NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
402578 |
1wfi   |
10084 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wfi
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 1887
_Distance_constraint_stats_list.Viol_count 2711
_Distance_constraint_stats_list.Viol_total 5381.130
_Distance_constraint_stats_list.Viol_max 0.969
_Distance_constraint_stats_list.Viol_rms 0.0449
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0071
_Distance_constraint_stats_list.Viol_average_violations_only 0.0992
_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 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLY 0.024 0.024 14 0 "[ . 1 . 2]"
1 8 PRO 3.771 0.545 19 1 "[ . 1 . +2]"
1 9 ASN 2.341 0.545 19 1 "[ . 1 . +2]"
1 10 TYR 4.635 0.387 10 0 "[ . 1 . 2]"
1 11 ARG 7.687 0.692 2 3 "[ + - 1 * . 2]"
1 12 TRP 6.481 0.692 2 3 "[ + - 1 * . 2]"
1 13 THR 2.813 0.239 1 0 "[ . 1 . 2]"
1 14 GLN 2.214 0.239 1 0 "[ . 1 . 2]"
1 15 THR 1.071 0.237 7 0 "[ . 1 . 2]"
1 16 LEU 1.237 0.141 1 0 "[ . 1 . 2]"
1 17 ALA 1.126 0.129 5 0 "[ . 1 . 2]"
1 18 GLU 2.934 0.254 6 0 "[ . 1 . 2]"
1 19 LEU 3.600 0.660 9 1 "[ . +1 . 2]"
1 20 ASP 5.718 0.311 11 0 "[ . 1 . 2]"
1 21 LEU 7.453 0.311 11 0 "[ . 1 . 2]"
1 22 ALA 1.326 0.187 19 0 "[ . 1 . 2]"
1 23 VAL 1.503 0.090 10 0 "[ . 1 . 2]"
1 24 PRO 0.156 0.082 19 0 "[ . 1 . 2]"
1 25 PHE 1.257 0.082 19 0 "[ . 1 . 2]"
1 26 ARG 0.984 0.196 11 0 "[ . 1 . 2]"
1 27 VAL 2.819 0.181 3 0 "[ . 1 . 2]"
1 28 SER 0.109 0.027 12 0 "[ . 1 . 2]"
1 29 PHE 1.139 0.085 11 0 "[ . 1 . 2]"
1 30 ARG 5.333 0.675 8 4 "[ . -+ 1 . **]"
1 31 LEU 6.985 0.675 8 4 "[ . -+ 1 . **]"
1 32 LYS 8.152 0.703 4 3 "[ +.- 1 * . 2]"
1 33 GLY 2.961 0.539 13 2 "[ .- 1 + . 2]"
1 34 LYS 3.711 0.589 9 1 "[ . +1 . 2]"
1 35 ASP 0.926 0.143 19 0 "[ . 1 . 2]"
1 36 VAL 6.120 0.603 13 2 "[ . 1 + .- 2]"
1 37 VAL 11.739 0.865 20 5 "[ .* 1 * .- * +]"
1 38 VAL 4.645 0.509 19 1 "[ . 1 . +2]"
1 39 ASP 1.656 0.509 19 1 "[ . 1 . +2]"
1 40 ILE 5.779 0.234 7 0 "[ . 1 . 2]"
1 41 GLN 13.691 0.969 6 2 "[ .+ 1 - . 2]"
1 42 ARG 10.028 0.746 18 1 "[ . 1 . + 2]"
1 43 ARG 1.836 0.381 8 0 "[ . 1 . 2]"
1 44 HIS 3.173 0.969 6 2 "[ .+ 1 - . 2]"
1 45 LEU 4.143 0.585 16 1 "[ . 1 .+ 2]"
1 46 ARG 2.880 0.163 19 0 "[ . 1 . 2]"
1 47 VAL 7.230 0.585 16 1 "[ . 1 .+ 2]"
1 48 GLY 7.190 0.865 20 5 "[ .* 1 * .* - +]"
1 49 LEU 2.284 0.179 18 0 "[ . 1 . 2]"
1 50 LYS 6.631 0.449 12 0 "[ . 1 . 2]"
1 51 GLY 1.763 0.160 16 0 "[ . 1 . 2]"
1 52 GLN 6.051 0.308 20 0 "[ . 1 . 2]"
1 53 PRO 6.172 0.308 20 0 "[ . 1 . 2]"
1 54 PRO 3.191 0.174 20 0 "[ . 1 . 2]"
1 55 VAL 5.866 0.810 10 5 "[ . +* . *-*2]"
1 56 VAL 9.202 0.810 10 5 "[ . +* . *-*2]"
1 57 ASP 0.956 0.107 19 0 "[ . 1 . 2]"
1 58 GLY 0.524 0.484 15 0 "[ . 1 . 2]"
1 59 GLU 3.278 0.542 12 1 "[ . 1 + . 2]"
1 60 LEU 3.447 0.542 12 1 "[ . 1 + . 2]"
1 61 TYR 4.022 0.386 15 0 "[ . 1 . 2]"
1 62 ASN 4.707 0.347 17 0 "[ . 1 . 2]"
1 63 GLU 2.280 0.292 7 0 "[ . 1 . 2]"
1 64 VAL 3.032 0.181 7 0 "[ . 1 . 2]"
1 65 LYS 2.167 0.288 8 0 "[ . 1 . 2]"
1 66 VAL 4.991 0.462 7 0 "[ . 1 . 2]"
1 67 GLU 1.554 0.275 6 0 "[ . 1 . 2]"
1 68 GLU 5.233 0.787 4 4 "[- +. ** 1 . 2]"
1 69 SER 5.669 0.787 4 3 "[- +. * 1 . 2]"
1 70 SER 6.030 0.448 7 0 "[ . 1 . 2]"
1 71 TRP 2.093 0.302 19 0 "[ . 1 . 2]"
1 72 LEU 3.875 0.228 3 0 "[ . 1 . 2]"
1 73 ILE 8.098 0.477 3 0 "[ . 1 . 2]"
1 74 GLU 0.306 0.048 15 0 "[ . 1 . 2]"
1 75 ASP 1.174 0.109 9 0 "[ . 1 . 2]"
1 76 GLY 0.461 0.109 10 0 "[ . 1 . 2]"
1 77 LYS 0.482 0.093 17 0 "[ . 1 . 2]"
1 78 VAL 0.062 0.029 3 0 "[ . 1 . 2]"
1 79 VAL 1.813 0.089 10 0 "[ . 1 . 2]"
1 80 THR 3.146 0.187 19 0 "[ . 1 . 2]"
1 81 VAL 2.535 0.142 11 0 "[ . 1 . 2]"
1 82 HIS 5.603 0.448 7 0 "[ . 1 . 2]"
1 83 LEU 1.414 0.397 4 0 "[ . 1 . 2]"
1 84 GLU 1.068 0.692 8 1 "[ . + 1 . 2]"
1 85 LYS 0.590 0.075 7 0 "[ . 1 . 2]"
1 86 ILE 0.925 0.130 10 0 "[ . 1 . 2]"
1 87 ASN 0.063 0.040 5 0 "[ . 1 . 2]"
1 88 LYS 1.071 0.245 5 0 "[ . 1 . 2]"
1 89 MET 2.217 0.564 5 1 "[ + 1 . 2]"
1 90 GLU 8.891 0.642 13 5 "[* -. *1 + . * 2]"
1 91 TRP 0.581 0.272 5 0 "[ . 1 . 2]"
1 92 TRP 7.754 0.660 9 3 "[ -. +1 . * 2]"
1 93 ASN 0.113 0.082 8 0 "[ . 1 . 2]"
1 94 ARG 16.055 0.796 15 3 "[ -. 1 * + 2]"
1 95 LEU 2.722 0.230 19 0 "[ . 1 . 2]"
1 96 VAL 5.057 0.548 15 1 "[ . 1 + 2]"
1 97 THR 8.044 0.796 15 3 "[ *. 1 * + 2]"
1 98 SER 5.722 0.599 5 5 "[ * + - 1 . * *]"
1 99 ASP 4.849 0.599 5 5 "[ * + - 1 . * *]"
1 100 PRO 2.380 0.339 9 0 "[ . 1 . 2]"
1 101 GLU 3.679 0.339 9 0 "[ . 1 . 2]"
1 102 ILE 3.246 0.254 3 0 "[ . 1 . 2]"
1 103 ASN 1.234 0.129 14 0 "[ . 1 . 2]"
1 104 THR 0.773 0.129 14 0 "[ . 1 . 2]"
1 105 LYS 2.251 0.309 15 0 "[ . 1 . 2]"
1 106 LYS 6.176 0.320 17 0 "[ . 1 . 2]"
1 107 ILE 4.630 0.393 19 0 "[ . 1 . 2]"
1 108 ASN 0.037 0.037 16 0 "[ . 1 . 2]"
1 109 PRO 0.395 0.133 14 0 "[ . 1 . 2]"
1 110 GLU 6.652 0.841 20 4 "[ . ** - . +]"
1 111 ASN 1.838 0.249 9 0 "[ . 1 . 2]"
1 112 SER 1.129 0.278 2 0 "[ . 1 . 2]"
1 113 LYS 9.044 0.756 12 3 "[ . *- + . 2]"
1 114 LEU 11.760 0.823 1 7 "[+* ** *1 .* *2]"
1 115 SER 8.826 0.546 19 6 "[-* ** 1 .* +2]"
1 116 ASP 0.083 0.044 1 0 "[ . 1 . 2]"
1 117 LEU 9.151 0.708 8 7 "[ * * + 1*** . *2]"
1 118 ASP 0.283 0.147 15 0 "[ . 1 . 2]"
1 119 SER 3.332 0.351 3 0 "[ . 1 . 2]"
1 120 GLU 7.224 0.380 14 0 "[ . 1 . 2]"
1 121 THR 1.417 0.259 16 0 "[ . 1 . 2]"
1 122 ARG 1.068 0.268 16 0 "[ . 1 . 2]"
1 123 SER 0.481 0.268 16 0 "[ . 1 . 2]"
1 124 MET 2.538 0.442 4 0 "[ . 1 . 2]"
1 125 VAL 0.749 0.173 7 0 "[ . 1 . 2]"
1 126 SER 0.749 0.173 7 0 "[ . 1 . 2]"
1 127 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 129 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 130 SER 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 66 VAL H 1 67 GLU H . . 3.630 2.488 2.287 2.814 . 0 0 "[ . 1 . 2]" 1
2 1 65 LYS H 1 66 VAL H . . 4.750 4.369 4.211 4.485 . 0 0 "[ . 1 . 2]" 1
3 1 66 VAL H 1 66 VAL HB . . 3.390 3.418 2.770 3.567 0.177 10 0 "[ . 1 . 2]" 1
4 1 65 LYS HB2 1 66 VAL H . . 4.690 4.636 4.519 4.708 0.018 11 0 "[ . 1 . 2]" 1
5 1 91 TRP H 1 91 TRP HD1 . . 4.840 4.396 3.645 5.112 0.272 5 0 "[ . 1 . 2]" 1
6 1 90 GLU HA 1 91 TRP H . . 3.320 2.396 2.213 2.824 . 0 0 "[ . 1 . 2]" 1
7 1 91 TRP H 1 91 TRP HB3 . . 3.890 2.295 2.092 2.550 . 0 0 "[ . 1 . 2]" 1
8 1 91 TRP H 1 91 TRP HB2 . . 3.760 3.048 2.368 3.583 . 0 0 "[ . 1 . 2]" 1
9 1 71 TRP H 1 71 TRP HE1 . . 5.100 4.717 4.413 5.101 0.001 3 0 "[ . 1 . 2]" 1
10 1 38 VAL HB 1 71 TRP HE1 . . 3.740 3.075 2.706 3.436 . 0 0 "[ . 1 . 2]" 1
11 1 12 TRP H 1 12 TRP HE1 . . 5.240 5.093 4.881 5.265 0.025 20 0 "[ . 1 . 2]" 1
12 1 12 TRP HE1 1 95 LEU H . . 5.080 3.507 2.919 4.477 . 0 0 "[ . 1 . 2]" 1
13 1 12 TRP HE1 1 94 ARG HA . . 5.150 4.325 3.491 4.876 . 0 0 "[ . 1 . 2]" 1
14 1 12 TRP HE1 1 95 LEU HB3 . . 5.130 4.129 3.626 4.857 . 0 0 "[ . 1 . 2]" 1
15 1 12 TRP HE1 1 95 LEU QD . . 4.770 4.381 4.003 4.597 . 0 0 "[ . 1 . 2]" 1
16 1 12 TRP HE1 1 95 LEU HB2 . . 4.920 3.171 2.790 3.783 . 0 0 "[ . 1 . 2]" 1
17 1 74 GLU H 1 80 THR H . . 4.350 3.526 2.865 4.132 . 0 0 "[ . 1 . 2]" 1
18 1 74 GLU H 1 79 VAL HA . . 4.530 3.356 2.986 3.871 . 0 0 "[ . 1 . 2]" 1
19 1 14 GLN HE22 1 92 TRP H . . 4.280 2.898 1.908 4.122 . 0 0 "[ . 1 . 2]" 1
20 1 91 TRP HE3 1 92 TRP H . . 4.140 3.560 2.805 4.170 0.030 9 0 "[ . 1 . 2]" 1
21 1 16 LEU QD 1 92 TRP H . . 4.530 4.092 3.442 4.515 . 0 0 "[ . 1 . 2]" 1
22 1 14 GLN HE21 1 92 TRP H . . 4.040 3.294 2.013 4.099 0.059 7 0 "[ . 1 . 2]" 1
23 1 61 TYR QD 1 92 TRP HE1 . . 5.140 3.439 2.633 4.464 . 0 0 "[ . 1 . 2]" 1
24 1 90 GLU HG3 1 92 TRP HE1 . . 5.050 4.613 2.859 5.615 0.565 17 2 "[ -. 1 . + 2]" 1
25 1 85 LYS HD3 1 92 TRP HE1 . . 4.010 3.224 2.520 3.718 . 0 0 "[ . 1 . 2]" 1
26 1 85 LYS HD2 1 92 TRP HE1 . . 5.090 4.698 4.146 5.116 0.026 15 0 "[ . 1 . 2]" 1
27 1 85 LYS HE2 1 92 TRP HE1 . . 4.430 2.857 2.602 3.120 . 0 0 "[ . 1 . 2]" 1
28 1 85 LYS HG3 1 92 TRP HE1 . . 5.290 4.594 3.710 5.313 0.023 15 0 "[ . 1 . 2]" 1
29 1 78 VAL H 1 79 VAL H . . 5.240 4.524 4.456 4.636 . 0 0 "[ . 1 . 2]" 1
30 1 25 PHE QE 1 79 VAL H . . 4.570 4.040 3.348 4.490 . 0 0 "[ . 1 . 2]" 1
31 1 23 VAL HB 1 79 VAL H . . 4.080 3.395 3.014 3.767 . 0 0 "[ . 1 . 2]" 1
32 1 78 VAL QG 1 79 VAL H . . 3.240 2.751 2.147 3.199 . 0 0 "[ . 1 . 2]" 1
33 1 39 ASP H 1 40 ILE H . . 4.840 4.175 3.673 4.467 . 0 0 "[ . 1 . 2]" 1
34 1 40 ILE H 1 40 ILE HG12 . . 3.870 3.884 3.449 4.083 0.213 7 0 "[ . 1 . 2]" 1
35 1 40 ILE H 1 40 ILE MG . . 3.840 3.706 3.592 3.759 . 0 0 "[ . 1 . 2]" 1
36 1 70 SER H 1 82 HIS H . . 4.010 2.974 2.679 3.390 . 0 0 "[ . 1 . 2]" 1
37 1 82 HIS H 1 83 LEU H . . 5.020 4.108 3.948 4.312 . 0 0 "[ . 1 . 2]" 1
38 1 71 TRP HB2 1 82 HIS H . . 5.250 4.406 4.083 4.914 . 0 0 "[ . 1 . 2]" 1
39 1 81 VAL HB 1 82 HIS H . . 4.980 4.097 3.752 4.466 . 0 0 "[ . 1 . 2]" 1
40 1 82 HIS H 1 83 LEU QD . . 4.060 3.295 2.750 3.983 . 0 0 "[ . 1 . 2]" 1
41 1 81 VAL H 1 82 HIS H . . 5.230 4.392 4.181 4.471 . 0 0 "[ . 1 . 2]" 1
42 1 11 ARG H 1 22 ALA H . . 3.960 3.448 3.148 3.749 . 0 0 "[ . 1 . 2]" 1
43 1 12 TRP QB 1 22 ALA H . . 4.680 3.781 3.288 4.106 . 0 0 "[ . 1 . 2]" 1
44 1 39 ASP H 1 47 VAL MG2 . . 5.170 3.453 3.024 3.823 . 0 0 "[ . 1 . 2]" 1
45 1 38 VAL QG 1 39 ASP H . . 3.420 3.180 2.989 3.304 . 0 0 "[ . 1 . 2]" 1
46 1 30 ARG QB 1 31 LEU H . . 4.110 3.733 3.194 4.076 . 0 0 "[ . 1 . 2]" 1
47 1 30 ARG HG2 1 31 LEU H . . 4.520 4.591 3.297 5.195 0.675 8 4 "[ . -+ 1 . **]" 1
48 1 31 LEU H 1 31 LEU HG . . 3.500 2.945 2.476 3.837 0.337 3 0 "[ . 1 . 2]" 1
49 1 38 VAL H 1 47 VAL MG1 . . 5.260 5.157 4.768 5.301 0.041 15 0 "[ . 1 . 2]" 1
50 1 36 VAL QG 1 38 VAL H . . 5.080 3.470 2.867 4.229 . 0 0 "[ . 1 . 2]" 1
51 1 38 VAL H 1 39 ASP H . . 4.800 3.935 3.625 4.149 . 0 0 "[ . 1 . 2]" 1
52 1 38 VAL H 1 38 VAL HB . . 3.490 2.543 2.349 2.772 . 0 0 "[ . 1 . 2]" 1
53 1 25 PHE H 1 26 ARG H . . 4.480 4.441 4.353 4.541 0.061 11 0 "[ . 1 . 2]" 1
54 1 26 ARG H 1 27 VAL H . . 4.080 4.060 3.855 4.145 0.065 19 0 "[ . 1 . 2]" 1
55 1 25 PHE QD 1 26 ARG H . . 4.170 3.671 3.493 3.879 . 0 0 "[ . 1 . 2]" 1
56 1 25 PHE HA 1 26 ARG H . . 2.890 2.325 2.193 2.526 . 0 0 "[ . 1 . 2]" 1
57 1 26 ARG H 1 26 ARG QD . . 4.840 4.555 3.165 4.849 0.009 1 0 "[ . 1 . 2]" 1
58 1 25 PHE QB 1 26 ARG H . . 3.510 2.894 2.376 3.481 . 0 0 "[ . 1 . 2]" 1
59 1 26 ARG H 1 26 ARG QB . . 3.300 2.149 2.014 2.534 . 0 0 "[ . 1 . 2]" 1
60 1 26 ARG H 1 26 ARG HG2 . . 3.930 3.643 1.981 3.943 0.013 2 0 "[ . 1 . 2]" 1
61 1 26 ARG H 1 26 ARG HG3 . . 4.220 3.852 3.031 4.219 . 0 0 "[ . 1 . 2]" 1
62 1 26 ARG H 1 27 VAL MG2 . . 4.630 4.310 3.907 4.548 . 0 0 "[ . 1 . 2]" 1
63 1 44 HIS HB2 1 60 LEU H . . 5.120 4.406 3.795 4.896 . 0 0 "[ . 1 . 2]" 1
64 1 21 LEU H 1 22 ALA H . . 4.630 4.343 4.266 4.425 . 0 0 "[ . 1 . 2]" 1
65 1 21 LEU H 1 81 VAL H . . 3.850 2.707 2.567 2.953 . 0 0 "[ . 1 . 2]" 1
66 1 20 ASP H 1 21 LEU H . . 5.050 4.455 4.149 4.560 . 0 0 "[ . 1 . 2]" 1
67 1 21 LEU H 1 80 THR HA . . 5.060 4.336 4.196 4.446 . 0 0 "[ . 1 . 2]" 1
68 1 21 LEU H 1 21 LEU HG . . 4.810 4.543 4.090 4.927 0.117 10 0 "[ . 1 . 2]" 1
69 1 21 LEU H 1 80 THR MG . . 5.130 4.499 3.616 4.835 . 0 0 "[ . 1 . 2]" 1
70 1 21 LEU H 1 81 VAL MG1 . . 5.070 4.543 4.052 4.995 . 0 0 "[ . 1 . 2]" 1
71 1 21 LEU H 1 81 VAL MG2 . . 4.780 4.798 4.735 4.837 0.057 18 0 "[ . 1 . 2]" 1
72 1 21 LEU H 1 21 LEU QD . . 4.660 3.671 3.264 4.021 . 0 0 "[ . 1 . 2]" 1
73 1 60 LEU H 1 60 LEU QD . . 3.310 2.838 1.864 3.189 . 0 0 "[ . 1 . 2]" 1
74 1 85 LYS H 1 85 LYS HB3 . . 3.960 3.543 3.520 3.584 . 0 0 "[ . 1 . 2]" 1
75 1 85 LYS H 1 85 LYS HB2 . . 3.810 2.427 2.281 2.586 . 0 0 "[ . 1 . 2]" 1
76 1 85 LYS H 1 85 LYS HG2 . . 4.310 3.549 3.153 3.731 . 0 0 "[ . 1 . 2]" 1
77 1 85 LYS H 1 85 LYS HG3 . . 3.930 2.217 1.951 2.555 . 0 0 "[ . 1 . 2]" 1
78 1 39 ASP H 1 46 ARG H . . 3.770 3.094 2.778 3.504 . 0 0 "[ . 1 . 2]" 1
79 1 38 VAL HA 1 46 ARG H . . 5.230 4.547 4.281 4.813 . 0 0 "[ . 1 . 2]" 1
80 1 39 ASP HB2 1 46 ARG H . . 4.470 3.950 3.145 4.526 0.056 12 0 "[ . 1 . 2]" 1
81 1 46 ARG H 1 46 ARG HB3 . . 3.950 2.975 2.807 3.340 . 0 0 "[ . 1 . 2]" 1
82 1 45 LEU HG 1 46 ARG H . . 3.770 3.216 2.032 3.828 0.058 16 0 "[ . 1 . 2]" 1
83 1 45 LEU QD 1 46 ARG H . . 3.140 2.415 1.851 2.997 . 0 0 "[ . 1 . 2]" 1
84 1 38 VAL QG 1 46 ARG H . . 4.920 4.241 3.895 4.599 . 0 0 "[ . 1 . 2]" 1
85 1 45 LEU H 1 60 LEU H . . 4.010 3.900 3.455 4.189 0.179 14 0 "[ . 1 . 2]" 1
86 1 45 LEU H 1 57 ASP HA . . 4.850 4.219 3.880 4.580 . 0 0 "[ . 1 . 2]" 1
87 1 44 HIS HA 1 45 LEU H . . 3.120 2.240 2.187 2.441 . 0 0 "[ . 1 . 2]" 1
88 1 44 HIS HB2 1 45 LEU H . . 4.630 4.440 4.121 4.631 0.001 12 0 "[ . 1 . 2]" 1
89 1 44 HIS HB3 1 45 LEU H . . 4.720 3.806 3.318 4.127 . 0 0 "[ . 1 . 2]" 1
90 1 45 LEU H 1 46 ARG HB2 . . 4.810 4.823 4.667 4.928 0.118 14 0 "[ . 1 . 2]" 1
91 1 45 LEU H 1 45 LEU HB2 . . 3.710 2.990 2.854 3.235 . 0 0 "[ . 1 . 2]" 1
92 1 45 LEU H 1 45 LEU HB3 . . 3.640 2.726 2.381 3.026 . 0 0 "[ . 1 . 2]" 1
93 1 45 LEU H 1 45 LEU QD . . 4.180 3.851 3.750 3.939 . 0 0 "[ . 1 . 2]" 1
94 1 45 LEU H 1 56 VAL MG1 . . 4.330 4.255 3.787 4.431 0.101 19 0 "[ . 1 . 2]" 1
95 1 41 GLN H 1 44 HIS HB3 . . 5.270 3.946 3.653 4.305 . 0 0 "[ . 1 . 2]" 1
96 1 41 GLN H 1 41 GLN HB3 . . 4.000 3.353 2.204 3.637 . 0 0 "[ . 1 . 2]" 1
97 1 40 ILE HG13 1 41 GLN H . . 4.940 5.005 4.847 5.171 0.231 10 0 "[ . 1 . 2]" 1
98 1 87 ASN HB3 1 88 LYS H . . 4.990 3.550 2.220 4.378 . 0 0 "[ . 1 . 2]" 1
99 1 88 LYS H 1 89 MET QG . . 5.290 4.015 3.294 5.246 . 0 0 "[ . 1 . 2]" 1
100 1 88 LYS H 1 88 LYS QG . . 3.780 3.032 2.050 3.958 0.178 14 0 "[ . 1 . 2]" 1
101 1 23 VAL H 1 79 VAL H . . 4.010 2.827 2.616 3.142 . 0 0 "[ . 1 . 2]" 1
102 1 23 VAL H 1 24 PRO HD3 . . 5.280 3.911 3.801 4.043 . 0 0 "[ . 1 . 2]" 1
103 1 23 VAL H 1 79 VAL HB . . 4.400 3.479 3.256 3.637 . 0 0 "[ . 1 . 2]" 1
104 1 22 ALA MB 1 23 VAL H . . 3.780 3.225 3.008 3.370 . 0 0 "[ . 1 . 2]" 1
105 1 23 VAL H 1 80 THR MG . . 4.570 3.767 3.500 4.015 . 0 0 "[ . 1 . 2]" 1
106 1 23 VAL H 1 79 VAL MG1 . . 4.460 3.659 3.213 3.935 . 0 0 "[ . 1 . 2]" 1
107 1 82 HIS HB2 1 83 LEU H . . 5.280 4.407 4.072 4.593 . 0 0 "[ . 1 . 2]" 1
108 1 83 LEU H 1 83 LEU HB2 . . 3.900 2.495 2.298 2.667 . 0 0 "[ . 1 . 2]" 1
109 1 83 LEU H 1 83 LEU HG . . 4.020 3.652 2.652 4.084 0.064 16 0 "[ . 1 . 2]" 1
110 1 19 LEU HB3 1 83 LEU H . . 5.170 3.235 2.102 3.572 . 0 0 "[ . 1 . 2]" 1
111 1 19 LEU HB2 1 83 LEU H . . 5.040 3.323 2.494 3.832 . 0 0 "[ . 1 . 2]" 1
112 1 98 SER H 1 99 ASP H . . 4.340 3.976 2.157 4.309 . 0 0 "[ . 1 . 2]" 1
113 1 98 SER HB3 1 99 ASP H . . 5.060 4.114 3.186 4.576 . 0 0 "[ . 1 . 2]" 1
114 1 49 LEU H 1 50 LYS H . . 4.870 4.507 4.329 4.598 . 0 0 "[ . 1 . 2]" 1
115 1 37 VAL H 1 50 LYS H . . 4.200 3.790 3.375 4.050 . 0 0 "[ . 1 . 2]" 1
116 1 36 VAL H 1 50 LYS H . . 4.890 4.148 3.822 4.533 . 0 0 "[ . 1 . 2]" 1
117 1 35 ASP HA 1 50 LYS H . . 4.490 4.143 3.764 4.544 0.054 6 0 "[ . 1 . 2]" 1
118 1 35 ASP QB 1 50 LYS H . . 5.060 4.453 3.871 4.821 . 0 0 "[ . 1 . 2]" 1
119 1 36 VAL HB 1 50 LYS H . . 5.190 4.837 4.322 5.398 0.208 18 0 "[ . 1 . 2]" 1
120 1 50 LYS H 1 50 LYS HB3 . . 3.320 3.209 3.044 3.475 0.155 20 0 "[ . 1 . 2]" 1
121 1 50 LYS H 1 50 LYS HB2 . . 3.250 2.074 2.013 2.191 . 0 0 "[ . 1 . 2]" 1
122 1 49 LEU HB3 1 50 LYS H . . 3.760 3.300 3.096 3.657 . 0 0 "[ . 1 . 2]" 1
123 1 50 LYS H 1 50 LYS HG3 . . 3.810 3.566 2.890 3.871 0.061 10 0 "[ . 1 . 2]" 1
124 1 37 VAL QG 1 50 LYS H . . 3.710 2.500 1.984 3.084 . 0 0 "[ . 1 . 2]" 1
125 1 36 VAL QG 1 50 LYS H . . 4.440 3.915 3.606 4.119 . 0 0 "[ . 1 . 2]" 1
126 1 37 VAL H 1 38 VAL H . . 4.620 3.962 3.803 4.215 . 0 0 "[ . 1 . 2]" 1
127 1 37 VAL H 1 47 VAL HA . . 5.170 4.514 4.321 4.838 . 0 0 "[ . 1 . 2]" 1
128 1 37 VAL H 1 47 VAL MG1 . . 5.010 4.007 3.335 4.449 . 0 0 "[ . 1 . 2]" 1
129 1 46 ARG H 1 47 VAL H . . 4.920 4.058 3.609 4.339 . 0 0 "[ . 1 . 2]" 1
130 1 47 VAL H 1 56 VAL HA . . 5.190 4.273 4.116 4.582 . 0 0 "[ . 1 . 2]" 1
131 1 47 VAL H 1 54 PRO HB2 . . 4.090 3.426 3.162 3.846 . 0 0 "[ . 1 . 2]" 1
132 1 47 VAL H 1 47 VAL HB . . 3.710 2.578 2.399 2.743 . 0 0 "[ . 1 . 2]" 1
133 1 47 VAL H 1 56 VAL HB . . 3.650 2.153 1.926 2.719 . 0 0 "[ . 1 . 2]" 1
134 1 47 VAL H 1 47 VAL MG1 . . 4.290 3.800 3.722 3.895 . 0 0 "[ . 1 . 2]" 1
135 1 122 ARG H 1 122 ARG HB3 . . 3.720 3.432 2.518 3.885 0.165 4 0 "[ . 1 . 2]" 1
136 1 122 ARG H 1 122 ARG QG . . 3.980 3.589 1.952 3.987 0.007 13 0 "[ . 1 . 2]" 1
137 1 121 THR MG 1 122 ARG H . . 4.600 3.294 1.962 3.995 . 0 0 "[ . 1 . 2]" 1
138 1 104 THR HA 1 105 LYS H . . 2.820 2.501 2.151 2.839 0.019 16 0 "[ . 1 . 2]" 1
139 1 105 LYS H 1 105 LYS HB2 . . 3.630 3.112 2.192 3.663 0.033 11 0 "[ . 1 . 2]" 1
140 1 105 LYS H 1 105 LYS HB3 . . 3.380 3.079 2.359 3.689 0.309 15 0 "[ . 1 . 2]" 1
141 1 105 LYS H 1 105 LYS QG . . 4.110 3.331 1.954 3.949 . 0 0 "[ . 1 . 2]" 1
142 1 104 THR MG 1 105 LYS H . . 4.380 3.555 2.150 4.319 . 0 0 "[ . 1 . 2]" 1
143 1 78 VAL QG 1 80 THR H . . 4.410 3.940 3.497 4.439 0.029 3 0 "[ . 1 . 2]" 1
144 1 80 THR H 1 81 VAL H . . 4.710 4.519 4.391 4.589 . 0 0 "[ . 1 . 2]" 1
145 1 79 VAL H 1 80 THR H . . 5.200 4.414 4.247 4.546 . 0 0 "[ . 1 . 2]" 1
146 1 71 TRP HE3 1 80 THR H . . 5.260 3.779 3.375 4.292 . 0 0 "[ . 1 . 2]" 1
147 1 79 VAL HA 1 80 THR H . . 3.130 2.195 2.182 2.247 . 0 0 "[ . 1 . 2]" 1
148 1 79 VAL HB 1 80 THR H . . 4.730 4.465 4.280 4.597 . 0 0 "[ . 1 . 2]" 1
149 1 20 ASP HA 1 81 VAL H . . 5.140 4.697 4.547 4.962 . 0 0 "[ . 1 . 2]" 1
150 1 22 ALA MB 1 81 VAL H . . 5.120 4.293 4.107 4.522 . 0 0 "[ . 1 . 2]" 1
151 1 21 LEU QD 1 81 VAL H . . 4.850 2.947 2.041 3.867 . 0 0 "[ . 1 . 2]" 1
152 1 21 LEU HG 1 81 VAL H . . 4.980 3.974 3.073 4.935 . 0 0 "[ . 1 . 2]" 1
153 1 112 SER HB2 1 113 LYS H . . 4.460 4.008 2.278 4.738 0.278 2 0 "[ . 1 . 2]" 1
154 1 113 LYS H 1 113 LYS QD . . 5.110 4.361 3.238 4.948 . 0 0 "[ . 1 . 2]" 1
155 1 113 LYS H 1 113 LYS HG2 . . 4.300 3.821 2.722 5.056 0.756 12 2 "[ . -1 + . 2]" 1
156 1 113 LYS H 1 113 LYS HB3 . . 3.510 3.582 2.463 4.026 0.516 10 1 "[ . + . 2]" 1
157 1 106 LYS H 1 106 LYS HA . . 2.880 2.723 2.206 2.923 0.043 16 0 "[ . 1 . 2]" 1
158 1 113 LYS HB2 1 114 LEU H . . 4.470 3.626 2.731 4.449 . 0 0 "[ . 1 . 2]" 1
159 1 106 LYS H 1 106 LYS HB2 . . 3.570 2.596 2.016 3.255 . 0 0 "[ . 1 . 2]" 1
160 1 106 LYS H 1 106 LYS HB3 . . 3.280 3.218 2.182 3.584 0.304 13 0 "[ . 1 . 2]" 1
161 1 105 LYS QG 1 106 LYS H . . 4.160 3.220 1.857 3.977 . 0 0 "[ . 1 . 2]" 1
162 1 114 LEU H 1 114 LEU MD1 . . 4.980 3.784 2.078 4.596 . 0 0 "[ . 1 . 2]" 1
163 1 114 LEU H 1 114 LEU MD2 . . 4.890 4.013 1.930 4.695 . 0 0 "[ . 1 . 2]" 1
164 1 65 LYS H 1 84 GLU H . . 5.050 3.822 3.281 4.316 . 0 0 "[ . 1 . 2]" 1
165 1 103 ASN H 1 104 THR MG . . 4.650 3.771 1.969 4.583 . 0 0 "[ . 1 . 2]" 1
166 1 103 ASN H 1 103 ASN HD21 . . 4.950 4.201 2.363 4.965 0.015 19 0 "[ . 1 . 2]" 1
167 1 103 ASN H 1 103 ASN HB2 . . 3.590 3.060 2.039 3.639 0.049 19 0 "[ . 1 . 2]" 1
168 1 103 ASN H 1 103 ASN HB3 . . 3.490 3.202 2.528 3.596 0.106 9 0 "[ . 1 . 2]" 1
169 1 102 ILE HB 1 103 ASN H . . 3.660 3.507 2.868 3.710 0.050 2 0 "[ . 1 . 2]" 1
170 1 102 ILE QG 1 103 ASN H . . 4.780 4.096 3.819 4.334 . 0 0 "[ . 1 . 2]" 1
171 1 124 MET H 1 124 MET HG3 . . 4.780 4.633 2.325 5.222 0.442 4 0 "[ . 1 . 2]" 1
172 1 107 ILE H 1 107 ILE HB . . 3.410 2.830 2.344 3.537 0.127 16 0 "[ . 1 . 2]" 1
173 1 107 ILE H 1 107 ILE HG12 . . 3.950 3.068 2.158 3.997 0.047 13 0 "[ . 1 . 2]" 1
174 1 64 VAL HB 1 84 GLU H . . 4.690 2.564 2.306 3.098 . 0 0 "[ . 1 . 2]" 1
175 1 83 LEU HB3 1 84 GLU H . . 4.380 2.744 1.980 3.223 . 0 0 "[ . 1 . 2]" 1
176 1 64 VAL MG2 1 84 GLU H . . 4.970 3.840 3.639 4.106 . 0 0 "[ . 1 . 2]" 1
177 1 32 LYS H 1 33 GLY H . . 5.020 4.294 2.185 4.609 . 0 0 "[ . 1 . 2]" 1
178 1 31 LEU H 1 32 LYS H . . 5.040 4.589 4.464 4.654 . 0 0 "[ . 1 . 2]" 1
179 1 32 LYS H 1 35 ASP H . . 4.560 3.780 3.439 4.399 . 0 0 "[ . 1 . 2]" 1
180 1 32 LYS H 1 35 ASP QB . . 3.700 2.957 1.919 3.706 0.006 6 0 "[ . 1 . 2]" 1
181 1 32 LYS H 1 32 LYS QB . . 3.770 2.316 2.137 2.544 . 0 0 "[ . 1 . 2]" 1
182 1 31 LEU HB2 1 32 LYS H . . 4.420 4.381 4.189 4.513 0.093 18 0 "[ . 1 . 2]" 1
183 1 119 SER HB2 1 120 GLU H . . 4.360 4.021 2.037 4.711 0.351 3 0 "[ . 1 . 2]" 1
184 1 120 GLU H 1 120 GLU HG2 . . 4.370 3.710 2.134 4.518 0.148 17 0 "[ . 1 . 2]" 1
185 1 120 GLU H 1 120 GLU HG3 . . 4.460 3.794 2.117 4.458 . 0 0 "[ . 1 . 2]" 1
186 1 120 GLU H 1 120 GLU HB2 . . 3.880 3.310 2.141 3.913 0.033 16 0 "[ . 1 . 2]" 1
187 1 120 GLU H 1 120 GLU HB3 . . 3.500 3.271 2.530 3.880 0.380 14 0 "[ . 1 . 2]" 1
188 1 29 PHE QE 1 32 LYS H . . 5.140 4.993 3.943 5.152 0.012 18 0 "[ . 1 . 2]" 1
189 1 101 GLU HG3 1 102 ILE H . . 4.990 3.786 1.944 4.783 . 0 0 "[ . 1 . 2]" 1
190 1 102 ILE H 1 102 ILE MG . . 3.880 3.707 2.362 4.041 0.161 2 0 "[ . 1 . 2]" 1
191 1 116 ASP HB2 1 117 LEU H . . 4.890 4.648 4.409 4.731 . 0 0 "[ . 1 . 2]" 1
192 1 116 ASP HB3 1 117 LEU H . . 4.330 4.194 4.040 4.374 0.044 1 0 "[ . 1 . 2]" 1
193 1 117 LEU H 1 117 LEU HB2 . . 3.100 2.967 2.076 3.744 0.644 2 4 "[ + . - 1** . 2]" 1
194 1 117 LEU H 1 117 LEU MD1 . . 4.590 3.635 2.018 4.408 . 0 0 "[ . 1 . 2]" 1
195 1 117 LEU H 1 117 LEU MD2 . . 5.040 3.649 1.879 4.485 . 0 0 "[ . 1 . 2]" 1
196 1 115 SER HA 1 117 LEU H . . 4.870 4.760 4.107 4.886 0.016 3 0 "[ . 1 . 2]" 1
197 1 115 SER QB 1 117 LEU H . . 4.970 4.513 2.392 4.806 . 0 0 "[ . 1 . 2]" 1
198 1 59 GLU H 1 60 LEU H . . 4.980 4.489 4.252 4.645 . 0 0 "[ . 1 . 2]" 1
199 1 16 LEU H 1 91 TRP HE3 . . 5.220 3.674 3.204 4.218 . 0 0 "[ . 1 . 2]" 1
200 1 65 LYS H 1 65 LYS HG3 . . 4.580 4.209 4.043 4.334 . 0 0 "[ . 1 . 2]" 1
201 1 65 LYS H 1 86 ILE MD . . 3.960 2.599 2.172 3.546 . 0 0 "[ . 1 . 2]" 1
202 1 100 PRO HD3 1 101 GLU H . . 4.990 4.288 3.854 5.298 0.308 9 0 "[ . 1 . 2]" 1
203 1 100 PRO HB2 1 101 GLU H . . 3.540 2.148 1.571 2.702 . 0 0 "[ . 1 . 2]" 1
204 1 100 PRO QG 1 101 GLU H . . 3.320 2.376 2.172 3.364 0.044 9 0 "[ . 1 . 2]" 1
205 1 101 GLU H 1 101 GLU QB . . 3.130 2.649 2.345 3.137 0.007 3 0 "[ . 1 . 2]" 1
206 1 125 VAL H 1 126 SER H . . 3.970 3.971 3.686 4.143 0.173 7 0 "[ . 1 . 2]" 1
207 1 90 GLU H 1 91 TRP H . . 5.040 4.326 3.777 4.658 . 0 0 "[ . 1 . 2]" 1
208 1 90 GLU H 1 90 GLU HG2 . . 4.410 3.885 1.987 5.052 0.642 13 3 "[* . -1 + . 2]" 1
209 1 89 MET HB3 1 90 GLU H . . 4.580 4.256 2.629 4.719 0.139 1 0 "[ . 1 . 2]" 1
210 1 90 GLU H 1 90 GLU HB3 . . 3.770 2.816 2.334 3.690 . 0 0 "[ . 1 . 2]" 1
211 1 88 LYS HA 1 90 GLU H . . 4.510 3.980 3.432 4.516 0.006 15 0 "[ . 1 . 2]" 1
212 1 90 GLU H 1 90 GLU HB2 . . 3.780 3.463 2.795 3.890 0.110 15 0 "[ . 1 . 2]" 1
213 1 49 LEU H 1 52 GLN QB . . 4.570 2.980 2.688 3.763 . 0 0 "[ . 1 . 2]" 1
214 1 48 GLY H 1 49 LEU H . . 4.800 4.225 3.427 4.396 . 0 0 "[ . 1 . 2]" 1
215 1 49 LEU H 1 55 VAL H . . 5.180 4.580 4.259 4.940 . 0 0 "[ . 1 . 2]" 1
216 1 25 PHE HZ 1 49 LEU H . . 4.840 4.026 3.059 4.757 . 0 0 "[ . 1 . 2]" 1
217 1 48 GLY QA 1 49 LEU H . . 3.290 2.305 2.261 2.333 . 0 0 "[ . 1 . 2]" 1
218 1 49 LEU H 1 49 LEU HB2 . . 3.650 2.421 2.213 2.707 . 0 0 "[ . 1 . 2]" 1
219 1 49 LEU H 1 49 LEU HG . . 3.730 3.087 2.004 3.844 0.114 10 0 "[ . 1 . 2]" 1
220 1 49 LEU H 1 49 LEU QD . . 3.870 2.976 1.800 3.651 . 0 0 "[ . 1 . 2]" 1
221 1 41 GLN H 1 44 HIS H . . 3.800 3.520 3.282 3.672 . 0 0 "[ . 1 . 2]" 1
222 1 42 ARG H 1 44 HIS H . . 4.380 4.299 3.932 4.428 0.048 15 0 "[ . 1 . 2]" 1
223 1 43 ARG H 1 44 HIS H . . 3.110 2.876 2.626 3.014 . 0 0 "[ . 1 . 2]" 1
224 1 44 HIS H 1 45 LEU H . . 4.490 4.073 3.758 4.320 . 0 0 "[ . 1 . 2]" 1
225 1 44 HIS H 1 60 LEU H . . 4.500 3.716 3.348 4.032 . 0 0 "[ . 1 . 2]" 1
226 1 43 ARG HA 1 44 HIS H . . 3.610 2.726 2.651 2.958 . 0 0 "[ . 1 . 2]" 1
227 1 44 HIS H 1 59 GLU HA . . 4.960 4.733 4.269 4.992 0.032 15 0 "[ . 1 . 2]" 1
228 1 44 HIS H 1 44 HIS HB2 . . 3.890 3.190 3.000 3.398 . 0 0 "[ . 1 . 2]" 1
229 1 44 HIS H 1 44 HIS HB3 . . 3.890 3.409 3.266 3.557 . 0 0 "[ . 1 . 2]" 1
230 1 41 GLN HB2 1 44 HIS H . . 3.990 3.264 2.804 4.249 0.259 8 0 "[ . 1 . 2]" 1
231 1 43 ARG HB3 1 44 HIS H . . 4.690 4.346 4.202 4.400 . 0 0 "[ . 1 . 2]" 1
232 1 41 GLN HB3 1 44 HIS H . . 3.630 3.381 2.838 3.729 0.099 13 0 "[ . 1 . 2]" 1
233 1 43 ARG HG3 1 44 HIS H . . 5.020 4.847 4.552 5.064 0.044 8 0 "[ . 1 . 2]" 1
234 1 44 HIS H 1 60 LEU HG . . 4.460 3.271 2.762 3.573 . 0 0 "[ . 1 . 2]" 1
235 1 44 HIS H 1 60 LEU QD . . 3.430 2.125 1.910 2.766 . 0 0 "[ . 1 . 2]" 1
236 1 61 TYR H 1 92 TRP HE3 . . 4.820 3.521 2.819 4.050 . 0 0 "[ . 1 . 2]" 1
237 1 61 TYR H 1 92 TRP HZ3 . . 3.990 2.882 2.335 3.352 . 0 0 "[ . 1 . 2]" 1
238 1 61 TYR H 1 61 TYR QD . . 4.640 4.042 3.956 4.070 . 0 0 "[ . 1 . 2]" 1
239 1 60 LEU HB2 1 61 TYR H . . 4.710 3.833 3.683 4.207 . 0 0 "[ . 1 . 2]" 1
240 1 61 TYR H 1 97 THR MG . . 4.790 3.656 2.650 4.336 . 0 0 "[ . 1 . 2]" 1
241 1 117 LEU HB3 1 118 ASP H . . 4.860 3.492 2.165 4.614 . 0 0 "[ . 1 . 2]" 1
242 1 117 LEU HB2 1 118 ASP H . . 5.010 3.513 2.645 4.539 . 0 0 "[ . 1 . 2]" 1
243 1 14 GLN HA 1 20 ASP H . . 5.190 2.995 2.759 3.618 . 0 0 "[ . 1 . 2]" 1
244 1 19 LEU HB3 1 20 ASP H . . 5.050 3.445 2.584 3.731 . 0 0 "[ . 1 . 2]" 1
245 1 19 LEU HB2 1 20 ASP H . . 5.330 4.453 3.969 4.591 . 0 0 "[ . 1 . 2]" 1
246 1 71 TRP HE3 1 73 ILE H . . 5.140 4.669 4.223 4.993 . 0 0 "[ . 1 . 2]" 1
247 1 72 LEU H 1 80 THR H . . 3.810 2.905 2.574 3.204 . 0 0 "[ . 1 . 2]" 1
248 1 72 LEU H 1 73 ILE H . . 4.680 4.349 4.254 4.375 . 0 0 "[ . 1 . 2]" 1
249 1 71 TRP H 1 72 LEU H . . 5.100 4.412 4.264 4.504 . 0 0 "[ . 1 . 2]" 1
250 1 71 TRP HE3 1 72 LEU H . . 3.910 2.838 2.498 3.082 . 0 0 "[ . 1 . 2]" 1
251 1 72 LEU H 1 81 VAL HA . . 4.360 3.646 3.337 3.955 . 0 0 "[ . 1 . 2]" 1
252 1 72 LEU H 1 79 VAL HA . . 4.780 4.570 4.135 4.819 0.039 13 0 "[ . 1 . 2]" 1
253 1 72 LEU H 1 80 THR HB . . 5.130 3.941 3.239 4.371 . 0 0 "[ . 1 . 2]" 1
254 1 71 TRP HB2 1 72 LEU H . . 3.610 2.654 2.455 2.860 . 0 0 "[ . 1 . 2]" 1
255 1 71 TRP HB3 1 72 LEU H . . 3.960 3.972 3.868 4.078 0.118 19 0 "[ . 1 . 2]" 1
256 1 72 LEU H 1 72 LEU HB2 . . 4.170 3.994 3.944 4.084 . 0 0 "[ . 1 . 2]" 1
257 1 72 LEU H 1 72 LEU HG . . 4.060 3.372 2.620 4.176 0.116 19 0 "[ . 1 . 2]" 1
258 1 72 LEU H 1 79 VAL MG1 . . 4.060 3.743 3.184 4.086 0.026 19 0 "[ . 1 . 2]" 1
259 1 72 LEU H 1 72 LEU QD . . 4.010 2.885 1.781 3.621 . 0 0 "[ . 1 . 2]" 1
260 1 38 VAL QG 1 72 LEU H . . 5.040 4.404 4.068 4.590 . 0 0 "[ . 1 . 2]" 1
261 1 109 PRO HD2 1 110 GLU H . . 4.310 2.558 2.265 4.001 . 0 0 "[ . 1 . 2]" 1
262 1 110 GLU H 1 110 GLU HG3 . . 4.120 3.952 2.980 4.961 0.841 20 4 "[ . ** - . +]" 1
263 1 110 GLU H 1 110 GLU HB3 . . 3.800 3.664 2.884 3.891 0.091 19 0 "[ . 1 . 2]" 1
264 1 110 GLU H 1 110 GLU HB2 . . 3.450 3.063 2.215 3.804 0.354 5 0 "[ . 1 . 2]" 1
265 1 73 ILE H 1 74 GLU H . . 4.740 4.293 4.139 4.492 . 0 0 "[ . 1 . 2]" 1
266 1 71 TRP HZ3 1 73 ILE H . . 5.180 4.622 3.947 5.001 . 0 0 "[ . 1 . 2]" 1
267 1 73 ILE H 1 73 ILE HB . . 3.240 2.572 2.375 2.716 . 0 0 "[ . 1 . 2]" 1
268 1 72 LEU HG 1 73 ILE H . . 4.400 3.881 3.017 4.463 0.063 13 0 "[ . 1 . 2]" 1
269 1 72 LEU QD 1 73 ILE H . . 3.770 2.535 2.015 3.393 . 0 0 "[ . 1 . 2]" 1
270 1 73 ILE H 1 73 ILE MD . . 3.860 3.477 2.478 3.989 0.129 13 0 "[ . 1 . 2]" 1
271 1 74 GLU H 1 78 VAL H . . 3.980 3.577 3.270 3.834 . 0 0 "[ . 1 . 2]" 1
272 1 73 ILE HA 1 78 VAL H . . 4.980 4.698 4.374 4.995 0.015 4 0 "[ . 1 . 2]" 1
273 1 78 VAL H 1 78 VAL HB . . 4.100 3.198 2.363 3.786 . 0 0 "[ . 1 . 2]" 1
274 1 77 LYS HB2 1 78 VAL H . . 4.370 3.634 3.369 3.896 . 0 0 "[ . 1 . 2]" 1
275 1 77 LYS HB3 1 78 VAL H . . 4.270 4.083 3.846 4.171 . 0 0 "[ . 1 . 2]" 1
276 1 78 VAL H 1 78 VAL QG . . 3.240 2.162 2.006 2.400 . 0 0 "[ . 1 . 2]" 1
277 1 12 TRP HZ2 1 95 LEU H . . 4.400 2.795 2.296 3.923 . 0 0 "[ . 1 . 2]" 1
278 1 94 ARG H 1 95 LEU H . . 4.820 4.134 3.819 4.381 . 0 0 "[ . 1 . 2]" 1
279 1 95 LEU H 1 96 VAL H . . 3.620 2.825 2.046 3.233 . 0 0 "[ . 1 . 2]" 1
280 1 95 LEU H 1 95 LEU HB3 . . 3.760 2.617 2.321 2.880 . 0 0 "[ . 1 . 2]" 1
281 1 95 LEU H 1 96 VAL QG . . 5.200 3.977 3.516 4.295 . 0 0 "[ . 1 . 2]" 1
282 1 95 LEU H 1 95 LEU HB2 . . 3.900 2.366 2.130 2.842 . 0 0 "[ . 1 . 2]" 1
283 1 12 TRP H 1 12 TRP HD1 . . 3.690 3.320 3.004 3.578 . 0 0 "[ . 1 . 2]" 1
284 1 10 TYR QD 1 12 TRP H . . 4.860 4.401 3.973 4.843 . 0 0 "[ . 1 . 2]" 1
285 1 11 ARG HB3 1 12 TRP H . . 4.010 3.584 2.873 4.108 0.098 7 0 "[ . 1 . 2]" 1
286 1 11 ARG HG2 1 12 TRP H . . 4.640 4.653 4.098 5.332 0.692 2 3 "[ + - 1 * . 2]" 1
287 1 12 TRP H 1 13 THR MG . . 5.100 3.336 3.068 4.860 . 0 0 "[ . 1 . 2]" 1
288 1 29 PHE H 1 30 ARG H . . 4.960 4.440 4.393 4.497 . 0 0 "[ . 1 . 2]" 1
289 1 25 PHE H 1 79 VAL H . . 4.710 4.565 3.960 4.740 0.030 16 0 "[ . 1 . 2]" 1
290 1 25 PHE H 1 25 PHE QB . . 3.400 2.416 2.202 2.584 . 0 0 "[ . 1 . 2]" 1
291 1 24 PRO HB3 1 25 PHE H . . 4.010 3.709 3.502 4.092 0.082 19 0 "[ . 1 . 2]" 1
292 1 25 PHE H 1 31 LEU QD . . 4.780 4.273 3.757 4.754 . 0 0 "[ . 1 . 2]" 1
293 1 25 PHE H 1 27 VAL MG2 . . 4.990 3.995 3.656 4.501 . 0 0 "[ . 1 . 2]" 1
294 1 125 VAL HB 1 126 SER H . . 4.480 3.806 1.915 4.488 0.008 2 0 "[ . 1 . 2]" 1
295 1 125 VAL QG 1 126 SER H . . 4.130 2.467 1.664 3.255 . 0 0 "[ . 1 . 2]" 1
296 1 65 LYS H 1 86 ILE H . . 4.830 3.872 2.959 4.484 . 0 0 "[ . 1 . 2]" 1
297 1 85 LYS HB3 1 86 ILE H . . 4.190 2.940 2.604 3.439 . 0 0 "[ . 1 . 2]" 1
298 1 19 LEU H 1 83 LEU H . . 3.940 3.089 2.793 3.435 . 0 0 "[ . 1 . 2]" 1
299 1 19 LEU H 1 85 LYS H . . 4.960 4.383 4.042 4.781 . 0 0 "[ . 1 . 2]" 1
300 1 18 GLU H 1 19 LEU H . . 4.940 4.570 4.511 4.629 . 0 0 "[ . 1 . 2]" 1
301 1 19 LEU H 1 82 HIS HA . . 5.220 4.425 4.065 4.920 . 0 0 "[ . 1 . 2]" 1
302 1 18 GLU HG2 1 19 LEU H . . 5.050 4.619 3.937 5.044 . 0 0 "[ . 1 . 2]" 1
303 1 18 GLU HG3 1 19 LEU H . . 4.870 4.525 4.007 4.974 0.104 7 0 "[ . 1 . 2]" 1
304 1 18 GLU HB2 1 19 LEU H . . 3.980 3.094 2.317 3.975 . 0 0 "[ . 1 . 2]" 1
305 1 18 GLU HB3 1 19 LEU H . . 3.730 3.343 2.531 3.984 0.254 6 0 "[ . 1 . 2]" 1
306 1 19 LEU H 1 83 LEU HB2 . . 4.460 3.457 2.846 3.716 . 0 0 "[ . 1 . 2]" 1
307 1 19 LEU H 1 83 LEU HB3 . . 4.780 4.551 3.742 4.932 0.152 19 0 "[ . 1 . 2]" 1
308 1 29 PHE HB2 1 30 ARG H . . 3.600 2.362 2.080 2.546 . 0 0 "[ . 1 . 2]" 1
309 1 30 ARG H 1 30 ARG HG3 . . 4.450 3.712 3.334 4.597 0.147 16 0 "[ . 1 . 2]" 1
310 1 111 ASN H 1 112 SER HA . . 4.860 4.721 4.125 4.873 0.013 13 0 "[ . 1 . 2]" 1
311 1 110 GLU HB3 1 111 ASN H . . 4.360 3.836 1.936 4.609 0.249 9 0 "[ . 1 . 2]" 1
312 1 10 TYR HB2 1 11 ARG H . . 3.660 2.647 2.461 2.798 . 0 0 "[ . 1 . 2]" 1
313 1 9 ASN H 1 9 ASN HD21 . . 5.180 4.478 2.572 5.187 0.007 1 0 "[ . 1 . 2]" 1
314 1 9 ASN H 1 10 TYR QD . . 4.700 3.433 2.720 4.538 . 0 0 "[ . 1 . 2]" 1
315 1 8 PRO QD 1 9 ASN H . . 4.690 4.566 2.250 4.699 0.009 13 0 "[ . 1 . 2]" 1
316 1 9 ASN H 1 9 ASN HB3 . . 4.170 3.464 2.699 3.981 . 0 0 "[ . 1 . 2]" 1
317 1 8 PRO HG3 1 9 ASN H . . 4.830 4.655 4.219 4.693 . 0 0 "[ . 1 . 2]" 1
318 1 34 LYS H 1 35 ASP H . . 4.070 2.041 1.806 2.543 . 0 0 "[ . 1 . 2]" 1
319 1 33 GLY HA2 1 35 ASP H . . 5.320 4.028 3.365 4.674 . 0 0 "[ . 1 . 2]" 1
320 1 2 SER QB 1 3 SER H . . 4.200 2.982 2.130 4.080 . 0 0 "[ . 1 . 2]" 1
321 1 92 TRP H 1 93 ASN H . . 5.010 4.574 4.271 4.665 . 0 0 "[ . 1 . 2]" 1
322 1 61 TYR QD 1 93 ASN H . . 4.530 3.084 2.479 3.893 . 0 0 "[ . 1 . 2]" 1
323 1 92 TRP HB2 1 93 ASN H . . 4.450 4.066 3.218 4.532 0.082 8 0 "[ . 1 . 2]" 1
324 1 5 SER HA 1 6 SER H . . 3.250 2.409 2.215 2.800 . 0 0 "[ . 1 . 2]" 1
325 1 6 SER H 1 6 SER QB . . 3.670 2.738 2.094 3.420 . 0 0 "[ . 1 . 2]" 1
326 1 129 SER HA 1 130 SER H . . 3.610 2.520 2.226 2.679 . 0 0 "[ . 1 . 2]" 1
327 1 129 SER QB 1 130 SER H . . 4.840 2.692 2.110 3.519 . 0 0 "[ . 1 . 2]" 1
328 1 47 VAL H 1 56 VAL H . . 3.740 2.736 2.478 3.125 . 0 0 "[ . 1 . 2]" 1
329 1 56 VAL H 1 57 ASP H . . 4.720 4.359 4.084 4.481 . 0 0 "[ . 1 . 2]" 1
330 1 55 VAL H 1 56 VAL H . . 3.190 2.604 2.232 2.746 . 0 0 "[ . 1 . 2]" 1
331 1 46 ARG HA 1 56 VAL H . . 4.900 4.390 4.149 4.724 . 0 0 "[ . 1 . 2]" 1
332 1 48 GLY QA 1 56 VAL H . . 4.730 4.049 3.858 4.235 . 0 0 "[ . 1 . 2]" 1
333 1 55 VAL HB 1 56 VAL H . . 3.540 3.204 2.726 4.350 0.810 10 5 "[ . +* . *-*2]" 1
334 1 47 VAL HB 1 56 VAL H . . 4.050 3.158 2.848 3.532 . 0 0 "[ . 1 . 2]" 1
335 1 56 VAL H 1 56 VAL HB . . 3.610 2.679 2.538 2.985 . 0 0 "[ . 1 . 2]" 1
336 1 49 LEU H 1 52 GLN H . . 5.240 4.398 3.916 5.061 . 0 0 "[ . 1 . 2]" 1
337 1 51 GLY H 1 52 GLN H . . 3.300 3.171 2.760 3.337 0.037 10 0 "[ . 1 . 2]" 1
338 1 50 LYS HA 1 52 GLN H . . 3.780 3.764 3.558 3.873 0.093 13 0 "[ . 1 . 2]" 1
339 1 52 GLN H 1 52 GLN QB . . 3.350 2.117 2.058 2.384 . 0 0 "[ . 1 . 2]" 1
340 1 28 SER H 1 29 PHE H . . 3.270 2.217 1.910 2.398 . 0 0 "[ . 1 . 2]" 1
341 1 29 PHE H 1 29 PHE QE . . 4.330 4.016 3.657 4.142 . 0 0 "[ . 1 . 2]" 1
342 1 27 VAL HA 1 29 PHE H . . 4.250 3.933 3.785 4.135 . 0 0 "[ . 1 . 2]" 1
343 1 29 PHE H 1 30 ARG HA . . 5.120 4.836 4.729 4.966 . 0 0 "[ . 1 . 2]" 1
344 1 29 PHE H 1 29 PHE HB3 . . 3.920 3.316 3.133 3.439 . 0 0 "[ . 1 . 2]" 1
345 1 27 VAL HB 1 29 PHE H . . 3.400 2.237 2.159 2.308 . 0 0 "[ . 1 . 2]" 1
346 1 42 ARG H 1 42 ARG HD3 . . 4.930 4.245 3.810 5.676 0.746 18 1 "[ . 1 . + 2]" 1
347 1 41 GLN HB2 1 42 ARG H . . 3.390 3.701 3.398 3.880 0.490 19 0 "[ . 1 . 2]" 1
348 1 42 ARG H 1 42 ARG HB2 . . 3.230 2.395 2.202 2.646 . 0 0 "[ . 1 . 2]" 1
349 1 42 ARG H 1 42 ARG HB3 . . 3.410 2.577 2.385 2.826 . 0 0 "[ . 1 . 2]" 1
350 1 41 GLN HB3 1 42 ARG H . . 3.820 2.434 1.925 4.144 0.324 11 0 "[ . 1 . 2]" 1
351 1 67 GLU H 1 69 SER H . . 4.870 3.992 3.627 4.775 . 0 0 "[ . 1 . 2]" 1
352 1 69 SER H 1 69 SER HG . . 3.900 2.991 2.259 3.937 0.037 10 0 "[ . 1 . 2]" 1
353 1 68 GLU HB3 1 69 SER H . . 4.590 4.307 4.043 4.520 . 0 0 "[ . 1 . 2]" 1
354 1 40 ILE MG 1 69 SER H . . 4.600 4.034 3.727 4.594 . 0 0 "[ . 1 . 2]" 1
355 1 68 GLU HB2 1 69 SER H . . 4.970 3.720 3.162 4.416 . 0 0 "[ . 1 . 2]" 1
356 1 66 VAL QG 1 69 SER H . . 4.950 4.177 3.993 4.520 . 0 0 "[ . 1 . 2]" 1
357 1 86 ILE HG13 1 87 ASN H . . 5.250 5.030 4.638 5.290 0.040 5 0 "[ . 1 . 2]" 1
358 1 86 ILE H 1 87 ASN H . . 3.710 2.519 2.196 3.030 . 0 0 "[ . 1 . 2]" 1
359 1 85 LYS HB3 1 87 ASN H . . 4.410 2.940 2.588 3.560 . 0 0 "[ . 1 . 2]" 1
360 1 85 LYS HB2 1 87 ASN H . . 5.240 3.973 3.203 4.889 . 0 0 "[ . 1 . 2]" 1
361 1 86 ILE HG12 1 87 ASN H . . 5.040 4.438 4.261 4.667 . 0 0 "[ . 1 . 2]" 1
362 1 13 THR H 1 14 GLN H . . 5.100 4.290 4.133 4.422 . 0 0 "[ . 1 . 2]" 1
363 1 13 THR HA 1 14 GLN H . . 3.300 2.816 2.540 3.043 . 0 0 "[ . 1 . 2]" 1
364 1 14 GLN H 1 14 GLN HG2 . . 3.890 2.950 2.611 3.784 . 0 0 "[ . 1 . 2]" 1
365 1 14 GLN H 1 14 GLN HG3 . . 4.550 3.874 2.735 4.484 . 0 0 "[ . 1 . 2]" 1
366 1 14 GLN H 1 15 THR H . . 5.110 4.315 4.211 4.357 . 0 0 "[ . 1 . 2]" 1
367 1 27 VAL H 1 28 SER H . . 4.780 4.448 4.385 4.524 . 0 0 "[ . 1 . 2]" 1
368 1 25 PHE QB 1 27 VAL H . . 4.610 3.969 3.600 4.189 . 0 0 "[ . 1 . 2]" 1
369 1 26 ARG QB 1 27 VAL H . . 4.500 3.911 3.764 3.994 . 0 0 "[ . 1 . 2]" 1
370 1 27 VAL H 1 27 VAL HB . . 4.180 3.694 3.583 3.765 . 0 0 "[ . 1 . 2]" 1
371 1 74 GLU H 1 77 LYS H . . 4.830 3.927 3.585 4.231 . 0 0 "[ . 1 . 2]" 1
372 1 75 ASP H 1 77 LYS H . . 5.220 4.748 4.495 5.012 . 0 0 "[ . 1 . 2]" 1
373 1 76 GLY H 1 77 LYS H . . 3.700 2.956 2.789 3.118 . 0 0 "[ . 1 . 2]" 1
374 1 77 LYS H 1 78 VAL H . . 2.850 1.887 1.767 2.161 . 0 0 "[ . 1 . 2]" 1
375 1 77 LYS H 1 77 LYS HB3 . . 3.850 3.519 3.200 3.752 . 0 0 "[ . 1 . 2]" 1
376 1 128 PRO HA 1 129 SER H . . 3.430 2.572 2.163 2.673 . 0 0 "[ . 1 . 2]" 1
377 1 122 ARG HB2 1 123 SER H . . 4.430 3.880 2.353 4.698 0.268 16 0 "[ . 1 . 2]" 1
378 1 122 ARG HB3 1 123 SER H . . 4.730 3.271 2.243 4.425 . 0 0 "[ . 1 . 2]" 1
379 1 122 ARG QG 1 123 SER H . . 5.090 3.465 2.109 4.259 . 0 0 "[ . 1 . 2]" 1
380 1 112 SER H 1 112 SER HB3 . . 4.070 3.476 2.696 4.064 . 0 0 "[ . 1 . 2]" 1
381 1 111 ASN HB3 1 112 SER H . . 4.790 3.793 2.611 4.594 . 0 0 "[ . 1 . 2]" 1
382 1 111 ASN HB2 1 112 SER H . . 4.940 4.199 2.446 4.723 . 0 0 "[ . 1 . 2]" 1
383 1 70 SER H 1 82 HIS HD2 . . 4.810 3.366 1.978 4.531 . 0 0 "[ . 1 . 2]" 1
384 1 70 SER H 1 81 VAL MG1 . . 4.560 3.944 3.425 4.509 . 0 0 "[ . 1 . 2]" 1
385 1 70 SER H 1 82 HIS HB3 . . 4.650 2.883 2.459 3.186 . 0 0 "[ . 1 . 2]" 1
386 1 36 VAL H 1 37 VAL H . . 4.560 4.476 4.393 4.554 . 0 0 "[ . 1 . 2]" 1
387 1 35 ASP H 1 36 VAL H . . 3.100 2.451 1.891 3.048 . 0 0 "[ . 1 . 2]" 1
388 1 35 ASP QB 1 36 VAL H . . 3.960 3.566 3.198 3.899 . 0 0 "[ . 1 . 2]" 1
389 1 36 VAL H 1 50 LYS HD2 . . 5.020 3.576 2.424 4.872 . 0 0 "[ . 1 . 2]" 1
390 1 36 VAL H 1 50 LYS HB2 . . 5.130 3.891 3.271 4.411 . 0 0 "[ . 1 . 2]" 1
391 1 36 VAL H 1 36 VAL QG . . 2.960 2.241 1.800 2.658 . 0 0 "[ . 1 . 2]" 1
392 1 36 VAL H 1 49 LEU QD . . 5.240 4.368 4.038 4.977 . 0 0 "[ . 1 . 2]" 1
393 1 67 GLU H 1 68 GLU H . . 3.550 2.695 2.491 2.906 . 0 0 "[ . 1 . 2]" 1
394 1 66 VAL H 1 68 GLU H . . 5.180 3.969 3.638 4.261 . 0 0 "[ . 1 . 2]" 1
395 1 68 GLU H 1 69 SER H . . 3.060 2.376 1.907 3.094 0.034 14 0 "[ . 1 . 2]" 1
396 1 68 GLU H 1 69 SER HB2 . . 5.000 4.446 3.917 5.787 0.787 4 3 "[- +. * 1 . 2]" 1
397 1 68 GLU H 1 68 GLU QG . . 3.770 2.862 2.547 3.044 . 0 0 "[ . 1 . 2]" 1
398 1 67 GLU HB2 1 68 GLU H . . 4.240 3.169 2.681 3.421 . 0 0 "[ . 1 . 2]" 1
399 1 65 LYS HB3 1 68 GLU H . . 4.140 3.127 2.764 3.437 . 0 0 "[ . 1 . 2]" 1
400 1 68 GLU H 1 68 GLU HB3 . . 3.580 3.625 3.559 3.736 0.156 18 0 "[ . 1 . 2]" 1
401 1 65 LYS HG2 1 68 GLU H . . 3.960 2.677 2.054 3.396 . 0 0 "[ . 1 . 2]" 1
402 1 64 VAL H 1 65 LYS H . . 5.260 4.330 4.198 4.529 . 0 0 "[ . 1 . 2]" 1
403 1 43 ARG HA 1 64 VAL H . . 4.830 3.751 2.555 4.260 . 0 0 "[ . 1 . 2]" 1
404 1 63 GLU HG3 1 64 VAL H . . 4.990 4.878 4.333 5.016 0.026 7 0 "[ . 1 . 2]" 1
405 1 42 ARG HG3 1 64 VAL H . . 4.380 2.737 2.351 3.327 . 0 0 "[ . 1 . 2]" 1
406 1 43 ARG HG3 1 64 VAL H . . 4.800 4.503 3.327 4.870 0.070 8 0 "[ . 1 . 2]" 1
407 1 113 LYS HB3 1 115 SER H . . 5.220 4.507 2.160 5.279 0.059 14 0 "[ . 1 . 2]" 1
408 1 114 LEU HB2 1 115 SER H . . 4.750 4.349 4.008 4.695 . 0 0 "[ . 1 . 2]" 1
409 1 113 LYS HB2 1 115 SER H . . 5.000 4.902 2.683 5.287 0.287 3 0 "[ . 1 . 2]" 1
410 1 114 LEU HB3 1 115 SER H . . 4.110 4.323 3.786 4.656 0.546 19 6 "[-* ** 1 .* +2]" 1
411 1 119 SER H 1 120 GLU H . . 3.900 3.514 1.879 4.011 0.111 17 0 "[ . 1 . 2]" 1
412 1 118 ASP HB2 1 119 SER H . . 4.360 3.941 2.230 4.356 . 0 0 "[ . 1 . 2]" 1
413 1 118 ASP HB3 1 119 SER H . . 4.320 3.562 2.181 4.318 . 0 0 "[ . 1 . 2]" 1
414 1 4 GLY QA 1 5 SER H . . 3.220 2.306 2.169 2.653 . 0 0 "[ . 1 . 2]" 1
415 1 28 SER H 1 29 PHE QE . . 4.910 3.570 2.730 3.993 . 0 0 "[ . 1 . 2]" 1
416 1 28 SER H 1 29 PHE QD . . 4.360 3.138 2.079 3.711 . 0 0 "[ . 1 . 2]" 1
417 1 70 SER H 1 71 TRP H . . 4.940 4.247 4.043 4.400 . 0 0 "[ . 1 . 2]" 1
418 1 71 TRP H 1 71 TRP HD1 . . 3.900 2.885 2.425 3.532 . 0 0 "[ . 1 . 2]" 1
419 1 40 ILE MD 1 71 TRP H . . 4.450 3.664 3.014 4.462 0.012 12 0 "[ . 1 . 2]" 1
420 1 103 ASN H 1 104 THR H . . 3.740 2.294 1.882 3.812 0.072 19 0 "[ . 1 . 2]" 1
421 1 103 ASN HB2 1 104 THR H . . 4.250 3.564 2.458 4.379 0.129 14 0 "[ . 1 . 2]" 1
422 1 103 ASN HB3 1 104 THR H . . 4.320 3.353 2.040 4.377 0.057 20 0 "[ . 1 . 2]" 1
423 1 104 THR H 1 104 THR MG . . 3.390 2.676 1.943 3.396 0.006 18 0 "[ . 1 . 2]" 1
424 1 88 LYS H 1 89 MET H . . 3.570 3.096 2.619 3.815 0.245 5 0 "[ . 1 . 2]" 1
425 1 89 MET H 1 90 GLU H . . 3.180 2.150 1.871 3.180 . 0 0 "[ . 1 . 2]" 1
426 1 89 MET H 1 89 MET HB2 . . 3.980 3.642 2.272 4.020 0.040 18 0 "[ . 1 . 2]" 1
427 1 89 MET H 1 89 MET HB3 . . 3.530 3.533 3.360 4.094 0.564 5 1 "[ + 1 . 2]" 1
428 1 88 LYS QB 1 89 MET H . . 4.640 3.992 3.431 4.136 . 0 0 "[ . 1 . 2]" 1
429 1 88 LYS QG 1 89 MET H . . 4.800 4.254 3.388 4.506 . 0 0 "[ . 1 . 2]" 1
430 1 96 VAL HB 1 98 SER H . . 4.290 2.719 2.535 4.305 0.015 15 0 "[ . 1 . 2]" 1
431 1 97 THR H 1 98 SER H . . 3.980 2.488 1.799 2.981 . 0 0 "[ . 1 . 2]" 1
432 1 97 THR HA 1 98 SER H . . 3.540 3.553 3.532 3.588 0.048 14 0 "[ . 1 . 2]" 1
433 1 121 THR H 1 121 THR HB . . 3.790 3.175 2.357 3.741 . 0 0 "[ . 1 . 2]" 1
434 1 120 GLU HB2 1 121 THR H . . 4.500 3.517 1.916 4.692 0.192 3 0 "[ . 1 . 2]" 1
435 1 120 GLU HB3 1 121 THR H . . 4.810 3.617 1.882 4.609 . 0 0 "[ . 1 . 2]" 1
436 1 62 ASN HD22 1 63 GLU H . . 4.640 3.823 2.605 4.617 . 0 0 "[ . 1 . 2]" 1
437 1 62 ASN HD21 1 63 GLU H . . 5.220 3.665 2.094 4.589 . 0 0 "[ . 1 . 2]" 1
438 1 62 ASN H 1 63 GLU H . . 4.920 4.276 3.982 4.389 . 0 0 "[ . 1 . 2]" 1
439 1 43 ARG HD2 1 63 GLU H . . 5.070 2.796 1.982 4.048 . 0 0 "[ . 1 . 2]" 1
440 1 63 GLU H 1 63 GLU HB2 . . 3.590 2.433 2.224 2.608 . 0 0 "[ . 1 . 2]" 1
441 1 43 ARG HG3 1 63 GLU H . . 4.880 3.421 2.794 4.035 . 0 0 "[ . 1 . 2]" 1
442 1 63 GLU H 1 64 VAL MG1 . . 5.350 4.651 4.391 4.889 . 0 0 "[ . 1 . 2]" 1
443 1 63 GLU H 1 64 VAL MG2 . . 5.270 5.279 5.174 5.429 0.159 14 0 "[ . 1 . 2]" 1
444 1 33 GLY H 1 34 LYS H . . 3.540 2.848 1.954 3.529 . 0 0 "[ . 1 . 2]" 1
445 1 34 LYS H 1 36 VAL H . . 4.590 3.480 2.485 4.174 . 0 0 "[ . 1 . 2]" 1
446 1 32 LYS HA 1 34 LYS H . . 4.670 4.225 3.850 4.768 0.098 13 0 "[ . 1 . 2]" 1
447 1 33 GLY HA3 1 34 LYS H . . 3.510 3.458 3.167 3.641 0.131 1 0 "[ . 1 . 2]" 1
448 1 34 LYS H 1 35 ASP QB . . 4.670 3.696 3.490 3.999 . 0 0 "[ . 1 . 2]" 1
449 1 32 LYS QB 1 34 LYS H . . 3.830 2.763 2.257 3.396 . 0 0 "[ . 1 . 2]" 1
450 1 34 LYS H 1 34 LYS QB . . 3.080 2.906 2.539 3.235 0.155 11 0 "[ . 1 . 2]" 1
451 1 34 LYS H 1 34 LYS HD3 . . 4.410 3.904 2.629 4.448 0.038 11 0 "[ . 1 . 2]" 1
452 1 34 LYS H 1 34 LYS QG . . 3.070 2.128 1.864 2.535 . 0 0 "[ . 1 . 2]" 1
453 1 34 LYS H 1 73 ILE MD . . 5.010 4.301 3.799 4.960 . 0 0 "[ . 1 . 2]" 1
454 1 50 LYS H 1 51 GLY H . . 4.770 4.565 4.483 4.612 . 0 0 "[ . 1 . 2]" 1
455 1 50 LYS HB3 1 51 GLY H . . 4.270 3.793 3.593 3.947 . 0 0 "[ . 1 . 2]" 1
456 1 50 LYS HB2 1 51 GLY H . . 4.440 4.521 4.440 4.600 0.160 16 0 "[ . 1 . 2]" 1
457 1 37 VAL H 1 48 GLY H . . 3.590 3.091 2.834 3.598 0.008 18 0 "[ . 1 . 2]" 1
458 1 48 GLY H 1 55 VAL H . . 4.960 4.639 4.115 5.000 0.040 6 0 "[ . 1 . 2]" 1
459 1 25 PHE HZ 1 48 GLY H . . 4.980 4.026 3.125 5.007 0.027 6 0 "[ . 1 . 2]" 1
460 1 48 GLY H 1 54 PRO HA . . 4.310 4.275 3.776 4.412 0.102 3 0 "[ . 1 . 2]" 1
461 1 37 VAL HA 1 48 GLY H . . 5.210 4.944 4.372 5.275 0.065 19 0 "[ . 1 . 2]" 1
462 1 47 VAL MG2 1 48 GLY H . . 3.800 3.916 3.745 4.169 0.369 18 0 "[ . 1 . 2]" 1
463 1 92 TRP HE3 1 94 ARG H . . 4.930 4.197 3.743 4.606 . 0 0 "[ . 1 . 2]" 1
464 1 61 TYR QE 1 94 ARG H . . 4.600 4.454 3.744 4.702 0.102 7 0 "[ . 1 . 2]" 1
465 1 12 TRP HH2 1 94 ARG H . . 4.580 3.609 2.747 4.534 . 0 0 "[ . 1 . 2]" 1
466 1 93 ASN H 1 94 ARG H . . 3.370 2.152 1.845 2.614 . 0 0 "[ . 1 . 2]" 1
467 1 92 TRP HB2 1 94 ARG H . . 3.820 3.812 2.981 4.010 0.190 8 0 "[ . 1 . 2]" 1
468 1 92 TRP HB3 1 94 ARG H . . 4.140 2.496 2.373 3.116 . 0 0 "[ . 1 . 2]" 1
469 1 94 ARG H 1 94 ARG HG3 . . 4.250 2.912 2.366 4.512 0.262 8 0 "[ . 1 . 2]" 1
470 1 12 TRP H 1 13 THR H . . 4.680 4.214 4.110 4.334 . 0 0 "[ . 1 . 2]" 1
471 1 13 THR H 1 20 ASP H . . 3.980 2.786 2.475 2.929 . 0 0 "[ . 1 . 2]" 1
472 1 12 TRP HE3 1 13 THR H . . 4.410 3.163 2.600 3.734 . 0 0 "[ . 1 . 2]" 1
473 1 13 THR H 1 19 LEU HA . . 5.220 4.684 4.352 4.965 . 0 0 "[ . 1 . 2]" 1
474 1 12 TRP QB 1 13 THR H . . 3.610 3.037 2.581 3.268 . 0 0 "[ . 1 . 2]" 1
475 1 13 THR H 1 21 LEU QD . . 4.990 4.675 4.466 4.838 . 0 0 "[ . 1 . 2]" 1
476 1 59 GLU H 1 97 THR H . . 4.660 3.899 3.202 4.683 0.023 8 0 "[ . 1 . 2]" 1
477 1 96 VAL H 1 97 THR H . . 5.150 4.403 3.635 4.551 . 0 0 "[ . 1 . 2]" 1
478 1 60 LEU HA 1 97 THR H . . 4.840 3.761 3.156 4.909 0.069 8 0 "[ . 1 . 2]" 1
479 1 43 ARG H 1 44 HIS HB3 . . 5.170 4.501 4.132 4.762 . 0 0 "[ . 1 . 2]" 1
480 1 42 ARG H 1 43 ARG H . . 3.650 2.837 2.434 3.105 . 0 0 "[ . 1 . 2]" 1
481 1 43 ARG H 1 44 HIS HB2 . . 4.760 3.580 3.365 3.871 . 0 0 "[ . 1 . 2]" 1
482 1 41 GLN HB2 1 43 ARG H . . 4.180 4.049 3.591 4.561 0.381 8 0 "[ . 1 . 2]" 1
483 1 42 ARG HG3 1 43 ARG H . . 3.810 3.814 3.666 3.905 0.095 18 0 "[ . 1 . 2]" 1
484 1 42 ARG HB3 1 43 ARG H . . 3.750 2.365 2.094 2.708 . 0 0 "[ . 1 . 2]" 1
485 1 41 GLN HB3 1 43 ARG H . . 4.040 2.979 2.567 4.153 0.113 8 0 "[ . 1 . 2]" 1
486 1 43 ARG H 1 43 ARG HB2 . . 3.740 2.766 2.515 3.135 . 0 0 "[ . 1 . 2]" 1
487 1 43 ARG H 1 66 VAL QG . . 4.560 4.307 4.232 4.439 . 0 0 "[ . 1 . 2]" 1
488 1 43 ARG H 1 64 VAL MG2 . . 5.290 4.444 4.186 4.806 . 0 0 "[ . 1 . 2]" 1
489 1 52 GLN QB 1 52 GLN HE21 . . 3.930 2.488 1.897 2.800 . 0 0 "[ . 1 . 2]" 1
490 1 52 GLN QB 1 52 GLN HE22 . . 4.460 3.383 3.213 3.624 . 0 0 "[ . 1 . 2]" 1
491 1 15 THR H 1 18 GLU H . . 3.710 2.989 2.473 3.715 0.005 1 0 "[ . 1 . 2]" 1
492 1 14 GLN HA 1 18 GLU H . . 5.220 4.659 4.195 5.153 . 0 0 "[ . 1 . 2]" 1
493 1 18 GLU H 1 18 GLU HB3 . . 3.980 3.190 2.614 3.736 . 0 0 "[ . 1 . 2]" 1
494 1 15 THR MG 1 17 ALA H . . 4.780 2.826 2.145 4.256 . 0 0 "[ . 1 . 2]" 1
495 1 16 LEU H 1 17 ALA H . . 3.640 2.754 2.584 2.917 . 0 0 "[ . 1 . 2]" 1
496 1 15 THR HA 1 17 ALA H . . 4.100 4.124 4.093 4.229 0.129 5 0 "[ . 1 . 2]" 1
497 1 16 LEU QB 1 17 ALA H . . 3.870 3.792 3.634 3.924 0.054 11 0 "[ . 1 . 2]" 1
498 1 17 ALA H 1 17 ALA MB . . 3.030 2.663 2.530 2.831 . 0 0 "[ . 1 . 2]" 1
499 1 16 LEU QD 1 17 ALA H . . 5.180 4.172 3.711 4.638 . 0 0 "[ . 1 . 2]" 1
500 1 10 TYR H 1 11 ARG H . . 4.760 4.445 4.289 4.640 . 0 0 "[ . 1 . 2]" 1
501 1 9 ASN H 1 10 TYR H . . 3.420 2.398 1.883 3.077 . 0 0 "[ . 1 . 2]" 1
502 1 10 TYR H 1 10 TYR QD . . 3.860 2.861 2.136 3.393 . 0 0 "[ . 1 . 2]" 1
503 1 9 ASN HB3 1 10 TYR H . . 4.760 3.699 2.454 4.544 . 0 0 "[ . 1 . 2]" 1
504 1 9 ASN HB2 1 10 TYR H . . 4.540 3.581 2.429 4.458 . 0 0 "[ . 1 . 2]" 1
505 1 8 PRO HB2 1 10 TYR H . . 5.040 2.990 2.347 3.645 . 0 0 "[ . 1 . 2]" 1
506 1 93 ASN H 1 93 ASN HD21 . . 5.150 4.671 3.480 5.001 . 0 0 "[ . 1 . 2]" 1
507 1 15 THR H 1 17 ALA H . . 3.770 2.474 2.325 2.649 . 0 0 "[ . 1 . 2]" 1
508 1 15 THR H 1 19 LEU HA . . 4.230 4.059 3.785 4.263 0.033 19 0 "[ . 1 . 2]" 1
509 1 14 GLN HB2 1 15 THR H . . 3.840 2.393 1.944 2.829 . 0 0 "[ . 1 . 2]" 1
510 1 14 GLN HB3 1 15 THR H . . 4.180 3.776 3.440 4.081 . 0 0 "[ . 1 . 2]" 1
511 1 126 SER QB 1 127 GLY H . . 4.320 3.076 1.991 3.846 . 0 0 "[ . 1 . 2]" 1
512 1 125 VAL QG 1 127 GLY H . . 5.130 4.465 3.672 5.006 . 0 0 "[ . 1 . 2]" 1
513 1 6 SER QB 1 7 GLY H . . 4.160 3.150 2.266 4.006 . 0 0 "[ . 1 . 2]" 1
514 1 61 TYR H 1 62 ASN H . . 3.910 2.632 2.397 2.821 . 0 0 "[ . 1 . 2]" 1
515 1 62 ASN H 1 92 TRP HZ3 . . 4.190 4.076 3.602 4.393 0.203 14 0 "[ . 1 . 2]" 1
516 1 62 ASN H 1 92 TRP HZ2 . . 4.210 3.246 2.357 4.117 . 0 0 "[ . 1 . 2]" 1
517 1 60 LEU HB2 1 62 ASN H . . 4.050 3.393 2.977 3.774 . 0 0 "[ . 1 . 2]" 1
518 1 62 ASN H 1 92 TRP HE3 . . 5.280 5.005 3.756 5.464 0.184 12 0 "[ . 1 . 2]" 1
519 1 62 ASN H 1 92 TRP HH2 . . 3.860 3.115 2.556 3.880 0.020 9 0 "[ . 1 . 2]" 1
520 1 61 TYR QD 1 62 ASN H . . 4.130 3.533 3.147 4.153 0.023 12 0 "[ . 1 . 2]" 1
521 1 60 LEU HA 1 62 ASN H . . 4.730 4.163 3.717 4.385 . 0 0 "[ . 1 . 2]" 1
522 1 60 LEU HB3 1 62 ASN H . . 3.810 2.625 2.336 2.867 . 0 0 "[ . 1 . 2]" 1
523 1 61 TYR HB3 1 62 ASN H . . 3.870 2.790 2.460 3.299 . 0 0 "[ . 1 . 2]" 1
524 1 60 LEU QD 1 62 ASN H . . 4.360 3.861 3.694 3.985 . 0 0 "[ . 1 . 2]" 1
525 1 33 GLY H 1 35 ASP H . . 5.160 4.305 2.413 5.089 . 0 0 "[ . 1 . 2]" 1
526 1 33 GLY H 1 71 TRP HH2 . . 5.210 4.985 4.494 5.238 0.028 9 0 "[ . 1 . 2]" 1
527 1 32 LYS QB 1 33 GLY H . . 3.380 2.359 1.903 2.764 . 0 0 "[ . 1 . 2]" 1
528 1 32 LYS HG2 1 33 GLY H . . 4.720 4.228 3.370 4.820 0.100 6 0 "[ . 1 . 2]" 1
529 1 32 LYS HG3 1 33 GLY H . . 4.750 4.514 3.325 4.762 0.012 16 0 "[ . 1 . 2]" 1
530 1 33 GLY H 1 34 LYS QG . . 4.830 4.017 3.398 4.684 . 0 0 "[ . 1 . 2]" 1
531 1 57 ASP H 1 58 GLY H . . 4.470 3.514 1.878 4.216 . 0 0 "[ . 1 . 2]" 1
532 1 58 GLY H 1 96 VAL QG . . 3.740 2.967 2.433 3.483 . 0 0 "[ . 1 . 2]" 1
533 1 58 GLY H 1 59 GLU H . . 4.830 4.300 4.115 4.531 . 0 0 "[ . 1 . 2]" 1
534 1 57 ASP HA 1 58 GLY H . . 3.040 2.330 2.254 2.904 . 0 0 "[ . 1 . 2]" 1
535 1 57 ASP QB 1 58 GLY H . . 4.620 3.878 2.992 4.107 . 0 0 "[ . 1 . 2]" 1
536 1 58 GLY H 1 96 VAL HB . . 4.840 4.491 4.019 4.854 0.014 10 0 "[ . 1 . 2]" 1
537 1 94 ARG HA 1 96 VAL H . . 5.070 4.542 4.165 5.075 0.005 7 0 "[ . 1 . 2]" 1
538 1 95 LEU HG 1 96 VAL H . . 4.650 4.545 3.935 4.880 0.230 19 0 "[ . 1 . 2]" 1
539 1 75 ASP H 1 76 GLY H . . 3.880 2.774 2.630 2.889 . 0 0 "[ . 1 . 2]" 1
540 1 76 GLY H 1 78 VAL H . . 4.830 4.301 3.955 4.539 . 0 0 "[ . 1 . 2]" 1
541 1 74 GLU HA 1 76 GLY H . . 4.880 3.293 3.147 3.407 . 0 0 "[ . 1 . 2]" 1
542 1 107 ILE H 1 108 ASN H . . 3.850 3.053 2.262 3.554 . 0 0 "[ . 1 . 2]" 1
543 1 110 GLU H 1 111 ASN H . . 3.770 3.725 2.994 3.963 0.193 5 0 "[ . 1 . 2]" 1
544 1 120 GLU H 1 121 THR H . . 4.010 3.976 3.525 4.269 0.259 16 0 "[ . 1 . 2]" 1
545 1 121 THR H 1 121 THR MG . . 4.020 2.562 1.980 3.913 . 0 0 "[ . 1 . 2]" 1
546 1 15 THR MG 1 16 LEU H . . 4.220 3.944 3.630 4.332 0.112 19 0 "[ . 1 . 2]" 1
547 1 101 GLU H 1 102 ILE H . . 3.700 2.675 1.891 3.875 0.175 20 0 "[ . 1 . 2]" 1
548 1 15 THR HA 1 16 LEU H . . 3.580 2.730 2.563 2.943 . 0 0 "[ . 1 . 2]" 1
549 1 45 LEU HB2 1 60 LEU QD . . 3.720 2.084 1.831 2.371 . 0 0 "[ . 1 . 2]" 1
550 1 45 LEU HB3 1 60 LEU QD . . 4.210 2.634 1.979 3.070 . 0 0 "[ . 1 . 2]" 1
551 1 31 LEU H 1 76 GLY HA3 . . 3.990 3.430 2.931 4.003 0.013 15 0 "[ . 1 . 2]" 1
552 1 31 LEU H 1 76 GLY HA2 . . 4.020 3.445 2.970 3.842 . 0 0 "[ . 1 . 2]" 1
553 1 30 ARG QB 1 76 GLY HA2 . . 4.240 4.210 4.016 4.314 0.074 14 0 "[ . 1 . 2]" 1
554 1 30 ARG HG2 1 76 GLY HA2 . . 4.430 3.919 2.808 4.539 0.109 10 0 "[ . 1 . 2]" 1
555 1 30 ARG HG3 1 76 GLY HA2 . . 4.540 4.068 2.413 4.568 0.028 13 0 "[ . 1 . 2]" 1
556 1 21 LEU HB3 1 95 LEU QD . . 4.580 4.152 3.765 4.501 . 0 0 "[ . 1 . 2]" 1
557 1 12 TRP QB 1 21 LEU HB2 . . 4.340 2.662 2.470 2.879 . 0 0 "[ . 1 . 2]" 1
558 1 21 LEU HB3 1 22 ALA H . . 4.510 4.237 4.142 4.325 . 0 0 "[ . 1 . 2]" 1
559 1 21 LEU H 1 21 LEU HB3 . . 3.530 2.686 2.550 2.822 . 0 0 "[ . 1 . 2]" 1
560 1 21 LEU HB3 1 81 VAL H . . 4.110 3.009 2.895 3.121 . 0 0 "[ . 1 . 2]" 1
561 1 12 TRP QB 1 21 LEU HB3 . . 4.490 4.150 3.906 4.384 . 0 0 "[ . 1 . 2]" 1
562 1 21 LEU HB3 1 81 VAL HB . . 3.400 1.990 1.967 2.082 . 0 0 "[ . 1 . 2]" 1
563 1 21 LEU HB3 1 81 VAL MG2 . . 4.210 3.516 3.289 3.652 . 0 0 "[ . 1 . 2]" 1
564 1 21 LEU H 1 21 LEU HB2 . . 3.770 3.471 3.348 3.622 . 0 0 "[ . 1 . 2]" 1
565 1 21 LEU HB2 1 22 ALA H . . 4.360 3.936 3.799 4.083 . 0 0 "[ . 1 . 2]" 1
566 1 21 LEU HB2 1 81 VAL H . . 4.470 4.527 4.456 4.612 0.142 11 0 "[ . 1 . 2]" 1
567 1 12 TRP HA 1 21 LEU HB2 . . 4.500 3.580 3.089 4.151 . 0 0 "[ . 1 . 2]" 1
568 1 21 LEU HB2 1 81 VAL HB . . 3.710 3.624 3.560 3.678 . 0 0 "[ . 1 . 2]" 1
569 1 21 LEU HB2 1 95 LEU QD . . 4.280 3.043 2.661 3.348 . 0 0 "[ . 1 . 2]" 1
570 1 32 LYS H 1 73 ILE MD . . 4.360 3.711 3.334 4.162 . 0 0 "[ . 1 . 2]" 1
571 1 33 GLY H 1 73 ILE MD . . 3.630 3.386 2.983 3.670 0.040 7 0 "[ . 1 . 2]" 1
572 1 71 TRP HH2 1 73 ILE MD . . 3.940 3.106 2.202 3.702 . 0 0 "[ . 1 . 2]" 1
573 1 71 TRP HZ3 1 73 ILE MD . . 3.310 2.517 2.145 2.857 . 0 0 "[ . 1 . 2]" 1
574 1 73 ILE HA 1 73 ILE MD . . 3.950 3.848 3.737 3.931 . 0 0 "[ . 1 . 2]" 1
575 1 32 LYS HA 1 73 ILE MD . . 3.350 2.926 2.411 3.392 0.042 13 0 "[ . 1 . 2]" 1
576 1 33 GLY HA2 1 73 ILE MD . . 3.280 2.490 2.068 2.815 . 0 0 "[ . 1 . 2]" 1
577 1 48 GLY QA 1 55 VAL H . . 3.750 2.532 2.176 2.828 . 0 0 "[ . 1 . 2]" 1
578 1 40 ILE MD 1 71 TRP HE1 . . 4.560 4.267 3.951 4.544 . 0 0 "[ . 1 . 2]" 1
579 1 40 ILE HA 1 40 ILE MD . . 4.100 3.815 3.749 3.905 . 0 0 "[ . 1 . 2]" 1
580 1 40 ILE MD 1 70 SER H . . 4.100 3.088 2.458 3.712 . 0 0 "[ . 1 . 2]" 1
581 1 40 ILE H 1 40 ILE MD . . 4.100 3.683 3.104 4.116 0.016 13 0 "[ . 1 . 2]" 1
582 1 40 ILE MD 1 71 TRP HD1 . . 3.290 2.282 1.988 2.627 . 0 0 "[ . 1 . 2]" 1
583 1 40 ILE MD 1 70 SER HA . . 3.780 3.257 2.523 3.718 . 0 0 "[ . 1 . 2]" 1
584 1 40 ILE MD 1 69 SER HB2 . . 3.750 2.971 2.002 3.382 . 0 0 "[ . 1 . 2]" 1
585 1 40 ILE MD 1 71 TRP HB3 . . 4.120 2.258 1.932 2.590 . 0 0 "[ . 1 . 2]" 1
586 1 40 ILE HB 1 40 ILE MD . . 3.070 2.293 2.152 2.409 . 0 0 "[ . 1 . 2]" 1
587 1 72 LEU HB3 1 72 LEU HG . . 3.030 2.646 2.315 3.001 . 0 0 "[ . 1 . 2]" 1
588 1 72 LEU HB2 1 73 ILE H . . 3.440 2.552 2.172 3.022 . 0 0 "[ . 1 . 2]" 1
589 1 72 LEU HB2 1 72 LEU HG . . 3.000 2.792 2.327 2.966 . 0 0 "[ . 1 . 2]" 1
590 1 19 LEU HB3 1 83 LEU QD . . 4.190 2.425 1.775 3.437 . 0 0 "[ . 1 . 2]" 1
591 1 19 LEU HB2 1 83 LEU QD . . 4.290 3.164 2.678 3.620 . 0 0 "[ . 1 . 2]" 1
592 1 58 GLY HA2 1 59 GLU H . . 3.300 2.405 2.264 2.555 . 0 0 "[ . 1 . 2]" 1
593 1 58 GLY HA2 1 59 GLU QB . . 4.590 4.153 4.117 4.186 . 0 0 "[ . 1 . 2]" 1
594 1 58 GLY HA2 1 59 GLU HA . . 4.750 4.275 4.264 4.295 . 0 0 "[ . 1 . 2]" 1
595 1 58 GLY HA2 1 96 VAL HB . . 4.330 3.926 3.572 4.814 0.484 15 0 "[ . 1 . 2]" 1
596 1 58 GLY HA3 1 59 GLU H . . 3.370 2.868 2.685 3.081 . 0 0 "[ . 1 . 2]" 1
597 1 58 GLY HA3 1 96 VAL HB . . 3.940 2.406 2.002 3.148 . 0 0 "[ . 1 . 2]" 1
598 1 19 LEU H 1 19 LEU HB3 . . 3.770 3.415 3.199 3.534 . 0 0 "[ . 1 . 2]" 1
599 1 14 GLN HB3 1 19 LEU HB3 . . 4.510 4.211 3.826 4.581 0.071 19 0 "[ . 1 . 2]" 1
600 1 19 LEU HB3 1 83 LEU HB2 . . 4.030 2.375 2.166 2.540 . 0 0 "[ . 1 . 2]" 1
601 1 19 LEU HB3 1 83 LEU HB3 . . 4.610 4.006 3.635 4.272 . 0 0 "[ . 1 . 2]" 1
602 1 14 GLN HB3 1 19 LEU HB2 . . 4.620 4.506 4.202 4.642 0.022 14 0 "[ . 1 . 2]" 1
603 1 19 LEU H 1 19 LEU HB2 . . 3.880 2.405 2.269 2.504 . 0 0 "[ . 1 . 2]" 1
604 1 19 LEU HB2 1 83 LEU HB2 . . 3.960 1.996 1.889 2.061 . 0 0 "[ . 1 . 2]" 1
605 1 102 ILE H 1 102 ILE MD . . 4.500 3.484 2.314 4.105 . 0 0 "[ . 1 . 2]" 1
606 1 102 ILE HA 1 102 ILE MD . . 3.840 3.887 3.799 4.094 0.254 3 0 "[ . 1 . 2]" 1
607 1 102 ILE HB 1 102 ILE MD . . 3.320 2.250 1.996 2.727 . 0 0 "[ . 1 . 2]" 1
608 1 107 ILE H 1 107 ILE MD . . 4.610 2.920 1.892 3.731 . 0 0 "[ . 1 . 2]" 1
609 1 106 LYS HA 1 107 ILE MD . . 4.520 4.147 3.412 4.785 0.265 10 0 "[ . 1 . 2]" 1
610 1 107 ILE HA 1 107 ILE MD . . 4.060 3.444 1.926 4.121 0.061 2 0 "[ . 1 . 2]" 1
611 1 60 LEU HB3 1 61 TYR H . . 4.310 2.584 2.384 3.135 . 0 0 "[ . 1 . 2]" 1
612 1 60 LEU HB3 1 92 TRP HZ3 . . 3.790 2.867 2.331 3.598 . 0 0 "[ . 1 . 2]" 1
613 1 60 LEU HB3 1 92 TRP HH2 . . 4.120 2.323 1.779 3.257 . 0 0 "[ . 1 . 2]" 1
614 1 60 LEU HB2 1 92 TRP HH2 . . 4.370 3.694 3.329 4.399 0.029 9 0 "[ . 1 . 2]" 1
615 1 43 ARG HA 1 60 LEU HB2 . . 3.930 2.335 2.014 2.698 . 0 0 "[ . 1 . 2]" 1
616 1 60 LEU H 1 60 LEU HB2 . . 3.710 2.387 2.257 2.547 . 0 0 "[ . 1 . 2]" 1
617 1 92 TRP HB3 1 94 ARG QD . . 4.410 4.172 3.539 4.522 0.112 15 0 "[ . 1 . 2]" 1
618 1 34 LYS QG 1 35 ASP QB . . 4.790 3.190 2.648 3.734 . 0 0 "[ . 1 . 2]" 1
619 1 35 ASP H 1 35 ASP QB . . 3.400 2.258 2.020 2.643 . 0 0 "[ . 1 . 2]" 1
620 1 94 ARG HB2 1 94 ARG QD . . 3.780 2.538 2.117 3.589 . 0 0 "[ . 1 . 2]" 1
621 1 94 ARG HB3 1 94 ARG QD . . 3.880 3.203 2.670 3.647 . 0 0 "[ . 1 . 2]" 1
622 1 94 ARG QD 1 97 THR HA . . 3.940 2.485 2.125 2.867 . 0 0 "[ . 1 . 2]" 1
623 1 31 LEU H 1 31 LEU HB2 . . 3.610 2.220 2.099 2.439 . 0 0 "[ . 1 . 2]" 1
624 1 31 LEU HB2 1 76 GLY HA2 . . 4.690 3.675 3.364 4.041 . 0 0 "[ . 1 . 2]" 1
625 1 31 LEU HB3 1 32 LYS H . . 4.140 3.337 3.005 3.670 . 0 0 "[ . 1 . 2]" 1
626 1 31 LEU H 1 31 LEU HB3 . . 3.960 3.477 3.411 3.534 . 0 0 "[ . 1 . 2]" 1
627 1 31 LEU HB3 1 35 ASP QB . . 4.560 4.199 3.144 4.587 0.027 3 0 "[ . 1 . 2]" 1
628 1 31 LEU HB3 1 31 LEU QD . . 3.250 2.133 2.025 2.401 . 0 0 "[ . 1 . 2]" 1
629 1 43 ARG HA 1 43 ARG HD3 . . 4.370 4.353 4.162 4.451 0.081 20 0 "[ . 1 . 2]" 1
630 1 42 ARG HA 1 42 ARG HD2 . . 3.970 3.103 2.423 4.191 0.221 18 0 "[ . 1 . 2]" 1
631 1 42 ARG HD2 1 66 VAL QG . . 4.470 3.496 2.801 4.433 . 0 0 "[ . 1 . 2]" 1
632 1 42 ARG HB2 1 42 ARG HD3 . . 3.230 2.317 1.979 3.560 0.330 18 0 "[ . 1 . 2]" 1
633 1 42 ARG HD3 1 66 VAL QG . . 4.640 2.733 2.085 4.333 . 0 0 "[ . 1 . 2]" 1
634 1 43 ARG HD3 1 63 GLU HG3 . . 4.430 3.194 1.987 3.912 . 0 0 "[ . 1 . 2]" 1
635 1 43 ARG HB3 1 43 ARG HD3 . . 3.510 2.612 2.371 2.848 . 0 0 "[ . 1 . 2]" 1
636 1 43 ARG HB2 1 43 ARG HD3 . . 3.260 2.343 2.123 2.609 . 0 0 "[ . 1 . 2]" 1
637 1 43 ARG HA 1 43 ARG HD2 . . 4.400 4.255 4.075 4.445 0.045 20 0 "[ . 1 . 2]" 1
638 1 20 ASP HB2 1 21 LEU H . . 4.170 4.376 4.261 4.481 0.311 11 0 "[ . 1 . 2]" 1
639 1 20 ASP H 1 20 ASP HB2 . . 3.930 2.325 2.156 2.774 . 0 0 "[ . 1 . 2]" 1
640 1 20 ASP HB3 1 21 LEU H . . 4.450 3.337 3.057 3.505 . 0 0 "[ . 1 . 2]" 1
641 1 13 THR H 1 20 ASP HB3 . . 4.590 3.066 2.507 3.661 . 0 0 "[ . 1 . 2]" 1
642 1 20 ASP H 1 20 ASP HB3 . . 3.750 3.318 3.030 3.835 0.085 19 0 "[ . 1 . 2]" 1
643 1 19 LEU HG 1 83 LEU HB2 . . 4.620 4.472 2.822 4.630 0.010 9 0 "[ . 1 . 2]" 1
644 1 19 LEU HB2 1 83 LEU HB3 . . 4.390 3.275 2.686 3.556 . 0 0 "[ . 1 . 2]" 1
645 1 26 ARG HA 1 26 ARG QD . . 4.100 3.293 2.357 4.208 0.108 11 0 "[ . 1 . 2]" 1
646 1 46 ARG QD 1 54 PRO HB3 . . 4.160 3.473 2.766 4.166 0.006 13 0 "[ . 1 . 2]" 1
647 1 11 ARG H 1 11 ARG QD . . 4.480 3.830 2.630 4.332 . 0 0 "[ . 1 . 2]" 1
648 1 11 ARG HB2 1 11 ARG QD . . 3.160 2.396 1.962 3.162 0.002 14 0 "[ . 1 . 2]" 1
649 1 30 ARG H 1 30 ARG HD2 . . 5.500 3.721 2.922 5.189 . 0 0 "[ . 1 . 2]" 1
650 1 30 ARG QB 1 30 ARG HD2 . . 3.380 2.518 1.977 3.167 . 0 0 "[ . 1 . 2]" 1
651 1 30 ARG H 1 30 ARG HD3 . . 5.500 4.165 2.896 5.375 . 0 0 "[ . 1 . 2]" 1
652 1 30 ARG QB 1 30 ARG HD3 . . 3.160 2.420 1.969 3.295 0.135 10 0 "[ . 1 . 2]" 1
653 1 86 ILE H 1 86 ILE MD . . 4.190 3.679 3.428 4.081 . 0 0 "[ . 1 . 2]" 1
654 1 64 VAL HA 1 86 ILE MD . . 4.480 3.387 2.898 4.296 . 0 0 "[ . 1 . 2]" 1
655 1 65 LYS HA 1 86 ILE MD . . 3.330 2.376 2.050 2.560 . 0 0 "[ . 1 . 2]" 1
656 1 42 ARG HD2 1 86 ILE MD . . 4.340 2.642 2.308 4.263 . 0 0 "[ . 1 . 2]" 1
657 1 42 ARG HD3 1 86 ILE MD . . 4.440 3.589 2.833 4.167 . 0 0 "[ . 1 . 2]" 1
658 1 63 GLU HB3 1 86 ILE MD . . 3.460 3.302 2.857 3.471 0.011 9 0 "[ . 1 . 2]" 1
659 1 66 VAL H 1 86 ILE MD . . 4.140 4.036 3.767 4.183 0.043 8 0 "[ . 1 . 2]" 1
660 1 42 ARG HE 1 86 ILE MD . . 4.310 2.986 2.035 4.347 0.037 7 0 "[ . 1 . 2]" 1
661 1 86 ILE HA 1 86 ILE MD . . 3.080 2.220 1.982 2.442 . 0 0 "[ . 1 . 2]" 1
662 1 65 LYS QE 1 86 ILE MD . . 4.390 3.984 3.674 4.138 . 0 0 "[ . 1 . 2]" 1
663 1 65 LYS HB3 1 86 ILE MD . . 3.940 3.732 3.512 3.957 0.017 10 0 "[ . 1 . 2]" 1
664 1 65 LYS HD2 1 86 ILE MD . . 3.240 2.419 2.145 2.650 . 0 0 "[ . 1 . 2]" 1
665 1 39 ASP HB2 1 46 ARG HB2 . . 4.160 3.445 3.164 3.972 . 0 0 "[ . 1 . 2]" 1
666 1 39 ASP H 1 39 ASP HB3 . . 3.560 2.913 2.135 3.456 . 0 0 "[ . 1 . 2]" 1
667 1 39 ASP HB3 1 40 ILE H . . 4.460 4.190 3.941 4.659 0.199 19 0 "[ . 1 . 2]" 1
668 1 39 ASP HB3 1 46 ARG H . . 4.110 3.096 2.192 4.076 . 0 0 "[ . 1 . 2]" 1
669 1 39 ASP HB3 1 46 ARG HB2 . . 3.880 2.840 2.341 3.913 0.033 8 0 "[ . 1 . 2]" 1
670 1 39 ASP HB3 1 46 ARG HB3 . . 3.490 2.410 1.898 3.277 . 0 0 "[ . 1 . 2]" 1
671 1 39 ASP H 1 39 ASP HB2 . . 3.600 2.341 2.133 3.085 . 0 0 "[ . 1 . 2]" 1
672 1 38 VAL HA 1 39 ASP HB2 . . 4.660 4.386 4.262 5.169 0.509 19 1 "[ . 1 . +2]" 1
673 1 39 ASP HB2 1 46 ARG QD . . 4.670 3.323 2.204 4.164 . 0 0 "[ . 1 . 2]" 1
674 1 39 ASP HB2 1 46 ARG HB3 . . 3.680 2.179 1.981 3.242 . 0 0 "[ . 1 . 2]" 1
675 1 88 LYS QB 1 88 LYS QE . . 3.930 2.734 1.892 3.691 . 0 0 "[ . 1 . 2]" 1
676 1 88 LYS QE 1 88 LYS QG . . 2.900 2.192 1.981 2.570 . 0 0 "[ . 1 . 2]" 1
677 1 77 LYS HB2 1 77 LYS QE . . 4.000 3.482 2.300 3.997 . 0 0 "[ . 1 . 2]" 1
678 1 34 LYS QB 1 34 LYS HE2 . . 4.270 3.583 2.172 4.162 . 0 0 "[ . 1 . 2]" 1
679 1 77 LYS QE 1 77 LYS HG3 . . 3.450 2.543 2.006 3.331 . 0 0 "[ . 1 . 2]" 1
680 1 77 LYS QE 1 77 LYS HG2 . . 3.500 2.533 2.020 3.273 . 0 0 "[ . 1 . 2]" 1
681 1 65 LYS QE 1 68 GLU QG . . 4.000 2.761 2.156 3.703 . 0 0 "[ . 1 . 2]" 1
682 1 65 LYS QE 1 67 GLU HB2 . . 4.000 3.292 2.515 3.760 . 0 0 "[ . 1 . 2]" 1
683 1 34 LYS QB 1 34 LYS HE3 . . 4.120 2.918 2.279 3.862 . 0 0 "[ . 1 . 2]" 1
684 1 34 LYS HE3 1 34 LYS QG . . 3.230 2.526 2.028 3.409 0.179 9 0 "[ . 1 . 2]" 1
685 1 65 LYS QE 1 65 LYS HG3 . . 3.420 2.499 2.353 2.674 . 0 0 "[ . 1 . 2]" 1
686 1 34 LYS HE2 1 34 LYS QG . . 3.700 2.603 2.091 3.210 . 0 0 "[ . 1 . 2]" 1
687 1 37 VAL QG 1 50 LYS HE2 . . 4.030 3.402 2.120 3.835 . 0 0 "[ . 1 . 2]" 1
688 1 37 VAL QG 1 50 LYS HE3 . . 4.040 3.154 1.925 3.817 . 0 0 "[ . 1 . 2]" 1
689 1 114 LEU H 1 114 LEU HB2 . . 3.690 3.061 2.388 3.750 0.060 19 0 "[ . 1 . 2]" 1
690 1 114 LEU HB2 1 114 LEU MD1 . . 3.630 2.218 1.965 3.201 . 0 0 "[ . 1 . 2]" 1
691 1 114 LEU H 1 114 LEU HB3 . . 3.800 3.260 2.266 3.729 . 0 0 "[ . 1 . 2]" 1
692 1 117 LEU H 1 117 LEU HB3 . . 3.730 2.901 2.148 3.705 . 0 0 "[ . 1 . 2]" 1
693 1 114 LEU HB3 1 114 LEU MD1 . . 3.500 2.868 2.227 3.210 . 0 0 "[ . 1 . 2]" 1
694 1 49 LEU H 1 49 LEU HB3 . . 3.850 3.583 3.491 3.679 . 0 0 "[ . 1 . 2]" 1
695 1 49 LEU HB3 1 52 GLN QG . . 4.020 3.927 3.573 4.019 . 0 0 "[ . 1 . 2]" 1
696 1 49 LEU HB3 1 52 GLN QB . . 4.140 3.052 2.567 3.825 . 0 0 "[ . 1 . 2]" 1
697 1 49 LEU HB3 1 49 LEU QD . . 3.190 2.162 2.046 2.406 . 0 0 "[ . 1 . 2]" 1
698 1 49 LEU HB2 1 49 LEU QD . . 3.100 2.225 2.019 2.399 . 0 0 "[ . 1 . 2]" 1
699 1 49 LEU HB2 1 50 LYS H . . 4.280 4.284 4.085 4.459 0.179 18 0 "[ . 1 . 2]" 1
700 1 95 LEU HB3 1 96 VAL H . . 3.750 2.416 2.218 2.603 . 0 0 "[ . 1 . 2]" 1
701 1 95 LEU HB2 1 96 VAL H . . 4.210 3.733 3.524 3.954 . 0 0 "[ . 1 . 2]" 1
702 1 32 LYS HA 1 32 LYS QE . . 4.450 3.861 2.574 4.476 0.026 3 0 "[ . 1 . 2]" 1
703 1 32 LYS QB 1 32 LYS QE . . 4.170 3.081 1.927 3.698 . 0 0 "[ . 1 . 2]" 1
704 1 32 LYS QE 1 32 LYS HG2 . . 3.380 2.488 1.989 3.337 . 0 0 "[ . 1 . 2]" 1
705 1 32 LYS QE 1 32 LYS HG3 . . 3.500 2.705 2.174 3.425 . 0 0 "[ . 1 . 2]" 1
706 1 85 LYS HE3 1 85 LYS HG3 . . 4.230 2.685 2.302 2.949 . 0 0 "[ . 1 . 2]" 1
707 1 19 LEU QD 1 85 LYS HE2 . . 3.480 2.285 1.853 3.091 . 0 0 "[ . 1 . 2]" 1
708 1 57 ASP QB 1 100 PRO HB3 . . 3.840 2.719 1.975 3.799 . 0 0 "[ . 1 . 2]" 1
709 1 54 PRO HG3 1 57 ASP QB . . 4.030 3.970 3.830 4.053 0.023 18 0 "[ . 1 . 2]" 1
710 1 16 LEU H 1 16 LEU QB . . 3.690 3.215 3.045 3.356 . 0 0 "[ . 1 . 2]" 1
711 1 99 ASP H 1 99 ASP QB . . 3.390 2.586 2.015 2.876 . 0 0 "[ . 1 . 2]" 1
712 1 62 ASN HB3 1 63 GLU H . . 4.130 3.386 2.260 4.422 0.292 7 0 "[ . 1 . 2]" 1
713 1 62 ASN HB3 1 62 ASN HD22 . . 4.010 3.758 3.445 4.153 0.143 15 0 "[ . 1 . 2]" 1
714 1 62 ASN HB3 1 92 TRP HZ2 . . 4.150 2.577 1.958 3.406 . 0 0 "[ . 1 . 2]" 1
715 1 61 TYR QD 1 62 ASN HB3 . . 4.170 3.312 2.264 4.153 . 0 0 "[ . 1 . 2]" 1
716 1 99 ASP QB 1 100 PRO HD2 . . 3.390 2.139 1.939 2.523 . 0 0 "[ . 1 . 2]" 1
717 1 62 ASN HB2 1 62 ASN HD22 . . 3.770 3.744 3.446 4.117 0.347 17 0 "[ . 1 . 2]" 1
718 1 62 ASN HB2 1 63 GLU H . . 4.400 4.032 3.692 4.442 0.042 20 0 "[ . 1 . 2]" 1
719 1 62 ASN HB2 1 92 TRP HZ2 . . 4.280 3.692 2.864 4.220 . 0 0 "[ . 1 . 2]" 1
720 1 61 TYR QE 1 62 ASN HB2 . . 4.590 3.653 3.126 4.668 0.078 12 0 "[ . 1 . 2]" 1
721 1 61 TYR QD 1 62 ASN HB2 . . 3.860 2.199 1.983 2.639 . 0 0 "[ . 1 . 2]" 1
722 1 29 PHE HB3 1 30 ARG H . . 3.670 3.610 3.418 3.709 0.039 11 0 "[ . 1 . 2]" 1
723 1 118 ASP H 1 118 ASP HB2 . . 3.520 3.137 2.409 3.667 0.147 15 0 "[ . 1 . 2]" 1
724 1 118 ASP H 1 118 ASP HB3 . . 3.660 3.128 2.366 3.591 . 0 0 "[ . 1 . 2]" 1
725 1 75 ASP HB3 1 76 GLY H . . 4.640 4.238 3.956 4.366 . 0 0 "[ . 1 . 2]" 1
726 1 75 ASP HB3 1 77 LYS H . . 4.390 4.082 3.723 4.483 0.093 17 0 "[ . 1 . 2]" 1
727 1 116 ASP H 1 116 ASP HB2 . . 3.700 2.603 2.091 3.216 . 0 0 "[ . 1 . 2]" 1
728 1 116 ASP H 1 116 ASP HB3 . . 3.810 3.391 2.847 3.808 . 0 0 "[ . 1 . 2]" 1
729 1 75 ASP H 1 75 ASP HB2 . . 3.770 3.192 3.050 3.449 . 0 0 "[ . 1 . 2]" 1
730 1 75 ASP HB2 1 76 GLY H . . 4.640 4.118 3.909 4.216 . 0 0 "[ . 1 . 2]" 1
731 1 75 ASP HB2 1 77 LYS H . . 4.480 4.013 3.421 4.506 0.026 10 0 "[ . 1 . 2]" 1
732 1 74 GLU QB 1 75 ASP HB2 . . 4.530 3.227 3.097 3.518 . 0 0 "[ . 1 . 2]" 1
733 1 75 ASP H 1 75 ASP HB3 . . 3.970 4.021 3.980 4.079 0.109 9 0 "[ . 1 . 2]" 1
734 1 75 ASP HB3 1 78 VAL QG . . 4.570 4.087 2.921 4.497 . 0 0 "[ . 1 . 2]" 1
735 1 75 ASP HB3 1 77 LYS HD3 . . 4.700 3.058 1.992 4.303 . 0 0 "[ . 1 . 2]" 1
736 1 75 ASP HB3 1 77 LYS HG2 . . 4.380 2.094 1.933 2.562 . 0 0 "[ . 1 . 2]" 1
737 1 75 ASP HB2 1 77 LYS HG2 . . 4.600 2.686 2.006 4.265 . 0 0 "[ . 1 . 2]" 1
738 1 10 TYR HB3 1 23 VAL HA . . 4.470 3.215 2.949 3.592 . 0 0 "[ . 1 . 2]" 1
739 1 10 TYR HB3 1 23 VAL MG2 . . 3.910 2.453 1.941 2.934 . 0 0 "[ . 1 . 2]" 1
740 1 10 TYR HB3 1 11 ARG H . . 3.860 3.867 3.806 3.919 0.059 7 0 "[ . 1 . 2]" 1
741 1 10 TYR HB2 1 23 VAL MG1 . . 4.440 3.470 3.033 4.308 . 0 0 "[ . 1 . 2]" 1
742 1 13 THR HB 1 14 GLN H . . 3.200 2.235 2.013 3.439 0.239 1 0 "[ . 1 . 2]" 1
743 1 61 TYR HB2 1 92 TRP HE3 . . 4.440 3.327 2.602 3.830 . 0 0 "[ . 1 . 2]" 1
744 1 61 TYR H 1 61 TYR HB2 . . 3.670 2.376 2.070 2.559 . 0 0 "[ . 1 . 2]" 1
745 1 61 TYR HB2 1 94 ARG H . . 4.570 3.757 3.171 4.693 0.123 15 0 "[ . 1 . 2]" 1
746 1 61 TYR HB2 1 62 ASN H . . 4.310 3.998 3.684 4.325 0.015 14 0 "[ . 1 . 2]" 1
747 1 61 TYR H 1 61 TYR HB3 . . 3.760 2.283 2.117 2.621 . 0 0 "[ . 1 . 2]" 1
748 1 61 TYR QE 1 93 ASN QB . . 3.980 2.784 2.082 3.648 . 0 0 "[ . 1 . 2]" 1
749 1 93 ASN H 1 93 ASN QB . . 3.370 2.251 2.029 2.467 . 0 0 "[ . 1 . 2]" 1
750 1 92 TRP HA 1 93 ASN QB . . 4.460 4.032 3.949 4.157 . 0 0 "[ . 1 . 2]" 1
751 1 93 ASN QB 1 94 ARG H . . 3.960 3.294 2.963 3.631 . 0 0 "[ . 1 . 2]" 1
752 1 93 ASN QB 1 93 ASN HD21 . . 3.190 2.215 2.080 2.403 . 0 0 "[ . 1 . 2]" 1
753 1 102 ILE H 1 102 ILE HB . . 3.400 2.860 2.419 3.539 0.139 16 0 "[ . 1 . 2]" 1
754 1 108 ASN H 1 108 ASN QB . . 3.320 2.635 2.052 3.010 . 0 0 "[ . 1 . 2]" 1
755 1 111 ASN H 1 111 ASN HB2 . . 3.860 3.147 2.298 3.862 0.002 8 0 "[ . 1 . 2]" 1
756 1 103 ASN HB2 1 103 ASN HD22 . . 4.060 3.658 3.445 4.099 0.039 7 0 "[ . 1 . 2]" 1
757 1 108 ASN QB 1 109 PRO HD2 . . 4.080 2.820 1.992 3.591 . 0 0 "[ . 1 . 2]" 1
758 1 111 ASN H 1 111 ASN HB3 . . 3.810 3.246 2.508 3.787 . 0 0 "[ . 1 . 2]" 1
759 1 103 ASN HB3 1 103 ASN HD21 . . 3.480 2.886 2.104 3.547 0.067 19 0 "[ . 1 . 2]" 1
760 1 40 ILE H 1 40 ILE HB . . 3.450 2.368 2.213 2.479 . 0 0 "[ . 1 . 2]" 1
761 1 39 ASP HA 1 40 ILE HB . . 4.800 4.614 4.469 4.799 . 0 0 "[ . 1 . 2]" 1
762 1 107 ILE HB 1 108 ASN H . . 4.160 2.347 1.968 4.031 . 0 0 "[ . 1 . 2]" 1
763 1 107 ILE HB 1 108 ASN QB . . 4.020 3.647 3.238 3.938 . 0 0 "[ . 1 . 2]" 1
764 1 9 ASN H 1 9 ASN HB2 . . 3.670 2.601 2.054 3.272 . 0 0 "[ . 1 . 2]" 1
765 1 9 ASN HB2 1 9 ASN HD21 . . 3.590 2.573 2.102 3.565 . 0 0 "[ . 1 . 2]" 1
766 1 9 ASN HB2 1 10 TYR QD . . 4.190 3.288 2.068 4.423 0.233 12 0 "[ . 1 . 2]" 1
767 1 80 THR H 1 80 THR HB . . 3.800 3.491 3.064 3.609 . 0 0 "[ . 1 . 2]" 1
768 1 80 THR HB 1 81 VAL H . . 3.460 3.221 2.867 3.467 0.007 19 0 "[ . 1 . 2]" 1
769 1 22 ALA HA 1 80 THR HB . . 4.350 4.324 3.895 4.537 0.187 19 0 "[ . 1 . 2]" 1
770 1 72 LEU HG 1 80 THR HB . . 4.680 4.123 3.293 4.742 0.062 3 0 "[ . 1 . 2]" 1
771 1 22 ALA MB 1 80 THR HB . . 4.660 4.172 3.857 4.521 . 0 0 "[ . 1 . 2]" 1
772 1 72 LEU QD 1 80 THR HB . . 3.940 3.056 1.903 3.817 . 0 0 "[ . 1 . 2]" 1
773 1 104 THR HB 1 105 LYS H . . 3.720 3.166 2.152 3.737 0.017 13 0 "[ . 1 . 2]" 1
774 1 104 THR H 1 104 THR HB . . 3.710 3.489 2.905 3.776 0.066 16 0 "[ . 1 . 2]" 1
775 1 121 THR HB 1 122 ARG H . . 4.070 3.882 2.296 4.081 0.011 18 0 "[ . 1 . 2]" 1
776 1 63 GLU H 1 63 GLU HG3 . . 3.330 2.238 1.948 2.696 . 0 0 "[ . 1 . 2]" 1
777 1 63 GLU HA 1 63 GLU HG3 . . 3.840 2.856 2.329 3.104 . 0 0 "[ . 1 . 2]" 1
778 1 62 ASN HA 1 63 GLU HG3 . . 4.410 4.112 3.946 4.397 . 0 0 "[ . 1 . 2]" 1
779 1 43 ARG HD2 1 63 GLU HG3 . . 4.240 2.293 1.992 2.787 . 0 0 "[ . 1 . 2]" 1
780 1 42 ARG HG2 1 63 GLU HG3 . . 4.220 4.161 3.667 4.269 0.049 7 0 "[ . 1 . 2]" 1
781 1 43 ARG HB2 1 63 GLU HG3 . . 4.010 3.522 2.406 3.937 . 0 0 "[ . 1 . 2]" 1
782 1 63 GLU HG2 1 64 VAL H . . 4.390 4.093 3.579 4.444 0.054 14 0 "[ . 1 . 2]" 1
783 1 63 GLU H 1 63 GLU HG2 . . 3.670 3.446 3.218 3.698 0.028 9 0 "[ . 1 . 2]" 1
784 1 63 GLU HA 1 63 GLU HG2 . . 3.610 2.492 2.213 3.258 . 0 0 "[ . 1 . 2]" 1
785 1 43 ARG HD2 1 63 GLU HG2 . . 4.240 3.153 2.695 3.803 . 0 0 "[ . 1 . 2]" 1
786 1 42 ARG HG2 1 63 GLU HG2 . . 3.950 2.573 2.033 2.957 . 0 0 "[ . 1 . 2]" 1
787 1 43 ARG HB2 1 63 GLU HG2 . . 3.620 2.674 2.037 3.226 . 0 0 "[ . 1 . 2]" 1
788 1 97 THR H 1 97 THR HB . . 3.850 3.539 3.481 3.914 0.064 8 0 "[ . 1 . 2]" 1
789 1 97 THR HB 1 98 SER H . . 3.960 3.969 3.763 4.080 0.120 11 0 "[ . 1 . 2]" 1
790 1 97 THR HA 1 97 THR HB . . 3.020 2.505 2.416 2.545 . 0 0 "[ . 1 . 2]" 1
791 1 94 ARG QD 1 97 THR HB . . 4.680 4.435 3.770 4.681 0.001 15 0 "[ . 1 . 2]" 1
792 1 59 GLU QB 1 97 THR HB . . 4.450 4.317 3.846 4.499 0.049 9 0 "[ . 1 . 2]" 1
793 1 87 ASN H 1 87 ASN HB2 . . 3.850 2.553 2.124 3.585 . 0 0 "[ . 1 . 2]" 1
794 1 87 ASN H 1 87 ASN HB3 . . 3.810 3.327 2.926 3.754 . 0 0 "[ . 1 . 2]" 1
795 1 87 ASN HB3 1 87 ASN HD22 . . 4.090 3.696 3.447 4.087 . 0 0 "[ . 1 . 2]" 1
796 1 67 GLU H 1 67 GLU HG2 . . 3.890 3.468 2.860 3.859 . 0 0 "[ . 1 . 2]" 1
797 1 77 LYS H 1 77 LYS HB2 . . 3.930 3.862 3.737 4.017 0.087 1 0 "[ . 1 . 2]" 1
798 1 77 LYS HB2 1 77 LYS HD2 . . 3.780 2.754 2.122 3.652 . 0 0 "[ . 1 . 2]" 1
799 1 77 LYS HB2 1 78 VAL QG . . 3.920 3.113 2.669 3.840 . 0 0 "[ . 1 . 2]" 1
800 1 77 LYS HB3 1 77 LYS QE . . 4.520 3.661 2.033 4.386 . 0 0 "[ . 1 . 2]" 1
801 1 67 GLU HA 1 67 GLU HG2 . . 3.540 2.298 2.003 2.970 . 0 0 "[ . 1 . 2]" 1
802 1 67 GLU H 1 67 GLU HG3 . . 3.910 2.825 2.073 3.843 . 0 0 "[ . 1 . 2]" 1
803 1 90 GLU HG2 1 91 TRP H . . 4.230 3.890 3.033 4.321 0.091 9 0 "[ . 1 . 2]" 1
804 1 90 GLU HG2 1 92 TRP HD1 . . 4.140 3.230 2.213 3.780 . 0 0 "[ . 1 . 2]" 1
805 1 65 LYS HG3 1 68 GLU QG . . 4.480 3.660 3.517 3.985 . 0 0 "[ . 1 . 2]" 1
806 1 90 GLU HG3 1 91 TRP H . . 4.330 2.801 2.124 4.190 . 0 0 "[ . 1 . 2]" 1
807 1 90 GLU HG3 1 92 TRP HD1 . . 3.830 3.422 2.609 4.038 0.208 4 0 "[ . 1 . 2]" 1
808 1 68 GLU HA 1 68 GLU QG . . 3.330 2.279 2.191 2.350 . 0 0 "[ . 1 . 2]" 1
809 1 65 LYS HD3 1 68 GLU QG . . 4.560 3.201 2.804 3.685 . 0 0 "[ . 1 . 2]" 1
810 1 86 ILE HB 1 87 ASN H . . 3.760 2.852 2.333 3.274 . 0 0 "[ . 1 . 2]" 1
811 1 86 ILE H 1 86 ILE HB . . 3.500 2.334 2.251 2.408 . 0 0 "[ . 1 . 2]" 1
812 1 63 GLU HB3 1 86 ILE HB . . 4.490 4.132 3.617 4.479 . 0 0 "[ . 1 . 2]" 1
813 1 63 GLU HB2 1 86 ILE HB . . 3.800 3.330 2.636 3.761 . 0 0 "[ . 1 . 2]" 1
814 1 66 VAL HA 1 69 SER H . . 4.110 3.156 2.566 4.132 0.022 17 0 "[ . 1 . 2]" 1
815 1 66 VAL HA 1 68 GLU H . . 4.410 3.813 3.447 4.380 . 0 0 "[ . 1 . 2]" 1
816 1 66 VAL HA 1 69 SER HG . . 4.290 3.016 1.991 4.314 0.024 4 0 "[ . 1 . 2]" 1
817 1 66 VAL HA 1 69 SER HB3 . . 4.120 3.243 1.956 3.848 . 0 0 "[ . 1 . 2]" 1
818 1 66 VAL HA 1 69 SER HB2 . . 3.610 2.397 1.976 3.489 . 0 0 "[ . 1 . 2]" 1
819 1 66 VAL HA 1 66 VAL QG . . 2.900 2.377 2.056 2.460 . 0 0 "[ . 1 . 2]" 1
820 1 40 ILE MG 1 66 VAL HA . . 3.450 2.414 2.205 3.089 . 0 0 "[ . 1 . 2]" 1
821 1 101 GLU H 1 101 GLU HG2 . . 3.850 3.117 1.944 3.943 0.093 10 0 "[ . 1 . 2]" 1
822 1 101 GLU HG2 1 102 ILE H . . 4.610 3.954 2.010 4.837 0.227 3 0 "[ . 1 . 2]" 1
823 1 101 GLU HA 1 101 GLU HG2 . . 3.810 2.727 2.023 3.787 . 0 0 "[ . 1 . 2]" 1
824 1 101 GLU H 1 101 GLU HG3 . . 3.950 3.369 1.947 3.960 0.010 20 0 "[ . 1 . 2]" 1
825 1 96 VAL HB 1 97 THR H . . 3.500 2.849 1.775 4.048 0.548 15 1 "[ . 1 + 2]" 1
826 1 27 VAL HB 1 28 SER H . . 3.270 2.493 2.061 2.743 . 0 0 "[ . 1 . 2]" 1
827 1 27 VAL HB 1 29 PHE QE . . 4.170 3.108 2.728 3.338 . 0 0 "[ . 1 . 2]" 1
828 1 74 GLU H 1 74 GLU HG3 . . 4.050 3.487 2.935 3.889 . 0 0 "[ . 1 . 2]" 1
829 1 74 GLU HA 1 74 GLU HG3 . . 3.900 3.362 3.220 3.473 . 0 0 "[ . 1 . 2]" 1
830 1 72 LEU QD 1 74 GLU HG3 . . 3.780 2.923 2.354 3.283 . 0 0 "[ . 1 . 2]" 1
831 1 74 GLU HG2 1 75 ASP H . . 4.170 3.883 3.577 4.114 . 0 0 "[ . 1 . 2]" 1
832 1 74 GLU H 1 74 GLU HG2 . . 3.730 3.491 3.149 3.778 0.048 15 0 "[ . 1 . 2]" 1
833 1 32 LYS QB 1 33 GLY HA3 . . 4.790 4.264 4.087 4.497 . 0 0 "[ . 1 . 2]" 1
834 1 21 LEU H 1 81 VAL HB . . 4.380 3.795 3.570 4.051 . 0 0 "[ . 1 . 2]" 1
835 1 81 VAL H 1 81 VAL HB . . 3.770 2.628 2.488 2.769 . 0 0 "[ . 1 . 2]" 1
836 1 21 LEU HG 1 81 VAL HB . . 4.480 3.076 2.807 3.345 . 0 0 "[ . 1 . 2]" 1
837 1 32 LYS QB 1 35 ASP QB . . 4.520 3.466 2.102 4.331 . 0 0 "[ . 1 . 2]" 1
838 1 32 LYS QB 1 34 LYS QG . . 3.910 2.464 2.129 3.694 . 0 0 "[ . 1 . 2]" 1
839 1 36 VAL HB 1 37 VAL H . . 3.390 3.440 3.280 3.559 0.169 6 0 "[ . 1 . 2]" 1
840 1 36 VAL H 1 36 VAL HB . . 3.450 3.058 2.512 3.621 0.171 10 0 "[ . 1 . 2]" 1
841 1 36 VAL HB 1 71 TRP HH2 . . 4.080 3.145 1.989 4.229 0.149 9 0 "[ . 1 . 2]" 1
842 1 36 VAL HB 1 71 TRP HZ3 . . 4.560 3.717 2.670 4.485 . 0 0 "[ . 1 . 2]" 1
843 1 43 ARG HD3 1 59 GLU HG3 . . 4.510 4.169 3.331 4.507 . 0 0 "[ . 1 . 2]" 1
844 1 43 ARG HE 1 59 GLU HG2 . . 4.600 2.982 2.332 4.073 . 0 0 "[ . 1 . 2]" 1
845 1 64 VAL HB 1 65 LYS H . . 3.370 3.183 2.916 3.371 0.001 15 0 "[ . 1 . 2]" 1
846 1 59 GLU HG3 1 60 LEU H . . 3.850 3.207 2.499 3.685 . 0 0 "[ . 1 . 2]" 1
847 1 43 ARG HG3 1 59 GLU HG3 . . 4.520 4.180 3.682 4.556 0.036 14 0 "[ . 1 . 2]" 1
848 1 59 GLU H 1 59 GLU HG3 . . 4.470 4.472 4.405 4.520 0.050 14 0 "[ . 1 . 2]" 1
849 1 59 GLU HA 1 59 GLU HG3 . . 3.660 2.605 2.486 2.841 . 0 0 "[ . 1 . 2]" 1
850 1 43 ARG HG2 1 59 GLU HG3 . . 3.980 2.515 1.981 2.949 . 0 0 "[ . 1 . 2]" 1
851 1 59 GLU HG3 1 97 THR MG . . 4.580 4.315 3.546 4.584 0.004 4 0 "[ . 1 . 2]" 1
852 1 59 GLU HA 1 59 GLU HG2 . . 3.920 3.204 2.720 3.487 . 0 0 "[ . 1 . 2]" 1
853 1 59 GLU H 1 59 GLU HG2 . . 4.360 4.335 4.201 4.419 0.059 8 0 "[ . 1 . 2]" 1
854 1 59 GLU HG2 1 60 LEU H . . 4.020 3.360 2.062 4.011 . 0 0 "[ . 1 . 2]" 1
855 1 43 ARG HG2 1 59 GLU HG2 . . 4.220 2.681 1.960 3.466 . 0 0 "[ . 1 . 2]" 1
856 1 46 ARG HA 1 56 VAL HB . . 4.580 3.476 3.034 3.939 . 0 0 "[ . 1 . 2]" 1
857 1 47 VAL HB 1 56 VAL HB . . 3.340 2.107 1.942 2.263 . 0 0 "[ . 1 . 2]" 1
858 1 46 ARG H 1 46 ARG HB2 . . 4.080 2.911 2.603 3.325 . 0 0 "[ . 1 . 2]" 1
859 1 39 ASP H 1 46 ARG HB3 . . 4.140 2.737 2.419 3.128 . 0 0 "[ . 1 . 2]" 1
860 1 85 LYS HB2 1 86 ILE H . . 4.680 4.019 3.660 4.340 . 0 0 "[ . 1 . 2]" 1
861 1 85 LYS HB2 1 85 LYS HD2 . . 4.090 2.546 2.291 2.735 . 0 0 "[ . 1 . 2]" 1
862 1 17 ALA HA 1 85 LYS HB2 . . 4.660 3.277 2.330 4.089 . 0 0 "[ . 1 . 2]" 1
863 1 39 ASP H 1 46 ARG HB2 . . 4.210 4.138 3.775 4.312 0.102 6 0 "[ . 1 . 2]" 1
864 1 46 ARG HB2 1 46 ARG HE . . 4.600 2.893 1.948 3.999 . 0 0 "[ . 1 . 2]" 1
865 1 46 ARG HB2 1 46 ARG QD . . 3.920 2.845 2.397 3.139 . 0 0 "[ . 1 . 2]" 1
866 1 90 GLU HB2 1 91 TRP H . . 4.830 3.505 1.943 4.540 . 0 0 "[ . 1 . 2]" 1
867 1 90 GLU HB3 1 91 TRP H . . 4.530 4.042 3.357 4.579 0.049 5 0 "[ . 1 . 2]" 1
868 1 11 ARG HB2 1 22 ALA MB . . 4.270 3.473 2.167 4.281 0.011 19 0 "[ . 1 . 2]" 1
869 1 11 ARG HB2 1 12 TRP H . . 3.650 3.356 2.726 4.028 0.378 3 0 "[ . 1 . 2]" 1
870 1 11 ARG H 1 11 ARG HB3 . . 3.590 3.196 2.708 3.655 0.065 6 0 "[ . 1 . 2]" 1
871 1 11 ARG HB3 1 11 ARG QD . . 3.870 2.707 1.963 3.219 . 0 0 "[ . 1 . 2]" 1
872 1 11 ARG HB3 1 22 ALA MB . . 4.150 4.081 3.588 4.264 0.114 6 0 "[ . 1 . 2]" 1
873 1 37 VAL HB 1 48 GLY H . . 3.790 3.851 3.071 4.655 0.865 20 5 "[ .* 1 * .* - +]" 1
874 1 37 VAL H 1 37 VAL HB . . 3.310 2.951 2.632 3.806 0.496 16 0 "[ . 1 . 2]" 1
875 1 37 VAL HB 1 38 VAL H . . 4.530 4.390 3.841 4.593 0.063 17 0 "[ . 1 . 2]" 1
876 1 36 VAL HA 1 37 VAL HB . . 4.620 4.505 4.216 5.223 0.603 13 2 "[ . 1 + .- 2]" 1
877 1 84 GLU QG 1 85 LYS H . . 4.050 3.120 2.403 3.882 . 0 0 "[ . 1 . 2]" 1
878 1 84 GLU H 1 84 GLU QG . . 4.220 4.033 3.624 4.188 . 0 0 "[ . 1 . 2]" 1
879 1 70 SER QB 1 71 TRP H . . 3.140 2.845 1.990 3.170 0.030 10 0 "[ . 1 . 2]" 1
880 1 40 ILE MD 1 70 SER QB . . 4.750 4.523 3.972 4.817 0.067 8 0 "[ . 1 . 2]" 1
881 1 41 GLN H 1 41 GLN HG2 . . 4.100 3.524 3.231 4.249 0.149 6 0 "[ . 1 . 2]" 1
882 1 41 GLN HG2 1 42 ARG H . . 4.330 4.188 2.840 4.381 0.051 12 0 "[ . 1 . 2]" 1
883 1 41 GLN HA 1 41 GLN HG2 . . 3.560 2.721 2.359 3.686 0.126 11 0 "[ . 1 . 2]" 1
884 1 41 GLN HG2 1 44 HIS HB3 . . 4.470 4.094 2.951 4.484 0.014 15 0 "[ . 1 . 2]" 1
885 1 41 GLN H 1 41 GLN HG3 . . 4.200 4.165 3.127 4.456 0.256 8 0 "[ . 1 . 2]" 1
886 1 41 GLN HG3 1 42 ARG H . . 4.320 4.051 1.831 4.401 0.081 14 0 "[ . 1 . 2]" 1
887 1 41 GLN HA 1 41 GLN HG3 . . 3.570 3.385 2.302 3.634 0.064 14 0 "[ . 1 . 2]" 1
888 1 41 GLN HG3 1 44 HIS HB3 . . 4.660 3.537 3.179 4.505 . 0 0 "[ . 1 . 2]" 1
889 1 43 ARG H 1 43 ARG HB3 . . 3.900 3.056 2.835 3.174 . 0 0 "[ . 1 . 2]" 1
890 1 55 VAL H 1 55 VAL HB . . 3.510 2.533 2.303 2.648 . 0 0 "[ . 1 . 2]" 1
891 1 54 PRO HA 1 55 VAL HB . . 4.750 4.586 4.298 4.744 . 0 0 "[ . 1 . 2]" 1
892 1 48 GLY QA 1 55 VAL HB . . 4.570 4.008 3.152 4.671 0.101 6 0 "[ . 1 . 2]" 1
893 1 12 TRP HE3 1 14 GLN HB3 . . 4.620 3.698 3.376 4.141 . 0 0 "[ . 1 . 2]" 1
894 1 43 ARG HB2 1 63 GLU HA . . 4.580 3.187 2.461 4.096 . 0 0 "[ . 1 . 2]" 1
895 1 43 ARG HB2 1 43 ARG HD2 . . 3.940 2.993 2.836 3.235 . 0 0 "[ . 1 . 2]" 1
896 1 18 GLU H 1 18 GLU HG2 . . 3.970 3.420 2.791 3.972 0.002 20 0 "[ . 1 . 2]" 1
897 1 17 ALA MB 1 18 GLU HG2 . . 4.190 3.886 3.532 4.201 0.011 2 0 "[ . 1 . 2]" 1
898 1 52 GLN HA 1 52 GLN QG . . 3.130 2.111 1.970 3.171 0.041 9 0 "[ . 1 . 2]" 1
899 1 52 GLN QG 1 53 PRO HD3 . . 4.340 2.970 2.452 3.435 . 0 0 "[ . 1 . 2]" 1
900 1 52 GLN QG 1 53 PRO HD2 . . 3.920 3.042 1.956 3.338 . 0 0 "[ . 1 . 2]" 1
901 1 52 GLN H 1 52 GLN QG . . 3.740 3.166 2.893 3.402 . 0 0 "[ . 1 . 2]" 1
902 1 49 LEU HB2 1 52 GLN QG . . 3.590 3.214 2.550 3.542 . 0 0 "[ . 1 . 2]" 1
903 1 79 VAL H 1 79 VAL HB . . 3.390 2.267 2.156 2.419 . 0 0 "[ . 1 . 2]" 1
904 1 23 VAL MG2 1 79 VAL HB . . 4.040 4.032 3.897 4.112 0.072 19 0 "[ . 1 . 2]" 1
905 1 23 VAL MG1 1 79 VAL HB . . 4.560 3.829 2.887 4.203 . 0 0 "[ . 1 . 2]" 1
906 1 18 GLU H 1 18 GLU HG3 . . 3.850 2.255 1.955 2.708 . 0 0 "[ . 1 . 2]" 1
907 1 17 ALA MB 1 18 GLU HG3 . . 3.890 3.042 2.240 3.792 . 0 0 "[ . 1 . 2]" 1
908 1 38 VAL HB 1 71 TRP HD1 . . 4.650 3.745 3.243 4.295 . 0 0 "[ . 1 . 2]" 1
909 1 38 VAL HB 1 47 VAL MG2 . . 4.470 4.177 3.575 4.532 0.062 19 0 "[ . 1 . 2]" 1
910 1 23 VAL H 1 23 VAL HB . . 3.700 2.637 2.424 2.779 . 0 0 "[ . 1 . 2]" 1
911 1 23 VAL HB 1 79 VAL MG2 . . 4.240 4.246 4.115 4.329 0.089 10 0 "[ . 1 . 2]" 1
912 1 23 VAL HB 1 79 VAL MG1 . . 3.720 3.274 2.898 3.691 . 0 0 "[ . 1 . 2]" 1
913 1 69 SER HB3 1 70 SER H . . 3.900 3.096 2.606 4.184 0.284 7 0 "[ . 1 . 2]" 1
914 1 40 ILE MD 1 69 SER HB3 . . 3.400 2.287 1.949 3.634 0.234 7 0 "[ . 1 . 2]" 1
915 1 69 SER H 1 69 SER HB3 . . 3.940 3.306 2.019 3.785 . 0 0 "[ . 1 . 2]" 1
916 1 69 SER HB2 1 70 SER H . . 4.140 3.803 2.424 4.140 . 15 0 "[ . 1 . 2]" 1
917 1 69 SER H 1 69 SER HB2 . . 3.630 2.611 2.065 3.607 . 0 0 "[ . 1 . 2]" 1
918 1 66 VAL QG 1 69 SER HB2 . . 4.340 3.830 3.104 4.802 0.462 7 0 "[ . 1 . 2]" 1
919 1 40 ILE MG 1 69 SER HB2 . . 3.430 2.040 1.910 2.796 . 0 0 "[ . 1 . 2]" 1
920 1 23 VAL HB 1 79 VAL HB . . 3.060 2.711 2.550 2.875 . 0 0 "[ . 1 . 2]" 1
921 1 106 LYS HB2 1 107 ILE H . . 4.410 4.201 3.296 4.730 0.320 17 0 "[ . 1 . 2]" 1
922 1 106 LYS HB3 1 107 ILE H . . 4.580 3.543 1.951 4.685 0.105 10 0 "[ . 1 . 2]" 1
923 1 94 ARG HB2 1 95 LEU H . . 4.020 3.010 1.893 3.678 . 0 0 "[ . 1 . 2]" 1
924 1 125 VAL H 1 125 VAL HB . . 3.840 3.202 2.578 3.798 . 0 0 "[ . 1 . 2]" 1
925 1 113 LYS H 1 113 LYS HB2 . . 4.030 2.823 2.218 4.006 . 0 0 "[ . 1 . 2]" 1
926 1 94 ARG HB3 1 95 LEU H . . 3.930 3.760 2.804 4.136 0.206 18 0 "[ . 1 . 2]" 1
927 1 89 MET H 1 89 MET QG . . 3.710 2.423 2.073 3.080 . 0 0 "[ . 1 . 2]" 1
928 1 89 MET HB3 1 89 MET QG . . 2.740 2.275 2.183 2.564 . 0 0 "[ . 1 . 2]" 1
929 1 89 MET HB2 1 89 MET QG . . 2.780 2.460 2.184 2.567 . 0 0 "[ . 1 . 2]" 1
930 1 94 ARG HB2 1 96 VAL H . . 4.650 3.136 2.830 3.422 . 0 0 "[ . 1 . 2]" 1
931 1 94 ARG HB3 1 96 VAL H . . 4.570 4.633 4.148 4.810 0.240 19 0 "[ . 1 . 2]" 1
932 1 14 GLN HG3 1 91 TRP HE3 . . 4.510 3.302 2.240 4.258 . 0 0 "[ . 1 . 2]" 1
933 1 63 GLU HB3 1 64 VAL H . . 3.930 2.996 2.500 3.608 . 0 0 "[ . 1 . 2]" 1
934 1 63 GLU H 1 63 GLU HB3 . . 3.940 3.547 3.493 3.586 . 0 0 "[ . 1 . 2]" 1
935 1 42 ARG HG2 1 63 GLU HB3 . . 3.810 3.053 2.764 3.562 . 0 0 "[ . 1 . 2]" 1
936 1 63 GLU HB2 1 64 VAL H . . 4.290 4.108 3.700 4.471 0.181 7 0 "[ . 1 . 2]" 1
937 1 24 PRO HB3 1 78 VAL QG . . 2.550 1.961 1.798 2.082 . 0 0 "[ . 1 . 2]" 1
938 1 24 PRO HB2 1 25 PHE H . . 3.870 3.252 2.910 3.818 . 0 0 "[ . 1 . 2]" 1
939 1 24 PRO HB2 1 78 VAL QG . . 3.760 3.098 2.855 3.325 . 0 0 "[ . 1 . 2]" 1
940 1 54 PRO HA 1 55 VAL HA . . 4.580 4.306 4.245 4.342 . 0 0 "[ . 1 . 2]" 1
941 1 41 GLN HB3 1 44 HIS HB2 . . 4.130 3.366 2.647 3.743 . 0 0 "[ . 1 . 2]" 1
942 1 8 PRO HB2 1 9 ASN H . . 4.150 2.030 1.927 3.487 . 0 0 "[ . 1 . 2]" 1
943 1 47 VAL H 1 54 PRO HB3 . . 4.400 3.893 3.472 4.310 . 0 0 "[ . 1 . 2]" 1
944 1 46 ARG HG2 1 54 PRO HB3 . . 4.420 2.630 2.350 3.295 . 0 0 "[ . 1 . 2]" 1
945 1 54 PRO HB3 1 55 VAL H . . 4.220 4.141 3.712 4.279 0.059 15 0 "[ . 1 . 2]" 1
946 1 54 PRO HB3 1 56 VAL H . . 4.380 4.164 3.760 4.409 0.029 8 0 "[ . 1 . 2]" 1
947 1 48 GLY QA 1 54 PRO HB3 . . 4.210 2.974 1.958 3.474 . 0 0 "[ . 1 . 2]" 1
948 1 46 ARG HG3 1 54 PRO HB3 . . 4.210 3.866 3.438 4.249 0.039 6 0 "[ . 1 . 2]" 1
949 1 100 PRO HB3 1 101 GLU H . . 3.770 3.535 3.037 3.880 0.110 2 0 "[ . 1 . 2]" 1
950 1 54 PRO HB2 1 56 VAL H . . 4.010 3.157 2.604 3.478 . 0 0 "[ . 1 . 2]" 1
951 1 54 PRO HB2 1 57 ASP QB . . 3.700 2.689 2.513 2.989 . 0 0 "[ . 1 . 2]" 1
952 1 8 PRO HB3 1 9 ASN H . . 4.000 3.163 3.095 4.324 0.324 19 0 "[ . 1 . 2]" 1
953 1 8 PRO HB3 1 10 TYR H . . 4.290 4.398 4.028 4.677 0.387 10 0 "[ . 1 . 2]" 1
954 1 126 SER H 1 126 SER QB . . 3.700 2.976 2.572 3.446 . 0 0 "[ . 1 . 2]" 1
955 1 41 GLN HG3 1 44 HIS HB2 . . 4.520 4.369 3.446 5.489 0.969 6 2 "[ .+ 1 - . 2]" 1
956 1 41 GLN HB2 1 44 HIS HB3 . . 4.370 2.310 1.985 3.136 . 0 0 "[ . 1 . 2]" 1
957 1 41 GLN HB2 1 44 HIS HB2 . . 4.570 3.315 2.698 4.285 . 0 0 "[ . 1 . 2]" 1
958 1 65 LYS H 1 65 LYS HB3 . . 3.610 2.803 2.601 3.001 . 0 0 "[ . 1 . 2]" 1
959 1 41 GLN HB3 1 44 HIS HB3 . . 3.970 3.068 1.935 3.525 . 0 0 "[ . 1 . 2]" 1
960 1 50 LYS HB3 1 50 LYS HE2 . . 4.580 4.542 4.321 5.029 0.449 12 0 "[ . 1 . 2]" 1
961 1 65 LYS H 1 65 LYS HB2 . . 3.700 2.186 2.049 2.360 . 0 0 "[ . 1 . 2]" 1
962 1 115 SER H 1 115 SER QB . . 3.630 2.597 2.023 3.035 . 0 0 "[ . 1 . 2]" 1
963 1 37 VAL QG 1 50 LYS HB3 . . 4.130 3.865 3.606 4.113 . 0 0 "[ . 1 . 2]" 1
964 1 35 ASP HA 1 50 LYS HB2 . . 4.310 2.833 2.260 3.418 . 0 0 "[ . 1 . 2]" 1
965 1 37 VAL QG 1 50 LYS HB2 . . 3.830 2.965 2.500 3.432 . 0 0 "[ . 1 . 2]" 1
966 1 98 SER HB2 1 99 ASP H . . 4.120 4.174 3.274 4.719 0.599 5 5 "[ * + - 1 . * *]" 1
967 1 98 SER H 1 98 SER HB2 . . 3.810 3.162 2.445 3.801 . 0 0 "[ . 1 . 2]" 1
968 1 98 SER H 1 98 SER HB3 . . 3.690 3.366 2.824 3.856 0.166 19 0 "[ . 1 . 2]" 1
969 1 123 SER QB 1 124 MET H . . 4.130 2.703 2.251 3.428 . 0 0 "[ . 1 . 2]" 1
970 1 123 SER H 1 123 SER QB . . 3.430 2.883 2.355 3.396 . 0 0 "[ . 1 . 2]" 1
971 1 28 SER H 1 28 SER HB2 . . 3.460 2.377 2.214 2.569 . 0 0 "[ . 1 . 2]" 1
972 1 28 SER HB2 1 29 PHE H . . 4.410 4.045 3.815 4.206 . 0 0 "[ . 1 . 2]" 1
973 1 28 SER HA 1 28 SER HB2 . . 3.020 2.874 2.782 2.961 . 0 0 "[ . 1 . 2]" 1
974 1 119 SER H 1 119 SER HB2 . . 3.850 3.362 2.805 3.851 0.001 7 0 "[ . 1 . 2]" 1
975 1 28 SER H 1 28 SER HB3 . . 3.420 3.236 3.076 3.441 0.021 19 0 "[ . 1 . 2]" 1
976 1 28 SER HB3 1 29 PHE H . . 4.520 4.016 3.837 4.139 . 0 0 "[ . 1 . 2]" 1
977 1 28 SER HA 1 28 SER HB3 . . 2.970 2.883 2.783 2.963 . 0 0 "[ . 1 . 2]" 1
978 1 119 SER H 1 119 SER HB3 . . 3.830 3.474 2.661 3.817 . 0 0 "[ . 1 . 2]" 1
979 1 88 LYS H 1 88 LYS QB . . 3.870 2.987 2.339 3.414 . 0 0 "[ . 1 . 2]" 1
980 1 34 LYS QB 1 35 ASP H . . 4.620 3.730 3.415 4.082 . 0 0 "[ . 1 . 2]" 1
981 1 34 LYS QB 1 34 LYS HD3 . . 3.770 3.068 2.134 3.324 . 0 0 "[ . 1 . 2]" 1
982 1 49 LEU H 1 54 PRO HA . . 4.310 4.113 3.171 4.454 0.144 18 0 "[ . 1 . 2]" 1
983 1 54 PRO HA 1 55 VAL H . . 3.020 2.167 2.149 2.239 . 0 0 "[ . 1 . 2]" 1
984 1 54 PRO HA 1 56 VAL H . . 4.140 3.494 3.123 3.912 . 0 0 "[ . 1 . 2]" 1
985 1 48 GLY QA 1 54 PRO HA . . 3.020 1.892 1.735 1.963 . 0 0 "[ . 1 . 2]" 1
986 1 65 LYS HB2 1 86 ILE HA . . 4.170 3.205 2.375 3.941 . 0 0 "[ . 1 . 2]" 1
987 1 86 ILE HA 1 86 ILE HG13 . . 3.750 3.710 3.635 3.776 0.026 11 0 "[ . 1 . 2]" 1
988 1 86 ILE HA 1 86 ILE HG12 . . 3.400 2.779 2.521 2.930 . 0 0 "[ . 1 . 2]" 1
989 1 74 GLU H 1 74 GLU QB . . 3.580 2.155 2.070 2.272 . 0 0 "[ . 1 . 2]" 1
990 1 74 GLU QB 1 78 VAL QG . . 3.760 2.269 1.870 2.812 . 0 0 "[ . 1 . 2]" 1
991 1 74 GLU QB 1 75 ASP H . . 4.210 3.161 2.871 3.335 . 0 0 "[ . 1 . 2]" 1
992 1 74 GLU QB 1 78 VAL H . . 4.690 3.658 3.303 3.911 . 0 0 "[ . 1 . 2]" 1
993 1 72 LEU QD 1 74 GLU QB . . 4.060 3.584 3.395 3.727 . 0 0 "[ . 1 . 2]" 1
994 1 8 PRO HA 1 9 ASN H . . 2.910 2.813 2.770 3.455 0.545 19 1 "[ . 1 . +2]" 1
995 1 8 PRO HA 1 10 TYR H . . 4.570 4.321 4.061 4.591 0.021 1 0 "[ . 1 . 2]" 1
996 1 68 GLU H 1 68 GLU HB2 . . 3.920 2.431 2.320 2.602 . 0 0 "[ . 1 . 2]" 1
997 1 68 GLU HB2 1 84 GLU HB2 . . 3.870 3.119 2.509 3.880 0.010 9 0 "[ . 1 . 2]" 1
998 1 68 GLU HB2 1 84 GLU HB3 . . 4.250 2.944 2.245 3.559 . 0 0 "[ . 1 . 2]" 1
999 1 68 GLU HB3 1 84 GLU QG . . 3.980 3.521 2.411 4.672 0.692 8 1 "[ . + 1 . 2]" 1
1000 1 65 LYS HB3 1 68 GLU HB3 . . 3.890 3.836 3.319 4.178 0.288 8 0 "[ . 1 . 2]" 1
1001 1 122 ARG H 1 122 ARG HB2 . . 4.000 3.066 2.501 3.993 . 0 0 "[ . 1 . 2]" 1
1002 1 121 THR HA 1 122 ARG H . . 3.320 2.418 2.234 2.737 . 0 0 "[ . 1 . 2]" 1
1003 1 121 THR HA 1 121 THR MG . . 3.550 3.115 2.404 3.247 . 0 0 "[ . 1 . 2]" 1
1004 1 94 ARG HE 1 97 THR HA . . 4.530 3.280 1.926 4.751 0.221 15 0 "[ . 1 . 2]" 1
1005 1 94 ARG HG3 1 97 THR HA . . 4.690 4.639 2.092 5.486 0.796 15 3 "[ -. 1 * + 2]" 1
1006 1 53 PRO HB2 1 54 PRO HD2 . . 3.630 3.068 2.570 3.390 . 0 0 "[ . 1 . 2]" 1
1007 1 42 ARG HB2 1 43 ARG H . . 3.960 3.727 3.453 3.985 0.025 17 0 "[ . 1 . 2]" 1
1008 1 42 ARG HB2 1 66 VAL QG . . 4.320 2.905 2.566 3.211 . 0 0 "[ . 1 . 2]" 1
1009 1 42 ARG HB3 1 42 ARG HD3 . . 4.180 3.522 3.252 4.204 0.024 18 0 "[ . 1 . 2]" 1
1010 1 53 PRO HB3 1 54 PRO HD2 . . 3.790 3.277 2.996 3.478 . 0 0 "[ . 1 . 2]" 1
1011 1 65 LYS H 1 84 GLU HB2 . . 4.820 4.484 4.038 4.837 0.017 8 0 "[ . 1 . 2]" 1
1012 1 84 GLU H 1 84 GLU HB2 . . 3.790 2.748 2.335 3.271 . 0 0 "[ . 1 . 2]" 1
1013 1 68 GLU HB3 1 84 GLU HB2 . . 4.010 3.446 2.851 3.878 . 0 0 "[ . 1 . 2]" 1
1014 1 84 GLU H 1 84 GLU HB3 . . 3.730 3.079 2.481 3.596 . 0 0 "[ . 1 . 2]" 1
1015 1 65 LYS H 1 84 GLU HB3 . . 4.660 3.200 2.711 3.709 . 0 0 "[ . 1 . 2]" 1
1016 1 30 ARG H 1 30 ARG QB . . 3.010 2.130 2.064 2.241 . 0 0 "[ . 1 . 2]" 1
1017 1 30 ARG QB 1 76 GLY HA3 . . 4.020 3.177 2.730 3.805 . 0 0 "[ . 1 . 2]" 1
1018 1 125 VAL HA 1 126 SER H . . 3.150 2.546 2.183 3.139 . 0 0 "[ . 1 . 2]" 1
1019 1 125 VAL HA 1 125 VAL QG . . 3.340 2.244 2.059 2.405 . 0 0 "[ . 1 . 2]" 1
1020 1 29 PHE HA 1 30 ARG QB . . 4.470 4.316 4.169 4.444 . 0 0 "[ . 1 . 2]" 1
1021 1 104 THR HA 1 104 THR MG . . 3.230 2.692 2.236 3.239 0.009 11 0 "[ . 1 . 2]" 1
1022 1 43 ARG HG2 1 60 LEU H . . 3.990 3.348 2.373 4.059 0.069 8 0 "[ . 1 . 2]" 1
1023 1 43 ARG HE 1 43 ARG HG2 . . 3.780 2.294 2.072 3.033 . 0 0 "[ . 1 . 2]" 1
1024 1 43 ARG HE 1 43 ARG HG3 . . 4.100 3.141 2.904 3.579 . 0 0 "[ . 1 . 2]" 1
1025 1 40 ILE HA 1 41 GLN H . . 2.920 2.230 2.177 2.290 . 0 0 "[ . 1 . 2]" 1
1026 1 40 ILE HA 1 46 ARG H . . 4.210 3.827 2.978 4.249 0.039 19 0 "[ . 1 . 2]" 1
1027 1 40 ILE HA 1 45 LEU HA . . 3.900 2.960 2.336 3.411 . 0 0 "[ . 1 . 2]" 1
1028 1 39 ASP HA 1 40 ILE HA . . 4.640 4.470 4.433 4.575 . 0 0 "[ . 1 . 2]" 1
1029 1 40 ILE HA 1 40 ILE HG12 . . 4.020 2.540 2.382 2.776 . 0 0 "[ . 1 . 2]" 1
1030 1 40 ILE HA 1 45 LEU QD . . 3.020 2.252 1.927 3.022 0.002 8 0 "[ . 1 . 2]" 1
1031 1 40 ILE HA 1 40 ILE HG13 . . 3.700 2.838 2.653 3.021 . 0 0 "[ . 1 . 2]" 1
1032 1 101 GLU QB 1 102 ILE H . . 4.060 2.613 1.935 3.671 . 0 0 "[ . 1 . 2]" 1
1033 1 59 GLU QB 1 97 THR MG . . 4.120 3.221 2.439 3.874 . 0 0 "[ . 1 . 2]" 1
1034 1 82 HIS H 1 82 HIS HB2 . . 3.730 3.200 2.911 3.603 . 0 0 "[ . 1 . 2]" 1
1035 1 82 HIS HB3 1 83 LEU H . . 4.700 4.548 4.422 4.693 . 0 0 "[ . 1 . 2]" 1
1036 1 59 GLU QB 1 97 THR H . . 4.430 3.658 3.177 4.510 0.080 8 0 "[ . 1 . 2]" 1
1037 1 59 GLU H 1 59 GLU QB . . 3.210 2.209 2.151 2.243 . 0 0 "[ . 1 . 2]" 1
1038 1 59 GLU QB 1 60 LEU H . . 4.160 3.878 3.607 4.056 . 0 0 "[ . 1 . 2]" 1
1039 1 70 SER H 1 82 HIS HB2 . . 4.250 4.499 4.081 4.698 0.448 7 0 "[ . 1 . 2]" 1
1040 1 82 HIS H 1 82 HIS HB3 . . 3.820 2.542 2.286 2.692 . 0 0 "[ . 1 . 2]" 1
1041 1 52 GLN QB 1 53 PRO HD3 . . 4.050 2.940 2.703 3.003 . 0 0 "[ . 1 . 2]" 1
1042 1 49 LEU HB2 1 52 GLN QB . . 3.720 2.033 1.904 2.617 . 0 0 "[ . 1 . 2]" 1
1043 1 110 GLU HB2 1 111 ASN H . . 4.600 4.048 1.925 4.624 0.024 15 0 "[ . 1 . 2]" 1
1044 1 77 LYS HD2 1 78 VAL QG . . 4.710 2.864 1.947 4.311 . 0 0 "[ . 1 . 2]" 1
1045 1 77 LYS HB3 1 77 LYS HD3 . . 3.510 3.017 2.613 3.586 0.076 2 0 "[ . 1 . 2]" 1
1046 1 32 LYS QB 1 34 LYS HD3 . . 4.100 2.708 1.933 4.438 0.338 9 0 "[ . 1 . 2]" 1
1047 1 65 LYS HB2 1 65 LYS HD3 . . 4.010 2.359 2.227 2.492 . 0 0 "[ . 1 . 2]" 1
1048 1 37 VAL HA 1 38 VAL HA . . 4.520 4.378 4.366 4.394 . 0 0 "[ . 1 . 2]" 1
1049 1 38 VAL HA 1 39 ASP H . . 2.870 2.231 2.196 2.272 . 0 0 "[ . 1 . 2]" 1
1050 1 38 VAL HA 1 47 VAL HA . . 3.460 2.313 1.950 2.590 . 0 0 "[ . 1 . 2]" 1
1051 1 38 VAL HA 1 47 VAL MG1 . . 4.110 3.487 3.208 3.648 . 0 0 "[ . 1 . 2]" 1
1052 1 102 ILE HA 1 103 ASN H . . 2.710 2.452 2.262 2.587 . 0 0 "[ . 1 . 2]" 1
1053 1 102 ILE HA 1 102 ILE QG . . 3.670 2.581 2.390 3.307 . 0 0 "[ . 1 . 2]" 1
1054 1 102 ILE HA 1 102 ILE MG . . 3.140 2.290 2.102 2.465 . 0 0 "[ . 1 . 2]" 1
1055 1 37 VAL QG 1 50 LYS HD3 . . 4.160 4.032 3.683 4.234 0.074 16 0 "[ . 1 . 2]" 1
1056 1 37 VAL HA 1 38 VAL H . . 2.660 2.209 2.182 2.242 . 0 0 "[ . 1 . 2]" 1
1057 1 37 VAL HA 1 38 VAL HB . . 4.370 4.476 4.384 4.570 0.200 2 0 "[ . 1 . 2]" 1
1058 1 60 LEU HA 1 61 TYR HA . . 4.610 4.285 4.271 4.302 . 0 0 "[ . 1 . 2]" 1
1059 1 61 TYR HA 1 61 TYR QD . . 3.450 3.116 2.766 3.285 . 0 0 "[ . 1 . 2]" 1
1060 1 35 ASP HA 1 50 LYS HD2 . . 4.240 3.322 2.575 4.157 . 0 0 "[ . 1 . 2]" 1
1061 1 50 LYS HA 1 50 LYS HD2 . . 4.540 4.019 3.842 4.189 . 0 0 "[ . 1 . 2]" 1
1062 1 26 ARG QB 1 27 VAL HA . . 4.800 4.194 4.115 4.516 . 0 0 "[ . 1 . 2]" 1
1063 1 32 LYS HA 1 32 LYS HD2 . . 4.330 3.942 2.006 4.717 0.387 9 0 "[ . 1 . 2]" 1
1064 1 32 LYS QB 1 32 LYS HD2 . . 3.810 2.713 2.193 3.411 . 0 0 "[ . 1 . 2]" 1
1065 1 34 LYS H 1 34 LYS HD2 . . 4.220 3.947 3.094 4.417 0.197 9 0 "[ . 1 . 2]" 1
1066 1 113 LYS HA 1 113 LYS QD . . 4.350 3.757 2.623 4.298 . 0 0 "[ . 1 . 2]" 1
1067 1 106 LYS HA 1 106 LYS QD . . 3.880 3.425 2.363 3.860 . 0 0 "[ . 1 . 2]" 1
1068 1 107 ILE HA 1 107 ILE HG12 . . 4.100 3.376 2.698 3.989 . 0 0 "[ . 1 . 2]" 1
1069 1 107 ILE HA 1 107 ILE HG13 . . 3.810 3.104 2.214 4.203 0.393 19 0 "[ . 1 . 2]" 1
1070 1 107 ILE HA 1 107 ILE MG . . 3.270 2.301 1.964 2.523 . 0 0 "[ . 1 . 2]" 1
1071 1 92 TRP H 1 92 TRP HB3 . . 3.970 3.551 3.492 3.648 . 0 0 "[ . 1 . 2]" 1
1072 1 67 GLU H 1 67 GLU HB3 . . 3.680 3.468 3.270 3.564 . 0 0 "[ . 1 . 2]" 1
1073 1 67 GLU H 1 67 GLU HB2 . . 3.600 2.258 2.032 2.505 . 0 0 "[ . 1 . 2]" 1
1074 1 56 VAL HA 1 57 ASP H . . 2.810 2.219 2.182 2.278 . 0 0 "[ . 1 . 2]" 1
1075 1 73 ILE H 1 73 ILE HG12 . . 3.770 3.841 3.143 4.247 0.477 3 0 "[ . 1 . 2]" 1
1076 1 71 TRP HE3 1 73 ILE HG12 . . 4.460 4.050 3.369 4.762 0.302 19 0 "[ . 1 . 2]" 1
1077 1 71 TRP HZ3 1 73 ILE HG12 . . 3.690 2.685 1.990 3.544 . 0 0 "[ . 1 . 2]" 1
1078 1 73 ILE H 1 73 ILE HG13 . . 4.220 2.597 1.969 3.020 . 0 0 "[ . 1 . 2]" 1
1079 1 71 TRP HE3 1 73 ILE HG13 . . 4.730 3.542 3.151 4.302 . 0 0 "[ . 1 . 2]" 1
1080 1 71 TRP HZ3 1 73 ILE HG13 . . 3.940 2.497 1.988 3.151 . 0 0 "[ . 1 . 2]" 1
1081 1 36 VAL HA 1 37 VAL H . . 2.930 2.509 2.472 2.552 . 0 0 "[ . 1 . 2]" 1
1082 1 36 VAL HA 1 50 LYS H . . 3.450 2.376 2.157 2.589 . 0 0 "[ . 1 . 2]" 1
1083 1 36 VAL HA 1 49 LEU QD . . 3.990 2.438 2.101 2.947 . 0 0 "[ . 1 . 2]" 1
1084 1 52 GLN HA 1 53 PRO HG2 . . 4.590 4.862 4.819 4.898 0.308 20 0 "[ . 1 . 2]" 1
1085 1 30 ARG HA 1 30 ARG HG2 . . 3.780 3.115 2.686 3.570 . 0 0 "[ . 1 . 2]" 1
1086 1 30 ARG HG2 1 76 GLY HA3 . . 4.090 2.562 1.987 3.907 . 0 0 "[ . 1 . 2]" 1
1087 1 30 ARG HG3 1 76 GLY HA3 . . 4.260 2.572 1.996 2.968 . 0 0 "[ . 1 . 2]" 1
1088 1 65 LYS H 1 86 ILE HG13 . . 4.620 4.338 4.030 4.593 . 0 0 "[ . 1 . 2]" 1
1089 1 86 ILE H 1 86 ILE HG13 . . 3.860 3.486 3.265 3.634 . 0 0 "[ . 1 . 2]" 1
1090 1 64 VAL HA 1 86 ILE HG13 . . 4.140 3.629 3.307 4.156 0.016 15 0 "[ . 1 . 2]" 1
1091 1 63 GLU HB3 1 86 ILE HG13 . . 3.900 2.213 1.980 2.431 . 0 0 "[ . 1 . 2]" 1
1092 1 63 GLU HB2 1 86 ILE HG13 . . 3.910 2.437 1.986 2.799 . 0 0 "[ . 1 . 2]" 1
1093 1 65 LYS H 1 86 ILE HG12 . . 4.520 2.829 2.415 3.070 . 0 0 "[ . 1 . 2]" 1
1094 1 86 ILE H 1 86 ILE HG12 . . 3.780 2.343 2.037 2.754 . 0 0 "[ . 1 . 2]" 1
1095 1 64 VAL HA 1 86 ILE HG12 . . 4.140 2.185 1.977 2.801 . 0 0 "[ . 1 . 2]" 1
1096 1 63 GLU HB3 1 86 ILE HG12 . . 4.400 3.390 2.863 3.734 . 0 0 "[ . 1 . 2]" 1
1097 1 65 LYS HB2 1 86 ILE HG12 . . 4.350 3.878 3.037 4.296 . 0 0 "[ . 1 . 2]" 1
1098 1 86 ILE HG12 1 86 ILE MG . . 3.480 3.221 3.182 3.237 . 0 0 "[ . 1 . 2]" 1
1099 1 46 ARG HG3 1 57 ASP QB . . 4.500 2.428 2.014 2.901 . 0 0 "[ . 1 . 2]" 1
1100 1 46 ARG HG3 1 47 VAL H . . 4.190 4.043 3.428 4.353 0.163 19 0 "[ . 1 . 2]" 1
1101 1 21 LEU HG 1 22 ALA H . . 4.420 3.654 2.900 4.449 0.029 11 0 "[ . 1 . 2]" 1
1102 1 21 LEU HG 1 81 VAL MG2 . . 4.610 3.223 2.428 3.916 . 0 0 "[ . 1 . 2]" 1
1103 1 46 ARG HG2 1 47 VAL H . . 4.100 3.271 2.648 3.971 . 0 0 "[ . 1 . 2]" 1
1104 1 46 ARG HA 1 46 ARG HG2 . . 4.070 2.664 2.403 2.928 . 0 0 "[ . 1 . 2]" 1
1105 1 46 ARG HG2 1 57 ASP QB . . 4.750 3.348 2.740 4.064 . 0 0 "[ . 1 . 2]" 1
1106 1 37 VAL QG 1 46 ARG HG2 . . 4.240 3.845 3.143 4.216 . 0 0 "[ . 1 . 2]" 1
1107 1 45 LEU HG 1 56 VAL MG1 . . 4.260 2.602 1.803 4.293 0.033 16 0 "[ . 1 . 2]" 1
1108 1 46 ARG QD 1 54 PRO HG3 . . 4.400 3.139 2.829 3.537 . 0 0 "[ . 1 . 2]" 1
1109 1 57 ASP QB 1 100 PRO QG . . 3.980 3.237 1.965 3.869 . 0 0 "[ . 1 . 2]" 1
1110 1 46 ARG QD 1 54 PRO HG2 . . 4.070 4.090 3.794 4.200 0.130 18 0 "[ . 1 . 2]" 1
1111 1 54 PRO HG2 1 57 ASP QB . . 3.890 2.962 2.736 3.205 . 0 0 "[ . 1 . 2]" 1
1112 1 67 GLU HA 1 69 SER H . . 4.360 3.899 3.540 4.338 . 0 0 "[ . 1 . 2]" 1
1113 1 67 GLU HA 1 67 GLU HG3 . . 3.210 3.038 2.421 3.485 0.275 6 0 "[ . 1 . 2]" 1
1114 1 67 GLU HA 1 67 GLU HB3 . . 2.980 2.674 2.499 2.858 . 0 0 "[ . 1 . 2]" 1
1115 1 66 VAL QG 1 67 GLU HA . . 3.900 3.111 2.862 3.991 0.091 9 0 "[ . 1 . 2]" 1
1116 1 99 ASP HA 1 100 PRO QG . . 4.210 4.022 3.909 4.168 . 0 0 "[ . 1 . 2]" 1
1117 1 99 ASP QB 1 100 PRO QG . . 4.380 3.914 3.679 4.243 . 0 0 "[ . 1 . 2]" 1
1118 1 60 LEU H 1 60 LEU HG . . 3.940 2.493 2.009 3.419 . 0 0 "[ . 1 . 2]" 1
1119 1 43 ARG HA 1 60 LEU HG . . 4.630 3.864 2.856 4.481 . 0 0 "[ . 1 . 2]" 1
1120 1 60 LEU QD 1 64 VAL H . . 4.540 4.002 3.460 4.269 . 0 0 "[ . 1 . 2]" 1
1121 1 45 LEU H 1 60 LEU QD . . 3.970 3.143 1.819 3.566 . 0 0 "[ . 1 . 2]" 1
1122 1 60 LEU QD 1 61 TYR H . . 3.590 3.058 2.717 3.401 . 0 0 "[ . 1 . 2]" 1
1123 1 60 LEU QD 1 92 TRP HH2 . . 3.470 2.430 1.833 2.946 . 0 0 "[ . 1 . 2]" 1
1124 1 45 LEU HA 1 60 LEU QD . . 4.350 3.571 3.152 3.846 . 0 0 "[ . 1 . 2]" 1
1125 1 44 HIS HA 1 60 LEU QD . . 3.730 3.019 1.876 3.515 . 0 0 "[ . 1 . 2]" 1
1126 1 43 ARG HA 1 60 LEU QD . . 3.360 2.777 2.226 3.276 . 0 0 "[ . 1 . 2]" 1
1127 1 60 LEU HA 1 60 LEU QD . . 2.900 2.117 1.936 2.291 . 0 0 "[ . 1 . 2]" 1
1128 1 60 LEU HB3 1 60 LEU QD . . 3.170 2.109 2.053 2.156 . 0 0 "[ . 1 . 2]" 1
1129 1 60 LEU HB2 1 60 LEU QD . . 3.080 2.307 2.160 2.595 . 0 0 "[ . 1 . 2]" 1
1130 1 60 LEU QD 1 64 VAL MG2 . . 2.900 1.839 1.684 2.227 . 0 0 "[ . 1 . 2]" 1
1131 1 40 ILE H 1 40 ILE HG13 . . 4.310 2.668 1.973 2.985 . 0 0 "[ . 1 . 2]" 1
1132 1 10 TYR QD 1 21 LEU QD . . 3.150 2.197 1.902 2.722 . 0 0 "[ . 1 . 2]" 1
1133 1 21 LEU QD 1 81 VAL HB . . 3.490 2.076 1.935 2.384 . 0 0 "[ . 1 . 2]" 1
1134 1 119 SER HA 1 120 GLU H . . 3.440 2.582 2.216 3.607 0.167 14 0 "[ . 1 . 2]" 1
1135 1 16 LEU HA 1 85 LYS QZ . . 3.880 2.291 1.976 2.820 . 0 0 "[ . 1 . 2]" 1
1136 1 16 LEU HA 1 91 TRP HE3 . . 4.350 3.936 2.863 4.433 0.083 5 0 "[ . 1 . 2]" 1
1137 1 109 PRO QG 1 110 GLU H . . 4.500 2.682 2.210 4.633 0.133 14 0 "[ . 1 . 2]" 1
1138 1 42 ARG HA 1 42 ARG HG3 . . 3.690 2.803 2.535 2.983 . 0 0 "[ . 1 . 2]" 1
1139 1 42 ARG HG3 1 66 VAL QG . . 4.300 4.007 3.778 4.235 . 0 0 "[ . 1 . 2]" 1
1140 1 42 ARG HG3 1 64 VAL MG2 . . 4.420 4.107 3.879 4.345 . 0 0 "[ . 1 . 2]" 1
1141 1 42 ARG HG2 1 64 VAL H . . 4.700 4.314 3.972 4.723 0.023 7 0 "[ . 1 . 2]" 1
1142 1 42 ARG HG2 1 43 ARG H . . 4.560 4.270 3.418 4.577 0.017 19 0 "[ . 1 . 2]" 1
1143 1 42 ARG HE 1 42 ARG HG2 . . 4.140 2.867 2.083 3.601 . 0 0 "[ . 1 . 2]" 1
1144 1 42 ARG HG2 1 66 VAL QG . . 4.800 4.490 4.269 4.730 . 0 0 "[ . 1 . 2]" 1
1145 1 42 ARG HG2 1 86 ILE MD . . 4.650 4.643 4.304 4.720 0.070 19 0 "[ . 1 . 2]" 1
1146 1 16 LEU H 1 16 LEU HG . . 3.840 3.450 2.596 3.981 0.141 1 0 "[ . 1 . 2]" 1
1147 1 102 ILE H 1 102 ILE QG . . 3.700 2.284 1.881 2.575 . 0 0 "[ . 1 . 2]" 1
1148 1 11 ARG H 1 11 ARG HG2 . . 3.850 2.878 1.940 3.963 0.113 16 0 "[ . 1 . 2]" 1
1149 1 11 ARG H 1 11 ARG HG3 . . 3.950 2.675 1.990 3.688 . 0 0 "[ . 1 . 2]" 1
1150 1 26 ARG HA 1 26 ARG HG2 . . 3.780 2.188 1.985 3.595 . 0 0 "[ . 1 . 2]" 1
1151 1 107 ILE H 1 107 ILE HG13 . . 3.990 2.666 1.901 4.000 0.010 19 0 "[ . 1 . 2]" 1
1152 1 11 ARG H 1 23 VAL HA . . 4.460 3.735 3.382 3.991 . 0 0 "[ . 1 . 2]" 1
1153 1 10 TYR HA 1 23 VAL HA . . 3.840 3.473 3.049 3.763 . 0 0 "[ . 1 . 2]" 1
1154 1 10 TYR HB2 1 23 VAL HA . . 4.000 3.044 2.721 3.316 . 0 0 "[ . 1 . 2]" 1
1155 1 23 VAL HA 1 24 PRO HG2 . . 4.410 4.350 4.346 4.357 . 0 0 "[ . 1 . 2]" 1
1156 1 23 VAL HA 1 24 PRO HG3 . . 4.510 4.305 4.283 4.336 . 0 0 "[ . 1 . 2]" 1
1157 1 42 ARG HA 1 42 ARG HD3 . . 4.470 2.685 1.977 4.015 . 0 0 "[ . 1 . 2]" 1
1158 1 42 ARG HA 1 64 VAL H . . 3.770 2.992 2.639 3.823 0.053 14 0 "[ . 1 . 2]" 1
1159 1 41 GLN HA 1 42 ARG HA . . 4.370 4.252 4.239 4.282 . 0 0 "[ . 1 . 2]" 1
1160 1 42 ARG HA 1 42 ARG HB2 . . 3.030 2.521 2.465 2.611 . 0 0 "[ . 1 . 2]" 1
1161 1 42 ARG HA 1 42 ARG HG2 . . 3.890 3.773 3.708 3.857 . 0 0 "[ . 1 . 2]" 1
1162 1 114 LEU H 1 114 LEU HG . . 3.960 3.495 2.181 4.042 0.082 9 0 "[ . 1 . 2]" 1
1163 1 45 LEU QD 1 83 LEU QD . . 2.990 1.726 1.578 2.045 . 0 0 "[ . 1 . 2]" 1
1164 1 117 LEU H 1 117 LEU HG . . 3.900 3.361 2.322 3.995 0.095 9 0 "[ . 1 . 2]" 1
1165 1 19 LEU H 1 19 LEU HG . . 4.610 3.975 3.769 4.620 0.010 19 0 "[ . 1 . 2]" 1
1166 1 19 LEU HG 1 85 LYS HE3 . . 4.500 2.426 1.982 4.504 0.004 19 0 "[ . 1 . 2]" 1
1167 1 95 LEU HG 1 96 VAL QG . . 4.410 3.557 2.866 4.247 . 0 0 "[ . 1 . 2]" 1
1168 1 95 LEU H 1 95 LEU QD . . 4.370 3.531 3.324 3.658 . 0 0 "[ . 1 . 2]" 1
1169 1 92 TRP HZ3 1 95 LEU QD . . 3.190 2.864 2.196 3.300 0.110 15 0 "[ . 1 . 2]" 1
1170 1 95 LEU QD 1 96 VAL H . . 4.090 3.155 2.626 3.859 . 0 0 "[ . 1 . 2]" 1
1171 1 10 TYR QE 1 95 LEU QD . . 3.680 2.907 1.993 3.499 . 0 0 "[ . 1 . 2]" 1
1172 1 95 LEU HA 1 95 LEU QD . . 2.980 2.059 1.899 2.301 . 0 0 "[ . 1 . 2]" 1
1173 1 12 TRP QB 1 95 LEU QD . . 4.210 2.395 1.854 2.828 . 0 0 "[ . 1 . 2]" 1
1174 1 95 LEU HB3 1 95 LEU QD . . 3.210 2.185 2.021 2.291 . 0 0 "[ . 1 . 2]" 1
1175 1 60 LEU QD 1 95 LEU QD . . 3.150 2.320 1.773 2.934 . 0 0 "[ . 1 . 2]" 1
1176 1 95 LEU QD 1 96 VAL QG . . 3.060 1.974 1.600 2.800 . 0 0 "[ . 1 . 2]" 1
1177 1 112 SER HA 1 113 LYS H . . 3.070 2.480 2.216 2.995 . 0 0 "[ . 1 . 2]" 1
1178 1 24 PRO HG2 1 78 VAL QG . . 4.570 4.209 3.893 4.414 . 0 0 "[ . 1 . 2]" 1
1179 1 24 PRO HG3 1 78 VAL QG . . 4.300 3.427 3.188 3.556 . 0 0 "[ . 1 . 2]" 1
1180 1 19 LEU H 1 19 LEU QD . . 3.940 3.652 3.160 3.738 . 0 0 "[ . 1 . 2]" 1
1181 1 19 LEU QD 1 92 TRP HE3 . . 4.000 2.676 2.451 3.229 . 0 0 "[ . 1 . 2]" 1
1182 1 19 LEU QD 1 85 LYS QZ . . 4.610 2.961 2.608 3.267 . 0 0 "[ . 1 . 2]" 1
1183 1 19 LEU QD 1 92 TRP HZ3 . . 3.760 2.632 2.231 3.315 . 0 0 "[ . 1 . 2]" 1
1184 1 19 LEU QD 1 92 TRP HH2 . . 4.490 2.946 2.164 3.878 . 0 0 "[ . 1 . 2]" 1
1185 1 12 TRP HZ3 1 19 LEU QD . . 3.730 2.010 1.787 2.272 . 0 0 "[ . 1 . 2]" 1
1186 1 19 LEU HA 1 19 LEU QD . . 4.100 2.566 1.899 2.725 . 0 0 "[ . 1 . 2]" 1
1187 1 14 GLN HB2 1 19 LEU QD . . 4.360 3.178 2.905 3.572 . 0 0 "[ . 1 . 2]" 1
1188 1 19 LEU QD 1 85 LYS HE3 . . 3.750 2.047 1.799 2.474 . 0 0 "[ . 1 . 2]" 1
1189 1 14 GLN HB3 1 19 LEU QD . . 3.710 2.052 1.904 2.381 . 0 0 "[ . 1 . 2]" 1
1190 1 19 LEU QD 1 83 LEU HB2 . . 3.890 2.953 2.703 3.236 . 0 0 "[ . 1 . 2]" 1
1191 1 123 SER HA 1 124 MET H . . 2.930 2.518 2.298 2.619 . 0 0 "[ . 1 . 2]" 1
1192 1 85 LYS HG2 1 92 TRP HZ2 . . 4.610 2.673 1.995 3.373 . 0 0 "[ . 1 . 2]" 1
1193 1 19 LEU QD 1 85 LYS HG2 . . 4.310 2.666 1.990 3.144 . 0 0 "[ . 1 . 2]" 1
1194 1 81 VAL MG1 1 83 LEU HG . . 3.640 3.059 2.063 3.620 . 0 0 "[ . 1 . 2]" 1
1195 1 126 SER HA 1 127 GLY H . . 3.380 2.391 2.220 3.045 . 0 0 "[ . 1 . 2]" 1
1196 1 50 LYS HA 1 51 GLY H . . 2.780 2.197 2.176 2.228 . 0 0 "[ . 1 . 2]" 1
1197 1 50 LYS HA 1 50 LYS HG3 . . 3.580 2.066 1.985 2.177 . 0 0 "[ . 1 . 2]" 1
1198 1 83 LEU H 1 83 LEU QD . . 4.150 2.495 1.918 3.444 . 0 0 "[ . 1 . 2]" 1
1199 1 12 TRP QB 1 19 LEU QD . . 4.570 3.358 3.202 3.612 . 0 0 "[ . 1 . 2]" 1
1200 1 19 LEU QD 1 92 TRP HB3 . . 4.310 3.868 3.565 4.970 0.660 9 1 "[ . +1 . 2]" 1
1201 1 12 TRP HE3 1 19 LEU QD . . 3.640 2.041 1.913 2.194 . 0 0 "[ . 1 . 2]" 1
1202 1 65 LYS H 1 85 LYS HA . . 4.290 3.677 3.343 4.086 . 0 0 "[ . 1 . 2]" 1
1203 1 85 LYS HA 1 86 ILE H . . 3.220 2.310 2.185 2.433 . 0 0 "[ . 1 . 2]" 1
1204 1 64 VAL HA 1 85 LYS HA . . 3.450 2.574 2.259 2.819 . 0 0 "[ . 1 . 2]" 1
1205 1 64 VAL HB 1 85 LYS HA . . 4.400 3.708 3.257 4.061 . 0 0 "[ . 1 . 2]" 1
1206 1 64 VAL MG2 1 85 LYS HA . . 4.690 4.626 4.352 4.725 0.035 5 0 "[ . 1 . 2]" 1
1207 1 85 LYS HA 1 85 LYS HG3 . . 4.100 2.811 2.550 3.125 . 0 0 "[ . 1 . 2]" 1
1208 1 19 LEU QD 1 83 LEU QD . . 3.510 2.897 2.637 3.079 . 0 0 "[ . 1 . 2]" 1
1209 1 98 SER HA 1 99 ASP H . . 3.060 2.310 2.217 3.188 0.128 4 0 "[ . 1 . 2]" 1
1210 1 98 SER HA 1 98 SER HB3 . . 3.010 2.655 2.351 3.011 0.001 9 0 "[ . 1 . 2]" 1
1211 1 64 VAL MG1 1 85 LYS HA . . 3.450 2.027 1.935 2.264 . 0 0 "[ . 1 . 2]" 1
1212 1 31 LEU H 1 31 LEU QD . . 3.940 2.928 1.784 3.421 . 0 0 "[ . 1 . 2]" 1
1213 1 29 PHE QD 1 31 LEU QD . . 3.970 3.147 2.377 3.547 . 0 0 "[ . 1 . 2]" 1
1214 1 31 LEU HA 1 31 LEU QD . . 2.950 2.164 1.949 2.549 . 0 0 "[ . 1 . 2]" 1
1215 1 31 LEU QD 1 49 LEU QD . . 3.130 1.774 1.516 2.453 . 0 0 "[ . 1 . 2]" 1
1216 1 25 PHE QD 1 31 LEU QD . . 3.720 2.216 1.808 3.020 . 0 0 "[ . 1 . 2]" 1
1217 1 25 PHE QB 1 31 LEU QD . . 3.530 2.415 2.042 2.924 . 0 0 "[ . 1 . 2]" 1
1218 1 31 LEU QD 1 73 ILE MG . . 3.330 3.054 2.214 3.285 . 0 0 "[ . 1 . 2]" 1
1219 1 94 ARG H 1 94 ARG HG2 . . 3.920 3.864 2.858 4.226 0.306 13 0 "[ . 1 . 2]" 1
1220 1 61 TYR QD 1 94 ARG HG2 . . 4.140 3.962 2.557 4.526 0.386 15 0 "[ . 1 . 2]" 1
1221 1 93 ASN QB 1 94 ARG HG2 . . 4.640 3.687 3.261 4.649 0.009 19 0 "[ . 1 . 2]" 1
1222 1 17 ALA HA 1 88 LYS QG . . 4.040 3.275 1.968 4.085 0.045 19 0 "[ . 1 . 2]" 1
1223 1 65 LYS HG2 1 67 GLU H . . 4.190 3.623 3.089 4.197 0.007 9 0 "[ . 1 . 2]" 1
1224 1 65 LYS HG2 1 66 VAL H . . 4.720 4.416 4.067 4.704 . 0 0 "[ . 1 . 2]" 1
1225 1 65 LYS H 1 65 LYS HG2 . . 4.600 4.609 4.563 4.623 0.023 17 0 "[ . 1 . 2]" 1
1226 1 65 LYS HA 1 65 LYS HG2 . . 3.980 3.345 3.197 3.480 . 0 0 "[ . 1 . 2]" 1
1227 1 65 LYS HG2 1 68 GLU QG . . 4.030 2.070 1.971 2.521 . 0 0 "[ . 1 . 2]" 1
1228 1 65 LYS HG2 1 86 ILE MD . . 4.230 4.203 3.962 4.360 0.130 10 0 "[ . 1 . 2]" 1
1229 1 94 ARG HE 1 94 ARG HG3 . . 4.050 3.371 2.637 3.851 . 0 0 "[ . 1 . 2]" 1
1230 1 61 TYR QD 1 94 ARG HG3 . . 4.220 3.393 2.054 4.301 0.081 7 0 "[ . 1 . 2]" 1
1231 1 65 LYS HG3 1 67 GLU H . . 4.060 3.123 2.444 3.791 . 0 0 "[ . 1 . 2]" 1
1232 1 65 LYS HG3 1 66 VAL H . . 4.510 3.320 2.936 3.663 . 0 0 "[ . 1 . 2]" 1
1233 1 65 LYS HG3 1 68 GLU H . . 3.950 3.493 3.089 3.962 0.012 19 0 "[ . 1 . 2]" 1
1234 1 65 LYS HG3 1 86 ILE MD . . 4.350 3.235 2.846 3.467 . 0 0 "[ . 1 . 2]" 1
1235 1 49 LEU QD 1 52 GLN HE21 . . 4.510 2.755 2.099 4.520 0.010 2 0 "[ . 1 . 2]" 1
1236 1 34 LYS HA 1 36 VAL H . . 4.020 3.604 3.347 3.994 . 0 0 "[ . 1 . 2]" 1
1237 1 34 LYS HA 1 34 LYS QB . . 2.680 2.171 2.158 2.174 . 0 0 "[ . 1 . 2]" 1
1238 1 34 LYS HA 1 34 LYS HD2 . . 4.870 4.570 4.280 5.459 0.589 9 1 "[ . +1 . 2]" 1
1239 1 34 LYS HA 1 34 LYS QG . . 3.740 3.320 3.269 3.392 . 0 0 "[ . 1 . 2]" 1
1240 1 92 TRP HE3 1 95 LEU HA . . 3.160 2.631 1.976 3.212 0.052 15 0 "[ . 1 . 2]" 1
1241 1 12 TRP HZ2 1 95 LEU HA . . 4.650 4.290 3.911 4.583 . 0 0 "[ . 1 . 2]" 1
1242 1 92 TRP HZ3 1 95 LEU HA . . 3.920 3.568 2.821 4.098 0.178 15 0 "[ . 1 . 2]" 1
1243 1 95 LEU HA 1 95 LEU HG . . 3.900 3.467 2.667 3.770 . 0 0 "[ . 1 . 2]" 1
1244 1 19 LEU QD 1 95 LEU HA . . 4.600 3.336 3.026 3.631 . 0 0 "[ . 1 . 2]" 1
1245 1 16 LEU H 1 16 LEU QD . . 4.030 2.560 1.739 3.642 . 0 0 "[ . 1 . 2]" 1
1246 1 16 LEU QD 1 91 TRP HE3 . . 3.780 2.310 1.837 3.439 . 0 0 "[ . 1 . 2]" 1
1247 1 16 LEU HA 1 16 LEU QD . . 3.270 2.208 1.894 2.702 . 0 0 "[ . 1 . 2]" 1
1248 1 72 LEU QD 1 74 GLU HG2 . . 3.650 2.265 1.907 2.692 . 0 0 "[ . 1 . 2]" 1
1249 1 25 PHE QD 1 49 LEU QD . . 3.450 2.224 1.924 2.442 . 0 0 "[ . 1 . 2]" 1
1250 1 49 LEU QD 1 52 GLN HE22 . . 4.290 3.703 2.626 4.235 . 0 0 "[ . 1 . 2]" 1
1251 1 25 PHE QB 1 49 LEU QD . . 3.870 2.488 2.054 3.238 . 0 0 "[ . 1 . 2]" 1
1252 1 49 LEU QD 1 52 GLN QG . . 3.730 3.573 3.307 3.647 . 0 0 "[ . 1 . 2]" 1
1253 1 49 LEU QD 1 52 GLN QB . . 4.160 3.183 2.722 3.443 . 0 0 "[ . 1 . 2]" 1
1254 1 72 LEU QD 1 80 THR H . . 4.610 3.583 2.673 4.084 . 0 0 "[ . 1 . 2]" 1
1255 1 72 LEU QD 1 74 GLU HA . . 4.180 2.790 2.375 3.455 . 0 0 "[ . 1 . 2]" 1
1256 1 120 GLU HA 1 121 THR H . . 3.390 2.585 2.206 3.141 . 0 0 "[ . 1 . 2]" 1
1257 1 120 GLU HA 1 120 GLU HG3 . . 4.200 3.232 2.545 3.956 . 0 0 "[ . 1 . 2]" 1
1258 1 50 LYS HE2 1 50 LYS HG3 . . 4.040 2.576 2.011 3.193 . 0 0 "[ . 1 . 2]" 1
1259 1 50 LYS HA 1 50 LYS HG2 . . 3.840 2.910 2.794 3.002 . 0 0 "[ . 1 . 2]" 1
1260 1 50 LYS HE2 1 50 LYS HG2 . . 4.110 2.641 2.252 3.458 . 0 0 "[ . 1 . 2]" 1
1261 1 110 GLU HA 1 111 ASN H . . 3.090 2.463 2.201 3.215 0.125 16 0 "[ . 1 . 2]" 1
1262 1 110 GLU HA 1 110 GLU HG3 . . 3.890 3.065 2.014 4.086 0.196 5 0 "[ . 1 . 2]" 1
1263 1 32 LYS HA 1 32 LYS HG2 . . 3.870 2.624 2.071 3.519 . 0 0 "[ . 1 . 2]" 1
1264 1 32 LYS H 1 32 LYS HG2 . . 4.160 3.574 2.601 4.275 0.115 15 0 "[ . 1 . 2]" 1
1265 1 32 LYS H 1 32 LYS HG3 . . 4.230 3.482 2.680 4.141 . 0 0 "[ . 1 . 2]" 1
1266 1 32 LYS HD3 1 32 LYS HG3 . . 2.920 2.858 2.471 3.055 0.135 2 0 "[ . 1 . 2]" 1
1267 1 50 LYS HG3 1 51 GLY H . . 4.180 3.531 3.123 4.166 . 0 0 "[ . 1 . 2]" 1
1268 1 50 LYS HG2 1 51 GLY H . . 4.260 3.570 3.057 4.286 0.026 16 0 "[ . 1 . 2]" 1
1269 1 12 TRP HD1 1 21 LEU QD . . 4.280 3.967 3.676 4.250 . 0 0 "[ . 1 . 2]" 1
1270 1 105 LYS HA 1 105 LYS QG . . 3.890 2.595 1.977 3.324 . 0 0 "[ . 1 . 2]" 1
1271 1 10 TYR HA 1 21 LEU QD . . 4.510 4.411 4.300 4.464 . 0 0 "[ . 1 . 2]" 1
1272 1 21 LEU QD 1 22 ALA H . . 3.340 1.863 1.740 1.976 . 0 0 "[ . 1 . 2]" 1
1273 1 11 ARG H 1 21 LEU QD . . 3.760 3.452 3.234 3.710 . 0 0 "[ . 1 . 2]" 1
1274 1 12 TRP HA 1 21 LEU QD . . 3.970 3.023 2.752 3.304 . 0 0 "[ . 1 . 2]" 1
1275 1 21 LEU HA 1 21 LEU QD . . 3.440 2.200 1.982 2.539 . 0 0 "[ . 1 . 2]" 1
1276 1 12 TRP QB 1 21 LEU QD . . 3.340 2.005 1.918 2.147 . 0 0 "[ . 1 . 2]" 1
1277 1 10 TYR HB2 1 21 LEU QD . . 3.420 2.488 2.327 2.656 . 0 0 "[ . 1 . 2]" 1
1278 1 101 GLU HA 1 101 GLU HG3 . . 3.710 3.491 2.957 3.829 0.119 3 0 "[ . 1 . 2]" 1
1279 1 101 GLU HA 1 102 ILE QG . . 4.620 4.239 3.272 4.530 . 0 0 "[ . 1 . 2]" 1
1280 1 70 SER H 1 83 LEU QD . . 4.320 3.779 3.343 4.208 . 0 0 "[ . 1 . 2]" 1
1281 1 64 VAL HB 1 83 LEU QD . . 4.240 3.760 2.903 4.133 . 0 0 "[ . 1 . 2]" 1
1282 1 83 LEU QD 1 84 GLU H . . 3.950 3.457 2.938 3.692 . 0 0 "[ . 1 . 2]" 1
1283 1 69 SER HA 1 83 LEU QD . . 4.370 3.883 3.461 4.282 . 0 0 "[ . 1 . 2]" 1
1284 1 69 SER HB3 1 83 LEU QD . . 3.380 2.870 2.336 3.777 0.397 4 0 "[ . 1 . 2]" 1
1285 1 69 SER HB2 1 83 LEU QD . . 3.850 3.483 2.259 3.858 0.008 10 0 "[ . 1 . 2]" 1
1286 1 31 LEU QD 1 32 LYS H . . 3.780 3.137 2.520 3.609 . 0 0 "[ . 1 . 2]" 1
1287 1 29 PHE QE 1 31 LEU QD . . 3.330 1.994 1.810 2.311 . 0 0 "[ . 1 . 2]" 1
1288 1 31 LEU QD 1 35 ASP QB . . 3.140 2.558 1.852 3.176 0.036 15 0 "[ . 1 . 2]" 1
1289 1 122 ARG HA 1 123 SER H . . 2.930 2.441 2.226 2.723 . 0 0 "[ . 1 . 2]" 1
1290 1 113 LYS HA 1 114 LEU H . . 3.030 2.518 2.178 2.774 . 0 0 "[ . 1 . 2]" 1
1291 1 122 ARG HA 1 122 ARG QG . . 3.660 2.358 1.965 3.430 . 0 0 "[ . 1 . 2]" 1
1292 1 105 LYS HA 1 106 LYS H . . 2.810 2.469 2.200 2.738 . 0 0 "[ . 1 . 2]" 1
1293 1 91 TRP HA 1 92 TRP H . . 2.990 2.262 2.205 2.464 . 0 0 "[ . 1 . 2]" 1
1294 1 91 TRP HA 1 91 TRP HE3 . . 3.620 2.819 2.210 3.442 . 0 0 "[ . 1 . 2]" 1
1295 1 92 TRP HA 1 92 TRP HD1 . . 3.750 2.594 2.283 2.814 . 0 0 "[ . 1 . 2]" 1
1296 1 92 TRP HA 1 94 ARG H . . 4.150 3.691 3.361 4.070 . 0 0 "[ . 1 . 2]" 1
1297 1 61 TYR QE 1 92 TRP HA . . 3.790 3.374 2.694 3.993 0.203 12 0 "[ . 1 . 2]" 1
1298 1 92 TRP HA 1 93 ASN H . . 3.030 2.335 2.205 2.513 . 0 0 "[ . 1 . 2]" 1
1299 1 61 TYR QD 1 92 TRP HA . . 4.060 3.454 2.848 3.853 . 0 0 "[ . 1 . 2]" 1
1300 1 113 LYS HA 1 113 LYS HG3 . . 3.970 3.092 2.011 3.699 . 0 0 "[ . 1 . 2]" 1
1301 1 77 LYS HG3 1 78 VAL H . . 4.700 1.964 1.848 2.441 . 0 0 "[ . 1 . 2]" 1
1302 1 77 LYS H 1 77 LYS HG3 . . 3.980 2.685 2.235 3.535 . 0 0 "[ . 1 . 2]" 1
1303 1 77 LYS HG3 1 78 VAL QG . . 3.790 2.032 1.753 2.767 . 0 0 "[ . 1 . 2]" 1
1304 1 77 LYS HG2 1 78 VAL H . . 4.550 3.035 2.038 3.714 . 0 0 "[ . 1 . 2]" 1
1305 1 77 LYS H 1 77 LYS HG2 . . 3.940 2.757 2.244 3.694 . 0 0 "[ . 1 . 2]" 1
1306 1 77 LYS HG2 1 78 VAL QG . . 3.990 3.293 2.587 3.937 . 0 0 "[ . 1 . 2]" 1
1307 1 30 ARG HA 1 31 LEU H . . 2.720 2.257 2.225 2.320 . 0 0 "[ . 1 . 2]" 1
1308 1 30 ARG HA 1 76 GLY HA3 . . 3.880 2.709 1.993 3.595 . 0 0 "[ . 1 . 2]" 1
1309 1 30 ARG HA 1 76 GLY HA2 . . 4.330 3.808 3.258 4.340 0.010 14 0 "[ . 1 . 2]" 1
1310 1 30 ARG HA 1 30 ARG HG3 . . 3.550 2.191 2.008 3.109 . 0 0 "[ . 1 . 2]" 1
1311 1 30 ARG HA 1 31 LEU HB2 . . 4.380 4.372 4.231 4.524 0.144 9 0 "[ . 1 . 2]" 1
1312 1 41 GLN H 1 45 LEU QD . . 4.160 3.375 2.790 4.074 . 0 0 "[ . 1 . 2]" 1
1313 1 106 LYS HA 1 107 ILE H . . 2.810 2.406 2.177 2.766 . 0 0 "[ . 1 . 2]" 1
1314 1 39 ASP H 1 45 LEU QD . . 3.980 3.819 3.477 3.983 0.003 17 0 "[ . 1 . 2]" 1
1315 1 40 ILE H 1 45 LEU QD . . 4.490 4.103 3.811 4.455 . 0 0 "[ . 1 . 2]" 1
1316 1 45 LEU HA 1 45 LEU QD . . 3.010 2.013 1.866 2.648 . 0 0 "[ . 1 . 2]" 1
1317 1 117 LEU HA 1 118 ASP H . . 3.180 2.412 2.179 2.681 . 0 0 "[ . 1 . 2]" 1
1318 1 117 LEU HA 1 117 LEU MD2 . . 3.420 3.259 2.125 4.128 0.708 8 6 "[ * - + 1 ** . *2]" 1
1319 1 34 LYS QG 1 35 ASP H . . 3.850 2.487 1.878 3.427 . 0 0 "[ . 1 . 2]" 1
1320 1 34 LYS QG 1 35 ASP HA . . 4.730 3.725 3.394 4.210 . 0 0 "[ . 1 . 2]" 1
1321 1 79 VAL MG2 1 80 THR H . . 3.900 3.867 3.697 3.983 0.083 10 0 "[ . 1 . 2]" 1
1322 1 79 VAL H 1 79 VAL MG2 . . 3.380 2.885 2.687 3.146 . 0 0 "[ . 1 . 2]" 1
1323 1 25 PHE QD 1 79 VAL MG2 . . 3.490 2.597 2.269 3.267 . 0 0 "[ . 1 . 2]" 1
1324 1 25 PHE QE 1 79 VAL MG2 . . 3.180 1.867 1.773 1.991 . 0 0 "[ . 1 . 2]" 1
1325 1 73 ILE HA 1 79 VAL MG2 . . 3.870 3.206 2.732 3.753 . 0 0 "[ . 1 . 2]" 1
1326 1 124 MET HA 1 125 VAL H . . 3.260 2.391 2.204 2.778 . 0 0 "[ . 1 . 2]" 1
1327 1 31 LEU HA 1 32 LYS QB . . 4.470 4.237 4.070 4.389 . 0 0 "[ . 1 . 2]" 1
1328 1 31 LEU HA 1 31 LEU HG . . 3.890 2.827 2.439 3.743 . 0 0 "[ . 1 . 2]" 1
1329 1 71 TRP HE3 1 79 VAL MG2 . . 4.170 3.637 3.005 4.112 . 0 0 "[ . 1 . 2]" 1
1330 1 71 TRP HZ3 1 79 VAL MG2 . . 4.170 2.883 1.976 3.753 . 0 0 "[ . 1 . 2]" 1
1331 1 25 PHE HZ 1 79 VAL MG2 . . 4.410 3.666 3.203 4.087 . 0 0 "[ . 1 . 2]" 1
1332 1 92 TRP HE3 1 95 LEU QD . . 3.550 3.236 2.447 3.650 0.100 15 0 "[ . 1 . 2]" 1
1333 1 114 LEU HA 1 115 SER H . . 3.030 2.361 2.183 3.110 0.080 9 0 "[ . 1 . 2]" 1
1334 1 31 LEU HA 1 32 LYS H . . 2.830 2.215 2.178 2.298 . 0 0 "[ . 1 . 2]" 1
1335 1 29 PHE QE 1 31 LEU HA . . 3.900 3.412 2.964 3.731 . 0 0 "[ . 1 . 2]" 1
1336 1 31 LEU HA 1 35 ASP QB . . 4.000 3.874 3.021 4.143 0.143 19 0 "[ . 1 . 2]" 1
1337 1 60 LEU QD 1 92 TRP HE3 . . 4.390 3.925 3.521 4.320 . 0 0 "[ . 1 . 2]" 1
1338 1 60 LEU QD 1 92 TRP HZ3 . . 2.950 2.027 1.809 2.329 . 0 0 "[ . 1 . 2]" 1
1339 1 60 LEU QD 1 96 VAL HA . . 3.740 3.394 2.995 3.691 . 0 0 "[ . 1 . 2]" 1
1340 1 114 LEU HA 1 114 LEU MD2 . . 3.240 3.247 2.274 4.063 0.823 1 7 "[+* ** -1 .* *2]" 1
1341 1 75 ASP H 1 75 ASP HA . . 2.790 2.175 2.167 2.190 . 0 0 "[ . 1 . 2]" 1
1342 1 75 ASP HA 1 76 GLY H . . 3.450 3.073 2.994 3.196 . 0 0 "[ . 1 . 2]" 1
1343 1 16 LEU QD 1 91 TRP H . . 4.610 3.258 2.130 4.415 . 0 0 "[ . 1 . 2]" 1
1344 1 16 LEU QD 1 90 GLU H . . 4.480 3.994 2.849 4.431 . 0 0 "[ . 1 . 2]" 1
1345 1 16 LEU QD 1 91 TRP HB2 . . 4.360 2.091 1.667 2.827 . 0 0 "[ . 1 . 2]" 1
1346 1 16 LEU QD 1 85 LYS QZ . . 4.430 3.142 2.418 3.784 . 0 0 "[ . 1 . 2]" 1
1347 1 16 LEU QD 1 91 TRP HA . . 4.520 2.553 1.909 2.948 . 0 0 "[ . 1 . 2]" 1
1348 1 25 PHE HZ 1 49 LEU QD . . 4.510 3.269 2.259 4.069 . 0 0 "[ . 1 . 2]" 1
1349 1 37 VAL H 1 49 LEU QD . . 4.330 3.589 2.994 4.097 . 0 0 "[ . 1 . 2]" 1
1350 1 49 LEU QD 1 50 LYS H . . 3.690 3.355 2.922 3.631 . 0 0 "[ . 1 . 2]" 1
1351 1 25 PHE QE 1 49 LEU QD . . 3.980 2.331 1.762 2.980 . 0 0 "[ . 1 . 2]" 1
1352 1 49 LEU HA 1 49 LEU QD . . 2.900 2.067 1.928 2.428 . 0 0 "[ . 1 . 2]" 1
1353 1 35 ASP QB 1 49 LEU QD . . 3.700 3.496 2.936 3.686 . 0 0 "[ . 1 . 2]" 1
1354 1 45 LEU H 1 59 GLU HA . . 4.120 4.016 3.543 4.199 0.079 10 0 "[ . 1 . 2]" 1
1355 1 59 GLU HA 1 60 LEU H . . 2.940 2.229 2.201 2.316 . 0 0 "[ . 1 . 2]" 1
1356 1 44 HIS HA 1 59 GLU HA . . 3.250 2.450 1.993 2.747 . 0 0 "[ . 1 . 2]" 1
1357 1 44 HIS HB2 1 59 GLU HA . . 4.550 3.782 2.939 4.515 . 0 0 "[ . 1 . 2]" 1
1358 1 59 GLU HA 1 60 LEU HB2 . . 4.620 4.508 4.387 4.675 0.055 14 0 "[ . 1 . 2]" 1
1359 1 59 GLU HA 1 60 LEU HG . . 4.530 4.321 3.952 5.072 0.542 12 1 "[ . 1 + . 2]" 1
1360 1 64 VAL H 1 64 VAL MG1 . . 3.710 3.204 2.798 3.342 . 0 0 "[ . 1 . 2]" 1
1361 1 64 VAL MG1 1 84 GLU H . . 4.450 3.627 3.124 4.160 . 0 0 "[ . 1 . 2]" 1
1362 1 64 VAL MG1 1 65 LYS H . . 3.780 3.774 3.679 3.813 0.033 15 0 "[ . 1 . 2]" 1
1363 1 64 VAL MG1 1 92 TRP HH2 . . 3.130 1.895 1.752 2.281 . 0 0 "[ . 1 . 2]" 1
1364 1 64 VAL MG1 1 92 TRP HZ2 . . 3.440 2.280 1.873 2.871 . 0 0 "[ . 1 . 2]" 1
1365 1 64 VAL HA 1 64 VAL MG1 . . 3.200 2.189 2.112 2.273 . 0 0 "[ . 1 . 2]" 1
1366 1 26 ARG H 1 27 VAL MG1 . . 3.930 3.841 3.480 3.972 0.042 19 0 "[ . 1 . 2]" 1
1367 1 27 VAL MG1 1 28 SER H . . 3.620 3.507 3.403 3.647 0.027 12 0 "[ . 1 . 2]" 1
1368 1 27 VAL H 1 27 VAL MG1 . . 3.510 3.233 3.044 3.438 . 0 0 "[ . 1 . 2]" 1
1369 1 27 VAL MG1 1 29 PHE HZ . . 3.460 2.422 2.001 3.065 . 0 0 "[ . 1 . 2]" 1
1370 1 27 VAL MG1 1 29 PHE H . . 3.880 3.913 3.837 3.965 0.085 11 0 "[ . 1 . 2]" 1
1371 1 27 VAL HA 1 27 VAL MG1 . . 2.850 2.219 2.082 2.279 . 0 0 "[ . 1 . 2]" 1
1372 1 25 PHE QB 1 27 VAL MG1 . . 3.220 2.711 2.488 3.104 . 0 0 "[ . 1 . 2]" 1
1373 1 27 VAL MG1 1 29 PHE QD . . 4.210 3.789 3.632 3.926 . 0 0 "[ . 1 . 2]" 1
1374 1 72 LEU HA 1 73 ILE H . . 2.870 2.529 2.336 2.671 . 0 0 "[ . 1 . 2]" 1
1375 1 71 TRP HE3 1 72 LEU HA . . 3.730 3.234 2.610 3.661 . 0 0 "[ . 1 . 2]" 1
1376 1 72 LEU HA 1 72 LEU HG . . 4.020 3.807 3.564 4.248 0.228 3 0 "[ . 1 . 2]" 1
1377 1 72 LEU HA 1 72 LEU QD . . 3.770 3.238 3.065 3.400 . 0 0 "[ . 1 . 2]" 1
1378 1 23 VAL H 1 23 VAL MG1 . . 4.100 3.835 3.617 3.908 . 0 0 "[ . 1 . 2]" 1
1379 1 23 VAL MG1 1 79 VAL H . . 4.380 4.085 2.968 4.405 0.025 14 0 "[ . 1 . 2]" 1
1380 1 23 VAL MG1 1 25 PHE QD . . 4.410 3.383 2.874 3.704 . 0 0 "[ . 1 . 2]" 1
1381 1 23 VAL MG1 1 25 PHE QE . . 3.830 2.292 1.818 2.762 . 0 0 "[ . 1 . 2]" 1
1382 1 23 VAL MG1 1 25 PHE HZ . . 3.580 2.686 2.219 3.214 . 0 0 "[ . 1 . 2]" 1
1383 1 23 VAL HA 1 23 VAL MG1 . . 3.200 2.426 2.323 2.643 . 0 0 "[ . 1 . 2]" 1
1384 1 23 VAL MG1 1 24 PRO HD2 . . 3.910 2.968 2.744 3.297 . 0 0 "[ . 1 . 2]" 1
1385 1 23 VAL MG1 1 24 PRO HD3 . . 4.240 3.840 3.704 4.081 . 0 0 "[ . 1 . 2]" 1
1386 1 10 TYR HB3 1 23 VAL MG1 . . 3.740 2.547 1.978 3.557 . 0 0 "[ . 1 . 2]" 1
1387 1 23 VAL MG1 1 55 VAL HB . . 3.610 2.596 1.983 3.677 0.067 18 0 "[ . 1 . 2]" 1
1388 1 19 LEU H 1 84 GLU HA . . 4.360 3.326 2.904 3.734 . 0 0 "[ . 1 . 2]" 1
1389 1 84 GLU HA 1 85 LYS H . . 3.000 2.216 2.202 2.250 . 0 0 "[ . 1 . 2]" 1
1390 1 84 GLU HA 1 84 GLU QG . . 3.560 2.149 1.994 2.592 . 0 0 "[ . 1 . 2]" 1
1391 1 64 VAL HB 1 84 GLU HA . . 4.660 4.615 4.401 4.717 0.057 14 0 "[ . 1 . 2]" 1
1392 1 84 GLU HA 1 85 LYS HB2 . . 4.690 4.599 4.441 4.765 0.075 7 0 "[ . 1 . 2]" 1
1393 1 84 GLU HA 1 85 LYS HG3 . . 4.440 3.816 3.486 4.177 . 0 0 "[ . 1 . 2]" 1
1394 1 60 LEU HA 1 61 TYR H . . 3.200 2.430 2.236 2.525 . 0 0 "[ . 1 . 2]" 1
1395 1 16 LEU H 1 17 ALA MB . . 4.650 4.585 4.517 4.673 0.023 10 0 "[ . 1 . 2]" 1
1396 1 17 ALA MB 1 18 GLU H . . 2.840 2.166 1.911 2.512 . 0 0 "[ . 1 . 2]" 1
1397 1 17 ALA MB 1 88 LYS HA . . 4.210 3.946 3.489 4.221 0.011 20 0 "[ . 1 . 2]" 1
1398 1 17 ALA MB 1 88 LYS QE . . 3.750 3.501 2.491 3.816 0.066 5 0 "[ . 1 . 2]" 1
1399 1 49 LEU H 1 55 VAL QG . . 4.410 4.225 3.944 4.452 0.042 10 0 "[ . 1 . 2]" 1
1400 1 55 VAL H 1 55 VAL QG . . 3.130 1.995 1.886 2.227 . 0 0 "[ . 1 . 2]" 1
1401 1 55 VAL QG 1 56 VAL H . . 3.500 3.278 2.860 3.437 . 0 0 "[ . 1 . 2]" 1
1402 1 25 PHE QD 1 55 VAL QG . . 4.000 3.684 3.464 3.971 . 0 0 "[ . 1 . 2]" 1
1403 1 25 PHE QE 1 55 VAL QG . . 3.190 2.029 1.770 2.389 . 0 0 "[ . 1 . 2]" 1
1404 1 25 PHE HZ 1 55 VAL QG . . 3.460 2.793 2.058 3.408 . 0 0 "[ . 1 . 2]" 1
1405 1 54 PRO HA 1 55 VAL QG . . 3.860 3.549 3.253 3.882 0.022 18 0 "[ . 1 . 2]" 1
1406 1 48 GLY QA 1 55 VAL QG . . 3.430 2.777 2.403 3.516 0.086 18 0 "[ . 1 . 2]" 1
1407 1 55 VAL HA 1 55 VAL QG . . 2.950 2.111 2.038 2.293 . 0 0 "[ . 1 . 2]" 1
1408 1 36 VAL QG 1 37 VAL H . . 3.300 1.824 1.768 1.870 . 0 0 "[ . 1 . 2]" 1
1409 1 36 VAL QG 1 71 TRP HH2 . . 3.380 2.269 1.730 2.931 . 0 0 "[ . 1 . 2]" 1
1410 1 25 PHE QE 1 36 VAL QG . . 4.410 3.201 2.765 3.656 . 0 0 "[ . 1 . 2]" 1
1411 1 36 VAL QG 1 71 TRP HZ3 . . 3.350 2.280 1.872 2.727 . 0 0 "[ . 1 . 2]" 1
1412 1 36 VAL HA 1 36 VAL QG . . 3.250 2.331 2.071 2.605 . 0 0 "[ . 1 . 2]" 1
1413 1 36 VAL QG 1 48 GLY H . . 4.290 3.341 2.871 4.293 0.003 18 0 "[ . 1 . 2]" 1
1414 1 60 LEU HA 1 61 TYR HB2 . . 4.580 4.479 4.226 4.590 0.010 18 0 "[ . 1 . 2]" 1
1415 1 60 LEU HA 1 60 LEU HG . . 4.140 3.017 2.647 3.787 . 0 0 "[ . 1 . 2]" 1
1416 1 10 TYR QD 1 55 VAL QG . . 3.170 2.206 1.879 2.958 . 0 0 "[ . 1 . 2]" 1
1417 1 10 TYR HB3 1 55 VAL QG . . 4.170 2.624 1.945 3.405 . 0 0 "[ . 1 . 2]" 1
1418 1 9 ASN HB3 1 55 VAL QG . . 3.690 2.916 1.993 3.662 . 0 0 "[ . 1 . 2]" 1
1419 1 9 ASN HB2 1 55 VAL QG . . 3.920 3.239 2.340 3.867 . 0 0 "[ . 1 . 2]" 1
1420 1 66 VAL QG 1 67 GLU H . . 3.660 2.375 2.082 3.031 . 0 0 "[ . 1 . 2]" 1
1421 1 66 VAL H 1 66 VAL QG . . 2.850 1.798 1.768 1.830 . 0 0 "[ . 1 . 2]" 1
1422 1 41 GLN H 1 66 VAL QG . . 4.530 3.820 3.284 4.086 . 0 0 "[ . 1 . 2]" 1
1423 1 42 ARG H 1 66 VAL QG . . 3.340 2.503 2.320 2.772 . 0 0 "[ . 1 . 2]" 1
1424 1 41 GLN HA 1 66 VAL QG . . 3.180 2.358 2.082 2.705 . 0 0 "[ . 1 . 2]" 1
1425 1 65 LYS HA 1 66 VAL QG . . 3.870 3.291 3.238 3.387 . 0 0 "[ . 1 . 2]" 1
1426 1 42 ARG HA 1 66 VAL QG . . 3.040 1.941 1.845 2.074 . 0 0 "[ . 1 . 2]" 1
1427 1 65 LYS HA 1 67 GLU H . . 4.340 3.592 3.262 4.369 0.029 17 0 "[ . 1 . 2]" 1
1428 1 65 LYS HA 1 66 VAL H . . 2.860 2.205 2.176 2.272 . 0 0 "[ . 1 . 2]" 1
1429 1 65 LYS HA 1 65 LYS HD3 . . 4.360 4.182 4.011 4.293 . 0 0 "[ . 1 . 2]" 1
1430 1 65 LYS HA 1 65 LYS HG3 . . 3.760 2.097 1.989 2.219 . 0 0 "[ . 1 . 2]" 1
1431 1 97 THR H 1 97 THR MG . . 3.090 2.219 1.833 3.156 0.066 8 0 "[ . 1 . 2]" 1
1432 1 97 THR MG 1 98 SER H . . 3.990 3.905 3.670 4.023 0.033 18 0 "[ . 1 . 2]" 1
1433 1 61 TYR QD 1 97 THR MG . . 3.830 3.590 2.927 3.858 0.028 7 0 "[ . 1 . 2]" 1
1434 1 96 VAL HA 1 97 THR MG . . 4.050 3.434 3.094 3.680 . 0 0 "[ . 1 . 2]" 1
1435 1 97 THR HA 1 97 THR MG . . 3.000 2.430 2.324 2.559 . 0 0 "[ . 1 . 2]" 1
1436 1 61 TYR HA 1 97 THR MG . . 3.090 2.109 1.779 2.795 . 0 0 "[ . 1 . 2]" 1
1437 1 59 GLU HG2 1 97 THR MG . . 3.600 2.831 2.047 3.197 . 0 0 "[ . 1 . 2]" 1
1438 1 65 LYS HA 1 65 LYS HD2 . . 3.820 3.394 3.163 3.606 . 0 0 "[ . 1 . 2]" 1
1439 1 15 THR MG 1 18 GLU HG2 . . 4.430 3.543 2.135 4.667 0.237 7 0 "[ . 1 . 2]" 1
1440 1 15 THR H 1 15 THR MG . . 3.210 2.311 1.924 2.654 . 0 0 "[ . 1 . 2]" 1
1441 1 15 THR MG 1 18 GLU H . . 3.910 2.117 1.819 3.511 . 0 0 "[ . 1 . 2]" 1
1442 1 74 GLU H 1 80 THR MG . . 4.270 3.344 2.823 3.856 . 0 0 "[ . 1 . 2]" 1
1443 1 80 THR H 1 80 THR MG . . 3.450 3.014 2.680 3.512 0.062 3 0 "[ . 1 . 2]" 1
1444 1 72 LEU H 1 80 THR MG . . 4.640 4.681 4.516 4.803 0.163 13 0 "[ . 1 . 2]" 1
1445 1 80 THR MG 1 81 VAL H . . 3.720 3.659 2.968 3.798 0.078 5 0 "[ . 1 . 2]" 1
1446 1 80 THR HA 1 80 THR MG . . 3.080 2.255 2.090 2.415 . 0 0 "[ . 1 . 2]" 1
1447 1 22 ALA HA 1 80 THR MG . . 3.330 2.505 2.058 2.780 . 0 0 "[ . 1 . 2]" 1
1448 1 74 GLU HG3 1 80 THR MG . . 3.590 2.082 1.967 2.232 . 0 0 "[ . 1 . 2]" 1
1449 1 74 GLU HG2 1 80 THR MG . . 3.560 3.538 3.413 3.586 0.026 19 0 "[ . 1 . 2]" 1
1450 1 81 VAL MG1 1 82 HIS H . . 3.250 2.242 1.913 2.859 . 0 0 "[ . 1 . 2]" 1
1451 1 71 TRP HB3 1 81 VAL MG1 . . 3.620 2.622 2.072 3.015 . 0 0 "[ . 1 . 2]" 1
1452 1 74 GLU H 1 78 VAL QG . . 4.450 3.059 2.676 3.704 . 0 0 "[ . 1 . 2]" 1
1453 1 25 PHE H 1 78 VAL QG . . 3.770 3.008 2.482 3.412 . 0 0 "[ . 1 . 2]" 1
1454 1 77 LYS H 1 78 VAL QG . . 3.880 3.519 3.300 3.814 . 0 0 "[ . 1 . 2]" 1
1455 1 78 VAL HA 1 78 VAL QG . . 2.820 2.373 2.121 2.544 . 0 0 "[ . 1 . 2]" 1
1456 1 77 LYS QE 1 78 VAL QG . . 4.100 2.734 1.798 4.036 . 0 0 "[ . 1 . 2]" 1
1457 1 75 ASP HB2 1 78 VAL QG . . 4.270 3.384 2.680 3.957 . 0 0 "[ . 1 . 2]" 1
1458 1 81 VAL H 1 81 VAL MG1 . . 4.110 3.832 3.751 3.904 . 0 0 "[ . 1 . 2]" 1
1459 1 81 VAL MG1 1 83 LEU H . . 4.370 3.754 3.175 3.981 . 0 0 "[ . 1 . 2]" 1
1460 1 71 TRP HA 1 81 VAL MG1 . . 4.060 3.771 3.525 4.060 . 0 0 "[ . 1 . 2]" 1
1461 1 81 VAL HA 1 81 VAL MG1 . . 3.120 2.373 2.270 2.483 . 0 0 "[ . 1 . 2]" 1
1462 1 71 TRP HB2 1 81 VAL MG1 . . 3.960 3.600 3.137 3.970 0.010 1 0 "[ . 1 . 2]" 1
1463 1 79 VAL MG1 1 80 THR H . . 3.410 2.797 2.291 3.246 . 0 0 "[ . 1 . 2]" 1
1464 1 79 VAL H 1 79 VAL MG1 . . 3.950 3.614 3.520 3.711 . 0 0 "[ . 1 . 2]" 1
1465 1 71 TRP HE3 1 79 VAL MG1 . . 3.370 2.489 1.930 3.192 . 0 0 "[ . 1 . 2]" 1
1466 1 71 TRP HZ3 1 79 VAL MG1 . . 4.280 3.334 2.451 4.257 . 0 0 "[ . 1 . 2]" 1
1467 1 71 TRP HB2 1 79 VAL MG1 . . 3.820 3.224 2.818 3.518 . 0 0 "[ . 1 . 2]" 1
1468 1 38 VAL QG 1 79 VAL MG1 . . 2.950 2.167 1.786 2.602 . 0 0 "[ . 1 . 2]" 1
1469 1 79 VAL MG1 1 80 THR HA . . 4.470 3.705 3.442 3.820 . 0 0 "[ . 1 . 2]" 1
1470 1 37 VAL H 1 49 LEU HA . . 3.830 3.136 2.632 3.775 . 0 0 "[ . 1 . 2]" 1
1471 1 49 LEU HA 1 50 LYS H . . 2.970 2.210 2.178 2.251 . 0 0 "[ . 1 . 2]" 1
1472 1 49 LEU HA 1 49 LEU HG . . 4.180 3.148 2.812 3.771 . 0 0 "[ . 1 . 2]" 1
1473 1 36 VAL QG 1 49 LEU HA . . 3.990 3.194 2.557 3.515 . 0 0 "[ . 1 . 2]" 1
1474 1 25 PHE QE 1 79 VAL MG1 . . 4.170 3.450 3.255 3.885 . 0 0 "[ . 1 . 2]" 1
1475 1 73 ILE HA 1 79 VAL MG1 . . 4.170 4.077 3.634 4.227 0.057 10 0 "[ . 1 . 2]" 1
1476 1 23 VAL H 1 78 VAL QG . . 3.350 3.025 2.459 3.342 . 0 0 "[ . 1 . 2]" 1
1477 1 24 PRO HD3 1 78 VAL QG . . 4.370 3.535 2.924 3.886 . 0 0 "[ . 1 . 2]" 1
1478 1 22 ALA HA 1 78 VAL QG . . 3.630 3.393 3.118 3.536 . 0 0 "[ . 1 . 2]" 1
1479 1 96 VAL QG 1 97 THR H . . 3.690 3.212 1.832 3.533 . 0 0 "[ . 1 . 2]" 1
1480 1 59 GLU H 1 96 VAL QG . . 4.210 3.640 1.987 4.027 . 0 0 "[ . 1 . 2]" 1
1481 1 96 VAL QG 1 98 SER H . . 3.730 3.218 1.975 3.493 . 0 0 "[ . 1 . 2]" 1
1482 1 61 TYR H 1 96 VAL QG . . 4.340 4.189 3.827 4.389 0.049 15 0 "[ . 1 . 2]" 1
1483 1 60 LEU H 1 96 VAL QG . . 4.300 3.601 3.039 4.305 0.005 12 0 "[ . 1 . 2]" 1
1484 1 96 VAL H 1 96 VAL QG . . 3.010 1.984 1.748 2.227 . 0 0 "[ . 1 . 2]" 1
1485 1 96 VAL HA 1 96 VAL QG . . 3.030 2.105 2.016 2.325 . 0 0 "[ . 1 . 2]" 1
1486 1 60 LEU HA 1 96 VAL QG . . 3.420 2.513 1.999 3.045 . 0 0 "[ . 1 . 2]" 1
1487 1 58 GLY HA2 1 96 VAL QG . . 3.980 3.517 2.644 3.770 . 0 0 "[ . 1 . 2]" 1
1488 1 58 GLY HA3 1 96 VAL QG . . 3.580 2.358 1.752 2.631 . 0 0 "[ . 1 . 2]" 1
1489 1 38 VAL QG 1 71 TRP HE1 . . 3.850 3.160 2.740 3.568 . 0 0 "[ . 1 . 2]" 1
1490 1 38 VAL QG 1 40 ILE H . . 4.330 3.501 2.730 4.231 . 0 0 "[ . 1 . 2]" 1
1491 1 38 VAL H 1 38 VAL QG . . 3.610 2.953 2.756 3.099 . 0 0 "[ . 1 . 2]" 1
1492 1 38 VAL QG 1 71 TRP HD1 . . 3.530 2.388 1.989 2.708 . 0 0 "[ . 1 . 2]" 1
1493 1 38 VAL QG 1 39 ASP HA . . 4.160 3.863 3.654 4.053 . 0 0 "[ . 1 . 2]" 1
1494 1 38 VAL HA 1 38 VAL QG . . 3.130 2.054 2.009 2.093 . 0 0 "[ . 1 . 2]" 1
1495 1 38 VAL QG 1 71 TRP HB2 . . 3.930 2.513 2.191 2.664 . 0 0 "[ . 1 . 2]" 1
1496 1 38 VAL QG 1 71 TRP HB3 . . 3.650 2.329 1.997 2.623 . 0 0 "[ . 1 . 2]" 1
1497 1 38 VAL QG 1 40 ILE HG12 . . 3.260 3.051 2.868 3.248 . 0 0 "[ . 1 . 2]" 1
1498 1 22 ALA H 1 22 ALA MB . . 2.880 2.640 2.586 2.663 . 0 0 "[ . 1 . 2]" 1
1499 1 11 ARG H 1 22 ALA MB . . 3.660 3.533 3.165 3.679 0.019 4 0 "[ . 1 . 2]" 1
1500 1 11 ARG HE 1 22 ALA MB . . 4.580 3.273 2.159 4.530 . 0 0 "[ . 1 . 2]" 1
1501 1 22 ALA MB 1 80 THR HA . . 3.970 3.285 3.051 3.525 . 0 0 "[ . 1 . 2]" 1
1502 1 21 LEU HA 1 22 ALA MB . . 3.960 3.832 3.795 3.866 . 0 0 "[ . 1 . 2]" 1
1503 1 22 ALA MB 1 24 PRO HD3 . . 4.210 3.620 3.507 3.726 . 0 0 "[ . 1 . 2]" 1
1504 1 11 ARG QD 1 22 ALA MB . . 4.080 2.791 1.947 3.899 . 0 0 "[ . 1 . 2]" 1
1505 1 81 VAL MG2 1 82 HIS H . . 4.030 4.005 3.841 4.078 0.048 15 0 "[ . 1 . 2]" 1
1506 1 72 LEU H 1 81 VAL MG2 . . 4.300 3.933 3.656 4.182 . 0 0 "[ . 1 . 2]" 1
1507 1 81 VAL H 1 81 VAL MG2 . . 3.390 2.862 2.630 3.043 . 0 0 "[ . 1 . 2]" 1
1508 1 80 THR HA 1 81 VAL MG2 . . 3.960 3.452 3.242 3.695 . 0 0 "[ . 1 . 2]" 1
1509 1 81 VAL HA 1 81 VAL MG2 . . 3.210 2.353 2.200 2.439 . 0 0 "[ . 1 . 2]" 1
1510 1 71 TRP HB2 1 81 VAL MG2 . . 3.370 2.183 1.924 2.520 . 0 0 "[ . 1 . 2]" 1
1511 1 71 TRP HB3 1 81 VAL MG2 . . 3.370 2.492 1.965 2.918 . 0 0 "[ . 1 . 2]" 1
1512 1 17 ALA HA 1 88 LYS QB . . 3.620 2.163 1.831 2.833 . 0 0 "[ . 1 . 2]" 1
1513 1 17 ALA HA 1 85 LYS HD3 . . 4.090 3.911 3.204 4.151 0.061 5 0 "[ . 1 . 2]" 1
1514 1 17 ALA HA 1 88 LYS QD . . 4.110 3.274 2.434 4.105 . 0 0 "[ . 1 . 2]" 1
1515 1 17 ALA HA 1 85 LYS HD2 . . 3.930 2.880 2.131 3.467 . 0 0 "[ . 1 . 2]" 1
1516 1 13 THR H 1 13 THR MG . . 3.430 2.630 2.346 2.953 . 0 0 "[ . 1 . 2]" 1
1517 1 13 THR MG 1 20 ASP H . . 4.550 4.524 3.403 4.646 0.096 7 0 "[ . 1 . 2]" 1
1518 1 13 THR MG 1 14 GLN H . . 3.690 3.695 2.046 3.848 0.158 15 0 "[ . 1 . 2]" 1
1519 1 12 TRP HA 1 13 THR MG . . 4.220 3.217 2.824 3.564 . 0 0 "[ . 1 . 2]" 1
1520 1 13 THR HA 1 13 THR MG . . 3.040 2.599 2.426 3.242 0.202 1 0 "[ . 1 . 2]" 1
1521 1 13 THR MG 1 20 ASP HB2 . . 4.260 3.651 1.982 3.951 . 0 0 "[ . 1 . 2]" 1
1522 1 13 THR MG 1 20 ASP HB3 . . 3.930 3.336 2.528 3.816 . 0 0 "[ . 1 . 2]" 1
1523 1 125 VAL H 1 125 VAL QG . . 3.740 2.373 1.990 3.069 . 0 0 "[ . 1 . 2]" 1
1524 1 47 VAL MG1 1 48 GLY H . . 3.200 2.187 1.869 2.968 . 0 0 "[ . 1 . 2]" 1
1525 1 47 VAL MG1 1 56 VAL H . . 4.510 4.009 3.530 4.560 0.050 19 0 "[ . 1 . 2]" 1
1526 1 25 PHE QE 1 47 VAL MG1 . . 3.780 3.557 3.094 3.775 . 0 0 "[ . 1 . 2]" 1
1527 1 25 PHE HZ 1 47 VAL MG1 . . 3.230 2.784 2.226 3.170 . 0 0 "[ . 1 . 2]" 1
1528 1 47 VAL HA 1 47 VAL MG1 . . 3.070 2.385 2.226 2.481 . 0 0 "[ . 1 . 2]" 1
1529 1 47 VAL MG1 1 48 GLY QA . . 3.780 3.130 2.893 3.522 . 0 0 "[ . 1 . 2]" 1
1530 1 23 VAL HB 1 47 VAL MG1 . . 3.540 3.020 2.670 3.505 . 0 0 "[ . 1 . 2]" 1
1531 1 38 VAL QG 1 48 GLY H . . 3.780 3.236 2.744 3.902 0.122 18 0 "[ . 1 . 2]" 1
1532 1 37 VAL H 1 38 VAL QG . . 4.440 3.298 3.119 3.529 . 0 0 "[ . 1 . 2]" 1
1533 1 38 VAL QG 1 71 TRP HE3 . . 3.880 2.834 2.395 3.328 . 0 0 "[ . 1 . 2]" 1
1534 1 38 VAL QG 1 47 VAL HA . . 3.780 2.642 2.350 2.904 . 0 0 "[ . 1 . 2]" 1
1535 1 36 VAL HB 1 38 VAL QG . . 4.030 4.063 3.924 4.234 0.204 13 0 "[ . 1 . 2]" 1
1536 1 38 VAL QG 1 79 VAL MG2 . . 3.740 3.372 2.982 3.711 . 0 0 "[ . 1 . 2]" 1
1537 1 38 VAL QG 1 47 VAL MG1 . . 2.640 2.035 1.794 2.347 . 0 0 "[ . 1 . 2]" 1
1538 1 35 ASP H 1 36 VAL QG . . 3.830 2.854 2.477 3.193 . 0 0 "[ . 1 . 2]" 1
1539 1 33 GLY HA3 1 36 VAL QG . . 4.000 3.777 3.140 4.104 0.104 19 0 "[ . 1 . 2]" 1
1540 1 33 GLY HA2 1 36 VAL QG . . 3.640 2.377 1.819 2.683 . 0 0 "[ . 1 . 2]" 1
1541 1 35 ASP QB 1 36 VAL QG . . 3.650 3.102 2.851 3.411 . 0 0 "[ . 1 . 2]" 1
1542 1 47 VAL H 1 56 VAL MG2 . . 4.460 3.622 3.337 4.028 . 0 0 "[ . 1 . 2]" 1
1543 1 10 TYR HB3 1 56 VAL MG2 . . 4.330 3.740 3.376 4.176 . 0 0 "[ . 1 . 2]" 1
1544 1 10 TYR HB2 1 56 VAL MG2 . . 4.310 3.907 3.566 4.316 0.006 12 0 "[ . 1 . 2]" 1
1545 1 55 VAL HB 1 56 VAL MG2 . . 3.720 2.857 2.374 4.193 0.473 19 0 "[ . 1 . 2]" 1
1546 1 47 VAL HB 1 56 VAL MG2 . . 3.440 2.304 1.872 2.687 . 0 0 "[ . 1 . 2]" 1
1547 1 56 VAL MG2 1 57 ASP H . . 4.310 4.185 4.054 4.335 0.025 6 0 "[ . 1 . 2]" 1
1548 1 56 VAL H 1 56 VAL MG2 . . 3.520 2.558 2.216 2.882 . 0 0 "[ . 1 . 2]" 1
1549 1 10 TYR QD 1 56 VAL MG2 . . 3.370 3.025 2.448 3.358 . 0 0 "[ . 1 . 2]" 1
1550 1 56 VAL HA 1 56 VAL MG2 . . 3.180 2.501 2.407 2.566 . 0 0 "[ . 1 . 2]" 1
1551 1 47 VAL H 1 47 VAL MG2 . . 3.340 2.862 2.268 3.176 . 0 0 "[ . 1 . 2]" 1
1552 1 46 ARG H 1 47 VAL MG2 . . 4.110 3.328 2.860 3.794 . 0 0 "[ . 1 . 2]" 1
1553 1 47 VAL MG2 1 56 VAL H . . 4.400 4.467 4.279 4.590 0.190 17 0 "[ . 1 . 2]" 1
1554 1 46 ARG HA 1 47 VAL MG2 . . 4.300 3.798 3.620 4.080 . 0 0 "[ . 1 . 2]" 1
1555 1 47 VAL HA 1 47 VAL MG2 . . 3.160 2.355 2.204 2.510 . 0 0 "[ . 1 . 2]" 1
1556 1 38 VAL HA 1 47 VAL MG2 . . 3.630 2.545 1.918 2.959 . 0 0 "[ . 1 . 2]" 1
1557 1 56 VAL H 1 56 VAL MG1 . . 4.070 3.863 3.808 3.987 . 0 0 "[ . 1 . 2]" 1
1558 1 10 TYR QE 1 56 VAL MG1 . . 4.370 3.546 2.848 4.143 . 0 0 "[ . 1 . 2]" 1
1559 1 37 VAL QG 1 51 GLY H . . 3.960 3.552 3.214 3.990 0.030 6 0 "[ . 1 . 2]" 1
1560 1 37 VAL H 1 37 VAL QG . . 3.340 2.750 1.908 3.106 . 0 0 "[ . 1 . 2]" 1
1561 1 37 VAL HA 1 37 VAL QG . . 3.050 2.225 2.041 2.617 . 0 0 "[ . 1 . 2]" 1
1562 1 37 VAL QG 1 50 LYS HA . . 3.040 2.070 1.803 2.359 . 0 0 "[ . 1 . 2]" 1
1563 1 23 VAL H 1 23 VAL MG2 . . 3.280 2.843 2.661 3.265 . 0 0 "[ . 1 . 2]" 1
1564 1 11 ARG H 1 23 VAL MG2 . . 4.040 3.829 3.517 4.052 0.012 19 0 "[ . 1 . 2]" 1
1565 1 23 VAL MG2 1 25 PHE QE . . 4.520 4.415 3.946 4.543 0.023 5 0 "[ . 1 . 2]" 1
1566 1 10 TYR QD 1 23 VAL MG2 . . 3.950 3.214 2.852 3.593 . 0 0 "[ . 1 . 2]" 1
1567 1 10 TYR HA 1 23 VAL MG2 . . 4.110 3.926 3.513 4.123 0.013 16 0 "[ . 1 . 2]" 1
1568 1 23 VAL HA 1 23 VAL MG2 . . 3.280 2.364 2.155 2.468 . 0 0 "[ . 1 . 2]" 1
1569 1 10 TYR HB2 1 23 VAL MG2 . . 3.340 2.096 1.923 2.449 . 0 0 "[ . 1 . 2]" 1
1570 1 56 VAL MG1 1 57 ASP H . . 3.430 2.532 2.114 3.042 . 0 0 "[ . 1 . 2]" 1
1571 1 46 ARG HA 1 56 VAL MG1 . . 3.910 3.503 2.814 3.957 0.047 6 0 "[ . 1 . 2]" 1
1572 1 47 VAL HB 1 56 VAL MG1 . . 3.820 3.607 3.378 3.835 0.015 6 0 "[ . 1 . 2]" 1
1573 1 47 VAL H 1 56 VAL MG1 . . 3.920 3.467 3.163 3.916 . 0 0 "[ . 1 . 2]" 1
1574 1 56 VAL HA 1 56 VAL MG1 . . 3.190 2.269 2.152 2.402 . 0 0 "[ . 1 . 2]" 1
1575 1 22 ALA HA 1 23 VAL MG2 . . 4.070 3.625 3.449 4.085 0.015 19 0 "[ . 1 . 2]" 1
1576 1 37 VAL QG 1 39 ASP H . . 3.580 3.446 3.132 3.606 0.026 17 0 "[ . 1 . 2]" 1
1577 1 37 VAL QG 1 38 VAL H . . 3.350 3.074 2.703 3.299 . 0 0 "[ . 1 . 2]" 1
1578 1 37 VAL QG 1 47 VAL HA . . 4.290 3.610 2.325 4.172 . 0 0 "[ . 1 . 2]" 1
1579 1 37 VAL QG 1 38 VAL HA . . 3.960 3.509 3.153 3.785 . 0 0 "[ . 1 . 2]" 1
1580 1 37 VAL QG 1 46 ARG QD . . 3.520 3.320 2.867 3.575 0.055 19 0 "[ . 1 . 2]" 1
1581 1 37 VAL QG 1 39 ASP HB2 . . 3.630 3.471 3.155 3.931 0.301 19 0 "[ . 1 . 2]" 1
1582 1 23 VAL HA 1 24 PRO HD2 . . 3.160 2.189 2.182 2.197 . 0 0 "[ . 1 . 2]" 1
1583 1 23 VAL MG2 1 24 PRO HD2 . . 4.440 4.080 3.731 4.228 . 0 0 "[ . 1 . 2]" 1
1584 1 11 ARG H 1 24 PRO HD2 . . 4.670 4.291 4.036 4.538 . 0 0 "[ . 1 . 2]" 1
1585 1 109 PRO HD3 1 110 GLU H . . 4.530 3.858 3.680 4.603 0.073 14 0 "[ . 1 . 2]" 1
1586 1 108 ASN HA 1 109 PRO HD3 . . 3.010 2.043 1.971 2.241 . 0 0 "[ . 1 . 2]" 1
1587 1 108 ASN QB 1 109 PRO HD3 . . 4.470 3.555 2.911 3.998 . 0 0 "[ . 1 . 2]" 1
1588 1 23 VAL HA 1 24 PRO HD3 . . 3.240 2.106 2.075 2.150 . 0 0 "[ . 1 . 2]" 1
1589 1 52 GLN HA 1 53 PRO HD3 . . 2.950 2.182 2.143 2.214 . 0 0 "[ . 1 . 2]" 1
1590 1 53 PRO HB2 1 54 PRO HD3 . . 4.010 3.954 3.577 4.184 0.174 20 0 "[ . 1 . 2]" 1
1591 1 99 ASP HA 1 100 PRO HD2 . . 2.890 2.802 2.558 3.049 0.159 4 0 "[ . 1 . 2]" 1
1592 1 100 PRO HD2 1 101 GLU H . . 4.370 3.192 2.516 4.709 0.339 9 0 "[ . 1 . 2]" 1
1593 1 23 VAL MG2 1 24 PRO HD3 . . 4.430 4.038 3.884 4.112 . 0 0 "[ . 1 . 2]" 1
1594 1 11 ARG H 1 24 PRO HD3 . . 4.600 3.561 3.232 3.846 . 0 0 "[ . 1 . 2]" 1
1595 1 99 ASP QB 1 100 PRO HD3 . . 3.780 3.016 2.661 3.354 . 0 0 "[ . 1 . 2]" 1
1596 1 52 GLN HA 1 53 PRO HD2 . . 3.240 2.983 2.933 3.024 . 0 0 "[ . 1 . 2]" 1
1597 1 52 GLN QB 1 53 PRO HD2 . . 2.980 1.918 1.711 2.149 . 0 0 "[ . 1 . 2]" 1
1598 1 57 ASP H 1 96 VAL QG . . 4.510 3.414 2.676 4.254 . 0 0 "[ . 1 . 2]" 1
1599 1 96 VAL QG 1 99 ASP H . . 3.890 3.641 2.173 3.872 . 0 0 "[ . 1 . 2]" 1
1600 1 10 TYR QE 1 96 VAL QG . . 4.460 3.874 3.393 4.394 . 0 0 "[ . 1 . 2]" 1
1601 1 96 VAL QG 1 98 SER HA . . 4.600 4.272 3.207 4.739 0.139 4 0 "[ . 1 . 2]" 1
1602 1 96 VAL QG 1 97 THR HA . . 5.100 4.364 3.631 4.759 . 0 0 "[ . 1 . 2]" 1
1603 1 96 VAL QG 1 99 ASP QB . . 4.450 3.431 1.941 4.229 . 0 0 "[ . 1 . 2]" 1
1604 1 95 LEU HB2 1 96 VAL QG . . 4.410 4.001 3.850 4.534 0.124 15 0 "[ . 1 . 2]" 1
1605 1 40 ILE MG 1 41 GLN H . . 3.380 3.236 2.900 3.441 0.061 19 0 "[ . 1 . 2]" 1
1606 1 40 ILE MG 1 69 SER HG . . 4.010 3.143 2.420 3.868 . 0 0 "[ . 1 . 2]" 1
1607 1 40 ILE MG 1 69 SER HB3 . . 3.670 2.061 1.867 2.426 . 0 0 "[ . 1 . 2]" 1
1608 1 40 ILE HA 1 40 ILE MG . . 3.060 2.464 2.360 2.585 . 0 0 "[ . 1 . 2]" 1
1609 1 40 ILE MG 1 66 VAL HB . . 4.030 2.772 2.045 4.089 0.059 14 0 "[ . 1 . 2]" 1
1610 1 62 ASN HA 1 63 GLU H . . 3.300 2.503 2.261 2.786 . 0 0 "[ . 1 . 2]" 1
1611 1 43 ARG HE 1 62 ASN HA . . 4.190 3.440 2.062 4.192 0.002 14 0 "[ . 1 . 2]" 1
1612 1 43 ARG HG3 1 62 ASN HA . . 4.650 3.452 2.739 4.364 . 0 0 "[ . 1 . 2]" 1
1613 1 73 ILE MG 1 74 GLU H . . 3.180 2.979 2.556 3.200 0.020 7 0 "[ . 1 . 2]" 1
1614 1 73 ILE MG 1 76 GLY H . . 3.140 2.822 2.393 3.159 0.019 13 0 "[ . 1 . 2]" 1
1615 1 31 LEU H 1 73 ILE MG . . 4.140 3.246 2.878 3.571 . 0 0 "[ . 1 . 2]" 1
1616 1 73 ILE H 1 73 ILE MG . . 3.730 3.802 3.705 3.861 0.131 13 0 "[ . 1 . 2]" 1
1617 1 73 ILE MG 1 78 VAL H . . 3.550 3.160 2.878 3.561 0.011 1 0 "[ . 1 . 2]" 1
1618 1 73 ILE MG 1 77 LYS H . . 3.460 2.253 1.888 2.798 . 0 0 "[ . 1 . 2]" 1
1619 1 73 ILE HA 1 73 ILE MG . . 3.020 2.414 2.320 2.539 . 0 0 "[ . 1 . 2]" 1
1620 1 31 LEU HA 1 73 ILE MG . . 4.340 4.358 4.256 4.429 0.089 14 0 "[ . 1 . 2]" 1
1621 1 73 ILE MG 1 76 GLY HA3 . . 3.700 3.305 3.163 3.662 . 0 0 "[ . 1 . 2]" 1
1622 1 73 ILE MG 1 76 GLY HA2 . . 3.250 1.897 1.765 2.231 . 0 0 "[ . 1 . 2]" 1
1623 1 73 ILE HG12 1 73 ILE MG . . 3.320 2.282 2.094 2.526 . 0 0 "[ . 1 . 2]" 1
1624 1 64 VAL H 1 64 VAL MG2 . . 3.020 2.174 1.818 2.417 . 0 0 "[ . 1 . 2]" 1
1625 1 64 VAL MG2 1 66 VAL H . . 4.380 4.332 3.944 4.506 0.126 14 0 "[ . 1 . 2]" 1
1626 1 44 HIS H 1 64 VAL MG2 . . 4.410 3.588 3.182 3.924 . 0 0 "[ . 1 . 2]" 1
1627 1 63 GLU HA 1 64 VAL MG2 . . 3.830 3.364 3.256 3.526 . 0 0 "[ . 1 . 2]" 1
1628 1 42 ARG HA 1 64 VAL MG2 . . 3.290 3.003 2.598 3.329 0.039 12 0 "[ . 1 . 2]" 1
1629 1 64 VAL MG2 1 66 VAL HA . . 4.080 4.072 3.864 4.187 0.107 7 0 "[ . 1 . 2]" 1
1630 1 127 GLY HA3 1 128 PRO QD . . 3.480 3.177 2.661 3.412 . 0 0 "[ . 1 . 2]" 1
1631 1 27 VAL MG2 1 28 SER H . . 3.900 3.759 3.368 3.921 0.021 18 0 "[ . 1 . 2]" 1
1632 1 27 VAL H 1 27 VAL MG2 . . 2.880 1.964 1.867 2.111 . 0 0 "[ . 1 . 2]" 1
1633 1 27 VAL MG2 1 29 PHE QE . . 3.870 3.644 3.232 3.906 0.036 19 0 "[ . 1 . 2]" 1
1634 1 25 PHE QD 1 27 VAL MG2 . . 3.930 3.954 3.869 4.000 0.070 11 0 "[ . 1 . 2]" 1
1635 1 27 VAL MG2 1 29 PHE QD . . 3.960 3.612 3.232 3.943 . 0 0 "[ . 1 . 2]" 1
1636 1 27 VAL MG2 1 29 PHE H . . 3.070 3.038 2.810 3.116 0.046 11 0 "[ . 1 . 2]" 1
1637 1 27 VAL HA 1 27 VAL MG2 . . 3.460 3.191 3.173 3.201 . 0 0 "[ . 1 . 2]" 1
1638 1 26 ARG HA 1 27 VAL MG2 . . 3.840 3.793 3.589 3.885 0.045 2 0 "[ . 1 . 2]" 1
1639 1 27 VAL MG2 1 28 SER HA . . 4.470 4.301 4.108 4.471 0.001 14 0 "[ . 1 . 2]" 1
1640 1 27 VAL MG2 1 30 ARG HA . . 4.160 4.153 4.039 4.192 0.032 10 0 "[ . 1 . 2]" 1
1641 1 25 PHE QB 1 27 VAL MG2 . . 3.330 2.494 2.316 2.779 . 0 0 "[ . 1 . 2]" 1
1642 1 27 VAL MG2 1 31 LEU HG . . 3.310 2.660 1.960 3.491 0.181 3 0 "[ . 1 . 2]" 1
1643 1 102 ILE MG 1 103 ASN H . . 3.630 2.060 1.787 3.617 . 0 0 "[ . 1 . 2]" 1
1644 1 102 ILE MG 1 104 THR H . . 4.330 2.829 1.883 4.326 . 0 0 "[ . 1 . 2]" 1
1645 1 7 GLY H 1 8 PRO QD . . 4.520 4.158 3.596 4.326 . 0 0 "[ . 1 . 2]" 1
1646 1 107 ILE MG 1 108 ASN H . . 3.880 3.245 2.428 3.917 0.037 16 0 "[ . 1 . 2]" 1
1647 1 107 ILE H 1 107 ILE MG . . 3.970 3.328 1.839 3.892 . 0 0 "[ . 1 . 2]" 1
1648 1 86 ILE MG 1 87 ASN H . . 3.800 3.488 2.775 3.783 . 0 0 "[ . 1 . 2]" 1
1649 1 86 ILE H 1 86 ILE MG . . 3.850 3.695 3.657 3.736 . 0 0 "[ . 1 . 2]" 1
1650 1 86 ILE HA 1 86 ILE MG . . 2.990 2.430 2.367 2.547 . 0 0 "[ . 1 . 2]" 1
1651 1 33 GLY HA3 1 71 TRP HH2 . . 3.800 3.384 2.980 3.830 0.030 9 0 "[ . 1 . 2]" 1
1652 1 33 GLY HA3 1 34 LYS HA . . 4.670 4.530 4.415 4.639 . 0 0 "[ . 1 . 2]" 1
1653 1 33 GLY HA3 1 73 ILE MD . . 3.580 3.454 3.075 3.623 0.043 14 0 "[ . 1 . 2]" 1
1654 1 33 GLY HA2 1 36 VAL H . . 4.450 3.934 3.261 4.455 0.005 10 0 "[ . 1 . 2]" 1
1655 1 33 GLY HA2 1 71 TRP HH2 . . 3.700 2.192 1.991 2.420 . 0 0 "[ . 1 . 2]" 1
1656 1 33 GLY HA2 1 71 TRP HZ3 . . 4.250 3.626 2.853 4.210 . 0 0 "[ . 1 . 2]" 1
1657 1 33 GLY HA2 1 34 LYS HA . . 4.590 4.481 4.339 4.661 0.071 6 0 "[ . 1 . 2]" 1
1658 1 10 TYR QD 1 23 VAL MG1 . . 4.550 3.749 2.958 4.408 . 0 0 "[ . 1 . 2]" 1
1659 1 10 TYR QD 1 11 ARG H . . 4.170 3.576 2.996 4.047 . 0 0 "[ . 1 . 2]" 1
1660 1 10 TYR QD 1 12 TRP QB . . 4.690 2.727 2.492 3.163 . 0 0 "[ . 1 . 2]" 1
1661 1 61 TYR QD 1 94 ARG H . . 4.420 3.326 2.638 3.735 . 0 0 "[ . 1 . 2]" 1
1662 1 61 TYR QD 1 92 TRP HD1 . . 4.600 3.666 2.759 4.646 0.046 15 0 "[ . 1 . 2]" 1
1663 1 29 PHE QD 1 30 ARG H . . 4.050 3.574 3.159 3.904 . 0 0 "[ . 1 . 2]" 1
1664 1 29 PHE H 1 29 PHE QD . . 3.600 2.862 2.233 3.069 . 0 0 "[ . 1 . 2]" 1
1665 1 29 PHE QD 1 31 LEU HA . . 4.160 3.031 2.791 3.379 . 0 0 "[ . 1 . 2]" 1
1666 1 27 VAL HB 1 29 PHE QD . . 4.240 3.247 2.971 3.466 . 0 0 "[ . 1 . 2]" 1
1667 1 25 PHE QD 1 79 VAL H . . 4.580 4.095 3.556 4.474 . 0 0 "[ . 1 . 2]" 1
1668 1 25 PHE H 1 25 PHE QD . . 3.860 3.675 3.456 3.817 . 0 0 "[ . 1 . 2]" 1
1669 1 25 PHE QD 1 78 VAL HA . . 4.330 3.953 3.207 4.329 . 0 0 "[ . 1 . 2]" 1
1670 1 25 PHE QD 1 79 VAL HB . . 4.700 4.089 3.632 4.659 . 0 0 "[ . 1 . 2]" 1
1671 1 25 PHE QD 1 49 LEU HG . . 4.330 3.454 3.057 3.772 . 0 0 "[ . 1 . 2]" 1
1672 1 25 PHE QD 1 27 VAL MG1 . . 4.510 4.164 3.811 4.523 0.013 15 0 "[ . 1 . 2]" 1
1673 1 27 VAL MG1 1 29 PHE QE . . 4.180 2.468 2.136 2.695 . 0 0 "[ . 1 . 2]" 1
1674 1 25 PHE QE 1 49 LEU H . . 4.510 4.245 3.567 4.519 0.009 5 0 "[ . 1 . 2]" 1
1675 1 25 PHE QE 1 48 GLY QA . . 4.240 3.642 3.175 4.269 0.029 18 0 "[ . 1 . 2]" 1
1676 1 23 VAL HB 1 25 PHE QE . . 4.110 3.799 3.341 4.121 0.011 19 0 "[ . 1 . 2]" 1
1677 1 25 PHE QE 1 79 VAL HB . . 3.720 2.758 2.132 3.373 . 0 0 "[ . 1 . 2]" 1
1678 1 25 PHE QE 1 49 LEU HG . . 3.970 3.150 2.570 4.025 0.055 10 0 "[ . 1 . 2]" 1
1679 1 29 PHE HZ 1 31 LEU QD . . 4.450 3.427 3.179 3.737 . 0 0 "[ . 1 . 2]" 1
1680 1 25 PHE HZ 1 48 GLY QA . . 3.760 2.810 2.287 3.773 0.013 18 0 "[ . 1 . 2]" 1
1681 1 64 VAL MG2 1 92 TRP HH2 . . 4.440 3.213 2.814 3.674 . 0 0 "[ . 1 . 2]" 1
1682 1 10 TYR QD 1 12 TRP HD1 . . 3.640 3.090 2.545 3.646 0.006 2 0 "[ . 1 . 2]" 1
1683 1 14 GLN HG2 1 91 TRP HH2 . . 4.800 4.109 3.247 4.732 . 0 0 "[ . 1 . 2]" 1
1684 1 47 VAL HA 1 48 GLY H . . 2.900 2.319 2.183 2.486 . 0 0 "[ . 1 . 2]" 1
1685 1 73 ILE HA 1 74 GLU H . . 2.930 2.188 2.176 2.205 . 0 0 "[ . 1 . 2]" 1
1686 1 73 ILE HA 1 80 THR H . . 3.940 2.911 2.547 3.393 . 0 0 "[ . 1 . 2]" 1
1687 1 73 ILE HA 1 73 ILE HG12 . . 3.780 2.801 2.579 3.262 . 0 0 "[ . 1 . 2]" 1
1688 1 73 ILE HA 1 73 ILE HG13 . . 3.610 2.883 2.381 3.407 . 0 0 "[ . 1 . 2]" 1
1689 1 61 TYR HB3 1 92 TRP HE3 . . 4.320 3.094 2.488 3.954 . 0 0 "[ . 1 . 2]" 1
1690 1 92 TRP HB2 1 92 TRP HE3 . . 4.080 3.186 2.552 3.408 . 0 0 "[ . 1 . 2]" 1
1691 1 12 TRP HH2 1 14 GLN HE21 . . 4.630 3.313 2.469 3.879 . 0 0 "[ . 1 . 2]" 1
1692 1 40 ILE MD 1 69 SER HA . . 4.020 4.021 3.857 4.102 0.082 8 0 "[ . 1 . 2]" 1
1693 1 69 SER HA 1 70 SER H . . 3.150 2.401 2.279 2.652 . 0 0 "[ . 1 . 2]" 1
1694 1 69 SER HA 1 84 GLU H . . 4.330 4.101 3.321 4.341 0.011 15 0 "[ . 1 . 2]" 1
1695 1 69 SER HA 1 82 HIS HD2 . . 3.880 3.199 2.217 3.759 . 0 0 "[ . 1 . 2]" 1
1696 1 23 VAL H 1 80 THR HA . . 3.920 3.429 3.159 3.632 . 0 0 "[ . 1 . 2]" 1
1697 1 80 THR HA 1 81 VAL H . . 2.950 2.232 2.185 2.321 . 0 0 "[ . 1 . 2]" 1
1698 1 22 ALA HA 1 80 THR HA . . 3.280 2.076 1.925 2.322 . 0 0 "[ . 1 . 2]" 1
1699 1 78 VAL QG 1 80 THR HA . . 4.330 3.942 3.660 4.233 . 0 0 "[ . 1 . 2]" 1
1700 1 64 VAL HA 1 65 LYS H . . 3.120 2.234 2.198 2.302 . 0 0 "[ . 1 . 2]" 1
1701 1 64 VAL HA 1 86 ILE H . . 3.730 2.854 2.246 3.337 . 0 0 "[ . 1 . 2]" 1
1702 1 64 VAL HA 1 64 VAL MG2 . . 3.740 3.208 3.203 3.217 . 0 0 "[ . 1 . 2]" 1
1703 1 92 TRP H 1 92 TRP HD1 . . 4.160 2.804 2.293 3.642 . 0 0 "[ . 1 . 2]" 1
1704 1 85 LYS HE2 1 92 TRP HD1 . . 4.680 3.231 2.806 3.619 . 0 0 "[ . 1 . 2]" 1
1705 1 85 LYS HD3 1 92 TRP HD1 . . 4.540 4.206 3.575 4.582 0.042 9 0 "[ . 1 . 2]" 1
1706 1 12 TRP HZ3 1 14 GLN HB3 . . 4.300 3.142 2.229 4.002 . 0 0 "[ . 1 . 2]" 1
1707 1 14 GLN HG2 1 91 TRP HZ3 . . 4.620 2.718 2.114 3.227 . 0 0 "[ . 1 . 2]" 1
1708 1 14 GLN HG3 1 91 TRP HZ3 . . 4.690 2.842 1.994 3.603 . 0 0 "[ . 1 . 2]" 1
1709 1 95 LEU HB3 1 96 VAL HA . . 4.780 4.614 4.371 4.892 0.112 15 0 "[ . 1 . 2]" 1
1710 1 16 LEU H 1 91 TRP HZ3 . . 4.570 4.248 3.095 4.575 0.005 12 0 "[ . 1 . 2]" 1
1711 1 96 VAL HA 1 97 THR H . . 3.080 2.393 2.199 3.352 0.272 8 0 "[ . 1 . 2]" 1
1712 1 61 TYR H 1 96 VAL HA . . 3.880 3.435 2.898 3.747 . 0 0 "[ . 1 . 2]" 1
1713 1 60 LEU HA 1 96 VAL HA . . 3.450 2.356 1.910 2.843 . 0 0 "[ . 1 . 2]" 1
1714 1 44 HIS HD2 1 59 GLU HA . . 4.220 3.237 2.071 4.234 0.014 1 0 "[ . 1 . 2]" 1
1715 1 71 TRP HB2 1 71 TRP HE3 . . 3.960 2.476 2.404 2.597 . 0 0 "[ . 1 . 2]" 1
1716 1 12 TRP QB 1 12 TRP HE3 . . 3.750 2.509 2.395 2.617 . 0 0 "[ . 1 . 2]" 1
1717 1 12 TRP HE3 1 19 LEU HB3 . . 4.700 4.402 3.912 4.727 0.027 19 0 "[ . 1 . 2]" 1
1718 1 12 TRP HA 1 22 ALA H . . 4.170 3.489 3.295 3.651 . 0 0 "[ . 1 . 2]" 1
1719 1 12 TRP HA 1 13 THR H . . 3.040 2.291 2.221 2.471 . 0 0 "[ . 1 . 2]" 1
1720 1 12 TRP HA 1 12 TRP HE3 . . 4.750 4.002 3.739 4.275 . 0 0 "[ . 1 . 2]" 1
1721 1 71 TRP HA 1 82 HIS H . . 3.890 3.015 2.440 3.450 . 0 0 "[ . 1 . 2]" 1
1722 1 71 TRP HA 1 72 LEU H . . 3.060 2.438 2.350 2.537 . 0 0 "[ . 1 . 2]" 1
1723 1 71 TRP HA 1 71 TRP HE3 . . 4.530 4.180 4.051 4.304 . 0 0 "[ . 1 . 2]" 1
1724 1 71 TRP HA 1 81 VAL HA . . 3.280 2.189 1.994 2.463 . 0 0 "[ . 1 . 2]" 1
1725 1 71 TRP HA 1 81 VAL MG2 . . 3.770 3.586 3.298 3.782 0.012 4 0 "[ . 1 . 2]" 1
1726 1 91 TRP HB2 1 91 TRP HE3 . . 4.060 2.641 2.399 2.980 . 0 0 "[ . 1 . 2]" 1
1727 1 14 GLN HG2 1 91 TRP HE3 . . 4.690 4.055 3.084 4.715 0.025 7 0 "[ . 1 . 2]" 1
1728 1 14 GLN HA 1 15 THR H . . 3.060 2.568 2.355 2.856 . 0 0 "[ . 1 . 2]" 1
1729 1 14 GLN HA 1 15 THR MG . . 4.290 3.739 2.915 4.297 0.007 14 0 "[ . 1 . 2]" 1
1730 1 19 LEU HA 1 19 LEU HG . . 4.180 2.317 2.179 3.603 . 0 0 "[ . 1 . 2]" 1
1731 1 19 LEU HA 1 20 ASP H . . 3.000 2.227 2.177 2.489 . 0 0 "[ . 1 . 2]" 1
1732 1 14 GLN HA 1 19 LEU HA . . 3.200 2.446 2.097 2.988 . 0 0 "[ . 1 . 2]" 1
1733 1 14 GLN HB2 1 19 LEU HA . . 4.230 2.986 2.479 3.292 . 0 0 "[ . 1 . 2]" 1
1734 1 14 GLN HB3 1 19 LEU HA . . 4.210 2.422 1.975 3.005 . 0 0 "[ . 1 . 2]" 1
1735 1 11 ARG HA 1 12 TRP H . . 2.960 2.351 2.276 2.416 . 0 0 "[ . 1 . 2]" 1
1736 1 11 ARG HA 1 11 ARG HG2 . . 4.200 3.296 2.443 4.178 . 0 0 "[ . 1 . 2]" 1
1737 1 11 ARG HA 1 12 TRP HD1 . . 4.420 3.814 3.293 4.266 . 0 0 "[ . 1 . 2]" 1
1738 1 10 TYR QD 1 11 ARG HA . . 4.530 3.826 3.331 4.273 . 0 0 "[ . 1 . 2]" 1
1739 1 81 VAL MG1 1 82 HIS HA . . 4.690 3.748 3.596 3.908 . 0 0 "[ . 1 . 2]" 1
1740 1 21 LEU H 1 82 HIS HA . . 4.350 3.774 3.374 4.128 . 0 0 "[ . 1 . 2]" 1
1741 1 82 HIS HA 1 83 LEU H . . 2.970 2.207 2.186 2.262 . 0 0 "[ . 1 . 2]" 1
1742 1 20 ASP HA 1 82 HIS HA . . 3.540 2.835 2.367 3.188 . 0 0 "[ . 1 . 2]" 1
1743 1 46 ARG HA 1 47 VAL H . . 2.960 2.242 2.225 2.318 . 0 0 "[ . 1 . 2]" 1
1744 1 46 ARG HA 1 46 ARG HG3 . . 3.800 2.537 2.358 2.833 . 0 0 "[ . 1 . 2]" 1
1745 1 10 TYR QE 1 12 TRP HD1 . . 3.850 2.689 2.141 3.296 . 0 0 "[ . 1 . 2]" 1
1746 1 10 TYR QE 1 56 VAL MG2 . . 3.650 3.073 2.417 3.546 . 0 0 "[ . 1 . 2]" 1
1747 1 10 TYR QE 1 55 VAL QG . . 4.480 3.515 3.095 4.027 . 0 0 "[ . 1 . 2]" 1
1748 1 10 TYR QE 1 21 LEU QD . . 4.400 3.128 2.632 3.884 . 0 0 "[ . 1 . 2]" 1
1749 1 10 TYR QE 1 12 TRP HE1 . . 4.730 4.227 3.501 4.725 . 0 0 "[ . 1 . 2]" 1
1750 1 21 LEU HA 1 22 ALA H . . 3.070 2.271 2.219 2.304 . 0 0 "[ . 1 . 2]" 1
1751 1 13 THR H 1 21 LEU HA . . 4.090 3.591 3.415 3.823 . 0 0 "[ . 1 . 2]" 1
1752 1 12 TRP H 1 21 LEU HA . . 4.750 4.638 4.503 4.755 0.005 1 0 "[ . 1 . 2]" 1
1753 1 12 TRP HA 1 21 LEU HA . . 3.290 2.085 1.973 2.272 . 0 0 "[ . 1 . 2]" 1
1754 1 12 TRP QB 1 21 LEU HA . . 3.500 2.767 2.289 3.095 . 0 0 "[ . 1 . 2]" 1
1755 1 61 TYR QE 1 93 ASN H . . 4.050 3.012 1.944 3.591 . 0 0 "[ . 1 . 2]" 1
1756 1 61 TYR QE 1 90 GLU HG3 . . 4.440 3.629 2.992 4.813 0.373 4 0 "[ . 1 . 2]" 1
1757 1 20 ASP HA 1 21 LEU H . . 2.910 2.321 2.258 2.403 . 0 0 "[ . 1 . 2]" 1
1758 1 20 ASP HA 1 83 LEU H . . 4.140 3.706 3.276 4.074 . 0 0 "[ . 1 . 2]" 1
1759 1 20 ASP HA 1 21 LEU HB3 . . 4.540 4.294 4.170 4.412 . 0 0 "[ . 1 . 2]" 1
1760 1 20 ASP HA 1 21 LEU HB2 . . 4.690 4.734 4.688 4.812 0.122 18 0 "[ . 1 . 2]" 1
1761 1 47 VAL H 1 57 ASP HA . . 4.190 4.179 3.986 4.250 0.060 17 0 "[ . 1 . 2]" 1
1762 1 46 ARG HB2 1 57 ASP HA . . 4.160 3.852 3.238 4.267 0.107 19 0 "[ . 1 . 2]" 1
1763 1 46 ARG HG3 1 57 ASP HA . . 4.630 3.002 2.429 3.499 . 0 0 "[ . 1 . 2]" 1
1764 1 56 VAL MG1 1 57 ASP HA . . 4.160 3.534 3.199 3.887 . 0 0 "[ . 1 . 2]" 1
1765 1 41 GLN H 1 45 LEU HA . . 4.400 3.024 2.164 3.488 . 0 0 "[ . 1 . 2]" 1
1766 1 45 LEU HA 1 46 ARG H . . 3.040 2.245 2.177 2.483 . 0 0 "[ . 1 . 2]" 1
1767 1 22 ALA HA 1 23 VAL H . . 2.850 2.201 2.186 2.250 . 0 0 "[ . 1 . 2]" 1
1768 1 22 ALA HA 1 81 VAL H . . 4.110 3.519 3.311 3.840 . 0 0 "[ . 1 . 2]" 1
1769 1 21 LEU QD 1 22 ALA HA . . 3.670 3.012 2.439 3.579 . 0 0 "[ . 1 . 2]" 1
1770 1 38 VAL HB 1 71 TRP HZ2 . . 4.610 3.463 3.077 3.878 . 0 0 "[ . 1 . 2]" 1
1771 1 6 SER HA 1 7 GLY H . . 3.070 2.397 2.216 2.638 . 0 0 "[ . 1 . 2]" 1
1772 1 7 GLY HA3 1 8 PRO QD . . 2.870 2.376 1.939 2.848 . 0 0 "[ . 1 . 2]" 1
1773 1 7 GLY HA2 1 8 PRO QD . . 2.790 2.222 1.865 2.814 0.024 14 0 "[ . 1 . 2]" 1
1774 1 111 ASN HA 1 112 SER H . . 3.470 2.481 2.293 3.590 0.120 17 0 "[ . 1 . 2]" 1
1775 1 9 ASN HA 1 10 TYR H . . 3.500 3.324 2.834 3.634 0.134 20 0 "[ . 1 . 2]" 1
1776 1 10 TYR HA 1 11 ARG H . . 3.160 2.431 2.367 2.522 . 0 0 "[ . 1 . 2]" 1
1777 1 10 TYR HA 1 10 TYR QD . . 4.260 3.759 3.743 3.775 . 0 0 "[ . 1 . 2]" 1
1778 1 10 TYR HA 1 24 PRO HD3 . . 3.920 3.566 3.103 3.933 0.013 8 0 "[ . 1 . 2]" 1
1779 1 10 TYR HA 1 24 PRO HD2 . . 3.760 3.186 2.798 3.432 . 0 0 "[ . 1 . 2]" 1
1780 1 18 GLU HA 1 19 LEU H . . 3.240 2.449 2.383 2.610 . 0 0 "[ . 1 . 2]" 1
1781 1 18 GLU HA 1 85 LYS H . . 3.720 2.957 2.414 3.337 . 0 0 "[ . 1 . 2]" 1
1782 1 18 GLU HA 1 84 GLU HA . . 3.540 2.550 2.140 3.140 . 0 0 "[ . 1 . 2]" 1
1783 1 18 GLU HA 1 85 LYS HG3 . . 4.160 3.711 2.910 4.182 0.022 20 0 "[ . 1 . 2]" 1
1784 1 18 GLU HA 1 18 GLU HG3 . . 4.250 3.275 2.700 3.652 . 0 0 "[ . 1 . 2]" 1
1785 1 29 PHE HA 1 30 ARG H . . 2.960 2.550 2.470 2.685 . 0 0 "[ . 1 . 2]" 1
1786 1 29 PHE HA 1 29 PHE QD . . 4.000 3.725 3.611 3.753 . 0 0 "[ . 1 . 2]" 1
1787 1 29 PHE HA 1 29 PHE HB3 . . 3.020 2.418 2.396 2.479 . 0 0 "[ . 1 . 2]" 1
1788 1 24 PRO HA 1 25 PHE H . . 3.030 2.256 2.149 2.359 . 0 0 "[ . 1 . 2]" 1
1789 1 24 PRO HA 1 78 VAL QG . . 3.410 2.213 1.791 2.738 . 0 0 "[ . 1 . 2]" 1
1790 1 25 PHE HA 1 25 PHE QD . . 3.840 1.990 1.864 2.458 . 0 0 "[ . 1 . 2]" 1
1791 1 26 ARG HA 1 26 ARG HG3 . . 3.760 3.392 2.872 3.956 0.196 11 0 "[ . 1 . 2]" 1
1792 1 26 ARG HA 1 27 VAL H . . 2.770 2.339 2.270 2.425 . 0 0 "[ . 1 . 2]" 1
1793 1 27 VAL HA 1 28 SER H . . 2.840 2.472 2.365 2.683 . 0 0 "[ . 1 . 2]" 1
1794 1 32 LYS HA 1 32 LYS HG3 . . 3.330 3.152 2.244 4.033 0.703 4 1 "[ +. 1 . 2]" 1
1795 1 32 LYS HA 1 33 GLY H . . 3.080 2.666 2.336 3.619 0.539 13 2 "[ .- 1 + . 2]" 1
1796 1 35 ASP HA 1 50 LYS HB3 . . 3.900 3.553 2.914 4.042 0.142 20 0 "[ . 1 . 2]" 1
1797 1 39 ASP HA 1 40 ILE H . . 2.840 2.304 2.254 2.451 . 0 0 "[ . 1 . 2]" 1
1798 1 40 ILE MG 1 41 GLN HA . . 4.360 3.903 3.527 4.097 . 0 0 "[ . 1 . 2]" 1
1799 1 41 GLN HA 1 42 ARG H . . 3.100 2.610 2.375 2.775 . 0 0 "[ . 1 . 2]" 1
1800 1 43 ARG HA 1 43 ARG HG3 . . 3.220 2.223 2.104 2.374 . 0 0 "[ . 1 . 2]" 1
1801 1 43 ARG HA 1 43 ARG HG2 . . 3.730 2.900 2.675 3.310 . 0 0 "[ . 1 . 2]" 1
1802 1 43 ARG HA 1 60 LEU HB3 . . 4.270 3.883 3.524 4.203 . 0 0 "[ . 1 . 2]" 1
1803 1 43 ARG HA 1 60 LEU H . . 4.510 3.555 3.002 4.116 . 0 0 "[ . 1 . 2]" 1
1804 1 44 HIS HA 1 60 LEU HG . . 3.990 3.051 2.383 4.073 0.083 7 0 "[ . 1 . 2]" 1
1805 1 44 HIS HA 1 60 LEU H . . 3.510 2.440 1.934 2.915 . 0 0 "[ . 1 . 2]" 1
1806 1 62 ASN HB3 1 92 TRP HE1 . . 4.520 3.052 2.103 4.347 . 0 0 "[ . 1 . 2]" 1
1807 1 62 ASN HB2 1 92 TRP HE1 . . 4.620 3.375 2.359 4.553 . 0 0 "[ . 1 . 2]" 1
1808 1 63 GLU HA 1 64 VAL H . . 2.880 2.325 2.202 2.480 . 0 0 "[ . 1 . 2]" 1
1809 1 43 ARG HG3 1 63 GLU HA . . 3.660 2.614 1.962 3.050 . 0 0 "[ . 1 . 2]" 1
1810 1 63 GLU HA 1 64 VAL MG1 . . 4.190 3.827 3.546 4.028 . 0 0 "[ . 1 . 2]" 1
1811 1 74 GLU HA 1 74 GLU HG2 . . 3.400 2.071 1.988 2.174 . 0 0 "[ . 1 . 2]" 1
1812 1 70 SER HA 1 71 TRP HD1 . . 4.350 3.572 3.174 3.978 . 0 0 "[ . 1 . 2]" 1
1813 1 70 SER HA 1 71 TRP H . . 3.040 2.399 2.243 2.841 . 0 0 "[ . 1 . 2]" 1
1814 1 74 GLU HA 1 75 ASP H . . 2.810 2.268 2.226 2.339 . 0 0 "[ . 1 . 2]" 1
1815 1 78 VAL HA 1 79 VAL H . . 2.970 2.283 2.182 2.347 . 0 0 "[ . 1 . 2]" 1
1816 1 25 PHE H 1 78 VAL HA . . 3.680 2.786 2.310 3.176 . 0 0 "[ . 1 . 2]" 1
1817 1 81 VAL HA 1 82 HIS H . . 3.100 2.263 2.183 2.363 . 0 0 "[ . 1 . 2]" 1
1818 1 71 TRP HB2 1 81 VAL HA . . 4.150 2.632 2.268 3.060 . 0 0 "[ . 1 . 2]" 1
1819 1 71 TRP HB3 1 81 VAL HA . . 4.090 2.500 2.183 2.808 . 0 0 "[ . 1 . 2]" 1
1820 1 85 LYS HE3 1 92 TRP HE1 . . 4.770 4.416 3.302 4.768 . 0 0 "[ . 1 . 2]" 1
1821 1 17 ALA HA 1 88 LYS HA . . 3.360 2.474 1.981 2.906 . 0 0 "[ . 1 . 2]" 1
1822 1 85 LYS HD3 1 88 LYS HA . . 4.140 2.903 2.386 4.046 . 0 0 "[ . 1 . 2]" 1
1823 1 85 LYS HD2 1 88 LYS HA . . 4.200 3.020 2.633 4.226 0.026 7 0 "[ . 1 . 2]" 1
1824 1 88 LYS HA 1 88 LYS QG . . 3.350 2.817 1.987 3.376 0.026 20 0 "[ . 1 . 2]" 1
1825 1 90 GLU HA 1 90 GLU HG2 . . 4.260 3.680 3.439 3.829 . 0 0 "[ . 1 . 2]" 1
1826 1 12 TRP HH2 1 94 ARG HA . . 4.230 3.608 2.537 4.234 0.004 5 0 "[ . 1 . 2]" 1
1827 1 12 TRP HZ2 1 94 ARG HA . . 3.170 2.380 1.987 3.135 . 0 0 "[ . 1 . 2]" 1
1828 1 94 ARG HA 1 95 LEU H . . 3.260 2.414 2.225 3.005 . 0 0 "[ . 1 . 2]" 1
1829 1 99 ASP HA 1 100 PRO HD3 . . 2.860 2.087 1.978 2.252 . 0 0 "[ . 1 . 2]" 1
1830 1 108 ASN HA 1 109 PRO HD2 . . 3.050 2.709 2.443 3.036 . 0 0 "[ . 1 . 2]" 1
1831 1 116 ASP HA 1 117 LEU H . . 3.250 2.407 2.341 3.039 . 0 0 "[ . 1 . 2]" 1
1832 1 118 ASP HA 1 119 SER H . . 3.380 2.437 2.254 2.986 . 0 0 "[ . 1 . 2]" 1
1833 1 5 SER H 1 5 SER QB . . 3.830 2.808 2.007 3.338 . 0 0 "[ . 1 . 2]" 1
1834 1 5 SER QB 1 6 SER H . . 4.160 3.076 1.926 4.058 . 0 0 "[ . 1 . 2]" 1
1835 1 18 GLU HB3 1 82 HIS HE1 . . 3.940 2.719 1.996 3.587 . 0 0 "[ . 1 . 2]" 1
1836 1 18 GLU HB2 1 82 HIS HE1 . . 4.160 2.879 2.003 3.892 . 0 0 "[ . 1 . 2]" 1
1837 1 18 GLU HG3 1 82 HIS HE1 . . 4.450 4.110 3.499 4.466 0.016 10 0 "[ . 1 . 2]" 1
1838 1 18 GLU HG2 1 82 HIS HE1 . . 3.890 2.899 2.104 3.723 . 0 0 "[ . 1 . 2]" 1
1839 1 44 HIS HE1 1 58 GLY H . . 4.090 3.168 2.265 4.106 0.016 1 0 "[ . 1 . 2]" 1
1840 1 44 HIS HE1 1 57 ASP HA . . 4.560 3.776 2.665 4.631 0.071 1 0 "[ . 1 . 2]" 1
1841 1 44 HIS HE1 1 58 GLY HA2 . . 4.340 3.358 2.294 4.316 . 0 0 "[ . 1 . 2]" 1
1842 1 23 VAL MG1 1 55 VAL QG . . 3.010 1.825 1.592 2.296 . 0 0 "[ . 1 . 2]" 1
1843 1 23 VAL MG1 1 47 VAL MG1 . . 3.190 3.125 2.746 3.280 0.090 10 0 "[ . 1 . 2]" 1
1844 1 37 VAL QG 1 50 LYS HD2 . . 3.510 2.983 2.343 3.486 . 0 0 "[ . 1 . 2]" 1
1845 1 36 VAL QG 1 38 VAL QG . . 3.070 1.976 1.804 2.183 . 0 0 "[ . 1 . 2]" 1
1846 1 36 VAL QG 1 49 LEU QD . . 3.340 2.403 1.605 3.017 . 0 0 "[ . 1 . 2]" 1
1847 1 36 VAL QG 1 79 VAL MG1 . . 3.280 2.608 2.257 2.847 . 0 0 "[ . 1 . 2]" 1
1848 1 36 VAL QG 1 79 VAL MG2 . . 2.920 2.079 1.730 2.369 . 0 0 "[ . 1 . 2]" 1
1849 1 37 VAL QG 1 50 LYS HG3 . . 3.470 2.077 1.872 2.195 . 0 0 "[ . 1 . 2]" 1
1850 1 37 VAL QG 1 50 LYS HG2 . . 3.530 3.463 3.231 3.604 0.074 20 0 "[ . 1 . 2]" 1
1851 1 38 VAL QG 1 47 VAL MG2 . . 2.970 1.967 1.669 2.222 . 0 0 "[ . 1 . 2]" 1
1852 1 38 VAL QG 1 40 ILE HG13 . . 3.300 2.072 1.860 2.382 . 0 0 "[ . 1 . 2]" 1
1853 1 38 VAL QG 1 40 ILE MD . . 2.910 2.303 1.913 2.645 . 0 0 "[ . 1 . 2]" 1
1854 1 38 VAL QG 1 81 VAL MG2 . . 2.880 2.081 1.862 2.440 . 0 0 "[ . 1 . 2]" 1
1855 1 47 VAL MG2 1 56 VAL HB . . 3.350 2.742 2.257 3.059 . 0 0 "[ . 1 . 2]" 1
1856 1 55 VAL QG 1 56 VAL MG2 . . 3.150 2.497 1.676 2.945 . 0 0 "[ . 1 . 2]" 1
1857 1 60 LEU QD 1 96 VAL QG . . 2.990 2.363 1.936 3.106 0.116 15 0 "[ . 1 . 2]" 1
1858 1 19 LEU QD 1 95 LEU QD . . 3.160 2.116 1.771 2.567 . 0 0 "[ . 1 . 2]" 1
1859 1 21 LEU QD 1 56 VAL MG2 . . 2.980 2.313 1.769 2.753 . 0 0 "[ . 1 . 2]" 1
1860 1 21 LEU QD 1 81 VAL MG2 . . 3.110 2.151 1.840 2.628 . 0 0 "[ . 1 . 2]" 1
1861 1 38 VAL QG 1 45 LEU QD . . 3.350 2.849 2.322 3.099 . 0 0 "[ . 1 . 2]" 1
1862 1 40 ILE HG12 1 45 LEU QD . . 3.530 2.049 1.788 2.794 . 0 0 "[ . 1 . 2]" 1
1863 1 31 LEU HB2 1 73 ILE MG . . 3.140 2.218 1.858 2.553 . 0 0 "[ . 1 . 2]" 1
1864 1 36 VAL QG 1 73 ILE MD . . 3.320 1.885 1.723 2.364 . 0 0 "[ . 1 . 2]" 1
1865 1 73 ILE HB 1 73 ILE MD . . 3.020 2.204 1.985 2.488 . 0 0 "[ . 1 . 2]" 1
1866 1 31 LEU HB2 1 73 ILE MD . . 3.540 3.128 2.031 3.528 . 0 0 "[ . 1 . 2]" 1
1867 1 65 LYS HB2 1 86 ILE MD . . 3.170 2.328 1.993 2.768 . 0 0 "[ . 1 . 2]" 1
1868 1 65 LYS HD3 1 86 ILE MD . . 3.580 3.386 2.831 3.587 0.007 17 0 "[ . 1 . 2]" 1
1869 1 86 ILE HG13 1 86 ILE MG . . 3.090 2.503 2.366 2.673 . 0 0 "[ . 1 . 2]" 1
1870 1 17 ALA MB 1 88 LYS QB . . 3.180 2.465 1.907 3.011 . 0 0 "[ . 1 . 2]" 1
1871 1 22 ALA MB 1 78 VAL QG . . 2.740 2.438 2.166 2.705 . 0 0 "[ . 1 . 2]" 1
1872 1 78 VAL QG 1 80 THR MG . . 2.970 2.412 2.108 2.942 . 0 0 "[ . 1 . 2]" 1
1873 1 74 GLU QB 1 80 THR MG . . 3.680 2.591 2.286 2.859 . 0 0 "[ . 1 . 2]" 1
1874 1 45 LEU HB3 1 56 VAL MG1 . . 3.340 2.564 2.149 2.847 . 0 0 "[ . 1 . 2]" 1
1875 1 45 LEU HB2 1 56 VAL MG1 . . 3.920 3.940 3.665 4.073 0.153 19 0 "[ . 1 . 2]" 1
1876 1 47 VAL MG2 1 56 VAL MG2 . . 3.020 3.006 2.662 3.184 0.164 6 0 "[ . 1 . 2]" 1
1877 1 47 VAL MG1 1 56 VAL MG2 . . 3.720 3.109 2.668 3.556 . 0 0 "[ . 1 . 2]" 1
1878 1 45 LEU HG 1 47 VAL MG2 . . 3.030 2.632 2.005 3.615 0.585 16 1 "[ . 1 .+ 2]" 1
1879 1 47 VAL MG1 1 56 VAL HB . . 3.870 3.822 3.684 3.927 0.057 18 0 "[ . 1 . 2]" 1
1880 1 64 VAL MG2 1 66 VAL QG . . 3.310 2.739 2.260 3.245 . 0 0 "[ . 1 . 2]" 1
1881 1 21 LEU QD 1 81 VAL MG1 . . 3.380 3.095 2.686 3.391 0.011 19 0 "[ . 1 . 2]" 1
1882 1 38 VAL QG 1 81 VAL MG1 . . 3.570 2.717 2.220 3.078 . 0 0 "[ . 1 . 2]" 1
1883 1 45 LEU QD 1 60 LEU QD . . 3.330 2.342 1.918 2.666 . 0 0 "[ . 1 . 2]" 1
1884 1 40 ILE HG13 1 40 ILE MG . . 3.140 3.221 3.196 3.240 0.100 11 0 "[ . 1 . 2]" 1
1885 1 40 ILE HG12 1 40 ILE MG . . 3.440 2.356 2.173 2.482 . 0 0 "[ . 1 . 2]" 1
1886 1 31 LEU HB3 1 73 ILE MD . . 3.300 2.567 1.831 3.310 0.010 15 0 "[ . 1 . 2]" 1
1887 1 102 ILE QG 1 102 ILE MG . . 3.320 2.315 2.089 2.618 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 8
_Distance_constraint_stats_list.Viol_count 154
_Distance_constraint_stats_list.Viol_total 1340.722
_Distance_constraint_stats_list.Viol_max 1.253
_Distance_constraint_stats_list.Viol_rms 0.3316
_Distance_constraint_stats_list.Viol_average_all_restraints 0.4190
_Distance_constraint_stats_list.Viol_average_violations_only 0.4353
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 38 VAL 52.079 1.253 6 20 [*****+******-*******]
1 39 ASP 11.780 0.637 12 20 [*******-***+********]
1 47 VAL 40.494 1.253 6 20 [*****+******-*******]
1 55 VAL 3.293 0.224 6 0 "[ . 1 . 2]"
1 56 VAL 7.228 0.370 6 0 "[ . 1 . 2]"
1 57 ASP 2.816 0.370 6 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 38 VAL HA 1 38 VAL HB . . 2.800 3.012 2.993 3.021 0.221 13 0 "[ . 1 . 2]" 2
2 1 38 VAL HB 1 47 VAL HA . . 4.000 4.993 4.675 5.253 1.253 6 20 [*****+*************-] 2
3 1 38 VAL HB 1 39 ASP H . . 4.000 4.589 4.552 4.637 0.637 12 20 [*******-***+********] 2
4 1 55 VAL HA 1 55 VAL HB . . 2.800 2.898 2.501 3.024 0.224 6 0 "[ . 1 . 2]" 2
5 1 56 VAL HB 1 57 ASP H . . 4.000 4.141 3.997 4.370 0.370 6 0 "[ . 1 . 2]" 2
6 1 56 VAL HA 1 56 VAL HB . . 2.800 3.021 3.013 3.025 0.225 3 0 "[ . 1 . 2]" 2
7 1 38 VAL HA 1 47 VAL HB . . 4.000 4.810 4.375 5.106 1.106 17 17 "[***** ******-** +**2]" 2
8 1 47 VAL HA 1 47 VAL HB . . 2.800 3.022 3.013 3.025 0.225 10 0 "[ . 1 . 2]" 2
stop_
save_
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