NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
518016 |
2l40   |
17213 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l40
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 2635
_Distance_constraint_stats_list.Viol_count 5585
_Distance_constraint_stats_list.Viol_total 8906.039
_Distance_constraint_stats_list.Viol_max 0.926
_Distance_constraint_stats_list.Viol_rms 0.0363
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0084
_Distance_constraint_stats_list.Viol_average_violations_only 0.0797
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 0.546 0.086 10 0 "[ . 1 . 2]"
1 2 SER 2.988 0.104 18 0 "[ . 1 . 2]"
1 3 VAL 4.998 0.104 18 0 "[ . 1 . 2]"
1 4 VAL 4.287 0.146 1 0 "[ . 1 . 2]"
1 5 GLY 0.426 0.091 10 0 "[ . 1 . 2]"
1 6 GLY 2.414 0.116 14 0 "[ . 1 . 2]"
1 7 LEU 7.857 0.146 1 0 "[ . 1 . 2]"
1 8 GLY 5.331 0.442 7 0 "[ . 1 . 2]"
1 9 GLY 6.758 0.442 7 0 "[ . 1 . 2]"
1 10 TYR 13.289 0.253 14 0 "[ . 1 . 2]"
1 11 MET 17.269 0.759 14 6 "[*** . * +. *]"
1 12 LEU 8.125 0.651 2 3 "[ + . 1 -. *]"
1 13 GLY 1.807 0.083 6 0 "[ . 1 . 2]"
1 14 SER 5.990 0.186 12 0 "[ . 1 . 2]"
1 15 ALA 5.318 0.214 14 0 "[ . 1 . 2]"
1 16 MET 18.273 0.926 19 6 "[* . **1 - .* +2]"
1 17 SER 4.988 0.926 19 1 "[ . 1 . +2]"
1 18 ARG 6.289 0.476 9 0 "[ . 1 . 2]"
1 19 PRO 7.987 0.157 8 0 "[ . 1 . 2]"
1 20 MET 22.108 0.760 14 11 "[*** **** 1 +* * -]"
1 21 ILE 14.110 0.661 1 5 "[+-* .* * 1 . 2]"
1 22 HIS 5.612 0.096 2 0 "[ . 1 . 2]"
1 23 PHE 9.385 0.393 10 0 "[ . 1 . 2]"
1 24 GLY 2.703 0.393 10 0 "[ . 1 . 2]"
1 25 ASN 4.210 0.258 14 0 "[ . 1 . 2]"
1 26 ASP 2.534 0.090 20 0 "[ . 1 . 2]"
1 27 TRP 11.438 0.130 11 0 "[ . 1 . 2]"
1 28 GLU 5.439 0.109 8 0 "[ . 1 . 2]"
1 29 ASP 1.626 0.099 8 0 "[ . 1 . 2]"
1 30 ARG 7.755 0.118 19 0 "[ . 1 . 2]"
1 31 TYR 6.769 0.109 8 0 "[ . 1 . 2]"
1 32 TYR 11.588 0.120 10 0 "[ . 1 . 2]"
1 33 ARG 8.053 0.760 14 3 "[ * 1 +. - 2]"
1 34 GLU 2.491 0.113 10 0 "[ . 1 . 2]"
1 35 ASN 2.819 0.167 11 0 "[ . 1 . 2]"
1 36 MET 4.848 0.588 6 1 "[ .+ 1 . 2]"
1 37 TYR 6.256 0.858 9 3 "[ . - +1 *. 2]"
1 38 ARG 7.310 0.858 9 4 "[ .*- +1 *. 2]"
1 39 TYR 7.320 0.588 6 1 "[ .+ 1 . 2]"
1 40 PRO 3.177 0.317 20 0 "[ . 1 . 2]"
1 41 ASN 6.364 0.595 9 5 "[* . *+1 - .* 2]"
1 42 GLN 8.949 0.484 14 0 "[ . 1 . 2]"
1 43 VAL 3.414 0.106 7 0 "[ . 1 . 2]"
1 44 TYR 9.229 0.394 13 0 "[ . 1 . 2]"
1 45 TYR 6.629 0.479 3 0 "[ . 1 . 2]"
1 46 ARG 6.410 0.373 14 0 "[ . 1 . 2]"
1 47 PRO 6.150 0.409 20 0 "[ . 1 . 2]"
1 48 VAL 2.347 0.314 5 0 "[ . 1 . 2]"
1 49 ASP 11.230 0.891 4 7 "[ * +.* ** - . * 2]"
1 50 GLN 16.743 0.891 4 8 "[ **+.* ** - . * 2]"
1 51 ALA 7.113 0.642 3 1 "[ + . 1 . 2]"
1 52 SER 7.926 0.123 18 0 "[ . 1 . 2]"
1 53 ASN 7.791 0.110 9 0 "[ . 1 . 2]"
1 54 GLN 8.710 0.924 6 2 "[ -+ 1 . 2]"
1 55 ASN 7.240 0.106 8 0 "[ . 1 . 2]"
1 56 ASN 4.832 0.113 17 0 "[ . 1 . 2]"
1 57 PHE 5.940 0.403 16 0 "[ . 1 . 2]"
1 58 VAL 1.440 0.107 12 0 "[ . 1 . 2]"
1 59 HIS 4.269 0.094 9 0 "[ . 1 . 2]"
1 60 ASP 2.661 0.111 19 0 "[ . 1 . 2]"
1 61 CYS 4.518 0.134 11 0 "[ . 1 . 2]"
1 62 VAL 4.686 0.134 11 0 "[ . 1 . 2]"
1 63 ASN 9.618 0.109 20 0 "[ . 1 . 2]"
1 64 ILE 20.545 0.121 6 0 "[ . 1 . 2]"
1 65 THR 9.138 0.825 5 7 "[* *+ 1 * -* *]"
1 66 ILE 11.294 0.139 8 0 "[ . 1 . 2]"
1 67 LYS 11.031 0.112 2 0 "[ . 1 . 2]"
1 68 GLN 19.576 0.825 5 7 "[* *+ 1 * -* *]"
1 69 HIS 7.955 0.238 1 0 "[ . 1 . 2]"
1 70 THR 8.349 0.144 2 0 "[ . 1 . 2]"
1 71 VAL 10.233 0.144 2 0 "[ . 1 . 2]"
1 72 THR 5.825 0.103 8 0 "[ . 1 . 2]"
1 73 THR 9.288 0.108 2 0 "[ . 1 . 2]"
1 74 THR 11.127 0.117 18 0 "[ . 1 . 2]"
1 75 THR 4.357 0.109 17 0 "[ . 1 . 2]"
1 76 LYS 11.585 0.125 7 0 "[ . 1 . 2]"
1 77 GLY 5.063 0.440 7 0 "[ . 1 . 2]"
1 78 GLU 8.325 0.440 7 0 "[ . 1 . 2]"
1 79 ASN 12.193 0.117 18 0 "[ . 1 . 2]"
1 80 PHE 12.459 0.607 14 1 "[ . 1 +. 2]"
1 81 THR 8.724 0.317 11 0 "[ . 1 . 2]"
1 82 GLU 5.759 0.594 11 1 "[ . 1+ . 2]"
1 83 THR 7.722 0.130 11 0 "[ . 1 . 2]"
1 84 ASP 0.709 0.066 9 0 "[ . 1 . 2]"
1 85 VAL 12.221 0.877 3 3 "[ + * - 1 . 2]"
1 86 LYS 6.552 0.877 3 3 "[ + * - 1 . 2]"
1 87 MET 9.590 0.143 8 0 "[ . 1 . 2]"
1 88 MET 16.408 0.456 13 0 "[ . 1 . 2]"
1 89 GLU 9.310 0.456 13 0 "[ . 1 . 2]"
1 90 ARG 3.399 0.115 15 0 "[ . 1 . 2]"
1 91 VAL 2.948 0.168 8 0 "[ . 1 . 2]"
1 92 VAL 4.174 0.125 7 0 "[ . 1 . 2]"
1 93 GLU 4.786 0.195 15 0 "[ . 1 . 2]"
1 94 GLN 5.322 0.157 8 0 "[ . 1 . 2]"
1 95 MET 5.632 0.116 19 0 "[ . 1 . 2]"
1 96 CYS 2.179 0.101 4 0 "[ . 1 . 2]"
1 97 VAL 3.639 0.924 6 2 "[ -+ 1 . 2]"
1 98 THR 5.791 0.106 15 0 "[ . 1 . 2]"
1 99 GLN 1.101 0.100 14 0 "[ . 1 . 2]"
1 100 TYR 8.878 0.822 6 2 "[ -+ 1 . 2]"
1 101 GLN 2.829 0.316 6 0 "[ . 1 . 2]"
1 102 LYS 7.989 0.125 4 0 "[ . 1 . 2]"
1 103 GLU 0.915 0.403 16 0 "[ . 1 . 2]"
1 104 SER 1.211 0.192 7 0 "[ . 1 . 2]"
1 105 GLN 12.046 0.911 12 3 "[ . *1 + . - 2]"
1 106 ALA 8.956 0.716 12 2 "[ . -1 + . 2]"
1 107 TYR 8.948 0.123 20 0 "[ . 1 . 2]"
1 108 TYR 9.513 0.911 12 2 "[ . 1 + . - 2]"
1 109 ASP 6.650 0.126 16 0 "[ . 1 . 2]"
1 110 GLY 3.500 0.123 4 0 "[ . 1 . 2]"
1 111 ARG 8.991 0.115 13 0 "[ . 1 . 2]"
1 112 ARG 6.506 0.123 4 0 "[ . 1 . 2]"
1 113 SER 3.441 0.428 3 0 "[ . 1 . 2]"
1 114 SER 1.997 0.098 8 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 1 GLY QA 1 2 SER H . . 3.010 2.235 2.120 2.302 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLY QA 1 2 SER HA . . 4.020 4.030 3.886 4.106 0.086 10 0 "[ . 1 . 2]" 1
3 1 2 SER H 1 2 SER QB . . 3.440 2.980 2.545 3.510 0.070 18 0 "[ . 1 . 2]" 1
4 1 2 SER H 1 3 VAL H . . 4.310 4.241 3.460 4.403 0.093 10 0 "[ . 1 . 2]" 1
5 1 2 SER H 1 3 VAL HB . . 5.500 4.988 3.863 5.579 0.079 11 0 "[ . 1 . 2]" 1
6 1 2 SER H 1 3 VAL QG . . 5.390 4.173 3.032 5.096 . 0 0 "[ . 1 . 2]" 1
7 1 2 SER HA 1 3 VAL H . . 2.720 2.499 2.118 2.795 0.075 4 0 "[ . 1 . 2]" 1
8 1 2 SER HA 1 3 VAL HB . . 4.800 4.578 3.734 4.881 0.081 17 0 "[ . 1 . 2]" 1
9 1 2 SER HA 1 3 VAL QG . . 4.740 3.829 3.081 4.238 . 0 0 "[ . 1 . 2]" 1
10 1 2 SER QB 1 3 VAL H . . 3.460 2.432 1.945 3.274 . 0 0 "[ . 1 . 2]" 1
11 1 2 SER QB 1 3 VAL HA . . 4.130 4.057 3.588 4.234 0.104 18 0 "[ . 1 . 2]" 1
12 1 2 SER QB 1 3 VAL HB . . 5.500 4.263 2.983 5.570 0.070 9 0 "[ . 1 . 2]" 1
13 1 2 SER QB 1 3 VAL QG . . 4.510 3.415 2.049 4.402 . 0 0 "[ . 1 . 2]" 1
14 1 2 SER QB 1 4 VAL H . . 5.460 3.678 2.167 4.629 . 0 0 "[ . 1 . 2]" 1
15 1 3 VAL H 1 3 VAL HB . . 3.140 2.997 2.572 3.235 0.095 4 0 "[ . 1 . 2]" 1
16 1 3 VAL H 1 3 VAL QG . . 3.300 2.564 1.961 3.185 . 0 0 "[ . 1 . 2]" 1
17 1 3 VAL H 1 4 VAL H . . 2.850 2.683 2.099 2.936 0.086 10 0 "[ . 1 . 2]" 1
18 1 3 VAL H 1 4 VAL HA . . 5.500 4.521 3.474 5.289 . 0 0 "[ . 1 . 2]" 1
19 1 3 VAL H 1 7 LEU H . . 5.110 4.971 4.283 5.190 0.080 19 0 "[ . 1 . 2]" 1
20 1 3 VAL HA 1 3 VAL QG . . 3.230 2.223 2.108 2.344 . 0 0 "[ . 1 . 2]" 1
21 1 3 VAL HA 1 4 VAL H . . 2.950 2.777 2.360 3.010 0.060 20 0 "[ . 1 . 2]" 1
22 1 3 VAL HA 1 4 VAL QG . . 5.140 3.800 3.408 4.309 . 0 0 "[ . 1 . 2]" 1
23 1 3 VAL HA 1 5 GLY H . . 5.020 3.904 2.978 4.797 . 0 0 "[ . 1 . 2]" 1
24 1 3 VAL HA 1 7 LEU H . . 5.500 2.785 2.286 3.519 . 0 0 "[ . 1 . 2]" 1
25 1 3 VAL HA 1 8 GLY HA3 . . 4.830 3.834 3.217 4.879 0.049 19 0 "[ . 1 . 2]" 1
26 1 3 VAL HB 1 6 GLY H . . 5.500 5.248 4.174 5.582 0.082 11 0 "[ . 1 . 2]" 1
27 1 3 VAL QG 1 5 GLY H . . 4.820 3.921 2.865 4.632 . 0 0 "[ . 1 . 2]" 1
28 1 3 VAL QG 1 6 GLY H . . 5.140 2.906 2.324 3.373 . 0 0 "[ . 1 . 2]" 1
29 1 3 VAL QG 1 6 GLY QA . . 4.580 3.137 2.070 4.294 . 0 0 "[ . 1 . 2]" 1
30 1 3 VAL QG 1 7 LEU QB . . 4.430 3.823 3.036 4.106 . 0 0 "[ . 1 . 2]" 1
31 1 3 VAL QG 1 8 GLY H . . 5.500 2.370 1.941 3.114 . 0 0 "[ . 1 . 2]" 1
32 1 4 VAL H 1 4 VAL HB . . 2.960 2.545 2.123 3.037 0.077 14 0 "[ . 1 . 2]" 1
33 1 4 VAL H 1 4 VAL QG . . 3.240 2.097 1.652 2.621 . 0 0 "[ . 1 . 2]" 1
34 1 4 VAL H 1 5 GLY H . . 4.260 3.265 2.795 3.655 . 0 0 "[ . 1 . 2]" 1
35 1 4 VAL H 1 5 GLY QA . . 5.170 5.010 4.774 5.199 0.029 7 0 "[ . 1 . 2]" 1
36 1 4 VAL H 1 7 LEU QB . . 5.500 2.846 2.060 3.657 . 0 0 "[ . 1 . 2]" 1
37 1 4 VAL H 1 7 LEU HG . . 5.500 4.594 3.629 5.576 0.076 16 0 "[ . 1 . 2]" 1
38 1 4 VAL HA 1 4 VAL QG . . 3.050 2.244 2.092 2.406 . 0 0 "[ . 1 . 2]" 1
39 1 4 VAL HB 1 5 GLY H . . 4.040 3.493 2.033 4.124 0.084 6 0 "[ . 1 . 2]" 1
40 1 4 VAL HB 1 7 LEU H . . 5.430 4.949 3.860 5.505 0.075 12 0 "[ . 1 . 2]" 1
41 1 4 VAL HB 1 7 LEU QB . . 4.750 3.956 3.139 4.592 . 0 0 "[ . 1 . 2]" 1
42 1 4 VAL HB 1 7 LEU QD . . 5.500 3.614 2.087 4.924 . 0 0 "[ . 1 . 2]" 1
43 1 4 VAL QG 1 5 GLY H . . 3.720 2.683 1.948 3.811 0.091 10 0 "[ . 1 . 2]" 1
44 1 4 VAL QG 1 6 GLY H . . 4.750 4.299 3.286 4.866 0.116 14 0 "[ . 1 . 2]" 1
45 1 4 VAL QG 1 7 LEU H . . 3.760 3.540 2.926 3.882 0.122 20 0 "[ . 1 . 2]" 1
46 1 4 VAL QG 1 7 LEU QB . . 3.850 2.316 2.021 2.814 . 0 0 "[ . 1 . 2]" 1
47 1 4 VAL QG 1 7 LEU QD . . 3.640 2.391 1.800 3.279 . 0 0 "[ . 1 . 2]" 1
48 1 4 VAL QG 1 7 LEU HG . . 3.700 2.908 2.181 3.846 0.146 1 0 "[ . 1 . 2]" 1
49 1 5 GLY H 1 5 GLY QA . . 2.740 2.470 2.398 2.530 . 0 0 "[ . 1 . 2]" 1
50 1 5 GLY H 1 6 GLY H . . 3.340 2.505 1.873 3.286 . 0 0 "[ . 1 . 2]" 1
51 1 5 GLY H 1 7 LEU H . . 4.250 2.601 2.201 3.180 . 0 0 "[ . 1 . 2]" 1
52 1 6 GLY H 1 6 GLY QA . . 2.520 2.336 2.227 2.463 . 0 0 "[ . 1 . 2]" 1
53 1 6 GLY H 1 7 LEU H . . 2.900 2.323 1.834 2.948 0.048 11 0 "[ . 1 . 2]" 1
54 1 6 GLY H 1 7 LEU QB . . 5.350 4.091 3.465 4.578 . 0 0 "[ . 1 . 2]" 1
55 1 6 GLY H 1 7 LEU QD . . 5.500 3.345 1.988 5.257 . 0 0 "[ . 1 . 2]" 1
56 1 6 GLY H 1 8 GLY H . . 4.160 4.129 3.477 4.250 0.090 13 0 "[ . 1 . 2]" 1
57 1 6 GLY QA 1 7 LEU H . . 2.920 2.939 2.682 2.995 0.075 9 0 "[ . 1 . 2]" 1
58 1 6 GLY QA 1 7 LEU QB . . 5.100 4.530 4.102 4.637 . 0 0 "[ . 1 . 2]" 1
59 1 6 GLY QA 1 7 LEU QD . . 5.500 3.311 2.626 4.973 . 0 0 "[ . 1 . 2]" 1
60 1 7 LEU H 1 7 LEU QB . . 2.940 2.140 1.999 2.310 . 0 0 "[ . 1 . 2]" 1
61 1 7 LEU H 1 7 LEU QD . . 4.400 2.242 1.853 3.564 . 0 0 "[ . 1 . 2]" 1
62 1 7 LEU H 1 7 LEU HG . . 4.040 3.590 3.030 3.979 . 0 0 "[ . 1 . 2]" 1
63 1 7 LEU H 1 8 GLY H . . 3.280 2.953 2.281 3.290 0.010 3 0 "[ . 1 . 2]" 1
64 1 7 LEU H 1 10 TYR H . . 5.410 5.482 5.385 5.501 0.091 9 0 "[ . 1 . 2]" 1
65 1 7 LEU H 1 10 TYR QD . . 5.170 4.718 4.504 4.930 . 0 0 "[ . 1 . 2]" 1
66 1 7 LEU H 1 10 TYR QE . . 5.500 5.197 4.926 5.540 0.040 15 0 "[ . 1 . 2]" 1
67 1 7 LEU HA 1 7 LEU QD . . 3.050 2.322 2.023 2.860 . 0 0 "[ . 1 . 2]" 1
68 1 7 LEU HA 1 7 LEU HG . . 4.120 3.320 2.022 3.801 . 0 0 "[ . 1 . 2]" 1
69 1 7 LEU HA 1 8 GLY H . . 3.030 3.083 2.937 3.121 0.091 4 0 "[ . 1 . 2]" 1
70 1 7 LEU HA 1 9 GLY H . . 4.870 3.671 3.220 4.061 . 0 0 "[ . 1 . 2]" 1
71 1 7 LEU HA 1 10 TYR H . . 4.920 3.084 2.880 3.266 . 0 0 "[ . 1 . 2]" 1
72 1 7 LEU HA 1 10 TYR HB2 . . 5.090 2.370 2.135 2.773 . 0 0 "[ . 1 . 2]" 1
73 1 7 LEU HA 1 10 TYR QD . . 3.510 2.406 2.021 2.632 . 0 0 "[ . 1 . 2]" 1
74 1 7 LEU HA 1 10 TYR QE . . 4.690 3.718 3.381 4.102 . 0 0 "[ . 1 . 2]" 1
75 1 7 LEU HA 1 64 ILE MD . . 5.260 5.232 4.428 5.357 0.097 11 0 "[ . 1 . 2]" 1
76 1 7 LEU HA 1 64 ILE QG . . 5.390 3.958 3.563 4.112 . 0 0 "[ . 1 . 2]" 1
77 1 7 LEU QB 1 7 LEU HG . . 2.710 2.231 2.102 2.533 . 0 0 "[ . 1 . 2]" 1
78 1 7 LEU QB 1 8 GLY H . . 4.140 3.600 3.230 3.830 . 0 0 "[ . 1 . 2]" 1
79 1 7 LEU QB 1 9 GLY H . . 5.240 4.214 3.908 4.654 . 0 0 "[ . 1 . 2]" 1
80 1 7 LEU QB 1 10 TYR H . . 4.800 3.884 3.483 4.504 . 0 0 "[ . 1 . 2]" 1
81 1 7 LEU QB 1 10 TYR HB2 . . 4.540 3.010 2.505 3.682 . 0 0 "[ . 1 . 2]" 1
82 1 7 LEU QB 1 10 TYR HB3 . . 4.990 4.283 3.740 4.724 . 0 0 "[ . 1 . 2]" 1
83 1 7 LEU QB 1 10 TYR QD . . 4.590 4.211 3.745 4.364 . 0 0 "[ . 1 . 2]" 1
84 1 7 LEU QB 1 64 ILE QG . . 5.500 4.750 2.612 5.056 . 0 0 "[ . 1 . 2]" 1
85 1 7 LEU QD 1 8 GLY H . . 4.680 4.175 3.998 4.491 . 0 0 "[ . 1 . 2]" 1
86 1 7 LEU QD 1 10 TYR H . . 5.500 3.824 3.312 4.288 . 0 0 "[ . 1 . 2]" 1
87 1 7 LEU QD 1 10 TYR HA . . 5.130 4.421 4.251 4.737 . 0 0 "[ . 1 . 2]" 1
88 1 7 LEU QD 1 10 TYR HB2 . . 4.370 2.218 1.933 2.485 . 0 0 "[ . 1 . 2]" 1
89 1 7 LEU QD 1 10 TYR HB3 . . 4.850 2.486 2.301 2.662 . 0 0 "[ . 1 . 2]" 1
90 1 7 LEU QD 1 10 TYR QD . . 3.770 2.988 2.662 3.384 . 0 0 "[ . 1 . 2]" 1
91 1 7 LEU QD 1 10 TYR QE . . 4.630 3.796 3.258 4.207 . 0 0 "[ . 1 . 2]" 1
92 1 7 LEU QD 1 44 TYR QD . . 4.460 2.731 2.498 2.961 . 0 0 "[ . 1 . 2]" 1
93 1 7 LEU QD 1 44 TYR QE . . 4.100 3.507 2.881 4.058 . 0 0 "[ . 1 . 2]" 1
94 1 7 LEU QD 1 64 ILE QG . . 2.400 2.255 2.027 2.440 0.040 10 0 "[ . 1 . 2]" 1
95 1 7 LEU QD 1 64 ILE MG . . 3.350 1.818 1.747 1.888 . 0 0 "[ . 1 . 2]" 1
96 1 7 LEU QD 1 68 GLN HE21 . . 5.500 3.138 2.331 4.436 . 0 0 "[ . 1 . 2]" 1
97 1 7 LEU QD 1 68 GLN QE . . 3.820 2.753 1.950 3.467 . 0 0 "[ . 1 . 2]" 1
98 1 7 LEU QD 1 68 GLN HE22 . . 5.490 3.216 2.000 3.797 . 0 0 "[ . 1 . 2]" 1
99 1 7 LEU QD 1 68 GLN HG2 . . 4.610 2.702 2.224 3.552 . 0 0 "[ . 1 . 2]" 1
100 1 7 LEU QD 1 68 GLN HG3 . . 5.270 2.635 2.067 3.658 . 0 0 "[ . 1 . 2]" 1
101 1 7 LEU HG 1 10 TYR HB2 . . 5.110 4.100 2.783 4.682 . 0 0 "[ . 1 . 2]" 1
102 1 7 LEU HG 1 10 TYR HB3 . . 5.420 4.906 3.416 5.482 0.062 11 0 "[ . 1 . 2]" 1
103 1 7 LEU HG 1 10 TYR QD . . 5.500 4.969 3.491 5.571 0.071 12 0 "[ . 1 . 2]" 1
104 1 8 GLY H 1 8 GLY HA2 . . 2.910 2.866 2.711 2.936 0.026 18 0 "[ . 1 . 2]" 1
105 1 8 GLY H 1 9 GLY H . . 3.580 3.278 2.789 3.652 0.072 2 0 "[ . 1 . 2]" 1
106 1 8 GLY H 1 10 TYR H . . 5.090 4.028 3.829 4.169 . 0 0 "[ . 1 . 2]" 1
107 1 8 GLY H 1 10 TYR QD . . 5.240 3.591 3.271 4.106 . 0 0 "[ . 1 . 2]" 1
108 1 8 GLY HA2 1 9 GLY H . . 3.180 2.996 2.483 3.622 0.442 7 0 "[ . 1 . 2]" 1
109 1 8 GLY HA2 1 10 TYR H . . 4.690 4.240 3.957 4.678 . 0 0 "[ . 1 . 2]" 1
110 1 8 GLY HA2 1 10 TYR QD . . 5.220 5.150 4.917 5.473 0.253 14 0 "[ . 1 . 2]" 1
111 1 8 GLY HA3 1 10 TYR H . . 4.810 4.787 4.580 4.875 0.065 13 0 "[ . 1 . 2]" 1
112 1 9 GLY H 1 9 GLY HA3 . . 2.830 2.801 2.552 2.917 0.087 3 0 "[ . 1 . 2]" 1
113 1 9 GLY H 1 10 TYR H . . 3.310 1.748 1.606 1.916 . 0 0 "[ . 1 . 2]" 1
114 1 9 GLY H 1 10 TYR HA . . 5.500 4.302 4.032 4.479 . 0 0 "[ . 1 . 2]" 1
115 1 9 GLY H 1 10 TYR HB2 . . 5.170 3.523 3.413 3.667 . 0 0 "[ . 1 . 2]" 1
116 1 9 GLY H 1 10 TYR HB3 . . 4.870 4.955 4.943 4.963 0.093 7 0 "[ . 1 . 2]" 1
117 1 9 GLY H 1 10 TYR QD . . 4.240 2.922 2.081 3.673 . 0 0 "[ . 1 . 2]" 1
118 1 9 GLY HA2 1 10 TYR QD . . 5.030 4.905 4.645 5.114 0.084 15 0 "[ . 1 . 2]" 1
119 1 9 GLY HA3 1 10 TYR H . . 3.600 3.396 3.108 3.577 . 0 0 "[ . 1 . 2]" 1
120 1 9 GLY HA3 1 10 TYR QD . . 4.210 4.150 3.757 4.297 0.087 16 0 "[ . 1 . 2]" 1
121 1 9 GLY HA3 1 11 MET ME . . 4.490 4.501 4.182 4.596 0.106 1 0 "[ . 1 . 2]" 1
122 1 9 GLY HA3 1 46 ARG HG2 . . 5.500 4.903 4.101 5.575 0.075 18 0 "[ . 1 . 2]" 1
123 1 10 TYR H 1 10 TYR HB2 . . 3.290 2.109 1.864 2.233 . 0 0 "[ . 1 . 2]" 1
124 1 10 TYR H 1 10 TYR HB3 . . 3.640 3.389 3.215 3.451 . 0 0 "[ . 1 . 2]" 1
125 1 10 TYR H 1 10 TYR QD . . 3.080 2.258 1.963 2.509 . 0 0 "[ . 1 . 2]" 1
126 1 10 TYR H 1 10 TYR QE . . 4.740 4.595 4.289 4.813 0.073 14 0 "[ . 1 . 2]" 1
127 1 10 TYR H 1 11 MET H . . 4.740 4.524 4.432 4.633 . 0 0 "[ . 1 . 2]" 1
128 1 10 TYR H 1 64 ILE MG . . 5.500 5.575 5.236 5.613 0.113 10 0 "[ . 1 . 2]" 1
129 1 10 TYR HA 1 10 TYR QD . . 3.280 3.108 3.011 3.158 . 0 0 "[ . 1 . 2]" 1
130 1 10 TYR HA 1 10 TYR QE . . 4.690 4.647 4.419 4.750 0.060 11 0 "[ . 1 . 2]" 1
131 1 10 TYR HA 1 11 MET H . . 3.100 2.361 2.187 2.452 . 0 0 "[ . 1 . 2]" 1
132 1 10 TYR HA 1 11 MET QG . . 5.290 4.290 2.835 5.271 . 0 0 "[ . 1 . 2]" 1
133 1 10 TYR HA 1 45 TYR H . . 4.810 4.499 4.183 4.868 0.058 19 0 "[ . 1 . 2]" 1
134 1 10 TYR HA 1 46 ARG HA . . 2.470 2.316 2.029 2.553 0.083 4 0 "[ . 1 . 2]" 1
135 1 10 TYR HA 1 46 ARG HB3 . . 4.690 4.516 3.902 4.933 0.243 15 0 "[ . 1 . 2]" 1
136 1 10 TYR HA 1 46 ARG HG2 . . 4.670 2.999 2.325 3.644 . 0 0 "[ . 1 . 2]" 1
137 1 10 TYR HA 1 46 ARG HG3 . . 4.840 3.813 2.574 4.786 . 0 0 "[ . 1 . 2]" 1
138 1 10 TYR HB2 1 11 MET H . . 4.270 3.839 3.597 4.251 . 0 0 "[ . 1 . 2]" 1
139 1 10 TYR HB2 1 44 TYR QD . . 4.710 4.494 3.855 4.795 0.085 2 0 "[ . 1 . 2]" 1
140 1 10 TYR HB2 1 45 TYR H . . 5.500 5.194 4.830 5.554 0.054 4 0 "[ . 1 . 2]" 1
141 1 10 TYR HB2 1 64 ILE MG . . 4.500 3.916 3.672 4.026 . 0 0 "[ . 1 . 2]" 1
142 1 10 TYR HB3 1 11 MET H . . 3.990 2.551 2.251 3.103 . 0 0 "[ . 1 . 2]" 1
143 1 10 TYR HB3 1 44 TYR QD . . 4.320 3.590 2.584 4.154 . 0 0 "[ . 1 . 2]" 1
144 1 10 TYR HB3 1 45 TYR H . . 4.870 3.476 3.103 3.853 . 0 0 "[ . 1 . 2]" 1
145 1 10 TYR HB3 1 46 ARG HA . . 5.490 4.337 4.016 4.795 . 0 0 "[ . 1 . 2]" 1
146 1 10 TYR HB3 1 46 ARG HG2 . . 5.500 4.823 4.250 5.578 0.078 15 0 "[ . 1 . 2]" 1
147 1 10 TYR HB3 1 64 ILE MG . . 4.380 3.461 3.019 3.663 . 0 0 "[ . 1 . 2]" 1
148 1 10 TYR QD 1 11 MET H . . 3.750 3.692 3.439 3.844 0.094 12 0 "[ . 1 . 2]" 1
149 1 10 TYR QD 1 44 TYR HA . . 4.660 4.635 4.375 4.751 0.091 7 0 "[ . 1 . 2]" 1
150 1 10 TYR QD 1 44 TYR HB2 . . 5.370 4.273 3.842 4.668 . 0 0 "[ . 1 . 2]" 1
151 1 10 TYR QD 1 44 TYR HB3 . . 5.080 3.054 2.664 3.457 . 0 0 "[ . 1 . 2]" 1
152 1 10 TYR QD 1 45 TYR H . . 3.770 3.215 2.770 3.593 . 0 0 "[ . 1 . 2]" 1
153 1 10 TYR QD 1 45 TYR HA . . 3.610 3.107 2.895 3.323 . 0 0 "[ . 1 . 2]" 1
154 1 10 TYR QD 1 46 ARG H . . 4.270 4.135 3.788 4.340 0.070 2 0 "[ . 1 . 2]" 1
155 1 10 TYR QD 1 46 ARG HB2 . . 5.500 4.990 4.235 5.398 . 0 0 "[ . 1 . 2]" 1
156 1 10 TYR QD 1 46 ARG HG2 . . 4.280 3.362 3.043 3.826 . 0 0 "[ . 1 . 2]" 1
157 1 10 TYR QD 1 46 ARG HG3 . . 4.130 3.443 2.863 4.198 0.068 9 0 "[ . 1 . 2]" 1
158 1 10 TYR QD 1 64 ILE HB . . 4.930 3.659 3.436 3.849 . 0 0 "[ . 1 . 2]" 1
159 1 10 TYR QD 1 64 ILE MD . . 4.270 4.317 4.090 4.391 0.121 6 0 "[ . 1 . 2]" 1
160 1 10 TYR QD 1 64 ILE QG . . 4.280 3.533 3.245 3.725 . 0 0 "[ . 1 . 2]" 1
161 1 10 TYR QD 1 64 ILE MG . . 3.350 2.457 2.241 2.650 . 0 0 "[ . 1 . 2]" 1
162 1 10 TYR QE 1 44 TYR HB3 . . 5.000 4.809 4.380 5.094 0.094 19 0 "[ . 1 . 2]" 1
163 1 10 TYR QE 1 45 TYR H . . 5.500 5.152 4.616 5.563 0.063 19 0 "[ . 1 . 2]" 1
164 1 10 TYR QE 1 45 TYR HA . . 4.170 3.537 2.961 3.979 . 0 0 "[ . 1 . 2]" 1
165 1 10 TYR QE 1 46 ARG H . . 4.740 4.232 3.832 4.639 . 0 0 "[ . 1 . 2]" 1
166 1 10 TYR QE 1 46 ARG HB2 . . 5.140 4.618 3.781 5.162 0.022 3 0 "[ . 1 . 2]" 1
167 1 10 TYR QE 1 46 ARG HB3 . . 5.420 5.247 5.030 5.491 0.071 13 0 "[ . 1 . 2]" 1
168 1 10 TYR QE 1 46 ARG HD2 . . 4.850 4.148 3.302 4.898 0.048 8 0 "[ . 1 . 2]" 1
169 1 10 TYR QE 1 46 ARG HD3 . . 4.780 4.040 2.634 4.727 . 0 0 "[ . 1 . 2]" 1
170 1 10 TYR QE 1 46 ARG HE . . 3.750 2.766 1.989 3.836 0.086 6 0 "[ . 1 . 2]" 1
171 1 10 TYR QE 1 46 ARG HG2 . . 4.240 3.583 3.053 4.306 0.066 4 0 "[ . 1 . 2]" 1
172 1 10 TYR QE 1 46 ARG HG3 . . 3.720 3.039 2.816 3.377 . 0 0 "[ . 1 . 2]" 1
173 1 10 TYR QE 1 60 ASP QB . . 5.190 2.871 2.418 3.845 . 0 0 "[ . 1 . 2]" 1
174 1 10 TYR QE 1 64 ILE HB . . 4.110 2.675 2.497 3.118 . 0 0 "[ . 1 . 2]" 1
175 1 10 TYR QE 1 64 ILE MD . . 4.280 2.702 2.389 3.051 . 0 0 "[ . 1 . 2]" 1
176 1 10 TYR QE 1 64 ILE QG . . 3.550 2.767 2.474 3.164 . 0 0 "[ . 1 . 2]" 1
177 1 10 TYR QE 1 64 ILE MG . . 3.200 3.027 2.717 3.317 0.117 4 0 "[ . 1 . 2]" 1
178 1 11 MET H 1 11 MET HB2 . . 3.850 2.602 2.141 2.948 . 0 0 "[ . 1 . 2]" 1
179 1 11 MET H 1 11 MET ME . . 4.650 3.641 2.711 4.684 0.034 2 0 "[ . 1 . 2]" 1
180 1 11 MET H 1 11 MET QG . . 3.930 3.415 2.444 3.989 0.059 5 0 "[ . 1 . 2]" 1
181 1 11 MET H 1 11 MET HG3 . . 4.140 3.618 2.596 4.231 0.091 12 0 "[ . 1 . 2]" 1
182 1 11 MET H 1 12 LEU H . . 5.210 4.383 4.301 4.485 . 0 0 "[ . 1 . 2]" 1
183 1 11 MET H 1 44 TYR HA . . 5.080 4.501 4.081 5.037 . 0 0 "[ . 1 . 2]" 1
184 1 11 MET H 1 45 TYR H . . 3.890 2.783 2.431 3.154 . 0 0 "[ . 1 . 2]" 1
185 1 11 MET H 1 45 TYR QE . . 4.820 4.750 4.505 4.907 0.087 4 0 "[ . 1 . 2]" 1
186 1 11 MET H 1 46 ARG HA . . 4.680 3.309 2.916 3.768 . 0 0 "[ . 1 . 2]" 1
187 1 11 MET H 1 47 PRO HD2 . . 5.390 5.454 5.052 5.799 0.409 20 0 "[ . 1 . 2]" 1
188 1 11 MET HA 1 11 MET ME . . 3.770 3.677 3.157 3.877 0.107 10 0 "[ . 1 . 2]" 1
189 1 11 MET HA 1 11 MET QG . . 3.590 2.325 1.988 2.752 . 0 0 "[ . 1 . 2]" 1
190 1 11 MET HA 1 12 LEU H . . 2.900 2.296 2.056 2.520 . 0 0 "[ . 1 . 2]" 1
191 1 11 MET HA 1 12 LEU HA . . 4.300 4.385 4.377 4.392 0.092 1 0 "[ . 1 . 2]" 1
192 1 11 MET HA 1 12 LEU HB2 . . 4.560 4.262 3.939 4.605 0.045 9 0 "[ . 1 . 2]" 1
193 1 11 MET HA 1 12 LEU HB3 . . 4.680 4.324 4.148 4.576 . 0 0 "[ . 1 . 2]" 1
194 1 11 MET HA 1 45 TYR H . . 5.460 4.802 4.681 4.929 . 0 0 "[ . 1 . 2]" 1
195 1 11 MET HB2 1 11 MET ME . . 3.400 3.122 2.178 4.159 0.759 14 6 "[-** . * +. *]" 1
196 1 11 MET HB2 1 12 LEU H . . 4.320 3.796 3.353 4.251 . 0 0 "[ . 1 . 2]" 1
197 1 11 MET HB2 1 45 TYR H . . 4.980 4.028 3.351 4.675 . 0 0 "[ . 1 . 2]" 1
198 1 11 MET HB2 1 45 TYR QE . . 4.030 2.968 2.537 3.582 . 0 0 "[ . 1 . 2]" 1
199 1 11 MET HB3 1 11 MET ME . . 4.700 3.702 3.416 4.137 . 0 0 "[ . 1 . 2]" 1
200 1 11 MET HB3 1 12 LEU H . . 3.700 2.669 1.976 3.151 . 0 0 "[ . 1 . 2]" 1
201 1 11 MET HB3 1 45 TYR H . . 5.500 4.816 4.438 5.058 . 0 0 "[ . 1 . 2]" 1
202 1 11 MET HB3 1 45 TYR QD . . 4.490 4.521 4.018 4.969 0.479 3 0 "[ . 1 . 2]" 1
203 1 11 MET HB3 1 45 TYR QE . . 3.990 3.387 2.692 3.854 . 0 0 "[ . 1 . 2]" 1
204 1 11 MET ME 1 11 MET QG . . 2.780 2.171 1.954 2.456 . 0 0 "[ . 1 . 2]" 1
205 1 11 MET ME 1 12 LEU H . . 5.480 5.237 4.802 5.467 . 0 0 "[ . 1 . 2]" 1
206 1 11 MET ME 1 45 TYR QD . . 5.100 4.823 3.888 5.209 0.109 20 0 "[ . 1 . 2]" 1
207 1 11 MET ME 1 47 PRO HB3 . . 3.620 2.513 2.161 2.913 . 0 0 "[ . 1 . 2]" 1
208 1 11 MET ME 1 47 PRO HD2 . . 4.590 3.631 3.393 3.936 . 0 0 "[ . 1 . 2]" 1
209 1 11 MET ME 1 47 PRO HD3 . . 4.910 2.257 2.027 2.599 . 0 0 "[ . 1 . 2]" 1
210 1 11 MET QG 1 45 TYR QE . . 5.100 3.987 2.969 5.100 0.000 4 0 "[ . 1 . 2]" 1
211 1 11 MET QG 1 47 PRO HD3 . . 5.250 4.115 2.096 5.302 0.052 15 0 "[ . 1 . 2]" 1
212 1 11 MET HG3 1 12 LEU H . . 4.670 4.179 3.058 5.321 0.651 2 3 "[ + . 1 -. *]" 1
213 1 12 LEU H 1 12 LEU HB2 . . 3.310 3.014 2.791 3.141 . 0 0 "[ . 1 . 2]" 1
214 1 12 LEU H 1 12 LEU HB3 . . 3.140 2.476 2.253 2.641 . 0 0 "[ . 1 . 2]" 1
215 1 12 LEU H 1 12 LEU QD . . 4.310 3.780 3.632 3.925 . 0 0 "[ . 1 . 2]" 1
216 1 12 LEU H 1 12 LEU HG . . 4.840 4.601 4.248 4.897 0.057 1 0 "[ . 1 . 2]" 1
217 1 12 LEU H 1 13 GLY H . . 5.090 4.299 4.028 4.585 . 0 0 "[ . 1 . 2]" 1
218 1 12 LEU H 1 44 TYR HA . . 5.500 4.779 4.638 4.915 . 0 0 "[ . 1 . 2]" 1
219 1 12 LEU H 1 44 TYR QE . . 5.000 5.008 4.511 5.101 0.101 4 0 "[ . 1 . 2]" 1
220 1 12 LEU H 1 45 TYR QE . . 5.500 4.712 3.983 5.302 . 0 0 "[ . 1 . 2]" 1
221 1 12 LEU HA 1 12 LEU QD . . 3.220 2.226 2.108 2.345 . 0 0 "[ . 1 . 2]" 1
222 1 12 LEU HA 1 13 GLY H . . 3.290 2.231 2.113 2.414 . 0 0 "[ . 1 . 2]" 1
223 1 12 LEU HA 1 13 GLY HA2 . . 5.080 4.455 4.326 4.559 . 0 0 "[ . 1 . 2]" 1
224 1 12 LEU HA 1 44 TYR HA . . 3.730 2.295 2.071 2.460 . 0 0 "[ . 1 . 2]" 1
225 1 12 LEU HA 1 44 TYR QD . . 4.460 3.185 2.848 3.981 . 0 0 "[ . 1 . 2]" 1
226 1 12 LEU HA 1 44 TYR QE . . 4.820 4.161 3.915 4.543 . 0 0 "[ . 1 . 2]" 1
227 1 12 LEU HA 1 45 TYR H . . 4.690 3.725 3.485 3.889 . 0 0 "[ . 1 . 2]" 1
228 1 12 LEU HB2 1 12 LEU QD . . 3.230 2.370 2.086 2.602 . 0 0 "[ . 1 . 2]" 1
229 1 12 LEU HB2 1 13 GLY H . . 5.150 4.311 3.975 4.510 . 0 0 "[ . 1 . 2]" 1
230 1 12 LEU HB2 1 44 TYR HA . . 5.130 4.005 3.505 4.382 . 0 0 "[ . 1 . 2]" 1
231 1 12 LEU HB2 1 44 TYR QD . . 4.170 2.732 2.294 3.310 . 0 0 "[ . 1 . 2]" 1
232 1 12 LEU HB2 1 44 TYR QE . . 3.180 2.347 2.159 2.906 . 0 0 "[ . 1 . 2]" 1
233 1 12 LEU HB3 1 12 LEU QD . . 3.170 2.186 2.101 2.290 . 0 0 "[ . 1 . 2]" 1
234 1 12 LEU HB3 1 13 GLY H . . 5.080 4.328 3.960 4.460 . 0 0 "[ . 1 . 2]" 1
235 1 12 LEU HB3 1 44 TYR QD . . 4.750 4.343 3.984 4.777 0.027 20 0 "[ . 1 . 2]" 1
236 1 12 LEU HB3 1 44 TYR QE . . 3.890 3.749 3.423 3.973 0.083 8 0 "[ . 1 . 2]" 1
237 1 12 LEU QD 1 13 GLY H . . 3.630 2.244 1.890 2.448 . 0 0 "[ . 1 . 2]" 1
238 1 12 LEU QD 1 13 GLY HA2 . . 5.190 4.057 3.744 4.608 . 0 0 "[ . 1 . 2]" 1
239 1 12 LEU QD 1 42 GLN H . . 5.500 4.652 4.265 5.314 . 0 0 "[ . 1 . 2]" 1
240 1 12 LEU QD 1 42 GLN HB2 . . 3.820 2.848 2.396 3.406 . 0 0 "[ . 1 . 2]" 1
241 1 12 LEU QD 1 42 GLN HB3 . . 3.800 2.107 1.902 2.488 . 0 0 "[ . 1 . 2]" 1
242 1 12 LEU QD 1 42 GLN QE . . 3.870 2.156 1.824 2.883 . 0 0 "[ . 1 . 2]" 1
243 1 12 LEU QD 1 42 GLN HG2 . . 5.270 3.382 2.766 4.066 . 0 0 "[ . 1 . 2]" 1
244 1 12 LEU QD 1 42 GLN HG3 . . 5.030 4.013 3.789 4.639 . 0 0 "[ . 1 . 2]" 1
245 1 12 LEU QD 1 43 VAL H . . 4.590 2.950 2.516 3.263 . 0 0 "[ . 1 . 2]" 1
246 1 12 LEU QD 1 43 VAL QG . . 5.500 3.866 3.480 4.213 . 0 0 "[ . 1 . 2]" 1
247 1 12 LEU QD 1 44 TYR H . . 5.260 3.859 3.298 4.392 . 0 0 "[ . 1 . 2]" 1
248 1 12 LEU QD 1 44 TYR HA . . 4.540 2.946 2.459 3.372 . 0 0 "[ . 1 . 2]" 1
249 1 12 LEU QD 1 44 TYR QD . . 4.020 2.952 2.516 3.144 . 0 0 "[ . 1 . 2]" 1
250 1 12 LEU QD 1 44 TYR QE . . 3.420 2.706 2.370 3.009 . 0 0 "[ . 1 . 2]" 1
251 1 12 LEU QD 1 45 TYR H . . 5.500 4.753 4.447 5.063 . 0 0 "[ . 1 . 2]" 1
252 1 12 LEU QD 1 45 TYR QD . . 4.930 4.654 4.275 4.927 . 0 0 "[ . 1 . 2]" 1
253 1 12 LEU QD 1 45 TYR QE . . 4.770 4.350 3.930 4.724 . 0 0 "[ . 1 . 2]" 1
254 1 12 LEU QD 1 64 ILE MG . . 5.270 5.071 4.817 5.248 . 0 0 "[ . 1 . 2]" 1
255 1 12 LEU QD 1 65 THR MG . . 5.500 4.168 3.621 4.680 . 0 0 "[ . 1 . 2]" 1
256 1 12 LEU HG 1 13 GLY H . . 5.110 4.101 2.693 4.997 . 0 0 "[ . 1 . 2]" 1
257 1 12 LEU HG 1 42 GLN HB2 . . 5.500 4.991 4.044 5.733 0.233 8 0 "[ . 1 . 2]" 1
258 1 12 LEU HG 1 42 GLN QE . . 4.590 3.410 2.202 4.178 . 0 0 "[ . 1 . 2]" 1
259 1 12 LEU HG 1 42 GLN HG2 . . 5.500 5.242 4.354 5.593 0.093 18 0 "[ . 1 . 2]" 1
260 1 13 GLY H 1 14 SER H . . 4.480 4.499 4.091 4.563 0.083 6 0 "[ . 1 . 2]" 1
261 1 13 GLY H 1 43 VAL H . . 4.700 3.197 2.773 3.579 . 0 0 "[ . 1 . 2]" 1
262 1 13 GLY H 1 43 VAL QG . . 4.950 3.545 3.239 4.061 . 0 0 "[ . 1 . 2]" 1
263 1 13 GLY H 1 44 TYR HA . . 4.450 3.355 2.934 3.735 . 0 0 "[ . 1 . 2]" 1
264 1 13 GLY H 1 45 TYR H . . 5.500 4.782 4.398 5.274 . 0 0 "[ . 1 . 2]" 1
265 1 13 GLY H 1 45 TYR QD . . 4.180 3.616 3.069 4.236 0.056 8 0 "[ . 1 . 2]" 1
266 1 13 GLY H 1 45 TYR QE . . 3.600 2.635 2.175 3.106 . 0 0 "[ . 1 . 2]" 1
267 1 13 GLY HA2 1 14 SER H . . 3.470 2.373 2.113 3.196 . 0 0 "[ . 1 . 2]" 1
268 1 13 GLY HA2 1 43 VAL H . . 5.180 5.067 4.731 5.263 0.083 3 0 "[ . 1 . 2]" 1
269 1 13 GLY HA2 1 43 VAL QG . . 5.420 4.708 4.100 5.331 . 0 0 "[ . 1 . 2]" 1
270 1 13 GLY HA2 1 45 TYR QD . . 5.460 4.977 4.151 5.507 0.047 17 0 "[ . 1 . 2]" 1
271 1 13 GLY HA2 1 45 TYR QE . . 3.530 2.790 2.163 3.268 . 0 0 "[ . 1 . 2]" 1
272 1 13 GLY HA2 1 99 GLN QE . . 5.190 3.654 2.982 4.272 . 0 0 "[ . 1 . 2]" 1
273 1 13 GLY HA3 1 43 VAL H . . 4.780 3.528 3.153 3.847 . 0 0 "[ . 1 . 2]" 1
274 1 13 GLY HA3 1 43 VAL QG . . 5.500 3.357 2.715 4.013 . 0 0 "[ . 1 . 2]" 1
275 1 13 GLY HA3 1 45 TYR QD . . 5.300 4.247 3.753 4.664 . 0 0 "[ . 1 . 2]" 1
276 1 13 GLY HA3 1 45 TYR QE . . 3.320 2.428 2.088 2.864 . 0 0 "[ . 1 . 2]" 1
277 1 13 GLY HA3 1 99 GLN QE . . 5.240 3.599 3.079 4.224 . 0 0 "[ . 1 . 2]" 1
278 1 14 SER H 1 14 SER HB2 . . 3.340 2.978 2.364 3.469 0.129 12 0 "[ . 1 . 2]" 1
279 1 14 SER H 1 14 SER HB3 . . 3.480 3.233 2.311 3.560 0.080 6 0 "[ . 1 . 2]" 1
280 1 14 SER H 1 15 ALA H . . 4.550 4.548 4.261 4.620 0.070 14 0 "[ . 1 . 2]" 1
281 1 14 SER H 1 16 MET ME . . 5.500 5.048 4.128 5.573 0.073 20 0 "[ . 1 . 2]" 1
282 1 14 SER H 1 42 GLN QE . . 5.500 4.688 4.348 5.297 . 0 0 "[ . 1 . 2]" 1
283 1 14 SER H 1 45 TYR QE . . 4.800 4.701 4.410 4.889 0.089 12 0 "[ . 1 . 2]" 1
284 1 14 SER H 1 99 GLN QE . . 4.680 4.003 3.210 4.444 . 0 0 "[ . 1 . 2]" 1
285 1 14 SER HA 1 14 SER HB2 . . 3.050 2.824 2.351 3.043 . 0 0 "[ . 1 . 2]" 1
286 1 14 SER HA 1 15 ALA H . . 2.740 2.383 2.138 2.527 . 0 0 "[ . 1 . 2]" 1
287 1 14 SER HA 1 15 ALA MB . . 4.240 4.119 3.914 4.276 0.036 14 0 "[ . 1 . 2]" 1
288 1 14 SER HA 1 42 GLN QE . . 3.870 2.850 2.579 3.336 . 0 0 "[ . 1 . 2]" 1
289 1 14 SER HB2 1 15 ALA H . . 3.330 3.031 2.280 3.440 0.110 11 0 "[ . 1 . 2]" 1
290 1 14 SER HB2 1 15 ALA MB . . 4.800 4.321 3.572 4.934 0.134 15 0 "[ . 1 . 2]" 1
291 1 14 SER HB3 1 15 ALA H . . 3.360 2.928 2.147 3.426 0.066 3 0 "[ . 1 . 2]" 1
292 1 14 SER HB3 1 15 ALA MB . . 4.820 4.409 3.649 4.907 0.087 7 0 "[ . 1 . 2]" 1
293 1 14 SER HB3 1 42 GLN HG2 . . 5.500 5.374 4.954 5.686 0.186 12 0 "[ . 1 . 2]" 1
294 1 15 ALA H 1 15 ALA MB . . 2.820 2.205 2.133 2.246 . 0 0 "[ . 1 . 2]" 1
295 1 15 ALA H 1 42 GLN HA . . 5.500 5.381 4.982 5.570 0.070 4 0 "[ . 1 . 2]" 1
296 1 15 ALA H 1 42 GLN QE . . 4.590 3.713 3.028 4.060 . 0 0 "[ . 1 . 2]" 1
297 1 15 ALA H 1 42 GLN HG2 . . 4.690 3.494 2.922 3.944 . 0 0 "[ . 1 . 2]" 1
298 1 15 ALA H 1 42 GLN HG3 . . 5.120 4.149 3.643 5.175 0.055 14 0 "[ . 1 . 2]" 1
299 1 15 ALA HA 1 16 MET H . . 2.900 2.150 2.088 2.209 . 0 0 "[ . 1 . 2]" 1
300 1 15 ALA HA 1 16 MET QB . . 4.940 4.386 4.168 4.713 . 0 0 "[ . 1 . 2]" 1
301 1 15 ALA HA 1 16 MET HG2 . . 5.130 4.058 3.431 4.672 . 0 0 "[ . 1 . 2]" 1
302 1 15 ALA HA 1 42 GLN HA . . 3.830 3.413 3.041 3.613 . 0 0 "[ . 1 . 2]" 1
303 1 15 ALA HA 1 42 GLN HB2 . . 4.720 4.665 4.317 4.934 0.214 14 0 "[ . 1 . 2]" 1
304 1 15 ALA HA 1 42 GLN HB3 . . 4.960 4.599 4.226 5.036 0.076 17 0 "[ . 1 . 2]" 1
305 1 15 ALA HA 1 42 GLN QE . . 5.230 4.186 3.695 4.501 . 0 0 "[ . 1 . 2]" 1
306 1 15 ALA HA 1 42 GLN HG2 . . 3.720 2.539 2.095 3.355 . 0 0 "[ . 1 . 2]" 1
307 1 15 ALA HA 1 42 GLN HG3 . . 3.940 2.406 2.017 3.111 . 0 0 "[ . 1 . 2]" 1
308 1 15 ALA MB 1 16 MET H . . 3.770 3.082 2.787 3.400 . 0 0 "[ . 1 . 2]" 1
309 1 15 ALA MB 1 16 MET HA . . 4.920 4.291 3.997 4.504 . 0 0 "[ . 1 . 2]" 1
310 1 15 ALA MB 1 16 MET QB . . 5.500 4.851 4.586 4.996 . 0 0 "[ . 1 . 2]" 1
311 1 15 ALA MB 1 16 MET HG2 . . 5.500 4.914 4.551 5.342 . 0 0 "[ . 1 . 2]" 1
312 1 15 ALA MB 1 41 ASN H . . 5.490 5.465 4.387 5.590 0.100 3 0 "[ . 1 . 2]" 1
313 1 15 ALA MB 1 41 ASN HB2 . . 5.000 4.055 2.525 5.114 0.114 16 0 "[ . 1 . 2]" 1
314 1 15 ALA MB 1 41 ASN QD . . 3.780 2.165 1.789 2.966 . 0 0 "[ . 1 . 2]" 1
315 1 15 ALA MB 1 42 GLN HA . . 5.260 4.880 4.523 5.094 . 0 0 "[ . 1 . 2]" 1
316 1 15 ALA MB 1 42 GLN HB2 . . 5.500 5.338 4.765 5.703 0.203 14 0 "[ . 1 . 2]" 1
317 1 15 ALA MB 1 42 GLN QE . . 4.970 4.045 3.163 4.470 . 0 0 "[ . 1 . 2]" 1
318 1 15 ALA MB 1 42 GLN HG2 . . 4.330 3.654 3.096 4.380 0.050 17 0 "[ . 1 . 2]" 1
319 1 15 ALA MB 1 42 GLN HG3 . . 4.120 3.262 2.592 3.788 . 0 0 "[ . 1 . 2]" 1
320 1 16 MET H 1 16 MET QB . . 3.800 2.623 2.361 3.197 . 0 0 "[ . 1 . 2]" 1
321 1 16 MET H 1 16 MET HG2 . . 4.000 2.911 2.241 3.666 . 0 0 "[ . 1 . 2]" 1
322 1 16 MET H 1 16 MET HG3 . . 4.020 3.324 2.341 3.906 . 0 0 "[ . 1 . 2]" 1
323 1 16 MET H 1 17 SER H . . 4.580 4.421 4.053 4.522 . 0 0 "[ . 1 . 2]" 1
324 1 16 MET H 1 41 ASN HB2 . . 4.280 3.637 2.836 4.875 0.595 9 5 "[* . *+1 - .* 2]" 1
325 1 16 MET H 1 41 ASN HB3 . . 4.800 4.297 2.096 4.884 0.084 6 0 "[ . 1 . 2]" 1
326 1 16 MET H 1 41 ASN QD . . 5.110 3.247 2.305 4.686 . 0 0 "[ . 1 . 2]" 1
327 1 16 MET H 1 42 GLN H . . 5.500 4.863 4.492 5.042 . 0 0 "[ . 1 . 2]" 1
328 1 16 MET H 1 42 GLN HA . . 4.950 3.531 3.203 3.886 . 0 0 "[ . 1 . 2]" 1
329 1 16 MET H 1 42 GLN HB2 . . 5.500 5.652 5.387 5.984 0.484 14 0 "[ . 1 . 2]" 1
330 1 16 MET H 1 42 GLN HG2 . . 4.890 4.073 3.344 4.654 . 0 0 "[ . 1 . 2]" 1
331 1 16 MET H 1 42 GLN HG3 . . 5.500 3.838 3.420 4.522 . 0 0 "[ . 1 . 2]" 1
332 1 16 MET H 1 95 MET ME . . 4.880 4.365 3.709 4.978 0.098 8 0 "[ . 1 . 2]" 1
333 1 16 MET HA 1 16 MET HG2 . . 4.140 2.917 2.433 3.808 . 0 0 "[ . 1 . 2]" 1
334 1 16 MET HA 1 16 MET HG3 . . 4.140 3.713 3.217 4.213 0.073 15 0 "[ . 1 . 2]" 1
335 1 16 MET HA 1 17 SER H . . 2.860 2.527 2.301 2.939 0.079 8 0 "[ . 1 . 2]" 1
336 1 16 MET HA 1 17 SER HB2 . . 4.580 4.532 4.111 5.506 0.926 19 1 "[ . 1 . +2]" 1
337 1 16 MET QB 1 17 SER H . . 3.450 2.150 1.850 2.384 . 0 0 "[ . 1 . 2]" 1
338 1 16 MET QB 1 17 SER HA . . 5.500 4.213 3.885 4.427 . 0 0 "[ . 1 . 2]" 1
339 1 16 MET QB 1 17 SER HB2 . . 4.950 4.664 4.197 5.021 0.071 12 0 "[ . 1 . 2]" 1
340 1 16 MET QB 1 17 SER HB3 . . 5.500 4.329 4.016 4.814 . 0 0 "[ . 1 . 2]" 1
341 1 16 MET QB 1 98 THR HB . . 5.500 4.970 4.611 5.335 . 0 0 "[ . 1 . 2]" 1
342 1 16 MET QB 1 98 THR MG . . 4.510 4.184 3.765 4.471 . 0 0 "[ . 1 . 2]" 1
343 1 16 MET ME 1 16 MET HG2 . . 3.160 2.869 2.066 3.276 0.116 15 0 "[ . 1 . 2]" 1
344 1 16 MET ME 1 16 MET HG3 . . 3.030 2.459 2.087 3.267 0.237 18 0 "[ . 1 . 2]" 1
345 1 16 MET ME 1 17 SER H . . 4.780 4.731 4.230 4.891 0.111 4 0 "[ . 1 . 2]" 1
346 1 16 MET ME 1 43 VAL H . . 4.300 4.336 4.029 4.406 0.106 7 0 "[ . 1 . 2]" 1
347 1 16 MET ME 1 43 VAL QG . . 3.660 2.533 2.230 2.848 . 0 0 "[ . 1 . 2]" 1
348 1 16 MET ME 1 95 MET HA . . 3.610 3.104 2.535 3.671 0.061 4 0 "[ . 1 . 2]" 1
349 1 16 MET ME 1 96 CYS H . . 4.840 4.677 4.296 4.941 0.101 4 0 "[ . 1 . 2]" 1
350 1 16 MET ME 1 98 THR H . . 4.410 4.234 3.806 4.512 0.102 10 0 "[ . 1 . 2]" 1
351 1 16 MET ME 1 98 THR HA . . 5.230 4.847 4.419 5.267 0.037 6 0 "[ . 1 . 2]" 1
352 1 16 MET ME 1 98 THR HB . . 3.280 2.719 2.029 3.323 0.043 17 0 "[ . 1 . 2]" 1
353 1 16 MET ME 1 98 THR MG . . 3.190 2.486 2.173 3.126 . 0 0 "[ . 1 . 2]" 1
354 1 16 MET ME 1 99 GLN H . . 3.470 2.721 2.382 3.103 . 0 0 "[ . 1 . 2]" 1
355 1 16 MET ME 1 99 GLN HA . . 3.590 3.080 2.721 3.416 . 0 0 "[ . 1 . 2]" 1
356 1 16 MET ME 1 99 GLN HB2 . . 2.770 2.372 1.996 2.870 0.100 14 0 "[ . 1 . 2]" 1
357 1 16 MET ME 1 99 GLN QE . . 4.680 3.698 3.078 4.263 . 0 0 "[ . 1 . 2]" 1
358 1 16 MET ME 1 99 GLN QG . . 4.130 2.521 1.904 3.659 . 0 0 "[ . 1 . 2]" 1
359 1 16 MET ME 1 102 LYS QD . . 3.940 3.781 2.757 4.065 0.125 4 0 "[ . 1 . 2]" 1
360 1 16 MET ME 1 102 LYS QE . . 3.770 3.525 2.409 3.875 0.105 19 0 "[ . 1 . 2]" 1
361 1 16 MET ME 1 102 LYS HG3 . . 4.510 4.527 4.097 4.607 0.097 15 0 "[ . 1 . 2]" 1
362 1 16 MET HG2 1 17 SER H . . 4.750 4.439 4.134 4.827 0.077 12 0 "[ . 1 . 2]" 1
363 1 16 MET HG3 1 17 SER H . . 4.920 4.631 3.651 4.988 0.068 5 0 "[ . 1 . 2]" 1
364 1 16 MET HG3 1 95 MET ME . . 3.520 3.514 2.939 3.636 0.116 19 0 "[ . 1 . 2]" 1
365 1 17 SER H 1 17 SER HB2 . . 3.100 2.795 2.135 3.265 0.165 19 0 "[ . 1 . 2]" 1
366 1 17 SER H 1 17 SER HB3 . . 3.190 2.623 2.336 3.222 0.032 5 0 "[ . 1 . 2]" 1
367 1 17 SER H 1 98 THR MG . . 5.500 5.205 4.816 5.561 0.061 7 0 "[ . 1 . 2]" 1
368 1 17 SER HA 1 18 ARG H . . 2.890 2.258 2.021 2.645 . 0 0 "[ . 1 . 2]" 1
369 1 17 SER HA 1 18 ARG QB . . 4.820 4.342 4.142 4.485 . 0 0 "[ . 1 . 2]" 1
370 1 17 SER HB2 1 18 ARG H . . 3.880 3.912 3.525 3.967 0.087 3 0 "[ . 1 . 2]" 1
371 1 17 SER HB3 1 18 ARG H . . 3.840 3.662 2.680 3.946 0.106 19 0 "[ . 1 . 2]" 1
372 1 18 ARG H 1 18 ARG QB . . 3.690 2.711 2.501 2.939 . 0 0 "[ . 1 . 2]" 1
373 1 18 ARG H 1 18 ARG HD2 . . 5.230 4.502 3.851 4.886 . 0 0 "[ . 1 . 2]" 1
374 1 18 ARG H 1 18 ARG HD3 . . 5.080 4.540 3.403 4.980 . 0 0 "[ . 1 . 2]" 1
375 1 18 ARG H 1 18 ARG HG2 . . 4.020 2.546 1.833 3.787 . 0 0 "[ . 1 . 2]" 1
376 1 18 ARG H 1 18 ARG HG3 . . 3.780 2.859 1.862 3.684 . 0 0 "[ . 1 . 2]" 1
377 1 18 ARG H 1 19 PRO HD2 . . 5.230 5.030 4.872 5.179 . 0 0 "[ . 1 . 2]" 1
378 1 18 ARG H 1 19 PRO HD3 . . 5.060 4.604 4.145 5.028 . 0 0 "[ . 1 . 2]" 1
379 1 18 ARG HA 1 18 ARG HD2 . . 5.330 4.966 4.008 5.420 0.090 15 0 "[ . 1 . 2]" 1
380 1 18 ARG HA 1 18 ARG HD3 . . 5.180 4.796 4.406 5.409 0.229 9 0 "[ . 1 . 2]" 1
381 1 18 ARG HA 1 18 ARG HE . . 5.500 5.112 4.441 5.595 0.095 3 0 "[ . 1 . 2]" 1
382 1 18 ARG HA 1 19 PRO HD2 . . 3.400 2.334 2.185 2.648 . 0 0 "[ . 1 . 2]" 1
383 1 18 ARG HA 1 19 PRO HD3 . . 3.570 2.365 2.135 2.703 . 0 0 "[ . 1 . 2]" 1
384 1 18 ARG HA 1 19 PRO QG . . 4.650 3.993 3.906 4.038 . 0 0 "[ . 1 . 2]" 1
385 1 18 ARG HA 1 41 ASN HA . . 4.900 4.919 4.382 4.984 0.084 9 0 "[ . 1 . 2]" 1
386 1 18 ARG HA 1 91 VAL QG . . 4.990 3.727 3.486 4.562 . 0 0 "[ . 1 . 2]" 1
387 1 18 ARG QB 1 18 ARG HE . . 5.050 3.113 2.172 4.101 . 0 0 "[ . 1 . 2]" 1
388 1 18 ARG QB 1 19 PRO HD3 . . 5.500 3.946 3.201 4.349 . 0 0 "[ . 1 . 2]" 1
389 1 18 ARG QB 1 91 VAL QG . . 3.840 3.457 2.848 3.779 . 0 0 "[ . 1 . 2]" 1
390 1 18 ARG HD2 1 20 MET ME . . 5.140 4.208 2.630 5.616 0.476 9 0 "[ . 1 . 2]" 1
391 1 18 ARG HD2 1 36 MET ME . . 3.940 2.973 2.098 3.983 0.043 9 0 "[ . 1 . 2]" 1
392 1 18 ARG HD3 1 36 MET ME . . 3.900 2.850 2.036 3.994 0.094 17 0 "[ . 1 . 2]" 1
393 1 18 ARG HE 1 36 MET ME . . 4.000 3.859 2.223 4.101 0.101 1 0 "[ . 1 . 2]" 1
394 1 19 PRO HA 1 20 MET H . . 2.780 2.308 2.097 2.620 . 0 0 "[ . 1 . 2]" 1
395 1 19 PRO HA 1 20 MET HA . . 4.210 4.299 4.268 4.310 0.100 4 0 "[ . 1 . 2]" 1
396 1 19 PRO HA 1 20 MET QB . . 4.490 3.986 3.542 4.219 . 0 0 "[ . 1 . 2]" 1
397 1 19 PRO HA 1 20 MET ME . . 5.030 5.092 4.898 5.145 0.115 13 0 "[ . 1 . 2]" 1
398 1 19 PRO HB2 1 20 MET H . . 3.890 2.872 2.485 3.454 . 0 0 "[ . 1 . 2]" 1
399 1 19 PRO HB2 1 21 ILE MD . . 4.480 3.699 3.343 4.189 . 0 0 "[ . 1 . 2]" 1
400 1 19 PRO HB2 1 21 ILE HG12 . . 4.780 3.500 2.827 4.011 . 0 0 "[ . 1 . 2]" 1
401 1 19 PRO HB2 1 21 ILE HG13 . . 5.000 3.309 2.981 3.867 . 0 0 "[ . 1 . 2]" 1
402 1 19 PRO HB2 1 21 ILE MG . . 5.400 5.345 4.904 5.501 0.101 1 0 "[ . 1 . 2]" 1
403 1 19 PRO HB2 1 94 GLN HE21 . . 5.500 4.844 2.538 5.583 0.083 6 0 "[ . 1 . 2]" 1
404 1 19 PRO HB2 1 94 GLN HE22 . . 5.340 5.139 4.091 5.497 0.157 8 0 "[ . 1 . 2]" 1
405 1 19 PRO HB2 1 94 GLN HG3 . . 4.840 3.246 2.551 4.776 . 0 0 "[ . 1 . 2]" 1
406 1 19 PRO HB3 1 20 MET H . . 4.020 3.416 2.743 3.888 . 0 0 "[ . 1 . 2]" 1
407 1 19 PRO HB3 1 20 MET QB . . 5.250 5.231 4.783 5.349 0.099 5 0 "[ . 1 . 2]" 1
408 1 19 PRO HB3 1 95 MET HG3 . . 5.500 4.788 3.762 5.578 0.078 9 0 "[ . 1 . 2]" 1
409 1 19 PRO HD2 1 21 ILE HG13 . . 5.490 4.892 4.068 5.308 . 0 0 "[ . 1 . 2]" 1
410 1 19 PRO HD2 1 91 VAL QG . . 4.540 2.445 2.119 2.921 . 0 0 "[ . 1 . 2]" 1
411 1 19 PRO HD2 1 95 MET ME . . 4.860 4.653 3.769 4.959 0.099 11 0 "[ . 1 . 2]" 1
412 1 19 PRO HD2 1 95 MET HG2 . . 5.220 4.126 3.155 5.082 . 0 0 "[ . 1 . 2]" 1
413 1 19 PRO HD2 1 95 MET HG3 . . 5.500 3.332 2.833 4.199 . 0 0 "[ . 1 . 2]" 1
414 1 19 PRO HD3 1 91 VAL QG . . 4.080 3.713 3.129 4.023 . 0 0 "[ . 1 . 2]" 1
415 1 19 PRO HD3 1 95 MET HG2 . . 4.470 2.816 2.118 3.754 . 0 0 "[ . 1 . 2]" 1
416 1 19 PRO HD3 1 95 MET HG3 . . 5.060 2.614 2.192 3.127 . 0 0 "[ . 1 . 2]" 1
417 1 19 PRO QG 1 21 ILE MD . . 3.760 2.913 2.213 3.847 0.087 3 0 "[ . 1 . 2]" 1
418 1 19 PRO QG 1 21 ILE HG12 . . 5.050 3.991 3.204 5.110 0.060 3 0 "[ . 1 . 2]" 1
419 1 19 PRO QG 1 21 ILE HG13 . . 4.400 3.527 2.573 4.465 0.065 19 0 "[ . 1 . 2]" 1
420 1 19 PRO QG 1 91 VAL HA . . 4.520 2.941 2.355 3.482 . 0 0 "[ . 1 . 2]" 1
421 1 19 PRO QG 1 91 VAL QG . . 3.620 2.931 2.279 3.550 . 0 0 "[ . 1 . 2]" 1
422 1 19 PRO QG 1 94 GLN H . . 5.500 4.141 3.981 4.429 . 0 0 "[ . 1 . 2]" 1
423 1 19 PRO QG 1 94 GLN HE21 . . 5.500 5.008 3.632 5.579 0.079 10 0 "[ . 1 . 2]" 1
424 1 19 PRO QG 1 95 MET H . . 5.290 3.348 2.770 3.816 . 0 0 "[ . 1 . 2]" 1
425 1 19 PRO QG 1 95 MET HG3 . . 4.160 2.686 2.311 3.181 . 0 0 "[ . 1 . 2]" 1
426 1 20 MET H 1 20 MET QB . . 3.330 2.193 1.990 2.446 . 0 0 "[ . 1 . 2]" 1
427 1 20 MET H 1 20 MET ME . . 4.330 4.241 3.935 4.424 0.094 1 0 "[ . 1 . 2]" 1
428 1 20 MET H 1 20 MET HG2 . . 4.180 4.052 3.353 4.660 0.480 15 0 "[ . 1 . 2]" 1
429 1 20 MET H 1 20 MET HG3 . . 4.590 4.340 4.110 4.642 0.052 10 0 "[ . 1 . 2]" 1
430 1 20 MET H 1 21 ILE H . . 4.890 4.493 4.361 4.645 . 0 0 "[ . 1 . 2]" 1
431 1 20 MET HA 1 20 MET ME . . 3.660 2.010 1.855 2.163 . 0 0 "[ . 1 . 2]" 1
432 1 20 MET HA 1 21 ILE H . . 3.310 2.295 2.126 2.448 . 0 0 "[ . 1 . 2]" 1
433 1 20 MET HA 1 21 ILE HA . . 4.830 4.508 4.420 4.603 . 0 0 "[ . 1 . 2]" 1
434 1 20 MET HA 1 21 ILE MD . . 5.250 4.761 4.390 5.088 . 0 0 "[ . 1 . 2]" 1
435 1 20 MET HA 1 21 ILE HG12 . . 5.440 4.787 4.306 5.245 . 0 0 "[ . 1 . 2]" 1
436 1 20 MET HA 1 21 ILE HG13 . . 3.630 3.480 3.157 3.696 0.066 20 0 "[ . 1 . 2]" 1
437 1 20 MET HA 1 32 TYR QD . . 4.230 4.150 3.780 4.330 0.100 17 0 "[ . 1 . 2]" 1
438 1 20 MET HA 1 32 TYR QE . . 3.010 2.542 2.120 2.944 . 0 0 "[ . 1 . 2]" 1
439 1 20 MET QB 1 21 ILE H . . 4.550 3.331 2.862 3.854 . 0 0 "[ . 1 . 2]" 1
440 1 20 MET QB 1 21 ILE HG13 . . 4.720 4.749 4.662 4.811 0.091 19 0 "[ . 1 . 2]" 1
441 1 20 MET HB3 1 22 HIS HE1 . . 4.350 3.283 2.288 4.433 0.083 7 0 "[ . 1 . 2]" 1
442 1 20 MET ME 1 20 MET HG2 . . 3.310 2.992 2.326 3.406 0.096 16 0 "[ . 1 . 2]" 1
443 1 20 MET ME 1 20 MET HG3 . . 2.820 2.784 2.241 3.407 0.587 15 8 "[*** .*** 1 + -]" 1
444 1 20 MET ME 1 21 ILE H . . 4.290 2.789 1.963 3.537 . 0 0 "[ . 1 . 2]" 1
445 1 20 MET ME 1 22 HIS HE1 . . 4.870 3.868 2.476 4.955 0.085 13 0 "[ . 1 . 2]" 1
446 1 20 MET ME 1 32 TYR HB3 . . 4.780 4.458 3.968 4.861 0.081 14 0 "[ . 1 . 2]" 1
447 1 20 MET ME 1 32 TYR QD . . 3.900 3.291 2.688 3.995 0.095 16 0 "[ . 1 . 2]" 1
448 1 20 MET ME 1 32 TYR QE . . 4.060 2.784 2.225 3.525 . 0 0 "[ . 1 . 2]" 1
449 1 20 MET ME 1 33 ARG H . . 5.010 4.684 4.267 5.071 0.061 5 0 "[ . 1 . 2]" 1
450 1 20 MET ME 1 33 ARG HA . . 3.930 3.864 3.289 4.019 0.089 20 0 "[ . 1 . 2]" 1
451 1 20 MET ME 1 33 ARG HD2 . . 4.070 3.425 2.511 4.172 0.102 10 0 "[ . 1 . 2]" 1
452 1 20 MET ME 1 33 ARG HD3 . . 4.020 2.906 2.023 4.164 0.144 13 0 "[ . 1 . 2]" 1
453 1 20 MET ME 1 33 ARG HE . . 5.500 3.700 1.780 5.160 . 0 0 "[ . 1 . 2]" 1
454 1 20 MET ME 1 33 ARG HG3 . . 3.600 3.358 2.193 4.360 0.760 14 3 "[ * 1 +. - 2]" 1
455 1 20 MET ME 1 91 VAL QG . . 5.130 5.032 4.710 5.149 0.019 7 0 "[ . 1 . 2]" 1
456 1 20 MET HG2 1 21 ILE H . . 5.160 4.487 3.943 5.088 . 0 0 "[ . 1 . 2]" 1
457 1 20 MET HG2 1 22 HIS HE1 . . 4.660 3.544 2.099 4.572 . 0 0 "[ . 1 . 2]" 1
458 1 20 MET HG3 1 21 ILE H . . 4.560 3.662 2.454 5.221 0.661 1 5 "[+-* .* * 1 . 2]" 1
459 1 20 MET HG3 1 22 HIS HE1 . . 4.500 2.982 2.034 4.316 . 0 0 "[ . 1 . 2]" 1
460 1 21 ILE H 1 21 ILE HB . . 3.600 2.840 2.663 3.019 . 0 0 "[ . 1 . 2]" 1
461 1 21 ILE H 1 21 ILE MD . . 4.610 4.204 3.788 4.510 . 0 0 "[ . 1 . 2]" 1
462 1 21 ILE H 1 21 ILE HG12 . . 4.270 4.039 3.797 4.332 0.062 1 0 "[ . 1 . 2]" 1
463 1 21 ILE H 1 21 ILE HG13 . . 4.240 3.051 2.766 3.238 . 0 0 "[ . 1 . 2]" 1
464 1 21 ILE H 1 21 ILE MG . . 4.260 3.939 3.853 3.995 . 0 0 "[ . 1 . 2]" 1
465 1 21 ILE H 1 22 HIS H . . 5.040 4.143 3.894 4.317 . 0 0 "[ . 1 . 2]" 1
466 1 21 ILE H 1 32 TYR QD . . 4.870 2.979 2.346 3.267 . 0 0 "[ . 1 . 2]" 1
467 1 21 ILE H 1 32 TYR QE . . 3.240 2.661 2.358 3.122 . 0 0 "[ . 1 . 2]" 1
468 1 21 ILE H 1 91 VAL QG . . 5.500 5.417 5.061 5.508 0.008 20 0 "[ . 1 . 2]" 1
469 1 21 ILE HA 1 21 ILE MD . . 4.150 3.913 3.762 4.042 . 0 0 "[ . 1 . 2]" 1
470 1 21 ILE HA 1 21 ILE HG12 . . 3.750 2.725 2.452 2.950 . 0 0 "[ . 1 . 2]" 1
471 1 21 ILE HA 1 21 ILE HG13 . . 4.250 3.229 2.859 3.460 . 0 0 "[ . 1 . 2]" 1
472 1 21 ILE HA 1 21 ILE MG . . 3.350 2.374 2.224 2.517 . 0 0 "[ . 1 . 2]" 1
473 1 21 ILE HA 1 22 HIS H . . 2.870 2.111 1.985 2.245 . 0 0 "[ . 1 . 2]" 1
474 1 21 ILE HA 1 22 HIS HA . . 4.290 4.367 4.351 4.377 0.087 4 0 "[ . 1 . 2]" 1
475 1 21 ILE HA 1 22 HIS HB2 . . 5.060 4.548 4.361 4.871 . 0 0 "[ . 1 . 2]" 1
476 1 21 ILE HA 1 22 HIS HB3 . . 5.500 5.524 5.411 5.582 0.082 8 0 "[ . 1 . 2]" 1
477 1 21 ILE HA 1 22 HIS HD2 . . 4.360 4.056 3.280 4.432 0.072 10 0 "[ . 1 . 2]" 1
478 1 21 ILE HA 1 32 TYR QE . . 4.980 4.798 4.456 5.060 0.080 16 0 "[ . 1 . 2]" 1
479 1 21 ILE HB 1 22 HIS H . . 4.290 4.083 3.846 4.311 0.021 13 0 "[ . 1 . 2]" 1
480 1 21 ILE HB 1 23 PHE QD . . 5.390 4.487 3.820 4.846 . 0 0 "[ . 1 . 2]" 1
481 1 21 ILE HB 1 23 PHE QE . . 3.560 3.309 2.377 3.659 0.099 11 0 "[ . 1 . 2]" 1
482 1 21 ILE HB 1 23 PHE HZ . . 4.500 3.758 3.333 4.166 . 0 0 "[ . 1 . 2]" 1
483 1 21 ILE HB 1 32 TYR QD . . 4.560 2.910 2.549 3.413 . 0 0 "[ . 1 . 2]" 1
484 1 21 ILE HB 1 32 TYR QE . . 4.360 3.189 2.787 3.613 . 0 0 "[ . 1 . 2]" 1
485 1 21 ILE HB 1 91 VAL QG . . 4.620 4.375 4.131 4.593 . 0 0 "[ . 1 . 2]" 1
486 1 21 ILE MD 1 21 ILE MG . . 3.280 2.057 2.003 2.096 . 0 0 "[ . 1 . 2]" 1
487 1 21 ILE MD 1 22 HIS H . . 5.170 5.128 4.902 5.264 0.094 13 0 "[ . 1 . 2]" 1
488 1 21 ILE MD 1 23 PHE QE . . 4.010 3.748 3.233 4.149 0.139 7 0 "[ . 1 . 2]" 1
489 1 21 ILE MD 1 23 PHE HZ . . 3.870 3.458 2.923 3.975 0.105 11 0 "[ . 1 . 2]" 1
490 1 21 ILE MD 1 32 TYR QD . . 4.840 3.968 3.276 4.442 . 0 0 "[ . 1 . 2]" 1
491 1 21 ILE MD 1 32 TYR QE . . 4.100 3.261 2.591 3.779 . 0 0 "[ . 1 . 2]" 1
492 1 21 ILE MD 1 87 MET ME . . 5.500 5.550 5.335 5.643 0.143 8 0 "[ . 1 . 2]" 1
493 1 21 ILE MD 1 90 ARG H . . 5.500 4.283 4.099 4.619 . 0 0 "[ . 1 . 2]" 1
494 1 21 ILE MD 1 90 ARG HA . . 4.760 3.745 3.554 4.093 . 0 0 "[ . 1 . 2]" 1
495 1 21 ILE MD 1 90 ARG HB2 . . 4.840 2.350 1.935 3.479 . 0 0 "[ . 1 . 2]" 1
496 1 21 ILE MD 1 90 ARG HB3 . . 3.710 2.075 1.914 2.457 . 0 0 "[ . 1 . 2]" 1
497 1 21 ILE MD 1 90 ARG QD . . 4.990 3.839 2.292 4.414 . 0 0 "[ . 1 . 2]" 1
498 1 21 ILE MD 1 90 ARG HE . . 5.500 5.041 2.278 5.614 0.114 12 0 "[ . 1 . 2]" 1
499 1 21 ILE MD 1 90 ARG QG . . 3.770 3.261 2.819 3.648 . 0 0 "[ . 1 . 2]" 1
500 1 21 ILE MD 1 91 VAL H . . 3.980 3.162 2.938 3.636 . 0 0 "[ . 1 . 2]" 1
501 1 21 ILE MD 1 91 VAL HA . . 3.370 2.242 1.993 2.611 . 0 0 "[ . 1 . 2]" 1
502 1 21 ILE MD 1 91 VAL HB . . 4.000 3.520 3.169 4.013 0.013 18 0 "[ . 1 . 2]" 1
503 1 21 ILE MD 1 91 VAL QG . . 3.800 2.262 2.054 2.752 . 0 0 "[ . 1 . 2]" 1
504 1 21 ILE MD 1 94 GLN H . . 5.500 4.000 3.756 4.294 . 0 0 "[ . 1 . 2]" 1
505 1 21 ILE MD 1 94 GLN QB . . 3.660 3.193 2.832 3.638 . 0 0 "[ . 1 . 2]" 1
506 1 21 ILE MD 1 94 GLN HE21 . . 5.200 4.350 3.254 4.992 . 0 0 "[ . 1 . 2]" 1
507 1 21 ILE MD 1 94 GLN HE22 . . 5.150 5.163 4.687 5.265 0.115 15 0 "[ . 1 . 2]" 1
508 1 21 ILE MD 1 94 GLN HG2 . . 4.150 3.170 2.650 3.977 . 0 0 "[ . 1 . 2]" 1
509 1 21 ILE MD 1 94 GLN HG3 . . 4.380 2.335 2.022 2.521 . 0 0 "[ . 1 . 2]" 1
510 1 21 ILE MD 1 95 MET H . . 5.500 5.165 4.815 5.593 0.093 11 0 "[ . 1 . 2]" 1
511 1 21 ILE HG12 1 22 HIS H . . 5.430 4.579 4.320 4.795 . 0 0 "[ . 1 . 2]" 1
512 1 21 ILE HG12 1 32 TYR QE . . 5.400 4.316 3.953 4.761 . 0 0 "[ . 1 . 2]" 1
513 1 21 ILE HG12 1 91 VAL HA . . 5.130 4.682 4.344 5.205 0.075 11 0 "[ . 1 . 2]" 1
514 1 21 ILE HG12 1 91 VAL QG . . 5.500 4.498 4.114 4.899 . 0 0 "[ . 1 . 2]" 1
515 1 21 ILE HG12 1 94 GLN HE22 . . 5.500 4.712 4.096 5.254 . 0 0 "[ . 1 . 2]" 1
516 1 21 ILE HG13 1 21 ILE MG . . 3.690 3.233 3.178 3.266 . 0 0 "[ . 1 . 2]" 1
517 1 21 ILE HG13 1 22 HIS H . . 5.500 5.147 4.824 5.283 . 0 0 "[ . 1 . 2]" 1
518 1 21 ILE HG13 1 32 TYR QE . . 4.650 2.656 2.252 3.220 . 0 0 "[ . 1 . 2]" 1
519 1 21 ILE HG13 1 91 VAL HA . . 4.810 4.384 4.091 4.778 . 0 0 "[ . 1 . 2]" 1
520 1 21 ILE HG13 1 91 VAL QG . . 4.430 3.606 3.158 4.217 . 0 0 "[ . 1 . 2]" 1
521 1 21 ILE MG 1 22 HIS H . . 3.390 2.627 2.386 2.960 . 0 0 "[ . 1 . 2]" 1
522 1 21 ILE MG 1 22 HIS HA . . 4.660 3.934 3.625 4.176 . 0 0 "[ . 1 . 2]" 1
523 1 21 ILE MG 1 22 HIS HB2 . . 5.300 4.678 4.438 4.933 . 0 0 "[ . 1 . 2]" 1
524 1 21 ILE MG 1 23 PHE H . . 5.160 3.452 1.937 5.163 0.003 8 0 "[ . 1 . 2]" 1
525 1 21 ILE MG 1 23 PHE HA . . 4.820 3.758 2.887 4.785 . 0 0 "[ . 1 . 2]" 1
526 1 21 ILE MG 1 23 PHE QD . . 3.830 3.398 2.950 3.835 0.005 7 0 "[ . 1 . 2]" 1
527 1 21 ILE MG 1 23 PHE QE . . 3.600 3.050 2.761 3.405 . 0 0 "[ . 1 . 2]" 1
528 1 21 ILE MG 1 23 PHE HZ . . 3.800 3.401 2.954 3.901 0.101 11 0 "[ . 1 . 2]" 1
529 1 21 ILE MG 1 32 TYR QD . . 5.220 4.346 3.942 4.730 . 0 0 "[ . 1 . 2]" 1
530 1 21 ILE MG 1 32 TYR QE . . 5.050 4.593 4.284 4.854 . 0 0 "[ . 1 . 2]" 1
531 1 21 ILE MG 1 87 MET ME . . 5.500 5.050 4.761 5.311 . 0 0 "[ . 1 . 2]" 1
532 1 21 ILE MG 1 90 ARG HA . . 5.270 4.687 4.383 5.270 . 0 0 "[ . 1 . 2]" 1
533 1 21 ILE MG 1 90 ARG HB2 . . 4.550 3.085 2.643 4.017 . 0 0 "[ . 1 . 2]" 1
534 1 21 ILE MG 1 90 ARG HB3 . . 4.090 2.616 2.213 3.400 . 0 0 "[ . 1 . 2]" 1
535 1 21 ILE MG 1 90 ARG QD . . 4.750 3.496 1.945 4.328 . 0 0 "[ . 1 . 2]" 1
536 1 21 ILE MG 1 90 ARG HE . . 5.500 4.285 3.281 5.298 . 0 0 "[ . 1 . 2]" 1
537 1 21 ILE MG 1 90 ARG QG . . 4.130 2.755 2.241 3.867 . 0 0 "[ . 1 . 2]" 1
538 1 21 ILE MG 1 91 VAL HA . . 5.480 5.141 4.880 5.544 0.064 11 0 "[ . 1 . 2]" 1
539 1 21 ILE MG 1 91 VAL QG . . 5.000 4.572 4.271 4.848 . 0 0 "[ . 1 . 2]" 1
540 1 21 ILE MG 1 94 GLN HE21 . . 5.500 4.754 2.853 5.566 0.066 6 0 "[ . 1 . 2]" 1
541 1 21 ILE MG 1 94 GLN HE22 . . 5.500 5.112 3.967 5.594 0.094 4 0 "[ . 1 . 2]" 1
542 1 21 ILE MG 1 94 GLN HG2 . . 5.480 4.573 4.141 5.114 . 0 0 "[ . 1 . 2]" 1
543 1 21 ILE MG 1 94 GLN HG3 . . 5.480 4.014 3.535 4.752 . 0 0 "[ . 1 . 2]" 1
544 1 22 HIS H 1 22 HIS HB2 . . 3.540 2.640 2.454 2.891 . 0 0 "[ . 1 . 2]" 1
545 1 22 HIS H 1 22 HIS HB3 . . 3.790 3.718 3.608 3.785 . 0 0 "[ . 1 . 2]" 1
546 1 22 HIS H 1 22 HIS HD2 . . 4.000 3.210 2.259 3.616 . 0 0 "[ . 1 . 2]" 1
547 1 22 HIS H 1 22 HIS HE1 . . 5.170 5.244 5.231 5.257 0.087 2 0 "[ . 1 . 2]" 1
548 1 22 HIS H 1 23 PHE H . . 5.000 3.783 2.094 4.573 . 0 0 "[ . 1 . 2]" 1
549 1 22 HIS HA 1 23 PHE H . . 3.390 2.384 2.115 3.029 . 0 0 "[ . 1 . 2]" 1
550 1 22 HIS HA 1 23 PHE HA . . 5.270 4.596 4.392 5.107 . 0 0 "[ . 1 . 2]" 1
551 1 22 HIS HA 1 23 PHE QD . . 4.010 3.553 2.525 4.106 0.096 2 0 "[ . 1 . 2]" 1
552 1 22 HIS HB2 1 22 HIS HD2 . . 3.500 2.598 2.530 2.739 . 0 0 "[ . 1 . 2]" 1
553 1 22 HIS HB2 1 23 PHE H . . 4.800 4.230 3.321 4.541 . 0 0 "[ . 1 . 2]" 1
554 1 22 HIS HB2 1 24 GLY H . . 5.130 4.595 3.209 5.222 0.092 8 0 "[ . 1 . 2]" 1
555 1 22 HIS HB3 1 23 PHE H . . 4.560 3.869 2.285 4.350 . 0 0 "[ . 1 . 2]" 1
556 1 23 PHE H 1 23 PHE HB2 . . 4.020 2.756 2.533 3.370 . 0 0 "[ . 1 . 2]" 1
557 1 23 PHE H 1 23 PHE HB3 . . 4.040 3.662 3.538 3.914 . 0 0 "[ . 1 . 2]" 1
558 1 23 PHE H 1 23 PHE QD . . 3.290 2.334 1.747 3.123 . 0 0 "[ . 1 . 2]" 1
559 1 23 PHE H 1 23 PHE QE . . 5.500 4.182 3.667 5.384 . 0 0 "[ . 1 . 2]" 1
560 1 23 PHE H 1 24 GLY H . . 3.580 2.775 1.802 3.657 0.077 8 0 "[ . 1 . 2]" 1
561 1 23 PHE H 1 24 GLY HA2 . . 5.500 4.915 4.077 5.578 0.078 6 0 "[ . 1 . 2]" 1
562 1 23 PHE H 1 25 ASN H . . 4.540 4.201 3.507 4.634 0.094 17 0 "[ . 1 . 2]" 1
563 1 23 PHE H 1 28 GLU HB2 . . 5.500 4.561 4.072 5.321 . 0 0 "[ . 1 . 2]" 1
564 1 23 PHE H 1 29 ASP H . . 5.500 4.861 3.967 5.324 . 0 0 "[ . 1 . 2]" 1
565 1 23 PHE H 1 29 ASP HA . . 4.150 4.128 3.605 4.246 0.096 10 0 "[ . 1 . 2]" 1
566 1 23 PHE HA 1 23 PHE QD . . 3.440 3.082 2.866 3.344 . 0 0 "[ . 1 . 2]" 1
567 1 23 PHE HA 1 23 PHE QE . . 5.240 4.877 4.653 5.046 . 0 0 "[ . 1 . 2]" 1
568 1 23 PHE HA 1 25 ASN H . . 4.840 4.386 3.422 4.917 0.077 15 0 "[ . 1 . 2]" 1
569 1 23 PHE HB2 1 24 GLY H . . 4.330 3.116 2.554 3.968 . 0 0 "[ . 1 . 2]" 1
570 1 23 PHE HB2 1 25 ASN H . . 4.340 2.581 2.069 3.599 . 0 0 "[ . 1 . 2]" 1
571 1 23 PHE HB2 1 28 GLU HB2 . . 4.390 2.371 2.092 2.765 . 0 0 "[ . 1 . 2]" 1
572 1 23 PHE HB2 1 28 GLU HB3 . . 4.580 2.870 2.483 3.325 . 0 0 "[ . 1 . 2]" 1
573 1 23 PHE HB3 1 24 GLY H . . 3.980 3.956 3.137 4.373 0.393 10 0 "[ . 1 . 2]" 1
574 1 23 PHE HB3 1 24 GLY HA3 . . 5.300 5.058 4.593 5.375 0.075 3 0 "[ . 1 . 2]" 1
575 1 23 PHE HB3 1 25 ASN H . . 4.260 3.473 2.383 4.309 0.049 10 0 "[ . 1 . 2]" 1
576 1 23 PHE HB3 1 25 ASN HD21 . . 5.500 4.153 2.688 5.758 0.258 14 0 "[ . 1 . 2]" 1
577 1 23 PHE HB3 1 28 GLU HB2 . . 4.440 3.441 2.185 3.896 . 0 0 "[ . 1 . 2]" 1
578 1 23 PHE HB3 1 28 GLU HB3 . . 4.590 3.598 2.764 4.075 . 0 0 "[ . 1 . 2]" 1
579 1 23 PHE QD 1 24 GLY H . . 4.470 4.001 3.472 4.451 . 0 0 "[ . 1 . 2]" 1
580 1 23 PHE QD 1 25 ASN H . . 4.090 4.185 4.158 4.199 0.109 7 0 "[ . 1 . 2]" 1
581 1 23 PHE QD 1 28 GLU HB2 . . 4.320 3.083 2.689 3.470 . 0 0 "[ . 1 . 2]" 1
582 1 23 PHE QD 1 28 GLU HB3 . . 4.690 2.626 2.315 2.901 . 0 0 "[ . 1 . 2]" 1
583 1 23 PHE QD 1 29 ASP H . . 4.450 3.647 3.149 4.318 . 0 0 "[ . 1 . 2]" 1
584 1 23 PHE QD 1 29 ASP HA . . 3.280 2.871 2.005 3.257 . 0 0 "[ . 1 . 2]" 1
585 1 23 PHE QD 1 29 ASP QB . . 4.710 3.812 3.335 4.472 . 0 0 "[ . 1 . 2]" 1
586 1 23 PHE QD 1 32 TYR HB2 . . 4.620 4.509 4.233 4.691 0.071 7 0 "[ . 1 . 2]" 1
587 1 23 PHE QD 1 87 MET ME . . 4.250 3.390 3.113 3.654 . 0 0 "[ . 1 . 2]" 1
588 1 23 PHE QE 1 29 ASP HA . . 4.420 3.568 3.138 4.453 0.033 17 0 "[ . 1 . 2]" 1
589 1 23 PHE QE 1 32 TYR H . . 4.860 3.999 3.550 4.939 0.079 17 0 "[ . 1 . 2]" 1
590 1 23 PHE QE 1 32 TYR HB2 . . 3.750 2.441 2.158 3.245 . 0 0 "[ . 1 . 2]" 1
591 1 23 PHE QE 1 32 TYR HB3 . . 4.700 3.050 2.519 3.719 . 0 0 "[ . 1 . 2]" 1
592 1 23 PHE QE 1 32 TYR QD . . 3.540 3.062 2.637 3.437 . 0 0 "[ . 1 . 2]" 1
593 1 23 PHE QE 1 87 MET H . . 5.500 4.998 4.405 5.442 . 0 0 "[ . 1 . 2]" 1
594 1 23 PHE QE 1 87 MET HA . . 3.950 2.906 2.351 3.380 . 0 0 "[ . 1 . 2]" 1
595 1 23 PHE QE 1 87 MET HB2 . . 5.410 5.293 4.861 5.507 0.097 11 0 "[ . 1 . 2]" 1
596 1 23 PHE QE 1 87 MET ME . . 3.150 2.770 2.504 3.143 . 0 0 "[ . 1 . 2]" 1
597 1 23 PHE QE 1 87 MET QG . . 4.340 3.959 3.436 4.200 . 0 0 "[ . 1 . 2]" 1
598 1 23 PHE QE 1 90 ARG HB2 . . 5.390 3.394 2.273 4.553 . 0 0 "[ . 1 . 2]" 1
599 1 23 PHE QE 1 90 ARG HB3 . . 5.070 4.186 3.270 5.178 0.108 11 0 "[ . 1 . 2]" 1
600 1 23 PHE QE 1 90 ARG QD . . 4.660 2.700 2.065 4.254 . 0 0 "[ . 1 . 2]" 1
601 1 23 PHE QE 1 90 ARG QG . . 4.100 2.573 2.106 3.211 . 0 0 "[ . 1 . 2]" 1
602 1 23 PHE HZ 1 32 TYR HB2 . . 4.930 3.492 2.839 3.907 . 0 0 "[ . 1 . 2]" 1
603 1 23 PHE HZ 1 32 TYR QD . . 4.440 4.279 3.622 4.539 0.099 17 0 "[ . 1 . 2]" 1
604 1 23 PHE HZ 1 87 MET H . . 5.120 5.058 4.814 5.201 0.081 13 0 "[ . 1 . 2]" 1
605 1 23 PHE HZ 1 87 MET HA . . 4.080 2.393 2.103 2.698 . 0 0 "[ . 1 . 2]" 1
606 1 23 PHE HZ 1 87 MET HB3 . . 4.360 3.066 2.377 3.550 . 0 0 "[ . 1 . 2]" 1
607 1 23 PHE HZ 1 87 MET ME . . 3.930 2.980 2.513 3.395 . 0 0 "[ . 1 . 2]" 1
608 1 23 PHE HZ 1 87 MET QG . . 4.700 3.659 3.424 3.903 . 0 0 "[ . 1 . 2]" 1
609 1 23 PHE HZ 1 90 ARG HB2 . . 4.900 3.698 3.261 4.779 . 0 0 "[ . 1 . 2]" 1
610 1 23 PHE HZ 1 90 ARG QD . . 4.470 4.278 3.925 4.425 . 0 0 "[ . 1 . 2]" 1
611 1 23 PHE HZ 1 90 ARG QG . . 5.080 3.841 2.367 4.744 . 0 0 "[ . 1 . 2]" 1
612 1 23 PHE HZ 1 91 VAL QG . . 4.950 4.727 4.404 4.925 . 0 0 "[ . 1 . 2]" 1
613 1 24 GLY H 1 25 ASN H . . 3.180 2.541 2.055 3.019 . 0 0 "[ . 1 . 2]" 1
614 1 24 GLY H 1 29 ASP H . . 5.410 4.955 4.339 5.509 0.099 8 0 "[ . 1 . 2]" 1
615 1 24 GLY H 1 29 ASP QB . . 5.020 4.087 3.446 4.950 . 0 0 "[ . 1 . 2]" 1
616 1 24 GLY HA3 1 25 ASN HA . . 4.870 4.615 4.300 4.754 . 0 0 "[ . 1 . 2]" 1
617 1 25 ASN H 1 25 ASN QB . . 3.750 2.439 2.154 3.018 . 0 0 "[ . 1 . 2]" 1
618 1 25 ASN H 1 25 ASN HD21 . . 5.480 3.876 3.350 4.998 . 0 0 "[ . 1 . 2]" 1
619 1 25 ASN H 1 25 ASN HD22 . . 4.930 4.870 4.518 5.138 0.208 16 0 "[ . 1 . 2]" 1
620 1 25 ASN H 1 26 ASP H . . 4.690 4.319 3.902 4.606 . 0 0 "[ . 1 . 2]" 1
621 1 25 ASN H 1 26 ASP HA . . 5.230 5.009 4.397 5.287 0.057 14 0 "[ . 1 . 2]" 1
622 1 25 ASN H 1 28 GLU H . . 5.310 4.099 3.702 4.541 . 0 0 "[ . 1 . 2]" 1
623 1 25 ASN H 1 28 GLU HB2 . . 4.720 3.002 2.503 3.585 . 0 0 "[ . 1 . 2]" 1
624 1 25 ASN H 1 28 GLU HB3 . . 5.240 4.490 3.999 5.122 . 0 0 "[ . 1 . 2]" 1
625 1 25 ASN H 1 29 ASP H . . 4.880 3.984 3.469 4.667 . 0 0 "[ . 1 . 2]" 1
626 1 25 ASN H 1 29 ASP QB . . 5.500 4.172 3.216 4.899 . 0 0 "[ . 1 . 2]" 1
627 1 25 ASN HA 1 25 ASN HD22 . . 5.180 4.458 4.189 5.153 . 0 0 "[ . 1 . 2]" 1
628 1 25 ASN HA 1 26 ASP H . . 2.960 2.194 2.029 2.357 . 0 0 "[ . 1 . 2]" 1
629 1 25 ASN HA 1 26 ASP HA . . 4.520 4.460 4.313 4.581 0.061 8 0 "[ . 1 . 2]" 1
630 1 25 ASN HA 1 26 ASP QB . . 4.330 4.102 3.835 4.412 0.082 14 0 "[ . 1 . 2]" 1
631 1 25 ASN HA 1 27 TRP H . . 4.870 3.776 3.408 4.191 . 0 0 "[ . 1 . 2]" 1
632 1 25 ASN QB 1 25 ASN HD22 . . 3.640 3.240 2.484 3.368 . 0 0 "[ . 1 . 2]" 1
633 1 25 ASN QB 1 26 ASP H . . 3.750 3.210 2.610 3.627 . 0 0 "[ . 1 . 2]" 1
634 1 25 ASN QB 1 27 TRP H . . 4.670 2.537 2.066 3.135 . 0 0 "[ . 1 . 2]" 1
635 1 25 ASN QB 1 27 TRP HD1 . . 5.130 2.991 2.649 3.472 . 0 0 "[ . 1 . 2]" 1
636 1 25 ASN QB 1 27 TRP HE1 . . 5.500 3.545 3.242 4.265 . 0 0 "[ . 1 . 2]" 1
637 1 25 ASN QB 1 28 GLU H . . 4.570 2.047 1.711 2.483 . 0 0 "[ . 1 . 2]" 1
638 1 25 ASN QB 1 28 GLU HA . . 5.500 4.076 3.881 4.372 . 0 0 "[ . 1 . 2]" 1
639 1 25 ASN QB 1 28 GLU HB2 . . 4.540 2.165 2.022 2.512 . 0 0 "[ . 1 . 2]" 1
640 1 25 ASN QB 1 28 GLU HG3 . . 5.050 2.279 2.084 2.673 . 0 0 "[ . 1 . 2]" 1
641 1 25 ASN HB3 1 27 TRP HD1 . . 4.010 3.040 2.690 3.525 . 0 0 "[ . 1 . 2]" 1
642 1 25 ASN HD21 1 28 GLU H . . 5.500 4.486 3.583 5.024 . 0 0 "[ . 1 . 2]" 1
643 1 25 ASN HD21 1 28 GLU HB2 . . 5.070 3.749 2.924 4.180 . 0 0 "[ . 1 . 2]" 1
644 1 25 ASN HD21 1 28 GLU HB3 . . 5.500 4.736 3.928 5.403 . 0 0 "[ . 1 . 2]" 1
645 1 25 ASN HD21 1 28 GLU HG2 . . 5.500 4.265 3.509 4.619 . 0 0 "[ . 1 . 2]" 1
646 1 25 ASN HD21 1 28 GLU HG3 . . 5.040 2.990 2.023 3.707 . 0 0 "[ . 1 . 2]" 1
647 1 25 ASN HD22 1 28 GLU HG3 . . 5.500 4.107 2.659 4.842 . 0 0 "[ . 1 . 2]" 1
648 1 26 ASP H 1 26 ASP QB . . 2.950 2.204 1.921 2.531 . 0 0 "[ . 1 . 2]" 1
649 1 26 ASP H 1 27 TRP H . . 3.690 2.747 2.434 2.945 . 0 0 "[ . 1 . 2]" 1
650 1 26 ASP H 1 27 TRP HA . . 5.500 5.309 5.009 5.466 . 0 0 "[ . 1 . 2]" 1
651 1 26 ASP H 1 27 TRP QB . . 5.390 4.951 4.666 5.132 . 0 0 "[ . 1 . 2]" 1
652 1 26 ASP H 1 28 GLU H . . 5.480 4.221 3.969 4.389 . 0 0 "[ . 1 . 2]" 1
653 1 26 ASP HA 1 27 TRP HA . . 4.520 4.563 4.310 4.607 0.087 8 0 "[ . 1 . 2]" 1
654 1 26 ASP HA 1 28 GLU H . . 5.500 4.313 3.847 4.830 . 0 0 "[ . 1 . 2]" 1
655 1 26 ASP HA 1 29 ASP H . . 3.990 3.648 3.296 3.950 . 0 0 "[ . 1 . 2]" 1
656 1 26 ASP HA 1 29 ASP QB . . 3.540 2.896 2.326 3.379 . 0 0 "[ . 1 . 2]" 1
657 1 26 ASP HA 1 30 ARG H . . 4.710 4.082 3.516 4.538 . 0 0 "[ . 1 . 2]" 1
658 1 26 ASP QB 1 27 TRP H . . 3.410 2.858 2.294 3.484 0.074 20 0 "[ . 1 . 2]" 1
659 1 26 ASP QB 1 27 TRP HA . . 5.100 4.124 3.538 4.691 . 0 0 "[ . 1 . 2]" 1
660 1 26 ASP QB 1 28 GLU H . . 4.870 4.835 4.560 4.960 0.090 20 0 "[ . 1 . 2]" 1
661 1 27 TRP H 1 27 TRP QB . . 3.080 2.610 2.400 3.055 . 0 0 "[ . 1 . 2]" 1
662 1 27 TRP H 1 27 TRP HD1 . . 3.630 2.943 2.541 3.255 . 0 0 "[ . 1 . 2]" 1
663 1 27 TRP H 1 28 GLU H . . 3.450 2.502 1.812 2.806 . 0 0 "[ . 1 . 2]" 1
664 1 27 TRP H 1 29 ASP H . . 4.860 4.092 3.680 4.396 . 0 0 "[ . 1 . 2]" 1
665 1 27 TRP H 1 29 ASP QB . . 5.500 4.889 4.515 5.191 . 0 0 "[ . 1 . 2]" 1
666 1 27 TRP HA 1 27 TRP HE3 . . 4.150 4.119 4.000 4.203 0.053 20 0 "[ . 1 . 2]" 1
667 1 27 TRP HA 1 29 ASP H . . 5.500 4.474 4.183 5.038 . 0 0 "[ . 1 . 2]" 1
668 1 27 TRP HA 1 30 ARG H . . 4.310 3.585 3.058 3.975 . 0 0 "[ . 1 . 2]" 1
669 1 27 TRP HA 1 30 ARG QB . . 3.720 3.683 3.195 3.818 0.098 6 0 "[ . 1 . 2]" 1
670 1 27 TRP HA 1 30 ARG QD . . 4.780 2.694 2.295 3.391 . 0 0 "[ . 1 . 2]" 1
671 1 27 TRP HA 1 30 ARG HE . . 5.450 4.170 2.042 5.374 . 0 0 "[ . 1 . 2]" 1
672 1 27 TRP HA 1 30 ARG HG2 . . 5.320 2.355 2.021 2.911 . 0 0 "[ . 1 . 2]" 1
673 1 27 TRP HA 1 31 TYR H . . 5.040 3.906 3.704 4.436 . 0 0 "[ . 1 . 2]" 1
674 1 27 TRP QB 1 27 TRP HD1 . . 3.000 2.606 2.490 2.711 . 0 0 "[ . 1 . 2]" 1
675 1 27 TRP QB 1 27 TRP HE3 . . 3.250 2.774 2.621 2.919 . 0 0 "[ . 1 . 2]" 1
676 1 27 TRP QB 1 30 ARG QD . . 3.470 3.497 3.288 3.588 0.118 19 0 "[ . 1 . 2]" 1
677 1 27 TRP QB 1 31 TYR QE . . 4.530 3.593 2.973 4.623 0.093 8 0 "[ . 1 . 2]" 1
678 1 27 TRP HD1 1 28 GLU H . . 4.450 4.071 3.551 4.331 . 0 0 "[ . 1 . 2]" 1
679 1 27 TRP HD1 1 28 GLU HG3 . . 4.420 4.399 3.944 4.506 0.086 18 0 "[ . 1 . 2]" 1
680 1 27 TRP HE1 1 28 GLU HG3 . . 5.500 3.698 3.156 3.947 . 0 0 "[ . 1 . 2]" 1
681 1 27 TRP HE1 1 83 THR MG . . 5.500 5.619 5.603 5.630 0.130 11 0 "[ . 1 . 2]" 1
682 1 27 TRP HE3 1 28 GLU H . . 4.070 4.041 3.762 4.143 0.073 18 0 "[ . 1 . 2]" 1
683 1 27 TRP HE3 1 28 GLU HA . . 4.010 2.883 2.564 3.049 . 0 0 "[ . 1 . 2]" 1
684 1 27 TRP HE3 1 28 GLU HG2 . . 3.730 3.690 3.461 3.803 0.073 3 0 "[ . 1 . 2]" 1
685 1 27 TRP HE3 1 28 GLU HG3 . . 4.280 3.923 3.621 4.188 . 0 0 "[ . 1 . 2]" 1
686 1 27 TRP HE3 1 30 ARG QD . . 5.500 5.314 4.967 5.574 0.074 13 0 "[ . 1 . 2]" 1
687 1 27 TRP HE3 1 31 TYR H . . 5.500 4.149 3.971 4.600 . 0 0 "[ . 1 . 2]" 1
688 1 27 TRP HE3 1 31 TYR HB3 . . 4.760 4.158 3.849 4.532 . 0 0 "[ . 1 . 2]" 1
689 1 27 TRP HE3 1 31 TYR QD . . 3.760 2.904 2.451 3.121 . 0 0 "[ . 1 . 2]" 1
690 1 27 TRP HE3 1 31 TYR QE . . 3.280 3.332 3.131 3.382 0.102 7 0 "[ . 1 . 2]" 1
691 1 27 TRP HE3 1 83 THR MG . . 4.610 4.074 3.723 4.569 . 0 0 "[ . 1 . 2]" 1
692 1 27 TRP HE3 1 87 MET ME . . 4.360 3.943 3.499 4.467 0.107 3 0 "[ . 1 . 2]" 1
693 1 27 TRP HH2 1 28 GLU HG2 . . 4.710 3.112 2.772 4.058 . 0 0 "[ . 1 . 2]" 1
694 1 27 TRP HH2 1 83 THR HB . . 4.910 4.718 3.668 4.977 0.067 9 0 "[ . 1 . 2]" 1
695 1 27 TRP HH2 1 83 THR MG . . 3.330 1.963 1.907 2.036 . 0 0 "[ . 1 . 2]" 1
696 1 27 TRP HZ2 1 28 GLU HG2 . . 5.500 3.778 3.413 4.171 . 0 0 "[ . 1 . 2]" 1
697 1 27 TRP HZ2 1 28 GLU HG3 . . 4.830 3.453 3.167 3.960 . 0 0 "[ . 1 . 2]" 1
698 1 27 TRP HZ2 1 83 THR MG . . 4.430 3.695 3.479 3.867 . 0 0 "[ . 1 . 2]" 1
699 1 27 TRP HZ3 1 28 GLU HA . . 4.050 3.458 3.136 4.114 0.064 3 0 "[ . 1 . 2]" 1
700 1 27 TRP HZ3 1 28 GLU HG2 . . 4.120 3.089 2.839 3.800 . 0 0 "[ . 1 . 2]" 1
701 1 27 TRP HZ3 1 28 GLU HG3 . . 4.420 4.191 3.886 4.502 0.082 3 0 "[ . 1 . 2]" 1
702 1 27 TRP HZ3 1 83 THR MG . . 3.660 2.260 2.044 2.654 . 0 0 "[ . 1 . 2]" 1
703 1 27 TRP HZ3 1 87 MET ME . . 4.260 2.968 2.384 4.355 0.095 8 0 "[ . 1 . 2]" 1
704 1 28 GLU H 1 28 GLU HB2 . . 3.670 2.396 2.208 2.545 . 0 0 "[ . 1 . 2]" 1
705 1 28 GLU H 1 28 GLU HB3 . . 3.950 3.604 3.491 3.662 . 0 0 "[ . 1 . 2]" 1
706 1 28 GLU H 1 28 GLU HG2 . . 4.440 3.698 3.515 3.824 . 0 0 "[ . 1 . 2]" 1
707 1 28 GLU H 1 28 GLU HG3 . . 4.200 2.618 2.385 2.833 . 0 0 "[ . 1 . 2]" 1
708 1 28 GLU H 1 29 ASP H . . 3.540 2.509 2.332 2.691 . 0 0 "[ . 1 . 2]" 1
709 1 28 GLU H 1 29 ASP HA . . 5.200 5.147 5.013 5.269 0.069 14 0 "[ . 1 . 2]" 1
710 1 28 GLU H 1 29 ASP QB . . 5.440 4.179 3.918 4.488 . 0 0 "[ . 1 . 2]" 1
711 1 28 GLU H 1 87 MET ME . . 5.500 4.403 4.299 4.506 . 0 0 "[ . 1 . 2]" 1
712 1 28 GLU HA 1 28 GLU HG2 . . 3.950 2.334 2.154 2.505 . 0 0 "[ . 1 . 2]" 1
713 1 28 GLU HA 1 28 GLU HG3 . . 4.140 2.959 2.826 3.098 . 0 0 "[ . 1 . 2]" 1
714 1 28 GLU HA 1 29 ASP HA . . 5.440 4.840 4.749 4.972 . 0 0 "[ . 1 . 2]" 1
715 1 28 GLU HA 1 30 ARG H . . 5.500 4.589 4.159 4.871 . 0 0 "[ . 1 . 2]" 1
716 1 28 GLU HA 1 31 TYR H . . 4.270 3.344 3.125 3.548 . 0 0 "[ . 1 . 2]" 1
717 1 28 GLU HA 1 31 TYR HB2 . . 4.390 2.225 2.059 2.546 . 0 0 "[ . 1 . 2]" 1
718 1 28 GLU HA 1 31 TYR HB3 . . 4.040 3.612 3.054 4.082 0.042 15 0 "[ . 1 . 2]" 1
719 1 28 GLU HA 1 31 TYR QD . . 4.800 3.903 3.725 4.014 . 0 0 "[ . 1 . 2]" 1
720 1 28 GLU HA 1 31 TYR QR . . 5.080 3.810 3.652 3.908 . 0 0 "[ . 1 . 2]" 1
721 1 28 GLU HA 1 32 TYR H . . 5.010 3.942 3.664 4.244 . 0 0 "[ . 1 . 2]" 1
722 1 28 GLU HA 1 87 MET ME . . 3.470 2.153 1.936 2.557 . 0 0 "[ . 1 . 2]" 1
723 1 28 GLU HB2 1 29 ASP H . . 4.020 2.729 2.402 2.988 . 0 0 "[ . 1 . 2]" 1
724 1 28 GLU HB2 1 87 MET ME . . 3.590 3.514 3.286 3.672 0.082 15 0 "[ . 1 . 2]" 1
725 1 28 GLU HB3 1 29 ASP H . . 4.510 3.590 3.287 3.853 . 0 0 "[ . 1 . 2]" 1
726 1 28 GLU HB3 1 87 MET ME . . 3.350 2.146 1.912 2.332 . 0 0 "[ . 1 . 2]" 1
727 1 28 GLU HG2 1 31 TYR QD . . 4.690 4.758 4.615 4.799 0.109 8 0 "[ . 1 . 2]" 1
728 1 28 GLU HG2 1 83 THR MG . . 4.770 3.896 3.227 4.225 . 0 0 "[ . 1 . 2]" 1
729 1 28 GLU HG2 1 87 MET ME . . 2.630 2.335 2.093 2.658 0.028 11 0 "[ . 1 . 2]" 1
730 1 28 GLU HG3 1 29 ASP H . . 5.500 4.526 4.329 4.636 . 0 0 "[ . 1 . 2]" 1
731 1 28 GLU HG3 1 87 MET ME . . 4.210 3.666 3.453 3.874 . 0 0 "[ . 1 . 2]" 1
732 1 29 ASP H 1 29 ASP QB . . 3.480 2.131 1.973 2.259 . 0 0 "[ . 1 . 2]" 1
733 1 29 ASP H 1 87 MET ME . . 5.500 4.436 4.068 4.654 . 0 0 "[ . 1 . 2]" 1
734 1 29 ASP HA 1 31 TYR H . . 5.500 4.537 4.199 4.810 . 0 0 "[ . 1 . 2]" 1
735 1 29 ASP HA 1 32 TYR H . . 4.740 3.857 3.626 4.156 . 0 0 "[ . 1 . 2]" 1
736 1 29 ASP HA 1 32 TYR HB3 . . 4.580 3.413 3.095 3.916 . 0 0 "[ . 1 . 2]" 1
737 1 29 ASP HA 1 32 TYR QD . . 4.890 4.312 3.875 4.987 0.097 17 0 "[ . 1 . 2]" 1
738 1 29 ASP HA 1 33 ARG H . . 5.350 4.379 4.114 4.631 . 0 0 "[ . 1 . 2]" 1
739 1 29 ASP HA 1 87 MET ME . . 5.190 4.459 3.991 4.862 . 0 0 "[ . 1 . 2]" 1
740 1 29 ASP QB 1 30 ARG H . . 3.830 2.519 2.133 3.135 . 0 0 "[ . 1 . 2]" 1
741 1 29 ASP QB 1 30 ARG HA . . 5.500 4.135 3.934 4.920 . 0 0 "[ . 1 . 2]" 1
742 1 30 ARG H 1 30 ARG QB . . 3.020 2.395 2.269 2.570 . 0 0 "[ . 1 . 2]" 1
743 1 30 ARG H 1 30 ARG HD2 . . 4.970 4.638 4.148 5.049 0.079 11 0 "[ . 1 . 2]" 1
744 1 30 ARG H 1 30 ARG QD . . 4.810 4.124 3.820 4.514 . 0 0 "[ . 1 . 2]" 1
745 1 30 ARG H 1 30 ARG HG2 . . 3.950 2.771 2.444 3.167 . 0 0 "[ . 1 . 2]" 1
746 1 30 ARG H 1 30 ARG HG3 . . 4.610 3.914 3.536 4.204 . 0 0 "[ . 1 . 2]" 1
747 1 30 ARG H 1 31 TYR H . . 3.510 2.674 2.342 2.943 . 0 0 "[ . 1 . 2]" 1
748 1 30 ARG H 1 31 TYR HB2 . . 5.500 4.575 4.114 4.935 . 0 0 "[ . 1 . 2]" 1
749 1 30 ARG H 1 32 TYR H . . 5.270 4.440 3.939 4.606 . 0 0 "[ . 1 . 2]" 1
750 1 30 ARG H 1 33 ARG H . . 4.960 4.916 4.542 5.043 0.083 17 0 "[ . 1 . 2]" 1
751 1 30 ARG HA 1 30 ARG QD . . 4.520 4.456 4.258 4.584 0.064 14 0 "[ . 1 . 2]" 1
752 1 30 ARG HA 1 30 ARG HG2 . . 3.900 3.828 3.766 3.906 0.006 10 0 "[ . 1 . 2]" 1
753 1 30 ARG HA 1 30 ARG HG3 . . 3.910 3.682 3.569 3.762 . 0 0 "[ . 1 . 2]" 1
754 1 30 ARG HA 1 31 TYR HA . . 5.240 4.847 4.745 4.945 . 0 0 "[ . 1 . 2]" 1
755 1 30 ARG HA 1 32 TYR H . . 5.500 4.542 4.291 4.692 . 0 0 "[ . 1 . 2]" 1
756 1 30 ARG HA 1 33 ARG H . . 4.090 3.407 3.220 3.587 . 0 0 "[ . 1 . 2]" 1
757 1 30 ARG HA 1 33 ARG HB2 . . 3.670 2.530 2.109 2.794 . 0 0 "[ . 1 . 2]" 1
758 1 30 ARG HA 1 33 ARG HB3 . . 4.290 4.087 3.530 4.361 0.071 16 0 "[ . 1 . 2]" 1
759 1 30 ARG HA 1 33 ARG HG3 . . 4.870 3.887 3.185 4.925 0.055 9 0 "[ . 1 . 2]" 1
760 1 30 ARG HA 1 34 GLU H . . 5.290 4.153 3.656 4.934 . 0 0 "[ . 1 . 2]" 1
761 1 30 ARG HA 1 34 GLU HG2 . . 5.390 4.445 3.329 5.353 . 0 0 "[ . 1 . 2]" 1
762 1 30 ARG QB 1 30 ARG QD . . 3.200 2.286 2.130 2.522 . 0 0 "[ . 1 . 2]" 1
763 1 30 ARG QB 1 30 ARG HE . . 4.750 3.166 2.170 4.264 . 0 0 "[ . 1 . 2]" 1
764 1 30 ARG QB 1 31 TYR H . . 3.470 3.522 3.418 3.558 0.088 7 0 "[ . 1 . 2]" 1
765 1 30 ARG QD 1 31 TYR HA . . 4.900 4.965 4.868 5.007 0.107 13 0 "[ . 1 . 2]" 1
766 1 30 ARG HD2 1 31 TYR H . . 5.080 4.902 4.446 5.138 0.058 8 0 "[ . 1 . 2]" 1
767 1 30 ARG HE 1 31 TYR QD . . 4.630 4.002 2.357 4.727 0.097 14 0 "[ . 1 . 2]" 1
768 1 30 ARG HG2 1 31 TYR H . . 4.990 2.420 2.131 2.773 . 0 0 "[ . 1 . 2]" 1
769 1 30 ARG HG2 1 34 GLU HG3 . . 5.500 5.240 4.385 5.587 0.087 3 0 "[ . 1 . 2]" 1
770 1 30 ARG HG3 1 31 TYR H . . 4.600 2.892 2.420 3.253 . 0 0 "[ . 1 . 2]" 1
771 1 30 ARG HG3 1 31 TYR HA . . 4.830 3.140 2.895 3.493 . 0 0 "[ . 1 . 2]" 1
772 1 30 ARG HG3 1 31 TYR QD . . 3.180 2.693 2.158 3.267 0.087 8 0 "[ . 1 . 2]" 1
773 1 30 ARG HG3 1 34 GLU HG2 . . 5.500 4.484 3.375 5.562 0.062 17 0 "[ . 1 . 2]" 1
774 1 30 ARG HG3 1 34 GLU HG3 . . 4.990 3.627 2.629 4.432 . 0 0 "[ . 1 . 2]" 1
775 1 31 TYR H 1 31 TYR HB2 . . 3.610 2.213 2.055 2.364 . 0 0 "[ . 1 . 2]" 1
776 1 31 TYR H 1 31 TYR HB3 . . 3.620 3.440 3.068 3.601 . 0 0 "[ . 1 . 2]" 1
777 1 31 TYR H 1 31 TYR QD . . 3.980 2.885 2.476 3.531 . 0 0 "[ . 1 . 2]" 1
778 1 31 TYR H 1 32 TYR H . . 3.700 2.851 2.640 3.084 . 0 0 "[ . 1 . 2]" 1
779 1 31 TYR H 1 33 ARG H . . 5.370 4.317 4.110 4.500 . 0 0 "[ . 1 . 2]" 1
780 1 31 TYR H 1 35 ASN QD . . 5.500 5.024 4.647 5.336 . 0 0 "[ . 1 . 2]" 1
781 1 31 TYR HA 1 31 TYR QD . . 3.600 2.506 2.172 2.854 . 0 0 "[ . 1 . 2]" 1
782 1 31 TYR HA 1 31 TYR QR . . 3.990 2.492 2.166 2.829 . 0 0 "[ . 1 . 2]" 1
783 1 31 TYR HA 1 34 GLU H . . 4.320 3.593 3.363 3.946 . 0 0 "[ . 1 . 2]" 1
784 1 31 TYR HA 1 34 GLU QB . . 3.760 2.922 2.550 3.858 0.098 3 0 "[ . 1 . 2]" 1
785 1 31 TYR HA 1 34 GLU HG3 . . 5.430 3.782 2.955 4.554 . 0 0 "[ . 1 . 2]" 1
786 1 31 TYR HA 1 35 ASN H . . 5.200 4.292 3.917 4.805 . 0 0 "[ . 1 . 2]" 1
787 1 31 TYR HA 1 35 ASN QD . . 4.160 2.833 2.235 3.611 . 0 0 "[ . 1 . 2]" 1
788 1 31 TYR HB2 1 32 TYR H . . 4.370 2.790 2.510 3.257 . 0 0 "[ . 1 . 2]" 1
789 1 31 TYR HB2 1 35 ASN QD . . 5.480 4.322 3.802 4.648 . 0 0 "[ . 1 . 2]" 1
790 1 31 TYR HB2 1 87 MET ME . . 5.390 2.635 2.202 3.103 . 0 0 "[ . 1 . 2]" 1
791 1 31 TYR HB3 1 32 TYR H . . 4.090 2.927 2.420 3.235 . 0 0 "[ . 1 . 2]" 1
792 1 31 TYR HB3 1 87 MET ME . . 3.920 2.849 2.316 3.417 . 0 0 "[ . 1 . 2]" 1
793 1 31 TYR QD 1 32 TYR H . . 4.550 4.516 4.327 4.644 0.094 1 0 "[ . 1 . 2]" 1
794 1 31 TYR QD 1 35 ASN QD . . 4.250 3.400 2.321 3.902 . 0 0 "[ . 1 . 2]" 1
795 1 31 TYR QD 1 83 THR MG . . 3.710 3.009 2.383 3.530 . 0 0 "[ . 1 . 2]" 1
796 1 31 TYR QD 1 87 MET QG . . 4.370 3.808 2.891 4.219 . 0 0 "[ . 1 . 2]" 1
797 1 31 TYR QE 1 83 THR MG . . 3.500 2.617 2.145 3.362 . 0 0 "[ . 1 . 2]" 1
798 1 32 TYR H 1 32 TYR HB2 . . 3.730 2.518 2.424 2.662 . 0 0 "[ . 1 . 2]" 1
799 1 32 TYR H 1 32 TYR HB3 . . 3.680 2.442 2.337 2.538 . 0 0 "[ . 1 . 2]" 1
800 1 32 TYR H 1 32 TYR QD . . 4.110 4.185 4.122 4.214 0.104 1 0 "[ . 1 . 2]" 1
801 1 32 TYR H 1 33 ARG H . . 3.900 2.817 2.608 2.956 . 0 0 "[ . 1 . 2]" 1
802 1 32 TYR H 1 34 GLU H . . 5.500 4.190 3.882 4.396 . 0 0 "[ . 1 . 2]" 1
803 1 32 TYR H 1 34 GLU QB . . 5.500 5.212 4.935 5.595 0.095 3 0 "[ . 1 . 2]" 1
804 1 32 TYR H 1 87 MET ME . . 3.840 3.147 3.005 3.389 . 0 0 "[ . 1 . 2]" 1
805 1 32 TYR HA 1 32 TYR QD . . 3.350 2.121 2.042 2.201 . 0 0 "[ . 1 . 2]" 1
806 1 32 TYR HA 1 32 TYR QE . . 4.700 4.428 4.313 4.540 . 0 0 "[ . 1 . 2]" 1
807 1 32 TYR HA 1 35 ASN H . . 3.990 3.454 3.243 3.811 . 0 0 "[ . 1 . 2]" 1
808 1 32 TYR HA 1 35 ASN HB2 . . 4.970 3.895 3.226 5.041 0.071 10 0 "[ . 1 . 2]" 1
809 1 32 TYR HA 1 36 MET ME . . 5.500 5.438 4.198 5.596 0.096 1 0 "[ . 1 . 2]" 1
810 1 32 TYR HA 1 39 TYR QE . . 3.700 2.733 2.321 3.108 . 0 0 "[ . 1 . 2]" 1
811 1 32 TYR HA 1 87 MET ME . . 4.150 4.206 3.982 4.256 0.106 7 0 "[ . 1 . 2]" 1
812 1 32 TYR HB2 1 33 ARG H . . 4.430 3.879 3.762 3.997 . 0 0 "[ . 1 . 2]" 1
813 1 32 TYR HB2 1 87 MET ME . . 3.920 3.126 2.861 3.382 . 0 0 "[ . 1 . 2]" 1
814 1 32 TYR HB3 1 33 ARG H . . 3.880 2.510 2.326 2.669 . 0 0 "[ . 1 . 2]" 1
815 1 32 TYR QD 1 33 ARG H . . 4.000 4.030 3.801 4.087 0.087 11 0 "[ . 1 . 2]" 1
816 1 32 TYR QD 1 33 ARG HA . . 4.570 4.414 4.052 4.614 0.044 5 0 "[ . 1 . 2]" 1
817 1 32 TYR QD 1 34 GLU H . . 5.500 5.289 4.815 5.543 0.043 4 0 "[ . 1 . 2]" 1
818 1 32 TYR QD 1 35 ASN H . . 4.320 4.349 3.983 4.418 0.098 17 0 "[ . 1 . 2]" 1
819 1 32 TYR QD 1 36 MET HB3 . . 4.320 3.279 2.787 3.922 . 0 0 "[ . 1 . 2]" 1
820 1 32 TYR QD 1 36 MET ME . . 4.670 4.324 3.123 4.771 0.101 3 0 "[ . 1 . 2]" 1
821 1 32 TYR QD 1 39 TYR QE . . 3.240 2.121 2.033 2.254 . 0 0 "[ . 1 . 2]" 1
822 1 32 TYR QD 1 87 MET HB2 . . 5.290 4.909 4.381 5.360 0.070 19 0 "[ . 1 . 2]" 1
823 1 32 TYR QD 1 87 MET HB3 . . 4.080 3.893 3.278 4.159 0.079 19 0 "[ . 1 . 2]" 1
824 1 32 TYR QD 1 91 VAL QG . . 4.260 3.708 3.460 4.024 . 0 0 "[ . 1 . 2]" 1
825 1 32 TYR QE 1 36 MET HA . . 4.520 2.716 2.302 3.473 . 0 0 "[ . 1 . 2]" 1
826 1 32 TYR QE 1 39 TYR QE . . 3.370 3.464 3.256 3.490 0.120 10 0 "[ . 1 . 2]" 1
827 1 32 TYR QE 1 91 VAL HB . . 4.580 4.449 3.872 4.669 0.089 11 0 "[ . 1 . 2]" 1
828 1 32 TYR QE 1 91 VAL QG . . 3.240 2.394 2.214 2.596 . 0 0 "[ . 1 . 2]" 1
829 1 33 ARG H 1 33 ARG HB2 . . 3.250 2.356 2.123 2.575 . 0 0 "[ . 1 . 2]" 1
830 1 33 ARG H 1 33 ARG HB3 . . 3.580 3.570 3.419 3.641 0.061 10 0 "[ . 1 . 2]" 1
831 1 33 ARG H 1 33 ARG HD2 . . 5.170 4.554 3.373 5.005 . 0 0 "[ . 1 . 2]" 1
832 1 33 ARG H 1 33 ARG HD3 . . 4.940 4.663 3.039 5.111 0.171 4 0 "[ . 1 . 2]" 1
833 1 33 ARG H 1 33 ARG HG2 . . 3.990 3.096 2.415 4.053 0.063 9 0 "[ . 1 . 2]" 1
834 1 33 ARG H 1 33 ARG HG3 . . 4.270 3.012 2.226 3.806 . 0 0 "[ . 1 . 2]" 1
835 1 33 ARG H 1 87 MET ME . . 5.500 5.502 5.253 5.590 0.090 4 0 "[ . 1 . 2]" 1
836 1 33 ARG HA 1 33 ARG HD2 . . 4.920 3.528 2.225 4.778 . 0 0 "[ . 1 . 2]" 1
837 1 33 ARG HA 1 33 ARG HD3 . . 4.840 3.870 2.382 4.692 . 0 0 "[ . 1 . 2]" 1
838 1 33 ARG HA 1 33 ARG HG2 . . 4.240 2.476 2.193 3.088 . 0 0 "[ . 1 . 2]" 1
839 1 33 ARG HA 1 33 ARG HG3 . . 3.850 3.315 2.495 3.764 . 0 0 "[ . 1 . 2]" 1
840 1 33 ARG HA 1 34 GLU HA . . 4.840 4.673 4.512 4.802 . 0 0 "[ . 1 . 2]" 1
841 1 33 ARG HA 1 35 ASN H . . 5.070 4.413 3.849 4.936 . 0 0 "[ . 1 . 2]" 1
842 1 33 ARG HA 1 36 MET H . . 4.870 3.983 3.433 4.490 . 0 0 "[ . 1 . 2]" 1
843 1 33 ARG HA 1 36 MET HB3 . . 4.760 3.330 2.812 3.622 . 0 0 "[ . 1 . 2]" 1
844 1 33 ARG HA 1 36 MET ME . . 3.590 2.139 1.867 2.766 . 0 0 "[ . 1 . 2]" 1
845 1 33 ARG HA 1 36 MET QG . . 4.540 3.522 2.862 4.348 . 0 0 "[ . 1 . 2]" 1
846 1 33 ARG HB2 1 33 ARG HE . . 4.920 4.081 2.687 5.011 0.091 7 0 "[ . 1 . 2]" 1
847 1 33 ARG HB2 1 34 GLU H . . 3.900 3.195 2.777 3.628 . 0 0 "[ . 1 . 2]" 1
848 1 33 ARG HB3 1 33 ARG HE . . 4.870 3.794 2.358 4.745 . 0 0 "[ . 1 . 2]" 1
849 1 34 GLU H 1 34 GLU QB . . 3.150 2.332 2.171 2.673 . 0 0 "[ . 1 . 2]" 1
850 1 34 GLU H 1 34 GLU HG2 . . 3.790 2.829 2.296 3.737 . 0 0 "[ . 1 . 2]" 1
851 1 34 GLU H 1 34 GLU HG3 . . 3.610 3.388 2.343 3.691 0.081 11 0 "[ . 1 . 2]" 1
852 1 34 GLU H 1 35 ASN H . . 3.040 2.530 2.090 2.756 . 0 0 "[ . 1 . 2]" 1
853 1 34 GLU H 1 35 ASN HA . . 5.500 5.187 4.859 5.389 . 0 0 "[ . 1 . 2]" 1
854 1 34 GLU H 1 35 ASN QD . . 5.500 3.998 3.208 4.767 . 0 0 "[ . 1 . 2]" 1
855 1 34 GLU HA 1 34 GLU HG2 . . 3.550 2.692 2.253 3.637 0.087 3 0 "[ . 1 . 2]" 1
856 1 34 GLU HA 1 34 GLU HG3 . . 3.750 3.641 3.011 3.816 0.066 6 0 "[ . 1 . 2]" 1
857 1 34 GLU HA 1 36 MET H . . 4.710 4.326 4.014 4.643 . 0 0 "[ . 1 . 2]" 1
858 1 34 GLU HA 1 36 MET ME . . 5.450 5.019 4.356 5.563 0.113 10 0 "[ . 1 . 2]" 1
859 1 34 GLU QB 1 35 ASN H . . 3.900 2.901 2.328 3.927 0.027 3 0 "[ . 1 . 2]" 1
860 1 34 GLU QB 1 35 ASN QD . . 4.310 2.989 2.314 3.900 . 0 0 "[ . 1 . 2]" 1
861 1 34 GLU HG2 1 35 ASN H . . 5.390 4.691 3.471 5.260 . 0 0 "[ . 1 . 2]" 1
862 1 34 GLU HG3 1 35 ASN H . . 5.270 4.947 4.005 5.350 0.080 20 0 "[ . 1 . 2]" 1
863 1 35 ASN H 1 35 ASN HB2 . . 3.760 2.892 2.359 3.827 0.067 10 0 "[ . 1 . 2]" 1
864 1 35 ASN H 1 35 ASN HB3 . . 3.930 3.600 3.207 3.847 . 0 0 "[ . 1 . 2]" 1
865 1 35 ASN H 1 35 ASN QD . . 4.120 2.896 2.211 3.683 . 0 0 "[ . 1 . 2]" 1
866 1 35 ASN H 1 36 MET H . . 3.280 2.347 2.002 2.772 . 0 0 "[ . 1 . 2]" 1
867 1 35 ASN H 1 36 MET HA . . 5.130 4.565 4.262 5.026 . 0 0 "[ . 1 . 2]" 1
868 1 35 ASN H 1 36 MET HB3 . . 5.110 4.442 4.041 5.033 . 0 0 "[ . 1 . 2]" 1
869 1 35 ASN H 1 37 TYR QE . . 5.320 4.914 4.366 5.413 0.093 19 0 "[ . 1 . 2]" 1
870 1 35 ASN HA 1 37 TYR H . . 5.030 3.649 3.172 4.115 . 0 0 "[ . 1 . 2]" 1
871 1 35 ASN HA 1 37 TYR QD . . 3.830 3.503 2.978 3.935 0.105 20 0 "[ . 1 . 2]" 1
872 1 35 ASN HA 1 37 TYR QE . . 3.340 2.814 2.387 3.399 0.059 19 0 "[ . 1 . 2]" 1
873 1 35 ASN HA 1 38 ARG H . . 5.020 3.739 3.184 4.195 . 0 0 "[ . 1 . 2]" 1
874 1 35 ASN HA 1 38 ARG QD . . 4.730 2.482 2.141 2.740 . 0 0 "[ . 1 . 2]" 1
875 1 35 ASN HA 1 38 ARG HG3 . . 5.230 3.351 2.377 4.399 . 0 0 "[ . 1 . 2]" 1
876 1 35 ASN HB2 1 36 MET H . . 5.220 3.817 3.459 4.406 . 0 0 "[ . 1 . 2]" 1
877 1 35 ASN HB2 1 38 ARG QD . . 5.310 3.373 2.117 3.844 . 0 0 "[ . 1 . 2]" 1
878 1 35 ASN HB3 1 38 ARG HB2 . . 5.450 3.291 2.816 4.784 . 0 0 "[ . 1 . 2]" 1
879 1 35 ASN HB3 1 38 ARG QD . . 4.750 2.234 1.978 3.217 . 0 0 "[ . 1 . 2]" 1
880 1 35 ASN HB3 1 38 ARG HG3 . . 4.730 3.869 2.793 4.897 0.167 11 0 "[ . 1 . 2]" 1
881 1 36 MET H 1 36 MET HB3 . . 3.840 2.535 2.341 2.668 . 0 0 "[ . 1 . 2]" 1
882 1 36 MET H 1 36 MET ME . . 4.810 3.858 3.352 4.114 . 0 0 "[ . 1 . 2]" 1
883 1 36 MET H 1 36 MET QG . . 3.870 2.305 2.087 2.996 . 0 0 "[ . 1 . 2]" 1
884 1 36 MET H 1 37 TYR H . . 4.300 3.125 2.700 3.236 . 0 0 "[ . 1 . 2]" 1
885 1 36 MET H 1 37 TYR QD . . 4.370 3.880 3.285 4.453 0.083 19 0 "[ . 1 . 2]" 1
886 1 36 MET H 1 38 ARG QD . . 5.430 5.145 4.871 5.314 . 0 0 "[ . 1 . 2]" 1
887 1 36 MET H 1 39 TYR QD . . 5.050 4.895 4.360 5.133 0.083 12 0 "[ . 1 . 2]" 1
888 1 36 MET H 1 39 TYR QE . . 4.770 4.574 3.992 4.856 0.086 16 0 "[ . 1 . 2]" 1
889 1 36 MET HA 1 36 MET ME . . 4.550 4.321 3.962 4.521 . 0 0 "[ . 1 . 2]" 1
890 1 36 MET HA 1 38 ARG H . . 5.010 4.001 3.672 4.349 . 0 0 "[ . 1 . 2]" 1
891 1 36 MET HA 1 39 TYR H . . 4.670 3.853 3.478 4.604 . 0 0 "[ . 1 . 2]" 1
892 1 36 MET HA 1 39 TYR HB3 . . 5.500 5.073 4.338 6.088 0.588 6 1 "[ .+ 1 . 2]" 1
893 1 36 MET HA 1 39 TYR QD . . 3.160 2.651 2.247 3.206 0.046 12 0 "[ . 1 . 2]" 1
894 1 36 MET HA 1 39 TYR QE . . 3.990 3.518 2.893 4.002 0.012 12 0 "[ . 1 . 2]" 1
895 1 36 MET HB2 1 36 MET ME . . 2.930 2.801 2.227 3.029 0.099 3 0 "[ . 1 . 2]" 1
896 1 36 MET HB2 1 37 TYR H . . 5.360 3.895 3.630 4.402 . 0 0 "[ . 1 . 2]" 1
897 1 36 MET HB2 1 39 TYR QD . . 5.500 4.523 3.808 5.144 . 0 0 "[ . 1 . 2]" 1
898 1 36 MET HB3 1 37 TYR H . . 4.780 4.226 3.970 4.502 . 0 0 "[ . 1 . 2]" 1
899 1 36 MET ME 1 37 TYR H . . 5.500 5.124 4.785 5.619 0.119 12 0 "[ . 1 . 2]" 1
900 1 36 MET QG 1 37 TYR H . . 4.260 2.351 2.018 3.331 . 0 0 "[ . 1 . 2]" 1
901 1 36 MET QG 1 37 TYR HB2 . . 5.330 4.683 4.432 5.120 . 0 0 "[ . 1 . 2]" 1
902 1 36 MET QG 1 37 TYR QD . . 4.410 2.888 2.281 3.265 . 0 0 "[ . 1 . 2]" 1
903 1 36 MET QG 1 37 TYR QE . . 5.500 4.582 3.655 5.076 . 0 0 "[ . 1 . 2]" 1
904 1 37 TYR H 1 37 TYR HB2 . . 4.160 3.586 3.510 3.948 . 0 0 "[ . 1 . 2]" 1
905 1 37 TYR H 1 37 TYR HB3 . . 3.680 2.638 2.379 3.251 . 0 0 "[ . 1 . 2]" 1
906 1 37 TYR H 1 37 TYR QD . . 2.850 2.112 1.856 2.927 0.077 19 0 "[ . 1 . 2]" 1
907 1 37 TYR H 1 37 TYR QE . . 4.140 3.956 3.663 4.220 0.080 2 0 "[ . 1 . 2]" 1
908 1 37 TYR H 1 38 ARG HA . . 5.500 5.129 4.591 5.357 . 0 0 "[ . 1 . 2]" 1
909 1 37 TYR H 1 38 ARG HG2 . . 5.500 5.428 2.768 6.358 0.858 9 3 "[ . - +1 *. 2]" 1
910 1 37 TYR H 1 39 TYR H . . 4.380 4.176 3.483 4.432 0.052 5 0 "[ . 1 . 2]" 1
911 1 37 TYR HA 1 37 TYR QD . . 4.280 3.777 3.738 3.800 . 0 0 "[ . 1 . 2]" 1
912 1 37 TYR HA 1 39 TYR H . . 4.940 3.933 3.484 4.766 . 0 0 "[ . 1 . 2]" 1
913 1 37 TYR HB2 1 38 ARG HA . . 5.190 4.750 4.456 5.073 . 0 0 "[ . 1 . 2]" 1
914 1 37 TYR QD 1 38 ARG H . . 5.120 3.415 3.064 3.707 . 0 0 "[ . 1 . 2]" 1
915 1 37 TYR QD 1 38 ARG HA . . 4.380 3.624 3.194 4.105 . 0 0 "[ . 1 . 2]" 1
916 1 37 TYR QD 1 38 ARG QD . . 4.560 4.129 3.449 4.431 . 0 0 "[ . 1 . 2]" 1
917 1 37 TYR QD 1 38 ARG HG2 . . 4.680 3.751 2.312 4.505 . 0 0 "[ . 1 . 2]" 1
918 1 37 TYR QD 1 38 ARG HG3 . . 4.440 3.194 2.362 4.777 0.337 6 0 "[ . 1 . 2]" 1
919 1 37 TYR QE 1 38 ARG HA . . 4.770 4.514 4.042 4.858 0.088 7 0 "[ . 1 . 2]" 1
920 1 37 TYR QE 1 38 ARG QD . . 4.080 3.107 2.515 3.761 . 0 0 "[ . 1 . 2]" 1
921 1 37 TYR QE 1 38 ARG HG2 . . 4.380 3.198 2.565 3.867 . 0 0 "[ . 1 . 2]" 1
922 1 37 TYR QE 1 38 ARG HG3 . . 4.090 3.025 2.578 4.455 0.365 6 0 "[ . 1 . 2]" 1
923 1 38 ARG H 1 38 ARG HB3 . . 3.630 3.595 3.535 3.741 0.111 19 0 "[ . 1 . 2]" 1
924 1 38 ARG H 1 38 ARG QD . . 4.630 3.521 3.018 3.960 . 0 0 "[ . 1 . 2]" 1
925 1 38 ARG H 1 38 ARG HG2 . . 3.980 3.559 1.879 4.171 0.191 11 0 "[ . 1 . 2]" 1
926 1 38 ARG H 1 38 ARG HG3 . . 4.540 2.397 2.043 3.094 . 0 0 "[ . 1 . 2]" 1
927 1 38 ARG H 1 39 TYR H . . 3.470 2.482 2.126 2.779 . 0 0 "[ . 1 . 2]" 1
928 1 38 ARG H 1 39 TYR QD . . 5.360 4.505 4.167 4.720 . 0 0 "[ . 1 . 2]" 1
929 1 38 ARG HA 1 38 ARG QD . . 4.880 4.149 3.288 4.353 . 0 0 "[ . 1 . 2]" 1
930 1 38 ARG HA 1 38 ARG HE . . 5.500 4.985 4.171 5.570 0.070 11 0 "[ . 1 . 2]" 1
931 1 38 ARG HA 1 38 ARG HG2 . . 4.000 2.737 2.549 3.260 . 0 0 "[ . 1 . 2]" 1
932 1 38 ARG HA 1 38 ARG HG3 . . 3.460 2.985 2.247 4.061 0.601 6 1 "[ .+ 1 . 2]" 1
933 1 38 ARG HB2 1 38 ARG HE . . 4.500 3.661 2.383 4.703 0.203 17 0 "[ . 1 . 2]" 1
934 1 38 ARG HB2 1 80 PHE QE . . 5.240 4.544 3.714 5.847 0.607 14 1 "[ . 1 +. 2]" 1
935 1 38 ARG HB3 1 38 ARG HE . . 4.730 3.269 2.405 4.312 . 0 0 "[ . 1 . 2]" 1
936 1 38 ARG HB3 1 39 TYR H . . 4.490 4.060 3.612 4.504 0.014 10 0 "[ . 1 . 2]" 1
937 1 38 ARG HG2 1 39 TYR H . . 5.410 5.168 3.841 5.615 0.205 14 0 "[ . 1 . 2]" 1
938 1 39 TYR H 1 39 TYR HB3 . . 3.690 3.609 3.514 3.733 0.043 14 0 "[ . 1 . 2]" 1
939 1 39 TYR H 1 39 TYR QD . . 4.350 3.259 2.891 3.765 . 0 0 "[ . 1 . 2]" 1
940 1 39 TYR H 1 39 TYR QE . . 5.500 4.723 4.176 5.399 . 0 0 "[ . 1 . 2]" 1
941 1 39 TYR H 1 40 PRO HD3 . . 5.340 4.944 4.773 5.224 . 0 0 "[ . 1 . 2]" 1
942 1 39 TYR HA 1 39 TYR QD . . 2.910 2.254 2.082 2.431 . 0 0 "[ . 1 . 2]" 1
943 1 39 TYR HA 1 40 PRO HB3 . . 5.430 5.178 4.737 5.519 0.089 5 0 "[ . 1 . 2]" 1
944 1 39 TYR HA 1 40 PRO HD3 . . 3.800 2.273 2.050 2.588 . 0 0 "[ . 1 . 2]" 1
945 1 39 TYR HA 1 40 PRO HG2 . . 5.470 4.660 4.326 4.922 . 0 0 "[ . 1 . 2]" 1
946 1 39 TYR HA 1 80 PHE QE . . 4.730 4.137 3.711 4.581 . 0 0 "[ . 1 . 2]" 1
947 1 39 TYR HA 1 88 MET ME . . 5.350 4.649 3.528 5.440 0.090 17 0 "[ . 1 . 2]" 1
948 1 39 TYR HA 1 88 MET HG2 . . 5.450 3.879 3.259 5.885 0.435 8 0 "[ . 1 . 2]" 1
949 1 39 TYR HB2 1 91 VAL QG . . 5.500 2.984 2.507 3.574 . 0 0 "[ . 1 . 2]" 1
950 1 39 TYR HB3 1 40 PRO HD3 . . 4.970 3.213 2.560 3.927 . 0 0 "[ . 1 . 2]" 1
951 1 39 TYR HB3 1 88 MET HG3 . . 5.500 3.301 2.391 4.596 . 0 0 "[ . 1 . 2]" 1
952 1 39 TYR HB3 1 91 VAL QG . . 3.900 2.421 2.126 2.841 . 0 0 "[ . 1 . 2]" 1
953 1 39 TYR QD 1 40 PRO HD2 . . 5.300 3.873 2.724 4.420 . 0 0 "[ . 1 . 2]" 1
954 1 39 TYR QD 1 40 PRO HD3 . . 4.960 3.808 2.591 4.578 . 0 0 "[ . 1 . 2]" 1
955 1 39 TYR QD 1 80 PHE QE . . 3.670 2.951 2.520 3.738 0.068 8 0 "[ . 1 . 2]" 1
956 1 39 TYR QD 1 84 ASP HB3 . . 5.500 4.561 4.070 5.096 . 0 0 "[ . 1 . 2]" 1
957 1 39 TYR QD 1 88 MET H . . 5.080 4.794 4.206 5.136 0.056 16 0 "[ . 1 . 2]" 1
958 1 39 TYR QD 1 88 MET HA . . 5.290 4.155 3.641 4.463 . 0 0 "[ . 1 . 2]" 1
959 1 39 TYR QD 1 88 MET ME . . 4.390 3.933 2.736 4.369 . 0 0 "[ . 1 . 2]" 1
960 1 39 TYR QD 1 88 MET HG2 . . 5.500 3.357 2.792 4.471 . 0 0 "[ . 1 . 2]" 1
961 1 39 TYR QD 1 88 MET HG3 . . 5.500 2.890 2.296 3.566 . 0 0 "[ . 1 . 2]" 1
962 1 39 TYR QD 1 91 VAL HB . . 5.500 4.164 3.574 4.786 . 0 0 "[ . 1 . 2]" 1
963 1 39 TYR QD 1 91 VAL QG . . 3.430 2.737 2.297 3.101 . 0 0 "[ . 1 . 2]" 1
964 1 39 TYR QE 1 80 PHE QD . . 4.150 4.045 3.503 4.273 0.123 9 0 "[ . 1 . 2]" 1
965 1 39 TYR QE 1 84 ASP HA . . 4.650 3.543 2.870 4.060 . 0 0 "[ . 1 . 2]" 1
966 1 39 TYR QE 1 84 ASP HB2 . . 5.460 4.438 3.879 5.034 . 0 0 "[ . 1 . 2]" 1
967 1 39 TYR QE 1 84 ASP HB3 . . 3.460 2.789 2.236 3.379 . 0 0 "[ . 1 . 2]" 1
968 1 39 TYR QE 1 87 MET H . . 5.320 5.035 4.529 5.258 . 0 0 "[ . 1 . 2]" 1
969 1 39 TYR QE 1 87 MET HA . . 5.500 5.058 4.644 5.544 0.044 17 0 "[ . 1 . 2]" 1
970 1 39 TYR QE 1 87 MET HB2 . . 3.930 3.061 2.613 3.372 . 0 0 "[ . 1 . 2]" 1
971 1 39 TYR QE 1 87 MET HB3 . . 3.560 2.930 2.325 3.562 0.002 17 0 "[ . 1 . 2]" 1
972 1 39 TYR QE 1 87 MET ME . . 5.500 4.922 4.679 5.321 . 0 0 "[ . 1 . 2]" 1
973 1 39 TYR QE 1 87 MET QG . . 5.500 3.804 3.465 4.147 . 0 0 "[ . 1 . 2]" 1
974 1 39 TYR QE 1 88 MET ME . . 4.290 4.256 3.703 4.415 0.125 9 0 "[ . 1 . 2]" 1
975 1 39 TYR QE 1 91 VAL HB . . 5.500 5.036 4.340 5.593 0.093 18 0 "[ . 1 . 2]" 1
976 1 39 TYR QE 1 91 VAL QG . . 5.360 3.911 3.076 4.285 . 0 0 "[ . 1 . 2]" 1
977 1 40 PRO HA 1 41 ASN H . . 2.930 2.288 2.197 2.367 . 0 0 "[ . 1 . 2]" 1
978 1 40 PRO HA 1 41 ASN HA . . 5.080 4.523 4.455 4.578 . 0 0 "[ . 1 . 2]" 1
979 1 40 PRO HA 1 42 GLN H . . 3.860 3.716 3.353 3.932 0.072 10 0 "[ . 1 . 2]" 1
980 1 40 PRO HA 1 95 MET ME . . 5.500 4.861 4.467 5.352 . 0 0 "[ . 1 . 2]" 1
981 1 40 PRO HB2 1 41 ASN H . . 4.280 3.165 2.738 3.809 . 0 0 "[ . 1 . 2]" 1
982 1 40 PRO HB2 1 42 GLN H . . 3.920 2.571 2.206 3.180 . 0 0 "[ . 1 . 2]" 1
983 1 40 PRO HB2 1 65 THR MG . . 4.030 3.643 3.217 3.933 . 0 0 "[ . 1 . 2]" 1
984 1 40 PRO HB2 1 92 VAL QG . . 4.470 3.855 2.571 4.491 0.021 20 0 "[ . 1 . 2]" 1
985 1 40 PRO HB3 1 41 ASN H . . 3.960 3.460 2.931 3.927 . 0 0 "[ . 1 . 2]" 1
986 1 40 PRO HB3 1 42 GLN H . . 3.900 3.539 2.493 3.975 0.075 17 0 "[ . 1 . 2]" 1
987 1 40 PRO HB3 1 65 THR MG . . 4.740 4.102 3.302 4.828 0.088 19 0 "[ . 1 . 2]" 1
988 1 40 PRO HD2 1 88 MET HG2 . . 5.500 3.111 2.208 4.245 . 0 0 "[ . 1 . 2]" 1
989 1 40 PRO HD2 1 88 MET HG3 . . 4.850 3.747 2.486 4.926 0.076 12 0 "[ . 1 . 2]" 1
990 1 40 PRO HD2 1 91 VAL QG . . 5.480 3.033 2.406 3.987 . 0 0 "[ . 1 . 2]" 1
991 1 40 PRO HD2 1 92 VAL QG . . 4.880 3.570 2.578 4.285 . 0 0 "[ . 1 . 2]" 1
992 1 40 PRO HD3 1 80 PHE QE . . 4.900 4.816 4.404 4.996 0.096 20 0 "[ . 1 . 2]" 1
993 1 40 PRO HD3 1 88 MET HG2 . . 5.500 3.527 2.326 4.674 . 0 0 "[ . 1 . 2]" 1
994 1 40 PRO HD3 1 88 MET HG3 . . 5.230 4.222 2.613 5.547 0.317 20 0 "[ . 1 . 2]" 1
995 1 40 PRO HD3 1 92 VAL QG . . 5.470 4.501 3.696 5.452 . 0 0 "[ . 1 . 2]" 1
996 1 40 PRO HG2 1 42 GLN H . . 5.500 4.629 3.809 5.458 . 0 0 "[ . 1 . 2]" 1
997 1 40 PRO HG2 1 88 MET HG2 . . 5.500 4.268 3.198 5.340 . 0 0 "[ . 1 . 2]" 1
998 1 40 PRO HG2 1 91 VAL QG . . 4.380 3.700 2.590 4.406 0.026 5 0 "[ . 1 . 2]" 1
999 1 40 PRO HG2 1 92 VAL QG . . 4.200 2.796 2.209 3.436 . 0 0 "[ . 1 . 2]" 1
1000 1 40 PRO HG3 1 69 HIS HD2 . . 4.040 3.941 3.400 4.132 0.092 10 0 "[ . 1 . 2]" 1
1001 1 40 PRO HG3 1 69 HIS HE1 . . 5.060 3.643 2.608 4.502 . 0 0 "[ . 1 . 2]" 1
1002 1 40 PRO HG3 1 92 VAL QG . . 4.860 3.814 2.579 4.752 . 0 0 "[ . 1 . 2]" 1
1003 1 41 ASN H 1 42 GLN H . . 3.060 2.216 1.860 2.498 . 0 0 "[ . 1 . 2]" 1
1004 1 41 ASN H 1 42 GLN HA . . 4.860 4.786 4.614 4.938 0.078 1 0 "[ . 1 . 2]" 1
1005 1 41 ASN H 1 42 GLN HG3 . . 5.500 4.032 3.485 4.642 . 0 0 "[ . 1 . 2]" 1
1006 1 41 ASN H 1 95 MET ME . . 4.180 4.016 3.605 4.277 0.097 19 0 "[ . 1 . 2]" 1
1007 1 41 ASN HA 1 42 GLN HG3 . . 5.500 5.042 4.700 5.585 0.085 7 0 "[ . 1 . 2]" 1
1008 1 41 ASN HA 1 91 VAL QG . . 5.500 4.415 4.037 4.713 . 0 0 "[ . 1 . 2]" 1
1009 1 41 ASN HA 1 95 MET ME . . 3.500 2.425 2.187 2.747 . 0 0 "[ . 1 . 2]" 1
1010 1 41 ASN HB2 1 42 GLN H . . 5.500 4.366 3.051 4.603 . 0 0 "[ . 1 . 2]" 1
1011 1 41 ASN HB3 1 95 MET ME . . 5.500 4.634 4.268 5.172 . 0 0 "[ . 1 . 2]" 1
1012 1 41 ASN QD 1 42 GLN H . . 5.430 4.821 3.292 5.248 . 0 0 "[ . 1 . 2]" 1
1013 1 42 GLN H 1 42 GLN HB3 . . 3.670 3.675 3.480 3.857 0.187 9 0 "[ . 1 . 2]" 1
1014 1 42 GLN H 1 42 GLN HG2 . . 4.800 4.296 3.809 4.663 . 0 0 "[ . 1 . 2]" 1
1015 1 42 GLN H 1 42 GLN HG3 . . 4.490 3.371 2.687 3.859 . 0 0 "[ . 1 . 2]" 1
1016 1 42 GLN H 1 43 VAL H . . 4.620 4.445 4.336 4.640 0.020 18 0 "[ . 1 . 2]" 1
1017 1 42 GLN H 1 43 VAL QG . . 4.920 4.183 3.508 4.792 . 0 0 "[ . 1 . 2]" 1
1018 1 42 GLN H 1 95 MET ME . . 3.630 3.074 2.533 3.712 0.082 18 0 "[ . 1 . 2]" 1
1019 1 42 GLN HA 1 42 GLN HG2 . . 4.040 2.547 2.141 2.805 . 0 0 "[ . 1 . 2]" 1
1020 1 42 GLN HA 1 43 VAL H . . 3.100 2.442 2.224 2.629 . 0 0 "[ . 1 . 2]" 1
1021 1 42 GLN HA 1 43 VAL QG . . 4.670 3.422 3.016 4.203 . 0 0 "[ . 1 . 2]" 1
1022 1 42 GLN HB2 1 42 GLN QE . . 4.520 3.639 3.408 3.959 . 0 0 "[ . 1 . 2]" 1
1023 1 42 GLN HB2 1 43 VAL H . . 4.350 3.879 3.275 4.406 0.056 12 0 "[ . 1 . 2]" 1
1024 1 42 GLN HB3 1 42 GLN QE . . 4.420 3.010 2.450 3.816 . 0 0 "[ . 1 . 2]" 1
1025 1 42 GLN HB3 1 43 VAL H . . 4.350 2.662 2.198 3.310 . 0 0 "[ . 1 . 2]" 1
1026 1 42 GLN HG3 1 43 VAL H . . 5.500 4.786 4.315 5.042 . 0 0 "[ . 1 . 2]" 1
1027 1 43 VAL H 1 43 VAL QG . . 3.330 2.360 2.040 2.916 . 0 0 "[ . 1 . 2]" 1
1028 1 43 VAL H 1 65 THR MG . . 5.500 4.649 4.397 4.970 . 0 0 "[ . 1 . 2]" 1
1029 1 43 VAL H 1 95 MET ME . . 4.990 4.170 3.763 4.846 . 0 0 "[ . 1 . 2]" 1
1030 1 43 VAL HA 1 44 TYR H . . 3.440 2.273 2.164 2.381 . 0 0 "[ . 1 . 2]" 1
1031 1 43 VAL HA 1 65 THR HG1 . . 4.060 3.854 3.155 4.129 0.069 19 0 "[ . 1 . 2]" 1
1032 1 43 VAL HA 1 65 THR MG . . 3.380 2.261 2.038 2.669 . 0 0 "[ . 1 . 2]" 1
1033 1 43 VAL HA 1 92 VAL QG . . 5.500 3.563 3.153 4.088 . 0 0 "[ . 1 . 2]" 1
1034 1 43 VAL HB 1 44 TYR H . . 3.630 2.919 2.485 3.730 0.100 9 0 "[ . 1 . 2]" 1
1035 1 43 VAL HB 1 65 THR HG1 . . 4.400 3.859 3.312 4.497 0.097 14 0 "[ . 1 . 2]" 1
1036 1 43 VAL HB 1 65 THR MG . . 4.030 3.523 2.915 4.011 . 0 0 "[ . 1 . 2]" 1
1037 1 43 VAL HB 1 92 VAL QG . . 5.460 3.335 2.619 4.565 . 0 0 "[ . 1 . 2]" 1
1038 1 43 VAL HB 1 96 CYS HA . . 4.880 4.234 3.536 4.967 0.087 9 0 "[ . 1 . 2]" 1
1039 1 43 VAL QG 1 44 TYR H . . 4.150 3.178 2.135 3.537 . 0 0 "[ . 1 . 2]" 1
1040 1 43 VAL QG 1 45 TYR H . . 5.500 4.899 4.011 5.385 . 0 0 "[ . 1 . 2]" 1
1041 1 43 VAL QG 1 45 TYR QB . . 5.500 3.718 2.855 4.457 . 0 0 "[ . 1 . 2]" 1
1042 1 43 VAL QG 1 45 TYR QD . . 3.340 2.600 2.144 3.375 0.035 15 0 "[ . 1 . 2]" 1
1043 1 43 VAL QG 1 45 TYR QE . . 4.250 3.272 2.439 4.286 0.036 15 0 "[ . 1 . 2]" 1
1044 1 43 VAL QG 1 65 THR HG1 . . 4.910 3.696 1.861 4.452 . 0 0 "[ . 1 . 2]" 1
1045 1 43 VAL QG 1 65 THR MG . . 3.240 2.367 2.070 2.890 . 0 0 "[ . 1 . 2]" 1
1046 1 43 VAL QG 1 92 VAL H . . 5.500 4.721 4.235 5.195 . 0 0 "[ . 1 . 2]" 1
1047 1 43 VAL QG 1 92 VAL QG . . 3.030 2.133 1.892 2.667 . 0 0 "[ . 1 . 2]" 1
1048 1 43 VAL QG 1 95 MET H . . 4.570 3.930 3.633 4.419 . 0 0 "[ . 1 . 2]" 1
1049 1 43 VAL QG 1 95 MET HA . . 5.070 4.064 3.755 4.496 . 0 0 "[ . 1 . 2]" 1
1050 1 43 VAL QG 1 95 MET HB2 . . 3.490 2.409 2.139 2.947 . 0 0 "[ . 1 . 2]" 1
1051 1 43 VAL QG 1 95 MET HB3 . . 3.750 2.528 2.067 3.168 . 0 0 "[ . 1 . 2]" 1
1052 1 43 VAL QG 1 95 MET ME . . 2.890 2.126 1.915 2.750 . 0 0 "[ . 1 . 2]" 1
1053 1 43 VAL QG 1 95 MET HG3 . . 5.500 4.247 3.935 4.978 . 0 0 "[ . 1 . 2]" 1
1054 1 43 VAL QG 1 96 CYS H . . 4.380 2.874 2.476 3.702 . 0 0 "[ . 1 . 2]" 1
1055 1 43 VAL QG 1 96 CYS HA . . 3.700 2.422 1.993 3.094 . 0 0 "[ . 1 . 2]" 1
1056 1 43 VAL QG 1 96 CYS HB2 . . 5.500 3.107 2.099 4.330 . 0 0 "[ . 1 . 2]" 1
1057 1 43 VAL QG 1 98 THR MG . . 5.270 4.950 4.666 5.169 . 0 0 "[ . 1 . 2]" 1
1058 1 43 VAL QG 1 99 GLN H . . 4.710 3.829 3.537 4.302 . 0 0 "[ . 1 . 2]" 1
1059 1 43 VAL QG 1 99 GLN HA . . 5.390 4.578 4.301 4.967 . 0 0 "[ . 1 . 2]" 1
1060 1 43 VAL QG 1 99 GLN HB2 . . 4.110 2.510 2.230 2.935 . 0 0 "[ . 1 . 2]" 1
1061 1 43 VAL QG 1 99 GLN HB3 . . 4.130 3.062 2.673 3.538 . 0 0 "[ . 1 . 2]" 1
1062 1 43 VAL QG 1 99 GLN QE . . 5.500 4.366 3.782 4.822 . 0 0 "[ . 1 . 2]" 1
1063 1 43 VAL QG 1 99 GLN QG . . 4.580 2.336 2.008 2.729 . 0 0 "[ . 1 . 2]" 1
1064 1 44 TYR H 1 44 TYR HB2 . . 3.510 2.394 2.258 2.660 . 0 0 "[ . 1 . 2]" 1
1065 1 44 TYR H 1 44 TYR QD . . 3.820 2.973 2.498 3.456 . 0 0 "[ . 1 . 2]" 1
1066 1 44 TYR H 1 44 TYR QE . . 5.480 5.035 4.759 5.429 . 0 0 "[ . 1 . 2]" 1
1067 1 44 TYR H 1 64 ILE MG . . 4.620 4.092 3.945 4.294 . 0 0 "[ . 1 . 2]" 1
1068 1 44 TYR H 1 65 THR H . . 5.280 4.230 4.004 4.446 . 0 0 "[ . 1 . 2]" 1
1069 1 44 TYR H 1 65 THR HA . . 4.820 3.661 3.455 3.992 . 0 0 "[ . 1 . 2]" 1
1070 1 44 TYR H 1 65 THR HB . . 4.740 3.923 3.842 4.142 . 0 0 "[ . 1 . 2]" 1
1071 1 44 TYR H 1 65 THR HG1 . . 3.930 2.485 2.064 2.764 . 0 0 "[ . 1 . 2]" 1
1072 1 44 TYR H 1 65 THR MG . . 3.770 2.876 2.473 3.436 . 0 0 "[ . 1 . 2]" 1
1073 1 44 TYR H 1 92 VAL QG . . 5.500 4.101 3.639 4.940 . 0 0 "[ . 1 . 2]" 1
1074 1 44 TYR HA 1 44 TYR QD . . 4.010 2.899 2.622 3.265 . 0 0 "[ . 1 . 2]" 1
1075 1 44 TYR HA 1 44 TYR QE . . 4.660 4.635 4.395 4.742 0.082 8 0 "[ . 1 . 2]" 1
1076 1 44 TYR HA 1 45 TYR H . . 3.210 2.317 2.215 2.390 . 0 0 "[ . 1 . 2]" 1
1077 1 44 TYR HA 1 45 TYR QD . . 4.000 3.255 2.791 3.786 . 0 0 "[ . 1 . 2]" 1
1078 1 44 TYR HA 1 64 ILE MG . . 4.960 4.273 4.055 4.463 . 0 0 "[ . 1 . 2]" 1
1079 1 44 TYR HB2 1 64 ILE HB . . 4.980 4.055 3.691 4.304 . 0 0 "[ . 1 . 2]" 1
1080 1 44 TYR HB2 1 64 ILE MG . . 3.500 2.098 2.034 2.153 . 0 0 "[ . 1 . 2]" 1
1081 1 44 TYR HB2 1 65 THR H . . 5.320 3.494 3.085 3.686 . 0 0 "[ . 1 . 2]" 1
1082 1 44 TYR HB2 1 65 THR HA . . 4.480 2.806 2.536 3.249 . 0 0 "[ . 1 . 2]" 1
1083 1 44 TYR HB3 1 45 TYR H . . 4.250 3.006 2.641 3.431 . 0 0 "[ . 1 . 2]" 1
1084 1 44 TYR HB3 1 64 ILE HB . . 4.980 4.268 3.822 4.563 . 0 0 "[ . 1 . 2]" 1
1085 1 44 TYR HB3 1 64 ILE QG . . 5.460 4.791 4.563 5.052 . 0 0 "[ . 1 . 2]" 1
1086 1 44 TYR HB3 1 64 ILE MG . . 3.600 2.264 2.099 2.467 . 0 0 "[ . 1 . 2]" 1
1087 1 44 TYR HB3 1 65 THR HA . . 4.870 4.376 4.115 4.782 . 0 0 "[ . 1 . 2]" 1
1088 1 44 TYR QD 1 45 TYR H . . 4.460 3.866 3.110 4.340 . 0 0 "[ . 1 . 2]" 1
1089 1 44 TYR QD 1 64 ILE MG . . 4.120 3.320 2.581 3.596 . 0 0 "[ . 1 . 2]" 1
1090 1 44 TYR QD 1 65 THR H . . 5.500 4.461 4.250 4.649 . 0 0 "[ . 1 . 2]" 1
1091 1 44 TYR QD 1 65 THR HA . . 3.240 2.142 2.058 2.437 . 0 0 "[ . 1 . 2]" 1
1092 1 44 TYR QD 1 65 THR HB . . 5.200 4.453 4.262 4.776 . 0 0 "[ . 1 . 2]" 1
1093 1 44 TYR QD 1 65 THR HG1 . . 4.770 4.018 3.680 4.403 . 0 0 "[ . 1 . 2]" 1
1094 1 44 TYR QD 1 65 THR MG . . 4.050 2.502 2.218 2.972 . 0 0 "[ . 1 . 2]" 1
1095 1 44 TYR QD 1 66 ILE H . . 5.500 5.573 5.463 5.605 0.105 4 0 "[ . 1 . 2]" 1
1096 1 44 TYR QD 1 68 GLN H . . 5.500 4.884 4.442 5.185 . 0 0 "[ . 1 . 2]" 1
1097 1 44 TYR QD 1 68 GLN HB2 . . 4.910 3.537 3.010 3.958 . 0 0 "[ . 1 . 2]" 1
1098 1 44 TYR QD 1 68 GLN HB3 . . 4.610 4.713 4.008 5.004 0.394 13 0 "[ . 1 . 2]" 1
1099 1 44 TYR QD 1 68 GLN HG2 . . 5.500 3.984 3.035 4.928 . 0 0 "[ . 1 . 2]" 1
1100 1 44 TYR QD 1 68 GLN HG3 . . 5.380 4.008 3.231 4.830 . 0 0 "[ . 1 . 2]" 1
1101 1 44 TYR QE 1 65 THR HA . . 4.030 3.942 3.584 4.105 0.075 5 0 "[ . 1 . 2]" 1
1102 1 44 TYR QE 1 65 THR MG . . 4.340 3.755 3.379 4.401 0.061 5 0 "[ . 1 . 2]" 1
1103 1 44 TYR QE 1 68 GLN HB2 . . 4.200 3.139 2.442 3.636 . 0 0 "[ . 1 . 2]" 1
1104 1 44 TYR QE 1 68 GLN HB3 . . 4.010 3.688 2.996 4.205 0.195 15 0 "[ . 1 . 2]" 1
1105 1 45 TYR H 1 45 TYR QD . . 3.450 3.043 2.623 3.343 . 0 0 "[ . 1 . 2]" 1
1106 1 45 TYR H 1 45 TYR QE . . 5.500 4.322 4.051 4.591 . 0 0 "[ . 1 . 2]" 1
1107 1 45 TYR H 1 46 ARG H . . 5.500 4.389 4.302 4.439 . 0 0 "[ . 1 . 2]" 1
1108 1 45 TYR H 1 64 ILE MG . . 5.500 4.287 4.025 4.546 . 0 0 "[ . 1 . 2]" 1
1109 1 45 TYR HA 1 45 TYR QD . . 4.000 3.778 3.730 3.838 . 0 0 "[ . 1 . 2]" 1
1110 1 45 TYR HA 1 46 ARG H . . 3.410 2.528 2.386 2.717 . 0 0 "[ . 1 . 2]" 1
1111 1 45 TYR HA 1 57 PHE QE . . 4.970 4.910 4.617 5.047 0.077 8 0 "[ . 1 . 2]" 1
1112 1 45 TYR HA 1 64 ILE MD . . 5.450 5.522 5.437 5.562 0.112 2 0 "[ . 1 . 2]" 1
1113 1 45 TYR QB 1 46 ARG H . . 4.290 2.365 2.150 2.628 . 0 0 "[ . 1 . 2]" 1
1114 1 45 TYR QB 1 57 PHE QE . . 4.680 2.807 2.629 3.074 . 0 0 "[ . 1 . 2]" 1
1115 1 45 TYR QB 1 57 PHE HZ . . 3.900 2.808 2.441 3.029 . 0 0 "[ . 1 . 2]" 1
1116 1 45 TYR HB2 1 46 ARG H . . 4.010 2.394 2.169 2.678 . 0 0 "[ . 1 . 2]" 1
1117 1 45 TYR QD 1 46 ARG H . . 3.960 3.455 2.823 3.989 0.029 7 0 "[ . 1 . 2]" 1
1118 1 45 TYR QD 1 46 ARG HB3 . . 5.500 5.336 5.070 5.579 0.079 12 0 "[ . 1 . 2]" 1
1119 1 45 TYR QD 1 47 PRO HA . . 4.140 3.351 3.020 4.142 0.002 15 0 "[ . 1 . 2]" 1
1120 1 45 TYR QD 1 48 VAL H . . 5.310 4.755 3.874 5.363 0.053 13 0 "[ . 1 . 2]" 1
1121 1 45 TYR QD 1 57 PHE QE . . 3.450 3.113 2.289 3.524 0.074 3 0 "[ . 1 . 2]" 1
1122 1 45 TYR QD 1 57 PHE HZ . . 3.690 3.130 2.800 3.605 . 0 0 "[ . 1 . 2]" 1
1123 1 45 TYR QD 1 99 GLN QG . . 4.310 3.096 2.506 3.918 . 0 0 "[ . 1 . 2]" 1
1124 1 45 TYR QE 1 47 PRO HA . . 4.040 3.595 3.046 3.981 . 0 0 "[ . 1 . 2]" 1
1125 1 45 TYR QE 1 48 VAL H . . 5.270 5.113 4.184 5.357 0.087 9 0 "[ . 1 . 2]" 1
1126 1 45 TYR QE 1 57 PHE QE . . 4.910 4.404 3.725 5.010 0.100 8 0 "[ . 1 . 2]" 1
1127 1 45 TYR QE 1 99 GLN QE . . 5.500 3.393 2.450 3.983 . 0 0 "[ . 1 . 2]" 1
1128 1 45 TYR QE 1 103 GLU HG3 . . 4.940 2.654 2.148 3.581 . 0 0 "[ . 1 . 2]" 1
1129 1 46 ARG H 1 46 ARG HB2 . . 3.930 2.431 2.193 2.607 . 0 0 "[ . 1 . 2]" 1
1130 1 46 ARG H 1 46 ARG HB3 . . 4.130 3.593 3.295 3.748 . 0 0 "[ . 1 . 2]" 1
1131 1 46 ARG H 1 46 ARG HG2 . . 4.910 4.099 3.559 4.516 . 0 0 "[ . 1 . 2]" 1
1132 1 46 ARG H 1 46 ARG HG3 . . 4.700 3.284 2.547 4.209 . 0 0 "[ . 1 . 2]" 1
1133 1 46 ARG H 1 47 PRO HD3 . . 5.500 5.017 4.889 5.191 . 0 0 "[ . 1 . 2]" 1
1134 1 46 ARG H 1 57 PHE QE . . 5.500 4.221 3.593 4.889 . 0 0 "[ . 1 . 2]" 1
1135 1 46 ARG HA 1 46 ARG HD2 . . 4.920 4.502 3.870 4.992 0.072 16 0 "[ . 1 . 2]" 1
1136 1 46 ARG HA 1 46 ARG HD3 . . 4.830 4.360 2.876 4.662 . 0 0 "[ . 1 . 2]" 1
1137 1 46 ARG HA 1 46 ARG HG2 . . 4.090 2.436 2.112 2.796 . 0 0 "[ . 1 . 2]" 1
1138 1 46 ARG HA 1 46 ARG HG3 . . 4.240 3.031 2.655 3.675 . 0 0 "[ . 1 . 2]" 1
1139 1 46 ARG HA 1 47 PRO HD2 . . 3.290 2.639 2.337 2.891 . 0 0 "[ . 1 . 2]" 1
1140 1 46 ARG HA 1 47 PRO HD3 . . 3.410 2.312 2.135 2.536 . 0 0 "[ . 1 . 2]" 1
1141 1 46 ARG HA 1 47 PRO HG3 . . 5.170 4.605 4.415 4.791 . 0 0 "[ . 1 . 2]" 1
1142 1 46 ARG HB2 1 46 ARG HD2 . . 4.020 3.034 2.324 3.611 . 0 0 "[ . 1 . 2]" 1
1143 1 46 ARG HB2 1 46 ARG HD3 . . 4.010 3.196 2.348 3.937 . 0 0 "[ . 1 . 2]" 1
1144 1 46 ARG HB2 1 46 ARG HE . . 5.150 3.956 2.460 4.817 . 0 0 "[ . 1 . 2]" 1
1145 1 46 ARG HB2 1 47 PRO HD2 . . 4.750 3.670 3.417 3.806 . 0 0 "[ . 1 . 2]" 1
1146 1 46 ARG HB2 1 47 PRO HD3 . . 4.450 4.592 4.336 4.823 0.373 14 0 "[ . 1 . 2]" 1
1147 1 46 ARG HB3 1 46 ARG HD2 . . 4.050 2.930 2.212 3.771 . 0 0 "[ . 1 . 2]" 1
1148 1 46 ARG HB3 1 46 ARG HD3 . . 3.990 2.885 2.294 3.714 . 0 0 "[ . 1 . 2]" 1
1149 1 46 ARG HB3 1 46 ARG HE . . 4.790 4.068 3.460 4.738 . 0 0 "[ . 1 . 2]" 1
1150 1 46 ARG HB3 1 47 PRO HD2 . . 4.610 2.121 1.988 2.325 . 0 0 "[ . 1 . 2]" 1
1151 1 46 ARG HB3 1 47 PRO HD3 . . 4.250 3.426 3.177 3.748 . 0 0 "[ . 1 . 2]" 1
1152 1 46 ARG HE 1 64 ILE MD . . 5.280 5.196 4.729 5.389 0.109 11 0 "[ . 1 . 2]" 1
1153 1 46 ARG HG2 1 47 PRO HD2 . . 5.410 3.113 2.194 3.864 . 0 0 "[ . 1 . 2]" 1
1154 1 46 ARG HG2 1 47 PRO HD3 . . 5.090 3.676 2.504 4.598 . 0 0 "[ . 1 . 2]" 1
1155 1 46 ARG HG3 1 47 PRO HD3 . . 5.460 4.899 3.892 5.618 0.158 3 0 "[ . 1 . 2]" 1
1156 1 46 ARG HG3 1 64 ILE MD . . 5.500 5.092 4.621 5.598 0.098 4 0 "[ . 1 . 2]" 1
1157 1 47 PRO HA 1 48 VAL H . . 3.000 2.347 2.163 2.725 . 0 0 "[ . 1 . 2]" 1
1158 1 47 PRO HA 1 48 VAL QG . . 4.520 3.391 2.864 3.744 . 0 0 "[ . 1 . 2]" 1
1159 1 47 PRO HA 1 57 PHE QE . . 4.980 4.132 3.571 5.059 0.079 15 0 "[ . 1 . 2]" 1
1160 1 47 PRO HB3 1 48 VAL H . . 4.320 3.924 3.554 4.634 0.314 5 0 "[ . 1 . 2]" 1
1161 1 48 VAL H 1 48 VAL HB . . 3.350 2.647 2.240 3.454 0.104 5 0 "[ . 1 . 2]" 1
1162 1 48 VAL H 1 48 VAL QG . . 3.340 2.266 1.796 2.536 . 0 0 "[ . 1 . 2]" 1
1163 1 48 VAL H 1 57 PHE QE . . 5.460 3.876 2.787 4.621 . 0 0 "[ . 1 . 2]" 1
1164 1 48 VAL HA 1 48 VAL QG . . 3.310 2.167 2.076 2.431 . 0 0 "[ . 1 . 2]" 1
1165 1 48 VAL HA 1 49 ASP H . . 3.130 2.185 1.990 2.653 . 0 0 "[ . 1 . 2]" 1
1166 1 48 VAL HA 1 57 PHE QD . . 5.400 3.743 3.158 4.262 . 0 0 "[ . 1 . 2]" 1
1167 1 48 VAL HB 1 49 ASP H . . 4.320 3.978 2.528 4.405 0.085 10 0 "[ . 1 . 2]" 1
1168 1 48 VAL HB 1 52 SER HB2 . . 5.040 4.318 2.062 5.110 0.070 19 0 "[ . 1 . 2]" 1
1169 1 48 VAL HB 1 103 GLU HB3 . . 5.500 3.395 2.576 4.897 . 0 0 "[ . 1 . 2]" 1
1170 1 48 VAL HB 1 104 SER HA . . 4.750 3.636 2.777 4.488 . 0 0 "[ . 1 . 2]" 1
1171 1 48 VAL HB 1 107 TYR H . . 5.500 4.859 4.454 5.603 0.103 5 0 "[ . 1 . 2]" 1
1172 1 48 VAL HB 1 107 TYR HB2 . . 5.130 2.860 2.354 4.251 . 0 0 "[ . 1 . 2]" 1
1173 1 48 VAL HB 1 107 TYR QD . . 4.490 3.872 2.986 4.420 . 0 0 "[ . 1 . 2]" 1
1174 1 48 VAL HB 1 107 TYR QR . . 5.380 3.767 2.932 4.317 . 0 0 "[ . 1 . 2]" 1
1175 1 48 VAL QG 1 49 ASP H . . 3.510 2.766 1.796 3.363 . 0 0 "[ . 1 . 2]" 1
1176 1 48 VAL QG 1 49 ASP HA . . 4.580 3.738 3.366 4.326 . 0 0 "[ . 1 . 2]" 1
1177 1 48 VAL QG 1 50 GLN H . . 5.500 5.099 4.772 5.396 . 0 0 "[ . 1 . 2]" 1
1178 1 48 VAL QG 1 51 ALA H . . 5.500 4.923 3.814 5.390 . 0 0 "[ . 1 . 2]" 1
1179 1 48 VAL QG 1 52 SER H . . 5.500 4.114 3.571 4.711 . 0 0 "[ . 1 . 2]" 1
1180 1 48 VAL QG 1 52 SER HA . . 5.500 4.307 4.066 4.959 . 0 0 "[ . 1 . 2]" 1
1181 1 48 VAL QG 1 52 SER HB2 . . 3.590 2.337 2.061 3.009 . 0 0 "[ . 1 . 2]" 1
1182 1 48 VAL QG 1 52 SER HB3 . . 4.530 2.404 1.926 3.058 . 0 0 "[ . 1 . 2]" 1
1183 1 48 VAL QG 1 57 PHE QD . . 4.530 2.456 2.057 2.933 . 0 0 "[ . 1 . 2]" 1
1184 1 48 VAL QG 1 57 PHE QE . . 3.720 2.086 1.979 2.321 . 0 0 "[ . 1 . 2]" 1
1185 1 48 VAL QG 1 57 PHE HZ . . 4.970 3.710 3.112 4.206 . 0 0 "[ . 1 . 2]" 1
1186 1 48 VAL QG 1 100 TYR QD . . 4.140 2.840 2.171 3.500 . 0 0 "[ . 1 . 2]" 1
1187 1 48 VAL QG 1 100 TYR QE . . 3.640 2.793 2.316 3.351 . 0 0 "[ . 1 . 2]" 1
1188 1 48 VAL QG 1 103 GLU H . . 5.500 4.139 3.895 4.406 . 0 0 "[ . 1 . 2]" 1
1189 1 48 VAL QG 1 103 GLU HA . . 5.300 3.957 3.596 4.180 . 0 0 "[ . 1 . 2]" 1
1190 1 48 VAL QG 1 103 GLU HB2 . . 3.970 2.455 2.074 3.123 . 0 0 "[ . 1 . 2]" 1
1191 1 48 VAL QG 1 103 GLU HB3 . . 3.820 2.096 1.899 2.304 . 0 0 "[ . 1 . 2]" 1
1192 1 48 VAL QG 1 103 GLU HG2 . . 5.500 4.020 3.587 4.331 . 0 0 "[ . 1 . 2]" 1
1193 1 48 VAL QG 1 103 GLU HG3 . . 5.500 3.147 2.828 3.587 . 0 0 "[ . 1 . 2]" 1
1194 1 48 VAL QG 1 104 SER H . . 5.070 3.001 2.719 3.476 . 0 0 "[ . 1 . 2]" 1
1195 1 48 VAL QG 1 104 SER HA . . 3.700 2.169 2.027 2.404 . 0 0 "[ . 1 . 2]" 1
1196 1 48 VAL QG 1 104 SER HB2 . . 5.130 3.175 2.527 4.004 . 0 0 "[ . 1 . 2]" 1
1197 1 48 VAL QG 1 104 SER HB3 . . 5.270 3.821 2.517 4.531 . 0 0 "[ . 1 . 2]" 1
1198 1 48 VAL QG 1 107 TYR H . . 5.040 3.995 3.074 4.449 . 0 0 "[ . 1 . 2]" 1
1199 1 48 VAL QG 1 107 TYR HA . . 5.440 4.442 3.649 4.867 . 0 0 "[ . 1 . 2]" 1
1200 1 48 VAL QG 1 107 TYR HB2 . . 4.150 2.776 1.942 3.290 . 0 0 "[ . 1 . 2]" 1
1201 1 48 VAL QG 1 107 TYR HB3 . . 4.130 2.563 1.952 3.006 . 0 0 "[ . 1 . 2]" 1
1202 1 48 VAL QG 1 107 TYR QD . . 3.550 2.741 2.625 2.967 . 0 0 "[ . 1 . 2]" 1
1203 1 48 VAL QG 1 107 TYR QR . . 3.970 2.622 2.510 2.897 . 0 0 "[ . 1 . 2]" 1
1204 1 48 VAL QG 1 107 TYR QE . . 4.120 3.404 2.886 4.090 . 0 0 "[ . 1 . 2]" 1
1205 1 48 VAL QG 1 108 TYR H . . 5.500 4.417 4.113 4.719 . 0 0 "[ . 1 . 2]" 1
1206 1 48 VAL QG 1 108 TYR QD . . 5.500 5.041 4.488 5.410 . 0 0 "[ . 1 . 2]" 1
1207 1 49 ASP H 1 50 GLN H . . 4.360 4.253 4.134 4.438 0.078 10 0 "[ . 1 . 2]" 1
1208 1 49 ASP H 1 51 ALA MB . . 5.500 5.273 4.765 5.594 0.094 14 0 "[ . 1 . 2]" 1
1209 1 49 ASP H 1 52 SER H . . 4.390 3.671 2.856 4.446 0.056 1 0 "[ . 1 . 2]" 1
1210 1 49 ASP H 1 52 SER HB2 . . 4.280 2.186 1.612 3.085 . 0 0 "[ . 1 . 2]" 1
1211 1 49 ASP H 1 52 SER HB3 . . 4.530 3.177 2.685 4.005 . 0 0 "[ . 1 . 2]" 1
1212 1 49 ASP HA 1 50 GLN H . . 3.350 2.621 2.308 2.923 . 0 0 "[ . 1 . 2]" 1
1213 1 49 ASP HA 1 107 TYR QR . . 3.890 2.929 2.166 3.990 0.100 5 0 "[ . 1 . 2]" 1
1214 1 49 ASP HB2 1 50 GLN H . . 3.240 3.117 1.967 3.643 0.403 15 0 "[ . 1 . 2]" 1
1215 1 49 ASP HB2 1 50 GLN HB3 . . 5.140 5.087 4.029 6.031 0.891 4 7 "[ * +.* ** - . * 2]" 1
1216 1 49 ASP HB2 1 51 ALA H . . 4.940 3.847 2.134 4.924 . 0 0 "[ . 1 . 2]" 1
1217 1 49 ASP HB3 1 50 GLN H . . 3.550 2.812 2.008 3.634 0.084 18 0 "[ . 1 . 2]" 1
1218 1 49 ASP HB3 1 51 ALA H . . 5.500 3.484 1.991 4.889 . 0 0 "[ . 1 . 2]" 1
1219 1 50 GLN H 1 50 GLN HB2 . . 3.680 3.417 2.215 3.760 0.080 14 0 "[ . 1 . 2]" 1
1220 1 50 GLN H 1 50 GLN HB3 . . 3.410 2.348 2.075 2.776 . 0 0 "[ . 1 . 2]" 1
1221 1 50 GLN H 1 50 GLN HG2 . . 4.120 2.637 2.079 4.195 0.075 3 0 "[ . 1 . 2]" 1
1222 1 50 GLN H 1 50 GLN HG3 . . 4.130 3.777 3.404 4.222 0.092 15 0 "[ . 1 . 2]" 1
1223 1 50 GLN H 1 51 ALA HA . . 5.500 5.512 5.248 5.592 0.092 14 0 "[ . 1 . 2]" 1
1224 1 50 GLN H 1 51 ALA MB . . 5.170 4.625 4.339 5.268 0.098 1 0 "[ . 1 . 2]" 1
1225 1 50 GLN H 1 107 TYR QE . . 4.130 3.741 3.038 4.215 0.085 13 0 "[ . 1 . 2]" 1
1226 1 50 GLN HA 1 50 GLN HB3 . . 2.880 2.522 2.355 3.065 0.185 15 0 "[ . 1 . 2]" 1
1227 1 50 GLN HA 1 50 GLN HE21 . . 5.500 5.386 4.740 5.587 0.087 18 0 "[ . 1 . 2]" 1
1228 1 50 GLN HA 1 50 GLN HG2 . . 3.760 3.681 3.212 3.812 0.052 4 0 "[ . 1 . 2]" 1
1229 1 50 GLN HA 1 50 GLN HG3 . . 3.870 3.686 2.440 3.922 0.052 7 0 "[ . 1 . 2]" 1
1230 1 50 GLN HA 1 51 ALA HA . . 4.900 4.651 4.496 4.749 . 0 0 "[ . 1 . 2]" 1
1231 1 50 GLN HA 1 51 ALA MB . . 5.030 4.736 4.245 5.027 . 0 0 "[ . 1 . 2]" 1
1232 1 50 GLN HA 1 107 TYR QR . . 4.190 3.260 1.972 4.075 . 0 0 "[ . 1 . 2]" 1
1233 1 50 GLN HB2 1 50 GLN HG3 . . 3.020 2.406 2.312 2.485 . 0 0 "[ . 1 . 2]" 1
1234 1 50 GLN HB2 1 51 ALA H . . 4.170 4.082 3.515 4.255 0.085 13 0 "[ . 1 . 2]" 1
1235 1 50 GLN HB2 1 51 ALA MB . . 4.600 4.335 3.184 5.242 0.642 3 1 "[ + . 1 . 2]" 1
1236 1 50 GLN HE21 1 51 ALA MB . . 5.030 4.190 2.791 5.001 . 0 0 "[ . 1 . 2]" 1
1237 1 50 GLN HE22 1 51 ALA MB . . 5.500 5.279 4.192 5.593 0.093 10 0 "[ . 1 . 2]" 1
1238 1 50 GLN HG2 1 51 ALA H . . 4.820 2.832 2.450 3.548 . 0 0 "[ . 1 . 2]" 1
1239 1 50 GLN HG2 1 51 ALA HA . . 5.080 4.756 3.787 5.311 0.231 14 0 "[ . 1 . 2]" 1
1240 1 50 GLN HG2 1 51 ALA MB . . 4.770 3.341 2.679 3.771 . 0 0 "[ . 1 . 2]" 1
1241 1 50 GLN HG3 1 51 ALA HA . . 5.220 4.191 3.641 5.182 . 0 0 "[ . 1 . 2]" 1
1242 1 50 GLN HG3 1 51 ALA MB . . 4.980 2.881 2.199 5.059 0.079 15 0 "[ . 1 . 2]" 1
1243 1 51 ALA H 1 51 ALA MB . . 3.010 2.528 2.275 2.774 . 0 0 "[ . 1 . 2]" 1
1244 1 51 ALA H 1 52 SER H . . 3.180 2.626 1.980 3.259 0.079 4 0 "[ . 1 . 2]" 1
1245 1 51 ALA H 1 52 SER HA . . 5.450 4.646 4.189 5.214 . 0 0 "[ . 1 . 2]" 1
1246 1 51 ALA H 1 52 SER HB2 . . 5.210 4.020 3.489 4.600 . 0 0 "[ . 1 . 2]" 1
1247 1 51 ALA H 1 53 ASN H . . 5.140 4.916 4.456 5.193 0.053 17 0 "[ . 1 . 2]" 1
1248 1 51 ALA H 1 107 TYR QE . . 5.500 5.215 4.168 5.601 0.101 20 0 "[ . 1 . 2]" 1
1249 1 51 ALA HA 1 56 ASN QD . . 5.500 4.479 3.095 5.349 . 0 0 "[ . 1 . 2]" 1
1250 1 51 ALA MB 1 52 SER H . . 3.820 3.179 2.051 3.723 . 0 0 "[ . 1 . 2]" 1
1251 1 51 ALA MB 1 52 SER HA . . 4.090 4.060 3.687 4.213 0.123 18 0 "[ . 1 . 2]" 1
1252 1 51 ALA MB 1 53 ASN H . . 4.670 3.888 2.696 4.624 . 0 0 "[ . 1 . 2]" 1
1253 1 51 ALA MB 1 56 ASN QB . . 5.230 4.653 3.642 5.283 0.053 1 0 "[ . 1 . 2]" 1
1254 1 51 ALA MB 1 56 ASN QD . . 5.500 3.543 2.564 4.709 . 0 0 "[ . 1 . 2]" 1
1255 1 52 SER H 1 52 SER HB2 . . 3.630 2.563 2.084 3.176 . 0 0 "[ . 1 . 2]" 1
1256 1 52 SER H 1 52 SER HB3 . . 3.750 3.655 3.443 3.838 0.088 1 0 "[ . 1 . 2]" 1
1257 1 52 SER H 1 53 ASN H . . 4.390 2.858 1.994 3.773 . 0 0 "[ . 1 . 2]" 1
1258 1 52 SER H 1 53 ASN QB . . 5.500 4.983 3.738 5.595 0.095 14 0 "[ . 1 . 2]" 1
1259 1 52 SER H 1 53 ASN HD21 . . 4.920 4.515 3.704 4.994 0.074 16 0 "[ . 1 . 2]" 1
1260 1 52 SER H 1 53 ASN HD22 . . 5.500 5.295 4.388 5.589 0.089 5 0 "[ . 1 . 2]" 1
1261 1 52 SER H 1 56 ASN QB . . 5.500 5.194 4.453 5.613 0.113 17 0 "[ . 1 . 2]" 1
1262 1 52 SER HA 1 53 ASN H . . 2.980 2.902 2.093 3.057 0.077 13 0 "[ . 1 . 2]" 1
1263 1 52 SER HA 1 56 ASN H . . 5.150 4.932 4.162 5.223 0.073 13 0 "[ . 1 . 2]" 1
1264 1 52 SER HA 1 56 ASN QB . . 4.570 3.377 2.183 4.666 0.096 11 0 "[ . 1 . 2]" 1
1265 1 52 SER HA 1 56 ASN QD . . 4.720 3.140 1.714 4.312 . 0 0 "[ . 1 . 2]" 1
1266 1 52 SER HB2 1 100 TYR QE . . 4.870 4.117 3.305 4.966 0.096 3 0 "[ . 1 . 2]" 1
1267 1 52 SER HB3 1 53 ASN H . . 4.330 4.347 4.007 4.403 0.073 8 0 "[ . 1 . 2]" 1
1268 1 52 SER HB3 1 100 TYR QE . . 3.710 3.741 3.307 3.823 0.113 9 0 "[ . 1 . 2]" 1
1269 1 53 ASN H 1 53 ASN QB . . 3.680 2.633 2.209 2.999 . 0 0 "[ . 1 . 2]" 1
1270 1 53 ASN H 1 53 ASN HD22 . . 5.500 3.350 2.940 3.935 . 0 0 "[ . 1 . 2]" 1
1271 1 53 ASN H 1 54 GLN H . . 4.880 4.671 4.545 4.747 . 0 0 "[ . 1 . 2]" 1
1272 1 53 ASN H 1 56 ASN H . . 4.900 4.413 3.226 4.864 . 0 0 "[ . 1 . 2]" 1
1273 1 53 ASN H 1 56 ASN QD . . 5.020 2.862 2.009 4.276 . 0 0 "[ . 1 . 2]" 1
1274 1 53 ASN H 1 57 PHE HB2 . . 5.420 4.915 4.310 5.431 0.011 20 0 "[ . 1 . 2]" 1
1275 1 53 ASN H 1 100 TYR QE . . 4.600 4.608 4.329 4.703 0.103 5 0 "[ . 1 . 2]" 1
1276 1 53 ASN HA 1 54 GLN H . . 3.150 2.355 2.246 2.505 . 0 0 "[ . 1 . 2]" 1
1277 1 53 ASN HA 1 54 GLN HA . . 4.850 4.089 3.415 4.456 . 0 0 "[ . 1 . 2]" 1
1278 1 53 ASN HA 1 55 ASN H . . 4.880 4.587 4.288 4.949 0.069 16 0 "[ . 1 . 2]" 1
1279 1 53 ASN HA 1 57 PHE H . . 5.320 5.236 5.031 5.411 0.091 12 0 "[ . 1 . 2]" 1
1280 1 53 ASN HA 1 57 PHE HB2 . . 5.220 4.685 4.373 5.029 . 0 0 "[ . 1 . 2]" 1
1281 1 53 ASN HA 1 100 TYR QE . . 2.790 2.833 2.661 2.900 0.110 9 0 "[ . 1 . 2]" 1
1282 1 53 ASN QB 1 54 GLN H . . 3.540 2.522 2.271 2.852 . 0 0 "[ . 1 . 2]" 1
1283 1 53 ASN QB 1 54 GLN HB3 . . 5.420 4.220 3.791 4.640 . 0 0 "[ . 1 . 2]" 1
1284 1 53 ASN QB 1 55 ASN H . . 4.120 3.256 2.478 4.223 0.103 10 0 "[ . 1 . 2]" 1
1285 1 53 ASN QB 1 100 TYR QE . . 4.610 4.333 3.996 4.600 . 0 0 "[ . 1 . 2]" 1
1286 1 53 ASN HD21 1 54 GLN H . . 5.500 5.388 4.640 5.574 0.074 4 0 "[ . 1 . 2]" 1
1287 1 53 ASN HD21 1 55 ASN H . . 5.500 5.333 4.566 5.585 0.085 12 0 "[ . 1 . 2]" 1
1288 1 53 ASN HD21 1 56 ASN QD . . 3.810 2.541 1.733 3.591 . 0 0 "[ . 1 . 2]" 1
1289 1 53 ASN HD22 1 56 ASN H . . 5.380 4.530 2.445 5.470 0.090 9 0 "[ . 1 . 2]" 1
1290 1 53 ASN HD22 1 56 ASN QB . . 5.190 4.238 2.463 5.281 0.091 14 0 "[ . 1 . 2]" 1
1291 1 53 ASN HD22 1 56 ASN QD . . 4.680 2.646 1.670 3.717 . 0 0 "[ . 1 . 2]" 1
1292 1 54 GLN H 1 54 GLN HB2 . . 3.610 2.728 2.356 3.380 . 0 0 "[ . 1 . 2]" 1
1293 1 54 GLN H 1 54 GLN HB3 . . 3.610 2.451 2.069 2.749 . 0 0 "[ . 1 . 2]" 1
1294 1 54 GLN H 1 54 GLN HG2 . . 4.760 4.251 3.551 4.761 0.001 16 0 "[ . 1 . 2]" 1
1295 1 54 GLN H 1 54 GLN HG3 . . 4.680 4.430 4.265 4.549 . 0 0 "[ . 1 . 2]" 1
1296 1 54 GLN H 1 55 ASN H . . 3.720 3.071 2.710 3.230 . 0 0 "[ . 1 . 2]" 1
1297 1 54 GLN H 1 55 ASN HA . . 5.500 5.522 5.263 5.598 0.098 20 0 "[ . 1 . 2]" 1
1298 1 54 GLN H 1 100 TYR QE . . 4.160 3.097 2.436 3.431 . 0 0 "[ . 1 . 2]" 1
1299 1 54 GLN HA 1 54 GLN HG3 . . 4.070 2.879 2.343 3.444 . 0 0 "[ . 1 . 2]" 1
1300 1 54 GLN HA 1 57 PHE H . . 4.960 3.387 3.065 3.728 . 0 0 "[ . 1 . 2]" 1
1301 1 54 GLN HA 1 57 PHE HB3 . . 4.910 2.352 2.023 3.078 . 0 0 "[ . 1 . 2]" 1
1302 1 54 GLN HA 1 58 VAL QG . . 5.020 3.157 2.874 3.447 . 0 0 "[ . 1 . 2]" 1
1303 1 54 GLN HA 1 100 TYR QD . . 4.270 3.271 2.856 3.753 . 0 0 "[ . 1 . 2]" 1
1304 1 54 GLN HA 1 100 TYR QE . . 4.850 3.549 3.014 3.977 . 0 0 "[ . 1 . 2]" 1
1305 1 54 GLN HB2 1 55 ASN H . . 5.090 4.100 3.711 4.595 . 0 0 "[ . 1 . 2]" 1
1306 1 54 GLN HB2 1 100 TYR QD . . 5.200 2.894 2.378 3.509 . 0 0 "[ . 1 . 2]" 1
1307 1 54 GLN HB2 1 100 TYR QE . . 3.770 2.834 2.186 3.600 . 0 0 "[ . 1 . 2]" 1
1308 1 54 GLN HB3 1 54 GLN HE22 . . 5.500 4.335 3.744 5.056 . 0 0 "[ . 1 . 2]" 1
1309 1 54 GLN HB3 1 55 ASN H . . 3.670 3.005 2.260 3.747 0.077 6 0 "[ . 1 . 2]" 1
1310 1 54 GLN HB3 1 97 VAL QG . . 5.270 4.710 4.117 5.226 . 0 0 "[ . 1 . 2]" 1
1311 1 54 GLN HB3 1 100 TYR QB . . 5.500 5.072 4.524 5.823 0.323 17 0 "[ . 1 . 2]" 1
1312 1 54 GLN HB3 1 100 TYR QE . . 4.540 3.558 2.627 4.219 . 0 0 "[ . 1 . 2]" 1
1313 1 54 GLN HE21 1 58 VAL QG . . 4.360 3.817 2.941 4.423 0.063 5 0 "[ . 1 . 2]" 1
1314 1 54 GLN HE21 1 97 VAL HB . . 5.500 5.181 2.454 6.424 0.924 6 2 "[ -+ 1 . 2]" 1
1315 1 54 GLN HE21 1 97 VAL QG . . 4.000 2.715 2.297 3.273 . 0 0 "[ . 1 . 2]" 1
1316 1 54 GLN HE22 1 58 VAL QG . . 5.500 4.412 3.815 4.824 . 0 0 "[ . 1 . 2]" 1
1317 1 54 GLN HE22 1 97 VAL QG . . 4.210 2.346 1.769 3.022 . 0 0 "[ . 1 . 2]" 1
1318 1 54 GLN HE22 1 100 TYR QE . . 4.970 4.710 3.860 5.792 0.822 6 2 "[ -+ 1 . 2]" 1
1319 1 54 GLN HE22 1 101 GLN QE . . 3.990 2.930 2.165 4.306 0.316 6 0 "[ . 1 . 2]" 1
1320 1 54 GLN HG2 1 55 ASN H . . 4.770 3.517 2.789 4.310 . 0 0 "[ . 1 . 2]" 1
1321 1 54 GLN HG2 1 55 ASN HA . . 4.930 3.806 3.033 4.877 . 0 0 "[ . 1 . 2]" 1
1322 1 54 GLN HG2 1 55 ASN HB2 . . 5.500 4.876 3.867 5.573 0.073 19 0 "[ . 1 . 2]" 1
1323 1 54 GLN HG2 1 58 VAL H . . 5.500 4.720 3.800 5.570 0.070 16 0 "[ . 1 . 2]" 1
1324 1 54 GLN HG2 1 58 VAL QG . . 4.050 2.959 2.126 3.936 . 0 0 "[ . 1 . 2]" 1
1325 1 54 GLN HG2 1 100 TYR QE . . 5.230 5.103 4.615 5.335 0.105 3 0 "[ . 1 . 2]" 1
1326 1 54 GLN HG3 1 55 ASN H . . 4.800 4.219 3.247 4.873 0.073 3 0 "[ . 1 . 2]" 1
1327 1 54 GLN HG3 1 58 VAL QG . . 3.800 2.315 2.012 2.706 . 0 0 "[ . 1 . 2]" 1
1328 1 54 GLN HG3 1 97 VAL QG . . 4.450 3.294 1.948 3.802 . 0 0 "[ . 1 . 2]" 1
1329 1 54 GLN HG3 1 100 TYR QD . . 5.250 4.012 2.611 5.093 . 0 0 "[ . 1 . 2]" 1
1330 1 54 GLN HG3 1 100 TYR QE . . 5.500 4.806 3.501 5.590 0.090 5 0 "[ . 1 . 2]" 1
1331 1 55 ASN H 1 55 ASN HB2 . . 3.130 2.126 1.977 2.304 . 0 0 "[ . 1 . 2]" 1
1332 1 55 ASN H 1 55 ASN HB3 . . 3.160 2.993 2.287 3.252 0.092 16 0 "[ . 1 . 2]" 1
1333 1 55 ASN H 1 55 ASN HD21 . . 5.000 4.706 4.205 5.005 0.005 17 0 "[ . 1 . 2]" 1
1334 1 55 ASN H 1 55 ASN HD22 . . 5.410 5.474 5.316 5.505 0.095 11 0 "[ . 1 . 2]" 1
1335 1 55 ASN H 1 56 ASN H . . 3.400 2.930 2.702 3.105 . 0 0 "[ . 1 . 2]" 1
1336 1 55 ASN H 1 56 ASN HA . . 5.500 5.506 5.318 5.586 0.086 20 0 "[ . 1 . 2]" 1
1337 1 55 ASN H 1 58 VAL QG . . 5.500 4.472 3.437 4.835 . 0 0 "[ . 1 . 2]" 1
1338 1 55 ASN HA 1 55 ASN HB2 . . 3.040 2.734 2.483 2.965 . 0 0 "[ . 1 . 2]" 1
1339 1 55 ASN HA 1 55 ASN HD21 . . 4.880 2.838 2.086 4.353 . 0 0 "[ . 1 . 2]" 1
1340 1 55 ASN HA 1 55 ASN HD22 . . 5.400 3.472 3.071 4.475 . 0 0 "[ . 1 . 2]" 1
1341 1 55 ASN HA 1 57 PHE H . . 5.500 4.216 3.825 4.527 . 0 0 "[ . 1 . 2]" 1
1342 1 55 ASN HA 1 58 VAL H . . 4.390 4.023 3.689 4.363 . 0 0 "[ . 1 . 2]" 1
1343 1 55 ASN HA 1 58 VAL HB . . 3.870 3.510 3.029 3.967 0.097 16 0 "[ . 1 . 2]" 1
1344 1 55 ASN HA 1 58 VAL QG . . 4.510 3.490 1.888 4.153 . 0 0 "[ . 1 . 2]" 1
1345 1 55 ASN HB2 1 55 ASN HD21 . . 3.600 3.525 2.739 3.665 0.065 2 0 "[ . 1 . 2]" 1
1346 1 55 ASN HB2 1 56 ASN H . . 3.630 3.444 2.912 3.718 0.088 20 0 "[ . 1 . 2]" 1
1347 1 55 ASN HB2 1 56 ASN QD . . 5.500 4.866 3.502 5.417 . 0 0 "[ . 1 . 2]" 1
1348 1 55 ASN HB3 1 56 ASN H . . 3.630 2.612 2.200 3.239 . 0 0 "[ . 1 . 2]" 1
1349 1 55 ASN HB3 1 56 ASN HA . . 5.110 4.050 3.740 4.462 . 0 0 "[ . 1 . 2]" 1
1350 1 55 ASN HB3 1 56 ASN QB . . 4.350 4.185 3.619 4.456 0.106 8 0 "[ . 1 . 2]" 1
1351 1 55 ASN HD21 1 56 ASN H . . 5.390 4.316 3.015 5.250 . 0 0 "[ . 1 . 2]" 1
1352 1 55 ASN HD21 1 56 ASN HA . . 5.500 4.286 3.120 5.579 0.079 10 0 "[ . 1 . 2]" 1
1353 1 56 ASN H 1 56 ASN QB . . 3.220 2.513 1.950 3.046 . 0 0 "[ . 1 . 2]" 1
1354 1 56 ASN H 1 56 ASN QD . . 5.140 2.766 1.805 3.661 . 0 0 "[ . 1 . 2]" 1
1355 1 56 ASN H 1 57 PHE H . . 3.410 2.453 2.286 2.627 . 0 0 "[ . 1 . 2]" 1
1356 1 56 ASN H 1 57 PHE HA . . 5.030 5.046 4.828 5.109 0.079 20 0 "[ . 1 . 2]" 1
1357 1 56 ASN H 1 58 VAL H . . 5.170 4.313 4.118 4.544 . 0 0 "[ . 1 . 2]" 1
1358 1 56 ASN HA 1 58 VAL H . . 5.500 4.752 4.376 5.169 . 0 0 "[ . 1 . 2]" 1
1359 1 56 ASN HA 1 59 HIS H . . 4.170 3.429 2.835 3.863 . 0 0 "[ . 1 . 2]" 1
1360 1 56 ASN HA 1 59 HIS HB2 . . 3.880 3.253 2.746 3.760 . 0 0 "[ . 1 . 2]" 1
1361 1 56 ASN HA 1 59 HIS HB3 . . 3.650 2.512 2.160 2.924 . 0 0 "[ . 1 . 2]" 1
1362 1 56 ASN QB 1 57 PHE H . . 3.750 3.280 2.720 3.815 0.065 3 0 "[ . 1 . 2]" 1
1363 1 56 ASN QB 1 58 VAL H . . 5.500 5.164 4.764 5.561 0.061 18 0 "[ . 1 . 2]" 1
1364 1 56 ASN QD 1 57 PHE H . . 5.500 4.126 2.431 5.253 . 0 0 "[ . 1 . 2]" 1
1365 1 57 PHE H 1 57 PHE HB2 . . 3.680 2.570 2.369 2.938 . 0 0 "[ . 1 . 2]" 1
1366 1 57 PHE H 1 57 PHE HB3 . . 3.640 2.473 2.252 2.645 . 0 0 "[ . 1 . 2]" 1
1367 1 57 PHE H 1 57 PHE QD . . 5.190 4.192 4.038 4.247 . 0 0 "[ . 1 . 2]" 1
1368 1 57 PHE H 1 58 VAL H . . 3.750 2.390 2.076 2.615 . 0 0 "[ . 1 . 2]" 1
1369 1 57 PHE H 1 58 VAL HB . . 4.960 4.526 4.242 5.067 0.107 12 0 "[ . 1 . 2]" 1
1370 1 57 PHE H 1 58 VAL QG . . 5.130 3.835 2.912 4.250 . 0 0 "[ . 1 . 2]" 1
1371 1 57 PHE H 1 59 HIS H . . 4.790 3.614 3.134 3.814 . 0 0 "[ . 1 . 2]" 1
1372 1 57 PHE H 1 59 HIS HB2 . . 5.500 5.392 4.929 5.563 0.063 8 0 "[ . 1 . 2]" 1
1373 1 57 PHE H 1 60 ASP H . . 5.500 4.736 4.492 5.062 . 0 0 "[ . 1 . 2]" 1
1374 1 57 PHE H 1 61 CYS H . . 5.500 5.562 5.439 5.596 0.096 9 0 "[ . 1 . 2]" 1
1375 1 57 PHE H 1 100 TYR QD . . 5.500 5.182 4.713 5.572 0.072 2 0 "[ . 1 . 2]" 1
1376 1 57 PHE HA 1 57 PHE QD . . 4.460 3.140 2.946 3.258 . 0 0 "[ . 1 . 2]" 1
1377 1 57 PHE HA 1 58 VAL QG . . 5.320 4.743 4.447 4.908 . 0 0 "[ . 1 . 2]" 1
1378 1 57 PHE HA 1 59 HIS H . . 5.220 4.494 4.243 4.713 . 0 0 "[ . 1 . 2]" 1
1379 1 57 PHE HA 1 60 ASP H . . 4.780 3.769 3.485 4.242 . 0 0 "[ . 1 . 2]" 1
1380 1 57 PHE HA 1 60 ASP QB . . 4.180 3.450 2.886 3.795 . 0 0 "[ . 1 . 2]" 1
1381 1 57 PHE HA 1 61 CYS H . . 4.630 3.856 3.651 4.080 . 0 0 "[ . 1 . 2]" 1
1382 1 57 PHE HB2 1 58 VAL H . . 4.610 3.697 3.596 3.954 . 0 0 "[ . 1 . 2]" 1
1383 1 57 PHE HB2 1 58 VAL QG . . 5.500 4.501 4.234 4.758 . 0 0 "[ . 1 . 2]" 1
1384 1 57 PHE HB2 1 100 TYR QD . . 5.370 3.177 2.699 3.736 . 0 0 "[ . 1 . 2]" 1
1385 1 57 PHE HB2 1 100 TYR QE . . 3.950 3.808 3.513 4.042 0.092 6 0 "[ . 1 . 2]" 1
1386 1 57 PHE HB3 1 58 VAL H . . 4.160 2.379 2.245 2.662 . 0 0 "[ . 1 . 2]" 1
1387 1 57 PHE HB3 1 58 VAL QG . . 5.500 3.059 2.715 3.307 . 0 0 "[ . 1 . 2]" 1
1388 1 57 PHE HB3 1 100 TYR QD . . 4.390 3.283 2.750 3.787 . 0 0 "[ . 1 . 2]" 1
1389 1 57 PHE QD 1 58 VAL H . . 4.630 3.313 3.109 3.575 . 0 0 "[ . 1 . 2]" 1
1390 1 57 PHE QD 1 58 VAL HA . . 4.220 3.210 2.935 3.436 . 0 0 "[ . 1 . 2]" 1
1391 1 57 PHE QD 1 58 VAL QG . . 3.920 2.884 2.261 3.445 . 0 0 "[ . 1 . 2]" 1
1392 1 57 PHE QD 1 100 TYR H . . 5.500 4.098 3.730 4.578 . 0 0 "[ . 1 . 2]" 1
1393 1 57 PHE QD 1 100 TYR QB . . 4.730 2.599 2.369 2.908 . 0 0 "[ . 1 . 2]" 1
1394 1 57 PHE QD 1 100 TYR QD . . 4.360 2.903 2.580 3.147 . 0 0 "[ . 1 . 2]" 1
1395 1 57 PHE QD 1 100 TYR QE . . 4.160 4.000 3.690 4.235 0.075 7 0 "[ . 1 . 2]" 1
1396 1 57 PHE QE 1 58 VAL QG . . 5.130 4.363 3.747 5.006 . 0 0 "[ . 1 . 2]" 1
1397 1 57 PHE QE 1 96 CYS HA . . 4.470 3.384 2.933 4.221 . 0 0 "[ . 1 . 2]" 1
1398 1 57 PHE QE 1 96 CYS HB3 . . 5.220 3.924 2.993 5.127 . 0 0 "[ . 1 . 2]" 1
1399 1 57 PHE QE 1 99 GLN H . . 5.160 4.754 4.472 5.181 0.021 6 0 "[ . 1 . 2]" 1
1400 1 57 PHE QE 1 99 GLN HB2 . . 4.780 3.989 3.351 4.463 . 0 0 "[ . 1 . 2]" 1
1401 1 57 PHE QE 1 99 GLN HB3 . . 3.990 2.627 2.179 3.333 . 0 0 "[ . 1 . 2]" 1
1402 1 57 PHE QE 1 99 GLN QG . . 5.500 4.056 3.108 5.093 . 0 0 "[ . 1 . 2]" 1
1403 1 57 PHE QE 1 100 TYR H . . 3.950 2.985 2.684 3.183 . 0 0 "[ . 1 . 2]" 1
1404 1 57 PHE QE 1 100 TYR QB . . 4.120 3.056 2.531 3.399 . 0 0 "[ . 1 . 2]" 1
1405 1 57 PHE QE 1 100 TYR QD . . 4.530 3.542 3.040 3.766 . 0 0 "[ . 1 . 2]" 1
1406 1 57 PHE QE 1 103 GLU HB2 . . 5.130 3.343 2.759 3.943 . 0 0 "[ . 1 . 2]" 1
1407 1 57 PHE QE 1 103 GLU HG2 . . 5.430 4.438 3.506 5.402 . 0 0 "[ . 1 . 2]" 1
1408 1 57 PHE HZ 1 99 GLN HB3 . . 3.780 3.305 2.452 3.827 0.047 6 0 "[ . 1 . 2]" 1
1409 1 57 PHE HZ 1 100 TYR H . . 5.500 4.194 3.899 4.481 . 0 0 "[ . 1 . 2]" 1
1410 1 57 PHE HZ 1 100 TYR QB . . 4.420 4.209 3.856 4.332 . 0 0 "[ . 1 . 2]" 1
1411 1 57 PHE HZ 1 103 GLU HG2 . . 4.860 3.797 2.301 5.263 0.403 16 0 "[ . 1 . 2]" 1
1412 1 57 PHE HZ 1 103 GLU HG3 . . 5.180 3.178 2.275 4.859 . 0 0 "[ . 1 . 2]" 1
1413 1 58 VAL H 1 58 VAL HB . . 3.400 2.531 2.258 3.389 . 0 0 "[ . 1 . 2]" 1
1414 1 58 VAL H 1 58 VAL QG . . 3.360 2.180 1.812 2.320 . 0 0 "[ . 1 . 2]" 1
1415 1 58 VAL H 1 59 HIS H . . 3.650 2.749 2.607 2.911 . 0 0 "[ . 1 . 2]" 1
1416 1 58 VAL H 1 60 ASP H . . 5.420 4.678 4.401 4.983 . 0 0 "[ . 1 . 2]" 1
1417 1 58 VAL HA 1 58 VAL QG . . 3.150 2.148 2.099 2.170 . 0 0 "[ . 1 . 2]" 1
1418 1 58 VAL HA 1 59 HIS HA . . 4.950 4.860 4.784 4.986 0.036 19 0 "[ . 1 . 2]" 1
1419 1 58 VAL HA 1 60 ASP H . . 5.430 4.929 4.696 5.097 . 0 0 "[ . 1 . 2]" 1
1420 1 58 VAL HA 1 61 CYS H . . 4.030 3.478 3.164 3.695 . 0 0 "[ . 1 . 2]" 1
1421 1 58 VAL HA 1 61 CYS HB2 . . 3.930 3.310 2.164 3.755 . 0 0 "[ . 1 . 2]" 1
1422 1 58 VAL HA 1 61 CYS HB3 . . 4.040 2.318 1.981 3.762 . 0 0 "[ . 1 . 2]" 1
1423 1 58 VAL HA 1 96 CYS HB3 . . 3.700 2.975 2.265 3.753 0.053 4 0 "[ . 1 . 2]" 1
1424 1 58 VAL HB 1 59 HIS H . . 3.590 2.927 2.654 3.352 . 0 0 "[ . 1 . 2]" 1
1425 1 58 VAL QG 1 59 HIS H . . 4.280 3.124 2.456 3.430 . 0 0 "[ . 1 . 2]" 1
1426 1 58 VAL QG 1 59 HIS HA . . 4.290 3.757 3.401 4.213 . 0 0 "[ . 1 . 2]" 1
1427 1 58 VAL QG 1 59 HIS HB2 . . 4.740 4.434 4.043 4.655 . 0 0 "[ . 1 . 2]" 1
1428 1 58 VAL QG 1 59 HIS HB3 . . 5.500 4.979 4.462 5.215 . 0 0 "[ . 1 . 2]" 1
1429 1 58 VAL QG 1 96 CYS HB3 . . 3.980 2.435 2.023 3.067 . 0 0 "[ . 1 . 2]" 1
1430 1 58 VAL QG 1 97 VAL H . . 4.430 3.326 2.894 3.828 . 0 0 "[ . 1 . 2]" 1
1431 1 58 VAL QG 1 97 VAL HA . . 3.510 3.033 2.562 3.496 . 0 0 "[ . 1 . 2]" 1
1432 1 58 VAL QG 1 100 TYR H . . 5.440 4.599 4.083 5.112 . 0 0 "[ . 1 . 2]" 1
1433 1 58 VAL QG 1 100 TYR QB . . 4.400 3.288 2.874 3.784 . 0 0 "[ . 1 . 2]" 1
1434 1 58 VAL QG 1 100 TYR QD . . 4.520 4.266 3.917 4.584 0.064 2 0 "[ . 1 . 2]" 1
1435 1 59 HIS H 1 59 HIS HB2 . . 3.290 2.530 2.404 2.625 . 0 0 "[ . 1 . 2]" 1
1436 1 59 HIS H 1 59 HIS HB3 . . 3.390 2.585 2.390 2.735 . 0 0 "[ . 1 . 2]" 1
1437 1 59 HIS H 1 59 HIS HD2 . . 5.500 4.949 4.808 5.066 . 0 0 "[ . 1 . 2]" 1
1438 1 59 HIS H 1 60 ASP H . . 3.640 3.076 2.923 3.169 . 0 0 "[ . 1 . 2]" 1
1439 1 59 HIS H 1 60 ASP QB . . 5.080 4.830 4.543 4.957 . 0 0 "[ . 1 . 2]" 1
1440 1 59 HIS H 1 62 VAL H . . 5.320 4.806 4.695 4.923 . 0 0 "[ . 1 . 2]" 1
1441 1 59 HIS HA 1 59 HIS HD2 . . 3.580 3.650 3.376 3.674 0.094 9 0 "[ . 1 . 2]" 1
1442 1 59 HIS HA 1 62 VAL H . . 4.440 3.966 3.750 4.314 . 0 0 "[ . 1 . 2]" 1
1443 1 59 HIS HA 1 62 VAL HB . . 3.800 3.441 3.040 3.770 . 0 0 "[ . 1 . 2]" 1
1444 1 59 HIS HA 1 62 VAL MG1 . . 4.890 4.671 4.205 4.958 0.068 7 0 "[ . 1 . 2]" 1
1445 1 59 HIS HA 1 62 VAL MG2 . . 5.240 4.156 3.836 4.520 . 0 0 "[ . 1 . 2]" 1
1446 1 59 HIS HA 1 63 ASN H . . 4.830 4.136 3.991 4.363 . 0 0 "[ . 1 . 2]" 1
1447 1 59 HIS HA 1 63 ASN HB3 . . 5.500 5.195 4.745 5.558 0.058 15 0 "[ . 1 . 2]" 1
1448 1 59 HIS HB2 1 60 ASP H . . 3.920 3.789 3.687 3.940 0.020 18 0 "[ . 1 . 2]" 1
1449 1 59 HIS HB3 1 59 HIS HD2 . . 3.510 2.977 2.741 3.563 0.053 20 0 "[ . 1 . 2]" 1
1450 1 59 HIS HB3 1 60 ASP H . . 3.650 2.342 2.196 2.557 . 0 0 "[ . 1 . 2]" 1
1451 1 59 HIS HB3 1 60 ASP HA . . 5.000 4.402 4.283 4.644 . 0 0 "[ . 1 . 2]" 1
1452 1 59 HIS HD2 1 60 ASP HA . . 4.030 2.569 2.342 3.075 . 0 0 "[ . 1 . 2]" 1
1453 1 59 HIS HD2 1 63 ASN HD21 . . 4.870 2.838 2.686 3.129 . 0 0 "[ . 1 . 2]" 1
1454 1 59 HIS HD2 1 63 ASN HD22 . . 4.320 4.352 4.174 4.394 0.074 2 0 "[ . 1 . 2]" 1
1455 1 59 HIS HE1 1 63 ASN HD21 . . 5.500 5.414 4.653 5.582 0.082 10 0 "[ . 1 . 2]" 1
1456 1 60 ASP H 1 60 ASP QB . . 3.300 2.133 2.031 2.211 . 0 0 "[ . 1 . 2]" 1
1457 1 60 ASP H 1 61 CYS H . . 3.260 2.707 2.580 2.933 . 0 0 "[ . 1 . 2]" 1
1458 1 60 ASP H 1 62 VAL H . . 4.990 4.666 4.462 4.797 . 0 0 "[ . 1 . 2]" 1
1459 1 60 ASP H 1 63 ASN H . . 5.500 4.815 4.706 5.045 . 0 0 "[ . 1 . 2]" 1
1460 1 60 ASP H 1 63 ASN HD21 . . 5.110 5.147 5.013 5.196 0.086 8 0 "[ . 1 . 2]" 1
1461 1 60 ASP HA 1 62 VAL H . . 5.500 4.787 4.425 5.004 . 0 0 "[ . 1 . 2]" 1
1462 1 60 ASP HA 1 63 ASN H . . 3.920 3.486 2.974 3.895 . 0 0 "[ . 1 . 2]" 1
1463 1 60 ASP HA 1 63 ASN HB2 . . 3.690 3.177 2.576 3.766 0.076 7 0 "[ . 1 . 2]" 1
1464 1 60 ASP HA 1 63 ASN HB3 . . 3.590 2.273 2.005 2.695 . 0 0 "[ . 1 . 2]" 1
1465 1 60 ASP HA 1 63 ASN HD21 . . 5.500 2.805 2.564 3.104 . 0 0 "[ . 1 . 2]" 1
1466 1 60 ASP HA 1 63 ASN HD22 . . 4.720 4.449 4.279 4.708 . 0 0 "[ . 1 . 2]" 1
1467 1 60 ASP HA 1 64 ILE H . . 4.450 3.559 3.333 3.797 . 0 0 "[ . 1 . 2]" 1
1468 1 60 ASP HA 1 64 ILE HB . . 4.950 4.445 4.306 4.582 . 0 0 "[ . 1 . 2]" 1
1469 1 60 ASP HA 1 64 ILE MD . . 5.430 2.992 2.870 3.139 . 0 0 "[ . 1 . 2]" 1
1470 1 60 ASP HA 1 64 ILE QG . . 5.030 5.109 5.057 5.141 0.111 19 0 "[ . 1 . 2]" 1
1471 1 60 ASP QB 1 61 CYS H . . 3.740 2.958 2.689 3.259 . 0 0 "[ . 1 . 2]" 1
1472 1 60 ASP QB 1 64 ILE MD . . 5.500 3.279 2.577 3.905 . 0 0 "[ . 1 . 2]" 1
1473 1 61 CYS H 1 61 CYS HB2 . . 3.570 2.578 2.352 2.778 . 0 0 "[ . 1 . 2]" 1
1474 1 61 CYS H 1 61 CYS HB3 . . 3.650 2.518 2.232 3.671 0.021 1 0 "[ . 1 . 2]" 1
1475 1 61 CYS H 1 62 VAL H . . 3.690 2.937 2.786 3.172 . 0 0 "[ . 1 . 2]" 1
1476 1 61 CYS H 1 62 VAL MG2 . . 5.250 4.544 4.341 4.675 . 0 0 "[ . 1 . 2]" 1
1477 1 61 CYS H 1 63 ASN H . . 5.130 3.984 3.771 4.150 . 0 0 "[ . 1 . 2]" 1
1478 1 61 CYS HA 1 63 ASN H . . 4.280 4.333 4.195 4.359 0.079 1 0 "[ . 1 . 2]" 1
1479 1 61 CYS HA 1 64 ILE H . . 4.200 3.760 3.560 3.912 . 0 0 "[ . 1 . 2]" 1
1480 1 61 CYS HA 1 64 ILE HB . . 4.650 3.495 3.102 3.712 . 0 0 "[ . 1 . 2]" 1
1481 1 61 CYS HA 1 64 ILE MG . . 3.910 3.964 3.768 4.011 0.101 3 0 "[ . 1 . 2]" 1
1482 1 61 CYS HA 1 65 THR H . . 5.450 3.672 3.451 3.805 . 0 0 "[ . 1 . 2]" 1
1483 1 61 CYS HB2 1 62 VAL H . . 4.160 3.686 2.276 3.958 . 0 0 "[ . 1 . 2]" 1
1484 1 61 CYS HB2 1 62 VAL MG2 . . 4.750 4.533 2.886 4.884 0.134 11 0 "[ . 1 . 2]" 1
1485 1 61 CYS HB3 1 62 VAL H . . 4.520 2.462 2.282 3.065 . 0 0 "[ . 1 . 2]" 1
1486 1 61 CYS HB3 1 62 VAL MG2 . . 5.500 3.209 2.981 3.390 . 0 0 "[ . 1 . 2]" 1
1487 1 61 CYS HB3 1 63 ASN H . . 5.500 4.721 4.569 5.019 . 0 0 "[ . 1 . 2]" 1
1488 1 62 VAL H 1 62 VAL HB . . 3.360 2.384 2.221 2.506 . 0 0 "[ . 1 . 2]" 1
1489 1 62 VAL H 1 62 VAL MG1 . . 3.970 3.744 3.671 3.791 . 0 0 "[ . 1 . 2]" 1
1490 1 62 VAL H 1 62 VAL MG2 . . 3.150 2.227 2.106 2.318 . 0 0 "[ . 1 . 2]" 1
1491 1 62 VAL H 1 63 ASN H . . 3.640 2.618 2.470 2.724 . 0 0 "[ . 1 . 2]" 1
1492 1 62 VAL H 1 63 ASN HA . . 5.500 5.283 5.178 5.352 . 0 0 "[ . 1 . 2]" 1
1493 1 62 VAL H 1 63 ASN HB2 . . 5.500 4.768 4.591 4.926 . 0 0 "[ . 1 . 2]" 1
1494 1 62 VAL H 1 63 ASN HB3 . . 5.090 4.709 4.516 4.848 . 0 0 "[ . 1 . 2]" 1
1495 1 62 VAL H 1 64 ILE H . . 5.360 4.548 4.329 4.707 . 0 0 "[ . 1 . 2]" 1
1496 1 62 VAL H 1 92 VAL QG . . 4.710 3.701 3.400 4.238 . 0 0 "[ . 1 . 2]" 1
1497 1 62 VAL HA 1 62 VAL MG1 . . 3.180 2.509 2.382 2.708 . 0 0 "[ . 1 . 2]" 1
1498 1 62 VAL HA 1 62 VAL MG2 . . 3.470 2.429 2.297 2.613 . 0 0 "[ . 1 . 2]" 1
1499 1 62 VAL HA 1 64 ILE H . . 5.500 4.876 4.683 5.044 . 0 0 "[ . 1 . 2]" 1
1500 1 62 VAL HA 1 65 THR H . . 4.590 3.813 3.643 3.992 . 0 0 "[ . 1 . 2]" 1
1501 1 62 VAL HA 1 65 THR HB . . 3.980 2.901 2.677 3.199 . 0 0 "[ . 1 . 2]" 1
1502 1 62 VAL HA 1 65 THR HG1 . . 5.000 3.641 3.356 3.855 . 0 0 "[ . 1 . 2]" 1
1503 1 62 VAL HA 1 65 THR MG . . 4.430 4.169 3.741 4.539 0.109 20 0 "[ . 1 . 2]" 1
1504 1 62 VAL HA 1 66 ILE H . . 4.710 3.767 3.495 4.087 . 0 0 "[ . 1 . 2]" 1
1505 1 62 VAL HA 1 66 ILE MD . . 5.070 3.788 3.352 4.227 . 0 0 "[ . 1 . 2]" 1
1506 1 62 VAL HA 1 66 ILE HG13 . . 5.500 3.982 3.277 4.875 . 0 0 "[ . 1 . 2]" 1
1507 1 62 VAL HA 1 92 VAL QG . . 2.950 2.024 1.882 2.227 . 0 0 "[ . 1 . 2]" 1
1508 1 62 VAL HA 1 93 GLU H . . 5.250 5.034 4.692 5.315 0.065 18 0 "[ . 1 . 2]" 1
1509 1 62 VAL HB 1 63 ASN H . . 3.440 2.836 2.537 3.076 . 0 0 "[ . 1 . 2]" 1
1510 1 62 VAL MG1 1 63 ASN H . . 3.920 3.562 3.272 3.768 . 0 0 "[ . 1 . 2]" 1
1511 1 62 VAL MG1 1 63 ASN HA . . 3.930 3.607 3.281 3.923 . 0 0 "[ . 1 . 2]" 1
1512 1 62 VAL MG1 1 63 ASN HB3 . . 5.340 5.290 5.010 5.449 0.109 20 0 "[ . 1 . 2]" 1
1513 1 62 VAL MG1 1 64 ILE H . . 5.500 5.426 5.266 5.591 0.091 20 0 "[ . 1 . 2]" 1
1514 1 62 VAL MG1 1 65 THR H . . 5.500 5.214 5.064 5.430 . 0 0 "[ . 1 . 2]" 1
1515 1 62 VAL MG1 1 65 THR HG1 . . 5.500 5.520 5.385 5.612 0.112 15 0 "[ . 1 . 2]" 1
1516 1 62 VAL MG1 1 66 ILE H . . 4.960 4.250 3.971 4.678 . 0 0 "[ . 1 . 2]" 1
1517 1 62 VAL MG1 1 66 ILE MD . . 3.020 2.148 1.986 2.502 . 0 0 "[ . 1 . 2]" 1
1518 1 62 VAL MG1 1 66 ILE HG13 . . 4.360 3.489 2.860 4.038 . 0 0 "[ . 1 . 2]" 1
1519 1 62 VAL MG1 1 89 GLU HA . . 3.930 2.393 2.063 2.923 . 0 0 "[ . 1 . 2]" 1
1520 1 62 VAL MG1 1 89 GLU HB2 . . 5.270 4.362 3.829 4.995 . 0 0 "[ . 1 . 2]" 1
1521 1 62 VAL MG1 1 89 GLU HB3 . . 5.050 3.127 2.399 3.929 . 0 0 "[ . 1 . 2]" 1
1522 1 62 VAL MG1 1 89 GLU HG2 . . 4.210 3.083 2.322 3.847 . 0 0 "[ . 1 . 2]" 1
1523 1 62 VAL MG1 1 89 GLU HG3 . . 4.460 4.292 3.751 4.567 0.107 15 0 "[ . 1 . 2]" 1
1524 1 62 VAL MG1 1 92 VAL H . . 5.500 4.745 4.251 5.471 . 0 0 "[ . 1 . 2]" 1
1525 1 62 VAL MG1 1 93 GLU H . . 4.690 3.941 3.399 4.359 . 0 0 "[ . 1 . 2]" 1
1526 1 62 VAL MG2 1 63 ASN H . . 4.260 4.023 3.845 4.118 . 0 0 "[ . 1 . 2]" 1
1527 1 62 VAL MG2 1 65 THR HB . . 4.950 4.635 4.429 4.883 . 0 0 "[ . 1 . 2]" 1
1528 1 62 VAL MG2 1 66 ILE MD . . 4.040 4.016 3.817 4.171 0.131 9 0 "[ . 1 . 2]" 1
1529 1 62 VAL MG2 1 92 VAL H . . 5.500 4.350 4.095 4.753 . 0 0 "[ . 1 . 2]" 1
1530 1 62 VAL MG2 1 92 VAL QG . . 3.080 2.138 1.965 2.359 . 0 0 "[ . 1 . 2]" 1
1531 1 62 VAL MG2 1 93 GLU H . . 3.810 2.734 2.557 2.908 . 0 0 "[ . 1 . 2]" 1
1532 1 62 VAL MG2 1 93 GLU HA . . 2.780 2.461 2.117 2.760 . 0 0 "[ . 1 . 2]" 1
1533 1 62 VAL MG2 1 93 GLU HB2 . . 4.300 2.662 2.121 3.736 . 0 0 "[ . 1 . 2]" 1
1534 1 62 VAL MG2 1 93 GLU HB3 . . 4.380 3.772 2.966 4.445 0.065 4 0 "[ . 1 . 2]" 1
1535 1 62 VAL MG2 1 94 GLN H . . 5.440 4.844 4.651 5.120 . 0 0 "[ . 1 . 2]" 1
1536 1 62 VAL MG2 1 96 CYS HB3 . . 4.200 3.876 3.228 4.293 0.093 5 0 "[ . 1 . 2]" 1
1537 1 63 ASN H 1 63 ASN HB2 . . 3.100 2.402 2.328 2.520 . 0 0 "[ . 1 . 2]" 1
1538 1 63 ASN H 1 63 ASN HB3 . . 3.020 2.385 2.258 2.499 . 0 0 "[ . 1 . 2]" 1
1539 1 63 ASN H 1 64 ILE H . . 3.690 2.770 2.694 2.834 . 0 0 "[ . 1 . 2]" 1
1540 1 63 ASN H 1 64 ILE HA . . 5.220 5.293 5.272 5.308 0.088 15 0 "[ . 1 . 2]" 1
1541 1 63 ASN H 1 64 ILE HB . . 5.360 4.719 4.530 4.804 . 0 0 "[ . 1 . 2]" 1
1542 1 63 ASN H 1 65 THR H . . 5.500 4.099 3.974 4.335 . 0 0 "[ . 1 . 2]" 1
1543 1 63 ASN H 1 66 ILE MD . . 5.500 5.097 4.843 5.409 . 0 0 "[ . 1 . 2]" 1
1544 1 63 ASN HA 1 63 ASN HD22 . . 4.840 4.801 4.697 4.888 0.048 19 0 "[ . 1 . 2]" 1
1545 1 63 ASN HA 1 65 THR H . . 5.250 4.861 4.702 5.028 . 0 0 "[ . 1 . 2]" 1
1546 1 63 ASN HA 1 66 ILE H . . 4.850 4.335 3.960 4.855 0.005 17 0 "[ . 1 . 2]" 1
1547 1 63 ASN HA 1 66 ILE HB . . 3.930 3.544 3.030 3.968 0.038 20 0 "[ . 1 . 2]" 1
1548 1 63 ASN HA 1 66 ILE MD . . 4.890 4.154 3.790 4.677 . 0 0 "[ . 1 . 2]" 1
1549 1 63 ASN HA 1 66 ILE MG . . 5.360 4.318 3.765 4.855 . 0 0 "[ . 1 . 2]" 1
1550 1 63 ASN HA 1 67 LYS H . . 5.410 4.159 3.865 4.424 . 0 0 "[ . 1 . 2]" 1
1551 1 63 ASN HB2 1 63 ASN HD22 . . 3.890 3.618 3.394 3.870 . 0 0 "[ . 1 . 2]" 1
1552 1 63 ASN HB2 1 64 ILE H . . 3.680 3.680 3.535 3.760 0.080 2 0 "[ . 1 . 2]" 1
1553 1 63 ASN HB3 1 63 ASN HD22 . . 3.850 3.575 3.441 3.700 . 0 0 "[ . 1 . 2]" 1
1554 1 63 ASN HB3 1 64 ILE H . . 3.680 2.212 2.049 2.360 . 0 0 "[ . 1 . 2]" 1
1555 1 63 ASN HB3 1 64 ILE HA . . 4.880 4.253 4.039 4.467 . 0 0 "[ . 1 . 2]" 1
1556 1 63 ASN HB3 1 64 ILE MD . . 5.500 2.607 2.396 2.894 . 0 0 "[ . 1 . 2]" 1
1557 1 63 ASN HB3 1 64 ILE QG . . 4.890 4.583 4.380 4.897 0.007 2 0 "[ . 1 . 2]" 1
1558 1 63 ASN HB3 1 67 LYS HB2 . . 5.500 5.531 5.244 5.583 0.083 3 0 "[ . 1 . 2]" 1
1559 1 63 ASN HB3 1 67 LYS QD . . 5.460 4.434 3.954 5.528 0.068 11 0 "[ . 1 . 2]" 1
1560 1 63 ASN HD21 1 64 ILE MD . . 5.490 3.099 2.480 3.381 . 0 0 "[ . 1 . 2]" 1
1561 1 63 ASN HD21 1 64 ILE QG . . 5.500 5.310 4.645 5.595 0.095 17 0 "[ . 1 . 2]" 1
1562 1 63 ASN HD21 1 67 LYS QD . . 5.500 4.761 4.122 5.532 0.032 11 0 "[ . 1 . 2]" 1
1563 1 63 ASN HD22 1 64 ILE H . . 5.500 5.294 4.799 5.510 0.010 9 0 "[ . 1 . 2]" 1
1564 1 63 ASN HD22 1 64 ILE MD . . 4.930 3.353 2.908 3.563 . 0 0 "[ . 1 . 2]" 1
1565 1 63 ASN HD22 1 64 ILE QG . . 5.500 5.448 4.979 5.591 0.091 14 0 "[ . 1 . 2]" 1
1566 1 64 ILE H 1 64 ILE HB . . 3.150 2.161 2.102 2.216 . 0 0 "[ . 1 . 2]" 1
1567 1 64 ILE H 1 64 ILE MD . . 4.210 2.493 2.351 2.579 . 0 0 "[ . 1 . 2]" 1
1568 1 64 ILE H 1 64 ILE QG . . 3.580 3.612 3.471 3.666 0.086 6 0 "[ . 1 . 2]" 1
1569 1 64 ILE H 1 64 ILE MG . . 3.490 3.546 3.453 3.590 0.100 14 0 "[ . 1 . 2]" 1
1570 1 64 ILE H 1 65 THR H . . 3.310 2.747 2.614 2.872 . 0 0 "[ . 1 . 2]" 1
1571 1 64 ILE H 1 65 THR HG1 . . 5.220 4.425 4.191 5.184 . 0 0 "[ . 1 . 2]" 1
1572 1 64 ILE HA 1 64 ILE MD . . 3.230 2.529 2.348 2.697 . 0 0 "[ . 1 . 2]" 1
1573 1 64 ILE HA 1 64 ILE QG . . 3.880 2.214 2.080 2.331 . 0 0 "[ . 1 . 2]" 1
1574 1 64 ILE HA 1 64 ILE MG . . 3.560 2.811 2.690 2.898 . 0 0 "[ . 1 . 2]" 1
1575 1 64 ILE HA 1 67 LYS H . . 3.950 3.244 3.100 3.417 . 0 0 "[ . 1 . 2]" 1
1576 1 64 ILE HA 1 67 LYS HA . . 5.000 4.955 4.785 5.066 0.066 13 0 "[ . 1 . 2]" 1
1577 1 64 ILE HA 1 67 LYS HB2 . . 3.500 2.073 1.976 2.250 . 0 0 "[ . 1 . 2]" 1
1578 1 64 ILE HA 1 67 LYS HB3 . . 3.540 3.452 2.776 3.602 0.062 8 0 "[ . 1 . 2]" 1
1579 1 64 ILE HA 1 67 LYS QD . . 4.620 3.011 2.655 3.554 . 0 0 "[ . 1 . 2]" 1
1580 1 64 ILE HA 1 67 LYS QE . . 4.220 3.848 2.710 4.320 0.100 18 0 "[ . 1 . 2]" 1
1581 1 64 ILE HA 1 67 LYS HG3 . . 5.270 4.253 3.780 5.086 . 0 0 "[ . 1 . 2]" 1
1582 1 64 ILE HA 1 68 GLN H . . 4.770 4.191 3.892 4.428 . 0 0 "[ . 1 . 2]" 1
1583 1 64 ILE HA 1 68 GLN QE . . 5.500 4.590 2.979 5.613 0.113 15 0 "[ . 1 . 2]" 1
1584 1 64 ILE HB 1 64 ILE MD . . 3.590 2.354 2.249 2.499 . 0 0 "[ . 1 . 2]" 1
1585 1 64 ILE HB 1 65 THR H . . 3.690 3.193 3.009 3.367 . 0 0 "[ . 1 . 2]" 1
1586 1 64 ILE HB 1 65 THR HG1 . . 5.090 4.445 4.121 5.165 0.075 9 0 "[ . 1 . 2]" 1
1587 1 64 ILE HB 1 67 LYS HB2 . . 5.500 5.027 4.900 5.189 . 0 0 "[ . 1 . 2]" 1
1588 1 64 ILE MD 1 67 LYS H . . 5.500 4.965 4.736 5.056 . 0 0 "[ . 1 . 2]" 1
1589 1 64 ILE MD 1 67 LYS HB2 . . 4.830 3.830 3.514 3.978 . 0 0 "[ . 1 . 2]" 1
1590 1 64 ILE MD 1 67 LYS HB3 . . 4.840 4.736 4.299 4.937 0.097 13 0 "[ . 1 . 2]" 1
1591 1 64 ILE MD 1 67 LYS QD . . 4.310 3.031 2.811 3.446 . 0 0 "[ . 1 . 2]" 1
1592 1 64 ILE MD 1 67 LYS QE . . 4.360 3.639 2.636 4.461 0.101 20 0 "[ . 1 . 2]" 1
1593 1 64 ILE MD 1 67 LYS HG2 . . 5.500 5.534 4.890 5.612 0.112 2 0 "[ . 1 . 2]" 1
1594 1 64 ILE MD 1 67 LYS HG3 . . 5.500 5.079 4.738 5.594 0.094 11 0 "[ . 1 . 2]" 1
1595 1 64 ILE QG 1 64 ILE MG . . 3.290 2.072 2.027 2.107 . 0 0 "[ . 1 . 2]" 1
1596 1 64 ILE QG 1 65 THR H . . 5.000 4.734 4.652 4.833 . 0 0 "[ . 1 . 2]" 1
1597 1 64 ILE QG 1 67 LYS HB2 . . 5.020 3.596 3.327 3.779 . 0 0 "[ . 1 . 2]" 1
1598 1 64 ILE QG 1 68 GLN H . . 5.500 5.478 5.145 5.605 0.105 19 0 "[ . 1 . 2]" 1
1599 1 64 ILE QG 1 68 GLN HG2 . . 5.340 4.385 3.591 5.312 . 0 0 "[ . 1 . 2]" 1
1600 1 64 ILE MG 1 65 THR H . . 3.600 2.994 2.878 3.131 . 0 0 "[ . 1 . 2]" 1
1601 1 64 ILE MG 1 65 THR HA . . 4.200 3.198 2.994 3.405 . 0 0 "[ . 1 . 2]" 1
1602 1 64 ILE MG 1 65 THR HB . . 4.750 4.756 4.526 4.835 0.085 11 0 "[ . 1 . 2]" 1
1603 1 64 ILE MG 1 65 THR HG1 . . 4.330 3.743 3.358 4.302 . 0 0 "[ . 1 . 2]" 1
1604 1 64 ILE MG 1 65 THR MG . . 5.500 4.583 4.276 4.763 . 0 0 "[ . 1 . 2]" 1
1605 1 64 ILE MG 1 66 ILE H . . 5.500 4.968 4.741 5.197 . 0 0 "[ . 1 . 2]" 1
1606 1 64 ILE MG 1 68 GLN H . . 5.080 4.198 3.913 4.460 . 0 0 "[ . 1 . 2]" 1
1607 1 64 ILE MG 1 68 GLN HE21 . . 5.500 4.216 2.451 5.481 . 0 0 "[ . 1 . 2]" 1
1608 1 64 ILE MG 1 68 GLN HG2 . . 4.440 2.654 2.233 3.155 . 0 0 "[ . 1 . 2]" 1
1609 1 64 ILE MG 1 68 GLN HG3 . . 4.950 3.439 2.760 4.128 . 0 0 "[ . 1 . 2]" 1
1610 1 65 THR H 1 65 THR HB . . 3.390 2.471 2.298 2.710 . 0 0 "[ . 1 . 2]" 1
1611 1 65 THR H 1 65 THR HG1 . . 3.430 2.205 2.014 2.904 . 0 0 "[ . 1 . 2]" 1
1612 1 65 THR H 1 65 THR MG . . 4.170 3.745 3.666 3.794 . 0 0 "[ . 1 . 2]" 1
1613 1 65 THR H 1 66 ILE H . . 3.670 2.804 2.680 2.926 . 0 0 "[ . 1 . 2]" 1
1614 1 65 THR H 1 66 ILE HB . . 5.070 4.693 4.357 4.906 . 0 0 "[ . 1 . 2]" 1
1615 1 65 THR H 1 67 LYS H . . 4.620 4.203 3.975 4.405 . 0 0 "[ . 1 . 2]" 1
1616 1 65 THR H 1 68 GLN H . . 5.500 4.751 4.644 4.894 . 0 0 "[ . 1 . 2]" 1
1617 1 65 THR H 1 92 VAL QG . . 4.890 3.957 3.651 4.541 . 0 0 "[ . 1 . 2]" 1
1618 1 65 THR HA 1 65 THR MG . . 3.400 2.458 2.396 2.544 . 0 0 "[ . 1 . 2]" 1
1619 1 65 THR HA 1 68 GLN HB3 . . 4.690 4.952 4.389 5.515 0.825 5 7 "[* *+ 1 * -* *]" 1
1620 1 65 THR HA 1 68 GLN HG2 . . 5.290 3.572 2.411 5.004 . 0 0 "[ . 1 . 2]" 1
1621 1 65 THR HA 1 92 VAL QG . . 5.500 4.411 4.178 4.885 . 0 0 "[ . 1 . 2]" 1
1622 1 65 THR HB 1 66 ILE H . . 3.790 2.546 2.344 2.835 . 0 0 "[ . 1 . 2]" 1
1623 1 65 THR HB 1 66 ILE HA . . 5.430 4.553 4.355 4.733 . 0 0 "[ . 1 . 2]" 1
1624 1 65 THR HB 1 66 ILE MD . . 5.420 4.593 4.128 4.967 . 0 0 "[ . 1 . 2]" 1
1625 1 65 THR HB 1 66 ILE HG13 . . 5.400 3.599 3.014 4.285 . 0 0 "[ . 1 . 2]" 1
1626 1 65 THR HB 1 92 VAL QG . . 3.520 2.205 1.953 2.820 . 0 0 "[ . 1 . 2]" 1
1627 1 65 THR HG1 1 66 ILE H . . 4.620 4.117 3.783 4.485 . 0 0 "[ . 1 . 2]" 1
1628 1 65 THR HG1 1 92 VAL QG . . 4.350 3.117 2.567 3.964 . 0 0 "[ . 1 . 2]" 1
1629 1 65 THR MG 1 66 ILE H . . 4.700 3.434 3.109 3.803 . 0 0 "[ . 1 . 2]" 1
1630 1 65 THR MG 1 66 ILE HA . . 4.470 3.817 3.437 4.124 . 0 0 "[ . 1 . 2]" 1
1631 1 65 THR MG 1 66 ILE HG13 . . 4.580 3.661 3.176 4.099 . 0 0 "[ . 1 . 2]" 1
1632 1 65 THR MG 1 68 GLN H . . 5.500 4.691 4.459 4.991 . 0 0 "[ . 1 . 2]" 1
1633 1 65 THR MG 1 69 HIS HB3 . . 5.500 4.542 3.343 5.596 0.096 10 0 "[ . 1 . 2]" 1
1634 1 65 THR MG 1 69 HIS HD2 . . 4.870 4.260 3.550 4.925 0.055 10 0 "[ . 1 . 2]" 1
1635 1 65 THR MG 1 92 VAL QG . . 3.510 2.042 1.845 2.493 . 0 0 "[ . 1 . 2]" 1
1636 1 66 ILE H 1 66 ILE HB . . 3.290 2.240 2.109 2.494 . 0 0 "[ . 1 . 2]" 1
1637 1 66 ILE H 1 66 ILE MD . . 4.080 3.570 3.399 3.780 . 0 0 "[ . 1 . 2]" 1
1638 1 66 ILE H 1 66 ILE HG12 . . 3.920 3.761 3.458 3.994 0.074 16 0 "[ . 1 . 2]" 1
1639 1 66 ILE H 1 66 ILE HG13 . . 3.700 2.523 2.227 2.800 . 0 0 "[ . 1 . 2]" 1
1640 1 66 ILE H 1 66 ILE MG . . 3.860 3.700 3.581 3.839 . 0 0 "[ . 1 . 2]" 1
1641 1 66 ILE H 1 67 LYS H . . 3.540 2.845 2.638 3.070 . 0 0 "[ . 1 . 2]" 1
1642 1 66 ILE H 1 67 LYS HB2 . . 5.490 4.639 4.385 4.886 . 0 0 "[ . 1 . 2]" 1
1643 1 66 ILE H 1 92 VAL QG . . 4.320 3.545 3.233 3.885 . 0 0 "[ . 1 . 2]" 1
1644 1 66 ILE HA 1 66 ILE MD . . 3.960 3.744 3.671 3.822 . 0 0 "[ . 1 . 2]" 1
1645 1 66 ILE HA 1 66 ILE HG12 . . 3.650 2.367 2.152 2.511 . 0 0 "[ . 1 . 2]" 1
1646 1 66 ILE HA 1 66 ILE HG13 . . 4.030 2.633 2.351 2.886 . 0 0 "[ . 1 . 2]" 1
1647 1 66 ILE HA 1 66 ILE MG . . 3.320 2.707 2.532 2.915 . 0 0 "[ . 1 . 2]" 1
1648 1 66 ILE HA 1 68 GLN H . . 5.000 3.929 3.609 4.432 . 0 0 "[ . 1 . 2]" 1
1649 1 66 ILE HA 1 69 HIS H . . 4.380 3.682 3.311 4.247 . 0 0 "[ . 1 . 2]" 1
1650 1 66 ILE HA 1 69 HIS HB3 . . 5.500 4.971 3.204 5.588 0.088 8 0 "[ . 1 . 2]" 1
1651 1 66 ILE HA 1 69 HIS HD2 . . 4.840 2.360 2.035 2.793 . 0 0 "[ . 1 . 2]" 1
1652 1 66 ILE HA 1 70 THR H . . 5.370 3.407 2.714 4.578 . 0 0 "[ . 1 . 2]" 1
1653 1 66 ILE HA 1 88 MET ME . . 3.970 3.898 3.408 4.080 0.110 7 0 "[ . 1 . 2]" 1
1654 1 66 ILE HB 1 66 ILE MD . . 3.360 2.450 2.355 2.598 . 0 0 "[ . 1 . 2]" 1
1655 1 66 ILE HB 1 67 LYS H . . 3.670 2.768 2.473 2.878 . 0 0 "[ . 1 . 2]" 1
1656 1 66 ILE MD 1 66 ILE MG . . 2.730 2.159 2.040 2.274 . 0 0 "[ . 1 . 2]" 1
1657 1 66 ILE MD 1 67 LYS H . . 5.410 4.791 4.499 4.935 . 0 0 "[ . 1 . 2]" 1
1658 1 66 ILE MD 1 70 THR MG . . 4.300 4.383 4.237 4.439 0.139 8 0 "[ . 1 . 2]" 1
1659 1 66 ILE MD 1 85 VAL HA . . 4.950 4.020 3.511 4.486 . 0 0 "[ . 1 . 2]" 1
1660 1 66 ILE MD 1 85 VAL MG1 . . 2.400 2.266 2.022 2.489 0.089 3 0 "[ . 1 . 2]" 1
1661 1 66 ILE MD 1 85 VAL MG2 . . 4.290 3.743 3.036 4.186 . 0 0 "[ . 1 . 2]" 1
1662 1 66 ILE MD 1 88 MET HB2 . . 5.080 3.533 2.635 5.184 0.104 7 0 "[ . 1 . 2]" 1
1663 1 66 ILE MD 1 88 MET HB3 . . 4.790 3.248 2.526 4.175 . 0 0 "[ . 1 . 2]" 1
1664 1 66 ILE MD 1 88 MET ME . . 3.700 3.532 2.993 3.828 0.128 11 0 "[ . 1 . 2]" 1
1665 1 66 ILE MD 1 89 GLU H . . 4.240 3.250 2.878 3.987 . 0 0 "[ . 1 . 2]" 1
1666 1 66 ILE MD 1 89 GLU HA . . 3.110 2.403 2.041 2.835 . 0 0 "[ . 1 . 2]" 1
1667 1 66 ILE MD 1 89 GLU HB2 . . 4.860 4.255 4.007 4.509 . 0 0 "[ . 1 . 2]" 1
1668 1 66 ILE MD 1 89 GLU HB3 . . 4.750 3.972 3.400 4.246 . 0 0 "[ . 1 . 2]" 1
1669 1 66 ILE MD 1 89 GLU HG2 . . 3.380 2.251 2.030 2.640 . 0 0 "[ . 1 . 2]" 1
1670 1 66 ILE MD 1 89 GLU HG3 . . 4.020 3.218 2.561 3.653 . 0 0 "[ . 1 . 2]" 1
1671 1 66 ILE MD 1 90 ARG H . . 5.270 5.140 4.752 5.373 0.103 18 0 "[ . 1 . 2]" 1
1672 1 66 ILE MD 1 91 VAL QG . . 5.500 5.163 4.526 5.424 . 0 0 "[ . 1 . 2]" 1
1673 1 66 ILE MD 1 92 VAL H . . 5.010 4.831 4.037 5.108 0.098 15 0 "[ . 1 . 2]" 1
1674 1 66 ILE MD 1 92 VAL HB . . 4.440 4.102 3.682 4.565 0.125 7 0 "[ . 1 . 2]" 1
1675 1 66 ILE MD 1 92 VAL QG . . 3.640 3.072 2.241 3.514 . 0 0 "[ . 1 . 2]" 1
1676 1 66 ILE MD 1 93 GLU H . . 5.450 5.285 4.724 5.542 0.092 19 0 "[ . 1 . 2]" 1
1677 1 66 ILE HG12 1 67 LYS H . . 5.130 5.126 5.009 5.202 0.072 9 0 "[ . 1 . 2]" 1
1678 1 66 ILE HG12 1 88 MET ME . . 3.310 2.902 2.099 3.373 0.063 11 0 "[ . 1 . 2]" 1
1679 1 66 ILE HG12 1 92 VAL QG . . 4.400 3.686 3.027 4.344 . 0 0 "[ . 1 . 2]" 1
1680 1 66 ILE HG13 1 66 ILE MG . . 3.670 3.235 3.191 3.296 . 0 0 "[ . 1 . 2]" 1
1681 1 66 ILE HG13 1 85 VAL MG1 . . 4.650 4.672 4.281 4.761 0.111 20 0 "[ . 1 . 2]" 1
1682 1 66 ILE HG13 1 92 VAL QG . . 3.880 2.798 2.301 3.256 . 0 0 "[ . 1 . 2]" 1
1683 1 66 ILE MG 1 67 LYS H . . 3.960 3.028 2.582 3.425 . 0 0 "[ . 1 . 2]" 1
1684 1 66 ILE MG 1 67 LYS HA . . 4.320 3.365 3.063 3.743 . 0 0 "[ . 1 . 2]" 1
1685 1 66 ILE MG 1 67 LYS HB2 . . 5.200 4.605 4.024 5.020 . 0 0 "[ . 1 . 2]" 1
1686 1 66 ILE MG 1 67 LYS HG2 . . 5.500 4.403 3.808 5.577 0.077 6 0 "[ . 1 . 2]" 1
1687 1 66 ILE MG 1 68 GLN H . . 5.500 4.737 4.500 5.108 . 0 0 "[ . 1 . 2]" 1
1688 1 66 ILE MG 1 69 HIS H . . 5.500 4.996 4.447 5.583 0.083 14 0 "[ . 1 . 2]" 1
1689 1 66 ILE MG 1 70 THR H . . 5.500 3.914 3.672 4.534 . 0 0 "[ . 1 . 2]" 1
1690 1 66 ILE MG 1 70 THR HB . . 5.350 2.361 2.096 2.828 . 0 0 "[ . 1 . 2]" 1
1691 1 66 ILE MG 1 70 THR MG . . 3.550 2.367 2.129 2.758 . 0 0 "[ . 1 . 2]" 1
1692 1 66 ILE MG 1 88 MET ME . . 3.890 3.379 2.781 3.998 0.108 9 0 "[ . 1 . 2]" 1
1693 1 67 LYS H 1 67 LYS HB2 . . 3.240 2.169 2.035 2.239 . 0 0 "[ . 1 . 2]" 1
1694 1 67 LYS H 1 67 LYS HB3 . . 3.350 3.424 3.245 3.442 0.092 9 0 "[ . 1 . 2]" 1
1695 1 67 LYS H 1 67 LYS QD . . 4.910 3.565 3.145 4.344 . 0 0 "[ . 1 . 2]" 1
1696 1 67 LYS H 1 67 LYS QE . . 5.060 4.435 2.619 4.931 . 0 0 "[ . 1 . 2]" 1
1697 1 67 LYS H 1 67 LYS HG2 . . 4.810 3.821 3.573 4.590 . 0 0 "[ . 1 . 2]" 1
1698 1 67 LYS H 1 67 LYS HG3 . . 4.300 2.619 2.325 3.884 . 0 0 "[ . 1 . 2]" 1
1699 1 67 LYS H 1 68 GLN H . . 3.750 2.973 2.853 3.101 . 0 0 "[ . 1 . 2]" 1
1700 1 67 LYS H 1 70 THR HB . . 5.370 4.576 4.079 4.883 . 0 0 "[ . 1 . 2]" 1
1701 1 67 LYS H 1 71 VAL MG2 . . 5.500 4.266 4.000 4.563 . 0 0 "[ . 1 . 2]" 1
1702 1 67 LYS HA 1 67 LYS QD . . 3.890 3.956 3.840 3.991 0.101 20 0 "[ . 1 . 2]" 1
1703 1 67 LYS HA 1 67 LYS QE . . 4.240 4.058 2.702 4.324 0.084 9 0 "[ . 1 . 2]" 1
1704 1 67 LYS HA 1 67 LYS HG2 . . 3.870 2.451 2.208 3.193 . 0 0 "[ . 1 . 2]" 1
1705 1 67 LYS HA 1 67 LYS HG3 . . 3.780 2.507 2.030 2.764 . 0 0 "[ . 1 . 2]" 1
1706 1 67 LYS HA 1 70 THR H . . 4.360 4.015 3.485 4.432 0.072 5 0 "[ . 1 . 2]" 1
1707 1 67 LYS HA 1 70 THR HB . . 3.960 3.471 2.436 3.995 0.035 1 0 "[ . 1 . 2]" 1
1708 1 67 LYS HA 1 70 THR MG . . 5.180 4.474 3.636 5.150 . 0 0 "[ . 1 . 2]" 1
1709 1 67 LYS HA 1 71 VAL MG2 . . 4.860 2.080 1.945 2.203 . 0 0 "[ . 1 . 2]" 1
1710 1 67 LYS HB2 1 67 LYS QE . . 4.850 2.985 2.388 3.713 . 0 0 "[ . 1 . 2]" 1
1711 1 67 LYS HB2 1 68 GLN H . . 3.850 3.427 3.057 3.920 0.070 11 0 "[ . 1 . 2]" 1
1712 1 67 LYS HB3 1 67 LYS QE . . 3.770 2.583 2.043 3.868 0.098 3 0 "[ . 1 . 2]" 1
1713 1 67 LYS HB3 1 68 GLN H . . 3.920 3.847 3.322 3.997 0.077 10 0 "[ . 1 . 2]" 1
1714 1 67 LYS HB3 1 71 VAL MG1 . . 4.920 4.617 4.282 5.009 0.089 11 0 "[ . 1 . 2]" 1
1715 1 67 LYS QD 1 67 LYS HG3 . . 2.760 2.199 2.111 2.504 . 0 0 "[ . 1 . 2]" 1
1716 1 67 LYS QE 1 71 VAL MG1 . . 5.270 4.686 4.046 5.363 0.093 18 0 "[ . 1 . 2]" 1
1717 1 67 LYS QE 1 71 VAL MG2 . . 4.520 3.776 2.834 4.620 0.100 15 0 "[ . 1 . 2]" 1
1718 1 67 LYS HG2 1 68 GLN H . . 5.410 5.338 5.153 5.465 0.055 19 0 "[ . 1 . 2]" 1
1719 1 67 LYS HG2 1 71 VAL H . . 5.500 5.186 4.505 5.579 0.079 6 0 "[ . 1 . 2]" 1
1720 1 67 LYS HG2 1 71 VAL MG2 . . 3.910 2.525 2.248 3.614 . 0 0 "[ . 1 . 2]" 1
1721 1 67 LYS HG3 1 68 GLN H . . 5.140 4.936 4.792 5.191 0.051 20 0 "[ . 1 . 2]" 1
1722 1 67 LYS HG3 1 71 VAL MG2 . . 3.670 3.284 2.155 3.761 0.091 10 0 "[ . 1 . 2]" 1
1723 1 68 GLN H 1 68 GLN HB2 . . 3.740 2.688 2.311 3.027 . 0 0 "[ . 1 . 2]" 1
1724 1 68 GLN H 1 68 GLN HB3 . . 3.820 3.731 3.583 3.827 0.007 5 0 "[ . 1 . 2]" 1
1725 1 68 GLN H 1 68 GLN HE21 . . 5.000 3.939 2.629 4.778 . 0 0 "[ . 1 . 2]" 1
1726 1 68 GLN H 1 68 GLN HE22 . . 5.500 4.760 4.023 5.569 0.069 4 0 "[ . 1 . 2]" 1
1727 1 68 GLN H 1 68 GLN HG2 . . 3.840 2.862 2.649 3.070 . 0 0 "[ . 1 . 2]" 1
1728 1 68 GLN H 1 68 GLN HG3 . . 4.190 4.170 4.017 4.267 0.077 5 0 "[ . 1 . 2]" 1
1729 1 68 GLN H 1 69 HIS H . . 3.760 2.804 2.347 3.269 . 0 0 "[ . 1 . 2]" 1
1730 1 68 GLN H 1 69 HIS HD2 . . 4.930 4.828 4.065 5.021 0.091 20 0 "[ . 1 . 2]" 1
1731 1 68 GLN H 1 70 THR H . . 4.610 3.862 3.515 4.330 . 0 0 "[ . 1 . 2]" 1
1732 1 68 GLN H 1 70 THR HB . . 5.500 5.003 4.502 5.539 0.039 1 0 "[ . 1 . 2]" 1
1733 1 68 GLN H 1 71 VAL MG2 . . 5.500 4.790 4.561 5.221 . 0 0 "[ . 1 . 2]" 1
1734 1 68 GLN HA 1 68 GLN HE21 . . 5.170 2.918 1.895 4.447 . 0 0 "[ . 1 . 2]" 1
1735 1 68 GLN HA 1 68 GLN QE . . 4.540 2.694 1.860 4.004 . 0 0 "[ . 1 . 2]" 1
1736 1 68 GLN HA 1 68 GLN HE22 . . 5.150 3.285 2.681 4.546 . 0 0 "[ . 1 . 2]" 1
1737 1 68 GLN HA 1 68 GLN HG2 . . 3.620 3.460 2.988 3.672 0.052 3 0 "[ . 1 . 2]" 1
1738 1 68 GLN HA 1 69 HIS HA . . 4.740 4.239 3.887 4.640 . 0 0 "[ . 1 . 2]" 1
1739 1 68 GLN HA 1 71 VAL H . . 4.170 4.155 3.874 4.262 0.092 3 0 "[ . 1 . 2]" 1
1740 1 68 GLN HA 1 72 THR MG . . 3.980 2.427 1.873 3.501 . 0 0 "[ . 1 . 2]" 1
1741 1 68 GLN HB2 1 68 GLN HE21 . . 4.650 4.042 3.641 4.593 . 0 0 "[ . 1 . 2]" 1
1742 1 68 GLN HB2 1 68 GLN QE . . 4.360 3.885 3.551 4.321 . 0 0 "[ . 1 . 2]" 1
1743 1 68 GLN HB2 1 68 GLN HE22 . . 5.190 5.061 4.821 5.325 0.135 4 0 "[ . 1 . 2]" 1
1744 1 68 GLN HB2 1 69 HIS H . . 4.420 3.197 2.053 4.276 . 0 0 "[ . 1 . 2]" 1
1745 1 68 GLN HB2 1 69 HIS HA . . 5.500 4.849 4.299 5.395 . 0 0 "[ . 1 . 2]" 1
1746 1 68 GLN HB3 1 68 GLN QE . . 4.330 3.350 2.221 4.234 . 0 0 "[ . 1 . 2]" 1
1747 1 68 GLN HB3 1 68 GLN HE22 . . 5.480 4.377 3.843 4.957 . 0 0 "[ . 1 . 2]" 1
1748 1 68 GLN HB3 1 69 HIS H . . 4.260 3.784 2.722 4.498 0.238 1 0 "[ . 1 . 2]" 1
1749 1 68 GLN HB3 1 72 THR MG . . 3.810 3.320 2.560 3.913 0.103 8 0 "[ . 1 . 2]" 1
1750 1 68 GLN QE 1 72 THR MG . . 4.260 3.325 2.004 4.357 0.097 14 0 "[ . 1 . 2]" 1
1751 1 68 GLN HE21 1 71 VAL HB . . 5.500 5.214 4.116 5.571 0.071 14 0 "[ . 1 . 2]" 1
1752 1 68 GLN HE21 1 72 THR MG . . 5.500 3.885 2.092 5.248 . 0 0 "[ . 1 . 2]" 1
1753 1 68 GLN HE22 1 71 VAL HB . . 5.500 4.779 4.297 5.192 . 0 0 "[ . 1 . 2]" 1
1754 1 68 GLN HE22 1 71 VAL MG1 . . 5.500 5.174 4.656 5.599 0.099 17 0 "[ . 1 . 2]" 1
1755 1 68 GLN HE22 1 71 VAL MG2 . . 5.500 5.493 5.071 5.608 0.108 11 0 "[ . 1 . 2]" 1
1756 1 68 GLN HE22 1 72 THR MG . . 5.500 3.789 2.419 5.344 . 0 0 "[ . 1 . 2]" 1
1757 1 68 GLN HG2 1 69 HIS H . . 5.220 4.745 4.149 5.146 . 0 0 "[ . 1 . 2]" 1
1758 1 69 HIS H 1 69 HIS HB3 . . 3.420 2.856 2.183 3.376 . 0 0 "[ . 1 . 2]" 1
1759 1 69 HIS H 1 69 HIS HD2 . . 4.060 3.185 2.645 3.824 . 0 0 "[ . 1 . 2]" 1
1760 1 69 HIS H 1 70 THR H . . 3.720 2.318 1.638 3.037 . 0 0 "[ . 1 . 2]" 1
1761 1 69 HIS H 1 70 THR HB . . 5.330 4.397 3.767 5.193 . 0 0 "[ . 1 . 2]" 1
1762 1 69 HIS H 1 72 THR MG . . 5.500 4.203 3.242 5.063 . 0 0 "[ . 1 . 2]" 1
1763 1 69 HIS HA 1 71 VAL H . . 5.500 4.510 3.716 5.159 . 0 0 "[ . 1 . 2]" 1
1764 1 69 HIS HA 1 72 THR H . . 4.720 3.614 3.095 4.167 . 0 0 "[ . 1 . 2]" 1
1765 1 69 HIS HA 1 72 THR MG . . 5.170 3.682 2.020 4.607 . 0 0 "[ . 1 . 2]" 1
1766 1 69 HIS HA 1 73 THR H . . 5.370 5.323 5.008 5.457 0.087 18 0 "[ . 1 . 2]" 1
1767 1 69 HIS QB 1 69 HIS HD2 . . 3.390 3.003 2.456 3.281 . 0 0 "[ . 1 . 2]" 1
1768 1 69 HIS HB2 1 70 THR H . . 5.050 4.364 3.960 4.626 . 0 0 "[ . 1 . 2]" 1
1769 1 69 HIS HD2 1 70 THR H . . 4.430 2.815 2.259 3.993 . 0 0 "[ . 1 . 2]" 1
1770 1 69 HIS HD2 1 70 THR HA . . 4.720 4.174 3.900 4.502 . 0 0 "[ . 1 . 2]" 1
1771 1 69 HIS HD2 1 70 THR MG . . 4.420 4.506 4.417 4.535 0.115 14 0 "[ . 1 . 2]" 1
1772 1 69 HIS HD2 1 88 MET ME . . 3.350 3.240 2.423 3.461 0.111 1 0 "[ . 1 . 2]" 1
1773 1 70 THR H 1 70 THR HB . . 3.560 2.451 2.297 2.620 . 0 0 "[ . 1 . 2]" 1
1774 1 70 THR H 1 70 THR MG . . 4.280 3.741 3.656 3.895 . 0 0 "[ . 1 . 2]" 1
1775 1 70 THR H 1 71 VAL H . . 3.460 2.375 2.153 2.708 . 0 0 "[ . 1 . 2]" 1
1776 1 70 THR H 1 71 VAL HB . . 5.500 4.681 4.296 5.132 . 0 0 "[ . 1 . 2]" 1
1777 1 70 THR H 1 71 VAL MG2 . . 4.370 3.889 3.355 4.329 . 0 0 "[ . 1 . 2]" 1
1778 1 70 THR H 1 72 THR H . . 3.550 3.527 2.986 3.636 0.086 3 0 "[ . 1 . 2]" 1
1779 1 70 THR HA 1 70 THR MG . . 3.490 2.454 2.319 2.633 . 0 0 "[ . 1 . 2]" 1
1780 1 70 THR HA 1 71 VAL HA . . 4.660 4.575 4.462 4.644 . 0 0 "[ . 1 . 2]" 1
1781 1 70 THR HA 1 71 VAL MG2 . . 5.210 4.609 4.150 4.873 . 0 0 "[ . 1 . 2]" 1
1782 1 70 THR HA 1 72 THR H . . 4.690 4.394 4.133 4.641 . 0 0 "[ . 1 . 2]" 1
1783 1 70 THR HA 1 74 THR HB . . 3.360 3.402 3.223 3.445 0.085 12 0 "[ . 1 . 2]" 1
1784 1 70 THR HA 1 80 PHE QD . . 3.800 2.690 2.046 3.899 0.099 16 0 "[ . 1 . 2]" 1
1785 1 70 THR HA 1 88 MET ME . . 5.370 3.993 3.199 4.553 . 0 0 "[ . 1 . 2]" 1
1786 1 70 THR HB 1 71 VAL H . . 3.650 2.799 2.257 3.575 . 0 0 "[ . 1 . 2]" 1
1787 1 70 THR HB 1 71 VAL MG2 . . 4.360 2.891 2.519 3.517 . 0 0 "[ . 1 . 2]" 1
1788 1 70 THR MG 1 71 VAL H . . 4.330 3.678 3.184 4.200 . 0 0 "[ . 1 . 2]" 1
1789 1 70 THR MG 1 71 VAL MG2 . . 2.970 3.053 2.680 3.114 0.144 2 0 "[ . 1 . 2]" 1
1790 1 70 THR MG 1 80 PHE H . . 5.200 4.163 3.728 4.818 . 0 0 "[ . 1 . 2]" 1
1791 1 70 THR MG 1 80 PHE QD . . 3.730 3.335 2.486 3.830 0.100 2 0 "[ . 1 . 2]" 1
1792 1 70 THR MG 1 85 VAL MG2 . . 3.990 2.562 1.986 3.428 . 0 0 "[ . 1 . 2]" 1
1793 1 71 VAL H 1 71 VAL HB . . 3.180 2.556 2.408 2.733 . 0 0 "[ . 1 . 2]" 1
1794 1 71 VAL H 1 71 VAL MG1 . . 3.890 3.830 3.748 3.936 0.046 17 0 "[ . 1 . 2]" 1
1795 1 71 VAL H 1 71 VAL MG2 . . 2.990 2.328 2.067 2.827 . 0 0 "[ . 1 . 2]" 1
1796 1 71 VAL H 1 72 THR H . . 3.370 2.320 1.827 2.671 . 0 0 "[ . 1 . 2]" 1
1797 1 71 VAL HA 1 71 VAL MG1 . . 3.020 2.400 2.321 2.487 . 0 0 "[ . 1 . 2]" 1
1798 1 71 VAL HA 1 71 VAL MG2 . . 2.850 2.414 2.314 2.526 . 0 0 "[ . 1 . 2]" 1
1799 1 71 VAL HA 1 72 THR H . . 3.370 3.441 3.400 3.455 0.085 12 0 "[ . 1 . 2]" 1
1800 1 71 VAL HA 1 72 THR HA . . 4.620 4.660 4.583 4.706 0.086 11 0 "[ . 1 . 2]" 1
1801 1 71 VAL HA 1 73 THR H . . 4.720 3.504 3.238 3.752 . 0 0 "[ . 1 . 2]" 1
1802 1 71 VAL HA 1 74 THR H . . 4.430 3.637 3.336 4.092 . 0 0 "[ . 1 . 2]" 1
1803 1 71 VAL HA 1 74 THR HB . . 3.990 3.749 3.358 3.954 . 0 0 "[ . 1 . 2]" 1
1804 1 71 VAL HA 1 74 THR MG . . 4.140 2.290 1.971 3.415 . 0 0 "[ . 1 . 2]" 1
1805 1 71 VAL HA 1 75 THR H . . 5.270 4.161 3.422 4.823 . 0 0 "[ . 1 . 2]" 1
1806 1 71 VAL HB 1 72 THR H . . 3.390 3.183 2.767 3.465 0.075 15 0 "[ . 1 . 2]" 1
1807 1 71 VAL HB 1 72 THR HA . . 5.100 4.654 4.246 4.974 . 0 0 "[ . 1 . 2]" 1
1808 1 71 VAL HB 1 72 THR MG . . 4.760 3.573 2.710 4.808 0.048 18 0 "[ . 1 . 2]" 1
1809 1 71 VAL HB 1 73 THR H . . 5.390 5.207 5.016 5.462 0.072 17 0 "[ . 1 . 2]" 1
1810 1 71 VAL MG1 1 72 THR H . . 4.110 3.941 3.612 4.203 0.093 17 0 "[ . 1 . 2]" 1
1811 1 71 VAL MG1 1 72 THR HA . . 4.280 3.981 3.485 4.330 0.050 17 0 "[ . 1 . 2]" 1
1812 1 71 VAL MG1 1 73 THR H . . 4.960 4.551 4.335 4.918 . 0 0 "[ . 1 . 2]" 1
1813 1 71 VAL MG1 1 74 THR HB . . 5.500 5.440 5.123 5.600 0.100 8 0 "[ . 1 . 2]" 1
1814 1 71 VAL MG1 1 75 THR H . . 5.500 4.788 4.248 5.455 . 0 0 "[ . 1 . 2]" 1
1815 1 71 VAL MG1 1 75 THR HB . . 5.190 4.014 2.996 4.776 . 0 0 "[ . 1 . 2]" 1
1816 1 71 VAL MG2 1 72 THR H . . 4.090 4.030 3.818 4.138 0.048 16 0 "[ . 1 . 2]" 1
1817 1 72 THR H 1 72 THR MG . . 3.390 2.470 2.007 2.805 . 0 0 "[ . 1 . 2]" 1
1818 1 72 THR H 1 73 THR H . . 3.020 3.005 2.825 3.094 0.074 7 0 "[ . 1 . 2]" 1
1819 1 72 THR H 1 74 THR HB . . 5.500 5.460 5.052 5.575 0.075 7 0 "[ . 1 . 2]" 1
1820 1 72 THR HA 1 76 LYS QE . . 4.570 3.041 2.263 4.642 0.072 19 0 "[ . 1 . 2]" 1
1821 1 72 THR HB 1 76 LYS QE . . 5.300 3.483 2.681 4.817 . 0 0 "[ . 1 . 2]" 1
1822 1 73 THR H 1 73 THR HB . . 3.860 3.647 3.361 3.880 0.020 13 0 "[ . 1 . 2]" 1
1823 1 73 THR H 1 74 THR H . . 3.010 2.032 1.787 2.276 . 0 0 "[ . 1 . 2]" 1
1824 1 73 THR H 1 74 THR HB . . 4.680 3.940 3.729 4.201 . 0 0 "[ . 1 . 2]" 1
1825 1 73 THR H 1 76 LYS H . . 3.490 3.580 3.565 3.590 0.100 18 0 "[ . 1 . 2]" 1
1826 1 73 THR H 1 78 GLU QB . . 5.500 4.442 4.297 4.803 . 0 0 "[ . 1 . 2]" 1
1827 1 73 THR HA 1 73 THR MG . . 3.330 2.236 2.082 2.403 . 0 0 "[ . 1 . 2]" 1
1828 1 73 THR HA 1 74 THR H . . 3.550 3.577 3.522 3.622 0.072 7 0 "[ . 1 . 2]" 1
1829 1 73 THR HA 1 76 LYS H . . 3.350 2.906 2.460 3.264 . 0 0 "[ . 1 . 2]" 1
1830 1 73 THR HA 1 76 LYS HB2 . . 3.950 2.171 2.013 2.472 . 0 0 "[ . 1 . 2]" 1
1831 1 73 THR HA 1 76 LYS HB3 . . 4.420 3.897 3.724 4.177 . 0 0 "[ . 1 . 2]" 1
1832 1 73 THR HA 1 76 LYS HG2 . . 4.550 4.573 4.199 4.641 0.091 3 0 "[ . 1 . 2]" 1
1833 1 73 THR HA 1 76 LYS HG3 . . 4.540 3.196 2.623 3.430 . 0 0 "[ . 1 . 2]" 1
1834 1 73 THR HA 1 78 GLU H . . 4.390 3.726 3.425 4.109 . 0 0 "[ . 1 . 2]" 1
1835 1 73 THR HA 1 78 GLU QB . . 4.060 3.323 2.968 3.663 . 0 0 "[ . 1 . 2]" 1
1836 1 73 THR HB 1 74 THR H . . 3.710 2.941 2.393 3.278 . 0 0 "[ . 1 . 2]" 1
1837 1 73 THR HB 1 74 THR HA . . 4.010 4.021 3.890 4.087 0.077 1 0 "[ . 1 . 2]" 1
1838 1 73 THR HB 1 78 GLU H . . 5.250 3.931 3.484 4.310 . 0 0 "[ . 1 . 2]" 1
1839 1 73 THR HB 1 78 GLU QB . . 3.690 1.994 1.836 2.162 . 0 0 "[ . 1 . 2]" 1
1840 1 73 THR HB 1 78 GLU QG . . 4.330 2.778 2.309 3.690 . 0 0 "[ . 1 . 2]" 1
1841 1 73 THR HB 1 79 ASN H . . 4.500 4.582 4.499 4.608 0.108 2 0 "[ . 1 . 2]" 1
1842 1 73 THR HB 1 80 PHE QE . . 5.300 3.462 2.308 4.492 . 0 0 "[ . 1 . 2]" 1
1843 1 73 THR MG 1 74 THR H . . 4.250 4.043 3.733 4.259 0.009 4 0 "[ . 1 . 2]" 1
1844 1 73 THR MG 1 74 THR HA . . 5.390 5.018 4.661 5.347 . 0 0 "[ . 1 . 2]" 1
1845 1 73 THR MG 1 75 THR H . . 5.150 5.119 4.680 5.253 0.103 19 0 "[ . 1 . 2]" 1
1846 1 73 THR MG 1 76 LYS H . . 5.500 4.444 3.729 5.045 . 0 0 "[ . 1 . 2]" 1
1847 1 73 THR MG 1 76 LYS QD . . 5.500 5.074 4.471 5.504 0.004 11 0 "[ . 1 . 2]" 1
1848 1 73 THR MG 1 76 LYS QE . . 5.500 3.503 2.636 4.267 . 0 0 "[ . 1 . 2]" 1
1849 1 73 THR MG 1 78 GLU H . . 4.920 3.786 2.400 4.846 . 0 0 "[ . 1 . 2]" 1
1850 1 73 THR MG 1 78 GLU HA . . 5.500 4.882 4.135 5.602 0.102 13 0 "[ . 1 . 2]" 1
1851 1 73 THR MG 1 78 GLU QB . . 3.570 2.565 2.008 3.209 . 0 0 "[ . 1 . 2]" 1
1852 1 73 THR MG 1 80 PHE QE . . 4.600 3.538 2.417 4.683 0.083 7 0 "[ . 1 . 2]" 1
1853 1 74 THR H 1 74 THR HB . . 3.020 2.101 1.954 2.235 . 0 0 "[ . 1 . 2]" 1
1854 1 74 THR H 1 74 THR MG . . 3.380 2.797 2.437 3.461 0.081 2 0 "[ . 1 . 2]" 1
1855 1 74 THR H 1 75 THR H . . 3.330 2.876 2.766 3.029 . 0 0 "[ . 1 . 2]" 1
1856 1 74 THR H 1 76 LYS H . . 4.420 3.937 3.813 4.112 . 0 0 "[ . 1 . 2]" 1
1857 1 74 THR H 1 76 LYS QE . . 5.500 5.578 5.348 5.607 0.107 16 0 "[ . 1 . 2]" 1
1858 1 74 THR H 1 78 GLU QB . . 5.410 3.257 2.972 3.666 . 0 0 "[ . 1 . 2]" 1
1859 1 74 THR H 1 78 GLU QG . . 5.320 4.665 4.282 5.128 . 0 0 "[ . 1 . 2]" 1
1860 1 74 THR H 1 79 ASN H . . 5.070 5.140 5.086 5.158 0.088 13 0 "[ . 1 . 2]" 1
1861 1 74 THR H 1 80 PHE QD . . 4.750 3.964 3.074 4.674 . 0 0 "[ . 1 . 2]" 1
1862 1 74 THR HA 1 74 THR MG . . 3.280 3.181 2.972 3.244 . 0 0 "[ . 1 . 2]" 1
1863 1 74 THR HA 1 75 THR H . . 3.480 3.422 3.308 3.517 0.037 8 0 "[ . 1 . 2]" 1
1864 1 74 THR HA 1 78 GLU H . . 4.060 3.474 2.966 4.118 0.058 20 0 "[ . 1 . 2]" 1
1865 1 74 THR HA 1 78 GLU QB . . 4.650 2.616 2.223 3.105 . 0 0 "[ . 1 . 2]" 1
1866 1 74 THR HB 1 78 GLU QG . . 5.000 4.971 4.591 5.100 0.100 7 0 "[ . 1 . 2]" 1
1867 1 74 THR HB 1 79 ASN H . . 4.890 4.677 4.451 4.980 0.090 8 0 "[ . 1 . 2]" 1
1868 1 74 THR MG 1 78 GLU QB . . 5.160 4.743 4.311 5.237 0.077 13 0 "[ . 1 . 2]" 1
1869 1 74 THR MG 1 79 ASN H . . 5.500 5.491 4.790 5.617 0.117 18 0 "[ . 1 . 2]" 1
1870 1 74 THR MG 1 79 ASN HA . . 5.260 3.995 3.051 4.355 . 0 0 "[ . 1 . 2]" 1
1871 1 74 THR MG 1 79 ASN HD21 . . 5.500 5.139 4.087 5.614 0.114 9 0 "[ . 1 . 2]" 1
1872 1 74 THR MG 1 79 ASN HD22 . . 5.500 5.410 5.119 5.593 0.093 3 0 "[ . 1 . 2]" 1
1873 1 74 THR MG 1 80 PHE H . . 5.500 4.567 4.003 5.339 . 0 0 "[ . 1 . 2]" 1
1874 1 75 THR H 1 75 THR HB . . 3.050 2.674 2.290 2.960 . 0 0 "[ . 1 . 2]" 1
1875 1 75 THR H 1 75 THR MG . . 3.150 2.220 1.965 2.965 . 0 0 "[ . 1 . 2]" 1
1876 1 75 THR H 1 76 LYS H . . 3.180 2.114 1.805 2.437 . 0 0 "[ . 1 . 2]" 1
1877 1 75 THR H 1 76 LYS HB2 . . 5.500 4.363 4.043 4.727 . 0 0 "[ . 1 . 2]" 1
1878 1 75 THR H 1 78 GLU H . . 4.850 4.641 4.230 4.904 0.054 18 0 "[ . 1 . 2]" 1
1879 1 75 THR H 1 78 GLU QB . . 5.160 4.648 4.449 4.864 . 0 0 "[ . 1 . 2]" 1
1880 1 75 THR HA 1 77 GLY H . . 4.020 3.969 3.605 4.095 0.075 3 0 "[ . 1 . 2]" 1
1881 1 75 THR HB 1 76 LYS HG2 . . 5.230 5.158 4.832 5.294 0.064 19 0 "[ . 1 . 2]" 1
1882 1 75 THR HB 1 76 LYS HG3 . . 5.040 4.742 4.303 5.046 0.006 14 0 "[ . 1 . 2]" 1
1883 1 75 THR MG 1 76 LYS H . . 4.710 2.747 2.315 3.017 . 0 0 "[ . 1 . 2]" 1
1884 1 75 THR MG 1 76 LYS HA . . 5.130 3.688 3.322 4.018 . 0 0 "[ . 1 . 2]" 1
1885 1 75 THR MG 1 76 LYS HB2 . . 3.780 3.867 3.744 3.887 0.107 20 0 "[ . 1 . 2]" 1
1886 1 75 THR MG 1 76 LYS QD . . 3.370 3.290 3.013 3.479 0.109 17 0 "[ . 1 . 2]" 1
1887 1 75 THR MG 1 76 LYS QE . . 4.450 3.671 3.169 4.172 . 0 0 "[ . 1 . 2]" 1
1888 1 75 THR MG 1 76 LYS HG2 . . 2.980 2.348 2.064 2.557 . 0 0 "[ . 1 . 2]" 1
1889 1 75 THR MG 1 76 LYS HG3 . . 2.640 2.170 2.054 2.377 . 0 0 "[ . 1 . 2]" 1
1890 1 75 THR MG 1 77 GLY H . . 5.250 4.755 4.421 5.039 . 0 0 "[ . 1 . 2]" 1
1891 1 76 LYS H 1 76 LYS HB2 . . 3.480 2.630 2.495 2.764 . 0 0 "[ . 1 . 2]" 1
1892 1 76 LYS H 1 76 LYS HB3 . . 3.950 3.726 3.608 3.811 . 0 0 "[ . 1 . 2]" 1
1893 1 76 LYS H 1 76 LYS QD . . 4.530 4.539 4.266 4.629 0.099 12 0 "[ . 1 . 2]" 1
1894 1 76 LYS H 1 76 LYS HG2 . . 4.110 3.332 3.049 3.532 . 0 0 "[ . 1 . 2]" 1
1895 1 76 LYS H 1 76 LYS HG3 . . 4.270 2.687 2.360 2.893 . 0 0 "[ . 1 . 2]" 1
1896 1 76 LYS H 1 77 GLY H . . 3.330 2.885 2.329 3.284 . 0 0 "[ . 1 . 2]" 1
1897 1 76 LYS H 1 77 GLY HA2 . . 5.190 5.159 4.836 5.274 0.084 6 0 "[ . 1 . 2]" 1
1898 1 76 LYS H 1 77 GLY HA3 . . 5.220 5.031 4.805 5.242 0.022 17 0 "[ . 1 . 2]" 1
1899 1 76 LYS H 1 78 GLU H . . 3.900 3.332 3.146 3.644 . 0 0 "[ . 1 . 2]" 1
1900 1 76 LYS H 1 78 GLU QB . . 5.500 4.194 4.036 4.477 . 0 0 "[ . 1 . 2]" 1
1901 1 76 LYS HA 1 76 LYS QD . . 3.880 3.814 3.674 3.963 0.083 7 0 "[ . 1 . 2]" 1
1902 1 76 LYS HA 1 76 LYS HG2 . . 3.870 2.530 2.376 2.733 . 0 0 "[ . 1 . 2]" 1
1903 1 76 LYS HA 1 76 LYS HG3 . . 3.510 3.477 3.258 3.580 0.070 10 0 "[ . 1 . 2]" 1
1904 1 76 LYS HA 1 77 GLY H . . 3.140 2.895 2.513 3.220 0.080 19 0 "[ . 1 . 2]" 1
1905 1 76 LYS HA 1 77 GLY HA2 . . 4.910 4.530 4.284 4.767 . 0 0 "[ . 1 . 2]" 1
1906 1 76 LYS HA 1 77 GLY HA3 . . 4.310 4.375 4.315 4.435 0.125 7 0 "[ . 1 . 2]" 1
1907 1 76 LYS HA 1 78 GLU H . . 4.660 4.602 4.352 4.742 0.082 7 0 "[ . 1 . 2]" 1
1908 1 76 LYS HB2 1 77 GLY H . . 4.480 4.178 3.647 4.497 0.017 20 0 "[ . 1 . 2]" 1
1909 1 76 LYS HB2 1 78 GLU H . . 5.120 3.982 3.439 4.892 . 0 0 "[ . 1 . 2]" 1
1910 1 76 LYS HB3 1 76 LYS QD . . 3.150 2.377 2.216 2.620 . 0 0 "[ . 1 . 2]" 1
1911 1 76 LYS HB3 1 76 LYS QE . . 4.400 2.938 2.318 3.602 . 0 0 "[ . 1 . 2]" 1
1912 1 76 LYS HB3 1 77 GLY H . . 4.580 4.499 4.360 4.605 0.025 17 0 "[ . 1 . 2]" 1
1913 1 76 LYS QD 1 76 LYS HG2 . . 2.490 2.157 2.108 2.183 . 0 0 "[ . 1 . 2]" 1
1914 1 76 LYS QE 1 76 LYS HG3 . . 3.730 2.325 2.122 2.634 . 0 0 "[ . 1 . 2]" 1
1915 1 76 LYS HG2 1 77 GLY H . . 5.500 4.936 4.762 5.098 . 0 0 "[ . 1 . 2]" 1
1916 1 76 LYS HG3 1 77 GLY H . . 5.500 5.105 4.756 5.341 . 0 0 "[ . 1 . 2]" 1
1917 1 77 GLY H 1 78 GLU H . . 3.430 2.675 1.812 3.424 . 0 0 "[ . 1 . 2]" 1
1918 1 77 GLY H 1 78 GLU QB . . 5.500 4.508 3.794 5.136 . 0 0 "[ . 1 . 2]" 1
1919 1 77 GLY HA2 1 78 GLU QB . . 5.500 5.141 4.585 5.235 . 0 0 "[ . 1 . 2]" 1
1920 1 77 GLY HA3 1 78 GLU HA . . 4.190 4.301 4.273 4.630 0.440 7 0 "[ . 1 . 2]" 1
1921 1 77 GLY HA3 1 78 GLU QB . . 5.150 4.449 4.150 4.720 . 0 0 "[ . 1 . 2]" 1
1922 1 78 GLU H 1 78 GLU QB . . 3.160 2.209 2.002 2.460 . 0 0 "[ . 1 . 2]" 1
1923 1 78 GLU H 1 78 GLU QG . . 4.020 4.014 3.649 4.111 0.091 16 0 "[ . 1 . 2]" 1
1924 1 78 GLU H 1 79 ASN H . . 4.620 4.353 4.192 4.479 . 0 0 "[ . 1 . 2]" 1
1925 1 78 GLU HA 1 78 GLU QG . . 3.410 2.473 2.168 2.887 . 0 0 "[ . 1 . 2]" 1
1926 1 78 GLU HA 1 79 ASN H . . 2.740 2.657 2.525 2.782 0.042 20 0 "[ . 1 . 2]" 1
1927 1 78 GLU HA 1 79 ASN HA . . 4.570 4.642 4.573 4.657 0.087 7 0 "[ . 1 . 2]" 1
1928 1 78 GLU HA 1 79 ASN HB2 . . 4.700 4.156 3.701 4.526 . 0 0 "[ . 1 . 2]" 1
1929 1 78 GLU HA 1 79 ASN HB3 . . 4.900 4.553 4.229 4.856 . 0 0 "[ . 1 . 2]" 1
1930 1 78 GLU HA 1 80 PHE H . . 4.770 4.840 4.606 4.864 0.094 3 0 "[ . 1 . 2]" 1
1931 1 78 GLU QB 1 79 ASN H . . 3.300 2.452 2.110 2.908 . 0 0 "[ . 1 . 2]" 1
1932 1 78 GLU QB 1 79 ASN HA . . 5.170 3.961 3.522 4.373 . 0 0 "[ . 1 . 2]" 1
1933 1 78 GLU QB 1 80 PHE H . . 5.000 3.362 2.986 3.895 . 0 0 "[ . 1 . 2]" 1
1934 1 78 GLU QB 1 80 PHE QD . . 4.660 3.415 2.826 4.367 . 0 0 "[ . 1 . 2]" 1
1935 1 78 GLU QG 1 79 ASN H . . 3.920 2.168 1.602 3.351 . 0 0 "[ . 1 . 2]" 1
1936 1 78 GLU QG 1 80 PHE H . . 5.500 3.358 2.609 4.363 . 0 0 "[ . 1 . 2]" 1
1937 1 78 GLU QG 1 80 PHE QD . . 4.760 3.075 2.104 4.145 . 0 0 "[ . 1 . 2]" 1
1938 1 78 GLU QG 1 80 PHE QE . . 4.480 2.927 2.139 4.597 0.117 13 0 "[ . 1 . 2]" 1
1939 1 79 ASN H 1 79 ASN HB2 . . 3.510 3.531 3.322 3.597 0.087 10 0 "[ . 1 . 2]" 1
1940 1 79 ASN H 1 79 ASN HB3 . . 3.340 3.407 3.325 3.434 0.094 8 0 "[ . 1 . 2]" 1
1941 1 79 ASN H 1 79 ASN HD21 . . 4.890 4.703 4.425 4.955 0.065 2 0 "[ . 1 . 2]" 1
1942 1 79 ASN H 1 80 PHE H . . 3.690 2.256 1.974 2.421 . 0 0 "[ . 1 . 2]" 1
1943 1 79 ASN HA 1 79 ASN HD22 . . 5.370 3.733 3.496 3.993 . 0 0 "[ . 1 . 2]" 1
1944 1 79 ASN HA 1 80 PHE H . . 2.800 2.577 2.360 2.847 0.047 7 0 "[ . 1 . 2]" 1
1945 1 79 ASN HA 1 80 PHE QD . . 5.500 4.906 4.163 5.585 0.085 12 0 "[ . 1 . 2]" 1
1946 1 79 ASN HB2 1 80 PHE H . . 4.610 4.622 4.549 4.678 0.068 7 0 "[ . 1 . 2]" 1
1947 1 79 ASN HB3 1 80 PHE H . . 4.260 4.320 4.244 4.349 0.089 16 0 "[ . 1 . 2]" 1
1948 1 79 ASN HD21 1 80 PHE H . . 5.500 4.303 3.801 4.981 . 0 0 "[ . 1 . 2]" 1
1949 1 79 ASN HD21 1 81 THR MG . . 5.470 4.228 2.990 5.571 0.101 12 0 "[ . 1 . 2]" 1
1950 1 79 ASN HD22 1 81 THR MG . . 5.070 4.630 3.725 5.144 0.074 20 0 "[ . 1 . 2]" 1
1951 1 80 PHE H 1 80 PHE HB2 . . 3.900 2.306 2.205 2.599 . 0 0 "[ . 1 . 2]" 1
1952 1 80 PHE H 1 80 PHE HB3 . . 3.440 3.525 3.500 3.655 0.215 17 0 "[ . 1 . 2]" 1
1953 1 80 PHE H 1 80 PHE QD . . 4.030 2.753 2.170 3.501 . 0 0 "[ . 1 . 2]" 1
1954 1 80 PHE H 1 81 THR H . . 4.890 4.502 4.328 4.674 . 0 0 "[ . 1 . 2]" 1
1955 1 80 PHE H 1 81 THR MG . . 5.500 5.372 5.063 5.574 0.074 1 0 "[ . 1 . 2]" 1
1956 1 80 PHE H 1 85 VAL MG2 . . 5.300 5.058 4.647 5.383 0.083 17 0 "[ . 1 . 2]" 1
1957 1 80 PHE HA 1 80 PHE QD . . 3.340 2.737 2.252 3.073 . 0 0 "[ . 1 . 2]" 1
1958 1 80 PHE HA 1 81 THR H . . 3.200 2.154 2.059 2.264 . 0 0 "[ . 1 . 2]" 1
1959 1 80 PHE HA 1 81 THR MG . . 4.190 3.964 3.652 4.249 0.059 5 0 "[ . 1 . 2]" 1
1960 1 80 PHE HA 1 84 ASP H . . 5.500 5.358 4.933 5.566 0.066 9 0 "[ . 1 . 2]" 1
1961 1 80 PHE HA 1 84 ASP HB2 . . 4.910 3.487 3.162 3.757 . 0 0 "[ . 1 . 2]" 1
1962 1 80 PHE HA 1 84 ASP HB3 . . 5.020 4.254 3.912 4.532 . 0 0 "[ . 1 . 2]" 1
1963 1 80 PHE HA 1 85 VAL MG2 . . 5.450 4.171 3.665 4.784 . 0 0 "[ . 1 . 2]" 1
1964 1 80 PHE HA 1 88 MET ME . . 5.500 4.632 4.280 5.165 . 0 0 "[ . 1 . 2]" 1
1965 1 80 PHE HB2 1 81 THR H . . 4.500 4.490 4.255 4.575 0.075 12 0 "[ . 1 . 2]" 1
1966 1 80 PHE HB2 1 85 VAL MG2 . . 3.760 3.369 3.030 3.739 . 0 0 "[ . 1 . 2]" 1
1967 1 80 PHE HB2 1 88 MET ME . . 4.130 3.758 3.317 4.037 . 0 0 "[ . 1 . 2]" 1
1968 1 80 PHE HB3 1 81 THR H . . 4.710 3.578 3.262 3.842 . 0 0 "[ . 1 . 2]" 1
1969 1 80 PHE HB3 1 81 THR MG . . 5.500 5.422 5.121 5.600 0.100 18 0 "[ . 1 . 2]" 1
1970 1 80 PHE HB3 1 84 ASP HB2 . . 5.170 3.723 3.157 4.252 . 0 0 "[ . 1 . 2]" 1
1971 1 80 PHE HB3 1 85 VAL MG2 . . 4.160 2.252 1.979 2.643 . 0 0 "[ . 1 . 2]" 1
1972 1 80 PHE HB3 1 88 MET ME . . 4.370 2.939 2.390 3.399 . 0 0 "[ . 1 . 2]" 1
1973 1 80 PHE QD 1 81 THR H . . 4.240 3.731 3.314 4.175 . 0 0 "[ . 1 . 2]" 1
1974 1 80 PHE QD 1 81 THR MG . . 5.500 5.524 5.231 5.648 0.148 4 0 "[ . 1 . 2]" 1
1975 1 80 PHE QD 1 84 ASP H . . 5.410 4.951 4.616 5.340 . 0 0 "[ . 1 . 2]" 1
1976 1 80 PHE QD 1 84 ASP HB2 . . 5.500 2.741 2.259 3.323 . 0 0 "[ . 1 . 2]" 1
1977 1 80 PHE QD 1 84 ASP HB3 . . 4.000 2.352 2.060 2.756 . 0 0 "[ . 1 . 2]" 1
1978 1 80 PHE QD 1 85 VAL HA . . 4.330 4.365 3.900 4.427 0.097 17 0 "[ . 1 . 2]" 1
1979 1 80 PHE QD 1 85 VAL MG2 . . 3.680 3.333 2.714 3.704 0.024 17 0 "[ . 1 . 2]" 1
1980 1 80 PHE QD 1 88 MET ME . . 3.510 2.618 2.260 2.828 . 0 0 "[ . 1 . 2]" 1
1981 1 80 PHE QE 1 84 ASP HB3 . . 5.030 3.389 2.651 4.022 . 0 0 "[ . 1 . 2]" 1
1982 1 80 PHE QE 1 88 MET ME . . 4.840 3.037 2.584 3.361 . 0 0 "[ . 1 . 2]" 1
1983 1 81 THR H 1 81 THR HB . . 4.000 3.471 3.285 3.656 . 0 0 "[ . 1 . 2]" 1
1984 1 81 THR H 1 81 THR MG . . 3.260 2.533 2.324 2.899 . 0 0 "[ . 1 . 2]" 1
1985 1 81 THR H 1 82 GLU H . . 5.500 4.698 4.604 4.778 . 0 0 "[ . 1 . 2]" 1
1986 1 81 THR H 1 84 ASP H . . 4.570 3.708 3.335 4.113 . 0 0 "[ . 1 . 2]" 1
1987 1 81 THR H 1 84 ASP HB2 . . 3.870 2.626 2.312 2.891 . 0 0 "[ . 1 . 2]" 1
1988 1 81 THR H 1 84 ASP HB3 . . 4.240 4.075 3.702 4.304 0.064 17 0 "[ . 1 . 2]" 1
1989 1 81 THR H 1 85 VAL H . . 5.300 4.296 3.924 4.667 . 0 0 "[ . 1 . 2]" 1
1990 1 81 THR H 1 85 VAL MG2 . . 5.310 4.098 3.686 4.431 . 0 0 "[ . 1 . 2]" 1
1991 1 81 THR H 1 88 MET ME . . 5.500 5.385 5.004 5.614 0.114 7 0 "[ . 1 . 2]" 1
1992 1 81 THR HA 1 81 THR MG . . 3.120 2.213 2.022 2.323 . 0 0 "[ . 1 . 2]" 1
1993 1 81 THR HA 1 82 GLU H . . 3.140 2.492 2.338 2.692 . 0 0 "[ . 1 . 2]" 1
1994 1 81 THR HA 1 82 GLU HA . . 4.930 4.415 4.307 4.521 . 0 0 "[ . 1 . 2]" 1
1995 1 81 THR HA 1 82 GLU HB2 . . 5.250 4.825 4.338 5.214 . 0 0 "[ . 1 . 2]" 1
1996 1 81 THR HA 1 82 GLU HB3 . . 4.850 4.685 4.356 5.167 0.317 11 0 "[ . 1 . 2]" 1
1997 1 81 THR HA 1 83 THR H . . 4.650 4.355 4.150 4.533 . 0 0 "[ . 1 . 2]" 1
1998 1 81 THR HA 1 85 VAL MG2 . . 5.130 4.482 4.198 4.881 . 0 0 "[ . 1 . 2]" 1
1999 1 81 THR HB 1 82 GLU H . . 3.230 2.700 2.323 3.178 . 0 0 "[ . 1 . 2]" 1
2000 1 81 THR HB 1 82 GLU HA . . 4.760 4.732 4.571 4.832 0.072 18 0 "[ . 1 . 2]" 1
2001 1 81 THR HB 1 82 GLU HB2 . . 5.340 5.102 4.638 5.408 0.068 7 0 "[ . 1 . 2]" 1
2002 1 81 THR HB 1 82 GLU HB3 . . 4.580 4.091 3.703 4.509 . 0 0 "[ . 1 . 2]" 1
2003 1 81 THR HB 1 83 THR H . . 3.080 2.542 2.151 2.815 . 0 0 "[ . 1 . 2]" 1
2004 1 81 THR HB 1 83 THR HB . . 3.260 3.337 3.313 3.349 0.089 9 0 "[ . 1 . 2]" 1
2005 1 81 THR HB 1 84 ASP H . . 3.630 3.181 2.780 3.625 . 0 0 "[ . 1 . 2]" 1
2006 1 81 THR HB 1 84 ASP HB2 . . 5.190 4.360 3.804 4.945 . 0 0 "[ . 1 . 2]" 1
2007 1 81 THR HB 1 85 VAL H . . 4.970 4.873 4.581 5.051 0.081 8 0 "[ . 1 . 2]" 1
2008 1 81 THR MG 1 82 GLU H . . 3.860 3.501 2.986 3.758 . 0 0 "[ . 1 . 2]" 1
2009 1 81 THR MG 1 82 GLU HA . . 5.500 5.526 5.245 5.606 0.106 11 0 "[ . 1 . 2]" 1
2010 1 81 THR MG 1 83 THR H . . 4.740 4.146 3.845 4.367 . 0 0 "[ . 1 . 2]" 1
2011 1 81 THR MG 1 83 THR HB . . 5.430 4.327 3.938 4.660 . 0 0 "[ . 1 . 2]" 1
2012 1 81 THR MG 1 84 ASP H . . 4.960 4.262 3.870 4.599 . 0 0 "[ . 1 . 2]" 1
2013 1 81 THR MG 1 84 ASP HB2 . . 4.770 4.383 4.075 4.680 . 0 0 "[ . 1 . 2]" 1
2014 1 82 GLU H 1 82 GLU HB2 . . 3.380 2.572 1.992 2.857 . 0 0 "[ . 1 . 2]" 1
2015 1 82 GLU H 1 82 GLU HB3 . . 3.330 2.227 2.026 2.836 . 0 0 "[ . 1 . 2]" 1
2016 1 82 GLU H 1 82 GLU HG2 . . 3.960 4.103 4.040 4.554 0.594 11 1 "[ . 1+ . 2]" 1
2017 1 82 GLU H 1 82 GLU HG3 . . 4.630 4.357 4.041 4.492 . 0 0 "[ . 1 . 2]" 1
2018 1 82 GLU H 1 83 THR H . . 3.610 2.767 2.456 3.134 . 0 0 "[ . 1 . 2]" 1
2019 1 82 GLU H 1 84 ASP H . . 5.500 4.257 3.957 4.543 . 0 0 "[ . 1 . 2]" 1
2020 1 82 GLU H 1 85 VAL MG2 . . 5.350 4.671 4.366 5.019 . 0 0 "[ . 1 . 2]" 1
2021 1 82 GLU HA 1 82 GLU HB2 . . 2.930 2.393 2.296 2.605 . 0 0 "[ . 1 . 2]" 1
2022 1 82 GLU HA 1 82 GLU HG2 . . 3.730 3.263 2.224 3.592 . 0 0 "[ . 1 . 2]" 1
2023 1 82 GLU HA 1 82 GLU HG3 . . 3.520 2.717 2.140 3.248 . 0 0 "[ . 1 . 2]" 1
2024 1 82 GLU HA 1 83 THR HA . . 5.500 4.777 4.662 4.861 . 0 0 "[ . 1 . 2]" 1
2025 1 82 GLU HA 1 85 VAL H . . 3.800 3.475 3.273 3.670 . 0 0 "[ . 1 . 2]" 1
2026 1 82 GLU HA 1 85 VAL HB . . 3.480 2.450 2.169 2.698 . 0 0 "[ . 1 . 2]" 1
2027 1 82 GLU HA 1 85 VAL MG1 . . 4.240 3.768 3.362 4.141 . 0 0 "[ . 1 . 2]" 1
2028 1 82 GLU HA 1 85 VAL MG2 . . 3.510 3.341 3.036 3.606 0.096 14 0 "[ . 1 . 2]" 1
2029 1 82 GLU HB2 1 83 THR H . . 4.190 4.017 3.694 4.233 0.043 12 0 "[ . 1 . 2]" 1
2030 1 82 GLU HB3 1 83 THR H . . 3.820 2.695 2.349 2.986 . 0 0 "[ . 1 . 2]" 1
2031 1 82 GLU HG2 1 83 THR H . . 4.830 3.317 2.839 4.439 . 0 0 "[ . 1 . 2]" 1
2032 1 82 GLU HG2 1 86 LYS QB . . 5.400 4.387 3.715 5.057 . 0 0 "[ . 1 . 2]" 1
2033 1 82 GLU HG2 1 86 LYS QD . . 5.500 3.185 2.311 4.969 . 0 0 "[ . 1 . 2]" 1
2034 1 82 GLU HG2 1 86 LYS QE . . 5.040 3.854 2.418 5.026 . 0 0 "[ . 1 . 2]" 1
2035 1 82 GLU HG2 1 86 LYS HG2 . . 5.500 4.307 2.971 5.084 . 0 0 "[ . 1 . 2]" 1
2036 1 82 GLU HG3 1 83 THR H . . 4.870 4.403 4.035 4.923 0.053 10 0 "[ . 1 . 2]" 1
2037 1 82 GLU HG3 1 85 VAL HB . . 5.180 4.255 3.611 5.242 0.062 10 0 "[ . 1 . 2]" 1
2038 1 82 GLU HG3 1 86 LYS QE . . 5.370 4.259 2.819 5.448 0.078 4 0 "[ . 1 . 2]" 1
2039 1 83 THR H 1 83 THR HB . . 3.290 2.551 2.261 2.769 . 0 0 "[ . 1 . 2]" 1
2040 1 83 THR H 1 83 THR MG . . 4.210 3.709 3.620 3.817 . 0 0 "[ . 1 . 2]" 1
2041 1 83 THR H 1 84 ASP H . . 3.560 2.847 2.674 2.998 . 0 0 "[ . 1 . 2]" 1
2042 1 83 THR H 1 85 VAL H . . 5.070 4.323 4.081 4.528 . 0 0 "[ . 1 . 2]" 1
2043 1 83 THR H 1 85 VAL MG2 . . 5.500 5.390 5.105 5.598 0.098 14 0 "[ . 1 . 2]" 1
2044 1 83 THR H 1 86 LYS H . . 5.500 4.700 4.542 4.855 . 0 0 "[ . 1 . 2]" 1
2045 1 83 THR H 1 86 LYS QB . . 5.500 4.957 4.592 5.342 . 0 0 "[ . 1 . 2]" 1
2046 1 83 THR HA 1 83 THR MG . . 3.580 2.363 2.161 2.669 . 0 0 "[ . 1 . 2]" 1
2047 1 83 THR HA 1 85 VAL H . . 4.780 4.635 4.420 4.832 0.052 18 0 "[ . 1 . 2]" 1
2048 1 83 THR HA 1 86 LYS H . . 4.290 3.493 3.163 3.740 . 0 0 "[ . 1 . 2]" 1
2049 1 83 THR HA 1 86 LYS HA . . 5.500 5.391 5.095 5.584 0.084 12 0 "[ . 1 . 2]" 1
2050 1 83 THR HA 1 86 LYS QB . . 4.020 2.698 2.363 3.723 . 0 0 "[ . 1 . 2]" 1
2051 1 83 THR HA 1 86 LYS QD . . 4.560 2.940 2.046 4.490 . 0 0 "[ . 1 . 2]" 1
2052 1 83 THR HB 1 84 ASP H . . 3.800 2.944 2.544 3.338 . 0 0 "[ . 1 . 2]" 1
2053 1 83 THR MG 1 84 ASP H . . 4.360 3.892 3.453 4.147 . 0 0 "[ . 1 . 2]" 1
2054 1 83 THR MG 1 84 ASP HA . . 4.910 4.031 3.516 4.247 . 0 0 "[ . 1 . 2]" 1
2055 1 83 THR MG 1 86 LYS H . . 5.500 4.932 4.608 5.235 . 0 0 "[ . 1 . 2]" 1
2056 1 83 THR MG 1 86 LYS QD . . 5.030 3.805 2.476 5.118 0.088 5 0 "[ . 1 . 2]" 1
2057 1 83 THR MG 1 86 LYS QE . . 5.460 4.766 2.552 5.583 0.123 11 0 "[ . 1 . 2]" 1
2058 1 83 THR MG 1 87 MET H . . 5.010 4.933 4.502 5.118 0.108 18 0 "[ . 1 . 2]" 1
2059 1 83 THR MG 1 87 MET ME . . 3.280 3.335 3.080 3.409 0.129 7 0 "[ . 1 . 2]" 1
2060 1 83 THR MG 1 87 MET QG . . 4.110 3.627 3.263 3.782 . 0 0 "[ . 1 . 2]" 1
2061 1 84 ASP H 1 84 ASP HB2 . . 4.040 2.376 2.190 2.619 . 0 0 "[ . 1 . 2]" 1
2062 1 84 ASP H 1 85 VAL H . . 3.800 2.455 2.088 2.731 . 0 0 "[ . 1 . 2]" 1
2063 1 84 ASP H 1 85 VAL MG2 . . 4.970 4.150 3.845 4.459 . 0 0 "[ . 1 . 2]" 1
2064 1 84 ASP H 1 86 LYS H . . 5.330 3.948 3.515 4.245 . 0 0 "[ . 1 . 2]" 1
2065 1 84 ASP H 1 87 MET QG . . 5.180 4.739 4.452 4.966 . 0 0 "[ . 1 . 2]" 1
2066 1 84 ASP HA 1 87 MET H . . 3.920 3.585 3.204 3.960 0.040 19 0 "[ . 1 . 2]" 1
2067 1 84 ASP HA 1 87 MET HB2 . . 3.920 3.550 3.104 3.941 0.021 19 0 "[ . 1 . 2]" 1
2068 1 84 ASP HA 1 87 MET QG . . 4.940 2.587 2.111 3.046 . 0 0 "[ . 1 . 2]" 1
2069 1 84 ASP HA 1 88 MET ME . . 5.420 5.162 4.676 5.403 . 0 0 "[ . 1 . 2]" 1
2070 1 84 ASP HB2 1 85 VAL H . . 4.220 2.672 2.324 3.143 . 0 0 "[ . 1 . 2]" 1
2071 1 84 ASP HB3 1 85 VAL H . . 4.740 3.430 3.096 3.607 . 0 0 "[ . 1 . 2]" 1
2072 1 84 ASP HB3 1 85 VAL MG2 . . 5.500 4.059 3.622 4.428 . 0 0 "[ . 1 . 2]" 1
2073 1 84 ASP HB3 1 88 MET ME . . 4.130 3.677 3.051 4.169 0.039 18 0 "[ . 1 . 2]" 1
2074 1 85 VAL H 1 85 VAL HB . . 3.440 2.412 2.287 2.588 . 0 0 "[ . 1 . 2]" 1
2075 1 85 VAL H 1 85 VAL MG1 . . 4.320 3.771 3.714 3.828 . 0 0 "[ . 1 . 2]" 1
2076 1 85 VAL H 1 85 VAL MG2 . . 3.060 2.273 2.140 2.469 . 0 0 "[ . 1 . 2]" 1
2077 1 85 VAL H 1 86 LYS H . . 3.350 2.821 2.535 3.018 . 0 0 "[ . 1 . 2]" 1
2078 1 85 VAL H 1 88 MET ME . . 4.870 3.820 3.447 4.152 . 0 0 "[ . 1 . 2]" 1
2079 1 85 VAL HA 1 85 VAL MG1 . . 3.290 2.537 2.405 2.711 . 0 0 "[ . 1 . 2]" 1
2080 1 85 VAL HA 1 85 VAL MG2 . . 3.110 2.298 2.188 2.387 . 0 0 "[ . 1 . 2]" 1
2081 1 85 VAL HA 1 86 LYS HA . . 5.180 4.898 4.821 5.006 . 0 0 "[ . 1 . 2]" 1
2082 1 85 VAL HA 1 87 MET H . . 5.500 4.105 3.908 4.357 . 0 0 "[ . 1 . 2]" 1
2083 1 85 VAL HA 1 88 MET H . . 4.680 3.142 2.994 3.402 . 0 0 "[ . 1 . 2]" 1
2084 1 85 VAL HA 1 88 MET HB2 . . 3.980 2.355 2.120 2.560 . 0 0 "[ . 1 . 2]" 1
2085 1 85 VAL HA 1 88 MET HB3 . . 4.170 3.699 2.142 4.228 0.058 10 0 "[ . 1 . 2]" 1
2086 1 85 VAL HA 1 88 MET ME . . 3.010 2.236 2.016 2.481 . 0 0 "[ . 1 . 2]" 1
2087 1 85 VAL HA 1 88 MET HG2 . . 4.640 4.530 4.058 4.725 0.085 18 0 "[ . 1 . 2]" 1
2088 1 85 VAL HA 1 89 GLU H . . 4.840 3.756 3.415 3.966 . 0 0 "[ . 1 . 2]" 1
2089 1 85 VAL HB 1 86 LYS H . . 3.650 2.820 2.654 2.961 . 0 0 "[ . 1 . 2]" 1
2090 1 85 VAL HB 1 88 MET ME . . 4.880 4.308 4.078 4.659 . 0 0 "[ . 1 . 2]" 1
2091 1 85 VAL HB 1 89 GLU HG3 . . 4.770 4.644 4.326 4.841 0.071 13 0 "[ . 1 . 2]" 1
2092 1 85 VAL MG1 1 86 LYS H . . 3.930 3.383 3.007 3.692 . 0 0 "[ . 1 . 2]" 1
2093 1 85 VAL MG1 1 86 LYS QD . . 5.500 5.448 5.199 5.651 0.151 14 0 "[ . 1 . 2]" 1
2094 1 85 VAL MG1 1 86 LYS HG2 . . 5.500 4.717 3.718 5.301 . 0 0 "[ . 1 . 2]" 1
2095 1 85 VAL MG1 1 87 MET H . . 5.500 4.882 4.459 5.123 . 0 0 "[ . 1 . 2]" 1
2096 1 85 VAL MG1 1 88 MET H . . 5.190 4.525 4.232 4.826 . 0 0 "[ . 1 . 2]" 1
2097 1 85 VAL MG1 1 88 MET HB2 . . 4.110 3.540 2.946 4.194 0.084 8 0 "[ . 1 . 2]" 1
2098 1 85 VAL MG1 1 88 MET ME . . 3.280 3.205 2.690 3.395 0.115 16 0 "[ . 1 . 2]" 1
2099 1 85 VAL MG1 1 89 GLU H . . 5.170 3.488 3.315 3.791 . 0 0 "[ . 1 . 2]" 1
2100 1 85 VAL MG1 1 89 GLU HG3 . . 4.220 2.380 2.082 2.616 . 0 0 "[ . 1 . 2]" 1
2101 1 85 VAL MG2 1 86 LYS H . . 4.210 4.075 3.969 4.151 . 0 0 "[ . 1 . 2]" 1
2102 1 85 VAL MG2 1 86 LYS HG3 . . 5.500 5.698 5.530 6.377 0.877 3 3 "[ + * - 1 . 2]" 1
2103 1 85 VAL MG2 1 87 MET H . . 5.500 5.394 5.191 5.564 0.064 5 0 "[ . 1 . 2]" 1
2104 1 85 VAL MG2 1 88 MET HB2 . . 5.370 3.843 3.570 4.168 . 0 0 "[ . 1 . 2]" 1
2105 1 85 VAL MG2 1 88 MET ME . . 3.520 2.156 1.944 2.405 . 0 0 "[ . 1 . 2]" 1
2106 1 85 VAL MG2 1 89 GLU H . . 5.080 5.118 4.919 5.182 0.102 10 0 "[ . 1 . 2]" 1
2107 1 86 LYS H 1 86 LYS QB . . 3.360 2.284 2.087 2.565 . 0 0 "[ . 1 . 2]" 1
2108 1 86 LYS H 1 86 LYS QD . . 4.510 3.878 3.484 4.415 . 0 0 "[ . 1 . 2]" 1
2109 1 86 LYS H 1 86 LYS HG2 . . 4.270 3.553 2.626 4.055 . 0 0 "[ . 1 . 2]" 1
2110 1 86 LYS H 1 86 LYS HG3 . . 4.160 2.682 2.035 3.344 . 0 0 "[ . 1 . 2]" 1
2111 1 86 LYS H 1 87 MET H . . 3.740 2.844 2.714 2.949 . 0 0 "[ . 1 . 2]" 1
2112 1 86 LYS H 1 88 MET ME . . 5.500 5.276 5.069 5.566 0.066 8 0 "[ . 1 . 2]" 1
2113 1 86 LYS H 1 89 GLU H . . 5.500 4.738 4.572 4.859 . 0 0 "[ . 1 . 2]" 1
2114 1 86 LYS HA 1 86 LYS QD . . 4.190 3.822 2.514 4.203 0.013 2 0 "[ . 1 . 2]" 1
2115 1 86 LYS HA 1 86 LYS HG2 . . 3.880 2.535 2.228 3.973 0.093 14 0 "[ . 1 . 2]" 1
2116 1 86 LYS HA 1 86 LYS HG3 . . 3.950 2.950 2.414 3.711 . 0 0 "[ . 1 . 2]" 1
2117 1 86 LYS HA 1 88 MET H . . 5.460 4.669 4.419 4.823 . 0 0 "[ . 1 . 2]" 1
2118 1 86 LYS HA 1 89 GLU H . . 4.160 3.632 3.238 3.891 . 0 0 "[ . 1 . 2]" 1
2119 1 86 LYS HA 1 89 GLU HB2 . . 3.770 3.001 2.185 3.797 0.027 5 0 "[ . 1 . 2]" 1
2120 1 86 LYS HA 1 89 GLU HG2 . . 4.580 4.414 3.744 4.666 0.086 2 0 "[ . 1 . 2]" 1
2121 1 86 LYS HA 1 89 GLU HG3 . . 4.540 2.853 2.195 3.449 . 0 0 "[ . 1 . 2]" 1
2122 1 86 LYS HA 1 90 ARG H . . 4.990 4.589 4.293 5.056 0.066 18 0 "[ . 1 . 2]" 1
2123 1 86 LYS QB 1 87 MET H . . 3.700 2.744 2.394 3.499 . 0 0 "[ . 1 . 2]" 1
2124 1 86 LYS QB 1 87 MET ME . . 4.210 3.857 3.622 4.171 . 0 0 "[ . 1 . 2]" 1
2125 1 86 LYS QB 1 87 MET QG . . 5.290 3.263 2.955 3.726 . 0 0 "[ . 1 . 2]" 1
2126 1 86 LYS HG2 1 87 MET H . . 5.380 5.000 4.204 5.298 . 0 0 "[ . 1 . 2]" 1
2127 1 86 LYS HG3 1 87 MET H . . 5.090 4.632 2.590 4.991 . 0 0 "[ . 1 . 2]" 1
2128 1 87 MET H 1 87 MET HB2 . . 3.530 2.663 2.475 3.037 . 0 0 "[ . 1 . 2]" 1
2129 1 87 MET H 1 87 MET ME . . 4.320 4.154 3.808 4.375 0.055 16 0 "[ . 1 . 2]" 1
2130 1 87 MET H 1 87 MET QG . . 3.710 2.248 2.034 2.444 . 0 0 "[ . 1 . 2]" 1
2131 1 87 MET H 1 88 MET H . . 3.800 2.522 2.267 2.760 . 0 0 "[ . 1 . 2]" 1
2132 1 87 MET H 1 88 MET HA . . 5.500 5.162 4.937 5.366 . 0 0 "[ . 1 . 2]" 1
2133 1 87 MET H 1 89 GLU H . . 4.750 4.083 3.798 4.398 . 0 0 "[ . 1 . 2]" 1
2134 1 87 MET H 1 89 GLU HG3 . . 5.250 5.271 5.080 5.330 0.080 4 0 "[ . 1 . 2]" 1
2135 1 87 MET H 1 90 ARG H . . 5.500 5.101 4.892 5.513 0.013 11 0 "[ . 1 . 2]" 1
2136 1 87 MET HA 1 87 MET ME . . 5.260 3.512 3.008 3.929 . 0 0 "[ . 1 . 2]" 1
2137 1 87 MET HA 1 87 MET QG . . 3.480 2.730 2.468 3.199 . 0 0 "[ . 1 . 2]" 1
2138 1 87 MET HA 1 88 MET HA . . 5.450 4.843 4.745 4.953 . 0 0 "[ . 1 . 2]" 1
2139 1 87 MET HA 1 90 ARG H . . 4.320 3.794 3.575 4.249 . 0 0 "[ . 1 . 2]" 1
2140 1 87 MET HA 1 91 VAL QG . . 5.300 4.764 4.023 5.036 . 0 0 "[ . 1 . 2]" 1
2141 1 87 MET HB2 1 88 MET H . . 4.390 2.507 2.317 2.701 . 0 0 "[ . 1 . 2]" 1
2142 1 87 MET HB3 1 87 MET ME . . 3.790 3.459 2.433 3.865 0.075 9 0 "[ . 1 . 2]" 1
2143 1 87 MET ME 1 87 MET QG . . 3.290 2.059 1.932 2.193 . 0 0 "[ . 1 . 2]" 1
2144 1 87 MET QG 1 88 MET H . . 5.010 3.754 3.184 4.010 . 0 0 "[ . 1 . 2]" 1
2145 1 88 MET H 1 88 MET HB2 . . 3.880 2.383 2.035 2.538 . 0 0 "[ . 1 . 2]" 1
2146 1 88 MET H 1 88 MET HB3 . . 4.010 3.467 2.708 3.672 . 0 0 "[ . 1 . 2]" 1
2147 1 88 MET H 1 88 MET ME . . 4.660 3.967 3.758 4.226 . 0 0 "[ . 1 . 2]" 1
2148 1 88 MET H 1 88 MET HG2 . . 4.410 3.901 3.187 4.537 0.127 8 0 "[ . 1 . 2]" 1
2149 1 88 MET H 1 88 MET HG3 . . 4.470 2.971 2.125 4.238 . 0 0 "[ . 1 . 2]" 1
2150 1 88 MET H 1 89 GLU H . . 3.900 2.874 2.642 3.026 . 0 0 "[ . 1 . 2]" 1
2151 1 88 MET H 1 90 ARG H . . 5.500 4.487 4.214 5.025 . 0 0 "[ . 1 . 2]" 1
2152 1 88 MET H 1 91 VAL H . . 5.500 4.718 4.565 5.061 . 0 0 "[ . 1 . 2]" 1
2153 1 88 MET H 1 91 VAL QG . . 4.840 4.497 3.843 4.641 . 0 0 "[ . 1 . 2]" 1
2154 1 88 MET HA 1 88 MET ME . . 4.490 4.471 4.339 4.571 0.081 1 0 "[ . 1 . 2]" 1
2155 1 88 MET HA 1 88 MET HG2 . . 4.060 2.836 2.144 3.359 . 0 0 "[ . 1 . 2]" 1
2156 1 88 MET HA 1 88 MET HG3 . . 3.880 2.543 2.129 3.271 . 0 0 "[ . 1 . 2]" 1
2157 1 88 MET HA 1 90 ARG H . . 5.190 4.400 3.291 4.762 . 0 0 "[ . 1 . 2]" 1
2158 1 88 MET HA 1 91 VAL H . . 4.090 3.239 2.917 3.478 . 0 0 "[ . 1 . 2]" 1
2159 1 88 MET HA 1 91 VAL HB . . 3.750 2.642 2.246 3.851 0.101 18 0 "[ . 1 . 2]" 1
2160 1 88 MET HA 1 91 VAL QG . . 3.320 2.366 1.824 2.592 . 0 0 "[ . 1 . 2]" 1
2161 1 88 MET HA 1 92 VAL H . . 4.530 3.583 3.386 3.962 . 0 0 "[ . 1 . 2]" 1
2162 1 88 MET HA 1 92 VAL QG . . 4.860 3.334 3.041 3.836 . 0 0 "[ . 1 . 2]" 1
2163 1 88 MET HB2 1 88 MET ME . . 4.750 2.346 2.202 2.562 . 0 0 "[ . 1 . 2]" 1
2164 1 88 MET HB2 1 89 GLU H . . 4.000 2.912 2.642 3.758 . 0 0 "[ . 1 . 2]" 1
2165 1 88 MET HB2 1 91 VAL QG . . 5.500 4.564 3.854 4.844 . 0 0 "[ . 1 . 2]" 1
2166 1 88 MET HB3 1 88 MET ME . . 3.050 2.715 2.408 2.999 . 0 0 "[ . 1 . 2]" 1
2167 1 88 MET HB3 1 89 GLU H . . 4.080 3.382 2.488 3.808 . 0 0 "[ . 1 . 2]" 1
2168 1 88 MET HB3 1 89 GLU HA . . 5.110 4.313 4.021 4.728 . 0 0 "[ . 1 . 2]" 1
2169 1 88 MET HB3 1 91 VAL QG . . 5.270 3.781 2.856 4.775 . 0 0 "[ . 1 . 2]" 1
2170 1 88 MET HB3 1 92 VAL QG . . 5.150 3.072 2.587 4.077 . 0 0 "[ . 1 . 2]" 1
2171 1 88 MET ME 1 88 MET HG2 . . 3.420 2.871 2.306 3.455 0.035 18 0 "[ . 1 . 2]" 1
2172 1 88 MET ME 1 88 MET HG3 . . 3.150 3.133 2.603 3.477 0.327 14 0 "[ . 1 . 2]" 1
2173 1 88 MET ME 1 89 GLU H . . 5.500 4.560 4.207 4.801 . 0 0 "[ . 1 . 2]" 1
2174 1 88 MET HG2 1 89 GLU H . . 4.900 5.000 4.153 5.356 0.456 13 0 "[ . 1 . 2]" 1
2175 1 88 MET HG2 1 91 VAL QG . . 3.970 3.529 2.506 4.138 0.168 8 0 "[ . 1 . 2]" 1
2176 1 88 MET HG2 1 92 VAL QG . . 4.260 3.747 2.077 4.312 0.052 15 0 "[ . 1 . 2]" 1
2177 1 88 MET HG3 1 91 VAL QG . . 5.210 3.618 2.923 4.456 . 0 0 "[ . 1 . 2]" 1
2178 1 89 GLU H 1 89 GLU HB2 . . 3.270 2.531 2.296 2.823 . 0 0 "[ . 1 . 2]" 1
2179 1 89 GLU H 1 89 GLU HB3 . . 3.530 3.595 3.555 3.610 0.080 9 0 "[ . 1 . 2]" 1
2180 1 89 GLU H 1 89 GLU HG2 . . 3.920 2.997 2.342 3.494 . 0 0 "[ . 1 . 2]" 1
2181 1 89 GLU H 1 89 GLU HG3 . . 3.910 2.659 2.313 3.290 . 0 0 "[ . 1 . 2]" 1
2182 1 89 GLU H 1 90 ARG H . . 3.590 2.944 2.773 3.366 . 0 0 "[ . 1 . 2]" 1
2183 1 89 GLU HA 1 89 GLU HG2 . . 3.210 2.447 2.060 2.678 . 0 0 "[ . 1 . 2]" 1
2184 1 89 GLU HA 1 89 GLU HG3 . . 3.870 3.418 2.950 3.779 . 0 0 "[ . 1 . 2]" 1
2185 1 89 GLU HA 1 90 ARG HA . . 5.500 4.768 4.649 4.920 . 0 0 "[ . 1 . 2]" 1
2186 1 89 GLU HA 1 92 VAL H . . 4.550 3.955 3.685 4.141 . 0 0 "[ . 1 . 2]" 1
2187 1 89 GLU HA 1 92 VAL QG . . 5.100 3.348 2.119 3.914 . 0 0 "[ . 1 . 2]" 1
2188 1 89 GLU HA 1 93 GLU H . . 4.350 3.925 3.726 4.105 . 0 0 "[ . 1 . 2]" 1
2189 1 89 GLU HB2 1 90 ARG H . . 3.750 2.536 2.245 3.607 . 0 0 "[ . 1 . 2]" 1
2190 1 89 GLU HB3 1 90 ARG H . . 3.980 3.419 3.077 4.057 0.077 18 0 "[ . 1 . 2]" 1
2191 1 89 GLU HG2 1 90 ARG H . . 4.910 4.787 4.414 5.003 0.093 18 0 "[ . 1 . 2]" 1
2192 1 89 GLU HG3 1 90 ARG H . . 5.200 4.486 3.918 5.003 . 0 0 "[ . 1 . 2]" 1
2193 1 90 ARG H 1 90 ARG HB2 . . 3.560 2.531 1.980 3.012 . 0 0 "[ . 1 . 2]" 1
2194 1 90 ARG H 1 90 ARG HB3 . . 3.620 3.581 3.297 3.719 0.099 18 0 "[ . 1 . 2]" 1
2195 1 90 ARG H 1 90 ARG QD . . 5.400 2.770 1.712 4.704 . 0 0 "[ . 1 . 2]" 1
2196 1 90 ARG H 1 90 ARG QG . . 3.810 2.906 1.843 3.496 . 0 0 "[ . 1 . 2]" 1
2197 1 90 ARG H 1 91 VAL H . . 3.440 2.579 1.662 2.826 . 0 0 "[ . 1 . 2]" 1
2198 1 90 ARG H 1 91 VAL HB . . 4.860 4.499 4.288 4.972 0.112 18 0 "[ . 1 . 2]" 1
2199 1 90 ARG H 1 91 VAL QG . . 5.500 4.605 3.333 4.824 . 0 0 "[ . 1 . 2]" 1
2200 1 90 ARG H 1 92 VAL H . . 5.120 4.282 3.278 4.604 . 0 0 "[ . 1 . 2]" 1
2201 1 90 ARG H 1 92 VAL QG . . 5.500 4.909 4.271 5.276 . 0 0 "[ . 1 . 2]" 1
2202 1 90 ARG HA 1 90 ARG QD . . 3.650 2.935 2.634 3.415 . 0 0 "[ . 1 . 2]" 1
2203 1 90 ARG HA 1 90 ARG HE . . 5.500 4.385 2.152 5.560 0.060 16 0 "[ . 1 . 2]" 1
2204 1 90 ARG HA 1 90 ARG QG . . 3.790 2.655 2.209 3.420 . 0 0 "[ . 1 . 2]" 1
2205 1 90 ARG HA 1 92 VAL H . . 5.500 4.653 4.392 5.016 . 0 0 "[ . 1 . 2]" 1
2206 1 90 ARG HA 1 93 GLU H . . 4.530 3.469 3.038 3.850 . 0 0 "[ . 1 . 2]" 1
2207 1 90 ARG HA 1 93 GLU HB2 . . 3.690 3.180 2.135 3.767 0.077 19 0 "[ . 1 . 2]" 1
2208 1 90 ARG HA 1 93 GLU HG2 . . 5.080 4.511 2.679 5.160 0.080 9 0 "[ . 1 . 2]" 1
2209 1 90 ARG HA 1 93 GLU HG3 . . 5.030 4.636 3.866 5.145 0.115 15 0 "[ . 1 . 2]" 1
2210 1 90 ARG HA 1 94 GLN H . . 4.850 3.800 3.528 4.185 . 0 0 "[ . 1 . 2]" 1
2211 1 90 ARG HB2 1 90 ARG HE . . 5.500 4.303 3.121 4.853 . 0 0 "[ . 1 . 2]" 1
2212 1 90 ARG HB2 1 91 VAL H . . 3.900 2.660 2.220 3.015 . 0 0 "[ . 1 . 2]" 1
2213 1 90 ARG HB3 1 90 ARG HE . . 5.090 4.053 2.404 4.988 . 0 0 "[ . 1 . 2]" 1
2214 1 90 ARG HB3 1 91 VAL H . . 4.060 3.596 2.957 4.011 . 0 0 "[ . 1 . 2]" 1
2215 1 90 ARG HB3 1 91 VAL HA . . 5.170 4.324 3.955 4.745 . 0 0 "[ . 1 . 2]" 1
2216 1 90 ARG QD 1 91 VAL H . . 5.220 4.400 3.915 5.023 . 0 0 "[ . 1 . 2]" 1
2217 1 90 ARG QG 1 91 VAL H . . 5.280 4.122 3.120 4.691 . 0 0 "[ . 1 . 2]" 1
2218 1 91 VAL H 1 91 VAL HB . . 3.330 2.158 2.023 3.424 0.094 18 0 "[ . 1 . 2]" 1
2219 1 91 VAL H 1 91 VAL QG . . 3.360 2.883 2.358 2.973 . 0 0 "[ . 1 . 2]" 1
2220 1 91 VAL H 1 92 VAL H . . 3.300 2.809 2.694 2.938 . 0 0 "[ . 1 . 2]" 1
2221 1 91 VAL H 1 92 VAL HA . . 5.310 5.366 5.247 5.398 0.088 16 0 "[ . 1 . 2]" 1
2222 1 91 VAL HA 1 91 VAL QG . . 3.280 2.097 2.042 2.143 . 0 0 "[ . 1 . 2]" 1
2223 1 91 VAL HA 1 94 GLN H . . 4.130 3.634 3.383 3.855 . 0 0 "[ . 1 . 2]" 1
2224 1 91 VAL HA 1 94 GLN QB . . 3.970 2.972 2.802 3.242 . 0 0 "[ . 1 . 2]" 1
2225 1 91 VAL HA 1 94 GLN HG3 . . 5.080 3.670 3.103 4.281 . 0 0 "[ . 1 . 2]" 1
2226 1 91 VAL HA 1 95 MET H . . 5.070 4.108 3.494 4.298 . 0 0 "[ . 1 . 2]" 1
2227 1 91 VAL HB 1 92 VAL H . . 3.630 3.405 3.231 3.652 0.022 18 0 "[ . 1 . 2]" 1
2228 1 91 VAL HB 1 92 VAL QG . . 5.190 4.084 3.868 4.346 . 0 0 "[ . 1 . 2]" 1
2229 1 91 VAL QG 1 92 VAL H . . 3.520 2.406 2.273 2.635 . 0 0 "[ . 1 . 2]" 1
2230 1 91 VAL QG 1 92 VAL HA . . 3.670 3.256 3.128 3.522 . 0 0 "[ . 1 . 2]" 1
2231 1 91 VAL QG 1 92 VAL QG . . 4.040 2.211 2.038 2.610 . 0 0 "[ . 1 . 2]" 1
2232 1 91 VAL QG 1 94 GLN H . . 5.500 4.616 4.434 4.753 . 0 0 "[ . 1 . 2]" 1
2233 1 91 VAL QG 1 94 GLN QB . . 5.500 3.864 3.669 4.082 . 0 0 "[ . 1 . 2]" 1
2234 1 91 VAL QG 1 95 MET H . . 4.900 4.296 4.092 4.427 . 0 0 "[ . 1 . 2]" 1
2235 1 91 VAL QG 1 95 MET ME . . 3.130 2.688 2.217 3.166 0.036 17 0 "[ . 1 . 2]" 1
2236 1 91 VAL QG 1 95 MET HG2 . . 5.500 4.646 4.258 4.907 . 0 0 "[ . 1 . 2]" 1
2237 1 91 VAL QG 1 95 MET HG3 . . 4.520 3.618 3.111 4.146 . 0 0 "[ . 1 . 2]" 1
2238 1 92 VAL H 1 92 VAL HB . . 3.320 2.651 2.163 3.414 0.094 14 0 "[ . 1 . 2]" 1
2239 1 92 VAL H 1 92 VAL QG . . 3.250 2.155 1.876 2.322 . 0 0 "[ . 1 . 2]" 1
2240 1 92 VAL H 1 93 GLU H . . 3.720 2.685 2.590 2.769 . 0 0 "[ . 1 . 2]" 1
2241 1 92 VAL H 1 94 GLN H . . 5.170 4.306 4.204 4.536 . 0 0 "[ . 1 . 2]" 1
2242 1 92 VAL H 1 95 MET H . . 5.500 4.808 4.663 4.941 . 0 0 "[ . 1 . 2]" 1
2243 1 92 VAL H 1 95 MET ME . . 5.500 4.414 3.968 4.984 . 0 0 "[ . 1 . 2]" 1
2244 1 92 VAL HA 1 92 VAL QG . . 3.180 2.234 2.056 2.596 . 0 0 "[ . 1 . 2]" 1
2245 1 92 VAL HA 1 94 GLN H . . 5.270 4.505 4.367 4.697 . 0 0 "[ . 1 . 2]" 1
2246 1 92 VAL HA 1 95 MET H . . 3.950 3.407 3.137 3.592 . 0 0 "[ . 1 . 2]" 1
2247 1 92 VAL HA 1 95 MET HB2 . . 3.570 2.616 2.303 2.856 . 0 0 "[ . 1 . 2]" 1
2248 1 92 VAL HA 1 95 MET HB3 . . 4.410 4.249 3.809 4.487 0.077 17 0 "[ . 1 . 2]" 1
2249 1 92 VAL HA 1 95 MET ME . . 2.920 2.586 2.063 3.000 0.080 17 0 "[ . 1 . 2]" 1
2250 1 92 VAL HA 1 95 MET HG3 . . 4.640 4.170 3.585 4.686 0.046 4 0 "[ . 1 . 2]" 1
2251 1 92 VAL HB 1 93 GLU H . . 3.940 3.122 2.500 4.041 0.101 7 0 "[ . 1 . 2]" 1
2252 1 92 VAL QG 1 93 GLU H . . 4.070 2.983 2.298 3.377 . 0 0 "[ . 1 . 2]" 1
2253 1 92 VAL QG 1 94 GLN H . . 5.500 4.687 4.472 4.848 . 0 0 "[ . 1 . 2]" 1
2254 1 92 VAL QG 1 95 MET H . . 5.030 4.472 4.167 4.603 . 0 0 "[ . 1 . 2]" 1
2255 1 92 VAL QG 1 95 MET ME . . 3.790 3.001 2.654 3.514 . 0 0 "[ . 1 . 2]" 1
2256 1 92 VAL QG 1 96 CYS H . . 5.050 3.891 3.491 4.531 . 0 0 "[ . 1 . 2]" 1
2257 1 93 GLU H 1 93 GLU HB2 . . 3.260 2.509 2.130 3.295 0.035 19 0 "[ . 1 . 2]" 1
2258 1 93 GLU H 1 93 GLU HB3 . . 3.360 2.594 2.100 3.428 0.068 14 0 "[ . 1 . 2]" 1
2259 1 93 GLU H 1 93 GLU HG2 . . 4.280 4.286 3.621 4.460 0.180 15 0 "[ . 1 . 2]" 1
2260 1 93 GLU H 1 94 GLN H . . 3.630 2.949 2.841 3.173 . 0 0 "[ . 1 . 2]" 1
2261 1 93 GLU HA 1 93 GLU HG2 . . 3.790 2.927 2.152 3.833 0.043 19 0 "[ . 1 . 2]" 1
2262 1 93 GLU HA 1 93 GLU HG3 . . 3.680 2.875 2.286 3.498 . 0 0 "[ . 1 . 2]" 1
2263 1 93 GLU HA 1 96 CYS H . . 4.720 3.634 3.337 3.947 . 0 0 "[ . 1 . 2]" 1
2264 1 93 GLU HA 1 96 CYS HB3 . . 4.670 3.571 2.626 4.399 . 0 0 "[ . 1 . 2]" 1
2265 1 93 GLU HA 1 97 VAL H . . 4.600 4.061 3.851 4.283 . 0 0 "[ . 1 . 2]" 1
2266 1 93 GLU HB2 1 93 GLU HG3 . . 2.400 2.392 2.196 2.595 0.195 15 0 "[ . 1 . 2]" 1
2267 1 93 GLU HB2 1 94 GLN H . . 4.230 3.730 2.829 4.159 . 0 0 "[ . 1 . 2]" 1
2268 1 93 GLU HG2 1 94 GLN H . . 4.870 3.689 2.438 4.908 0.038 12 0 "[ . 1 . 2]" 1
2269 1 93 GLU HG2 1 94 GLN HA . . 5.500 4.004 2.884 5.579 0.079 14 0 "[ . 1 . 2]" 1
2270 1 93 GLU HG3 1 94 GLN H . . 5.080 4.556 3.502 5.132 0.052 4 0 "[ . 1 . 2]" 1
2271 1 94 GLN H 1 94 GLN QB . . 3.310 2.324 2.208 2.428 . 0 0 "[ . 1 . 2]" 1
2272 1 94 GLN H 1 94 GLN HE21 . . 5.280 4.547 3.513 5.346 0.066 3 0 "[ . 1 . 2]" 1
2273 1 94 GLN H 1 94 GLN HG2 . . 3.750 2.434 2.237 3.029 . 0 0 "[ . 1 . 2]" 1
2274 1 94 GLN H 1 94 GLN HG3 . . 3.790 3.421 2.932 3.682 . 0 0 "[ . 1 . 2]" 1
2275 1 94 GLN H 1 95 MET H . . 3.580 2.785 2.595 2.965 . 0 0 "[ . 1 . 2]" 1
2276 1 94 GLN H 1 95 MET HG3 . . 5.500 4.824 4.650 5.065 . 0 0 "[ . 1 . 2]" 1
2277 1 94 GLN H 1 96 CYS H . . 4.790 4.105 3.959 4.359 . 0 0 "[ . 1 . 2]" 1
2278 1 94 GLN H 1 97 VAL H . . 5.500 4.625 4.483 4.882 . 0 0 "[ . 1 . 2]" 1
2279 1 94 GLN H 1 97 VAL QG . . 5.130 4.440 3.638 4.853 . 0 0 "[ . 1 . 2]" 1
2280 1 94 GLN HA 1 94 GLN HE21 . . 5.110 3.537 1.886 5.182 0.072 12 0 "[ . 1 . 2]" 1
2281 1 94 GLN HA 1 94 GLN HG2 . . 3.670 2.827 2.388 3.077 . 0 0 "[ . 1 . 2]" 1
2282 1 94 GLN HA 1 94 GLN HG3 . . 3.780 3.783 3.620 3.856 0.076 15 0 "[ . 1 . 2]" 1
2283 1 94 GLN HA 1 96 CYS H . . 5.100 4.453 4.267 4.631 . 0 0 "[ . 1 . 2]" 1
2284 1 94 GLN HA 1 97 VAL H . . 3.660 3.386 2.923 3.723 0.063 15 0 "[ . 1 . 2]" 1
2285 1 94 GLN HA 1 97 VAL HB . . 3.670 2.758 2.130 3.778 0.108 12 0 "[ . 1 . 2]" 1
2286 1 94 GLN HA 1 97 VAL QG . . 3.730 2.899 1.793 3.465 . 0 0 "[ . 1 . 2]" 1
2287 1 94 GLN HA 1 98 THR H . . 4.670 4.436 4.072 4.737 0.067 19 0 "[ . 1 . 2]" 1
2288 1 94 GLN QB 1 95 MET H . . 3.720 2.502 2.238 3.206 . 0 0 "[ . 1 . 2]" 1
2289 1 94 GLN QB 1 96 CYS H . . 5.180 4.626 4.329 5.099 . 0 0 "[ . 1 . 2]" 1
2290 1 94 GLN HE21 1 97 VAL QG . . 5.500 4.415 3.574 4.971 . 0 0 "[ . 1 . 2]" 1
2291 1 94 GLN HE22 1 97 VAL QG . . 5.230 4.478 3.970 4.848 . 0 0 "[ . 1 . 2]" 1
2292 1 94 GLN HG2 1 97 VAL QG . . 5.500 4.554 2.877 5.300 . 0 0 "[ . 1 . 2]" 1
2293 1 94 GLN HG3 1 95 MET H . . 4.960 4.787 4.545 5.032 0.072 5 0 "[ . 1 . 2]" 1
2294 1 95 MET H 1 95 MET HB2 . . 3.570 2.344 2.089 2.470 . 0 0 "[ . 1 . 2]" 1
2295 1 95 MET H 1 95 MET HB3 . . 3.900 3.574 3.420 3.653 . 0 0 "[ . 1 . 2]" 1
2296 1 95 MET H 1 95 MET ME . . 3.890 3.862 3.584 3.990 0.100 13 0 "[ . 1 . 2]" 1
2297 1 95 MET H 1 95 MET HG2 . . 4.120 3.594 3.302 4.110 . 0 0 "[ . 1 . 2]" 1
2298 1 95 MET H 1 95 MET HG3 . . 3.820 2.474 2.220 2.870 . 0 0 "[ . 1 . 2]" 1
2299 1 95 MET H 1 96 CYS H . . 3.630 2.671 2.386 2.881 . 0 0 "[ . 1 . 2]" 1
2300 1 95 MET H 1 96 CYS HA . . 5.500 5.301 5.029 5.453 . 0 0 "[ . 1 . 2]" 1
2301 1 95 MET H 1 98 THR H . . 5.220 4.919 4.684 5.104 . 0 0 "[ . 1 . 2]" 1
2302 1 95 MET HA 1 95 MET HG2 . . 3.650 2.402 2.201 2.839 . 0 0 "[ . 1 . 2]" 1
2303 1 95 MET HA 1 95 MET HG3 . . 4.310 2.891 2.448 3.145 . 0 0 "[ . 1 . 2]" 1
2304 1 95 MET HA 1 98 THR H . . 4.100 3.389 3.179 3.761 . 0 0 "[ . 1 . 2]" 1
2305 1 95 MET HA 1 98 THR HB . . 2.910 2.839 2.347 2.984 0.074 5 0 "[ . 1 . 2]" 1
2306 1 95 MET HA 1 98 THR MG . . 4.410 4.109 3.702 4.317 . 0 0 "[ . 1 . 2]" 1
2307 1 95 MET HA 1 99 GLN H . . 4.960 4.154 3.949 4.462 . 0 0 "[ . 1 . 2]" 1
2308 1 95 MET HB2 1 95 MET ME . . 3.040 2.211 2.133 2.302 . 0 0 "[ . 1 . 2]" 1
2309 1 95 MET HB2 1 96 CYS H . . 4.000 2.881 2.705 3.014 . 0 0 "[ . 1 . 2]" 1
2310 1 95 MET HB2 1 96 CYS HB2 . . 5.440 4.670 3.985 5.492 0.052 15 0 "[ . 1 . 2]" 1
2311 1 95 MET HB3 1 96 CYS H . . 4.470 3.710 3.396 3.945 . 0 0 "[ . 1 . 2]" 1
2312 1 95 MET ME 1 95 MET HG3 . . 3.750 2.971 2.596 3.429 . 0 0 "[ . 1 . 2]" 1
2313 1 95 MET ME 1 96 CYS H . . 4.530 4.539 4.374 4.628 0.098 19 0 "[ . 1 . 2]" 1
2314 1 95 MET HG2 1 96 CYS H . . 5.500 5.115 4.943 5.325 . 0 0 "[ . 1 . 2]" 1
2315 1 96 CYS H 1 96 CYS HB2 . . 3.390 2.322 2.116 2.639 . 0 0 "[ . 1 . 2]" 1
2316 1 96 CYS H 1 96 CYS HB3 . . 3.900 3.173 2.390 3.626 . 0 0 "[ . 1 . 2]" 1
2317 1 96 CYS H 1 97 VAL H . . 3.180 2.676 2.493 2.826 . 0 0 "[ . 1 . 2]" 1
2318 1 96 CYS H 1 97 VAL QG . . 4.570 4.306 3.915 4.469 . 0 0 "[ . 1 . 2]" 1
2319 1 96 CYS H 1 98 THR H . . 4.750 4.180 3.928 4.406 . 0 0 "[ . 1 . 2]" 1
2320 1 96 CYS HA 1 97 VAL QG . . 5.360 4.917 4.593 5.020 . 0 0 "[ . 1 . 2]" 1
2321 1 96 CYS HA 1 98 THR H . . 5.500 4.201 3.727 4.485 . 0 0 "[ . 1 . 2]" 1
2322 1 96 CYS HA 1 99 GLN H . . 4.160 2.932 2.561 3.335 . 0 0 "[ . 1 . 2]" 1
2323 1 96 CYS HA 1 99 GLN HB2 . . 4.570 2.535 2.093 3.067 . 0 0 "[ . 1 . 2]" 1
2324 1 96 CYS HA 1 99 GLN HB3 . . 4.090 2.854 2.270 3.569 . 0 0 "[ . 1 . 2]" 1
2325 1 96 CYS HA 1 100 TYR H . . 5.160 3.479 3.020 4.071 . 0 0 "[ . 1 . 2]" 1
2326 1 96 CYS HB2 1 97 VAL H . . 4.300 3.475 2.559 4.099 . 0 0 "[ . 1 . 2]" 1
2327 1 96 CYS HB3 1 97 VAL H . . 4.660 3.329 2.645 3.720 . 0 0 "[ . 1 . 2]" 1
2328 1 96 CYS HB3 1 97 VAL QG . . 5.180 4.030 3.536 4.415 . 0 0 "[ . 1 . 2]" 1
2329 1 96 CYS HB3 1 98 THR H . . 5.500 5.415 5.115 5.579 0.079 2 0 "[ . 1 . 2]" 1
2330 1 97 VAL H 1 97 VAL HB . . 3.330 2.367 2.118 3.398 0.068 12 0 "[ . 1 . 2]" 1
2331 1 97 VAL H 1 97 VAL QG . . 3.100 2.406 2.182 2.790 . 0 0 "[ . 1 . 2]" 1
2332 1 97 VAL H 1 98 THR H . . 3.490 2.741 2.624 2.900 . 0 0 "[ . 1 . 2]" 1
2333 1 97 VAL H 1 98 THR HB . . 4.800 4.757 4.389 4.871 0.071 15 0 "[ . 1 . 2]" 1
2334 1 97 VAL H 1 99 GLN H . . 5.330 4.230 4.093 4.372 . 0 0 "[ . 1 . 2]" 1
2335 1 97 VAL HA 1 97 VAL QG . . 3.120 2.171 2.009 2.274 . 0 0 "[ . 1 . 2]" 1
2336 1 97 VAL HA 1 99 GLN H . . 5.500 4.715 4.505 4.924 . 0 0 "[ . 1 . 2]" 1
2337 1 97 VAL HA 1 100 TYR H . . 4.320 3.692 3.263 4.005 . 0 0 "[ . 1 . 2]" 1
2338 1 97 VAL HA 1 100 TYR QB . . 3.910 2.756 2.188 3.172 . 0 0 "[ . 1 . 2]" 1
2339 1 97 VAL HA 1 100 TYR QD . . 4.610 3.897 2.944 4.465 . 0 0 "[ . 1 . 2]" 1
2340 1 97 VAL HA 1 101 GLN H . . 4.780 4.379 3.977 4.741 . 0 0 "[ . 1 . 2]" 1
2341 1 97 VAL HB 1 98 THR H . . 3.440 2.915 2.464 3.520 0.080 12 0 "[ . 1 . 2]" 1
2342 1 97 VAL HB 1 98 THR HB . . 5.240 5.131 4.875 5.332 0.092 17 0 "[ . 1 . 2]" 1
2343 1 97 VAL QG 1 98 THR H . . 3.760 3.070 1.927 3.553 . 0 0 "[ . 1 . 2]" 1
2344 1 97 VAL QG 1 98 THR HA . . 4.270 3.529 3.029 3.950 . 0 0 "[ . 1 . 2]" 1
2345 1 97 VAL QG 1 100 TYR H . . 5.500 4.661 4.316 4.901 . 0 0 "[ . 1 . 2]" 1
2346 1 97 VAL QG 1 100 TYR QD . . 4.610 3.924 2.679 4.355 . 0 0 "[ . 1 . 2]" 1
2347 1 97 VAL QG 1 101 GLN H . . 5.300 4.497 3.909 5.067 . 0 0 "[ . 1 . 2]" 1
2348 1 97 VAL QG 1 101 GLN QE . . 3.870 2.981 2.440 3.589 . 0 0 "[ . 1 . 2]" 1
2349 1 97 VAL QG 1 101 GLN HG2 . . 4.270 3.608 2.905 4.560 0.290 12 0 "[ . 1 . 2]" 1
2350 1 97 VAL QG 1 101 GLN HG3 . . 4.700 3.890 3.100 4.576 . 0 0 "[ . 1 . 2]" 1
2351 1 98 THR H 1 98 THR HB . . 3.340 2.357 2.013 2.560 . 0 0 "[ . 1 . 2]" 1
2352 1 98 THR H 1 98 THR MG . . 3.930 3.719 3.569 3.788 . 0 0 "[ . 1 . 2]" 1
2353 1 98 THR H 1 99 GLN H . . 3.760 2.769 2.320 2.942 . 0 0 "[ . 1 . 2]" 1
2354 1 98 THR H 1 99 GLN HA . . 5.400 5.329 4.912 5.468 0.068 1 0 "[ . 1 . 2]" 1
2355 1 98 THR H 1 100 TYR H . . 5.410 4.326 3.949 4.520 . 0 0 "[ . 1 . 2]" 1
2356 1 98 THR HA 1 98 THR MG . . 3.180 2.532 2.345 2.771 . 0 0 "[ . 1 . 2]" 1
2357 1 98 THR HA 1 101 GLN H . . 4.270 3.635 3.282 3.977 . 0 0 "[ . 1 . 2]" 1
2358 1 98 THR HA 1 101 GLN HB2 . . 3.850 3.434 2.982 3.918 0.068 10 0 "[ . 1 . 2]" 1
2359 1 98 THR HA 1 101 GLN QE . . 5.500 4.931 3.692 5.393 . 0 0 "[ . 1 . 2]" 1
2360 1 98 THR HA 1 101 GLN HG2 . . 4.630 3.529 2.419 4.502 . 0 0 "[ . 1 . 2]" 1
2361 1 98 THR HA 1 101 GLN HG3 . . 4.610 3.538 2.072 4.306 . 0 0 "[ . 1 . 2]" 1
2362 1 98 THR HA 1 102 LYS H . . 4.850 4.559 4.146 4.913 0.063 9 0 "[ . 1 . 2]" 1
2363 1 98 THR HA 1 102 LYS QE . . 4.770 4.677 4.169 4.855 0.085 17 0 "[ . 1 . 2]" 1
2364 1 98 THR HA 1 102 LYS HG3 . . 5.380 4.410 4.206 4.631 . 0 0 "[ . 1 . 2]" 1
2365 1 98 THR HB 1 99 GLN H . . 3.680 2.550 2.241 2.850 . 0 0 "[ . 1 . 2]" 1
2366 1 98 THR HB 1 99 GLN HA . . 5.220 4.439 4.123 4.961 . 0 0 "[ . 1 . 2]" 1
2367 1 98 THR HB 1 100 TYR H . . 5.500 5.177 4.870 5.406 . 0 0 "[ . 1 . 2]" 1
2368 1 98 THR MG 1 99 GLN H . . 4.100 3.109 2.705 3.675 . 0 0 "[ . 1 . 2]" 1
2369 1 98 THR MG 1 99 GLN HA . . 4.350 3.201 2.911 3.918 . 0 0 "[ . 1 . 2]" 1
2370 1 98 THR MG 1 99 GLN QG . . 5.420 4.385 3.677 5.232 . 0 0 "[ . 1 . 2]" 1
2371 1 98 THR MG 1 101 GLN H . . 5.500 4.759 4.500 4.968 . 0 0 "[ . 1 . 2]" 1
2372 1 98 THR MG 1 101 GLN HB2 . . 4.440 4.192 3.807 4.450 0.010 16 0 "[ . 1 . 2]" 1
2373 1 98 THR MG 1 101 GLN HG3 . . 5.390 5.037 4.087 5.473 0.083 5 0 "[ . 1 . 2]" 1
2374 1 98 THR MG 1 102 LYS H . . 4.930 4.278 4.053 4.459 . 0 0 "[ . 1 . 2]" 1
2375 1 98 THR MG 1 102 LYS HA . . 5.500 5.532 5.264 5.605 0.105 12 0 "[ . 1 . 2]" 1
2376 1 98 THR MG 1 102 LYS HB2 . . 4.740 4.585 4.303 4.824 0.084 5 0 "[ . 1 . 2]" 1
2377 1 98 THR MG 1 102 LYS QD . . 3.670 3.313 2.518 3.776 0.106 15 0 "[ . 1 . 2]" 1
2378 1 98 THR MG 1 102 LYS QE . . 3.820 2.130 1.900 2.387 . 0 0 "[ . 1 . 2]" 1
2379 1 98 THR MG 1 102 LYS HG2 . . 4.130 3.892 3.595 4.178 0.048 12 0 "[ . 1 . 2]" 1
2380 1 99 GLN H 1 99 GLN HB2 . . 3.820 2.153 2.026 2.362 . 0 0 "[ . 1 . 2]" 1
2381 1 99 GLN H 1 99 GLN HB3 . . 3.960 3.055 2.639 3.453 . 0 0 "[ . 1 . 2]" 1
2382 1 99 GLN H 1 100 TYR H . . 3.990 2.886 2.712 3.039 . 0 0 "[ . 1 . 2]" 1
2383 1 99 GLN H 1 101 GLN H . . 5.440 4.402 4.211 4.625 . 0 0 "[ . 1 . 2]" 1
2384 1 99 GLN HA 1 99 GLN QE . . 4.960 3.145 2.616 3.679 . 0 0 "[ . 1 . 2]" 1
2385 1 99 GLN HA 1 102 LYS H . . 3.950 3.314 3.103 3.553 . 0 0 "[ . 1 . 2]" 1
2386 1 99 GLN HA 1 102 LYS HA . . 5.500 5.305 5.109 5.511 0.011 17 0 "[ . 1 . 2]" 1
2387 1 99 GLN HA 1 102 LYS HB2 . . 3.700 2.764 2.404 3.012 . 0 0 "[ . 1 . 2]" 1
2388 1 99 GLN HA 1 102 LYS HB3 . . 4.380 4.342 4.019 4.452 0.072 9 0 "[ . 1 . 2]" 1
2389 1 99 GLN HA 1 102 LYS QD . . 4.080 3.111 2.265 3.967 . 0 0 "[ . 1 . 2]" 1
2390 1 99 GLN HA 1 102 LYS QE . . 5.140 3.776 1.937 4.399 . 0 0 "[ . 1 . 2]" 1
2391 1 99 GLN HA 1 102 LYS HG2 . . 5.340 4.477 4.025 4.975 . 0 0 "[ . 1 . 2]" 1
2392 1 99 GLN HA 1 102 LYS HG3 . . 4.990 2.861 2.289 3.406 . 0 0 "[ . 1 . 2]" 1
2393 1 99 GLN HA 1 103 GLU H . . 4.920 4.052 3.801 4.330 . 0 0 "[ . 1 . 2]" 1
2394 1 99 GLN HB2 1 100 TYR H . . 5.290 3.527 3.096 3.868 . 0 0 "[ . 1 . 2]" 1
2395 1 99 GLN HB3 1 100 TYR H . . 4.390 2.808 2.402 3.226 . 0 0 "[ . 1 . 2]" 1
2396 1 99 GLN HB3 1 100 TYR HA . . 5.010 4.136 3.938 4.392 . 0 0 "[ . 1 . 2]" 1
2397 1 99 GLN QE 1 102 LYS HB3 . . 5.500 3.711 3.234 4.497 . 0 0 "[ . 1 . 2]" 1
2398 1 99 GLN QE 1 102 LYS QD . . 4.540 2.994 2.314 3.988 . 0 0 "[ . 1 . 2]" 1
2399 1 99 GLN QE 1 102 LYS QE . . 5.000 4.434 2.406 4.866 . 0 0 "[ . 1 . 2]" 1
2400 1 99 GLN QE 1 103 GLU HG2 . . 4.970 3.011 2.041 4.505 . 0 0 "[ . 1 . 2]" 1
2401 1 99 GLN QE 1 103 GLU HG3 . . 4.860 4.065 3.276 4.603 . 0 0 "[ . 1 . 2]" 1
2402 1 100 TYR H 1 100 TYR QB . . 3.550 2.232 2.110 2.323 . 0 0 "[ . 1 . 2]" 1
2403 1 100 TYR H 1 100 TYR QD . . 4.740 4.190 4.044 4.282 . 0 0 "[ . 1 . 2]" 1
2404 1 100 TYR H 1 101 GLN H . . 3.820 2.943 2.851 3.041 . 0 0 "[ . 1 . 2]" 1
2405 1 100 TYR H 1 101 GLN HG2 . . 5.220 4.692 4.410 5.058 . 0 0 "[ . 1 . 2]" 1
2406 1 100 TYR H 1 102 LYS H . . 4.900 4.264 4.086 4.413 . 0 0 "[ . 1 . 2]" 1
2407 1 100 TYR HA 1 103 GLU H . . 4.780 3.692 3.357 3.959 . 0 0 "[ . 1 . 2]" 1
2408 1 100 TYR HA 1 104 SER H . . 4.820 3.730 3.493 4.009 . 0 0 "[ . 1 . 2]" 1
2409 1 100 TYR QB 1 101 GLN H . . 4.000 2.581 2.427 2.768 . 0 0 "[ . 1 . 2]" 1
2410 1 100 TYR QD 1 101 GLN H . . 4.300 3.403 3.031 3.901 . 0 0 "[ . 1 . 2]" 1
2411 1 100 TYR QD 1 101 GLN HA . . 4.680 3.720 2.885 4.203 . 0 0 "[ . 1 . 2]" 1
2412 1 100 TYR QD 1 101 GLN HG2 . . 4.900 3.171 2.210 4.120 . 0 0 "[ . 1 . 2]" 1
2413 1 100 TYR QD 1 101 GLN HG3 . . 4.950 4.531 3.811 5.039 0.089 3 0 "[ . 1 . 2]" 1
2414 1 100 TYR QE 1 101 GLN HA . . 5.240 4.416 3.865 4.722 . 0 0 "[ . 1 . 2]" 1
2415 1 100 TYR QE 1 101 GLN QE . . 5.030 3.244 2.567 4.533 . 0 0 "[ . 1 . 2]" 1
2416 1 100 TYR QE 1 104 SER H . . 5.230 4.979 4.368 5.292 0.062 8 0 "[ . 1 . 2]" 1
2417 1 100 TYR QE 1 104 SER HB2 . . 5.190 3.536 2.869 4.974 . 0 0 "[ . 1 . 2]" 1
2418 1 101 GLN H 1 101 GLN HB2 . . 3.520 2.665 2.491 2.878 . 0 0 "[ . 1 . 2]" 1
2419 1 101 GLN H 1 101 GLN HB3 . . 3.820 3.647 3.602 3.684 . 0 0 "[ . 1 . 2]" 1
2420 1 101 GLN H 1 101 GLN QE . . 5.500 4.047 3.125 4.672 . 0 0 "[ . 1 . 2]" 1
2421 1 101 GLN H 1 101 GLN HG2 . . 3.670 2.219 2.088 2.357 . 0 0 "[ . 1 . 2]" 1
2422 1 101 GLN H 1 101 GLN HG3 . . 4.100 3.424 2.402 3.770 . 0 0 "[ . 1 . 2]" 1
2423 1 101 GLN H 1 102 LYS H . . 3.650 2.696 2.552 2.882 . 0 0 "[ . 1 . 2]" 1
2424 1 101 GLN H 1 102 LYS HA . . 5.500 5.332 5.210 5.460 . 0 0 "[ . 1 . 2]" 1
2425 1 101 GLN H 1 103 GLU H . . 5.500 4.524 4.101 4.882 . 0 0 "[ . 1 . 2]" 1
2426 1 101 GLN HA 1 101 GLN QE . . 5.500 4.069 3.591 4.777 . 0 0 "[ . 1 . 2]" 1
2427 1 101 GLN HA 1 101 GLN HG2 . . 3.870 3.115 2.684 3.547 . 0 0 "[ . 1 . 2]" 1
2428 1 101 GLN HA 1 101 GLN HG3 . . 3.770 3.809 3.710 3.845 0.075 18 0 "[ . 1 . 2]" 1
2429 1 101 GLN HA 1 104 SER H . . 4.620 3.593 3.195 3.868 . 0 0 "[ . 1 . 2]" 1
2430 1 101 GLN HA 1 104 SER HB2 . . 4.280 3.374 2.664 4.472 0.192 7 0 "[ . 1 . 2]" 1
2431 1 101 GLN HA 1 104 SER HB3 . . 4.420 2.859 2.112 4.342 . 0 0 "[ . 1 . 2]" 1
2432 1 101 GLN HA 1 105 GLN H . . 4.860 3.877 3.538 4.175 . 0 0 "[ . 1 . 2]" 1
2433 1 101 GLN HB2 1 102 LYS H . . 3.890 2.812 2.488 3.112 . 0 0 "[ . 1 . 2]" 1
2434 1 101 GLN HB3 1 101 GLN HG3 . . 2.980 2.547 2.343 2.946 . 0 0 "[ . 1 . 2]" 1
2435 1 101 GLN HB3 1 102 LYS H . . 4.040 3.894 3.618 4.114 0.074 5 0 "[ . 1 . 2]" 1
2436 1 101 GLN HG2 1 102 LYS H . . 5.210 4.326 3.826 4.632 . 0 0 "[ . 1 . 2]" 1
2437 1 101 GLN HG3 1 102 LYS H . . 5.300 4.885 3.889 5.363 0.063 6 0 "[ . 1 . 2]" 1
2438 1 102 LYS H 1 102 LYS HB2 . . 3.350 2.584 2.485 2.752 . 0 0 "[ . 1 . 2]" 1
2439 1 102 LYS H 1 102 LYS HB3 . . 3.610 3.638 3.593 3.671 0.061 5 0 "[ . 1 . 2]" 1
2440 1 102 LYS H 1 102 LYS QD . . 4.350 4.104 3.692 4.302 . 0 0 "[ . 1 . 2]" 1
2441 1 102 LYS H 1 102 LYS QE . . 4.440 4.394 3.632 4.521 0.081 19 0 "[ . 1 . 2]" 1
2442 1 102 LYS H 1 102 LYS HG2 . . 3.840 3.241 2.731 3.580 . 0 0 "[ . 1 . 2]" 1
2443 1 102 LYS H 1 102 LYS HG3 . . 4.300 2.397 2.199 2.597 . 0 0 "[ . 1 . 2]" 1
2444 1 102 LYS H 1 103 GLU H . . 3.590 2.796 2.622 3.017 . 0 0 "[ . 1 . 2]" 1
2445 1 102 LYS H 1 104 SER H . . 5.400 4.037 3.760 4.457 . 0 0 "[ . 1 . 2]" 1
2446 1 102 LYS HA 1 102 LYS QE . . 4.510 4.527 4.408 4.607 0.097 6 0 "[ . 1 . 2]" 1
2447 1 102 LYS HA 1 102 LYS HG2 . . 4.040 2.414 2.246 2.628 . 0 0 "[ . 1 . 2]" 1
2448 1 102 LYS HA 1 102 LYS HG3 . . 3.840 3.264 2.890 3.531 . 0 0 "[ . 1 . 2]" 1
2449 1 102 LYS HA 1 105 GLN H . . 4.030 3.808 3.424 4.090 0.060 16 0 "[ . 1 . 2]" 1
2450 1 102 LYS HB2 1 103 GLU H . . 3.860 2.462 2.250 2.801 . 0 0 "[ . 1 . 2]" 1
2451 1 102 LYS HB3 1 103 GLU H . . 3.880 3.483 3.288 3.745 . 0 0 "[ . 1 . 2]" 1
2452 1 102 LYS QE 1 102 LYS HG3 . . 3.270 2.349 2.099 2.612 . 0 0 "[ . 1 . 2]" 1
2453 1 103 GLU H 1 103 GLU HB2 . . 3.830 2.359 2.033 2.769 . 0 0 "[ . 1 . 2]" 1
2454 1 103 GLU H 1 103 GLU HB3 . . 4.190 3.525 3.265 3.676 . 0 0 "[ . 1 . 2]" 1
2455 1 103 GLU H 1 103 GLU HG2 . . 3.970 2.808 2.126 3.777 . 0 0 "[ . 1 . 2]" 1
2456 1 103 GLU H 1 103 GLU HG3 . . 4.200 3.879 3.268 4.269 0.069 10 0 "[ . 1 . 2]" 1
2457 1 103 GLU H 1 104 SER H . . 3.610 2.702 2.478 2.852 . 0 0 "[ . 1 . 2]" 1
2458 1 103 GLU H 1 104 SER HA . . 5.480 5.303 5.091 5.461 . 0 0 "[ . 1 . 2]" 1
2459 1 103 GLU H 1 105 GLN H . . 5.070 4.430 4.113 4.804 . 0 0 "[ . 1 . 2]" 1
2460 1 103 GLU H 1 106 ALA MB . . 5.500 4.838 4.634 5.355 . 0 0 "[ . 1 . 2]" 1
2461 1 103 GLU HA 1 103 GLU HG2 . . 4.070 2.969 2.157 3.653 . 0 0 "[ . 1 . 2]" 1
2462 1 103 GLU HA 1 106 ALA H . . 3.910 3.339 2.869 3.794 . 0 0 "[ . 1 . 2]" 1
2463 1 103 GLU HA 1 106 ALA MB . . 3.370 2.574 2.232 3.287 . 0 0 "[ . 1 . 2]" 1
2464 1 103 GLU HB2 1 104 SER H . . 4.180 2.828 2.330 3.293 . 0 0 "[ . 1 . 2]" 1
2465 1 103 GLU HB3 1 104 SER H . . 4.910 3.461 2.497 3.824 . 0 0 "[ . 1 . 2]" 1
2466 1 103 GLU HB3 1 106 ALA MB . . 4.890 4.284 3.569 4.968 0.078 3 0 "[ . 1 . 2]" 1
2467 1 104 SER H 1 104 SER HB2 . . 3.780 2.632 2.203 3.638 . 0 0 "[ . 1 . 2]" 1
2468 1 104 SER H 1 104 SER HB3 . . 3.790 2.718 2.353 3.658 . 0 0 "[ . 1 . 2]" 1
2469 1 104 SER H 1 105 GLN H . . 3.600 2.925 2.696 3.267 . 0 0 "[ . 1 . 2]" 1
2470 1 104 SER H 1 106 ALA H . . 5.460 4.123 3.857 4.416 . 0 0 "[ . 1 . 2]" 1
2471 1 104 SER H 1 106 ALA MB . . 5.500 4.898 4.614 5.269 . 0 0 "[ . 1 . 2]" 1
2472 1 104 SER HA 1 106 ALA H . . 5.500 4.196 3.974 4.450 . 0 0 "[ . 1 . 2]" 1
2473 1 104 SER HA 1 107 TYR H . . 4.050 3.334 3.051 3.609 . 0 0 "[ . 1 . 2]" 1
2474 1 104 SER HA 1 107 TYR HB2 . . 4.100 3.915 3.602 4.170 0.070 1 0 "[ . 1 . 2]" 1
2475 1 104 SER HA 1 107 TYR HB3 . . 3.790 2.386 2.075 2.676 . 0 0 "[ . 1 . 2]" 1
2476 1 104 SER HA 1 107 TYR QD . . 3.970 2.708 2.148 3.134 . 0 0 "[ . 1 . 2]" 1
2477 1 104 SER HA 1 107 TYR QR . . 4.600 2.688 2.140 3.095 . 0 0 "[ . 1 . 2]" 1
2478 1 104 SER HA 1 107 TYR QE . . 4.700 4.584 4.062 4.786 0.086 15 0 "[ . 1 . 2]" 1
2479 1 104 SER HA 1 108 TYR H . . 4.660 3.772 3.554 4.105 . 0 0 "[ . 1 . 2]" 1
2480 1 104 SER HA 1 108 TYR QD . . 5.020 4.090 3.560 4.669 . 0 0 "[ . 1 . 2]" 1
2481 1 104 SER HB2 1 105 GLN H . . 4.150 3.755 2.582 4.047 . 0 0 "[ . 1 . 2]" 1
2482 1 104 SER HB3 1 105 GLN H . . 4.210 2.967 2.465 4.088 . 0 0 "[ . 1 . 2]" 1
2483 1 104 SER HB3 1 108 TYR QD . . 4.780 4.125 3.181 4.780 . 0 0 "[ . 1 . 2]" 1
2484 1 105 GLN H 1 105 GLN HB2 . . 3.430 2.288 1.942 3.517 0.087 17 0 "[ . 1 . 2]" 1
2485 1 105 GLN H 1 105 GLN HB3 . . 3.200 3.028 2.073 3.424 0.224 8 0 "[ . 1 . 2]" 1
2486 1 105 GLN H 1 105 GLN HE21 . . 4.570 4.593 4.452 4.661 0.091 1 0 "[ . 1 . 2]" 1
2487 1 105 GLN H 1 105 GLN HG2 . . 3.840 3.451 2.116 4.225 0.385 12 0 "[ . 1 . 2]" 1
2488 1 105 GLN H 1 105 GLN HG3 . . 4.580 3.776 2.003 4.283 . 0 0 "[ . 1 . 2]" 1
2489 1 105 GLN H 1 106 ALA HA . . 5.370 5.385 5.276 5.436 0.066 17 0 "[ . 1 . 2]" 1
2490 1 105 GLN H 1 106 ALA MB . . 5.070 4.427 4.304 4.526 . 0 0 "[ . 1 . 2]" 1
2491 1 105 GLN H 1 107 TYR H . . 5.370 4.090 3.904 4.311 . 0 0 "[ . 1 . 2]" 1
2492 1 105 GLN H 1 108 TYR QD . . 4.450 4.067 3.366 4.532 0.082 16 0 "[ . 1 . 2]" 1
2493 1 105 GLN HA 1 105 GLN HE21 . . 5.180 2.694 2.072 4.075 . 0 0 "[ . 1 . 2]" 1
2494 1 105 GLN HA 1 105 GLN HE22 . . 5.500 4.145 3.397 5.588 0.088 6 0 "[ . 1 . 2]" 1
2495 1 105 GLN HA 1 105 GLN HG2 . . 3.670 2.592 2.142 3.765 0.095 4 0 "[ . 1 . 2]" 1
2496 1 105 GLN HA 1 105 GLN HG3 . . 3.660 3.504 3.106 3.629 . 0 0 "[ . 1 . 2]" 1
2497 1 105 GLN HA 1 106 ALA MB . . 5.500 5.012 4.930 5.090 . 0 0 "[ . 1 . 2]" 1
2498 1 105 GLN HA 1 107 TYR H . . 4.380 4.023 3.695 4.371 . 0 0 "[ . 1 . 2]" 1
2499 1 105 GLN HA 1 108 TYR H . . 4.020 3.627 3.218 3.902 . 0 0 "[ . 1 . 2]" 1
2500 1 105 GLN HA 1 108 TYR QB . . 4.120 3.540 2.076 4.083 . 0 0 "[ . 1 . 2]" 1
2501 1 105 GLN HA 1 108 TYR QD . . 4.760 2.583 2.034 3.677 . 0 0 "[ . 1 . 2]" 1
2502 1 105 GLN HA 1 109 ASP H . . 4.280 3.958 3.619 4.349 0.069 2 0 "[ . 1 . 2]" 1
2503 1 105 GLN HB2 1 106 ALA H . . 3.650 3.516 3.114 3.978 0.328 12 0 "[ . 1 . 2]" 1
2504 1 105 GLN HB2 1 106 ALA MB . . 4.630 4.696 4.241 5.346 0.716 12 2 "[ . -1 + . 2]" 1
2505 1 105 GLN HB3 1 105 GLN HG3 . . 3.000 2.609 2.314 2.855 . 0 0 "[ . 1 . 2]" 1
2506 1 105 GLN HB3 1 106 ALA H . . 3.900 3.261 2.643 4.002 0.102 6 0 "[ . 1 . 2]" 1
2507 1 105 GLN HE21 1 106 ALA H . . 4.200 4.102 3.081 4.288 0.088 8 0 "[ . 1 . 2]" 1
2508 1 105 GLN HE21 1 106 ALA HA . . 5.500 3.776 2.621 4.308 . 0 0 "[ . 1 . 2]" 1
2509 1 105 GLN HE21 1 106 ALA MB . . 5.370 4.610 3.100 5.105 . 0 0 "[ . 1 . 2]" 1
2510 1 105 GLN HE21 1 109 ASP H . . 5.500 3.956 2.969 5.577 0.077 6 0 "[ . 1 . 2]" 1
2511 1 105 GLN HE21 1 109 ASP HA . . 5.500 4.504 3.064 5.575 0.075 17 0 "[ . 1 . 2]" 1
2512 1 105 GLN HE21 1 109 ASP QB . . 5.500 3.304 2.594 4.155 . 0 0 "[ . 1 . 2]" 1
2513 1 105 GLN HG2 1 106 ALA H . . 5.200 4.846 3.541 5.257 0.057 16 0 "[ . 1 . 2]" 1
2514 1 105 GLN HG2 1 108 TYR QD . . 4.800 4.377 3.684 5.711 0.911 12 2 "[ . 1 + . - 2]" 1
2515 1 106 ALA H 1 106 ALA MB . . 2.900 2.245 2.151 2.361 . 0 0 "[ . 1 . 2]" 1
2516 1 106 ALA H 1 107 TYR H . . 3.330 2.452 2.309 2.660 . 0 0 "[ . 1 . 2]" 1
2517 1 106 ALA H 1 107 TYR HA . . 4.940 5.018 4.989 5.035 0.095 6 0 "[ . 1 . 2]" 1
2518 1 106 ALA H 1 107 TYR HB2 . . 5.380 5.235 5.055 5.454 0.074 6 0 "[ . 1 . 2]" 1
2519 1 106 ALA H 1 107 TYR HB3 . . 5.190 4.111 3.930 4.239 . 0 0 "[ . 1 . 2]" 1
2520 1 106 ALA H 1 108 TYR H . . 4.760 4.093 3.665 4.415 . 0 0 "[ . 1 . 2]" 1
2521 1 106 ALA H 1 108 TYR QD . . 5.500 5.043 4.383 5.548 0.048 3 0 "[ . 1 . 2]" 1
2522 1 106 ALA H 1 109 ASP H . . 4.880 4.865 4.457 4.952 0.072 13 0 "[ . 1 . 2]" 1
2523 1 106 ALA HA 1 109 ASP H . . 4.110 3.937 3.751 4.158 0.048 13 0 "[ . 1 . 2]" 1
2524 1 106 ALA HA 1 109 ASP QB . . 3.410 3.100 2.674 3.445 0.035 15 0 "[ . 1 . 2]" 1
2525 1 106 ALA MB 1 107 TYR H . . 3.500 3.092 2.752 3.328 . 0 0 "[ . 1 . 2]" 1
2526 1 106 ALA MB 1 107 TYR HA . . 4.770 4.062 3.892 4.256 . 0 0 "[ . 1 . 2]" 1
2527 1 106 ALA MB 1 107 TYR HB2 . . 5.500 4.572 4.359 4.853 . 0 0 "[ . 1 . 2]" 1
2528 1 106 ALA MB 1 107 TYR QR . . 5.500 5.386 5.253 5.507 0.007 14 0 "[ . 1 . 2]" 1
2529 1 106 ALA MB 1 108 TYR H . . 5.500 4.838 4.454 5.152 . 0 0 "[ . 1 . 2]" 1
2530 1 106 ALA MB 1 109 ASP H . . 5.270 5.045 4.847 5.325 0.055 13 0 "[ . 1 . 2]" 1
2531 1 106 ALA MB 1 109 ASP QB . . 4.560 4.437 4.144 4.674 0.114 4 0 "[ . 1 . 2]" 1
2532 1 107 TYR H 1 107 TYR HB2 . . 3.270 3.170 2.929 3.331 0.061 11 0 "[ . 1 . 2]" 1
2533 1 107 TYR H 1 107 TYR HB3 . . 3.260 2.088 1.857 2.267 . 0 0 "[ . 1 . 2]" 1
2534 1 107 TYR H 1 107 TYR QD . . 3.670 3.494 3.319 3.676 0.006 7 0 "[ . 1 . 2]" 1
2535 1 107 TYR H 1 108 TYR H . . 3.380 2.221 1.980 2.404 . 0 0 "[ . 1 . 2]" 1
2536 1 107 TYR H 1 108 TYR QB . . 5.500 3.932 3.631 4.063 . 0 0 "[ . 1 . 2]" 1
2537 1 107 TYR H 1 108 TYR QD . . 4.600 4.362 4.016 4.703 0.103 16 0 "[ . 1 . 2]" 1
2538 1 107 TYR H 1 109 ASP H . . 4.280 3.730 3.053 4.309 0.029 9 0 "[ . 1 . 2]" 1
2539 1 107 TYR H 1 111 ARG QG . . 5.500 5.477 5.201 5.609 0.109 11 0 "[ . 1 . 2]" 1
2540 1 107 TYR HA 1 107 TYR HB2 . . 3.080 2.264 2.214 2.298 . 0 0 "[ . 1 . 2]" 1
2541 1 107 TYR HA 1 107 TYR QR . . 3.350 3.258 3.092 3.430 0.080 15 0 "[ . 1 . 2]" 1
2542 1 107 TYR HB3 1 108 TYR H . . 3.550 2.773 2.506 2.960 . 0 0 "[ . 1 . 2]" 1
2543 1 107 TYR HB3 1 108 TYR QD . . 5.500 4.722 4.301 5.018 . 0 0 "[ . 1 . 2]" 1
2544 1 107 TYR QR 1 111 ARG QD . . 4.040 3.497 2.654 4.155 0.115 13 0 "[ . 1 . 2]" 1
2545 1 107 TYR QR 1 111 ARG QG . . 5.200 3.008 2.309 4.035 . 0 0 "[ . 1 . 2]" 1
2546 1 107 TYR QD 1 108 TYR H . . 3.710 2.426 2.207 2.924 . 0 0 "[ . 1 . 2]" 1
2547 1 107 TYR QD 1 108 TYR QB . . 2.920 2.370 2.022 2.967 0.047 16 0 "[ . 1 . 2]" 1
2548 1 107 TYR QD 1 108 TYR QD . . 3.530 3.304 2.267 3.653 0.123 20 0 "[ . 1 . 2]" 1
2549 1 107 TYR QD 1 109 ASP H . . 4.840 4.842 4.680 4.957 0.117 6 0 "[ . 1 . 2]" 1
2550 1 107 TYR QE 1 108 TYR H . . 4.450 4.391 4.109 4.531 0.081 17 0 "[ . 1 . 2]" 1
2551 1 108 TYR H 1 108 TYR QB . . 3.200 2.060 1.910 2.298 . 0 0 "[ . 1 . 2]" 1
2552 1 108 TYR H 1 108 TYR QD . . 3.340 3.036 2.711 3.249 . 0 0 "[ . 1 . 2]" 1
2553 1 108 TYR H 1 109 ASP H . . 3.300 2.648 2.415 2.871 . 0 0 "[ . 1 . 2]" 1
2554 1 108 TYR H 1 109 ASP HA . . 5.500 5.133 4.763 5.436 . 0 0 "[ . 1 . 2]" 1
2555 1 108 TYR H 1 110 GLY H . . 4.790 4.537 4.058 4.867 0.077 6 0 "[ . 1 . 2]" 1
2556 1 108 TYR H 1 111 ARG H . . 5.500 5.118 4.494 5.536 0.036 12 0 "[ . 1 . 2]" 1
2557 1 108 TYR H 1 111 ARG QG . . 5.500 4.090 3.788 4.402 . 0 0 "[ . 1 . 2]" 1
2558 1 108 TYR HA 1 108 TYR QD . . 3.520 3.379 2.835 3.599 0.079 6 0 "[ . 1 . 2]" 1
2559 1 108 TYR HA 1 109 ASP H . . 3.560 3.361 3.093 3.490 . 0 0 "[ . 1 . 2]" 1
2560 1 108 TYR HA 1 109 ASP HA . . 4.950 4.882 4.704 5.034 0.084 13 0 "[ . 1 . 2]" 1
2561 1 108 TYR HA 1 110 GLY H . . 3.970 3.567 3.217 3.805 . 0 0 "[ . 1 . 2]" 1
2562 1 108 TYR HA 1 111 ARG H . . 4.020 2.915 2.134 3.485 . 0 0 "[ . 1 . 2]" 1
2563 1 108 TYR HA 1 111 ARG HB2 . . 4.340 2.393 1.982 3.187 . 0 0 "[ . 1 . 2]" 1
2564 1 108 TYR HA 1 111 ARG HB3 . . 4.550 3.908 3.547 4.622 0.072 9 0 "[ . 1 . 2]" 1
2565 1 108 TYR HA 1 111 ARG QD . . 4.060 4.043 2.544 4.167 0.107 10 0 "[ . 1 . 2]" 1
2566 1 108 TYR HA 1 111 ARG QG . . 4.240 2.148 1.976 2.306 . 0 0 "[ . 1 . 2]" 1
2567 1 108 TYR HA 1 112 ARG H . . 5.430 4.698 4.004 5.473 0.043 3 0 "[ . 1 . 2]" 1
2568 1 108 TYR QB 1 109 ASP H . . 3.840 3.325 2.270 3.689 . 0 0 "[ . 1 . 2]" 1
2569 1 108 TYR QD 1 109 ASP H . . 3.960 3.902 2.975 4.086 0.126 16 0 "[ . 1 . 2]" 1
2570 1 108 TYR QD 1 109 ASP HA . . 4.610 4.163 3.283 4.571 . 0 0 "[ . 1 . 2]" 1
2571 1 108 TYR QD 1 110 GLY H . . 5.500 5.012 1.798 5.373 . 0 0 "[ . 1 . 2]" 1
2572 1 108 TYR QD 1 111 ARG QG . . 4.760 4.605 3.871 4.874 0.114 7 0 "[ . 1 . 2]" 1
2573 1 108 TYR QD 1 112 ARG QB . . 4.630 3.784 2.605 4.519 . 0 0 "[ . 1 . 2]" 1
2574 1 108 TYR QD 1 112 ARG QG . . 4.610 2.789 2.103 4.408 . 0 0 "[ . 1 . 2]" 1
2575 1 109 ASP H 1 109 ASP QB . . 3.080 2.241 2.108 2.791 . 0 0 "[ . 1 . 2]" 1
2576 1 109 ASP H 1 110 GLY H . . 3.310 2.855 2.764 2.970 . 0 0 "[ . 1 . 2]" 1
2577 1 109 ASP H 1 110 GLY QA . . 4.660 4.747 4.657 4.774 0.114 18 0 "[ . 1 . 2]" 1
2578 1 109 ASP H 1 111 ARG H . . 4.310 4.038 3.659 4.258 . 0 0 "[ . 1 . 2]" 1
2579 1 109 ASP HA 1 110 GLY H . . 3.510 3.430 2.634 3.570 0.060 4 0 "[ . 1 . 2]" 1
2580 1 109 ASP HA 1 110 GLY QA . . 4.650 4.330 4.056 4.464 . 0 0 "[ . 1 . 2]" 1
2581 1 109 ASP HA 1 111 ARG H . . 4.520 4.013 3.372 4.571 0.051 13 0 "[ . 1 . 2]" 1
2582 1 109 ASP HA 1 112 ARG H . . 5.500 4.683 3.929 5.577 0.077 13 0 "[ . 1 . 2]" 1
2583 1 109 ASP HA 1 112 ARG QD . . 4.850 2.923 1.948 4.744 . 0 0 "[ . 1 . 2]" 1
2584 1 109 ASP HA 1 112 ARG QG . . 4.920 3.161 2.069 4.502 . 0 0 "[ . 1 . 2]" 1
2585 1 109 ASP QB 1 110 GLY H . . 3.760 3.077 2.574 3.808 0.048 13 0 "[ . 1 . 2]" 1
2586 1 109 ASP QB 1 110 GLY QA . . 4.660 3.937 3.760 4.285 . 0 0 "[ . 1 . 2]" 1
2587 1 109 ASP QB 1 111 ARG H . . 4.730 4.707 4.353 4.843 0.113 4 0 "[ . 1 . 2]" 1
2588 1 110 GLY H 1 110 GLY QA . . 2.770 2.292 2.206 2.476 . 0 0 "[ . 1 . 2]" 1
2589 1 110 GLY H 1 111 ARG H . . 2.970 2.374 2.035 2.751 . 0 0 "[ . 1 . 2]" 1
2590 1 110 GLY H 1 111 ARG HA . . 4.940 4.893 4.536 5.019 0.079 16 0 "[ . 1 . 2]" 1
2591 1 110 GLY H 1 111 ARG HB2 . . 5.500 4.707 4.379 5.106 . 0 0 "[ . 1 . 2]" 1
2592 1 110 GLY H 1 111 ARG QG . . 5.420 3.069 2.474 3.860 . 0 0 "[ . 1 . 2]" 1
2593 1 110 GLY QA 1 111 ARG H . . 3.380 2.925 2.562 3.010 . 0 0 "[ . 1 . 2]" 1
2594 1 110 GLY QA 1 111 ARG HA . . 4.310 4.104 4.017 4.177 . 0 0 "[ . 1 . 2]" 1
2595 1 110 GLY QA 1 111 ARG QG . . 5.070 3.593 3.185 4.041 . 0 0 "[ . 1 . 2]" 1
2596 1 110 GLY QA 1 112 ARG H . . 4.550 3.759 3.215 4.264 . 0 0 "[ . 1 . 2]" 1
2597 1 110 GLY QA 1 112 ARG QD . . 4.310 3.955 3.044 4.433 0.123 4 0 "[ . 1 . 2]" 1
2598 1 111 ARG H 1 111 ARG HB2 . . 3.190 2.958 2.613 3.268 0.078 16 0 "[ . 1 . 2]" 1
2599 1 111 ARG H 1 111 ARG QD . . 4.590 3.745 2.903 4.358 . 0 0 "[ . 1 . 2]" 1
2600 1 111 ARG H 1 111 ARG QG . . 3.520 2.433 1.933 2.831 . 0 0 "[ . 1 . 2]" 1
2601 1 111 ARG H 1 112 ARG H . . 3.240 2.398 2.023 3.093 . 0 0 "[ . 1 . 2]" 1
2602 1 111 ARG H 1 112 ARG HA . . 5.060 4.376 3.784 5.111 0.051 13 0 "[ . 1 . 2]" 1
2603 1 111 ARG HA 1 111 ARG QD . . 3.910 2.781 2.201 3.990 0.080 11 0 "[ . 1 . 2]" 1
2604 1 111 ARG HA 1 111 ARG QG . . 3.290 3.156 2.680 3.388 0.098 15 0 "[ . 1 . 2]" 1
2605 1 111 ARG HA 1 112 ARG H . . 2.930 3.004 2.786 3.030 0.100 16 0 "[ . 1 . 2]" 1
2606 1 111 ARG HA 1 112 ARG QG . . 5.500 4.904 4.313 5.327 . 0 0 "[ . 1 . 2]" 1
2607 1 111 ARG HB2 1 111 ARG QD . . 3.450 3.304 2.386 3.544 0.094 8 0 "[ . 1 . 2]" 1
2608 1 111 ARG HB2 1 111 ARG HE . . 5.020 4.403 3.170 5.103 0.083 3 0 "[ . 1 . 2]" 1
2609 1 111 ARG HB2 1 111 ARG QG . . 2.560 2.135 2.036 2.329 . 0 0 "[ . 1 . 2]" 1
2610 1 111 ARG HB2 1 112 ARG H . . 4.270 3.920 3.742 4.248 . 0 0 "[ . 1 . 2]" 1
2611 1 111 ARG HB3 1 111 ARG QD . . 3.500 2.503 2.180 3.059 . 0 0 "[ . 1 . 2]" 1
2612 1 111 ARG HB3 1 111 ARG HE . . 5.050 3.926 2.436 4.635 . 0 0 "[ . 1 . 2]" 1
2613 1 111 ARG QD 1 112 ARG H . . 5.480 5.049 4.523 5.573 0.093 11 0 "[ . 1 . 2]" 1
2614 1 111 ARG QG 1 112 ARG H . . 4.290 4.352 4.087 4.397 0.107 13 0 "[ . 1 . 2]" 1
2615 1 112 ARG H 1 112 ARG QB . . 3.150 2.694 2.497 2.996 . 0 0 "[ . 1 . 2]" 1
2616 1 112 ARG H 1 112 ARG QD . . 4.940 2.880 1.696 4.100 . 0 0 "[ . 1 . 2]" 1
2617 1 112 ARG H 1 112 ARG QG . . 3.670 2.289 1.759 2.729 . 0 0 "[ . 1 . 2]" 1
2618 1 112 ARG HA 1 112 ARG QD . . 3.590 3.667 3.558 3.698 0.108 4 0 "[ . 1 . 2]" 1
2619 1 112 ARG HA 1 112 ARG QG . . 3.700 2.605 2.238 3.510 . 0 0 "[ . 1 . 2]" 1
2620 1 112 ARG HA 1 113 SER H . . 2.780 2.257 2.131 2.439 . 0 0 "[ . 1 . 2]" 1
2621 1 112 ARG HA 1 114 SER H . . 5.020 4.450 3.323 5.091 0.071 17 0 "[ . 1 . 2]" 1
2622 1 112 ARG QB 1 112 ARG QD . . 3.460 2.394 2.098 2.796 . 0 0 "[ . 1 . 2]" 1
2623 1 112 ARG QB 1 113 SER H . . 3.840 2.860 2.453 3.167 . 0 0 "[ . 1 . 2]" 1
2624 1 112 ARG QB 1 113 SER HA . . 4.920 4.067 3.752 4.282 . 0 0 "[ . 1 . 2]" 1
2625 1 112 ARG QB 1 114 SER HA . . 5.400 4.569 3.410 5.260 . 0 0 "[ . 1 . 2]" 1
2626 1 112 ARG QD 1 113 SER H . . 5.320 4.987 3.400 5.413 0.093 7 0 "[ . 1 . 2]" 1
2627 1 112 ARG QG 1 113 SER H . . 4.870 4.237 3.773 4.592 . 0 0 "[ . 1 . 2]" 1
2628 1 113 SER H 1 113 SER HB2 . . 3.450 3.245 2.558 3.878 0.428 3 0 "[ . 1 . 2]" 1
2629 1 113 SER H 1 113 SER QB . . 3.760 2.828 2.517 3.272 . 0 0 "[ . 1 . 2]" 1
2630 1 113 SER H 1 114 SER H . . 4.090 2.777 2.030 3.642 . 0 0 "[ . 1 . 2]" 1
2631 1 113 SER H 1 114 SER HA . . 4.220 4.152 3.468 4.312 0.092 7 0 "[ . 1 . 2]" 1
2632 1 113 SER HA 1 114 SER H . . 3.170 2.531 2.145 3.185 0.015 5 0 "[ . 1 . 2]" 1
2633 1 113 SER HA 1 114 SER QB . . 4.320 4.334 3.993 4.418 0.098 8 0 "[ . 1 . 2]" 1
2634 1 113 SER QB 1 114 SER H . . 4.600 3.908 3.687 4.061 . 0 0 "[ . 1 . 2]" 1
2635 1 114 SER H 1 114 SER QB . . 3.680 2.980 2.246 3.410 . 0 0 "[ . 1 . 2]" 1
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