 . 0 0 "[ . 1 . 2]" 1
1312 1 86 LEU HA 1 87 VAL MG1 3.095 . 4.390 3.755 3.569 3.853 . 0 0 "[ . 1 . 2]" 1
1313 1 86 LEU HA 1 87 VAL MG2 2.900 . 4.000 3.458 3.333 3.651 . 0 0 "[ . 1 . 2]" 1
1314 1 86 LEU QB 1 87 VAL H 3.065 . 4.330 3.723 3.658 3.784 . 0 0 "[ . 1 . 2]" 1
1315 1 86 LEU QD 1 87 VAL H 2.710 . 3.620 2.481 1.903 3.428 . 0 0 "[ . 1 . 2]" 1
1316 1 86 LEU QD 1 105 GLU HA 3.010 . 4.220 3.823 3.051 4.247 0.027 10 0 "[ . 1 . 2]" 1
1317 1 86 LEU QD 1 105 GLU QG 2.890 . 3.980 3.549 2.959 3.790 . 0 0 "[ . 1 . 2]" 1
1318 1 86 LEU MD1 1 87 VAL H 3.030 . 4.260 2.525 1.923 3.579 . 0 0 "[ . 1 . 2]" 1
1319 1 86 LEU MD2 1 87 VAL H 3.030 . 4.260 4.074 2.356 4.504 0.244 12 0 "[ . 1 . 2]" 1
1320 1 86 LEU MD2 1 105 GLU QG 2.755 . 3.710 3.672 3.147 4.368 0.658 1 1 "[+ . 1 . 2]" 1
1321 1 86 LEU HG 1 87 VAL H 3.090 . 4.380 3.266 2.790 4.619 0.239 3 0 "[ . 1 . 2]" 1
1322 1 87 VAL H 1 87 VAL MG1 3.050 . 4.300 3.123 2.917 3.246 . 0 0 "[ . 1 . 2]" 1
1323 1 87 VAL H 1 87 VAL MG2 2.710 . 3.620 2.211 2.137 2.280 . 0 0 "[ . 1 . 2]" 1
1324 1 87 VAL HA 1 87 VAL MG1 2.635 . 3.470 2.295 2.252 2.361 . 0 0 "[ . 1 . 2]" 1
1325 1 87 VAL HB 1 88 VAL H 2.925 . 4.050 2.664 2.577 2.734 . 0 0 "[ . 1 . 2]" 1
1326 1 87 VAL MG1 1 88 VAL H 3.075 . 4.350 3.594 3.468 3.774 . 0 0 "[ . 1 . 2]" 1
1327 1 87 VAL MG2 1 88 VAL H 2.805 . 3.810 3.749 3.595 3.822 0.012 8 0 "[ . 1 . 2]" 1
1328 1 88 VAL H 1 88 VAL QG 3.010 . 3.590 2.400 2.335 2.466 . 0 0 "[ . 1 . 2]" 1
1329 1 88 VAL HA 1 88 VAL QG 2.800 . 3.800 2.311 2.269 2.415 . 0 0 "[ . 1 . 2]" 1
1330 1 88 VAL HA 1 89 ASP H 2.665 . 3.530 2.245 2.181 2.321 . 0 0 "[ . 1 . 2]" 1
1331 1 88 VAL HB 1 89 ASP H 3.050 . 4.300 3.990 2.887 4.229 . 0 0 "[ . 1 . 2]" 1
1332 1 88 VAL QG 1 89 ASP H 2.810 . 3.820 2.451 2.162 3.375 . 0 0 "[ . 1 . 2]" 1
1333 1 88 VAL QG 1 91 GLU H 3.610 . 5.420 4.931 4.696 5.392 . 0 0 "[ . 1 . 2]" 1
1334 1 88 VAL QG 1 92 THR H 3.000 . 4.200 3.952 3.662 4.330 0.130 17 0 "[ . 1 . 2]" 1
1335 1 88 VAL QG 1 92 THR HA 3.385 . 4.970 4.602 4.182 5.097 0.127 15 0 "[ . 1 . 2]" 1
1336 1 88 VAL QG 1 93 ASP H 2.720 . 3.640 2.857 2.393 3.218 . 0 0 "[ . 1 . 2]" 1
1337 1 88 VAL QG 1 93 ASP HA 2.980 . 4.160 2.734 2.263 3.123 . 0 0 "[ . 1 . 2]" 1
1338 1 88 VAL QG 1 93 ASP QB 2.655 . 3.510 2.162 1.776 3.548 0.038 4 0 "[ . 1 . 2]" 1
1339 1 88 VAL QG 1 96 LEU QD 3.350 . 4.900 2.337 1.771 3.615 0.029 2 0 "[ . 1 . 2]" 1
1340 1 88 VAL QG 1 103 VAL QG 3.150 . 4.500 4.512 4.257 4.719 0.219 13 0 "[ . 1 . 2]" 1
1341 1 89 ASP H 1 92 THR H 3.175 . 4.550 4.388 3.931 4.597 0.047 12 0 "[ . 1 . 2]" 1
1342 1 89 ASP HA 1 90 PRO QD 2.515 . 3.230 1.900 1.784 2.088 0.016 4 0 "[ . 1 . 2]" 1
1343 1 89 ASP HA 1 91 GLU H 3.230 . 4.660 3.957 3.705 4.363 . 0 0 "[ . 1 . 2]" 1
1344 1 89 ASP QB 1 90 PRO QD 2.590 . 3.380 2.790 2.157 3.270 . 0 0 "[ . 1 . 2]" 1
1345 1 89 ASP QB 1 91 GLU H 2.700 . 3.600 2.786 2.437 3.374 . 0 0 "[ . 1 . 2]" 1
1346 1 89 ASP HB2 1 91 GLU H 3.110 . 4.420 3.589 2.951 4.514 0.094 17 0 "[ . 1 . 2]" 1
1347 1 89 ASP HB3 1 91 GLU H 3.110 . 4.420 3.079 2.498 4.587 0.167 4 0 "[ . 1 . 2]" 1
1348 1 90 PRO HA 1 93 ASP H 2.925 . 4.050 3.490 3.190 3.941 . 0 0 "[ . 1 . 2]" 1
1349 1 90 PRO HA 1 93 ASP QB 2.770 . 3.740 2.503 1.877 3.250 . 0 0 "[ . 1 . 2]" 1
1350 1 90 PRO QB 1 91 GLU H 2.815 . 3.830 2.742 2.446 2.939 . 0 0 "[ . 1 . 2]" 1
1351 1 90 PRO HB2 1 91 GLU H 3.150 . 4.500 2.788 2.473 3.000 . 0 0 "[ . 1 . 2]" 1
1352 1 90 PRO HB3 1 91 GLU H 3.150 . 4.500 4.073 3.871 4.205 . 0 0 "[ . 1 . 2]" 1
1353 1 90 PRO QD 1 91 GLU H 2.760 . 3.720 2.688 2.497 3.082 . 0 0 "[ . 1 . 2]" 1
1354 1 91 GLU H 1 91 GLU QB 2.400 . 3.000 2.542 2.393 2.855 . 0 0 "[ . 1 . 2]" 1
1355 1 91 GLU H 1 91 GLU HG2 2.880 . 3.960 2.935 1.794 3.814 0.006 10 0 "[ . 1 . 2]" 1
1356 1 91 GLU H 1 91 GLU QG 2.615 . 3.430 2.193 1.786 3.154 0.014 10 0 "[ . 1 . 2]" 1
1357 1 91 GLU H 1 91 GLU HG3 2.880 . 3.960 2.712 1.850 3.634 . 0 0 "[ . 1 . 2]" 1
1358 1 91 GLU H 1 92 THR H 2.545 . 3.290 2.551 2.454 2.647 . 0 0 "[ . 1 . 2]" 1
1359 1 91 GLU HA 1 91 GLU QG 2.600 . 3.400 2.743 2.373 3.444 0.044 15 0 "[ . 1 . 2]" 1
1360 1 91 GLU HA 1 94 GLU H 3.065 . 4.330 3.749 3.335 4.091 . 0 0 "[ . 1 . 2]" 1
1361 1 91 GLU HA 1 94 GLU QB 2.780 . 3.760 3.368 2.566 3.795 0.035 9 0 "[ . 1 . 2]" 1
1362 1 91 GLU QB 1 92 THR H 2.925 . 4.050 2.587 2.292 3.469 . 0 0 "[ . 1 . 2]" 1
1363 1 91 GLU QG 1 92 THR H 3.255 . 4.710 3.663 1.979 4.383 . 0 0 "[ . 1 . 2]" 1
1364 1 91 GLU HG2 1 92 THR H 3.640 . 5.480 4.352 2.436 5.002 . 0 0 "[ . 1 . 2]" 1
1365 1 91 GLU HG3 1 92 THR H 3.640 . 5.480 4.116 2.027 5.059 . 0 0 "[ . 1 . 2]" 1
1366 1 92 THR H 1 92 THR MG 3.035 . 4.270 3.746 3.720 3.778 . 0 0 "[ . 1 . 2]" 1
1367 1 92 THR HA 1 92 THR MG 2.585 . 3.370 2.347 2.204 2.445 . 0 0 "[ . 1 . 2]" 1
1368 1 92 THR HA 1 93 ASP H 2.685 . 3.570 3.506 3.452 3.554 . 0 0 "[ . 1 . 2]" 1
1369 1 92 THR HA 1 95 GLN H 2.960 . 4.120 3.407 2.980 3.749 . 0 0 "[ . 1 . 2]" 1
1370 1 92 THR HA 1 95 GLN QB 2.950 . 4.100 2.970 2.398 3.643 . 0 0 "[ . 1 . 2]" 1
1371 1 92 THR MG 1 93 ASP H 2.925 . 4.050 3.695 3.342 4.064 0.014 6 0 "[ . 1 . 2]" 1
1372 1 92 THR MG 1 95 GLN H 3.265 . 4.730 4.361 3.820 4.760 0.030 17 0 "[ . 1 . 2]" 1
1373 1 92 THR MG 1 96 LEU H 3.105 . 4.410 3.777 3.240 4.055 . 0 0 "[ . 1 . 2]" 1
1374 1 92 THR MG 1 96 LEU QD 2.595 . 3.390 2.089 1.757 2.377 0.043 19 0 "[ . 1 . 2]" 1
1375 1 92 THR MG 1 96 LEU HG 2.615 . 3.430 2.510 1.986 3.482 0.052 12 0 "[ . 1 . 2]" 1
1376 1 93 ASP H 1 93 ASP HB2 2.750 . 3.700 2.605 2.358 2.785 . 0 0 "[ . 1 . 2]" 1
1377 1 93 ASP H 1 93 ASP QB 2.490 . 3.180 2.226 2.164 2.327 . 0 0 "[ . 1 . 2]" 1
1378 1 93 ASP H 1 93 ASP HB3 2.750 . 3.700 2.478 2.259 3.589 . 0 0 "[ . 1 . 2]" 1
1379 1 93 ASP H 1 94 GLU H 2.780 . 3.760 2.709 2.660 2.800 . 0 0 "[ . 1 . 2]" 1
1380 1 93 ASP H 1 94 GLU QB 3.255 . 4.710 4.514 4.301 4.751 0.041 3 0 "[ . 1 . 2]" 1
1381 1 93 ASP HA 1 95 GLN QB 3.495 . 5.190 4.928 4.718 5.233 0.043 12 0 "[ . 1 . 2]" 1
1382 1 93 ASP HA 1 96 LEU H 3.175 . 4.550 3.184 2.988 3.426 . 0 0 "[ . 1 . 2]" 1
1383 1 93 ASP HA 1 96 LEU QB 3.205 . 4.610 2.396 2.059 3.816 . 0 0 "[ . 1 . 2]" 1
1384 1 93 ASP HA 1 96 LEU QD 2.935 . 4.070 2.921 1.891 3.825 . 0 0 "[ . 1 . 2]" 1
1385 1 93 ASP HA 1 97 GLN H 3.335 . 4.870 3.958 3.584 4.311 . 0 0 "[ . 1 . 2]" 1
1386 1 93 ASP QB 1 94 GLU H 2.615 . 3.430 2.678 2.516 2.854 . 0 0 "[ . 1 . 2]" 1
1387 1 94 GLU H 1 94 GLU QB 2.400 . 3.000 2.293 2.197 2.496 . 0 0 "[ . 1 . 2]" 1
1388 1 94 GLU H 1 94 GLU HG2 3.190 . 4.580 4.135 3.237 4.524 . 0 0 "[ . 1 . 2]" 1
1389 1 94 GLU H 1 94 GLU QG 2.885 . 3.970 3.418 1.985 3.970 0.000 14 0 "[ . 1 . 2]" 1
1390 1 94 GLU H 1 94 GLU HG3 3.190 . 4.580 3.752 2.003 4.468 . 0 0 "[ . 1 . 2]" 1
1391 1 94 GLU H 1 96 LEU QD 3.650 . 5.500 4.961 4.341 5.126 . 0 0 "[ . 1 . 2]" 1
1392 1 94 GLU HA 1 94 GLU HG2 2.590 . 3.380 2.921 2.468 3.305 . 0 0 "[ . 1 . 2]" 1
1393 1 94 GLU HA 1 94 GLU HG3 2.590 . 3.380 2.721 2.409 3.140 . 0 0 "[ . 1 . 2]" 1
1394 1 94 GLU QB 1 95 GLN H 2.965 . 4.130 2.535 2.370 2.691 . 0 0 "[ . 1 . 2]" 1
1395 1 94 GLU QG 1 95 GLN H 3.535 . 5.270 3.781 3.489 4.163 . 0 0 "[ . 1 . 2]" 1
1396 1 95 GLN H 1 95 GLN QB 2.400 . 3.000 2.235 2.180 2.291 . 0 0 "[ . 1 . 2]" 1
1397 1 95 GLN H 1 95 GLN QE 3.380 . 4.960 4.724 3.876 5.072 0.112 5 0 "[ . 1 . 2]" 1
1398 1 95 GLN H 1 95 GLN HG2 3.625 . 5.450 4.541 4.246 4.642 . 0 0 "[ . 1 . 2]" 1
1399 1 95 GLN H 1 95 GLN QG 3.240 . 4.680 3.988 3.898 4.066 . 0 0 "[ . 1 . 2]" 1
1400 1 95 GLN H 1 95 GLN HG3 3.625 . 5.450 4.423 4.316 4.539 . 0 0 "[ . 1 . 2]" 1
1401 1 95 GLN H 1 96 LEU H 2.765 . 3.730 2.546 2.461 2.669 . 0 0 "[ . 1 . 2]" 1
1402 1 95 GLN H 1 96 LEU QB 3.570 . 5.340 4.583 4.247 4.832 . 0 0 "[ . 1 . 2]" 1
1403 1 95 GLN H 1 96 LEU QD 3.650 . 5.500 4.029 3.418 4.397 . 0 0 "[ . 1 . 2]" 1
1404 1 95 GLN H 1 96 LEU HG 3.650 . 5.500 4.556 3.929 5.624 0.124 5 0 "[ . 1 . 2]" 1
1405 1 95 GLN HA 1 95 GLN HG2 2.795 . 3.790 3.557 2.430 3.866 0.076 18 0 "[ . 1 . 2]" 1
1406 1 95 GLN HA 1 95 GLN QG 2.540 . 3.280 2.836 2.319 3.108 . 0 0 "[ . 1 . 2]" 1
1407 1 95 GLN HA 1 95 GLN HG3 2.795 . 3.790 3.031 2.382 3.665 . 0 0 "[ . 1 . 2]" 1
1408 1 95 GLN HA 1 99 LEU QD 3.155 . 4.510 4.283 3.853 4.590 0.080 12 0 "[ . 1 . 2]" 1
1409 1 95 GLN QB 1 96 LEU H 2.710 . 3.620 2.575 2.455 2.675 . 0 0 "[ . 1 . 2]" 1
1410 1 95 GLN QB 1 99 LEU QD 3.280 . 4.760 3.922 3.231 4.321 . 0 0 "[ . 1 . 2]" 1
1411 1 95 GLN QE 1 95 GLN QG 2.445 . 3.090 2.278 2.149 2.691 . 0 0 "[ . 1 . 2]" 1
1412 1 95 GLN QE 1 99 LEU QD 2.735 . 3.670 2.962 2.101 3.812 0.142 5 0 "[ . 1 . 2]" 1
1413 1 95 GLN QG 1 96 LEU H 3.120 . 4.440 3.670 3.386 4.395 . 0 0 "[ . 1 . 2]" 1
1414 1 95 GLN QG 1 99 LEU QD 2.620 . 3.440 2.629 2.035 3.526 0.086 11 0 "[ . 1 . 2]" 1
1415 1 95 GLN HG2 1 96 LEU H 3.455 . 5.110 4.503 3.846 4.935 . 0 0 "[ . 1 . 2]" 1
1416 1 95 GLN HG2 1 99 LEU QD 3.620 . 5.440 3.466 2.584 4.113 . 0 0 "[ . 1 . 2]" 1
1417 1 95 GLN HG3 1 96 LEU H 3.455 . 5.110 4.055 3.496 4.931 . 0 0 "[ . 1 . 2]" 1
1418 1 95 GLN HG3 1 99 LEU QD 3.620 . 5.440 2.942 2.055 3.923 . 0 0 "[ . 1 . 2]" 1
1419 1 96 LEU H 1 96 LEU QB 2.625 . 3.450 2.444 2.181 2.620 . 0 0 "[ . 1 . 2]" 1
1420 1 96 LEU H 1 96 LEU QD 2.970 . 4.140 2.425 1.958 2.986 . 0 0 "[ . 1 . 2]" 1
1421 1 96 LEU H 1 96 LEU HG 2.645 . 3.490 2.649 2.035 3.606 0.116 10 0 "[ . 1 . 2]" 1
1422 1 96 LEU H 1 97 GLN H 2.825 . 3.850 2.673 2.610 2.767 . 0 0 "[ . 1 . 2]" 1
1423 1 96 LEU HA 1 96 LEU QD 2.570 . 3.340 2.044 1.864 3.347 0.007 12 0 "[ . 1 . 2]" 1
1424 1 96 LEU HA 1 96 LEU HG 3.010 . 4.220 3.523 3.301 3.755 . 0 0 "[ . 1 . 2]" 1
1425 1 96 LEU HA 1 99 LEU H 2.950 . 4.100 3.206 2.922 3.467 . 0 0 "[ . 1 . 2]" 1
1426 1 96 LEU HA 1 99 LEU QD 3.060 . 3.730 2.244 1.697 3.343 0.103 11 0 "[ . 1 . 2]" 1
1427 1 96 LEU HA 1 99 LEU HG 2.965 . 4.130 2.904 2.043 4.306 0.176 8 0 "[ . 1 . 2]" 1
1428 1 96 LEU QB 1 97 GLN H 2.530 . 3.260 2.705 2.404 3.508 0.248 12 0 "[ . 1 . 2]" 1
1429 1 96 LEU HB2 1 96 LEU QD 3.010 . 4.220 2.459 2.110 2.557 . 0 0 "[ . 1 . 2]" 1
1430 1 96 LEU HB2 1 97 GLN H 2.895 . 3.990 2.788 2.442 3.804 . 0 0 "[ . 1 . 2]" 1
1431 1 96 LEU HB3 1 96 LEU QD 3.010 . 4.220 2.089 2.048 2.191 . 0 0 "[ . 1 . 2]" 1
1432 1 96 LEU HB3 1 97 GLN H 2.895 . 3.990 3.724 3.429 4.111 0.121 12 0 "[ . 1 . 2]" 1
1433 1 96 LEU QD 1 97 GLN H 3.315 . 4.830 3.915 2.129 4.139 . 0 0 "[ . 1 . 2]" 1
1434 1 97 GLN H 1 97 GLN QB 2.400 . 3.000 2.495 2.358 2.718 . 0 0 "[ . 1 . 2]" 1
1435 1 97 GLN H 1 97 GLN HG2 2.710 . 3.620 2.604 1.955 3.616 . 0 0 "[ . 1 . 2]" 1
1436 1 97 GLN H 1 97 GLN HG3 2.710 . 3.620 2.991 2.071 3.657 0.037 16 0 "[ . 1 . 2]" 1
1437 1 97 GLN H 1 98 LYS H 2.585 . 3.370 2.679 2.592 2.831 . 0 0 "[ . 1 . 2]" 1
1438 1 97 GLN HA 1 97 GLN HG2 2.855 . 3.910 3.115 2.469 3.814 . 0 0 "[ . 1 . 2]" 1
1439 1 97 GLN HA 1 97 GLN QG 2.570 . 3.340 2.892 2.358 3.349 0.009 1 0 "[ . 1 . 2]" 1
1440 1 97 GLN HA 1 97 GLN HG3 2.855 . 3.910 3.512 2.990 3.808 . 0 0 "[ . 1 . 2]" 1
1441 1 97 GLN QB 1 98 LYS H 2.745 . 3.690 2.962 2.545 3.547 . 0 0 "[ . 1 . 2]" 1
1442 1 97 GLN HB2 1 98 LYS H 3.130 . 4.460 3.127 2.597 3.997 . 0 0 "[ . 1 . 2]" 1
1443 1 97 GLN HB3 1 98 LYS H 3.130 . 4.460 3.846 3.650 4.177 . 0 0 "[ . 1 . 2]" 1
1444 1 97 GLN QG 1 98 LYS H 3.225 . 4.650 3.455 2.166 4.207 . 0 0 "[ . 1 . 2]" 1
1445 1 98 LYS H 1 98 LYS QB 2.420 . 3.040 2.402 1.985 2.716 . 0 0 "[ . 1 . 2]" 1
1446 1 98 LYS H 1 98 LYS HG2 2.955 . 4.110 2.530 1.969 4.088 . 0 0 "[ . 1 . 2]" 1
1447 1 98 LYS H 1 98 LYS QG 2.580 . 3.360 2.439 1.960 3.466 0.106 3 0 "[ . 1 . 2]" 1
1448 1 98 LYS H 1 98 LYS HG3 2.955 . 4.110 3.687 3.502 4.208 0.098 3 0 "[ . 1 . 2]" 1
1449 1 98 LYS H 1 99 LEU H 2.555 . 3.310 2.565 2.494 2.695 . 0 0 "[ . 1 . 2]" 1
1450 1 98 LYS H 1 99 LEU QD 3.060 . 4.320 4.066 3.107 4.387 0.067 3 0 "[ . 1 . 2]" 1
1451 1 98 LYS HA 1 98 LYS HD2 3.045 . 4.290 2.758 2.049 3.092 . 0 0 "[ . 1 . 2]" 1
1452 1 98 LYS HA 1 98 LYS QD 2.750 . 3.700 2.176 1.810 2.864 . 0 0 "[ . 1 . 2]" 1
1453 1 98 LYS HA 1 98 LYS HD3 3.045 . 4.290 2.694 1.831 4.004 . 0 0 "[ . 1 . 2]" 1
1454 1 98 LYS HA 1 98 LYS QE 3.535 . 5.270 3.889 2.760 4.549 . 0 0 "[ . 1 . 2]" 1
1455 1 98 LYS HA 1 98 LYS HG2 2.870 . 3.940 3.071 2.318 3.635 . 0 0 "[ . 1 . 2]" 1
1456 1 98 LYS HA 1 98 LYS QG 2.535 . 3.270 2.831 2.279 3.205 . 0 0 "[ . 1 . 2]" 1
1457 1 98 LYS HA 1 98 LYS HG3 2.870 . 3.940 3.613 2.305 3.888 . 0 0 "[ . 1 . 2]" 1
1458 1 98 LYS QB 1 99 LEU QD 2.575 . 3.350 2.907 2.528 3.275 . 0 0 "[ . 1 . 2]" 1
1459 1 98 LYS QE 1 98 LYS QG 2.560 . 3.320 2.306 2.119 2.895 . 0 0 "[ . 1 . 2]" 1
1460 1 99 LEU H 1 99 LEU HB2 2.735 . 3.670 2.582 2.303 2.704 . 0 0 "[ . 1 . 2]" 1
1461 1 99 LEU H 1 99 LEU QB 2.445 . 3.090 2.528 2.275 2.643 . 0 0 "[ . 1 . 2]" 1
1462 1 99 LEU H 1 99 LEU HB3 2.735 . 3.670 3.618 3.536 3.723 0.053 13 0 "[ . 1 . 2]" 1
1463 1 99 LEU H 1 99 LEU QD 3.000 . 3.520 2.644 1.788 3.088 0.012 11 0 "[ . 1 . 2]" 1
1464 1 99 LEU H 1 99 LEU HG 2.755 . 3.710 2.519 2.048 3.841 0.131 15 0 "[ . 1 . 2]" 1
1465 1 99 LEU H 1 100 GLY H 2.675 . 3.550 2.669 2.381 3.119 . 0 0 "[ . 1 . 2]" 1
1466 1 99 LEU HA 1 99 LEU QD 2.860 . 3.000 2.291 2.040 3.127 0.127 11 0 "[ . 1 . 2]" 1
1467 1 99 LEU HA 1 99 LEU HG 2.885 . 3.970 3.142 2.404 3.509 . 0 0 "[ . 1 . 2]" 1
1468 1 99 LEU HA 1 101 VAL H 3.035 . 4.270 4.126 3.632 4.437 0.167 12 0 "[ . 1 . 2]" 1
1469 1 99 LEU QB 1 99 LEU QD 2.400 . 3.000 1.954 1.865 1.993 . 0 0 "[ . 1 . 2]" 1
1470 1 99 LEU HB2 1 100 GLY H 2.990 . 4.180 2.173 1.731 2.589 0.069 13 0 "[ . 1 . 2]" 1
1471 1 99 LEU HB2 1 101 VAL H 2.805 . 3.810 3.254 2.667 4.191 0.381 8 0 "[ . 1 . 2]" 1
1472 1 99 LEU HB3 1 100 GLY H 2.990 . 4.180 3.330 2.447 3.802 . 0 0 "[ . 1 . 2]" 1
1473 1 99 LEU QD 1 100 GLY H 3.315 . 4.830 3.717 3.080 3.996 . 0 0 "[ . 1 . 2]" 1
1474 1 99 LEU HG 1 100 GLY H 3.190 . 4.580 4.073 3.746 4.746 0.166 8 0 "[ . 1 . 2]" 1
1475 1 100 GLY H 1 101 VAL H 2.525 . 3.250 2.872 2.472 3.301 0.051 2 0 "[ . 1 . 2]" 1
1476 1 100 GLY H 1 101 VAL QG 3.490 . 5.180 3.953 3.651 4.577 . 0 0 "[ . 1 . 2]" 1
1477 1 100 GLY QA 1 101 VAL H 2.445 . 3.090 2.829 2.624 2.928 . 0 0 "[ . 1 . 2]" 1
1478 1 100 GLY QA 1 101 VAL QG 3.245 . 4.690 3.839 3.449 4.109 . 0 0 "[ . 1 . 2]" 1
1479 1 101 VAL H 1 101 VAL HB 2.835 . 3.870 2.920 2.502 3.765 . 0 0 "[ . 1 . 2]" 1
1480 1 101 VAL H 1 101 VAL QG 2.820 . 3.000 1.986 1.853 2.228 . 0 0 "[ . 1 . 2]" 1
1481 1 101 VAL H 1 102 GLN H 3.300 . 4.800 4.164 3.435 4.638 . 0 0 "[ . 1 . 2]" 1
1482 1 101 VAL HA 1 101 VAL QG 2.605 . 3.000 2.263 2.124 2.393 . 0 0 "[ . 1 . 2]" 1
1483 1 101 VAL HA 1 102 GLN H 2.485 . 3.170 2.339 2.128 2.654 . 0 0 "[ . 1 . 2]" 1
1484 1 101 VAL HA 1 102 GLN QB 3.155 . 4.510 4.320 3.831 4.556 0.046 6 0 "[ . 1 . 2]" 1
1485 1 101 VAL HA 1 102 GLN QG 3.065 . 4.330 3.610 3.017 4.408 0.078 14 0 "[ . 1 . 2]" 1
1486 1 101 VAL QG 1 102 GLN H 2.720 . 3.640 2.992 2.094 3.712 0.072 12 0 "[ . 1 . 2]" 1
1487 1 101 VAL QG 1 102 GLN QB 2.845 . 3.890 3.436 2.627 3.908 0.018 9 0 "[ . 1 . 2]" 1
1488 1 101 VAL QG 1 102 GLN QG 3.445 . 5.090 3.525 1.770 4.555 0.030 2 0 "[ . 1 . 2]" 1
1489 1 102 GLN H 1 102 GLN QB 2.650 . 3.500 2.861 2.276 3.396 . 0 0 "[ . 1 . 2]" 1
1490 1 102 GLN H 1 102 GLN QG 2.890 . 3.980 2.681 2.312 3.390 . 0 0 "[ . 1 . 2]" 1
1491 1 102 GLN HA 1 102 GLN HG2 2.875 . 3.950 2.898 2.456 3.825 . 0 0 "[ . 1 . 2]" 1
1492 1 102 GLN HA 1 102 GLN HG3 2.875 . 3.950 3.320 2.450 3.800 . 0 0 "[ . 1 . 2]" 1
1493 1 102 GLN QB 1 103 VAL H 2.965 . 4.130 3.706 2.536 4.066 . 0 0 "[ . 1 . 2]" 1
1494 1 102 GLN QE 1 102 GLN QG 2.470 . 3.140 2.279 2.115 2.683 . 0 0 "[ . 1 . 2]" 1
1495 1 103 VAL H 1 103 VAL HB 2.975 . 4.150 2.949 2.434 3.638 . 0 0 "[ . 1 . 2]" 1
1496 1 103 VAL HA 1 103 VAL QG 2.890 . 3.980 2.242 2.114 2.351 . 0 0 "[ . 1 . 2]" 1
1497 1 103 VAL HA 1 107 LEU QD 3.150 . 4.500 3.368 1.758 4.137 0.042 15 0 "[ . 1 . 2]" 1
1498 1 103 VAL QG 1 107 LEU QB 3.150 . 4.500 2.610 1.896 3.418 . 0 0 "[ . 1 . 2]" 1
1499 1 103 VAL QG 1 107 LEU HB3 2.875 . 3.950 3.227 1.966 4.425 0.475 15 0 "[ . 1 . 2]" 1
1500 1 103 VAL QG 1 107 LEU QD 2.680 . 3.560 2.506 1.780 3.604 0.044 2 0 "[ . 1 . 2]" 1
1501 1 105 GLU H 1 105 GLU QG 3.150 . 4.500 3.527 2.481 4.417 . 0 0 "[ . 1 . 2]" 1
1502 1 105 GLU HA 1 105 GLU QG 2.760 . 3.720 2.455 2.147 3.406 . 0 0 "[ . 1 . 2]" 1
1503 1 105 GLU HA 1 108 LEU H 3.150 . 4.500 3.483 2.601 3.979 . 0 0 "[ . 1 . 2]" 1
1504 1 105 GLU QG 1 108 LEU QB 3.280 . 4.760 4.103 2.744 4.874 0.114 14 0 "[ . 1 . 2]" 1
1505 1 105 GLU QG 1 108 LEU QD 2.750 . 3.700 3.329 2.470 3.835 0.135 16 0 "[ . 1 . 2]" 1
1506 1 107 LEU HA 1 107 LEU QD 2.935 . 3.100 2.017 1.790 2.966 0.010 3 0 "[ . 1 . 2]" 1
1507 1 107 LEU HA 1 107 LEU HG 2.940 . 4.080 3.413 2.394 3.710 . 0 0 "[ . 1 . 2]" 1
1508 1 107 LEU QB 1 107 LEU QD 2.400 . 3.000 2.016 1.898 2.072 . 0 0 "[ . 1 . 2]" 1
1509 1 107 LEU QB 1 108 LEU H 2.870 . 3.940 2.760 2.532 3.047 . 0 0 "[ . 1 . 2]" 1
1510 1 107 LEU HB2 1 107 LEU HG 2.400 . 3.000 2.485 2.310 3.024 0.024 5 0 "[ . 1 . 2]" 1
1511 1 107 LEU HB2 1 108 LEU H 3.210 . 4.620 3.738 2.900 4.031 . 0 0 "[ . 1 . 2]" 1
1512 1 107 LEU HB3 1 108 LEU H 3.210 . 4.620 2.950 2.579 3.983 . 0 0 "[ . 1 . 2]" 1
1513 1 107 LEU QD 1 108 LEU H 3.200 . 4.600 3.648 3.101 4.218 . 0 0 "[ . 1 . 2]" 1
1514 1 107 LEU QD 1 110 ALA H 3.090 . 4.380 4.087 3.549 4.489 0.109 3 0 "[ . 1 . 2]" 1
1515 1 107 LEU QD 1 110 ALA HA 3.480 . 5.160 4.342 3.017 5.179 0.019 7 0 "[ . 1 . 2]" 1
1516 1 107 LEU QD 1 110 ALA MB 3.115 . 4.430 3.199 2.283 4.549 0.119 12 0 "[ . 1 . 2]" 1
1517 1 108 LEU H 1 108 LEU HB2 2.670 . 3.540 2.461 2.310 2.598 . 0 0 "[ . 1 . 2]" 1
1518 1 108 LEU H 1 108 LEU QB 2.405 . 3.010 2.300 2.176 2.466 . 0 0 "[ . 1 . 2]" 1
1519 1 108 LEU H 1 108 LEU HB3 2.670 . 3.540 3.031 2.383 3.585 0.045 7 0 "[ . 1 . 2]" 1
1520 1 108 LEU H 1 108 LEU MD1 3.340 . 4.880 3.845 3.347 4.169 . 0 0 "[ . 1 . 2]" 1
1521 1 108 LEU H 1 108 LEU QD 2.905 . 4.010 3.267 1.854 3.728 . 0 0 "[ . 1 . 2]" 1
1522 1 108 LEU H 1 108 LEU MD2 3.340 . 4.880 3.631 1.863 4.247 . 0 0 "[ . 1 . 2]" 1
1523 1 108 LEU H 1 108 LEU HG 3.140 . 4.480 3.561 2.250 4.509 0.029 6 0 "[ . 1 . 2]" 1
1524 1 108 LEU H 1 109 ARG H 2.755 . 3.710 2.589 2.445 2.751 . 0 0 "[ . 1 . 2]" 1
1525 1 108 LEU H 1 109 ARG QG 3.110 . 4.420 4.213 3.728 4.502 0.082 19 0 "[ . 1 . 2]" 1
1526 1 108 LEU HA 1 108 LEU MD1 3.050 . 4.300 2.780 1.914 3.867 . 0 0 "[ . 1 . 2]" 1
1527 1 108 LEU HA 1 108 LEU QD 2.400 . 3.000 2.027 1.893 2.220 . 0 0 "[ . 1 . 2]" 1
1528 1 108 LEU HA 1 108 LEU MD2 3.050 . 4.300 3.025 1.926 3.938 . 0 0 "[ . 1 . 2]" 1
1529 1 108 LEU QB 1 108 LEU QD 2.400 . 3.000 1.953 1.923 2.068 . 0 0 "[ . 1 . 2]" 1
1530 1 108 LEU QB 1 109 ARG H 2.725 . 3.650 2.806 2.570 3.124 . 0 0 "[ . 1 . 2]" 1
1531 1 108 LEU HB2 1 108 LEU MD1 2.845 . 3.890 2.428 2.296 3.203 . 0 0 "[ . 1 . 2]" 1
1532 1 108 LEU HB2 1 108 LEU MD2 2.845 . 3.890 2.719 2.311 3.202 . 0 0 "[ . 1 . 2]" 1
1533 1 108 LEU HB3 1 108 LEU MD1 2.845 . 3.890 2.784 2.308 3.203 . 0 0 "[ . 1 . 2]" 1
1534 1 108 LEU HB3 1 108 LEU MD2 2.845 . 3.890 2.419 2.265 3.201 . 0 0 "[ . 1 . 2]" 1
1535 1 109 ARG H 1 109 ARG HB2 2.885 . 3.970 2.758 2.308 3.730 . 0 0 "[ . 1 . 2]" 1
1536 1 109 ARG H 1 109 ARG QB 2.450 . 3.100 2.632 2.281 3.221 0.121 10 0 "[ . 1 . 2]" 1
1537 1 109 ARG H 1 109 ARG HB3 2.885 . 3.970 3.647 3.449 3.786 . 0 0 "[ . 1 . 2]" 1
1538 1 109 ARG H 1 109 ARG HD2 3.650 . 5.500 4.009 2.163 5.266 . 0 0 "[ . 1 . 2]" 1
1539 1 109 ARG H 1 109 ARG QD 3.315 . 4.830 3.728 2.147 4.733 . 0 0 "[ . 1 . 2]" 1
1540 1 109 ARG H 1 109 ARG HD3 3.650 . 5.500 4.699 3.320 5.362 . 0 0 "[ . 1 . 2]" 1
1541 1 109 ARG H 1 109 ARG QG 2.575 . 3.350 2.529 2.132 3.084 . 0 0 "[ . 1 . 2]" 1
1542 1 109 ARG H 1 110 ALA H 3.220 . 4.640 2.899 2.328 3.693 . 0 0 "[ . 1 . 2]" 1
1543 1 109 ARG HA 1 109 ARG QD 2.785 . 3.770 3.191 1.964 3.978 0.208 17 0 "[ . 1 . 2]" 1
1544 1 109 ARG HA 1 109 ARG QG 2.760 . 3.720 2.796 2.332 3.379 . 0 0 "[ . 1 . 2]" 1
1545 1 109 ARG HA 1 110 ALA H 2.350 . 2.900 2.734 2.315 3.076 0.176 16 0 "[ . 1 . 2]" 1
1546 1 109 ARG HA 1 110 ALA MB 3.060 . 4.320 4.267 3.841 4.576 0.256 17 0 "[ . 1 . 2]" 1
1547 1 109 ARG QB 1 109 ARG QD 2.535 . 3.270 2.363 2.101 2.795 . 0 0 "[ . 1 . 2]" 1
1548 1 109 ARG QB 1 110 ALA H 2.775 . 3.750 3.792 3.513 3.936 0.186 7 0 "[ . 1 . 2]" 1
1549 1 109 ARG HB2 1 110 ALA H 3.200 . 4.600 4.145 3.759 4.403 . 0 0 "[ . 1 . 2]" 1
1550 1 109 ARG HB3 1 110 ALA H 3.200 . 4.600 4.413 4.218 4.562 . 0 0 "[ . 1 . 2]" 1
1551 1 109 ARG QG 1 110 ALA H 3.570 . 5.340 4.547 4.207 4.861 . 0 0 "[ . 1 . 2]" 1
1552 1 110 ALA H 1 110 ALA MB 2.415 . 3.030 2.491 2.210 2.966 . 0 0 "[ . 1 . 2]" 1
1553 1 110 ALA HA 1 111 GLN H 2.375 . 2.950 2.399 2.116 2.970 0.020 19 0 "[ . 1 . 2]" 1
1554 1 110 ALA HA 1 111 GLN QB 3.260 . 4.720 4.512 4.240 4.833 0.113 20 0 "[ . 1 . 2]" 1
1555 1 110 ALA MB 1 111 GLN H 2.795 . 3.790 2.949 1.789 3.673 0.011 1 0 "[ . 1 . 2]" 1
1556 1 110 ALA MB 1 111 GLN HA 3.225 . 4.650 4.241 4.015 4.488 . 0 0 "[ . 1 . 2]" 1
1557 1 111 GLN H 1 111 GLN HB2 2.825 . 3.850 3.180 2.269 3.927 0.077 19 0 "[ . 1 . 2]" 1
1558 1 111 GLN H 1 111 GLN QB 2.505 . 3.210 2.614 2.244 3.186 . 0 0 "[ . 1 . 2]" 1
1559 1 111 GLN H 1 111 GLN HB3 2.825 . 3.850 3.182 2.400 3.703 . 0 0 "[ . 1 . 2]" 1
1560 1 111 GLN H 1 111 GLN HG2 2.990 . 4.180 3.147 1.855 4.316 0.136 18 0 "[ . 1 . 2]" 1
1561 1 111 GLN H 1 111 GLN QG 2.670 . 3.540 2.704 1.836 3.534 . 0 0 "[ . 1 . 2]" 1
1562 1 111 GLN H 1 111 GLN HG3 2.990 . 4.180 3.311 2.664 4.118 . 0 0 "[ . 1 . 2]" 1
1563 1 111 GLN HA 1 111 GLN QG 2.770 . 3.740 2.953 2.137 3.481 . 0 0 "[ . 1 . 2]" 1
1564 1 111 GLN HA 1 112 GLU H 2.400 . 3.000 2.570 2.197 3.131 0.131 3 0 "[ . 1 . 2]" 1
1565 1 111 GLN HG2 1 112 GLU H 3.055 . 4.310 3.885 3.262 4.418 0.108 8 0 "[ . 1 . 2]" 1
1566 1 111 GLN HG3 1 112 GLU H 3.055 . 4.310 3.926 2.886 4.531 0.221 15 0 "[ . 1 . 2]" 1
1567 1 112 GLU H 1 112 GLU HB2 2.925 . 4.050 3.223 2.351 3.931 . 0 0 "[ . 1 . 2]" 1
1568 1 112 GLU H 1 112 GLU QB 2.635 . 3.470 2.871 2.288 3.382 . 0 0 "[ . 1 . 2]" 1
1569 1 112 GLU H 1 112 GLU HB3 2.925 . 4.050 3.485 2.595 4.097 0.047 3 0 "[ . 1 . 2]" 1
1570 1 112 GLU H 1 112 GLU HG2 3.460 . 5.120 3.679 1.851 5.197 0.077 19 0 "[ . 1 . 2]" 1
1571 1 112 GLU H 1 112 GLU QG 3.065 . 4.330 3.109 1.834 4.479 0.149 19 0 "[ . 1 . 2]" 1
1572 1 112 GLU H 1 112 GLU HG3 3.460 . 5.120 3.636 2.288 4.890 . 0 0 "[ . 1 . 2]" 1
1573 1 112 GLU HA 1 112 GLU QG 2.705 . 3.610 2.774 2.365 3.513 . 0 0 "[ . 1 . 2]" 1
1574 1 112 GLU HA 1 113 ALA H 2.285 . 2.770 2.267 2.063 2.895 0.125 18 0 "[ . 1 . 2]" 1
1575 1 112 GLU QB 1 113 ALA H 2.700 . 3.600 3.277 2.111 3.842 0.242 7 0 "[ . 1 . 2]" 1
1576 1 112 GLU HG2 1 113 ALA H 3.650 . 5.500 4.160 2.308 5.157 . 0 0 "[ . 1 . 2]" 1
1577 1 112 GLU HG3 1 113 ALA H 3.650 . 5.500 4.177 2.362 5.508 0.008 14 0 "[ . 1 . 2]" 1
1578 1 113 ALA H 1 113 ALA MB 2.410 . 3.020 2.574 2.227 2.920 . 0 0 "[ . 1 . 2]" 1
1579 1 113 ALA H 1 114 PRO HD2 3.425 . 5.050 4.490 3.309 5.127 0.077 2 0 "[ . 1 . 2]" 1
1580 1 113 ALA H 1 114 PRO HD3 3.425 . 5.050 3.466 2.108 4.850 . 0 0 "[ . 1 . 2]" 1
1581 1 113 ALA HA 1 114 PRO HD2 2.435 . 3.070 2.468 1.896 2.868 . 0 0 "[ . 1 . 2]" 1
1582 1 113 ALA HA 1 114 PRO HD3 2.435 . 3.070 2.230 1.770 2.863 0.030 2 0 "[ . 1 . 2]" 1
1583 1 113 ALA MB 1 114 PRO HD2 3.045 . 4.290 3.646 2.584 4.316 0.026 8 0 "[ . 1 . 2]" 1
1584 1 113 ALA MB 1 114 PRO QD 2.720 . 3.640 3.247 2.534 3.556 . 0 0 "[ . 1 . 2]" 1
1585 1 113 ALA MB 1 114 PRO HD3 3.045 . 4.290 3.768 3.360 4.119 . 0 0 "[ . 1 . 2]" 1
1586 1 114 PRO HA 1 115 GLY H 2.455 . 3.110 2.413 2.140 3.176 0.066 6 0 "[ . 1 . 2]" 1
1587 1 114 PRO QB 1 115 GLY H 2.915 . 4.030 3.668 2.779 4.000 . 0 0 "[ . 1 . 2]" 1
1588 1 114 PRO QD 1 115 GLY H 3.360 . 4.920 4.357 2.793 4.890 . 0 0 "[ . 1 . 2]" 1
1589 1 115 GLY QA 1 116 GLN H 2.460 . 3.120 2.332 2.104 2.797 . 0 0 "[ . 1 . 2]" 1
1590 1 116 GLN H 1 116 GLN HB2 2.720 . 3.640 2.914 2.264 3.795 0.155 4 0 "[ . 1 . 2]" 1
1591 1 116 GLN H 1 116 GLN HB3 2.720 . 3.640 3.295 2.453 3.709 0.069 17 0 "[ . 1 . 2]" 1
1592 1 116 GLN H 1 116 GLN HG2 3.650 . 5.500 3.880 2.368 5.256 . 0 0 "[ . 1 . 2]" 1
1593 1 116 GLN H 1 116 GLN QG 3.250 . 4.700 3.276 2.187 4.385 . 0 0 "[ . 1 . 2]" 1
1594 1 116 GLN H 1 116 GLN HG3 3.650 . 5.500 3.793 2.211 4.792 . 0 0 "[ . 1 . 2]" 1
1595 1 116 GLN HA 1 117 ALA H 2.535 . 3.270 2.466 2.134 3.304 0.034 3 0 "[ . 1 . 2]" 1
1596 1 117 ALA H 1 117 ALA MB 2.995 . 4.190 2.557 2.286 2.917 . 0 0 "[ . 1 . 2]" 1
1597 2 1 GLN HB2 2 1 GLN HG3 2.400 . 3.000 2.566 2.354 3.012 0.012 9 0 "[ . 1 . 2]" 1
1598 2 1 GLN HB3 2 1 GLN HG2 2.400 . 3.000 2.546 2.297 3.012 0.012 7 0 "[ . 1 . 2]" 1
1599 2 3 THR H 2 3 THR HA 2.590 . 3.380 2.896 2.764 2.951 . 0 0 "[ . 1 . 2]" 1
1600 2 3 THR H 2 3 THR HB 2.775 . 3.750 2.895 2.597 3.702 . 0 0 "[ . 1 . 2]" 1
1601 2 3 THR HA 2 3 THR HB 2.605 . 3.410 2.897 2.471 3.030 . 0 0 "[ . 1 . 2]" 1
1602 2 4 ARG HA 2 5 LEU H 2.400 . 3.000 2.167 2.101 2.319 . 0 0 "[ . 1 . 2]" 1
1603 2 4 ARG HB2 2 4 ARG QG 2.485 . 3.170 2.255 2.143 2.332 . 0 0 "[ . 1 . 2]" 1
1604 2 4 ARG HB3 2 4 ARG QD 2.620 . 3.440 2.451 2.179 2.855 . 0 0 "[ . 1 . 2]" 1
1605 2 4 ARG HB3 2 4 ARG QG 2.400 . 3.000 2.429 2.353 2.525 . 0 0 "[ . 1 . 2]" 1
1606 2 5 LEU HA 2 5 LEU HB2 2.950 . 4.100 2.990 2.961 3.012 . 0 0 "[ . 1 . 2]" 1
1607 2 5 LEU HA 2 5 LEU HB3 2.605 . 3.410 2.625 2.535 2.691 . 0 0 "[ . 1 . 2]" 1
1608 2 5 LEU HA 2 5 LEU QD 2.650 . 3.500 1.938 1.797 2.537 0.003 17 0 "[ . 1 . 2]" 1
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