NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
465091 |
2kw4   |
16807 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kw4
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 1905
_Distance_constraint_stats_list.Viol_count 3451
_Distance_constraint_stats_list.Viol_total 3062.921
_Distance_constraint_stats_list.Viol_max 0.326
_Distance_constraint_stats_list.Viol_rms 0.0183
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0040
_Distance_constraint_stats_list.Viol_average_violations_only 0.0444
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 ASP 4.252 0.181 18 0 "[ . 1 . 2]"
1 4 ARG 5.308 0.326 12 0 "[ . 1 . 2]"
1 5 THR 7.391 0.326 12 0 "[ . 1 . 2]"
1 6 GLU 1.623 0.217 15 0 "[ . 1 . 2]"
1 7 TYR 0.740 0.092 13 0 "[ . 1 . 2]"
1 8 ASP 4.233 0.212 12 0 "[ . 1 . 2]"
1 9 VAL 3.615 0.139 16 0 "[ . 1 . 2]"
1 10 TYR 2.512 0.139 16 0 "[ . 1 . 2]"
1 11 THR 1.301 0.100 19 0 "[ . 1 . 2]"
1 16 VAL 5.717 0.144 19 0 "[ . 1 . 2]"
1 17 ASN 4.712 0.215 19 0 "[ . 1 . 2]"
1 18 GLY 0.605 0.215 19 0 "[ . 1 . 2]"
1 19 GLN 1.973 0.144 19 0 "[ . 1 . 2]"
1 20 TYR 2.137 0.071 20 0 "[ . 1 . 2]"
1 21 ALA 0.285 0.107 14 0 "[ . 1 . 2]"
1 22 TRP 0.529 0.051 10 0 "[ . 1 . 2]"
1 23 ALA 0.363 0.125 10 0 "[ . 1 . 2]"
1 24 TYR 1.278 0.082 10 0 "[ . 1 . 2]"
1 25 ALA 0.224 0.107 10 0 "[ . 1 . 2]"
1 26 PHE 1.199 0.193 9 0 "[ . 1 . 2]"
1 27 VAL 3.348 0.117 15 0 "[ . 1 . 2]"
1 28 LYS 1.612 0.117 15 0 "[ . 1 . 2]"
1 29 ASP 0.219 0.035 19 0 "[ . 1 . 2]"
1 30 GLY 0.598 0.049 15 0 "[ . 1 . 2]"
1 31 LYS 4.145 0.095 8 0 "[ . 1 . 2]"
1 32 VAL 0.618 0.095 8 0 "[ . 1 . 2]"
1 33 HIS 1.225 0.095 10 0 "[ . 1 . 2]"
1 34 TYR 1.400 0.140 10 0 "[ . 1 . 2]"
1 37 ALA 0.429 0.125 10 0 "[ . 1 . 2]"
1 38 ASP 0.461 0.071 9 0 "[ . 1 . 2]"
1 39 VAL 3.353 0.135 3 0 "[ . 1 . 2]"
1 40 GLY 2.469 0.135 3 0 "[ . 1 . 2]"
1 41 LYS 0.348 0.065 15 0 "[ . 1 . 2]"
1 42 ASN 2.699 0.145 14 0 "[ . 1 . 2]"
1 43 PRO 3.225 0.145 14 0 "[ . 1 . 2]"
1 44 ALA 0.106 0.029 6 0 "[ . 1 . 2]"
1 45 ALA 0.779 0.129 14 0 "[ . 1 . 2]"
1 46 ALA 0.195 0.033 15 0 "[ . 1 . 2]"
1 47 THR 0.888 0.147 20 0 "[ . 1 . 2]"
1 48 MET 3.045 0.219 20 0 "[ . 1 . 2]"
1 49 ARG 0.392 0.047 10 0 "[ . 1 . 2]"
1 50 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 VAL 0.342 0.045 17 0 "[ . 1 . 2]"
1 52 ALA 1.949 0.136 14 0 "[ . 1 . 2]"
1 53 GLY 0.003 0.002 17 0 "[ . 1 . 2]"
1 55 ILE 5.213 0.178 20 0 "[ . 1 . 2]"
1 56 ALA 0.291 0.039 18 0 "[ . 1 . 2]"
1 57 ALA 0.443 0.076 2 0 "[ . 1 . 2]"
1 58 ALA 2.134 0.105 1 0 "[ . 1 . 2]"
1 59 LEU 7.422 0.170 14 0 "[ . 1 . 2]"
1 60 TYR 3.698 0.164 18 0 "[ . 1 . 2]"
1 61 ALA 1.993 0.193 9 0 "[ . 1 . 2]"
1 62 VAL 1.438 0.088 5 0 "[ . 1 . 2]"
1 63 LYS 3.568 0.110 9 0 "[ . 1 . 2]"
1 64 LYS 1.662 0.133 7 0 "[ . 1 . 2]"
1 65 ALA 4.479 0.189 16 0 "[ . 1 . 2]"
1 66 SER 1.684 0.077 6 0 "[ . 1 . 2]"
1 67 GLN 2.051 0.158 14 0 "[ . 1 . 2]"
1 68 LEU 6.973 0.140 10 0 "[ . 1 . 2]"
1 69 GLY 1.197 0.205 16 0 "[ . 1 . 2]"
1 70 VAL 7.200 0.261 2 0 "[ . 1 . 2]"
1 71 LYS 3.695 0.261 2 0 "[ . 1 . 2]"
1 72 ILE 6.909 0.208 6 0 "[ . 1 . 2]"
1 73 ARG 0.819 0.212 12 0 "[ . 1 . 2]"
1 79 ALA 0.959 0.139 6 0 "[ . 1 . 2]"
1 80 GLY 0.184 0.076 13 0 "[ . 1 . 2]"
1 81 ILE 3.840 0.210 19 0 "[ . 1 . 2]"
1 82 ALA 0.270 0.116 17 0 "[ . 1 . 2]"
1 83 PHE 0.302 0.076 17 0 "[ . 1 . 2]"
1 84 TRP 4.077 0.248 11 0 "[ . 1 . 2]"
1 85 ALA 1.333 0.210 19 0 "[ . 1 . 2]"
1 86 THR 0.173 0.173 17 0 "[ . 1 . 2]"
1 87 GLY 0.075 0.032 4 0 "[ . 1 . 2]"
1 88 GLU 0.098 0.032 4 0 "[ . 1 . 2]"
1 89 TRP 0.211 0.202 19 0 "[ . 1 . 2]"
1 90 LYS 0.156 0.062 14 0 "[ . 1 . 2]"
1 91 ALA 0.941 0.243 7 0 "[ . 1 . 2]"
1 92 LYS 0.490 0.104 11 0 "[ . 1 . 2]"
1 96 THR 3.409 0.212 10 0 "[ . 1 . 2]"
1 97 GLN 6.678 0.214 1 0 "[ . 1 . 2]"
1 98 ALA 4.356 0.197 2 0 "[ . 1 . 2]"
1 99 TYR 2.805 0.212 10 0 "[ . 1 . 2]"
1 100 ALA 1.101 0.205 20 0 "[ . 1 . 2]"
1 101 LYS 5.503 0.197 2 0 "[ . 1 . 2]"
1 102 LEU 10.859 0.193 9 0 "[ . 1 . 2]"
1 103 MET 3.601 0.192 20 0 "[ . 1 . 2]"
1 104 ASN 2.992 0.147 18 0 "[ . 1 . 2]"
1 105 GLN 1.824 0.078 12 0 "[ . 1 . 2]"
1 106 TYR 4.754 0.164 15 0 "[ . 1 . 2]"
1 107 ARG 3.547 0.215 16 0 "[ . 1 . 2]"
1 108 GLY 2.152 0.215 16 0 "[ . 1 . 2]"
1 109 ILE 5.022 0.141 10 0 "[ . 1 . 2]"
1 110 TYR 2.111 0.189 16 0 "[ . 1 . 2]"
1 111 SER 2.144 0.136 8 0 "[ . 1 . 2]"
1 112 PHE 2.448 0.165 9 0 "[ . 1 . 2]"
1 113 GLU 0.794 0.139 20 0 "[ . 1 . 2]"
1 114 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 VAL 4.572 0.299 15 0 "[ . 1 . 2]"
1 116 LYS 0.605 0.299 15 0 "[ . 1 . 2]"
1 117 ALA 4.122 0.243 7 0 "[ . 1 . 2]"
1 119 SER 0.045 0.019 10 0 "[ . 1 . 2]"
1 120 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 ASN 1.113 0.208 18 0 "[ . 1 . 2]"
1 122 GLU 0.232 0.121 11 0 "[ . 1 . 2]"
1 123 PHE 4.540 0.208 18 0 "[ . 1 . 2]"
1 124 ASN 6.176 0.287 20 0 "[ . 1 . 2]"
1 125 ASP 2.407 0.287 20 0 "[ . 1 . 2]"
1 126 TYR 5.862 0.185 11 0 "[ . 1 . 2]"
1 127 VAL 8.019 0.182 7 0 "[ . 1 . 2]"
1 128 ASP 0.577 0.111 20 0 "[ . 1 . 2]"
1 129 MET 0.757 0.088 20 0 "[ . 1 . 2]"
1 130 LYS 2.235 0.092 13 0 "[ . 1 . 2]"
1 131 ALA 0.955 0.111 20 0 "[ . 1 . 2]"
1 132 LYS 1.465 0.134 20 0 "[ . 1 . 2]"
1 133 SER 0.315 0.029 20 0 "[ . 1 . 2]"
1 134 ALA 1.193 0.139 20 0 "[ . 1 . 2]"
1 135 LEU 0.517 0.097 20 0 "[ . 1 . 2]"
1 136 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 137 ILE 2.675 0.134 20 0 "[ . 1 . 2]"
1 138 ARG 0.930 0.087 11 0 "[ . 1 . 2]"
1 139 ASP 0.865 0.087 11 0 "[ . 1 . 2]"
1 140 LEU 1.322 0.201 19 0 "[ . 1 . 2]"
1 141 GLU 0.604 0.193 14 0 "[ . 1 . 2]"
1 142 HIS 0.053 0.053 14 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 ASP H 1 3 ASP HB2 . . 3.880 3.705 2.650 3.969 0.089 12 0 "[ . 1 . 2]" 1
2 1 3 ASP H 1 3 ASP HB3 . . 4.250 3.127 2.419 3.921 . 0 0 "[ . 1 . 2]" 1
3 1 3 ASP H 1 4 ARG H . . 4.250 4.319 4.197 4.394 0.144 12 0 "[ . 1 . 2]" 1
4 1 3 ASP HA 1 4 ARG H . . 3.200 2.568 2.163 2.737 . 0 0 "[ . 1 . 2]" 1
5 1 3 ASP HA 1 5 THR MG . . 5.020 4.777 3.483 5.073 0.053 20 0 "[ . 1 . 2]" 1
6 1 3 ASP HB2 1 4 ARG H . . 4.750 2.648 1.925 4.455 . 0 0 "[ . 1 . 2]" 1
7 1 3 ASP HB2 1 5 THR H . . 5.500 3.543 2.681 5.573 0.073 20 0 "[ . 1 . 2]" 1
8 1 3 ASP HB2 1 5 THR MG . . 3.710 3.317 2.912 3.891 0.181 18 0 "[ . 1 . 2]" 1
9 1 3 ASP HB2 1 30 GLY HA3 . . 5.500 5.517 5.377 5.549 0.049 15 0 "[ . 1 . 2]" 1
10 1 3 ASP HB2 1 70 VAL MG1 . . 3.440 3.487 3.443 3.532 0.092 19 0 "[ . 1 . 2]" 1
11 1 3 ASP HB3 1 4 ARG H . . 5.500 3.589 1.933 4.495 . 0 0 "[ . 1 . 2]" 1
12 1 3 ASP HB3 1 5 THR H . . 5.500 4.448 2.763 5.578 0.078 12 0 "[ . 1 . 2]" 1
13 1 3 ASP HB3 1 30 GLY HA2 . . 5.500 5.088 2.345 5.545 0.045 16 0 "[ . 1 . 2]" 1
14 1 4 ARG H 1 4 ARG HB2 . . 4.150 3.803 2.975 4.037 . 0 0 "[ . 1 . 2]" 1
15 1 4 ARG H 1 4 ARG HB3 . . 3.700 2.993 2.182 3.366 . 0 0 "[ . 1 . 2]" 1
16 1 4 ARG H 1 4 ARG HG2 . . 4.410 2.649 2.095 4.421 0.011 12 0 "[ . 1 . 2]" 1
17 1 4 ARG H 1 4 ARG HG3 . . 4.400 3.797 3.490 4.449 0.049 13 0 "[ . 1 . 2]" 1
18 1 4 ARG H 1 5 THR HA . . 5.500 4.396 3.919 5.496 . 0 0 "[ . 1 . 2]" 1
19 1 4 ARG HA 1 4 ARG HD3 . . 5.500 5.194 4.337 5.514 0.014 17 0 "[ . 1 . 2]" 1
20 1 4 ARG HA 1 4 ARG HG2 . . 3.840 3.702 3.638 3.779 . 0 0 "[ . 1 . 2]" 1
21 1 4 ARG HA 1 4 ARG HG3 . . 4.040 3.669 2.583 3.891 . 0 0 "[ . 1 . 2]" 1
22 1 4 ARG HA 1 5 THR H . . 3.120 2.867 2.140 3.083 . 0 0 "[ . 1 . 2]" 1
23 1 4 ARG HA 1 5 THR HA . . 4.700 4.680 4.376 4.808 0.108 18 0 "[ . 1 . 2]" 1
24 1 4 ARG HB2 1 5 THR H . . 4.490 4.456 3.482 4.559 0.069 12 0 "[ . 1 . 2]" 1
25 1 4 ARG HB2 1 5 THR HA . . 5.500 5.226 4.626 5.826 0.326 12 0 "[ . 1 . 2]" 1
26 1 4 ARG HB3 1 4 ARG HD3 . . 3.800 3.162 2.238 3.712 . 0 0 "[ . 1 . 2]" 1
27 1 4 ARG HB3 1 5 THR H . . 4.420 4.491 4.355 4.556 0.136 9 0 "[ . 1 . 2]" 1
28 1 4 ARG HG2 1 5 THR H . . 5.500 3.939 3.662 4.939 . 0 0 "[ . 1 . 2]" 1
29 1 4 ARG HG2 1 5 THR HA . . 4.740 4.343 3.800 4.768 0.028 20 0 "[ . 1 . 2]" 1
30 1 4 ARG HG2 1 5 THR MG . . 5.500 4.131 3.414 5.182 . 0 0 "[ . 1 . 2]" 1
31 1 4 ARG HG2 1 27 VAL MG1 . . 5.500 3.549 1.910 4.233 . 0 0 "[ . 1 . 2]" 1
32 1 4 ARG HG2 1 27 VAL MG2 . . 5.500 5.286 4.021 5.557 0.057 13 0 "[ . 1 . 2]" 1
33 1 4 ARG HG3 1 5 THR H . . 5.500 4.235 3.267 4.545 . 0 0 "[ . 1 . 2]" 1
34 1 4 ARG HG3 1 5 THR HA . . 4.170 3.999 3.674 4.235 0.065 20 0 "[ . 1 . 2]" 1
35 1 5 THR H 1 5 THR HB . . 3.730 3.634 3.541 3.900 0.170 13 0 "[ . 1 . 2]" 1
36 1 5 THR H 1 5 THR MG . . 3.950 2.596 2.062 3.330 . 0 0 "[ . 1 . 2]" 1
37 1 5 THR HA 1 5 THR MG . . 3.100 2.262 2.090 2.439 . 0 0 "[ . 1 . 2]" 1
38 1 5 THR HA 1 6 GLU H . . 3.470 2.588 2.174 3.555 0.085 18 0 "[ . 1 . 2]" 1
39 1 5 THR HA 1 134 ALA HA . . 5.500 4.758 3.782 5.528 0.028 17 0 "[ . 1 . 2]" 1
40 1 5 THR HB 1 6 GLU H . . 3.710 2.615 1.944 3.186 . 0 0 "[ . 1 . 2]" 1
41 1 5 THR HB 1 72 ILE HA . . 5.500 5.502 5.244 5.571 0.071 6 0 "[ . 1 . 2]" 1
42 1 5 THR HB 1 134 ALA HA . . 5.500 5.530 5.503 5.639 0.139 20 0 "[ . 1 . 2]" 1
43 1 5 THR MG 1 6 GLU H . . 3.470 3.527 3.398 3.687 0.217 15 0 "[ . 1 . 2]" 1
44 1 5 THR MG 1 27 VAL MG1 . . 5.500 2.707 2.333 3.286 . 0 0 "[ . 1 . 2]" 1
45 1 5 THR MG 1 27 VAL MG2 . . 5.500 2.959 2.444 4.079 . 0 0 "[ . 1 . 2]" 1
46 1 7 TYR H 1 130 LYS HD3 . . 5.500 5.005 3.744 5.592 0.092 13 0 "[ . 1 . 2]" 1
47 1 8 ASP H 1 8 ASP HB2 . . 3.740 2.591 2.103 3.444 . 0 0 "[ . 1 . 2]" 1
48 1 8 ASP H 1 8 ASP HB3 . . 4.310 2.663 2.391 3.211 . 0 0 "[ . 1 . 2]" 1
49 1 8 ASP H 1 9 VAL H . . 5.500 4.599 4.364 4.648 . 0 0 "[ . 1 . 2]" 1
50 1 8 ASP HA 1 9 VAL H . . 3.290 2.325 2.174 2.422 . 0 0 "[ . 1 . 2]" 1
51 1 8 ASP HA 1 72 ILE HB . . 5.500 5.289 4.629 5.708 0.208 6 0 "[ . 1 . 2]" 1
52 1 8 ASP HA 1 73 ARG H . . 4.400 4.180 3.806 4.498 0.098 11 0 "[ . 1 . 2]" 1
53 1 8 ASP HA 1 73 ARG HA . . 5.500 5.027 4.349 5.712 0.212 12 0 "[ . 1 . 2]" 1
54 1 8 ASP HA 1 73 ARG HB2 . . 5.220 3.063 2.008 5.236 0.016 17 0 "[ . 1 . 2]" 1
55 1 8 ASP HA 1 73 ARG HB3 . . 4.970 3.155 1.987 4.942 . 0 0 "[ . 1 . 2]" 1
56 1 8 ASP HA 1 126 TYR QE . . 5.500 5.570 5.527 5.646 0.146 11 0 "[ . 1 . 2]" 1
57 1 8 ASP HA 1 130 LYS HD3 . . 5.500 4.889 4.587 5.499 . 0 0 "[ . 1 . 2]" 1
58 1 8 ASP HB2 1 9 VAL H . . 5.470 3.926 3.776 4.399 . 0 0 "[ . 1 . 2]" 1
59 1 8 ASP HB2 1 126 TYR QE . . 4.700 3.197 3.020 3.508 . 0 0 "[ . 1 . 2]" 1
60 1 8 ASP HB2 1 127 VAL MG1 . . 3.990 4.023 3.756 4.105 0.115 18 0 "[ . 1 . 2]" 1
61 1 8 ASP HB2 1 130 LYS HD2 . . 5.500 3.181 2.070 3.795 . 0 0 "[ . 1 . 2]" 1
62 1 8 ASP HB2 1 130 LYS HG3 . . 3.760 2.818 2.155 3.510 . 0 0 "[ . 1 . 2]" 1
63 1 8 ASP HB3 1 9 VAL H . . 5.500 3.677 3.146 3.899 . 0 0 "[ . 1 . 2]" 1
64 1 8 ASP HB3 1 127 VAL MG2 . . 5.500 5.399 4.956 5.627 0.127 9 0 "[ . 1 . 2]" 1
65 1 8 ASP HB3 1 130 LYS HD2 . . 3.580 3.392 2.854 3.642 0.062 20 0 "[ . 1 . 2]" 1
66 1 8 ASP HB3 1 130 LYS HD3 . . 3.430 3.024 2.615 3.428 . 0 0 "[ . 1 . 2]" 1
67 1 8 ASP HB3 1 130 LYS HG3 . . 3.870 2.929 2.506 3.553 . 0 0 "[ . 1 . 2]" 1
68 1 9 VAL H 1 9 VAL HB . . 4.010 2.440 2.405 2.521 . 0 0 "[ . 1 . 2]" 1
69 1 9 VAL H 1 9 VAL MG1 . . 4.590 3.757 3.741 3.785 . 0 0 "[ . 1 . 2]" 1
70 1 9 VAL H 1 9 VAL MG2 . . 3.890 2.581 2.418 2.774 . 0 0 "[ . 1 . 2]" 1
71 1 9 VAL HA 1 9 VAL MG1 . . 3.640 2.430 2.387 2.468 . 0 0 "[ . 1 . 2]" 1
72 1 9 VAL HA 1 9 VAL MG2 . . 3.480 2.338 2.222 2.400 . 0 0 "[ . 1 . 2]" 1
73 1 9 VAL HA 1 10 TYR H . . 3.240 2.226 2.200 2.256 . 0 0 "[ . 1 . 2]" 1
74 1 9 VAL HA 1 25 ALA MB . . 5.500 3.498 2.725 4.538 . 0 0 "[ . 1 . 2]" 1
75 1 9 VAL HA 1 131 ALA MB . . 5.500 3.935 3.406 4.776 . 0 0 "[ . 1 . 2]" 1
76 1 9 VAL HB 1 10 TYR H . . 5.010 4.019 3.910 4.113 . 0 0 "[ . 1 . 2]" 1
77 1 9 VAL HB 1 11 THR MG . . 5.500 2.760 2.290 3.282 . 0 0 "[ . 1 . 2]" 1
78 1 9 VAL HB 1 61 ALA MB . . 5.500 4.411 4.159 4.614 . 0 0 "[ . 1 . 2]" 1
79 1 9 VAL HB 1 72 ILE MD . . 5.500 4.166 3.719 4.503 . 0 0 "[ . 1 . 2]" 1
80 1 9 VAL HB 1 72 ILE MG . . 5.500 4.072 3.184 4.477 . 0 0 "[ . 1 . 2]" 1
81 1 9 VAL MG1 1 9 VAL MG2 . . 3.020 2.077 1.948 2.098 . 0 0 "[ . 1 . 2]" 1
82 1 9 VAL MG1 1 10 TYR H . . 4.200 2.192 2.007 2.322 . 0 0 "[ . 1 . 2]" 1
83 1 9 VAL MG1 1 11 THR MG . . 3.220 1.876 1.804 2.069 . 0 0 "[ . 1 . 2]" 1
84 1 9 VAL MG1 1 24 TYR HA . . 4.670 2.858 2.618 3.353 . 0 0 "[ . 1 . 2]" 1
85 1 9 VAL MG1 1 24 TYR HB2 . . 3.850 2.670 1.937 3.005 . 0 0 "[ . 1 . 2]" 1
86 1 9 VAL MG1 1 24 TYR HB3 . . 4.010 3.067 2.798 3.327 . 0 0 "[ . 1 . 2]" 1
87 1 9 VAL MG1 1 24 TYR QD . . 4.950 4.205 3.077 4.515 . 0 0 "[ . 1 . 2]" 1
88 1 9 VAL MG1 1 25 ALA H . . 4.260 2.072 1.837 2.764 . 0 0 "[ . 1 . 2]" 1
89 1 9 VAL MG1 1 25 ALA MB . . 3.270 2.597 1.955 3.281 0.011 7 0 "[ . 1 . 2]" 1
90 1 9 VAL MG1 1 26 PHE QD . . 4.630 4.322 3.583 4.676 0.046 10 0 "[ . 1 . 2]" 1
91 1 9 VAL MG1 1 26 PHE QE . . 5.180 4.411 3.374 5.143 . 0 0 "[ . 1 . 2]" 1
92 1 9 VAL MG1 1 57 ALA MB . . 5.500 4.334 3.933 4.481 . 0 0 "[ . 1 . 2]" 1
93 1 9 VAL MG1 1 58 ALA HA . . 5.500 4.908 4.165 5.395 . 0 0 "[ . 1 . 2]" 1
94 1 9 VAL MG1 1 61 ALA MB . . 3.680 3.113 2.707 3.361 . 0 0 "[ . 1 . 2]" 1
95 1 9 VAL MG2 1 10 TYR H . . 5.210 3.779 3.717 3.818 . 0 0 "[ . 1 . 2]" 1
96 1 9 VAL MG2 1 10 TYR HB3 . . 5.500 5.604 5.569 5.639 0.139 16 0 "[ . 1 . 2]" 1
97 1 9 VAL MG2 1 26 PHE QD . . 5.500 5.385 4.654 5.552 0.052 9 0 "[ . 1 . 2]" 1
98 1 9 VAL MG2 1 61 ALA MB . . 3.760 3.765 3.546 3.830 0.070 17 0 "[ . 1 . 2]" 1
99 1 9 VAL MG2 1 62 VAL MG2 . . 5.500 5.438 5.066 5.567 0.067 16 0 "[ . 1 . 2]" 1
100 1 9 VAL MG2 1 72 ILE HA . . 4.850 3.377 2.999 3.774 . 0 0 "[ . 1 . 2]" 1
101 1 9 VAL MG2 1 72 ILE HB . . 3.130 2.250 1.911 2.798 . 0 0 "[ . 1 . 2]" 1
102 1 9 VAL MG2 1 72 ILE MD . . 3.280 3.176 2.510 3.317 0.037 18 0 "[ . 1 . 2]" 1
103 1 9 VAL MG2 1 72 ILE MG . . 3.180 2.157 1.812 2.586 . 0 0 "[ . 1 . 2]" 1
104 1 9 VAL MG2 1 73 ARG H . . 4.900 2.934 2.431 3.661 . 0 0 "[ . 1 . 2]" 1
105 1 9 VAL MG2 1 73 ARG HB3 . . 5.500 4.383 2.979 5.526 0.026 17 0 "[ . 1 . 2]" 1
106 1 10 TYR H 1 11 THR H . . 4.710 3.971 3.947 4.067 . 0 0 "[ . 1 . 2]" 1
107 1 10 TYR H 1 25 ALA MB . . 4.490 2.461 1.876 3.201 . 0 0 "[ . 1 . 2]" 1
108 1 10 TYR HB2 1 11 THR H . . 5.140 4.586 4.539 4.595 . 0 0 "[ . 1 . 2]" 1
109 1 10 TYR HB3 1 127 VAL MG2 . . 5.390 5.335 4.733 5.498 0.108 18 0 "[ . 1 . 2]" 1
110 1 11 THR H 1 11 THR MG . . 4.010 3.091 2.787 3.282 . 0 0 "[ . 1 . 2]" 1
111 1 11 THR H 1 127 VAL MG1 . . 4.530 3.103 2.737 3.259 . 0 0 "[ . 1 . 2]" 1
112 1 11 THR H 1 127 VAL MG2 . . 4.400 2.557 2.030 2.871 . 0 0 "[ . 1 . 2]" 1
113 1 11 THR H 1 131 ALA MB . . 4.780 4.423 4.173 4.827 0.047 20 0 "[ . 1 . 2]" 1
114 1 11 THR HA 1 11 THR MG . . 3.340 2.221 2.036 2.349 . 0 0 "[ . 1 . 2]" 1
115 1 11 THR HA 1 22 TRP HA . . 5.500 5.451 5.125 5.525 0.025 2 0 "[ . 1 . 2]" 1
116 1 11 THR HA 1 23 ALA MB . . 4.640 4.093 3.399 4.666 0.026 12 0 "[ . 1 . 2]" 1
117 1 11 THR HA 1 24 TYR HA . . 3.900 3.359 2.745 3.929 0.029 20 0 "[ . 1 . 2]" 1
118 1 11 THR HA 1 57 ALA MB . . 3.970 2.969 2.607 3.368 . 0 0 "[ . 1 . 2]" 1
119 1 11 THR HA 1 127 VAL MG1 . . 5.190 5.201 4.948 5.290 0.100 19 0 "[ . 1 . 2]" 1
120 1 11 THR HB 1 57 ALA MB . . 3.180 2.073 1.876 2.568 . 0 0 "[ . 1 . 2]" 1
121 1 11 THR MG 1 24 TYR HA . . 3.850 2.327 1.936 2.900 . 0 0 "[ . 1 . 2]" 1
122 1 11 THR MG 1 24 TYR HB2 . . 4.330 3.154 2.826 4.083 . 0 0 "[ . 1 . 2]" 1
123 1 11 THR MG 1 24 TYR HB3 . . 3.770 2.150 1.910 3.222 . 0 0 "[ . 1 . 2]" 1
124 1 11 THR MG 1 25 ALA H . . 3.910 3.587 3.141 3.937 0.027 20 0 "[ . 1 . 2]" 1
125 1 11 THR MG 1 57 ALA MB . . 3.340 1.986 1.827 2.679 . 0 0 "[ . 1 . 2]" 1
126 1 11 THR MG 1 58 ALA H . . 4.550 3.564 3.028 4.009 . 0 0 "[ . 1 . 2]" 1
127 1 11 THR MG 1 58 ALA HA . . 3.480 3.184 2.766 3.507 0.027 2 0 "[ . 1 . 2]" 1
128 1 11 THR MG 1 58 ALA MB . . 5.500 3.762 2.862 4.100 . 0 0 "[ . 1 . 2]" 1
129 1 11 THR MG 1 61 ALA MB . . 3.700 2.785 2.409 3.197 . 0 0 "[ . 1 . 2]" 1
130 1 16 VAL H 1 16 VAL HB . . 4.110 3.360 3.252 3.438 . 0 0 "[ . 1 . 2]" 1
131 1 16 VAL H 1 16 VAL MG1 . . 4.410 2.139 1.985 2.258 . 0 0 "[ . 1 . 2]" 1
132 1 16 VAL H 1 16 VAL MG2 . . 3.900 3.892 3.849 3.943 0.043 19 0 "[ . 1 . 2]" 1
133 1 16 VAL H 1 19 GLN H . . 3.850 3.085 2.688 3.994 0.144 19 0 "[ . 1 . 2]" 1
134 1 16 VAL H 1 19 GLN HB3 . . 4.330 3.883 3.182 4.332 0.002 2 0 "[ . 1 . 2]" 1
135 1 16 VAL H 1 20 TYR HA . . 5.340 4.471 3.139 5.400 0.060 19 0 "[ . 1 . 2]" 1
136 1 16 VAL HA 1 16 VAL MG1 . . 3.180 3.194 3.188 3.204 0.024 3 0 "[ . 1 . 2]" 1
137 1 16 VAL HA 1 16 VAL MG2 . . 3.710 2.380 2.346 2.451 . 0 0 "[ . 1 . 2]" 1
138 1 16 VAL HA 1 17 ASN H . . 3.520 2.147 2.140 2.162 . 0 0 "[ . 1 . 2]" 1
139 1 16 VAL HA 1 17 ASN HA . . 4.330 4.364 4.361 4.366 0.036 18 0 "[ . 1 . 2]" 1
140 1 16 VAL HA 1 17 ASN HB2 . . 5.500 4.463 4.329 4.839 . 0 0 "[ . 1 . 2]" 1
141 1 16 VAL HA 1 17 ASN HB3 . . 5.500 4.842 4.495 5.175 . 0 0 "[ . 1 . 2]" 1
142 1 16 VAL MG1 1 17 ASN H . . 4.080 4.141 3.945 4.203 0.123 18 0 "[ . 1 . 2]" 1
143 1 16 VAL MG1 1 17 ASN HB2 . . 4.580 4.051 3.694 4.619 0.039 12 0 "[ . 1 . 2]" 1
144 1 16 VAL MG1 1 17 ASN HB3 . . 3.710 3.698 3.492 3.842 0.132 20 0 "[ . 1 . 2]" 1
145 1 16 VAL MG1 1 19 GLN H . . 4.490 3.369 3.097 4.112 . 0 0 "[ . 1 . 2]" 1
146 1 16 VAL MG1 1 19 GLN HA . . 5.050 4.797 4.569 5.090 0.040 20 0 "[ . 1 . 2]" 1
147 1 16 VAL MG2 1 17 ASN H . . 4.840 2.852 2.569 3.075 . 0 0 "[ . 1 . 2]" 1
148 1 16 VAL MG2 1 17 ASN HA . . 5.500 4.027 3.914 4.144 . 0 0 "[ . 1 . 2]" 1
149 1 16 VAL MG2 1 17 ASN HB2 . . 3.730 2.647 2.320 2.952 . 0 0 "[ . 1 . 2]" 1
150 1 16 VAL MG2 1 17 ASN HB3 . . 3.390 3.231 2.599 3.455 0.065 19 0 "[ . 1 . 2]" 1
151 1 16 VAL MG2 1 17 ASN HD21 . . 4.070 4.020 3.682 4.174 0.104 8 0 "[ . 1 . 2]" 1
152 1 16 VAL MG2 1 17 ASN HD22 . . 5.430 5.402 5.108 5.521 0.091 8 0 "[ . 1 . 2]" 1
153 1 16 VAL MG2 1 19 GLN H . . 5.170 4.627 4.328 5.141 . 0 0 "[ . 1 . 2]" 1
154 1 16 VAL MG2 1 19 GLN HB3 . . 5.240 5.265 5.188 5.300 0.060 18 0 "[ . 1 . 2]" 1
155 1 17 ASN HA 1 18 GLY H . . 3.880 3.457 2.866 3.569 . 0 0 "[ . 1 . 2]" 1
156 1 17 ASN HA 1 19 GLN H . . 5.500 4.986 4.437 5.416 . 0 0 "[ . 1 . 2]" 1
157 1 17 ASN HB2 1 18 GLY H . . 4.530 3.407 3.364 3.502 . 0 0 "[ . 1 . 2]" 1
158 1 17 ASN HB2 1 18 GLY HA3 . . 5.500 5.518 5.465 5.715 0.215 19 0 "[ . 1 . 2]" 1
159 1 17 ASN HB2 1 19 GLN H . . 5.500 4.928 4.775 5.120 . 0 0 "[ . 1 . 2]" 1
160 1 17 ASN HB3 1 17 ASN HD21 . . 3.580 3.015 2.255 3.463 . 0 0 "[ . 1 . 2]" 1
161 1 17 ASN HB3 1 18 GLY H . . 4.850 1.959 1.873 2.153 . 0 0 "[ . 1 . 2]" 1
162 1 17 ASN HB3 1 18 GLY HA3 . . 5.500 4.077 3.865 4.479 . 0 0 "[ . 1 . 2]" 1
163 1 17 ASN HD21 1 18 GLY H . . 5.050 4.537 3.167 5.041 . 0 0 "[ . 1 . 2]" 1
164 1 18 GLY H 1 19 GLN H . . 3.820 2.128 1.851 3.535 . 0 0 "[ . 1 . 2]" 1
165 1 18 GLY HA2 1 19 GLN H . . 4.310 3.010 2.643 3.525 . 0 0 "[ . 1 . 2]" 1
166 1 18 GLY HA3 1 19 GLN H . . 4.150 3.440 2.869 3.567 . 0 0 "[ . 1 . 2]" 1
167 1 19 GLN H 1 19 GLN HB2 . . 3.920 2.362 2.175 2.692 . 0 0 "[ . 1 . 2]" 1
168 1 19 GLN H 1 19 GLN HB3 . . 3.590 3.265 2.985 3.597 0.007 20 0 "[ . 1 . 2]" 1
169 1 19 GLN H 1 19 GLN HG2 . . 4.370 4.374 4.297 4.429 0.059 3 0 "[ . 1 . 2]" 1
170 1 19 GLN H 1 19 GLN HG3 . . 4.160 4.099 3.723 4.196 0.036 16 0 "[ . 1 . 2]" 1
171 1 19 GLN H 1 39 VAL MG1 . . 5.500 5.477 5.191 5.520 0.020 3 0 "[ . 1 . 2]" 1
172 1 19 GLN HA 1 19 GLN HG2 . . 4.060 2.133 2.042 2.310 . 0 0 "[ . 1 . 2]" 1
173 1 19 GLN HA 1 19 GLN HG3 . . 3.760 2.956 2.697 3.119 . 0 0 "[ . 1 . 2]" 1
174 1 19 GLN HA 1 20 TYR H . . 3.080 2.618 2.530 2.645 . 0 0 "[ . 1 . 2]" 1
175 1 19 GLN HA 1 46 ALA MB . . 5.500 4.377 3.014 5.356 . 0 0 "[ . 1 . 2]" 1
176 1 19 GLN HB2 1 19 GLN HE21 . . 4.690 3.004 2.182 4.494 . 0 0 "[ . 1 . 2]" 1
177 1 19 GLN HB2 1 19 GLN HE22 . . 5.090 4.233 3.753 4.954 . 0 0 "[ . 1 . 2]" 1
178 1 19 GLN HB2 1 20 TYR H . . 3.790 3.708 3.653 3.807 0.017 18 0 "[ . 1 . 2]" 1
179 1 19 GLN HB3 1 19 GLN HE21 . . 4.610 2.738 2.034 3.643 . 0 0 "[ . 1 . 2]" 1
180 1 19 GLN HB3 1 20 TYR H . . 4.410 2.307 2.150 2.621 . 0 0 "[ . 1 . 2]" 1
181 1 19 GLN HB3 1 39 VAL MG1 . . 5.290 3.164 2.541 3.827 . 0 0 "[ . 1 . 2]" 1
182 1 19 GLN HE21 1 39 VAL MG1 . . 4.640 3.273 1.989 3.996 . 0 0 "[ . 1 . 2]" 1
183 1 19 GLN HE21 1 39 VAL MG2 . . 5.240 4.238 2.899 5.245 0.005 18 0 "[ . 1 . 2]" 1
184 1 19 GLN HE22 1 19 GLN HG3 . . 4.170 3.755 3.454 4.098 . 0 0 "[ . 1 . 2]" 1
185 1 19 GLN HE22 1 20 TYR H . . 5.500 4.622 3.556 5.438 . 0 0 "[ . 1 . 2]" 1
186 1 19 GLN HE22 1 39 VAL MG1 . . 4.130 2.926 1.909 4.140 0.010 14 0 "[ . 1 . 2]" 1
187 1 19 GLN HE22 1 39 VAL MG2 . . 4.260 3.501 2.410 4.283 0.023 3 0 "[ . 1 . 2]" 1
188 1 19 GLN HG2 1 20 TYR H . . 5.190 2.668 2.056 3.151 . 0 0 "[ . 1 . 2]" 1
189 1 19 GLN HG3 1 20 TYR H . . 4.740 4.033 3.634 4.351 . 0 0 "[ . 1 . 2]" 1
190 1 20 TYR H 1 20 TYR QD . . 3.880 2.331 1.949 2.736 . 0 0 "[ . 1 . 2]" 1
191 1 20 TYR H 1 20 TYR QE . . 5.500 4.128 3.898 4.372 . 0 0 "[ . 1 . 2]" 1
192 1 20 TYR H 1 21 ALA H . . 5.500 4.391 4.310 4.499 . 0 0 "[ . 1 . 2]" 1
193 1 20 TYR H 1 39 VAL MG1 . . 5.140 3.786 2.998 4.986 . 0 0 "[ . 1 . 2]" 1
194 1 20 TYR H 1 39 VAL MG2 . . 5.500 5.432 4.966 5.535 0.035 9 0 "[ . 1 . 2]" 1
195 1 20 TYR H 1 40 GLY H . . 4.350 4.165 3.747 4.374 0.024 15 0 "[ . 1 . 2]" 1
196 1 20 TYR HA 1 21 ALA H . . 3.430 2.190 2.174 2.449 . 0 0 "[ . 1 . 2]" 1
197 1 20 TYR HA 1 21 ALA MB . . 5.500 3.902 3.828 3.945 . 0 0 "[ . 1 . 2]" 1
198 1 20 TYR HB2 1 20 TYR QE . . 4.890 4.402 4.387 4.415 . 0 0 "[ . 1 . 2]" 1
199 1 20 TYR HB2 1 21 ALA H . . 3.770 3.118 2.367 3.183 . 0 0 "[ . 1 . 2]" 1
200 1 20 TYR HB2 1 52 ALA MB . . 4.690 4.664 4.431 4.733 0.043 19 0 "[ . 1 . 2]" 1
201 1 20 TYR HB3 1 20 TYR QE . . 4.390 4.436 4.420 4.461 0.071 20 0 "[ . 1 . 2]" 1
202 1 20 TYR HB3 1 21 ALA H . . 4.350 4.213 3.776 4.288 . 0 0 "[ . 1 . 2]" 1
203 1 20 TYR QD 1 21 ALA H . . 4.610 3.880 3.019 4.139 . 0 0 "[ . 1 . 2]" 1
204 1 20 TYR QD 1 22 TRP H . . 5.500 5.275 4.330 5.520 0.020 8 0 "[ . 1 . 2]" 1
205 1 20 TYR QD 1 45 ALA MB . . 4.290 3.236 2.945 3.714 . 0 0 "[ . 1 . 2]" 1
206 1 20 TYR QD 1 46 ALA HA . . 4.390 3.038 2.343 3.754 . 0 0 "[ . 1 . 2]" 1
207 1 20 TYR QD 1 46 ALA MB . . 3.670 3.291 2.628 3.677 0.007 10 0 "[ . 1 . 2]" 1
208 1 20 TYR QD 1 52 ALA MB . . 4.080 4.079 3.998 4.121 0.041 15 0 "[ . 1 . 2]" 1
209 1 20 TYR QD 1 53 GLY HA2 . . 4.140 2.339 2.019 2.699 . 0 0 "[ . 1 . 2]" 1
210 1 20 TYR QD 1 53 GLY HA3 . . 4.050 2.231 1.992 2.915 . 0 0 "[ . 1 . 2]" 1
211 1 20 TYR QD 1 56 ALA MB . . 4.450 3.847 3.666 4.217 . 0 0 "[ . 1 . 2]" 1
212 1 20 TYR QE 1 40 GLY HA2 . . 4.230 4.166 3.906 4.285 0.055 14 0 "[ . 1 . 2]" 1
213 1 20 TYR QE 1 40 GLY HA3 . . 4.180 2.768 2.456 2.999 . 0 0 "[ . 1 . 2]" 1
214 1 20 TYR QE 1 41 LYS H . . 4.570 3.231 2.607 4.314 . 0 0 "[ . 1 . 2]" 1
215 1 20 TYR QE 1 41 LYS HA . . 5.500 2.845 1.996 4.133 . 0 0 "[ . 1 . 2]" 1
216 1 20 TYR QE 1 42 ASN HB2 . . 5.500 3.783 3.451 4.370 . 0 0 "[ . 1 . 2]" 1
217 1 20 TYR QE 1 42 ASN HB3 . . 5.500 5.115 4.736 5.503 0.003 6 0 "[ . 1 . 2]" 1
218 1 20 TYR QE 1 45 ALA MB . . 3.670 2.504 2.014 2.645 . 0 0 "[ . 1 . 2]" 1
219 1 20 TYR QE 1 46 ALA HA . . 4.850 3.950 2.716 4.876 0.026 14 0 "[ . 1 . 2]" 1
220 1 20 TYR QE 1 46 ALA MB . . 4.070 3.016 1.977 3.515 . 0 0 "[ . 1 . 2]" 1
221 1 20 TYR QE 1 52 ALA MB . . 4.480 4.258 3.935 4.499 0.019 8 0 "[ . 1 . 2]" 1
222 1 20 TYR QE 1 53 GLY HA3 . . 4.710 4.354 3.929 4.712 0.002 17 0 "[ . 1 . 2]" 1
223 1 20 TYR QE 1 56 ALA MB . . 3.880 3.772 3.034 3.914 0.034 15 0 "[ . 1 . 2]" 1
224 1 21 ALA H 1 21 ALA MB . . 3.640 2.604 2.444 2.698 . 0 0 "[ . 1 . 2]" 1
225 1 21 ALA H 1 22 TRP H . . 5.500 4.423 4.257 4.470 . 0 0 "[ . 1 . 2]" 1
226 1 21 ALA H 1 22 TRP HA . . 5.500 4.813 4.727 4.982 . 0 0 "[ . 1 . 2]" 1
227 1 21 ALA HA 1 22 TRP H . . 3.370 2.415 2.146 2.508 . 0 0 "[ . 1 . 2]" 1
228 1 21 ALA HA 1 22 TRP HA . . 5.500 4.477 4.388 4.551 . 0 0 "[ . 1 . 2]" 1
229 1 21 ALA HA 1 38 ASP H . . 5.500 5.168 4.368 5.543 0.043 9 0 "[ . 1 . 2]" 1
230 1 21 ALA HA 1 39 VAL H . . 5.500 4.942 4.748 5.200 . 0 0 "[ . 1 . 2]" 1
231 1 21 ALA HA 1 39 VAL HA . . 3.410 2.165 1.969 2.476 . 0 0 "[ . 1 . 2]" 1
232 1 21 ALA HA 1 39 VAL HB . . 5.160 4.413 3.224 5.185 0.025 20 0 "[ . 1 . 2]" 1
233 1 21 ALA HA 1 39 VAL MG1 . . 4.390 2.838 2.475 3.364 . 0 0 "[ . 1 . 2]" 1
234 1 21 ALA HA 1 39 VAL MG2 . . 4.560 3.975 3.159 4.667 0.107 14 0 "[ . 1 . 2]" 1
235 1 21 ALA HA 1 40 GLY H . . 3.840 3.125 2.371 3.818 . 0 0 "[ . 1 . 2]" 1
236 1 21 ALA MB 1 22 TRP H . . 3.190 2.442 2.192 3.181 . 0 0 "[ . 1 . 2]" 1
237 1 21 ALA MB 1 38 ASP H . . 5.500 3.902 3.263 4.633 . 0 0 "[ . 1 . 2]" 1
238 1 21 ALA MB 1 38 ASP HA . . 5.500 4.573 4.238 5.173 . 0 0 "[ . 1 . 2]" 1
239 1 21 ALA MB 1 39 VAL HA . . 3.610 2.567 1.956 3.129 . 0 0 "[ . 1 . 2]" 1
240 1 21 ALA MB 1 39 VAL HB . . 5.500 3.850 3.094 4.544 . 0 0 "[ . 1 . 2]" 1
241 1 21 ALA MB 1 39 VAL MG1 . . 3.140 2.110 1.704 3.017 . 0 0 "[ . 1 . 2]" 1
242 1 21 ALA MB 1 40 GLY H . . 4.530 4.002 3.267 4.543 0.013 14 0 "[ . 1 . 2]" 1
243 1 22 TRP H 1 22 TRP HD1 . . 4.750 3.604 2.709 4.703 . 0 0 "[ . 1 . 2]" 1
244 1 22 TRP H 1 22 TRP HE1 . . 5.450 4.681 4.082 5.441 . 0 0 "[ . 1 . 2]" 1
245 1 22 TRP H 1 23 ALA H . . 4.460 4.281 4.156 4.450 . 0 0 "[ . 1 . 2]" 1
246 1 22 TRP H 1 37 ALA MB . . 5.500 3.974 3.259 4.796 . 0 0 "[ . 1 . 2]" 1
247 1 22 TRP H 1 38 ASP H . . 3.750 3.326 2.561 3.801 0.051 10 0 "[ . 1 . 2]" 1
248 1 22 TRP H 1 39 VAL HA . . 4.210 3.260 2.808 3.746 . 0 0 "[ . 1 . 2]" 1
249 1 22 TRP H 1 39 VAL MG1 . . 5.210 4.239 3.326 5.194 . 0 0 "[ . 1 . 2]" 1
250 1 22 TRP H 1 56 ALA MB . . 5.500 4.936 4.455 5.506 0.006 6 0 "[ . 1 . 2]" 1
251 1 22 TRP HA 1 23 ALA H . . 3.380 2.170 2.161 2.314 . 0 0 "[ . 1 . 2]" 1
252 1 22 TRP HA 1 23 ALA MB . . 5.500 3.903 3.795 3.958 . 0 0 "[ . 1 . 2]" 1
253 1 22 TRP HA 1 53 GLY HA3 . . 5.500 5.009 4.454 5.336 . 0 0 "[ . 1 . 2]" 1
254 1 22 TRP HA 1 57 ALA H . . 5.500 4.186 3.553 4.855 . 0 0 "[ . 1 . 2]" 1
255 1 22 TRP HA 1 57 ALA HA . . 5.500 4.522 3.888 5.154 . 0 0 "[ . 1 . 2]" 1
256 1 22 TRP HA 1 57 ALA MB . . 3.920 2.919 2.579 3.410 . 0 0 "[ . 1 . 2]" 1
257 1 22 TRP HB2 1 23 ALA H . . 5.500 3.216 2.670 3.271 . 0 0 "[ . 1 . 2]" 1
258 1 22 TRP HB2 1 56 ALA MB . . 5.500 3.173 2.688 3.852 . 0 0 "[ . 1 . 2]" 1
259 1 22 TRP HB2 1 57 ALA H . . 4.870 2.919 2.355 3.512 . 0 0 "[ . 1 . 2]" 1
260 1 22 TRP HB2 1 57 ALA HA . . 5.500 2.300 1.991 2.764 . 0 0 "[ . 1 . 2]" 1
261 1 22 TRP HB2 1 57 ALA MB . . 3.820 2.222 1.968 2.677 . 0 0 "[ . 1 . 2]" 1
262 1 22 TRP HB2 1 60 TYR QD . . 5.350 3.837 2.860 4.951 . 0 0 "[ . 1 . 2]" 1
263 1 22 TRP HB3 1 23 ALA H . . 5.500 4.071 3.751 4.241 . 0 0 "[ . 1 . 2]" 1
264 1 22 TRP HB3 1 56 ALA MB . . 5.310 2.394 1.903 2.989 . 0 0 "[ . 1 . 2]" 1
265 1 22 TRP HB3 1 57 ALA H . . 4.830 3.011 2.546 3.383 . 0 0 "[ . 1 . 2]" 1
266 1 22 TRP HB3 1 57 ALA HA . . 5.500 3.700 3.338 4.241 . 0 0 "[ . 1 . 2]" 1
267 1 22 TRP HB3 1 57 ALA MB . . 3.980 3.198 2.739 3.563 . 0 0 "[ . 1 . 2]" 1
268 1 22 TRP HD1 1 56 ALA MB . . 3.940 3.387 2.816 3.952 0.012 14 0 "[ . 1 . 2]" 1
269 1 22 TRP HE1 1 38 ASP HB2 . . 4.180 3.783 2.181 4.191 0.011 6 0 "[ . 1 . 2]" 1
270 1 22 TRP HE1 1 38 ASP HB3 . . 4.760 4.121 2.824 4.766 0.006 15 0 "[ . 1 . 2]" 1
271 1 22 TRP HE1 1 60 TYR QE . . 3.910 3.788 3.038 3.924 0.014 16 0 "[ . 1 . 2]" 1
272 1 22 TRP HE3 1 56 ALA MB . . 5.500 4.261 2.783 5.308 . 0 0 "[ . 1 . 2]" 1
273 1 22 TRP HZ2 1 38 ASP HB2 . . 3.980 3.081 2.581 3.813 . 0 0 "[ . 1 . 2]" 1
274 1 22 TRP HZ2 1 38 ASP HB3 . . 4.080 3.197 2.476 3.777 . 0 0 "[ . 1 . 2]" 1
275 1 22 TRP HZ2 1 60 TYR QE . . 4.210 4.036 3.289 4.229 0.019 14 0 "[ . 1 . 2]" 1
276 1 23 ALA H 1 23 ALA MB . . 3.650 2.602 2.485 2.800 . 0 0 "[ . 1 . 2]" 1
277 1 23 ALA H 1 24 TYR H . . 4.720 4.416 4.278 4.460 . 0 0 "[ . 1 . 2]" 1
278 1 23 ALA H 1 37 ALA MB . . 5.500 4.154 3.536 4.682 . 0 0 "[ . 1 . 2]" 1
279 1 23 ALA H 1 57 ALA MB . . 3.570 2.534 2.082 3.158 . 0 0 "[ . 1 . 2]" 1
280 1 23 ALA HA 1 24 TYR H . . 3.160 2.396 2.169 2.538 . 0 0 "[ . 1 . 2]" 1
281 1 23 ALA HA 1 24 TYR QD . . 5.500 3.920 2.753 4.130 . 0 0 "[ . 1 . 2]" 1
282 1 23 ALA HA 1 37 ALA HA . . 3.360 2.848 2.203 3.485 0.125 10 0 "[ . 1 . 2]" 1
283 1 23 ALA HA 1 37 ALA MB . . 3.500 2.658 1.971 3.240 . 0 0 "[ . 1 . 2]" 1
284 1 23 ALA HA 1 38 ASP H . . 3.820 3.773 3.537 3.891 0.071 9 0 "[ . 1 . 2]" 1
285 1 23 ALA HA 1 57 ALA MB . . 5.500 4.056 3.611 4.477 . 0 0 "[ . 1 . 2]" 1
286 1 23 ALA MB 1 24 TYR H . . 3.490 2.524 2.289 3.054 . 0 0 "[ . 1 . 2]" 1
287 1 23 ALA MB 1 24 TYR HA . . 5.500 3.831 3.707 4.052 . 0 0 "[ . 1 . 2]" 1
288 1 23 ALA MB 1 37 ALA HA . . 3.450 3.210 2.777 3.470 0.020 16 0 "[ . 1 . 2]" 1
289 1 23 ALA MB 1 37 ALA MB . . 2.790 1.867 1.696 2.152 . 0 0 "[ . 1 . 2]" 1
290 1 23 ALA MB 1 38 ASP H . . 5.500 3.918 2.994 4.298 . 0 0 "[ . 1 . 2]" 1
291 1 23 ALA MB 1 57 ALA MB . . 5.500 4.136 3.849 4.639 . 0 0 "[ . 1 . 2]" 1
292 1 24 TYR H 1 24 TYR QD . . 4.320 2.868 2.277 3.290 . 0 0 "[ . 1 . 2]" 1
293 1 24 TYR H 1 26 PHE QD . . 5.390 5.175 4.761 5.396 0.006 4 0 "[ . 1 . 2]" 1
294 1 24 TYR H 1 37 ALA HA . . 4.350 4.089 3.770 4.377 0.027 10 0 "[ . 1 . 2]" 1
295 1 24 TYR H 1 37 ALA MB . . 4.090 3.848 3.033 4.154 0.064 10 0 "[ . 1 . 2]" 1
296 1 24 TYR HA 1 25 ALA H . . 3.370 2.389 2.195 2.572 . 0 0 "[ . 1 . 2]" 1
297 1 24 TYR HA 1 25 ALA MB . . 5.000 3.951 3.835 4.026 . 0 0 "[ . 1 . 2]" 1
298 1 24 TYR HB2 1 25 ALA H . . 4.030 2.514 2.070 3.093 . 0 0 "[ . 1 . 2]" 1
299 1 24 TYR HB2 1 26 PHE QD . . 5.500 3.206 2.767 4.190 . 0 0 "[ . 1 . 2]" 1
300 1 24 TYR HB2 1 26 PHE QE . . 4.320 2.838 2.348 4.021 . 0 0 "[ . 1 . 2]" 1
301 1 24 TYR HB2 1 57 ALA MB . . 4.550 4.548 4.253 4.626 0.076 2 0 "[ . 1 . 2]" 1
302 1 24 TYR HB2 1 61 ALA MB . . 4.970 3.170 2.489 3.632 . 0 0 "[ . 1 . 2]" 1
303 1 24 TYR HB3 1 25 ALA H . . 4.710 3.571 3.370 3.854 . 0 0 "[ . 1 . 2]" 1
304 1 24 TYR HB3 1 26 PHE QE . . 4.420 3.914 3.484 4.502 0.082 10 0 "[ . 1 . 2]" 1
305 1 24 TYR HB3 1 57 ALA MB . . 4.320 2.980 2.731 3.043 . 0 0 "[ . 1 . 2]" 1
306 1 24 TYR HB3 1 58 ALA HA . . 5.500 5.046 4.565 5.509 0.009 16 0 "[ . 1 . 2]" 1
307 1 24 TYR HB3 1 61 ALA MB . . 4.330 2.764 2.076 3.531 . 0 0 "[ . 1 . 2]" 1
308 1 24 TYR QD 1 25 ALA H . . 5.180 3.902 3.384 4.325 . 0 0 "[ . 1 . 2]" 1
309 1 24 TYR QD 1 25 ALA HA . . 5.500 3.984 3.701 4.576 . 0 0 "[ . 1 . 2]" 1
310 1 24 TYR QD 1 26 PHE H . . 5.500 4.191 3.567 5.097 . 0 0 "[ . 1 . 2]" 1
311 1 24 TYR QD 1 26 PHE HA . . 5.500 5.010 4.201 5.510 0.010 6 0 "[ . 1 . 2]" 1
312 1 24 TYR QD 1 26 PHE QD . . 3.630 2.518 1.962 2.866 . 0 0 "[ . 1 . 2]" 1
313 1 24 TYR QD 1 60 TYR H . . 5.500 4.977 4.524 5.580 0.080 9 0 "[ . 1 . 2]" 1
314 1 24 TYR QD 1 60 TYR HB2 . . 5.500 3.426 2.874 3.982 . 0 0 "[ . 1 . 2]" 1
315 1 24 TYR QD 1 61 ALA MB . . 4.490 2.714 2.322 3.389 . 0 0 "[ . 1 . 2]" 1
316 1 24 TYR QE 1 26 PHE QD . . 4.130 3.838 2.382 4.140 0.010 8 0 "[ . 1 . 2]" 1
317 1 24 TYR QE 1 26 PHE QE . . 4.490 3.523 3.011 3.969 . 0 0 "[ . 1 . 2]" 1
318 1 24 TYR QE 1 60 TYR HB2 . . 3.990 2.090 1.990 2.745 . 0 0 "[ . 1 . 2]" 1
319 1 24 TYR QE 1 61 ALA MB . . 4.190 4.144 3.622 4.229 0.039 17 0 "[ . 1 . 2]" 1
320 1 25 ALA H 1 25 ALA MB . . 3.570 2.289 2.213 2.369 . 0 0 "[ . 1 . 2]" 1
321 1 25 ALA HA 1 26 PHE H . . 3.830 2.161 2.141 2.251 . 0 0 "[ . 1 . 2]" 1
322 1 25 ALA HA 1 26 PHE QD . . 5.500 3.649 3.393 3.901 . 0 0 "[ . 1 . 2]" 1
323 1 25 ALA MB 1 26 PHE H . . 3.900 3.168 2.750 3.425 . 0 0 "[ . 1 . 2]" 1
324 1 25 ALA MB 1 26 PHE QD . . 5.500 4.326 4.235 4.694 . 0 0 "[ . 1 . 2]" 1
325 1 25 ALA MB 1 27 VAL MG2 . . 3.540 3.475 3.300 3.647 0.107 10 0 "[ . 1 . 2]" 1
326 1 26 PHE H 1 26 PHE QD . . 4.060 2.912 2.667 3.266 . 0 0 "[ . 1 . 2]" 1
327 1 26 PHE H 1 27 VAL H . . 5.280 4.466 4.269 4.556 . 0 0 "[ . 1 . 2]" 1
328 1 26 PHE H 1 34 TYR H . . 5.500 4.206 3.750 5.386 . 0 0 "[ . 1 . 2]" 1
329 1 26 PHE HA 1 26 PHE QE . . 5.350 4.455 4.247 5.279 . 0 0 "[ . 1 . 2]" 1
330 1 26 PHE HB2 1 33 HIS HB3 . . 4.110 3.957 2.984 4.164 0.054 7 0 "[ . 1 . 2]" 1
331 1 26 PHE HB2 1 34 TYR H . . 3.870 2.897 2.446 3.397 . 0 0 "[ . 1 . 2]" 1
332 1 26 PHE HB2 1 34 TYR QD . . 4.130 3.514 2.827 4.009 . 0 0 "[ . 1 . 2]" 1
333 1 26 PHE QD 1 33 HIS HB3 . . 4.140 4.065 3.603 4.174 0.034 9 0 "[ . 1 . 2]" 1
334 1 26 PHE QD 1 34 TYR H . . 5.500 4.291 2.547 4.951 . 0 0 "[ . 1 . 2]" 1
335 1 26 PHE QD 1 34 TYR QD . . 4.750 2.312 1.986 3.852 . 0 0 "[ . 1 . 2]" 1
336 1 26 PHE QE 1 34 TYR QD . . 4.720 3.740 3.307 4.767 0.047 9 0 "[ . 1 . 2]" 1
337 1 26 PHE QE 1 61 ALA MB . . 4.550 3.512 2.684 4.743 0.193 9 0 "[ . 1 . 2]" 1
338 1 27 VAL H 1 27 VAL HB . . 3.720 2.755 2.564 2.835 . 0 0 "[ . 1 . 2]" 1
339 1 27 VAL H 1 27 VAL MG1 . . 4.640 3.775 3.712 3.825 . 0 0 "[ . 1 . 2]" 1
340 1 27 VAL H 1 27 VAL MG2 . . 3.900 3.318 3.183 3.387 . 0 0 "[ . 1 . 2]" 1
341 1 27 VAL H 1 33 HIS HB3 . . 4.610 4.480 4.221 4.705 0.095 10 0 "[ . 1 . 2]" 1
342 1 27 VAL HA 1 27 VAL MG1 . . 3.380 2.523 2.486 2.564 . 0 0 "[ . 1 . 2]" 1
343 1 27 VAL HA 1 27 VAL MG2 . . 3.320 2.258 2.198 2.290 . 0 0 "[ . 1 . 2]" 1
344 1 27 VAL HA 1 28 LYS H . . 3.060 2.162 2.148 2.196 . 0 0 "[ . 1 . 2]" 1
345 1 27 VAL HA 1 28 LYS HG2 . . 5.500 4.564 4.170 4.974 . 0 0 "[ . 1 . 2]" 1
346 1 27 VAL HA 1 31 LYS H . . 5.500 4.144 3.983 4.615 . 0 0 "[ . 1 . 2]" 1
347 1 27 VAL HA 1 32 VAL HA . . 3.750 2.754 2.564 3.241 . 0 0 "[ . 1 . 2]" 1
348 1 27 VAL HA 1 32 VAL MG2 . . 5.500 4.484 4.272 4.791 . 0 0 "[ . 1 . 2]" 1
349 1 27 VAL HA 1 33 HIS H . . 4.840 2.425 2.076 2.739 . 0 0 "[ . 1 . 2]" 1
350 1 27 VAL MG1 1 27 VAL MG2 . . 2.860 2.068 2.033 2.098 . 0 0 "[ . 1 . 2]" 1
351 1 27 VAL MG1 1 28 LYS H . . 3.550 2.453 2.239 2.954 . 0 0 "[ . 1 . 2]" 1
352 1 27 VAL MG1 1 28 LYS HA . . 3.950 3.402 3.230 3.624 . 0 0 "[ . 1 . 2]" 1
353 1 27 VAL MG1 1 28 LYS HB2 . . 5.500 4.630 4.413 5.358 . 0 0 "[ . 1 . 2]" 1
354 1 27 VAL MG1 1 28 LYS HB3 . . 5.500 5.014 4.945 5.089 . 0 0 "[ . 1 . 2]" 1
355 1 27 VAL MG1 1 28 LYS HG2 . . 5.500 4.755 4.443 5.617 0.117 15 0 "[ . 1 . 2]" 1
356 1 27 VAL MG1 1 28 LYS HG3 . . 5.500 5.392 4.492 5.579 0.079 17 0 "[ . 1 . 2]" 1
357 1 27 VAL MG1 1 30 GLY H . . 4.040 2.586 2.272 2.889 . 0 0 "[ . 1 . 2]" 1
358 1 27 VAL MG1 1 30 GLY HA2 . . 4.900 2.559 2.191 2.930 . 0 0 "[ . 1 . 2]" 1
359 1 27 VAL MG1 1 30 GLY HA3 . . 4.380 3.807 3.507 4.141 . 0 0 "[ . 1 . 2]" 1
360 1 27 VAL MG1 1 31 LYS H . . 3.690 2.027 1.905 2.658 . 0 0 "[ . 1 . 2]" 1
361 1 27 VAL MG1 1 31 LYS HA . . 5.500 3.213 2.932 3.595 . 0 0 "[ . 1 . 2]" 1
362 1 27 VAL MG1 1 31 LYS HB2 . . 5.500 4.730 4.561 5.075 . 0 0 "[ . 1 . 2]" 1
363 1 27 VAL MG1 1 31 LYS HG2 . . 5.500 3.984 3.579 4.292 . 0 0 "[ . 1 . 2]" 1
364 1 27 VAL MG1 1 31 LYS HG3 . . 5.500 4.537 4.296 5.051 . 0 0 "[ . 1 . 2]" 1
365 1 27 VAL MG1 1 32 VAL HA . . 4.720 3.806 3.542 4.163 . 0 0 "[ . 1 . 2]" 1
366 1 27 VAL MG1 1 32 VAL MG1 . . 5.500 5.171 4.900 5.494 . 0 0 "[ . 1 . 2]" 1
367 1 27 VAL MG1 1 33 HIS HB3 . . 5.370 5.352 5.064 5.450 0.080 9 0 "[ . 1 . 2]" 1
368 1 27 VAL MG1 1 134 ALA MB . . 5.500 5.428 5.019 5.539 0.039 9 0 "[ . 1 . 2]" 1
369 1 27 VAL MG2 1 28 LYS H . . 4.080 3.731 3.611 3.970 . 0 0 "[ . 1 . 2]" 1
370 1 27 VAL MG2 1 31 LYS HA . . 5.500 3.679 3.493 4.131 . 0 0 "[ . 1 . 2]" 1
371 1 27 VAL MG2 1 31 LYS HB2 . . 5.500 5.165 5.022 5.548 0.048 17 0 "[ . 1 . 2]" 1
372 1 27 VAL MG2 1 31 LYS HG2 . . 5.500 5.496 4.780 5.592 0.092 9 0 "[ . 1 . 2]" 1
373 1 27 VAL MG2 1 31 LYS HG3 . . 5.500 5.472 5.340 5.550 0.050 20 0 "[ . 1 . 2]" 1
374 1 27 VAL MG2 1 32 VAL HA . . 3.710 2.283 1.955 2.681 . 0 0 "[ . 1 . 2]" 1
375 1 27 VAL MG2 1 32 VAL MG1 . . 5.500 3.580 3.127 4.015 . 0 0 "[ . 1 . 2]" 1
376 1 27 VAL MG2 1 33 HIS H . . 5.080 3.406 3.189 3.617 . 0 0 "[ . 1 . 2]" 1
377 1 27 VAL MG2 1 33 HIS HB3 . . 5.220 5.096 4.829 5.219 . 0 0 "[ . 1 . 2]" 1
378 1 28 LYS H 1 28 LYS HB2 . . 4.350 2.726 2.487 3.764 . 0 0 "[ . 1 . 2]" 1
379 1 28 LYS H 1 28 LYS HG2 . . 5.250 3.510 2.903 3.716 . 0 0 "[ . 1 . 2]" 1
380 1 28 LYS H 1 28 LYS HG3 . . 5.500 3.733 2.201 4.233 . 0 0 "[ . 1 . 2]" 1
381 1 28 LYS H 1 31 LYS H . . 3.810 3.037 2.781 3.512 . 0 0 "[ . 1 . 2]" 1
382 1 28 LYS H 1 32 VAL HA . . 4.760 4.007 3.786 4.258 . 0 0 "[ . 1 . 2]" 1
383 1 28 LYS H 1 33 HIS HB3 . . 5.500 3.680 3.279 3.957 . 0 0 "[ . 1 . 2]" 1
384 1 28 LYS HA 1 28 LYS HG2 . . 4.150 2.591 2.271 4.150 0.000 15 0 "[ . 1 . 2]" 1
385 1 28 LYS HA 1 28 LYS HG3 . . 3.850 3.593 3.558 3.694 . 0 0 "[ . 1 . 2]" 1
386 1 28 LYS HA 1 29 ASP H . . 4.070 2.185 2.146 2.221 . 0 0 "[ . 1 . 2]" 1
387 1 28 LYS HA 1 30 GLY H . . 5.500 3.269 3.168 3.403 . 0 0 "[ . 1 . 2]" 1
388 1 28 LYS HB2 1 28 LYS HE2 . . 5.500 4.295 2.853 5.057 . 0 0 "[ . 1 . 2]" 1
389 1 28 LYS HB2 1 28 LYS HE3 . . 5.500 3.474 2.880 4.306 . 0 0 "[ . 1 . 2]" 1
390 1 28 LYS HB2 1 33 HIS HB3 . . 5.500 3.745 3.283 5.533 0.033 16 0 "[ . 1 . 2]" 1
391 1 28 LYS HB3 1 28 LYS HE2 . . 5.500 4.008 2.391 5.005 . 0 0 "[ . 1 . 2]" 1
392 1 28 LYS HB3 1 28 LYS HE3 . . 5.500 3.243 2.394 4.772 . 0 0 "[ . 1 . 2]" 1
393 1 28 LYS HB3 1 33 HIS HB3 . . 5.400 4.897 4.036 5.292 . 0 0 "[ . 1 . 2]" 1
394 1 28 LYS HD2 1 29 ASP HA . . 5.500 5.426 4.658 5.535 0.035 19 0 "[ . 1 . 2]" 1
395 1 28 LYS HD2 1 70 VAL MG1 . . 5.500 3.529 3.118 3.989 . 0 0 "[ . 1 . 2]" 1
396 1 28 LYS HD2 1 70 VAL MG2 . . 5.500 5.326 4.837 5.547 0.047 7 0 "[ . 1 . 2]" 1
397 1 28 LYS HG2 1 29 ASP H . . 5.500 4.434 4.209 5.287 . 0 0 "[ . 1 . 2]" 1
398 1 28 LYS HG2 1 33 HIS HB3 . . 3.900 3.778 2.939 3.927 0.027 18 0 "[ . 1 . 2]" 1
399 1 28 LYS HG2 1 68 LEU MD2 . . 5.500 2.486 2.010 2.961 . 0 0 "[ . 1 . 2]" 1
400 1 28 LYS HG2 1 70 VAL MG2 . . 5.500 4.154 3.491 5.061 . 0 0 "[ . 1 . 2]" 1
401 1 28 LYS HG3 1 29 ASP H . . 5.500 5.140 4.324 5.404 . 0 0 "[ . 1 . 2]" 1
402 1 28 LYS HG3 1 33 HIS HB3 . . 3.700 3.205 2.898 3.785 0.085 15 0 "[ . 1 . 2]" 1
403 1 29 ASP H 1 30 GLY H . . 5.160 2.594 2.557 2.616 . 0 0 "[ . 1 . 2]" 1
404 1 29 ASP HA 1 30 GLY H . . 3.740 3.139 3.116 3.193 . 0 0 "[ . 1 . 2]" 1
405 1 29 ASP HA 1 30 GLY HA3 . . 5.500 4.412 4.406 4.424 . 0 0 "[ . 1 . 2]" 1
406 1 29 ASP HB2 1 30 GLY H . . 5.500 4.153 3.814 4.323 . 0 0 "[ . 1 . 2]" 1
407 1 30 GLY H 1 31 LYS H . . 3.950 2.310 2.264 2.375 . 0 0 "[ . 1 . 2]" 1
408 1 30 GLY HA2 1 31 LYS H . . 4.290 3.030 2.974 3.202 . 0 0 "[ . 1 . 2]" 1
409 1 30 GLY HA3 1 31 LYS H . . 4.440 3.456 3.344 3.484 . 0 0 "[ . 1 . 2]" 1
410 1 31 LYS H 1 31 LYS HB2 . . 3.830 3.878 3.849 3.919 0.089 19 0 "[ . 1 . 2]" 1
411 1 31 LYS H 1 31 LYS HB3 . . 3.770 3.385 2.981 3.526 . 0 0 "[ . 1 . 2]" 1
412 1 31 LYS H 1 31 LYS HD2 . . 5.500 4.754 3.602 5.228 . 0 0 "[ . 1 . 2]" 1
413 1 31 LYS H 1 31 LYS HD3 . . 5.500 4.925 4.382 5.049 . 0 0 "[ . 1 . 2]" 1
414 1 31 LYS H 1 31 LYS HE2 . . 5.500 4.913 4.110 5.502 0.002 20 0 "[ . 1 . 2]" 1
415 1 31 LYS H 1 31 LYS HE3 . . 5.500 4.287 3.773 5.500 0.000 8 0 "[ . 1 . 2]" 1
416 1 31 LYS H 1 31 LYS HG2 . . 4.320 2.377 2.284 2.654 . 0 0 "[ . 1 . 2]" 1
417 1 31 LYS H 1 31 LYS HG3 . . 4.320 3.406 3.108 4.041 . 0 0 "[ . 1 . 2]" 1
418 1 31 LYS H 1 32 VAL H . . 5.170 4.396 4.375 4.439 . 0 0 "[ . 1 . 2]" 1
419 1 31 LYS HA 1 31 LYS HD2 . . 5.500 5.364 4.563 5.515 0.015 15 0 "[ . 1 . 2]" 1
420 1 31 LYS HA 1 31 LYS HD3 . . 5.500 4.763 4.545 5.520 0.020 20 0 "[ . 1 . 2]" 1
421 1 31 LYS HA 1 31 LYS HE2 . . 5.500 4.841 4.389 5.501 0.001 19 0 "[ . 1 . 2]" 1
422 1 31 LYS HA 1 31 LYS HE3 . . 5.500 5.060 4.590 5.500 0.000 6 0 "[ . 1 . 2]" 1
423 1 31 LYS HA 1 31 LYS HG2 . . 3.580 3.627 3.595 3.674 0.094 20 0 "[ . 1 . 2]" 1
424 1 31 LYS HA 1 31 LYS HG3 . . 4.050 3.862 3.742 3.909 . 0 0 "[ . 1 . 2]" 1
425 1 31 LYS HA 1 32 VAL H . . 5.120 2.393 2.320 2.602 . 0 0 "[ . 1 . 2]" 1
426 1 31 LYS HA 1 32 VAL HB . . 5.500 4.994 4.898 5.098 . 0 0 "[ . 1 . 2]" 1
427 1 31 LYS HB2 1 31 LYS HE2 . . 5.500 3.628 2.394 4.442 . 0 0 "[ . 1 . 2]" 1
428 1 31 LYS HB2 1 31 LYS HE3 . . 5.500 4.079 2.807 4.522 . 0 0 "[ . 1 . 2]" 1
429 1 31 LYS HB2 1 32 VAL H . . 3.680 2.500 2.251 2.638 . 0 0 "[ . 1 . 2]" 1
430 1 31 LYS HB3 1 31 LYS HE2 . . 5.500 2.658 2.048 3.243 . 0 0 "[ . 1 . 2]" 1
431 1 31 LYS HB3 1 31 LYS HE3 . . 5.500 3.122 2.705 3.736 . 0 0 "[ . 1 . 2]" 1
432 1 31 LYS HB3 1 32 VAL H . . 3.820 3.733 3.598 3.915 0.095 8 0 "[ . 1 . 2]" 1
433 1 31 LYS HG2 1 32 VAL H . . 4.760 4.560 3.487 4.825 0.065 4 0 "[ . 1 . 2]" 1
434 1 31 LYS HG3 1 32 VAL H . . 4.320 3.825 2.783 4.114 . 0 0 "[ . 1 . 2]" 1
435 1 32 VAL H 1 32 VAL HB . . 3.240 2.612 2.505 2.658 . 0 0 "[ . 1 . 2]" 1
436 1 32 VAL H 1 32 VAL MG1 . . 4.620 3.765 3.760 3.787 . 0 0 "[ . 1 . 2]" 1
437 1 32 VAL H 1 32 VAL MG2 . . 3.660 2.146 2.007 2.542 . 0 0 "[ . 1 . 2]" 1
438 1 32 VAL HA 1 32 VAL MG1 . . 3.530 2.322 2.242 2.402 . 0 0 "[ . 1 . 2]" 1
439 1 32 VAL HA 1 32 VAL MG2 . . 3.410 2.349 2.283 2.409 . 0 0 "[ . 1 . 2]" 1
440 1 32 VAL HA 1 33 HIS H . . 3.340 2.148 2.140 2.193 . 0 0 "[ . 1 . 2]" 1
441 1 32 VAL HA 1 34 TYR H . . 5.500 4.083 3.793 4.365 . 0 0 "[ . 1 . 2]" 1
442 1 32 VAL HB 1 33 HIS H . . 5.500 4.222 4.100 4.433 . 0 0 "[ . 1 . 2]" 1
443 1 32 VAL MG1 1 33 HIS H . . 4.020 2.764 2.572 3.146 . 0 0 "[ . 1 . 2]" 1
444 1 32 VAL MG1 1 33 HIS HA . . 5.500 3.897 3.689 4.298 . 0 0 "[ . 1 . 2]" 1
445 1 32 VAL MG1 1 34 TYR H . . 3.520 3.232 2.911 3.525 0.005 17 0 "[ . 1 . 2]" 1
446 1 32 VAL MG1 1 34 TYR HB2 . . 5.500 5.197 4.779 5.518 0.018 15 0 "[ . 1 . 2]" 1
447 1 32 VAL MG2 1 33 HIS H . . 4.850 4.108 4.008 4.204 . 0 0 "[ . 1 . 2]" 1
448 1 33 HIS H 1 34 TYR H . . 3.340 2.273 2.114 2.781 . 0 0 "[ . 1 . 2]" 1
449 1 33 HIS HA 1 34 TYR H . . 4.150 3.556 3.529 3.571 . 0 0 "[ . 1 . 2]" 1
450 1 33 HIS HB2 1 34 TYR H . . 4.400 3.641 3.444 3.962 . 0 0 "[ . 1 . 2]" 1
451 1 33 HIS HB2 1 34 TYR QD . . 5.500 5.112 3.643 5.515 0.015 5 0 "[ . 1 . 2]" 1
452 1 33 HIS HB3 1 34 TYR H . . 3.830 2.394 2.186 2.643 . 0 0 "[ . 1 . 2]" 1
453 1 33 HIS HB3 1 34 TYR HB3 . . 5.500 4.864 3.572 5.175 . 0 0 "[ . 1 . 2]" 1
454 1 33 HIS HB3 1 34 TYR QD . . 3.880 3.633 1.988 3.900 0.020 7 0 "[ . 1 . 2]" 1
455 1 34 TYR H 1 34 TYR HB3 . . 4.380 3.629 2.902 3.824 . 0 0 "[ . 1 . 2]" 1
456 1 34 TYR H 1 34 TYR QD . . 4.320 3.618 2.200 4.095 . 0 0 "[ . 1 . 2]" 1
457 1 34 TYR HA 1 34 TYR QD . . 4.350 2.367 1.984 3.703 . 0 0 "[ . 1 . 2]" 1
458 1 34 TYR HB2 1 34 TYR QE . . 4.370 4.395 4.383 4.418 0.048 5 0 "[ . 1 . 2]" 1
459 1 34 TYR HB2 1 68 LEU MD2 . . 5.500 4.590 4.089 5.640 0.140 10 0 "[ . 1 . 2]" 1
460 1 34 TYR HB3 1 68 LEU MD2 . . 5.500 5.253 4.058 5.523 0.023 6 0 "[ . 1 . 2]" 1
461 1 34 TYR QD 1 68 LEU MD1 . . 4.600 3.997 3.721 4.589 . 0 0 "[ . 1 . 2]" 1
462 1 34 TYR QD 1 68 LEU MD2 . . 5.500 2.831 2.536 3.360 . 0 0 "[ . 1 . 2]" 1
463 1 34 TYR QE 1 68 LEU MD1 . . 4.160 4.062 2.684 4.191 0.031 9 0 "[ . 1 . 2]" 1
464 1 34 TYR QE 1 68 LEU MD2 . . 4.680 2.839 1.881 4.535 . 0 0 "[ . 1 . 2]" 1
465 1 37 ALA H 1 37 ALA MB . . 3.360 2.523 2.197 2.899 . 0 0 "[ . 1 . 2]" 1
466 1 37 ALA H 1 38 ASP H . . 4.500 4.390 3.664 4.519 0.019 12 0 "[ . 1 . 2]" 1
467 1 37 ALA HA 1 38 ASP H . . 3.060 2.558 2.155 2.735 . 0 0 "[ . 1 . 2]" 1
468 1 37 ALA MB 1 38 ASP H . . 3.370 2.229 1.918 3.376 0.006 15 0 "[ . 1 . 2]" 1
469 1 37 ALA MB 1 38 ASP HA . . 5.500 3.843 3.711 4.073 . 0 0 "[ . 1 . 2]" 1
470 1 38 ASP H 1 38 ASP HB2 . . 4.400 2.863 2.607 2.978 . 0 0 "[ . 1 . 2]" 1
471 1 38 ASP H 1 39 VAL H . . 5.230 4.324 4.167 4.410 . 0 0 "[ . 1 . 2]" 1
472 1 38 ASP HA 1 39 VAL H . . 3.200 2.323 2.160 2.657 . 0 0 "[ . 1 . 2]" 1
473 1 38 ASP HB2 1 39 VAL H . . 4.180 3.907 3.181 4.188 0.008 14 0 "[ . 1 . 2]" 1
474 1 38 ASP HB3 1 39 VAL H . . 4.510 2.750 1.949 3.222 . 0 0 "[ . 1 . 2]" 1
475 1 39 VAL H 1 39 VAL HB . . 3.740 3.113 2.651 3.762 0.022 16 0 "[ . 1 . 2]" 1
476 1 39 VAL H 1 39 VAL MG1 . . 3.820 3.488 2.676 3.909 0.089 10 0 "[ . 1 . 2]" 1
477 1 39 VAL H 1 39 VAL MG2 . . 3.420 2.275 1.925 2.767 . 0 0 "[ . 1 . 2]" 1
478 1 39 VAL H 1 40 GLY H . . 4.710 4.514 4.472 4.557 . 0 0 "[ . 1 . 2]" 1
479 1 39 VAL HA 1 39 VAL MG1 . . 3.410 2.270 2.211 2.378 . 0 0 "[ . 1 . 2]" 1
480 1 39 VAL HA 1 40 GLY H . . 3.140 2.378 2.322 2.532 . 0 0 "[ . 1 . 2]" 1
481 1 39 VAL HA 1 40 GLY HA2 . . 5.500 4.394 4.342 4.454 . 0 0 "[ . 1 . 2]" 1
482 1 39 VAL HA 1 40 GLY HA3 . . 5.500 4.376 4.335 4.454 . 0 0 "[ . 1 . 2]" 1
483 1 39 VAL HB 1 40 GLY H . . 3.590 3.089 2.135 3.647 0.057 9 0 "[ . 1 . 2]" 1
484 1 39 VAL MG1 1 39 VAL MG2 . . 2.960 2.042 1.904 2.089 . 0 0 "[ . 1 . 2]" 1
485 1 39 VAL MG1 1 40 GLY H . . 3.670 2.648 1.969 3.707 0.037 14 0 "[ . 1 . 2]" 1
486 1 39 VAL MG1 1 40 GLY HA2 . . 5.500 4.473 3.680 5.516 0.016 2 0 "[ . 1 . 2]" 1
487 1 39 VAL MG2 1 40 GLY H . . 3.800 3.695 2.956 3.935 0.135 3 0 "[ . 1 . 2]" 1
488 1 39 VAL MG2 1 40 GLY HA2 . . 5.500 4.901 3.562 5.568 0.068 1 0 "[ . 1 . 2]" 1
489 1 40 GLY H 1 41 LYS H . . 5.500 4.334 4.113 4.527 . 0 0 "[ . 1 . 2]" 1
490 1 40 GLY HA2 1 41 LYS H . . 3.280 2.690 2.266 3.007 . 0 0 "[ . 1 . 2]" 1
491 1 40 GLY HA2 1 41 LYS HA . . 5.500 4.647 4.427 4.785 . 0 0 "[ . 1 . 2]" 1
492 1 40 GLY HA2 1 41 LYS HG2 . . 5.500 4.462 3.758 5.189 . 0 0 "[ . 1 . 2]" 1
493 1 40 GLY HA3 1 41 LYS H . . 3.660 2.468 2.211 2.918 . 0 0 "[ . 1 . 2]" 1
494 1 40 GLY HA3 1 41 LYS HA . . 5.500 4.320 4.290 4.411 . 0 0 "[ . 1 . 2]" 1
495 1 40 GLY HA3 1 41 LYS HD2 . . 5.500 4.682 4.278 5.406 . 0 0 "[ . 1 . 2]" 1
496 1 41 LYS H 1 41 LYS HB2 . . 4.270 3.917 2.772 4.056 . 0 0 "[ . 1 . 2]" 1
497 1 41 LYS H 1 41 LYS HB3 . . 3.850 3.585 3.219 3.847 . 0 0 "[ . 1 . 2]" 1
498 1 41 LYS H 1 41 LYS HG2 . . 5.500 3.220 2.376 4.383 . 0 0 "[ . 1 . 2]" 1
499 1 41 LYS H 1 41 LYS HG3 . . 5.500 3.817 2.766 4.408 . 0 0 "[ . 1 . 2]" 1
500 1 41 LYS H 1 42 ASN H . . 4.140 2.200 1.876 2.785 . 0 0 "[ . 1 . 2]" 1
501 1 41 LYS HA 1 41 LYS HD2 . . 5.500 3.972 3.752 4.602 . 0 0 "[ . 1 . 2]" 1
502 1 41 LYS HA 1 41 LYS HD3 . . 5.500 4.490 4.236 4.724 . 0 0 "[ . 1 . 2]" 1
503 1 41 LYS HA 1 42 ASN H . . 3.450 2.832 2.607 3.503 0.053 1 0 "[ . 1 . 2]" 1
504 1 41 LYS HB2 1 41 LYS HE2 . . 5.500 4.294 3.738 5.139 . 0 0 "[ . 1 . 2]" 1
505 1 41 LYS HB2 1 41 LYS HE3 . . 5.500 4.407 3.677 5.083 . 0 0 "[ . 1 . 2]" 1
506 1 41 LYS HB3 1 41 LYS HE2 . . 5.500 4.242 3.282 5.445 . 0 0 "[ . 1 . 2]" 1
507 1 41 LYS HB3 1 41 LYS HE3 . . 5.500 3.926 3.002 4.707 . 0 0 "[ . 1 . 2]" 1
508 1 41 LYS HD2 1 42 ASN H . . 5.500 4.889 3.386 5.507 0.007 15 0 "[ . 1 . 2]" 1
509 1 41 LYS HD3 1 42 ASN H . . 5.500 4.995 3.951 5.505 0.005 15 0 "[ . 1 . 2]" 1
510 1 41 LYS HG2 1 42 ASN H . . 5.500 4.383 2.029 5.565 0.065 15 0 "[ . 1 . 2]" 1
511 1 41 LYS HG3 1 42 ASN H . . 5.500 5.021 3.471 5.513 0.013 18 0 "[ . 1 . 2]" 1
512 1 42 ASN H 1 42 ASN HB2 . . 4.240 2.474 2.293 2.907 . 0 0 "[ . 1 . 2]" 1
513 1 42 ASN H 1 45 ALA MB . . 5.500 3.045 2.677 3.998 . 0 0 "[ . 1 . 2]" 1
514 1 42 ASN HA 1 42 ASN HD22 . . 5.380 4.321 3.423 4.938 . 0 0 "[ . 1 . 2]" 1
515 1 42 ASN HA 1 43 PRO HA . . 5.500 4.390 4.388 4.396 . 0 0 "[ . 1 . 2]" 1
516 1 42 ASN HA 1 43 PRO HD2 . . 3.020 2.405 2.309 2.453 . 0 0 "[ . 1 . 2]" 1
517 1 42 ASN HA 1 43 PRO HD3 . . 3.070 2.302 2.270 2.321 . 0 0 "[ . 1 . 2]" 1
518 1 42 ASN HA 1 43 PRO HG2 . . 4.670 4.517 4.439 4.557 . 0 0 "[ . 1 . 2]" 1
519 1 42 ASN HA 1 43 PRO HG3 . . 4.360 4.475 4.420 4.505 0.145 14 0 "[ . 1 . 2]" 1
520 1 42 ASN HB2 1 42 ASN HD22 . . 4.200 3.706 3.436 4.096 . 0 0 "[ . 1 . 2]" 1
521 1 42 ASN HB2 1 43 PRO HD2 . . 5.500 3.605 3.214 3.839 . 0 0 "[ . 1 . 2]" 1
522 1 42 ASN HB2 1 44 ALA MB . . 4.410 4.291 3.943 4.429 0.019 14 0 "[ . 1 . 2]" 1
523 1 42 ASN HB2 1 45 ALA H . . 4.680 2.976 2.355 3.722 . 0 0 "[ . 1 . 2]" 1
524 1 42 ASN HB2 1 45 ALA MB . . 3.900 2.295 1.893 3.256 . 0 0 "[ . 1 . 2]" 1
525 1 42 ASN HB3 1 45 ALA H . . 4.570 3.136 2.724 3.538 . 0 0 "[ . 1 . 2]" 1
526 1 42 ASN HB3 1 45 ALA MB . . 3.880 3.443 3.124 3.784 . 0 0 "[ . 1 . 2]" 1
527 1 43 PRO HA 1 43 PRO HD2 . . 4.360 4.098 4.098 4.100 . 0 0 "[ . 1 . 2]" 1
528 1 43 PRO HA 1 43 PRO HD3 . . 4.550 3.601 3.600 3.603 . 0 0 "[ . 1 . 2]" 1
529 1 43 PRO HA 1 43 PRO HG2 . . 4.100 3.852 3.852 3.853 . 0 0 "[ . 1 . 2]" 1
530 1 43 PRO HA 1 43 PRO HG3 . . 4.070 4.025 4.023 4.026 . 0 0 "[ . 1 . 2]" 1
531 1 43 PRO HA 1 44 ALA H . . 3.960 3.569 3.558 3.571 . 0 0 "[ . 1 . 2]" 1
532 1 43 PRO HA 1 45 ALA H . . 5.060 4.094 3.890 4.627 . 0 0 "[ . 1 . 2]" 1
533 1 43 PRO HA 1 46 ALA H . . 4.680 3.485 2.960 3.995 . 0 0 "[ . 1 . 2]" 1
534 1 43 PRO HA 1 46 ALA MB . . 3.750 2.730 2.177 3.098 . 0 0 "[ . 1 . 2]" 1
535 1 43 PRO HB2 1 43 PRO HD2 . . 4.340 4.044 4.043 4.045 . 0 0 "[ . 1 . 2]" 1
536 1 43 PRO HB2 1 43 PRO HD3 . . 4.240 3.917 3.916 3.918 . 0 0 "[ . 1 . 2]" 1
537 1 43 PRO HB2 1 44 ALA H . . 4.860 2.947 2.918 3.085 . 0 0 "[ . 1 . 2]" 1
538 1 43 PRO HB2 1 44 ALA MB . . 5.500 4.144 4.015 4.407 . 0 0 "[ . 1 . 2]" 1
539 1 43 PRO HB2 1 47 THR MG . . 5.500 4.262 3.777 4.630 . 0 0 "[ . 1 . 2]" 1
540 1 43 PRO HB3 1 43 PRO HD2 . . 3.840 3.873 3.872 3.874 0.034 10 0 "[ . 1 . 2]" 1
541 1 43 PRO HB3 1 43 PRO HD3 . . 4.110 2.979 2.978 2.980 . 0 0 "[ . 1 . 2]" 1
542 1 43 PRO HB3 1 43 PRO HG2 . . 2.990 2.994 2.993 2.995 0.005 4 0 "[ . 1 . 2]" 1
543 1 43 PRO HB3 1 44 ALA H . . 4.530 3.918 3.901 3.996 . 0 0 "[ . 1 . 2]" 1
544 1 43 PRO HB3 1 44 ALA HA . . 5.500 5.498 5.490 5.529 0.029 6 0 "[ . 1 . 2]" 1
545 1 43 PRO HB3 1 47 THR MG . . 5.500 5.430 5.032 5.526 0.026 20 0 "[ . 1 . 2]" 1
546 1 43 PRO HD2 1 44 ALA H . . 4.510 2.734 2.682 2.746 . 0 0 "[ . 1 . 2]" 1
547 1 43 PRO HD3 1 44 ALA H . . 4.070 3.866 3.845 3.870 . 0 0 "[ . 1 . 2]" 1
548 1 43 PRO HD3 1 44 ALA MB . . 5.480 5.252 5.183 5.300 . 0 0 "[ . 1 . 2]" 1
549 1 43 PRO HD3 1 45 ALA H . . 5.500 5.187 5.053 5.350 . 0 0 "[ . 1 . 2]" 1
550 1 43 PRO HG2 1 44 ALA H . . 4.200 1.961 1.934 2.089 . 0 0 "[ . 1 . 2]" 1
551 1 43 PRO HG3 1 44 ALA H . . 4.790 3.576 3.556 3.672 . 0 0 "[ . 1 . 2]" 1
552 1 44 ALA H 1 44 ALA MB . . 3.100 2.177 2.027 2.245 . 0 0 "[ . 1 . 2]" 1
553 1 44 ALA H 1 45 ALA H . . 3.290 2.641 2.459 2.784 . 0 0 "[ . 1 . 2]" 1
554 1 44 ALA H 1 45 ALA MB . . 5.500 4.353 4.183 4.542 . 0 0 "[ . 1 . 2]" 1
555 1 44 ALA HA 1 45 ALA H . . 4.210 3.467 3.398 3.541 . 0 0 "[ . 1 . 2]" 1
556 1 44 ALA HA 1 47 THR MG . . 5.500 2.135 1.894 3.703 . 0 0 "[ . 1 . 2]" 1
557 1 44 ALA MB 1 45 ALA H . . 3.480 2.867 2.618 3.039 . 0 0 "[ . 1 . 2]" 1
558 1 44 ALA MB 1 45 ALA HA . . 4.850 3.929 3.704 4.013 . 0 0 "[ . 1 . 2]" 1
559 1 44 ALA MB 1 46 ALA H . . 5.500 4.637 4.162 5.040 . 0 0 "[ . 1 . 2]" 1
560 1 45 ALA H 1 45 ALA MB . . 2.980 2.283 2.129 2.358 . 0 0 "[ . 1 . 2]" 1
561 1 45 ALA H 1 46 ALA H . . 3.440 2.357 2.110 2.609 . 0 0 "[ . 1 . 2]" 1
562 1 45 ALA H 1 46 ALA MB . . 4.640 4.004 3.854 4.224 . 0 0 "[ . 1 . 2]" 1
563 1 45 ALA H 1 52 ALA MB . . 4.950 4.633 4.282 5.040 0.090 14 0 "[ . 1 . 2]" 1
564 1 45 ALA HA 1 46 ALA H . . 4.300 3.467 3.116 3.572 . 0 0 "[ . 1 . 2]" 1
565 1 45 ALA HA 1 46 ALA MB . . 5.500 4.960 4.645 5.048 . 0 0 "[ . 1 . 2]" 1
566 1 45 ALA HA 1 47 THR H . . 5.500 4.047 3.458 4.521 . 0 0 "[ . 1 . 2]" 1
567 1 45 ALA HA 1 48 MET H . . 5.500 3.821 3.500 4.660 . 0 0 "[ . 1 . 2]" 1
568 1 45 ALA HA 1 48 MET HB3 . . 5.500 5.000 4.497 5.508 0.008 4 0 "[ . 1 . 2]" 1
569 1 45 ALA HA 1 52 ALA MB . . 4.090 2.373 1.986 2.682 . 0 0 "[ . 1 . 2]" 1
570 1 45 ALA MB 1 46 ALA H . . 3.860 2.731 2.240 3.479 . 0 0 "[ . 1 . 2]" 1
571 1 45 ALA MB 1 46 ALA HA . . 4.660 3.904 3.671 4.267 . 0 0 "[ . 1 . 2]" 1
572 1 45 ALA MB 1 46 ALA MB . . 3.730 3.677 3.583 3.763 0.033 15 0 "[ . 1 . 2]" 1
573 1 45 ALA MB 1 47 THR H . . 4.610 4.430 4.169 4.739 0.129 14 0 "[ . 1 . 2]" 1
574 1 45 ALA MB 1 48 MET H . . 5.500 4.753 4.378 5.621 0.121 14 0 "[ . 1 . 2]" 1
575 1 46 ALA H 1 46 ALA MB . . 3.010 2.264 2.043 2.632 . 0 0 "[ . 1 . 2]" 1
576 1 46 ALA H 1 47 THR H . . 3.900 2.556 1.925 2.809 . 0 0 "[ . 1 . 2]" 1
577 1 46 ALA H 1 47 THR MG . . 5.500 3.774 2.988 5.161 . 0 0 "[ . 1 . 2]" 1
578 1 46 ALA HA 1 47 THR H . . 4.370 3.357 3.052 3.539 . 0 0 "[ . 1 . 2]" 1
579 1 46 ALA HA 1 48 MET H . . 4.450 3.779 3.497 4.312 . 0 0 "[ . 1 . 2]" 1
580 1 46 ALA HA 1 49 ARG H . . 5.500 4.124 3.304 5.256 . 0 0 "[ . 1 . 2]" 1
581 1 46 ALA HA 1 52 ALA MB . . 5.500 5.326 4.399 5.514 0.014 3 0 "[ . 1 . 2]" 1
582 1 46 ALA MB 1 47 THR H . . 3.710 2.983 2.565 3.536 . 0 0 "[ . 1 . 2]" 1
583 1 46 ALA MB 1 47 THR HA . . 4.620 3.933 3.681 4.207 . 0 0 "[ . 1 . 2]" 1
584 1 46 ALA MB 1 47 THR HB . . 5.500 4.319 4.079 5.370 . 0 0 "[ . 1 . 2]" 1
585 1 47 THR H 1 47 THR HB . . 4.030 2.839 2.446 3.807 . 0 0 "[ . 1 . 2]" 1
586 1 47 THR H 1 47 THR MG . . 3.540 2.203 1.948 2.982 . 0 0 "[ . 1 . 2]" 1
587 1 47 THR H 1 48 MET H . . 3.550 2.402 1.882 2.766 . 0 0 "[ . 1 . 2]" 1
588 1 47 THR HA 1 47 THR MG . . 3.210 3.099 1.973 3.207 . 0 0 "[ . 1 . 2]" 1
589 1 47 THR HA 1 48 MET H . . 4.710 3.378 3.132 3.540 . 0 0 "[ . 1 . 2]" 1
590 1 47 THR HA 1 49 ARG H . . 5.500 3.594 3.386 4.443 . 0 0 "[ . 1 . 2]" 1
591 1 47 THR HB 1 48 MET H . . 4.280 4.178 3.166 4.427 0.147 20 0 "[ . 1 . 2]" 1
592 1 47 THR MG 1 48 MET H . . 4.610 2.622 1.925 4.170 . 0 0 "[ . 1 . 2]" 1
593 1 47 THR MG 1 48 MET HB2 . . 5.500 3.950 3.183 5.525 0.025 4 0 "[ . 1 . 2]" 1
594 1 47 THR MG 1 48 MET HG2 . . 5.500 3.074 1.957 5.115 . 0 0 "[ . 1 . 2]" 1
595 1 47 THR MG 1 48 MET HG3 . . 5.500 3.626 2.413 5.564 0.064 4 0 "[ . 1 . 2]" 1
596 1 48 MET H 1 48 MET HB2 . . 4.050 2.592 2.271 3.829 . 0 0 "[ . 1 . 2]" 1
597 1 48 MET H 1 48 MET HB3 . . 3.610 3.557 2.938 3.680 0.070 10 0 "[ . 1 . 2]" 1
598 1 48 MET H 1 48 MET HG2 . . 3.570 3.066 2.251 3.581 0.011 10 0 "[ . 1 . 2]" 1
599 1 48 MET H 1 48 MET HG3 . . 4.220 3.635 2.379 4.099 . 0 0 "[ . 1 . 2]" 1
600 1 48 MET H 1 49 ARG H . . 3.510 2.618 2.317 3.239 . 0 0 "[ . 1 . 2]" 1
601 1 48 MET H 1 49 ARG HG2 . . 5.500 5.384 4.994 5.524 0.024 10 0 "[ . 1 . 2]" 1
602 1 48 MET H 1 49 ARG HG3 . . 5.500 5.369 4.936 5.523 0.023 15 0 "[ . 1 . 2]" 1
603 1 48 MET H 1 52 ALA MB . . 4.630 4.258 3.037 4.721 0.091 14 0 "[ . 1 . 2]" 1
604 1 48 MET HA 1 48 MET HG2 . . 4.070 2.712 2.168 3.599 . 0 0 "[ . 1 . 2]" 1
605 1 48 MET HA 1 48 MET HG3 . . 3.990 3.675 3.309 4.209 0.219 20 0 "[ . 1 . 2]" 1
606 1 48 MET HA 1 49 ARG H . . 5.500 3.023 2.562 3.248 . 0 0 "[ . 1 . 2]" 1
607 1 48 MET HA 1 51 VAL MG2 . . 5.010 4.026 3.377 4.958 . 0 0 "[ . 1 . 2]" 1
608 1 48 MET HA 1 52 ALA MB . . 5.490 5.234 4.318 5.626 0.136 14 0 "[ . 1 . 2]" 1
609 1 48 MET HB2 1 51 VAL MG1 . . 4.690 4.584 4.119 4.710 0.020 19 0 "[ . 1 . 2]" 1
610 1 48 MET HB2 1 51 VAL MG2 . . 5.070 4.123 3.200 5.080 0.010 12 0 "[ . 1 . 2]" 1
611 1 48 MET HB2 1 52 ALA H . . 5.500 2.957 1.934 4.353 . 0 0 "[ . 1 . 2]" 1
612 1 48 MET HB2 1 52 ALA MB . . 4.230 2.784 1.908 4.105 . 0 0 "[ . 1 . 2]" 1
613 1 48 MET HB3 1 51 VAL MG2 . . 4.980 3.211 2.279 4.668 . 0 0 "[ . 1 . 2]" 1
614 1 48 MET HB3 1 52 ALA H . . 5.140 3.224 2.148 4.410 . 0 0 "[ . 1 . 2]" 1
615 1 48 MET HB3 1 52 ALA MB . . 3.660 3.538 2.778 3.753 0.093 14 0 "[ . 1 . 2]" 1
616 1 48 MET ME 1 49 ARG H . . 5.500 4.992 2.849 5.547 0.047 10 0 "[ . 1 . 2]" 1
617 1 48 MET ME 1 52 ALA MB . . 4.740 4.103 1.898 4.755 0.015 15 0 "[ . 1 . 2]" 1
618 1 48 MET HG2 1 52 ALA MB . . 5.500 4.189 3.101 5.495 . 0 0 "[ . 1 . 2]" 1
619 1 48 MET HG3 1 51 VAL MG1 . . 5.500 4.829 3.862 5.513 0.013 12 0 "[ . 1 . 2]" 1
620 1 49 ARG H 1 49 ARG HB3 . . 4.160 3.975 2.707 4.090 . 0 0 "[ . 1 . 2]" 1
621 1 49 ARG H 1 49 ARG HG2 . . 4.150 2.942 2.472 3.141 . 0 0 "[ . 1 . 2]" 1
622 1 49 ARG H 1 49 ARG HG3 . . 5.040 3.367 2.303 3.540 . 0 0 "[ . 1 . 2]" 1
623 1 49 ARG HA 1 49 ARG HG2 . . 4.080 2.595 2.286 3.928 . 0 0 "[ . 1 . 2]" 1
624 1 49 ARG HB2 1 50 ASN H . . 5.500 2.266 1.824 4.094 . 0 0 "[ . 1 . 2]" 1
625 1 49 ARG HB3 1 50 ASN H . . 5.500 3.188 1.984 4.536 . 0 0 "[ . 1 . 2]" 1
626 1 49 ARG HG2 1 50 ASN H . . 5.500 4.521 4.337 5.067 . 0 0 "[ . 1 . 2]" 1
627 1 50 ASN H 1 51 VAL H . . 4.090 2.072 1.729 3.792 . 0 0 "[ . 1 . 2]" 1
628 1 51 VAL H 1 51 VAL HB . . 3.760 2.558 2.462 2.694 . 0 0 "[ . 1 . 2]" 1
629 1 51 VAL H 1 51 VAL MG1 . . 4.490 3.770 3.757 3.779 . 0 0 "[ . 1 . 2]" 1
630 1 51 VAL H 1 51 VAL MG2 . . 3.300 2.150 1.913 2.409 . 0 0 "[ . 1 . 2]" 1
631 1 51 VAL H 1 52 ALA H . . 3.610 2.587 2.458 2.857 . 0 0 "[ . 1 . 2]" 1
632 1 51 VAL HA 1 51 VAL MG1 . . 3.570 2.309 2.205 2.418 . 0 0 "[ . 1 . 2]" 1
633 1 51 VAL HA 1 51 VAL MG2 . . 3.750 2.401 2.275 2.457 . 0 0 "[ . 1 . 2]" 1
634 1 51 VAL HA 1 52 ALA H . . 4.790 3.535 3.490 3.562 . 0 0 "[ . 1 . 2]" 1
635 1 51 VAL HB 1 52 ALA H . . 3.800 2.595 2.359 2.863 . 0 0 "[ . 1 . 2]" 1
636 1 51 VAL HB 1 55 ILE MD . . 5.500 4.626 3.793 5.064 . 0 0 "[ . 1 . 2]" 1
637 1 51 VAL MG1 1 52 ALA H . . 4.160 3.525 3.248 3.819 . 0 0 "[ . 1 . 2]" 1
638 1 51 VAL MG1 1 55 ILE H . . 5.500 4.431 3.723 4.866 . 0 0 "[ . 1 . 2]" 1
639 1 51 VAL MG1 1 55 ILE HG12 . . 5.500 5.068 4.191 5.520 0.020 8 0 "[ . 1 . 2]" 1
640 1 51 VAL MG1 1 96 THR MG . . 5.140 3.309 2.520 4.382 . 0 0 "[ . 1 . 2]" 1
641 1 51 VAL MG1 1 119 SER HB2 . . 5.500 4.501 1.991 5.519 0.019 10 0 "[ . 1 . 2]" 1
642 1 51 VAL MG2 1 52 ALA H . . 3.810 3.781 3.663 3.855 0.045 17 0 "[ . 1 . 2]" 1
643 1 52 ALA H 1 52 ALA MB . . 3.020 2.133 2.024 2.255 . 0 0 "[ . 1 . 2]" 1
644 1 52 ALA H 1 53 GLY H . . 3.770 2.596 2.444 2.818 . 0 0 "[ . 1 . 2]" 1
645 1 52 ALA HA 1 53 GLY H . . 4.220 3.508 3.433 3.575 . 0 0 "[ . 1 . 2]" 1
646 1 52 ALA HA 1 55 ILE HB . . 4.200 3.352 2.891 3.799 . 0 0 "[ . 1 . 2]" 1
647 1 52 ALA HA 1 55 ILE MD . . 3.610 3.148 2.516 3.642 0.032 20 0 "[ . 1 . 2]" 1
648 1 52 ALA HA 1 55 ILE MG . . 5.000 4.578 4.102 5.024 0.024 4 0 "[ . 1 . 2]" 1
649 1 52 ALA MB 1 53 GLY H . . 3.400 2.702 2.223 3.022 . 0 0 "[ . 1 . 2]" 1
650 1 52 ALA MB 1 53 GLY HA2 . . 5.500 3.763 3.640 3.860 . 0 0 "[ . 1 . 2]" 1
651 1 52 ALA MB 1 55 ILE MG . . 5.500 5.131 4.792 5.496 . 0 0 "[ . 1 . 2]" 1
652 1 52 ALA MB 1 56 ALA MB . . 4.520 3.913 3.470 4.526 0.006 8 0 "[ . 1 . 2]" 1
653 1 52 ALA MB 1 96 THR MG . . 5.500 5.285 4.733 5.536 0.036 15 0 "[ . 1 . 2]" 1
654 1 53 GLY H 1 56 ALA MB . . 5.170 4.233 3.989 4.703 . 0 0 "[ . 1 . 2]" 1
655 1 53 GLY HA2 1 56 ALA MB . . 4.590 2.139 1.941 2.429 . 0 0 "[ . 1 . 2]" 1
656 1 53 GLY HA3 1 56 ALA H . . 5.500 4.569 4.376 4.807 . 0 0 "[ . 1 . 2]" 1
657 1 53 GLY HA3 1 56 ALA MB . . 3.930 3.592 3.388 3.823 . 0 0 "[ . 1 . 2]" 1
658 1 55 ILE H 1 55 ILE HB . . 3.690 2.386 2.267 2.462 . 0 0 "[ . 1 . 2]" 1
659 1 55 ILE H 1 55 ILE MD . . 4.190 2.909 2.613 3.489 . 0 0 "[ . 1 . 2]" 1
660 1 55 ILE H 1 55 ILE HG12 . . 5.500 4.019 3.904 4.242 . 0 0 "[ . 1 . 2]" 1
661 1 55 ILE H 1 55 ILE HG13 . . 5.500 2.709 2.492 3.081 . 0 0 "[ . 1 . 2]" 1
662 1 55 ILE H 1 55 ILE MG . . 4.030 3.725 3.654 3.756 . 0 0 "[ . 1 . 2]" 1
663 1 55 ILE H 1 56 ALA H . . 3.730 2.518 2.448 2.598 . 0 0 "[ . 1 . 2]" 1
664 1 55 ILE H 1 81 ILE MD . . 5.500 5.267 4.040 5.589 0.089 19 0 "[ . 1 . 2]" 1
665 1 55 ILE HA 1 55 ILE MD . . 4.380 3.726 3.549 3.816 . 0 0 "[ . 1 . 2]" 1
666 1 55 ILE HA 1 55 ILE MG . . 3.400 2.450 2.387 2.570 . 0 0 "[ . 1 . 2]" 1
667 1 55 ILE HA 1 56 ALA H . . 4.890 3.495 3.489 3.501 . 0 0 "[ . 1 . 2]" 1
668 1 55 ILE HA 1 56 ALA MB . . 5.500 4.938 4.917 4.974 . 0 0 "[ . 1 . 2]" 1
669 1 55 ILE HA 1 58 ALA H . . 5.500 3.413 3.227 3.552 . 0 0 "[ . 1 . 2]" 1
670 1 55 ILE HA 1 59 LEU HG . . 5.500 5.058 4.669 5.510 0.010 20 0 "[ . 1 . 2]" 1
671 1 55 ILE HA 1 81 ILE MD . . 3.640 3.423 2.584 3.680 0.040 16 0 "[ . 1 . 2]" 1
672 1 55 ILE HB 1 55 ILE MD . . 3.540 2.058 1.990 2.175 . 0 0 "[ . 1 . 2]" 1
673 1 55 ILE HB 1 56 ALA H . . 3.690 2.895 2.846 2.963 . 0 0 "[ . 1 . 2]" 1
674 1 55 ILE HB 1 96 THR MG . . 5.500 4.410 3.472 5.121 . 0 0 "[ . 1 . 2]" 1
675 1 55 ILE MD 1 55 ILE MG . . 3.100 2.672 2.365 2.902 . 0 0 "[ . 1 . 2]" 1
676 1 55 ILE MD 1 56 ALA H . . 4.650 4.351 4.103 4.689 0.039 18 0 "[ . 1 . 2]" 1
677 1 55 ILE MD 1 84 TRP HH2 . . 5.150 3.674 1.937 4.286 . 0 0 "[ . 1 . 2]" 1
678 1 55 ILE MD 1 84 TRP HZ3 . . 3.810 3.716 2.580 3.875 0.065 19 0 "[ . 1 . 2]" 1
679 1 55 ILE MD 1 96 THR HA . . 4.460 3.615 2.850 4.378 . 0 0 "[ . 1 . 2]" 1
680 1 55 ILE MD 1 96 THR HB . . 5.500 4.693 4.293 5.273 . 0 0 "[ . 1 . 2]" 1
681 1 55 ILE MD 1 96 THR MG . . 3.200 2.203 1.851 2.634 . 0 0 "[ . 1 . 2]" 1
682 1 55 ILE MD 1 99 TYR HB2 . . 4.750 4.016 3.717 4.507 . 0 0 "[ . 1 . 2]" 1
683 1 55 ILE HG12 1 56 ALA H . . 5.500 5.323 5.259 5.377 . 0 0 "[ . 1 . 2]" 1
684 1 55 ILE HG12 1 59 LEU MD2 . . 5.500 5.077 4.563 5.537 0.037 18 0 "[ . 1 . 2]" 1
685 1 55 ILE HG12 1 81 ILE HA . . 5.320 4.814 4.114 5.322 0.002 4 0 "[ . 1 . 2]" 1
686 1 55 ILE HG12 1 81 ILE MD . . 4.270 3.376 2.727 4.200 . 0 0 "[ . 1 . 2]" 1
687 1 55 ILE HG12 1 96 THR MG . . 5.500 3.889 3.172 4.429 . 0 0 "[ . 1 . 2]" 1
688 1 55 ILE HG13 1 56 ALA H . . 5.500 4.599 4.496 4.758 . 0 0 "[ . 1 . 2]" 1
689 1 55 ILE HG13 1 81 ILE HA . . 5.500 5.390 4.655 5.580 0.080 20 0 "[ . 1 . 2]" 1
690 1 55 ILE HG13 1 81 ILE MD . . 4.380 3.421 2.626 3.992 . 0 0 "[ . 1 . 2]" 1
691 1 55 ILE HG13 1 124 ASN HB3 . . 5.500 5.585 5.542 5.662 0.162 17 0 "[ . 1 . 2]" 1
692 1 55 ILE MG 1 56 ALA H . . 3.970 3.433 3.197 3.568 . 0 0 "[ . 1 . 2]" 1
693 1 55 ILE MG 1 56 ALA HA . . 4.660 3.394 3.135 3.560 . 0 0 "[ . 1 . 2]" 1
694 1 55 ILE MG 1 56 ALA MB . . 5.500 4.241 4.003 4.403 . 0 0 "[ . 1 . 2]" 1
695 1 55 ILE MG 1 59 LEU MD1 . . 4.200 3.182 2.726 3.697 . 0 0 "[ . 1 . 2]" 1
696 1 55 ILE MG 1 59 LEU HG . . 3.900 3.112 2.678 3.459 . 0 0 "[ . 1 . 2]" 1
697 1 55 ILE MG 1 81 ILE MD . . 4.180 3.747 3.226 4.196 0.016 14 0 "[ . 1 . 2]" 1
698 1 55 ILE MG 1 84 TRP HZ3 . . 5.500 4.017 3.118 4.680 . 0 0 "[ . 1 . 2]" 1
699 1 55 ILE MG 1 96 THR HA . . 5.500 4.468 3.876 5.017 . 0 0 "[ . 1 . 2]" 1
700 1 55 ILE MG 1 99 TYR H . . 4.790 4.647 4.329 4.864 0.074 10 0 "[ . 1 . 2]" 1
701 1 55 ILE MG 1 99 TYR HA . . 4.180 3.789 3.617 4.049 . 0 0 "[ . 1 . 2]" 1
702 1 55 ILE MG 1 99 TYR HB2 . . 3.930 2.715 2.294 3.328 . 0 0 "[ . 1 . 2]" 1
703 1 55 ILE MG 1 99 TYR HB3 . . 3.620 3.141 2.079 3.692 0.072 3 0 "[ . 1 . 2]" 1
704 1 55 ILE MG 1 102 LEU MD1 . . 4.420 4.482 4.187 4.598 0.178 20 0 "[ . 1 . 2]" 1
705 1 56 ALA H 1 56 ALA MB . . 3.160 2.093 2.030 2.238 . 0 0 "[ . 1 . 2]" 1
706 1 56 ALA H 1 57 ALA H . . 4.130 2.860 2.746 2.966 . 0 0 "[ . 1 . 2]" 1
707 1 56 ALA HA 1 57 ALA H . . 4.020 3.527 3.496 3.563 . 0 0 "[ . 1 . 2]" 1
708 1 56 ALA HA 1 57 ALA HA . . 5.500 4.854 4.795 4.886 . 0 0 "[ . 1 . 2]" 1
709 1 56 ALA HA 1 59 LEU H . . 4.180 3.486 3.366 3.603 . 0 0 "[ . 1 . 2]" 1
710 1 56 ALA HA 1 59 LEU HB2 . . 4.150 3.369 3.024 3.750 . 0 0 "[ . 1 . 2]" 1
711 1 56 ALA HA 1 59 LEU MD1 . . 4.550 2.325 2.086 2.625 . 0 0 "[ . 1 . 2]" 1
712 1 56 ALA HA 1 59 LEU HG . . 4.470 1.953 1.919 1.994 . 0 0 "[ . 1 . 2]" 1
713 1 56 ALA HA 1 60 TYR QD . . 5.500 4.367 3.946 5.129 . 0 0 "[ . 1 . 2]" 1
714 1 56 ALA HA 1 60 TYR QE . . 5.500 3.830 3.321 4.518 . 0 0 "[ . 1 . 2]" 1
715 1 56 ALA MB 1 57 ALA H . . 3.480 2.686 2.422 2.857 . 0 0 "[ . 1 . 2]" 1
716 1 56 ALA MB 1 57 ALA HA . . 4.610 3.736 3.649 3.859 . 0 0 "[ . 1 . 2]" 1
717 1 56 ALA MB 1 57 ALA MB . . 4.260 3.885 3.756 4.013 . 0 0 "[ . 1 . 2]" 1
718 1 56 ALA MB 1 58 ALA H . . 5.500 4.736 4.584 4.932 . 0 0 "[ . 1 . 2]" 1
719 1 56 ALA MB 1 59 LEU H . . 5.500 4.508 4.425 4.636 . 0 0 "[ . 1 . 2]" 1
720 1 56 ALA MB 1 59 LEU MD1 . . 5.500 3.202 2.881 3.449 . 0 0 "[ . 1 . 2]" 1
721 1 56 ALA MB 1 59 LEU MD2 . . 5.500 4.633 4.494 4.747 . 0 0 "[ . 1 . 2]" 1
722 1 56 ALA MB 1 60 TYR QD . . 3.810 3.448 3.072 3.831 0.021 15 0 "[ . 1 . 2]" 1
723 1 56 ALA MB 1 60 TYR QE . . 3.630 2.364 1.903 3.364 . 0 0 "[ . 1 . 2]" 1
724 1 57 ALA H 1 57 ALA MB . . 3.100 2.215 2.130 2.239 . 0 0 "[ . 1 . 2]" 1
725 1 57 ALA H 1 58 ALA H . . 3.740 2.870 2.684 2.969 . 0 0 "[ . 1 . 2]" 1
726 1 57 ALA H 1 58 ALA MB . . 5.500 4.379 4.203 4.484 . 0 0 "[ . 1 . 2]" 1
727 1 57 ALA HA 1 58 ALA H . . 5.250 3.563 3.555 3.571 . 0 0 "[ . 1 . 2]" 1
728 1 57 ALA HA 1 60 TYR QD . . 5.500 2.859 2.281 3.967 . 0 0 "[ . 1 . 2]" 1
729 1 57 ALA HA 1 61 ALA H . . 5.500 4.025 3.916 4.163 . 0 0 "[ . 1 . 2]" 1
730 1 57 ALA MB 1 58 ALA H . . 3.410 2.368 2.238 2.479 . 0 0 "[ . 1 . 2]" 1
731 1 57 ALA MB 1 58 ALA HA . . 5.500 3.762 3.703 3.790 . 0 0 "[ . 1 . 2]" 1
732 1 57 ALA MB 1 58 ALA MB . . 4.200 3.714 3.605 3.795 . 0 0 "[ . 1 . 2]" 1
733 1 57 ALA MB 1 59 LEU H . . 5.500 4.324 4.207 4.455 . 0 0 "[ . 1 . 2]" 1
734 1 57 ALA MB 1 61 ALA H . . 5.130 4.508 4.377 4.630 . 0 0 "[ . 1 . 2]" 1
735 1 57 ALA MB 1 61 ALA MB . . 5.500 3.513 3.341 3.731 . 0 0 "[ . 1 . 2]" 1
736 1 58 ALA H 1 58 ALA MB . . 3.170 2.082 2.035 2.223 . 0 0 "[ . 1 . 2]" 1
737 1 58 ALA H 1 59 LEU H . . 3.570 2.781 2.756 2.826 . 0 0 "[ . 1 . 2]" 1
738 1 58 ALA H 1 59 LEU HG . . 5.500 4.200 4.091 4.345 . 0 0 "[ . 1 . 2]" 1
739 1 58 ALA HA 1 59 LEU H . . 4.380 3.511 3.483 3.545 . 0 0 "[ . 1 . 2]" 1
740 1 58 ALA HA 1 61 ALA H . . 4.600 3.626 3.440 3.744 . 0 0 "[ . 1 . 2]" 1
741 1 58 ALA HA 1 61 ALA MB . . 3.500 2.207 1.944 2.365 . 0 0 "[ . 1 . 2]" 1
742 1 58 ALA HA 1 62 VAL H . . 5.500 4.156 3.797 4.441 . 0 0 "[ . 1 . 2]" 1
743 1 58 ALA HA 1 62 VAL MG2 . . 5.500 3.716 3.401 3.939 . 0 0 "[ . 1 . 2]" 1
744 1 58 ALA HA 1 72 ILE MD . . 4.050 4.119 4.088 4.155 0.105 1 0 "[ . 1 . 2]" 1
745 1 58 ALA MB 1 59 LEU H . . 3.580 2.785 2.591 2.901 . 0 0 "[ . 1 . 2]" 1
746 1 58 ALA MB 1 59 LEU HA . . 5.500 3.775 3.704 3.832 . 0 0 "[ . 1 . 2]" 1
747 1 58 ALA MB 1 60 TYR H . . 5.500 5.080 4.987 5.158 . 0 0 "[ . 1 . 2]" 1
748 1 58 ALA MB 1 61 ALA H . . 4.620 4.636 4.460 4.706 0.086 12 0 "[ . 1 . 2]" 1
749 1 58 ALA MB 1 61 ALA MB . . 5.500 3.569 3.355 3.723 . 0 0 "[ . 1 . 2]" 1
750 1 58 ALA MB 1 72 ILE MD . . 5.500 3.997 3.879 4.146 . 0 0 "[ . 1 . 2]" 1
751 1 58 ALA MB 1 81 ILE MD . . 4.000 3.202 2.572 3.724 . 0 0 "[ . 1 . 2]" 1
752 1 58 ALA MB 1 106 TYR QE . . 5.500 4.910 4.370 5.249 . 0 0 "[ . 1 . 2]" 1
753 1 59 LEU H 1 59 LEU HB2 . . 3.800 2.709 2.636 2.757 . 0 0 "[ . 1 . 2]" 1
754 1 59 LEU H 1 59 LEU HB3 . . 3.900 3.575 3.564 3.586 . 0 0 "[ . 1 . 2]" 1
755 1 59 LEU H 1 59 LEU MD1 . . 4.870 3.742 3.692 3.792 . 0 0 "[ . 1 . 2]" 1
756 1 59 LEU H 1 59 LEU MD2 . . 5.240 2.364 2.223 2.478 . 0 0 "[ . 1 . 2]" 1
757 1 59 LEU H 1 59 LEU HG . . 3.820 2.151 2.065 2.228 . 0 0 "[ . 1 . 2]" 1
758 1 59 LEU H 1 60 TYR H . . 3.910 2.975 2.843 3.097 . 0 0 "[ . 1 . 2]" 1
759 1 59 LEU H 1 62 VAL MG2 . . 5.500 4.845 4.668 5.013 . 0 0 "[ . 1 . 2]" 1
760 1 59 LEU HA 1 59 LEU MD1 . . 3.620 3.739 3.684 3.790 0.170 14 0 "[ . 1 . 2]" 1
761 1 59 LEU HA 1 59 LEU MD2 . . 3.520 2.040 1.977 2.142 . 0 0 "[ . 1 . 2]" 1
762 1 59 LEU HA 1 59 LEU HG . . 3.720 3.534 3.437 3.568 . 0 0 "[ . 1 . 2]" 1
763 1 59 LEU HA 1 60 TYR H . . 4.640 3.568 3.566 3.571 . 0 0 "[ . 1 . 2]" 1
764 1 59 LEU HA 1 61 ALA H . . 5.500 4.221 4.041 4.501 . 0 0 "[ . 1 . 2]" 1
765 1 59 LEU HA 1 62 VAL H . . 4.490 3.761 3.519 3.967 . 0 0 "[ . 1 . 2]" 1
766 1 59 LEU HA 1 62 VAL HB . . 5.370 3.624 3.233 3.934 . 0 0 "[ . 1 . 2]" 1
767 1 59 LEU HA 1 62 VAL MG2 . . 4.050 3.658 3.439 3.966 . 0 0 "[ . 1 . 2]" 1
768 1 59 LEU HA 1 63 LYS HG2 . . 5.500 5.526 5.388 5.578 0.078 16 0 "[ . 1 . 2]" 1
769 1 59 LEU HA 1 63 LYS HG3 . . 5.500 4.091 3.814 4.230 . 0 0 "[ . 1 . 2]" 1
770 1 59 LEU HA 1 102 LEU MD1 . . 5.500 4.374 4.040 4.676 . 0 0 "[ . 1 . 2]" 1
771 1 59 LEU HB2 1 59 LEU MD2 . . 3.550 3.163 3.155 3.176 . 0 0 "[ . 1 . 2]" 1
772 1 59 LEU HB2 1 60 TYR H . . 3.940 1.968 1.941 2.105 . 0 0 "[ . 1 . 2]" 1
773 1 59 LEU HB2 1 60 TYR QE . . 5.500 3.758 3.517 3.938 . 0 0 "[ . 1 . 2]" 1
774 1 59 LEU HB2 1 106 TYR QE . . 5.500 4.811 4.411 5.131 . 0 0 "[ . 1 . 2]" 1
775 1 59 LEU HB3 1 59 LEU MD2 . . 3.430 2.514 2.464 2.574 . 0 0 "[ . 1 . 2]" 1
776 1 59 LEU HB3 1 60 TYR H . . 3.980 3.296 3.182 3.488 . 0 0 "[ . 1 . 2]" 1
777 1 59 LEU HB3 1 106 TYR QE . . 5.500 3.329 2.854 3.698 . 0 0 "[ . 1 . 2]" 1
778 1 59 LEU MD1 1 60 TYR H . . 5.370 4.173 4.097 4.244 . 0 0 "[ . 1 . 2]" 1
779 1 59 LEU MD1 1 99 TYR HA . . 4.040 3.520 2.654 3.984 . 0 0 "[ . 1 . 2]" 1
780 1 59 LEU MD1 1 102 LEU H . . 5.500 5.296 4.824 5.523 0.023 18 0 "[ . 1 . 2]" 1
781 1 59 LEU MD1 1 102 LEU HB2 . . 4.070 3.635 3.218 3.904 . 0 0 "[ . 1 . 2]" 1
782 1 59 LEU MD1 1 102 LEU HB3 . . 3.650 3.722 3.613 3.796 0.146 3 0 "[ . 1 . 2]" 1
783 1 59 LEU MD1 1 102 LEU HG . . 4.720 4.096 3.886 4.268 . 0 0 "[ . 1 . 2]" 1
784 1 59 LEU MD1 1 106 TYR QE . . 4.220 4.015 3.402 4.258 0.038 11 0 "[ . 1 . 2]" 1
785 1 59 LEU MD2 1 60 TYR H . . 4.590 4.265 4.235 4.333 . 0 0 "[ . 1 . 2]" 1
786 1 59 LEU MD2 1 60 TYR QE . . 5.500 5.613 5.576 5.664 0.164 18 0 "[ . 1 . 2]" 1
787 1 59 LEU MD2 1 63 LYS HD2 . . 5.500 5.290 4.511 5.516 0.016 16 0 "[ . 1 . 2]" 1
788 1 59 LEU MD2 1 99 TYR HA . . 4.260 3.040 2.696 3.385 . 0 0 "[ . 1 . 2]" 1
789 1 59 LEU MD2 1 102 LEU H . . 5.500 4.980 4.560 5.296 . 0 0 "[ . 1 . 2]" 1
790 1 59 LEU MD2 1 102 LEU HB2 . . 3.830 3.226 2.704 3.646 . 0 0 "[ . 1 . 2]" 1
791 1 59 LEU MD2 1 102 LEU HB3 . . 3.680 3.298 2.469 3.763 0.083 6 0 "[ . 1 . 2]" 1
792 1 59 LEU MD2 1 103 MET H . . 5.500 4.944 4.611 5.223 . 0 0 "[ . 1 . 2]" 1
793 1 59 LEU MD2 1 106 TYR QE . . 3.830 3.165 2.181 3.618 . 0 0 "[ . 1 . 2]" 1
794 1 59 LEU HG 1 60 TYR H . . 4.150 3.767 3.631 3.955 . 0 0 "[ . 1 . 2]" 1
795 1 59 LEU HG 1 102 LEU MD1 . . 4.210 4.036 3.717 4.271 0.061 17 0 "[ . 1 . 2]" 1
796 1 60 TYR H 1 60 TYR QD . . 4.370 2.287 1.905 2.777 . 0 0 "[ . 1 . 2]" 1
797 1 60 TYR H 1 60 TYR QE . . 5.500 3.961 3.899 4.080 . 0 0 "[ . 1 . 2]" 1
798 1 60 TYR H 1 61 ALA H . . 3.990 2.662 2.574 2.736 . 0 0 "[ . 1 . 2]" 1
799 1 60 TYR H 1 61 ALA MB . . 5.500 4.321 4.216 4.412 . 0 0 "[ . 1 . 2]" 1
800 1 60 TYR HA 1 60 TYR QD . . 3.850 2.852 2.201 3.112 . 0 0 "[ . 1 . 2]" 1
801 1 60 TYR HA 1 60 TYR QE . . 5.240 4.710 4.535 4.750 . 0 0 "[ . 1 . 2]" 1
802 1 60 TYR HA 1 61 ALA H . . 4.260 3.473 3.432 3.514 . 0 0 "[ . 1 . 2]" 1
803 1 60 TYR HA 1 63 LYS H . . 4.160 3.359 3.246 3.483 . 0 0 "[ . 1 . 2]" 1
804 1 60 TYR HA 1 63 LYS HB2 . . 4.030 2.535 2.328 2.638 . 0 0 "[ . 1 . 2]" 1
805 1 60 TYR HA 1 63 LYS HB3 . . 4.020 4.073 3.950 4.130 0.110 9 0 "[ . 1 . 2]" 1
806 1 60 TYR HA 1 63 LYS HD2 . . 4.680 2.665 2.073 3.102 . 0 0 "[ . 1 . 2]" 1
807 1 60 TYR HA 1 63 LYS HD3 . . 4.760 2.727 2.007 3.423 . 0 0 "[ . 1 . 2]" 1
808 1 60 TYR HA 1 64 LYS H . . 5.500 3.905 3.647 4.107 . 0 0 "[ . 1 . 2]" 1
809 1 60 TYR HB2 1 61 ALA H . . 5.500 2.920 2.721 3.097 . 0 0 "[ . 1 . 2]" 1
810 1 60 TYR HB3 1 61 ALA H . . 5.500 3.995 3.765 4.126 . 0 0 "[ . 1 . 2]" 1
811 1 60 TYR QD 1 63 LYS HB3 . . 5.500 5.385 5.178 5.519 0.019 10 0 "[ . 1 . 2]" 1
812 1 60 TYR QD 1 63 LYS HD2 . . 4.770 3.628 2.222 4.598 . 0 0 "[ . 1 . 2]" 1
813 1 60 TYR QD 1 63 LYS HD3 . . 4.670 3.414 2.837 4.067 . 0 0 "[ . 1 . 2]" 1
814 1 60 TYR QE 1 63 LYS HD2 . . 5.500 4.663 3.850 5.253 . 0 0 "[ . 1 . 2]" 1
815 1 60 TYR QE 1 63 LYS HD3 . . 5.500 4.813 4.592 5.260 . 0 0 "[ . 1 . 2]" 1
816 1 61 ALA H 1 61 ALA MB . . 3.340 2.217 2.029 2.241 . 0 0 "[ . 1 . 2]" 1
817 1 61 ALA H 1 62 VAL H . . 3.740 2.681 2.597 2.776 . 0 0 "[ . 1 . 2]" 1
818 1 61 ALA H 1 62 VAL MG2 . . 5.500 4.225 4.094 4.382 . 0 0 "[ . 1 . 2]" 1
819 1 61 ALA HA 1 62 VAL H . . 4.450 3.536 3.526 3.556 . 0 0 "[ . 1 . 2]" 1
820 1 61 ALA HA 1 64 LYS H . . 5.500 4.015 3.856 4.081 . 0 0 "[ . 1 . 2]" 1
821 1 61 ALA HA 1 65 ALA H . . 5.500 4.258 4.087 4.553 . 0 0 "[ . 1 . 2]" 1
822 1 61 ALA MB 1 62 VAL H . . 3.510 2.567 2.426 2.740 . 0 0 "[ . 1 . 2]" 1
823 1 61 ALA MB 1 62 VAL HA . . 4.610 3.853 3.758 3.875 . 0 0 "[ . 1 . 2]" 1
824 1 61 ALA MB 1 62 VAL HB . . 5.500 4.529 4.418 4.633 . 0 0 "[ . 1 . 2]" 1
825 1 61 ALA MB 1 62 VAL MG1 . . 5.500 4.916 4.868 4.967 . 0 0 "[ . 1 . 2]" 1
826 1 61 ALA MB 1 62 VAL MG2 . . 3.160 2.913 2.848 3.094 . 0 0 "[ . 1 . 2]" 1
827 1 61 ALA MB 1 64 LYS H . . 5.500 4.989 4.907 5.041 . 0 0 "[ . 1 . 2]" 1
828 1 61 ALA MB 1 64 LYS HB2 . . 5.500 5.071 4.808 5.376 . 0 0 "[ . 1 . 2]" 1
829 1 61 ALA MB 1 65 ALA H . . 5.200 4.796 4.678 4.973 . 0 0 "[ . 1 . 2]" 1
830 1 61 ALA MB 1 65 ALA MB . . 5.500 3.997 3.823 4.273 . 0 0 "[ . 1 . 2]" 1
831 1 61 ALA MB 1 72 ILE MD . . 3.420 3.120 3.027 3.298 . 0 0 "[ . 1 . 2]" 1
832 1 61 ALA MB 1 72 ILE MG . . 5.500 3.105 2.949 3.252 . 0 0 "[ . 1 . 2]" 1
833 1 62 VAL H 1 62 VAL HB . . 3.570 2.476 2.392 2.523 . 0 0 "[ . 1 . 2]" 1
834 1 62 VAL H 1 62 VAL MG1 . . 3.910 3.763 3.737 3.773 . 0 0 "[ . 1 . 2]" 1
835 1 62 VAL H 1 62 VAL MG2 . . 3.620 2.246 2.134 2.400 . 0 0 "[ . 1 . 2]" 1
836 1 62 VAL H 1 63 LYS H . . 3.240 2.526 2.471 2.584 . 0 0 "[ . 1 . 2]" 1
837 1 62 VAL H 1 65 ALA H . . 5.500 4.493 4.422 4.623 . 0 0 "[ . 1 . 2]" 1
838 1 62 VAL H 1 72 ILE MD . . 4.260 4.143 3.945 4.246 . 0 0 "[ . 1 . 2]" 1
839 1 62 VAL HA 1 62 VAL MG1 . . 3.470 2.410 2.378 2.434 . 0 0 "[ . 1 . 2]" 1
840 1 62 VAL HA 1 62 VAL MG2 . . 3.080 2.413 2.354 2.441 . 0 0 "[ . 1 . 2]" 1
841 1 62 VAL HA 1 63 LYS H . . 4.610 3.546 3.519 3.556 . 0 0 "[ . 1 . 2]" 1
842 1 62 VAL HA 1 65 ALA H . . 4.400 3.224 3.167 3.274 . 0 0 "[ . 1 . 2]" 1
843 1 62 VAL HA 1 65 ALA HA . . 5.500 4.749 4.704 4.844 . 0 0 "[ . 1 . 2]" 1
844 1 62 VAL HA 1 65 ALA MB . . 3.450 2.080 1.941 2.266 . 0 0 "[ . 1 . 2]" 1
845 1 62 VAL HA 1 66 SER H . . 4.850 4.494 4.162 4.761 . 0 0 "[ . 1 . 2]" 1
846 1 62 VAL HA 1 72 ILE MD . . 3.330 3.175 2.904 3.337 0.007 16 0 "[ . 1 . 2]" 1
847 1 62 VAL HA 1 72 ILE MG . . 5.500 3.661 3.284 4.031 . 0 0 "[ . 1 . 2]" 1
848 1 62 VAL HA 1 109 ILE MD . . 4.670 4.131 3.855 4.662 . 0 0 "[ . 1 . 2]" 1
849 1 62 VAL HB 1 63 LYS H . . 3.950 2.550 2.466 2.727 . 0 0 "[ . 1 . 2]" 1
850 1 62 VAL HB 1 72 ILE MD . . 5.500 4.580 4.387 4.737 . 0 0 "[ . 1 . 2]" 1
851 1 62 VAL HB 1 106 TYR QD . . 5.140 3.261 3.070 3.444 . 0 0 "[ . 1 . 2]" 1
852 1 62 VAL HB 1 109 ILE MD . . 5.500 4.376 4.180 4.629 . 0 0 "[ . 1 . 2]" 1
853 1 62 VAL MG1 1 62 VAL MG2 . . 2.680 2.087 2.074 2.096 . 0 0 "[ . 1 . 2]" 1
854 1 62 VAL MG1 1 63 LYS H . . 4.240 3.338 3.168 3.475 . 0 0 "[ . 1 . 2]" 1
855 1 62 VAL MG1 1 63 LYS HA . . 4.550 3.359 3.210 3.470 . 0 0 "[ . 1 . 2]" 1
856 1 62 VAL MG1 1 64 LYS H . . 5.500 4.980 4.858 5.057 . 0 0 "[ . 1 . 2]" 1
857 1 62 VAL MG1 1 65 ALA H . . 5.500 4.399 4.262 4.481 . 0 0 "[ . 1 . 2]" 1
858 1 62 VAL MG1 1 65 ALA MB . . 4.190 3.052 2.872 3.162 . 0 0 "[ . 1 . 2]" 1
859 1 62 VAL MG1 1 66 SER H . . 5.240 4.273 3.993 4.455 . 0 0 "[ . 1 . 2]" 1
860 1 62 VAL MG1 1 66 SER HB2 . . 5.500 4.388 4.043 4.727 . 0 0 "[ . 1 . 2]" 1
861 1 62 VAL MG1 1 106 TYR H . . 4.440 4.452 4.179 4.528 0.088 5 0 "[ . 1 . 2]" 1
862 1 62 VAL MG1 1 106 TYR HA . . 5.500 4.313 4.007 4.511 . 0 0 "[ . 1 . 2]" 1
863 1 62 VAL MG1 1 106 TYR HB2 . . 3.600 2.320 1.988 2.476 . 0 0 "[ . 1 . 2]" 1
864 1 62 VAL MG1 1 106 TYR HB3 . . 3.850 3.753 3.512 3.891 0.041 6 0 "[ . 1 . 2]" 1
865 1 62 VAL MG1 1 106 TYR QD . . 3.330 1.934 1.881 1.985 . 0 0 "[ . 1 . 2]" 1
866 1 62 VAL MG1 1 106 TYR QE . . 4.120 3.203 2.969 3.423 . 0 0 "[ . 1 . 2]" 1
867 1 62 VAL MG1 1 109 ILE HB . . 5.500 4.004 3.472 4.156 . 0 0 "[ . 1 . 2]" 1
868 1 62 VAL MG1 1 109 ILE MD . . 3.630 2.016 1.885 2.359 . 0 0 "[ . 1 . 2]" 1
869 1 62 VAL MG1 1 109 ILE HG13 . . 4.520 2.189 1.920 2.314 . 0 0 "[ . 1 . 2]" 1
870 1 62 VAL MG1 1 110 TYR H . . 5.500 3.321 3.029 3.792 . 0 0 "[ . 1 . 2]" 1
871 1 62 VAL MG1 1 110 TYR QD . . 4.230 1.984 1.885 2.170 . 0 0 "[ . 1 . 2]" 1
872 1 62 VAL MG1 1 110 TYR QE . . 4.780 2.152 1.968 2.415 . 0 0 "[ . 1 . 2]" 1
873 1 62 VAL MG2 1 63 LYS H . . 4.350 3.830 3.781 3.905 . 0 0 "[ . 1 . 2]" 1
874 1 62 VAL MG2 1 64 LYS H . . 5.500 5.506 5.418 5.540 0.040 20 0 "[ . 1 . 2]" 1
875 1 62 VAL MG2 1 65 ALA MB . . 4.210 3.641 3.558 3.733 . 0 0 "[ . 1 . 2]" 1
876 1 62 VAL MG2 1 72 ILE MD . . 2.790 2.190 1.998 2.321 . 0 0 "[ . 1 . 2]" 1
877 1 62 VAL MG2 1 72 ILE HG12 . . 5.500 3.776 3.548 3.985 . 0 0 "[ . 1 . 2]" 1
878 1 62 VAL MG2 1 106 TYR QE . . 4.250 2.913 2.695 3.103 . 0 0 "[ . 1 . 2]" 1
879 1 62 VAL MG2 1 109 ILE MD . . 4.480 4.141 3.869 4.560 0.080 14 0 "[ . 1 . 2]" 1
880 1 62 VAL MG2 1 109 ILE HG12 . . 4.290 3.820 3.583 4.057 . 0 0 "[ . 1 . 2]" 1
881 1 62 VAL MG2 1 109 ILE HG13 . . 4.900 3.954 3.483 4.143 . 0 0 "[ . 1 . 2]" 1
882 1 62 VAL MG2 1 110 TYR H . . 5.500 4.228 4.076 4.376 . 0 0 "[ . 1 . 2]" 1
883 1 62 VAL MG2 1 110 TYR HA . . 5.500 4.930 4.729 5.167 . 0 0 "[ . 1 . 2]" 1
884 1 62 VAL MG2 1 110 TYR HB2 . . 4.370 3.505 3.289 3.719 . 0 0 "[ . 1 . 2]" 1
885 1 62 VAL MG2 1 110 TYR HB3 . . 3.990 2.664 2.432 2.897 . 0 0 "[ . 1 . 2]" 1
886 1 62 VAL MG2 1 110 TYR QD . . 3.910 2.592 2.360 2.849 . 0 0 "[ . 1 . 2]" 1
887 1 63 LYS H 1 63 LYS HB2 . . 3.780 2.572 2.449 2.646 . 0 0 "[ . 1 . 2]" 1
888 1 63 LYS H 1 63 LYS HB3 . . 3.580 3.590 3.586 3.592 0.012 6 0 "[ . 1 . 2]" 1
889 1 63 LYS H 1 63 LYS HD2 . . 5.500 3.959 3.438 4.154 . 0 0 "[ . 1 . 2]" 1
890 1 63 LYS H 1 63 LYS HD3 . . 5.500 4.173 3.755 4.468 . 0 0 "[ . 1 . 2]" 1
891 1 63 LYS H 1 63 LYS HG2 . . 3.530 3.328 3.139 3.542 0.012 2 0 "[ . 1 . 2]" 1
892 1 63 LYS H 1 63 LYS HG3 . . 4.290 2.057 1.928 2.286 . 0 0 "[ . 1 . 2]" 1
893 1 63 LYS H 1 64 LYS H . . 3.580 2.868 2.742 2.898 . 0 0 "[ . 1 . 2]" 1
894 1 63 LYS H 1 65 ALA H . . 5.500 3.949 3.891 4.006 . 0 0 "[ . 1 . 2]" 1
895 1 63 LYS HA 1 63 LYS HD2 . . 5.500 4.871 4.756 4.943 . 0 0 "[ . 1 . 2]" 1
896 1 63 LYS HA 1 63 LYS HD3 . . 5.500 4.458 4.351 4.518 . 0 0 "[ . 1 . 2]" 1
897 1 63 LYS HA 1 63 LYS HG2 . . 4.040 2.630 2.468 2.867 . 0 0 "[ . 1 . 2]" 1
898 1 63 LYS HA 1 63 LYS HG3 . . 3.470 3.025 2.784 3.149 . 0 0 "[ . 1 . 2]" 1
899 1 63 LYS HA 1 64 LYS H . . 4.270 3.555 3.545 3.560 . 0 0 "[ . 1 . 2]" 1
900 1 63 LYS HA 1 66 SER H . . 4.250 4.066 3.999 4.113 . 0 0 "[ . 1 . 2]" 1
901 1 63 LYS HA 1 66 SER HB2 . . 4.780 4.814 4.793 4.852 0.072 15 0 "[ . 1 . 2]" 1
902 1 63 LYS HA 1 66 SER HB3 . . 3.890 3.926 3.903 3.953 0.063 5 0 "[ . 1 . 2]" 1
903 1 63 LYS HB2 1 63 LYS HE2 . . 5.500 4.158 3.827 4.658 . 0 0 "[ . 1 . 2]" 1
904 1 63 LYS HB2 1 63 LYS HE3 . . 5.500 4.548 3.982 4.795 . 0 0 "[ . 1 . 2]" 1
905 1 63 LYS HB2 1 64 LYS H . . 4.220 2.451 2.384 2.566 . 0 0 "[ . 1 . 2]" 1
906 1 63 LYS HB3 1 63 LYS HE2 . . 5.500 3.357 2.829 4.299 . 0 0 "[ . 1 . 2]" 1
907 1 63 LYS HB3 1 63 LYS HE3 . . 5.500 4.054 2.934 4.663 . 0 0 "[ . 1 . 2]" 1
908 1 63 LYS HB3 1 64 LYS H . . 4.570 3.533 3.397 3.605 . 0 0 "[ . 1 . 2]" 1
909 1 63 LYS HD2 1 64 LYS H . . 5.500 5.448 4.953 5.505 0.005 15 0 "[ . 1 . 2]" 1
910 1 63 LYS HD2 1 102 LEU MD1 . . 5.500 4.837 4.265 5.327 . 0 0 "[ . 1 . 2]" 1
911 1 63 LYS HD2 1 106 TYR QD . . 5.500 4.230 3.361 5.114 . 0 0 "[ . 1 . 2]" 1
912 1 63 LYS HD2 1 106 TYR QE . . 5.350 3.627 3.058 4.300 . 0 0 "[ . 1 . 2]" 1
913 1 63 LYS HD3 1 64 LYS H . . 5.500 4.724 4.341 4.980 . 0 0 "[ . 1 . 2]" 1
914 1 63 LYS HD3 1 106 TYR QE . . 5.500 5.026 4.444 5.509 0.009 18 0 "[ . 1 . 2]" 1
915 1 63 LYS HG2 1 64 LYS H . . 5.190 4.940 4.861 5.059 . 0 0 "[ . 1 . 2]" 1
916 1 63 LYS HG2 1 106 TYR QD . . 5.500 2.647 2.143 3.257 . 0 0 "[ . 1 . 2]" 1
917 1 63 LYS HG3 1 106 TYR QE . . 4.340 3.584 3.106 4.102 . 0 0 "[ . 1 . 2]" 1
918 1 64 LYS H 1 64 LYS HB2 . . 3.480 2.269 2.077 2.666 . 0 0 "[ . 1 . 2]" 1
919 1 64 LYS H 1 65 ALA H . . 3.470 2.452 2.424 2.516 . 0 0 "[ . 1 . 2]" 1
920 1 64 LYS H 1 66 SER H . . 4.880 4.233 4.185 4.306 . 0 0 "[ . 1 . 2]" 1
921 1 64 LYS HA 1 65 ALA H . . 4.840 3.489 3.475 3.500 . 0 0 "[ . 1 . 2]" 1
922 1 64 LYS HA 1 67 GLN H . . 4.270 3.089 3.035 3.194 . 0 0 "[ . 1 . 2]" 1
923 1 64 LYS HA 1 67 GLN HB2 . . 3.910 2.914 2.721 4.024 0.114 14 0 "[ . 1 . 2]" 1
924 1 64 LYS HA 1 67 GLN HB3 . . 4.280 4.247 2.440 4.413 0.133 7 0 "[ . 1 . 2]" 1
925 1 64 LYS HA 1 67 GLN HG2 . . 5.500 4.089 3.633 4.326 . 0 0 "[ . 1 . 2]" 1
926 1 64 LYS HA 1 67 GLN HG3 . . 5.500 2.521 2.002 5.127 . 0 0 "[ . 1 . 2]" 1
927 1 64 LYS HB2 1 65 ALA H . . 4.080 3.150 2.809 3.657 . 0 0 "[ . 1 . 2]" 1
928 1 64 LYS HB2 1 65 ALA MB . . 5.500 4.630 4.234 5.170 . 0 0 "[ . 1 . 2]" 1
929 1 64 LYS HB3 1 65 ALA H . . 4.530 3.465 2.954 4.024 . 0 0 "[ . 1 . 2]" 1
930 1 64 LYS HB3 1 65 ALA HA . . 5.500 4.205 3.896 4.793 . 0 0 "[ . 1 . 2]" 1
931 1 64 LYS HB3 1 68 LEU MD2 . . 5.500 4.426 4.205 4.847 . 0 0 "[ . 1 . 2]" 1
932 1 65 ALA H 1 65 ALA MB . . 3.250 2.196 2.026 2.234 . 0 0 "[ . 1 . 2]" 1
933 1 65 ALA H 1 66 SER H . . 3.730 2.779 2.755 2.837 . 0 0 "[ . 1 . 2]" 1
934 1 65 ALA H 1 67 GLN H . . 5.500 4.131 4.086 4.209 . 0 0 "[ . 1 . 2]" 1
935 1 65 ALA H 1 70 VAL MG2 . . 5.500 4.947 4.574 5.203 . 0 0 "[ . 1 . 2]" 1
936 1 65 ALA H 1 72 ILE MG . . 5.500 4.895 4.559 5.176 . 0 0 "[ . 1 . 2]" 1
937 1 65 ALA HA 1 66 SER H . . 3.930 3.507 3.494 3.540 . 0 0 "[ . 1 . 2]" 1
938 1 65 ALA HA 1 68 LEU HB2 . . 5.500 3.400 3.131 3.859 . 0 0 "[ . 1 . 2]" 1
939 1 65 ALA HA 1 68 LEU HB3 . . 5.500 5.101 4.866 5.475 . 0 0 "[ . 1 . 2]" 1
940 1 65 ALA HA 1 68 LEU MD1 . . 4.540 2.166 2.071 2.392 . 0 0 "[ . 1 . 2]" 1
941 1 65 ALA HA 1 68 LEU MD2 . . 4.720 4.776 4.742 4.822 0.102 2 0 "[ . 1 . 2]" 1
942 1 65 ALA HA 1 68 LEU HG . . 5.500 4.823 4.662 5.129 . 0 0 "[ . 1 . 2]" 1
943 1 65 ALA HA 1 70 VAL H . . 4.150 3.859 3.564 4.039 . 0 0 "[ . 1 . 2]" 1
944 1 65 ALA HA 1 70 VAL MG2 . . 3.490 2.631 2.259 2.889 . 0 0 "[ . 1 . 2]" 1
945 1 65 ALA MB 1 66 SER H . . 3.410 2.720 2.580 2.831 . 0 0 "[ . 1 . 2]" 1
946 1 65 ALA MB 1 66 SER HA . . 5.500 3.854 3.764 3.888 . 0 0 "[ . 1 . 2]" 1
947 1 65 ALA MB 1 67 GLN H . . 5.500 4.456 4.350 4.552 . 0 0 "[ . 1 . 2]" 1
948 1 65 ALA MB 1 68 LEU H . . 5.500 4.739 4.651 4.841 . 0 0 "[ . 1 . 2]" 1
949 1 65 ALA MB 1 70 VAL H . . 4.660 4.139 3.942 4.352 . 0 0 "[ . 1 . 2]" 1
950 1 65 ALA MB 1 70 VAL MG2 . . 3.280 2.952 2.706 3.175 . 0 0 "[ . 1 . 2]" 1
951 1 65 ALA MB 1 72 ILE MD . . 3.400 3.472 3.445 3.495 0.095 1 0 "[ . 1 . 2]" 1
952 1 65 ALA MB 1 72 ILE MG . . 3.240 2.626 2.258 2.872 . 0 0 "[ . 1 . 2]" 1
953 1 65 ALA MB 1 110 TYR QD . . 4.610 4.706 4.662 4.799 0.189 16 0 "[ . 1 . 2]" 1
954 1 66 SER H 1 66 SER HB2 . . 3.830 2.873 2.779 2.939 . 0 0 "[ . 1 . 2]" 1
955 1 66 SER H 1 66 SER HB3 . . 3.500 2.284 2.249 2.323 . 0 0 "[ . 1 . 2]" 1
956 1 66 SER H 1 67 GLN H . . 3.580 2.474 2.439 2.586 . 0 0 "[ . 1 . 2]" 1
957 1 66 SER H 1 109 ILE MD . . 3.680 3.429 2.988 3.690 0.010 11 0 "[ . 1 . 2]" 1
958 1 66 SER H 1 109 ILE MG . . 4.600 3.570 3.091 4.040 . 0 0 "[ . 1 . 2]" 1
959 1 66 SER HA 1 67 GLN H . . 4.460 3.481 3.474 3.505 . 0 0 "[ . 1 . 2]" 1
960 1 66 SER HA 1 68 LEU H . . 5.500 4.405 3.933 4.651 . 0 0 "[ . 1 . 2]" 1
961 1 66 SER HA 1 69 GLY H . . 5.500 3.428 2.973 3.560 . 0 0 "[ . 1 . 2]" 1
962 1 66 SER HA 1 70 VAL H . . 5.500 4.363 4.014 4.717 . 0 0 "[ . 1 . 2]" 1
963 1 66 SER HA 1 109 ILE MD . . 3.450 3.393 3.179 3.512 0.062 7 0 "[ . 1 . 2]" 1
964 1 66 SER HA 1 109 ILE MG . . 3.850 2.213 1.953 2.489 . 0 0 "[ . 1 . 2]" 1
965 1 66 SER HB2 1 67 GLN H . . 4.560 4.183 4.131 4.208 . 0 0 "[ . 1 . 2]" 1
966 1 66 SER HB2 1 109 ILE MD . . 3.520 1.965 1.923 2.018 . 0 0 "[ . 1 . 2]" 1
967 1 66 SER HB2 1 109 ILE HG13 . . 4.070 3.868 3.596 4.147 0.077 6 0 "[ . 1 . 2]" 1
968 1 66 SER HB2 1 109 ILE MG . . 4.910 2.315 1.955 2.613 . 0 0 "[ . 1 . 2]" 1
969 1 66 SER HB3 1 67 GLN H . . 4.020 2.979 2.881 3.015 . 0 0 "[ . 1 . 2]" 1
970 1 66 SER HB3 1 109 ILE MD . . 4.210 3.227 2.976 3.446 . 0 0 "[ . 1 . 2]" 1
971 1 66 SER HB3 1 109 ILE MG . . 5.500 3.713 3.321 4.056 . 0 0 "[ . 1 . 2]" 1
972 1 67 GLN H 1 67 GLN HB2 . . 3.440 2.468 2.307 3.310 . 0 0 "[ . 1 . 2]" 1
973 1 67 GLN H 1 67 GLN HB3 . . 3.630 3.508 2.088 3.607 . 0 0 "[ . 1 . 2]" 1
974 1 67 GLN H 1 67 GLN HG2 . . 3.410 3.259 3.004 3.501 0.091 14 0 "[ . 1 . 2]" 1
975 1 67 GLN H 1 67 GLN HG3 . . 4.230 2.617 1.980 4.322 0.092 14 0 "[ . 1 . 2]" 1
976 1 67 GLN H 1 68 LEU H . . 3.390 2.568 2.519 2.657 . 0 0 "[ . 1 . 2]" 1
977 1 67 GLN H 1 68 LEU HG . . 5.500 4.650 4.373 5.052 . 0 0 "[ . 1 . 2]" 1
978 1 67 GLN H 1 69 GLY H . . 5.500 3.711 3.617 3.850 . 0 0 "[ . 1 . 2]" 1
979 1 67 GLN H 1 109 ILE MG . . 5.500 4.997 4.594 5.368 . 0 0 "[ . 1 . 2]" 1
980 1 67 GLN HA 1 67 GLN HE21 . . 5.500 4.535 3.323 5.294 . 0 0 "[ . 1 . 2]" 1
981 1 67 GLN HA 1 67 GLN HG2 . . 3.550 2.435 2.235 3.708 0.158 14 0 "[ . 1 . 2]" 1
982 1 67 GLN HA 1 67 GLN HG3 . . 3.350 3.306 3.154 3.366 0.016 19 0 "[ . 1 . 2]" 1
983 1 67 GLN HA 1 68 LEU H . . 3.590 3.532 3.482 3.554 . 0 0 "[ . 1 . 2]" 1
984 1 67 GLN HB2 1 68 LEU H . . 4.070 2.725 2.439 4.135 0.065 14 0 "[ . 1 . 2]" 1
985 1 67 GLN HB2 1 68 LEU HG . . 5.500 3.303 2.970 4.964 . 0 0 "[ . 1 . 2]" 1
986 1 67 GLN HB3 1 68 LEU H . . 4.020 3.588 3.166 3.799 . 0 0 "[ . 1 . 2]" 1
987 1 67 GLN HE21 1 68 LEU H . . 5.500 5.208 4.615 5.514 0.014 13 0 "[ . 1 . 2]" 1
988 1 67 GLN HG2 1 68 LEU H . . 5.050 4.729 2.410 5.000 . 0 0 "[ . 1 . 2]" 1
989 1 67 GLN HG3 1 68 LEU H . . 4.540 4.345 3.531 4.565 0.025 13 0 "[ . 1 . 2]" 1
990 1 67 GLN HG3 1 68 LEU HG . . 5.500 5.366 3.192 5.522 0.022 1 0 "[ . 1 . 2]" 1
991 1 68 LEU H 1 68 LEU HB2 . . 3.330 2.614 2.491 2.786 . 0 0 "[ . 1 . 2]" 1
992 1 68 LEU H 1 68 LEU HB3 . . 3.800 3.627 3.598 3.700 . 0 0 "[ . 1 . 2]" 1
993 1 68 LEU H 1 68 LEU MD1 . . 4.170 2.328 2.232 2.425 . 0 0 "[ . 1 . 2]" 1
994 1 68 LEU H 1 68 LEU MD2 . . 3.970 3.984 3.876 4.045 0.075 14 0 "[ . 1 . 2]" 1
995 1 68 LEU H 1 68 LEU HG . . 3.580 2.593 2.391 2.790 . 0 0 "[ . 1 . 2]" 1
996 1 68 LEU H 1 69 GLY H . . 3.820 2.463 2.129 2.545 . 0 0 "[ . 1 . 2]" 1
997 1 68 LEU H 1 70 VAL H . . 5.500 3.742 3.500 4.000 . 0 0 "[ . 1 . 2]" 1
998 1 68 LEU H 1 70 VAL MG1 . . 4.460 4.546 4.505 4.596 0.136 16 0 "[ . 1 . 2]" 1
999 1 68 LEU H 1 70 VAL MG2 . . 4.810 4.043 3.849 4.264 . 0 0 "[ . 1 . 2]" 1
1000 1 68 LEU HA 1 68 LEU MD1 . . 4.050 3.766 3.661 3.820 . 0 0 "[ . 1 . 2]" 1
1001 1 68 LEU HA 1 68 LEU MD2 . . 3.160 3.199 3.162 3.282 0.122 15 0 "[ . 1 . 2]" 1
1002 1 68 LEU HA 1 68 LEU HG . . 3.760 2.668 2.521 2.810 . 0 0 "[ . 1 . 2]" 1
1003 1 68 LEU HA 1 69 GLY H . . 3.960 3.294 3.217 3.373 . 0 0 "[ . 1 . 2]" 1
1004 1 68 LEU HA 1 70 VAL MG1 . . 4.740 3.934 3.775 4.102 . 0 0 "[ . 1 . 2]" 1
1005 1 68 LEU HA 1 70 VAL MG2 . . 5.500 4.729 4.569 4.846 . 0 0 "[ . 1 . 2]" 1
1006 1 68 LEU HB2 1 69 GLY H . . 4.560 3.466 3.290 3.639 . 0 0 "[ . 1 . 2]" 1
1007 1 68 LEU HB2 1 70 VAL H . . 4.480 2.743 2.554 2.886 . 0 0 "[ . 1 . 2]" 1
1008 1 68 LEU HB2 1 70 VAL MG1 . . 3.740 2.410 2.294 2.495 . 0 0 "[ . 1 . 2]" 1
1009 1 68 LEU HB2 1 70 VAL MG2 . . 3.680 2.289 2.103 2.407 . 0 0 "[ . 1 . 2]" 1
1010 1 68 LEU HB3 1 68 LEU HG . . 2.750 2.800 2.778 2.817 0.067 20 0 "[ . 1 . 2]" 1
1011 1 68 LEU HB3 1 69 GLY H . . 5.270 4.328 4.211 4.443 . 0 0 "[ . 1 . 2]" 1
1012 1 68 LEU HB3 1 70 VAL H . . 4.860 3.921 3.696 4.206 . 0 0 "[ . 1 . 2]" 1
1013 1 68 LEU HB3 1 70 VAL MG1 . . 4.200 2.362 2.125 2.758 . 0 0 "[ . 1 . 2]" 1
1014 1 68 LEU HB3 1 70 VAL MG2 . . 3.940 3.182 3.037 3.436 . 0 0 "[ . 1 . 2]" 1
1015 1 68 LEU MD1 1 70 VAL H . . 5.500 3.828 3.492 4.067 . 0 0 "[ . 1 . 2]" 1
1016 1 68 LEU MD1 1 70 VAL MG1 . . 3.760 3.665 3.422 3.781 0.021 14 0 "[ . 1 . 2]" 1
1017 1 68 LEU MD1 1 70 VAL MG2 . . 3.600 2.703 2.434 2.944 . 0 0 "[ . 1 . 2]" 1
1018 1 68 LEU MD2 1 69 GLY H . . 5.480 5.309 5.203 5.368 . 0 0 "[ . 1 . 2]" 1
1019 1 68 LEU MD2 1 70 VAL MG2 . . 3.360 3.396 3.349 3.431 0.071 10 0 "[ . 1 . 2]" 1
1020 1 68 LEU HG 1 69 GLY H . . 5.020 4.618 4.412 4.778 . 0 0 "[ . 1 . 2]" 1
1021 1 68 LEU HG 1 70 VAL MG2 . . 5.500 4.545 4.368 4.725 . 0 0 "[ . 1 . 2]" 1
1022 1 69 GLY H 1 70 VAL H . . 3.170 2.695 2.541 2.823 . 0 0 "[ . 1 . 2]" 1
1023 1 69 GLY H 1 70 VAL MG1 . . 4.810 4.202 4.126 4.259 . 0 0 "[ . 1 . 2]" 1
1024 1 69 GLY H 1 70 VAL MG2 . . 4.910 4.190 4.036 4.288 . 0 0 "[ . 1 . 2]" 1
1025 1 69 GLY HA2 1 70 VAL H . . 4.050 3.041 2.887 3.162 . 0 0 "[ . 1 . 2]" 1
1026 1 69 GLY HA2 1 70 VAL MG1 . . 4.600 4.509 4.435 4.590 . 0 0 "[ . 1 . 2]" 1
1027 1 69 GLY HA3 1 70 VAL H . . 3.870 3.448 3.374 3.520 . 0 0 "[ . 1 . 2]" 1
1028 1 69 GLY HA3 1 70 VAL MG1 . . 3.890 3.950 3.892 4.095 0.205 16 0 "[ . 1 . 2]" 1
1029 1 70 VAL H 1 70 VAL MG1 . . 3.390 2.603 2.483 2.701 . 0 0 "[ . 1 . 2]" 1
1030 1 70 VAL H 1 70 VAL MG2 . . 3.090 2.159 2.001 2.239 . 0 0 "[ . 1 . 2]" 1
1031 1 70 VAL H 1 71 LYS H . . 5.360 3.860 1.994 4.554 . 0 0 "[ . 1 . 2]" 1
1032 1 70 VAL HA 1 70 VAL MG1 . . 3.030 2.372 2.353 2.399 . 0 0 "[ . 1 . 2]" 1
1033 1 70 VAL HA 1 71 LYS H . . 3.350 2.783 2.268 3.502 0.152 7 0 "[ . 1 . 2]" 1
1034 1 70 VAL HB 1 71 LYS H . . 3.700 2.638 1.972 3.961 0.261 2 0 "[ . 1 . 2]" 1
1035 1 70 VAL MG1 1 70 VAL MG2 . . 3.080 1.968 1.904 2.061 . 0 0 "[ . 1 . 2]" 1
1036 1 70 VAL MG1 1 71 LYS H . . 3.930 3.773 3.634 3.933 0.003 3 0 "[ . 1 . 2]" 1
1037 1 70 VAL MG1 1 71 LYS HD2 . . 5.500 4.806 4.382 5.260 . 0 0 "[ . 1 . 2]" 1
1038 1 70 VAL MG2 1 71 LYS H . . 4.030 2.668 1.919 3.545 . 0 0 "[ . 1 . 2]" 1
1039 1 70 VAL MG2 1 71 LYS HD2 . . 5.500 4.563 4.156 5.315 . 0 0 "[ . 1 . 2]" 1
1040 1 70 VAL MG2 1 71 LYS HG3 . . 5.500 4.764 4.339 5.492 . 0 0 "[ . 1 . 2]" 1
1041 1 70 VAL MG2 1 72 ILE MG . . 3.480 3.487 3.255 3.569 0.089 6 0 "[ . 1 . 2]" 1
1042 1 71 LYS H 1 71 LYS HB2 . . 3.650 2.939 2.392 3.706 0.056 13 0 "[ . 1 . 2]" 1
1043 1 71 LYS H 1 71 LYS HB3 . . 4.180 3.850 3.627 4.040 . 0 0 "[ . 1 . 2]" 1
1044 1 71 LYS H 1 71 LYS HD2 . . 5.500 3.083 2.099 3.617 . 0 0 "[ . 1 . 2]" 1
1045 1 71 LYS H 1 71 LYS HD3 . . 5.500 3.552 2.356 4.695 . 0 0 "[ . 1 . 2]" 1
1046 1 71 LYS H 1 71 LYS HG2 . . 4.690 4.451 4.074 4.695 0.005 5 0 "[ . 1 . 2]" 1
1047 1 71 LYS H 1 71 LYS HG3 . . 4.500 3.481 2.671 4.143 . 0 0 "[ . 1 . 2]" 1
1048 1 71 LYS H 1 72 ILE H . . 5.320 4.455 4.333 4.614 . 0 0 "[ . 1 . 2]" 1
1049 1 71 LYS HA 1 71 LYS HD2 . . 5.500 3.742 3.346 4.283 . 0 0 "[ . 1 . 2]" 1
1050 1 71 LYS HA 1 71 LYS HD3 . . 5.500 4.213 3.622 4.834 . 0 0 "[ . 1 . 2]" 1
1051 1 71 LYS HA 1 71 LYS HG3 . . 4.330 2.445 2.306 2.605 . 0 0 "[ . 1 . 2]" 1
1052 1 71 LYS HA 1 72 ILE H . . 3.230 2.519 2.264 2.725 . 0 0 "[ . 1 . 2]" 1
1053 1 71 LYS HA 1 72 ILE HG12 . . 5.500 3.965 3.873 4.129 . 0 0 "[ . 1 . 2]" 1
1054 1 71 LYS HA 1 72 ILE HG13 . . 5.500 5.522 5.433 5.584 0.084 16 0 "[ . 1 . 2]" 1
1055 1 71 LYS HA 1 72 ILE MG . . 5.500 3.495 3.197 3.642 . 0 0 "[ . 1 . 2]" 1
1056 1 71 LYS HA 1 109 ILE HB . . 4.290 2.878 2.734 3.240 . 0 0 "[ . 1 . 2]" 1
1057 1 71 LYS HA 1 109 ILE MG . . 3.970 4.021 3.991 4.066 0.096 10 0 "[ . 1 . 2]" 1
1058 1 71 LYS HB2 1 71 LYS HE2 . . 5.500 4.087 3.527 4.438 . 0 0 "[ . 1 . 2]" 1
1059 1 71 LYS HB2 1 71 LYS HE3 . . 5.500 4.382 3.580 4.656 . 0 0 "[ . 1 . 2]" 1
1060 1 71 LYS HB2 1 72 ILE H . . 4.490 3.354 2.779 4.024 . 0 0 "[ . 1 . 2]" 1
1061 1 71 LYS HB3 1 71 LYS HE2 . . 5.500 4.572 4.178 5.304 . 0 0 "[ . 1 . 2]" 1
1062 1 71 LYS HB3 1 71 LYS HE3 . . 5.500 4.927 4.206 5.411 . 0 0 "[ . 1 . 2]" 1
1063 1 71 LYS HB3 1 72 ILE H . . 4.350 2.318 1.948 2.816 . 0 0 "[ . 1 . 2]" 1
1064 1 71 LYS HD2 1 72 ILE H . . 5.500 5.387 4.922 5.520 0.020 6 0 "[ . 1 . 2]" 1
1065 1 71 LYS HD3 1 72 ILE H . . 5.500 5.251 4.767 5.505 0.005 11 0 "[ . 1 . 2]" 1
1066 1 71 LYS HG2 1 72 ILE H . . 4.750 4.407 4.152 4.706 . 0 0 "[ . 1 . 2]" 1
1067 1 71 LYS HG2 1 109 ILE MG . . 5.500 3.930 2.758 4.846 . 0 0 "[ . 1 . 2]" 1
1068 1 71 LYS HG3 1 72 ILE H . . 4.940 4.165 3.859 4.427 . 0 0 "[ . 1 . 2]" 1
1069 1 71 LYS HG3 1 109 ILE HA . . 3.780 3.310 2.440 3.794 0.014 12 0 "[ . 1 . 2]" 1
1070 1 71 LYS HG3 1 109 ILE HB . . 4.540 2.783 1.998 3.773 . 0 0 "[ . 1 . 2]" 1
1071 1 72 ILE H 1 72 ILE MD . . 4.610 3.724 3.472 4.013 . 0 0 "[ . 1 . 2]" 1
1072 1 72 ILE H 1 72 ILE HG12 . . 5.500 2.117 1.925 2.429 . 0 0 "[ . 1 . 2]" 1
1073 1 72 ILE H 1 72 ILE HG13 . . 4.540 3.287 3.191 3.395 . 0 0 "[ . 1 . 2]" 1
1074 1 72 ILE H 1 72 ILE MG . . 4.590 2.885 2.489 3.129 . 0 0 "[ . 1 . 2]" 1
1075 1 72 ILE H 1 73 ARG H . . 5.500 4.432 4.332 4.557 . 0 0 "[ . 1 . 2]" 1
1076 1 72 ILE H 1 110 TYR HA . . 4.100 3.443 3.194 3.655 . 0 0 "[ . 1 . 2]" 1
1077 1 72 ILE HA 1 72 ILE HG12 . . 4.080 3.663 3.623 3.728 . 0 0 "[ . 1 . 2]" 1
1078 1 72 ILE HA 1 72 ILE HG13 . . 4.490 3.773 3.688 3.824 . 0 0 "[ . 1 . 2]" 1
1079 1 72 ILE HA 1 72 ILE MG . . 3.540 2.271 2.217 2.379 . 0 0 "[ . 1 . 2]" 1
1080 1 72 ILE HA 1 73 ARG H . . 3.330 2.500 2.162 2.606 . 0 0 "[ . 1 . 2]" 1
1081 1 72 ILE HB 1 72 ILE MD . . 3.010 2.494 2.414 2.550 . 0 0 "[ . 1 . 2]" 1
1082 1 72 ILE HB 1 73 ARG H . . 5.380 2.250 1.994 3.166 . 0 0 "[ . 1 . 2]" 1
1083 1 72 ILE MD 1 72 ILE MG . . 2.880 1.962 1.880 2.067 . 0 0 "[ . 1 . 2]" 1
1084 1 72 ILE MD 1 110 TYR H . . 5.500 4.831 4.661 5.057 . 0 0 "[ . 1 . 2]" 1
1085 1 72 ILE MD 1 110 TYR HA . . 4.950 4.171 3.845 4.488 . 0 0 "[ . 1 . 2]" 1
1086 1 72 ILE MD 1 110 TYR HB2 . . 3.640 2.325 2.015 2.626 . 0 0 "[ . 1 . 2]" 1
1087 1 72 ILE MD 1 110 TYR HB3 . . 3.730 2.524 2.317 2.820 . 0 0 "[ . 1 . 2]" 1
1088 1 72 ILE MD 1 110 TYR QD . . 5.500 2.754 2.296 3.134 . 0 0 "[ . 1 . 2]" 1
1089 1 72 ILE MD 1 111 SER H . . 4.490 4.143 3.890 4.438 . 0 0 "[ . 1 . 2]" 1
1090 1 72 ILE HG12 1 72 ILE MG . . 3.740 2.438 2.383 2.497 . 0 0 "[ . 1 . 2]" 1
1091 1 72 ILE HG12 1 73 ARG H . . 5.500 4.343 4.109 4.903 . 0 0 "[ . 1 . 2]" 1
1092 1 72 ILE HG12 1 110 TYR HA . . 4.770 3.249 2.895 3.600 . 0 0 "[ . 1 . 2]" 1
1093 1 72 ILE HG12 1 110 TYR HB2 . . 4.480 2.236 2.000 2.470 . 0 0 "[ . 1 . 2]" 1
1094 1 72 ILE HG12 1 110 TYR HB3 . . 4.490 2.276 2.073 2.583 . 0 0 "[ . 1 . 2]" 1
1095 1 72 ILE HG12 1 111 SER H . . 4.170 4.253 4.204 4.306 0.136 8 0 "[ . 1 . 2]" 1
1096 1 72 ILE HG13 1 73 ARG H . . 5.180 3.353 2.909 4.312 . 0 0 "[ . 1 . 2]" 1
1097 1 72 ILE MG 1 73 ARG H . . 4.550 3.659 3.543 3.952 . 0 0 "[ . 1 . 2]" 1
1098 1 72 ILE MG 1 110 TYR HB2 . . 4.370 4.214 4.036 4.409 0.039 12 0 "[ . 1 . 2]" 1
1099 1 73 ARG H 1 73 ARG HB2 . . 3.860 2.567 2.061 3.581 . 0 0 "[ . 1 . 2]" 1
1100 1 73 ARG H 1 73 ARG HB3 . . 4.260 2.898 2.260 3.642 . 0 0 "[ . 1 . 2]" 1
1101 1 73 ARG H 1 73 ARG HG2 . . 4.780 3.972 1.904 4.602 . 0 0 "[ . 1 . 2]" 1
1102 1 73 ARG H 1 73 ARG HG3 . . 5.500 4.047 1.945 4.517 . 0 0 "[ . 1 . 2]" 1
1103 1 73 ARG HA 1 73 ARG HD3 . . 5.500 3.305 2.004 5.343 . 0 0 "[ . 1 . 2]" 1
1104 1 73 ARG HA 1 73 ARG HG2 . . 4.000 3.163 2.138 4.116 0.116 8 0 "[ . 1 . 2]" 1
1105 1 73 ARG HB3 1 73 ARG HD2 . . 4.380 3.153 2.320 4.081 . 0 0 "[ . 1 . 2]" 1
1106 1 73 ARG HB3 1 73 ARG HD3 . . 4.110 3.144 2.014 3.910 . 0 0 "[ . 1 . 2]" 1
1107 1 79 ALA H 1 80 GLY H . . 5.130 4.270 2.558 4.648 . 0 0 "[ . 1 . 2]" 1
1108 1 79 ALA H 1 82 ALA H . . 4.780 4.012 2.978 4.896 0.116 17 0 "[ . 1 . 2]" 1
1109 1 79 ALA H 1 82 ALA MB . . 4.340 3.359 2.240 4.348 0.008 9 0 "[ . 1 . 2]" 1
1110 1 79 ALA HA 1 80 GLY H . . 4.980 2.667 2.302 3.032 . 0 0 "[ . 1 . 2]" 1
1111 1 79 ALA HA 1 82 ALA H . . 5.500 4.911 3.828 5.568 0.068 16 0 "[ . 1 . 2]" 1
1112 1 79 ALA MB 1 80 GLY H . . 4.090 2.277 1.899 3.673 . 0 0 "[ . 1 . 2]" 1
1113 1 79 ALA MB 1 112 PHE QD . . 5.500 5.307 2.814 5.639 0.139 6 0 "[ . 1 . 2]" 1
1114 1 79 ALA MB 1 112 PHE QE . . 3.860 3.566 2.618 3.910 0.050 9 0 "[ . 1 . 2]" 1
1115 1 80 GLY HA2 1 124 ASN HB3 . . 5.500 4.720 3.572 5.576 0.076 13 0 "[ . 1 . 2]" 1
1116 1 80 GLY HA3 1 124 ASN HB3 . . 5.500 3.350 2.132 5.104 . 0 0 "[ . 1 . 2]" 1
1117 1 81 ILE HA 1 81 ILE MD . . 3.240 2.429 1.961 3.255 0.015 11 0 "[ . 1 . 2]" 1
1118 1 81 ILE HA 1 81 ILE HG12 . . 4.420 3.463 3.123 3.598 . 0 0 "[ . 1 . 2]" 1
1119 1 81 ILE HA 1 81 ILE MG . . 3.610 2.454 2.202 2.611 . 0 0 "[ . 1 . 2]" 1
1120 1 81 ILE HA 1 82 ALA H . . 4.840 3.519 3.429 3.553 . 0 0 "[ . 1 . 2]" 1
1121 1 81 ILE HA 1 84 TRP HZ3 . . 4.450 2.420 1.955 4.346 . 0 0 "[ . 1 . 2]" 1
1122 1 81 ILE HA 1 85 ALA MB . . 5.030 4.422 3.754 5.240 0.210 19 0 "[ . 1 . 2]" 1
1123 1 81 ILE HB 1 82 ALA H . . 5.500 2.761 2.477 3.102 . 0 0 "[ . 1 . 2]" 1
1124 1 81 ILE MD 1 81 ILE MG . . 3.220 2.804 1.934 3.256 0.036 17 0 "[ . 1 . 2]" 1
1125 1 81 ILE MD 1 82 ALA H . . 4.660 4.168 3.650 4.591 . 0 0 "[ . 1 . 2]" 1
1126 1 81 ILE MD 1 84 TRP HH2 . . 4.620 4.410 3.338 4.734 0.114 4 0 "[ . 1 . 2]" 1
1127 1 81 ILE MD 1 84 TRP HZ3 . . 3.480 2.833 1.933 3.492 0.012 11 0 "[ . 1 . 2]" 1
1128 1 81 ILE MD 1 127 VAL MG2 . . 5.500 5.420 4.873 5.609 0.109 4 0 "[ . 1 . 2]" 1
1129 1 81 ILE HG12 1 84 TRP HZ3 . . 5.500 4.067 3.445 5.515 0.015 20 0 "[ . 1 . 2]" 1
1130 1 81 ILE HG13 1 81 ILE MG . . 3.620 2.432 2.235 2.653 . 0 0 "[ . 1 . 2]" 1
1131 1 81 ILE HG13 1 82 ALA H . . 5.500 4.996 4.718 5.249 . 0 0 "[ . 1 . 2]" 1
1132 1 81 ILE MG 1 82 ALA H . . 4.710 3.324 2.823 4.056 . 0 0 "[ . 1 . 2]" 1
1133 1 81 ILE MG 1 82 ALA MB . . 5.500 3.843 3.265 4.760 . 0 0 "[ . 1 . 2]" 1
1134 1 81 ILE MG 1 85 ALA H . . 4.200 4.131 3.372 4.326 0.126 16 0 "[ . 1 . 2]" 1
1135 1 81 ILE MG 1 85 ALA MB . . 3.200 2.979 2.263 3.233 0.033 17 0 "[ . 1 . 2]" 1
1136 1 81 ILE MG 1 112 PHE HB3 . . 3.960 3.314 2.216 3.946 . 0 0 "[ . 1 . 2]" 1
1137 1 81 ILE MG 1 112 PHE QD . . 4.340 2.611 1.931 3.166 . 0 0 "[ . 1 . 2]" 1
1138 1 82 ALA H 1 82 ALA MB . . 3.250 2.157 2.044 2.268 . 0 0 "[ . 1 . 2]" 1
1139 1 82 ALA H 1 83 PHE H . . 3.500 2.542 2.427 2.727 . 0 0 "[ . 1 . 2]" 1
1140 1 82 ALA HA 1 83 PHE H . . 5.500 3.401 3.312 3.521 . 0 0 "[ . 1 . 2]" 1
1141 1 82 ALA HA 1 85 ALA H . . 4.430 3.376 3.097 3.987 . 0 0 "[ . 1 . 2]" 1
1142 1 82 ALA HA 1 85 ALA MB . . 4.040 2.135 1.874 3.514 . 0 0 "[ . 1 . 2]" 1
1143 1 82 ALA MB 1 83 PHE H . . 3.510 3.032 2.641 3.234 . 0 0 "[ . 1 . 2]" 1
1144 1 82 ALA MB 1 83 PHE HA . . 5.500 3.906 3.736 4.012 . 0 0 "[ . 1 . 2]" 1
1145 1 83 PHE H 1 84 TRP H . . 4.520 2.693 2.164 2.977 . 0 0 "[ . 1 . 2]" 1
1146 1 83 PHE H 1 123 PHE HB2 . . 5.500 4.592 3.725 5.531 0.031 17 0 "[ . 1 . 2]" 1
1147 1 83 PHE H 1 123 PHE HB3 . . 5.500 4.691 3.352 5.545 0.045 8 0 "[ . 1 . 2]" 1
1148 1 83 PHE HA 1 85 ALA MB . . 5.500 4.800 4.569 5.094 . 0 0 "[ . 1 . 2]" 1
1149 1 83 PHE HA 1 86 THR H . . 5.500 4.328 3.362 4.820 . 0 0 "[ . 1 . 2]" 1
1150 1 83 PHE HA 1 86 THR MG . . 5.500 3.241 1.869 4.423 . 0 0 "[ . 1 . 2]" 1
1151 1 83 PHE HA 1 123 PHE HB3 . . 5.500 5.231 4.645 5.576 0.076 17 0 "[ . 1 . 2]" 1
1152 1 84 TRP H 1 84 TRP HB2 . . 4.220 3.329 2.562 3.555 . 0 0 "[ . 1 . 2]" 1
1153 1 84 TRP H 1 84 TRP HD1 . . 5.300 5.087 4.362 5.272 . 0 0 "[ . 1 . 2]" 1
1154 1 84 TRP H 1 85 ALA H . . 3.430 2.399 2.367 2.505 . 0 0 "[ . 1 . 2]" 1
1155 1 84 TRP H 1 85 ALA MB . . 5.500 4.057 3.935 4.162 . 0 0 "[ . 1 . 2]" 1
1156 1 84 TRP HA 1 84 TRP HD1 . . 3.910 3.517 2.619 3.925 0.015 17 0 "[ . 1 . 2]" 1
1157 1 84 TRP HA 1 85 ALA H . . 5.500 3.431 3.355 3.528 . 0 0 "[ . 1 . 2]" 1
1158 1 84 TRP HA 1 85 ALA MB . . 5.500 4.909 4.804 4.994 . 0 0 "[ . 1 . 2]" 1
1159 1 84 TRP HA 1 86 THR MG . . 5.500 4.404 2.662 5.396 . 0 0 "[ . 1 . 2]" 1
1160 1 84 TRP HA 1 87 GLY H . . 5.500 3.548 3.159 3.980 . 0 0 "[ . 1 . 2]" 1
1161 1 84 TRP HB2 1 85 ALA H . . 4.430 4.271 2.879 4.455 0.025 11 0 "[ . 1 . 2]" 1
1162 1 84 TRP HB3 1 85 ALA H . . 4.600 3.560 2.834 3.952 . 0 0 "[ . 1 . 2]" 1
1163 1 84 TRP HB3 1 96 THR MG . . 5.500 4.998 3.874 5.567 0.067 4 0 "[ . 1 . 2]" 1
1164 1 84 TRP HD1 1 96 THR MG . . 4.900 4.201 3.116 4.944 0.044 11 0 "[ . 1 . 2]" 1
1165 1 84 TRP HD1 1 117 ALA HA . . 4.090 3.713 2.281 4.189 0.099 20 0 "[ . 1 . 2]" 1
1166 1 84 TRP HD1 1 117 ALA MB . . 5.010 4.585 3.853 5.175 0.165 20 0 "[ . 1 . 2]" 1
1167 1 84 TRP HE1 1 117 ALA HA . . 4.130 2.356 1.857 3.007 . 0 0 "[ . 1 . 2]" 1
1168 1 84 TRP HE1 1 117 ALA MB . . 5.500 3.741 3.446 4.014 . 0 0 "[ . 1 . 2]" 1
1169 1 84 TRP HE3 1 85 ALA H . . 5.500 3.847 3.444 4.456 . 0 0 "[ . 1 . 2]" 1
1170 1 84 TRP HE3 1 115 VAL MG1 . . 3.860 3.834 1.958 4.108 0.248 11 0 "[ . 1 . 2]" 1
1171 1 84 TRP HH2 1 96 THR MG . . 4.650 3.634 2.623 4.641 . 0 0 "[ . 1 . 2]" 1
1172 1 84 TRP HH2 1 115 VAL MG1 . . 4.150 2.861 2.505 4.373 0.223 19 0 "[ . 1 . 2]" 1
1173 1 84 TRP HZ2 1 96 THR MG . . 5.500 2.751 2.068 3.647 . 0 0 "[ . 1 . 2]" 1
1174 1 84 TRP HZ2 1 115 VAL MG1 . . 5.500 3.070 2.651 5.072 . 0 0 "[ . 1 . 2]" 1
1175 1 84 TRP HZ2 1 115 VAL MG2 . . 5.500 3.489 2.729 5.647 0.147 19 0 "[ . 1 . 2]" 1
1176 1 84 TRP HZ3 1 96 THR MG . . 5.090 4.494 3.294 5.099 0.009 4 0 "[ . 1 . 2]" 1
1177 1 84 TRP HZ3 1 115 VAL MG1 . . 4.730 3.361 2.664 4.039 . 0 0 "[ . 1 . 2]" 1
1178 1 85 ALA H 1 85 ALA MB . . 3.110 2.170 2.049 2.263 . 0 0 "[ . 1 . 2]" 1
1179 1 85 ALA H 1 86 THR H . . 3.330 2.709 2.388 2.812 . 0 0 "[ . 1 . 2]" 1
1180 1 85 ALA H 1 86 THR MG . . 4.080 3.935 3.320 4.078 . 0 0 "[ . 1 . 2]" 1
1181 1 85 ALA H 1 87 GLY H . . 5.500 4.360 4.042 4.510 . 0 0 "[ . 1 . 2]" 1
1182 1 85 ALA HA 1 86 THR H . . 4.740 3.453 3.358 3.520 . 0 0 "[ . 1 . 2]" 1
1183 1 85 ALA MB 1 86 THR H . . 3.720 2.918 2.681 3.134 . 0 0 "[ . 1 . 2]" 1
1184 1 85 ALA MB 1 86 THR HA . . 4.420 3.871 3.806 3.961 . 0 0 "[ . 1 . 2]" 1
1185 1 85 ALA MB 1 112 PHE QD . . 5.500 4.220 3.242 5.522 0.022 17 0 "[ . 1 . 2]" 1
1186 1 86 THR H 1 86 THR HB . . 4.220 3.570 2.634 3.677 . 0 0 "[ . 1 . 2]" 1
1187 1 86 THR H 1 86 THR MG . . 3.420 2.135 1.915 2.332 . 0 0 "[ . 1 . 2]" 1
1188 1 86 THR H 1 87 GLY H . . 3.640 2.626 2.572 2.670 . 0 0 "[ . 1 . 2]" 1
1189 1 86 THR HA 1 86 THR HB . . 3.070 2.421 2.380 2.511 . 0 0 "[ . 1 . 2]" 1
1190 1 86 THR HA 1 86 THR MG . . 3.020 2.416 2.287 3.193 0.173 17 0 "[ . 1 . 2]" 1
1191 1 86 THR HA 1 87 GLY H . . 4.300 3.468 3.131 3.545 . 0 0 "[ . 1 . 2]" 1
1192 1 86 THR MG 1 87 GLY H . . 5.060 3.796 1.895 4.151 . 0 0 "[ . 1 . 2]" 1
1193 1 87 GLY H 1 88 GLU H . . 3.860 3.286 2.585 3.892 0.032 4 0 "[ . 1 . 2]" 1
1194 1 87 GLY HA2 1 88 GLU H . . 5.300 2.375 2.169 2.787 . 0 0 "[ . 1 . 2]" 1
1195 1 87 GLY HA3 1 88 GLU H . . 5.110 3.513 3.384 3.569 . 0 0 "[ . 1 . 2]" 1
1196 1 88 GLU H 1 88 GLU HB2 . . 3.450 2.329 2.098 2.816 . 0 0 "[ . 1 . 2]" 1
1197 1 88 GLU H 1 88 GLU HB3 . . 3.670 3.403 2.538 3.684 0.014 13 0 "[ . 1 . 2]" 1
1198 1 88 GLU H 1 88 GLU HG2 . . 4.440 3.899 2.724 4.437 . 0 0 "[ . 1 . 2]" 1
1199 1 88 GLU H 1 88 GLU HG3 . . 5.500 3.590 2.575 4.599 . 0 0 "[ . 1 . 2]" 1
1200 1 88 GLU H 1 89 TRP H . . 3.700 2.501 2.107 2.790 . 0 0 "[ . 1 . 2]" 1
1201 1 88 GLU HA 1 88 GLU HG2 . . 4.030 2.604 2.105 3.517 . 0 0 "[ . 1 . 2]" 1
1202 1 88 GLU HA 1 88 GLU HG3 . . 3.930 3.017 2.187 3.746 . 0 0 "[ . 1 . 2]" 1
1203 1 88 GLU HA 1 89 TRP H . . 4.610 3.530 3.453 3.570 . 0 0 "[ . 1 . 2]" 1
1204 1 88 GLU HB2 1 89 TRP H . . 4.570 2.863 2.110 3.586 . 0 0 "[ . 1 . 2]" 1
1205 1 88 GLU HB2 1 89 TRP HD1 . . 5.500 4.422 2.574 5.507 0.007 16 0 "[ . 1 . 2]" 1
1206 1 88 GLU HB3 1 89 TRP H . . 4.460 3.084 2.091 3.678 . 0 0 "[ . 1 . 2]" 1
1207 1 88 GLU HB3 1 89 TRP HB2 . . 5.500 4.321 3.117 5.486 . 0 0 "[ . 1 . 2]" 1
1208 1 88 GLU HG3 1 89 TRP H . . 5.500 4.714 3.995 5.260 . 0 0 "[ . 1 . 2]" 1
1209 1 89 TRP H 1 89 TRP HD1 . . 5.020 3.672 2.088 4.875 . 0 0 "[ . 1 . 2]" 1
1210 1 89 TRP HA 1 89 TRP HD1 . . 3.620 3.032 2.156 3.822 0.202 19 0 "[ . 1 . 2]" 1
1211 1 89 TRP HA 1 90 LYS H . . 3.440 2.286 2.138 2.370 . 0 0 "[ . 1 . 2]" 1
1212 1 89 TRP HB2 1 90 LYS H . . 5.500 4.064 2.580 4.531 . 0 0 "[ . 1 . 2]" 1
1213 1 90 LYS H 1 90 LYS HB2 . . 3.890 2.827 2.066 3.622 . 0 0 "[ . 1 . 2]" 1
1214 1 90 LYS H 1 90 LYS HB3 . . 4.200 3.159 2.466 3.722 . 0 0 "[ . 1 . 2]" 1
1215 1 90 LYS H 1 90 LYS HE2 . . 5.500 4.196 2.263 5.371 . 0 0 "[ . 1 . 2]" 1
1216 1 90 LYS H 1 90 LYS HG2 . . 4.710 3.143 1.945 4.495 . 0 0 "[ . 1 . 2]" 1
1217 1 90 LYS H 1 90 LYS HG3 . . 4.470 3.272 2.337 4.417 . 0 0 "[ . 1 . 2]" 1
1218 1 90 LYS H 1 91 ALA H . . 4.970 4.279 4.040 4.647 . 0 0 "[ . 1 . 2]" 1
1219 1 90 LYS HA 1 90 LYS HD2 . . 5.500 4.389 3.068 5.376 . 0 0 "[ . 1 . 2]" 1
1220 1 90 LYS HA 1 90 LYS HD3 . . 5.500 4.357 2.354 5.193 . 0 0 "[ . 1 . 2]" 1
1221 1 90 LYS HA 1 90 LYS HG2 . . 4.050 3.094 2.184 3.637 . 0 0 "[ . 1 . 2]" 1
1222 1 90 LYS HA 1 90 LYS HG3 . . 4.490 3.297 2.194 4.152 . 0 0 "[ . 1 . 2]" 1
1223 1 90 LYS HA 1 91 ALA H . . 3.290 2.261 2.145 2.317 . 0 0 "[ . 1 . 2]" 1
1224 1 90 LYS HA 1 91 ALA MB . . 5.500 4.083 3.952 4.152 . 0 0 "[ . 1 . 2]" 1
1225 1 90 LYS HA 1 117 ALA MB . . 5.500 3.973 1.953 5.562 0.062 14 0 "[ . 1 . 2]" 1
1226 1 90 LYS HB2 1 90 LYS HE2 . . 5.500 3.976 2.484 5.288 . 0 0 "[ . 1 . 2]" 1
1227 1 90 LYS HB2 1 90 LYS HE3 . . 5.500 3.765 2.177 5.085 . 0 0 "[ . 1 . 2]" 1
1228 1 90 LYS HB2 1 91 ALA H . . 4.610 4.170 3.755 4.610 0.000 16 0 "[ . 1 . 2]" 1
1229 1 90 LYS HB3 1 90 LYS HE2 . . 5.500 4.048 2.236 5.079 . 0 0 "[ . 1 . 2]" 1
1230 1 90 LYS HB3 1 90 LYS HE3 . . 5.500 3.995 2.645 5.307 . 0 0 "[ . 1 . 2]" 1
1231 1 90 LYS HB3 1 91 ALA H . . 4.730 3.897 2.648 4.521 . 0 0 "[ . 1 . 2]" 1
1232 1 90 LYS HG2 1 91 ALA H . . 4.810 4.451 3.403 4.810 . 0 0 "[ . 1 . 2]" 1
1233 1 90 LYS HG3 1 91 ALA H . . 5.310 4.832 2.645 5.328 0.018 19 0 "[ . 1 . 2]" 1
1234 1 91 ALA H 1 91 ALA MB . . 3.390 2.181 2.027 2.263 . 0 0 "[ . 1 . 2]" 1
1235 1 91 ALA H 1 117 ALA MB . . 3.990 3.666 2.105 4.233 0.243 7 0 "[ . 1 . 2]" 1
1236 1 91 ALA HA 1 117 ALA MB . . 5.500 3.899 1.857 5.570 0.070 19 0 "[ . 1 . 2]" 1
1237 1 91 ALA MB 1 92 LYS HB2 . . 5.500 4.477 3.582 5.376 . 0 0 "[ . 1 . 2]" 1
1238 1 92 LYS H 1 92 LYS HG2 . . 5.500 3.954 2.151 4.598 . 0 0 "[ . 1 . 2]" 1
1239 1 92 LYS H 1 92 LYS HG3 . . 5.500 3.769 2.096 4.627 . 0 0 "[ . 1 . 2]" 1
1240 1 92 LYS HA 1 92 LYS HG3 . . 4.380 3.015 2.063 3.828 . 0 0 "[ . 1 . 2]" 1
1241 1 92 LYS HA 1 117 ALA MB . . 5.500 4.331 2.676 5.457 . 0 0 "[ . 1 . 2]" 1
1242 1 92 LYS HB2 1 92 LYS HD2 . . 4.050 2.943 2.056 4.039 . 0 0 "[ . 1 . 2]" 1
1243 1 92 LYS HB2 1 92 LYS HD3 . . 3.910 3.331 2.623 3.883 . 0 0 "[ . 1 . 2]" 1
1244 1 92 LYS HB2 1 117 ALA MB . . 5.500 4.459 2.911 5.560 0.060 1 0 "[ . 1 . 2]" 1
1245 1 92 LYS HB3 1 92 LYS HD2 . . 3.580 2.879 2.156 3.455 . 0 0 "[ . 1 . 2]" 1
1246 1 92 LYS HB3 1 92 LYS HD3 . . 3.730 2.714 2.059 3.707 . 0 0 "[ . 1 . 2]" 1
1247 1 92 LYS HB3 1 117 ALA MB . . 5.500 4.916 3.320 5.604 0.104 11 0 "[ . 1 . 2]" 1
1248 1 96 THR H 1 96 THR HB . . 3.950 3.126 2.970 3.530 . 0 0 "[ . 1 . 2]" 1
1249 1 96 THR H 1 96 THR MG . . 3.550 3.491 2.758 3.644 0.094 10 0 "[ . 1 . 2]" 1
1250 1 96 THR H 1 97 GLN H . . 3.250 2.724 2.458 2.845 . 0 0 "[ . 1 . 2]" 1
1251 1 96 THR H 1 117 ALA HA . . 5.210 4.881 4.188 5.259 0.049 20 0 "[ . 1 . 2]" 1
1252 1 96 THR H 1 117 ALA MB . . 4.280 3.786 3.051 4.323 0.043 16 0 "[ . 1 . 2]" 1
1253 1 96 THR HA 1 96 THR MG . . 3.220 2.127 1.965 2.221 . 0 0 "[ . 1 . 2]" 1
1254 1 96 THR HA 1 97 GLN H . . 4.700 3.503 3.457 3.556 . 0 0 "[ . 1 . 2]" 1
1255 1 96 THR HA 1 99 TYR H . . 3.950 3.471 3.201 3.690 . 0 0 "[ . 1 . 2]" 1
1256 1 96 THR HA 1 99 TYR HB2 . . 3.710 3.392 2.704 3.782 0.072 20 0 "[ . 1 . 2]" 1
1257 1 96 THR HA 1 99 TYR HB3 . . 4.250 4.175 3.872 4.462 0.212 10 0 "[ . 1 . 2]" 1
1258 1 96 THR HA 1 117 ALA HA . . 4.970 4.735 4.437 4.983 0.013 15 0 "[ . 1 . 2]" 1
1259 1 96 THR HA 1 117 ALA MB . . 4.920 4.614 4.195 4.980 0.060 5 0 "[ . 1 . 2]" 1
1260 1 96 THR HB 1 97 GLN H . . 4.520 2.958 2.629 3.484 . 0 0 "[ . 1 . 2]" 1
1261 1 96 THR HB 1 117 ALA HA . . 3.490 2.009 1.931 2.225 . 0 0 "[ . 1 . 2]" 1
1262 1 96 THR HB 1 117 ALA MB . . 3.280 2.439 2.072 3.000 . 0 0 "[ . 1 . 2]" 1
1263 1 96 THR MG 1 97 GLN H . . 4.260 4.125 4.001 4.336 0.076 7 0 "[ . 1 . 2]" 1
1264 1 96 THR MG 1 97 GLN HA . . 5.500 4.667 4.416 5.316 . 0 0 "[ . 1 . 2]" 1
1265 1 96 THR MG 1 98 ALA H . . 5.500 5.336 5.065 5.603 0.103 4 0 "[ . 1 . 2]" 1
1266 1 96 THR MG 1 99 TYR HB2 . . 4.210 3.392 2.500 4.139 . 0 0 "[ . 1 . 2]" 1
1267 1 96 THR MG 1 100 ALA MB . . 5.500 5.136 4.200 5.705 0.205 20 0 "[ . 1 . 2]" 1
1268 1 96 THR MG 1 115 VAL MG1 . . 4.730 4.611 4.224 4.837 0.107 4 0 "[ . 1 . 2]" 1
1269 1 96 THR MG 1 117 ALA HA . . 3.130 2.728 1.966 3.136 0.006 15 0 "[ . 1 . 2]" 1
1270 1 96 THR MG 1 117 ALA MB . . 3.790 3.612 3.124 3.827 0.037 12 0 "[ . 1 . 2]" 1
1271 1 97 GLN H 1 97 GLN HB2 . . 3.410 2.311 2.061 2.763 . 0 0 "[ . 1 . 2]" 1
1272 1 97 GLN H 1 97 GLN HB3 . . 3.460 3.374 3.193 3.591 0.131 11 0 "[ . 1 . 2]" 1
1273 1 97 GLN H 1 97 GLN HG2 . . 3.990 3.748 3.297 4.006 0.016 1 0 "[ . 1 . 2]" 1
1274 1 97 GLN H 1 97 GLN HG3 . . 3.690 3.111 1.918 3.904 0.214 1 0 "[ . 1 . 2]" 1
1275 1 97 GLN H 1 98 ALA H . . 3.540 2.853 2.645 2.948 . 0 0 "[ . 1 . 2]" 1
1276 1 97 GLN H 1 117 ALA HA . . 5.500 4.184 3.761 4.615 . 0 0 "[ . 1 . 2]" 1
1277 1 97 GLN H 1 117 ALA MB . . 3.760 2.739 2.105 3.087 . 0 0 "[ . 1 . 2]" 1
1278 1 97 GLN HA 1 97 GLN HG2 . . 3.680 2.434 2.020 3.557 . 0 0 "[ . 1 . 2]" 1
1279 1 97 GLN HA 1 97 GLN HG3 . . 3.460 3.031 2.552 3.271 . 0 0 "[ . 1 . 2]" 1
1280 1 97 GLN HA 1 98 ALA H . . 4.490 3.545 3.529 3.563 . 0 0 "[ . 1 . 2]" 1
1281 1 97 GLN HA 1 100 ALA H . . 5.500 3.566 3.498 3.641 . 0 0 "[ . 1 . 2]" 1
1282 1 97 GLN HA 1 101 LYS H . . 5.500 4.949 4.698 5.083 . 0 0 "[ . 1 . 2]" 1
1283 1 97 GLN HA 1 117 ALA MB . . 3.000 2.955 2.466 3.126 0.126 7 0 "[ . 1 . 2]" 1
1284 1 97 GLN HB2 1 97 GLN HE22 . . 5.330 4.061 3.258 4.686 . 0 0 "[ . 1 . 2]" 1
1285 1 97 GLN HB2 1 98 ALA H . . 3.700 2.942 2.384 3.312 . 0 0 "[ . 1 . 2]" 1
1286 1 97 GLN HB2 1 98 ALA HA . . 5.500 4.759 4.036 5.236 . 0 0 "[ . 1 . 2]" 1
1287 1 97 GLN HB2 1 98 ALA MB . . 5.500 4.460 3.890 4.880 . 0 0 "[ . 1 . 2]" 1
1288 1 97 GLN HB2 1 117 ALA MB . . 4.310 3.555 2.212 4.375 0.065 19 0 "[ . 1 . 2]" 1
1289 1 97 GLN HB3 1 98 ALA H . . 3.930 3.118 2.573 3.797 . 0 0 "[ . 1 . 2]" 1
1290 1 97 GLN HB3 1 98 ALA MB . . 5.500 4.458 3.904 5.110 . 0 0 "[ . 1 . 2]" 1
1291 1 97 GLN HE21 1 117 ALA MB . . 5.500 4.853 3.970 5.503 0.003 8 0 "[ . 1 . 2]" 1
1292 1 97 GLN HE22 1 97 GLN HG2 . . 4.230 3.880 3.444 4.099 . 0 0 "[ . 1 . 2]" 1
1293 1 97 GLN HE22 1 97 GLN HG3 . . 3.980 3.880 3.613 4.097 0.117 9 0 "[ . 1 . 2]" 1
1294 1 97 GLN HE22 1 98 ALA H . . 5.500 5.495 4.616 5.665 0.165 1 0 "[ . 1 . 2]" 1
1295 1 97 GLN HG2 1 98 ALA H . . 4.960 4.887 4.725 5.065 0.105 3 0 "[ . 1 . 2]" 1
1296 1 97 GLN HG2 1 117 ALA MB . . 3.340 2.974 2.125 3.363 0.023 10 0 "[ . 1 . 2]" 1
1297 1 97 GLN HG3 1 98 ALA H . . 5.500 4.776 4.087 5.213 . 0 0 "[ . 1 . 2]" 1
1298 1 97 GLN HG3 1 117 ALA MB . . 3.370 2.589 1.927 3.386 0.016 10 0 "[ . 1 . 2]" 1
1299 1 98 ALA H 1 98 ALA MB . . 2.860 2.134 2.040 2.238 . 0 0 "[ . 1 . 2]" 1
1300 1 98 ALA H 1 99 TYR H . . 3.530 2.810 2.700 2.888 . 0 0 "[ . 1 . 2]" 1
1301 1 98 ALA H 1 117 ALA MB . . 5.500 5.038 4.347 5.321 . 0 0 "[ . 1 . 2]" 1
1302 1 98 ALA HA 1 99 TYR H . . 4.150 3.522 3.494 3.553 . 0 0 "[ . 1 . 2]" 1
1303 1 98 ALA HA 1 101 LYS H . . 4.160 3.316 3.185 3.442 . 0 0 "[ . 1 . 2]" 1
1304 1 98 ALA HA 1 101 LYS HB2 . . 3.800 3.001 2.841 3.234 . 0 0 "[ . 1 . 2]" 1
1305 1 98 ALA HA 1 101 LYS HB3 . . 4.190 4.286 4.195 4.387 0.197 2 0 "[ . 1 . 2]" 1
1306 1 98 ALA HA 1 101 LYS HD2 . . 4.890 4.125 3.148 4.952 0.062 15 0 "[ . 1 . 2]" 1
1307 1 98 ALA HA 1 101 LYS HD3 . . 4.560 4.372 3.054 4.572 0.012 9 0 "[ . 1 . 2]" 1
1308 1 98 ALA HA 1 101 LYS HG2 . . 5.500 2.944 1.988 3.745 . 0 0 "[ . 1 . 2]" 1
1309 1 98 ALA MB 1 99 TYR H . . 3.360 2.677 2.525 2.831 . 0 0 "[ . 1 . 2]" 1
1310 1 98 ALA MB 1 99 TYR HA . . 4.130 3.762 3.657 3.864 . 0 0 "[ . 1 . 2]" 1
1311 1 98 ALA MB 1 99 TYR HB2 . . 5.500 4.450 4.222 4.778 . 0 0 "[ . 1 . 2]" 1
1312 1 98 ALA MB 1 99 TYR HB3 . . 5.500 5.009 4.764 5.367 . 0 0 "[ . 1 . 2]" 1
1313 1 98 ALA MB 1 101 LYS HB2 . . 5.500 3.883 3.704 4.087 . 0 0 "[ . 1 . 2]" 1
1314 1 98 ALA MB 1 102 LEU MD1 . . 5.500 3.498 2.763 3.998 . 0 0 "[ . 1 . 2]" 1
1315 1 98 ALA MB 1 102 LEU MD2 . . 5.500 4.509 3.543 5.327 . 0 0 "[ . 1 . 2]" 1
1316 1 99 TYR H 1 99 TYR HB2 . . 3.450 2.511 2.348 2.598 . 0 0 "[ . 1 . 2]" 1
1317 1 99 TYR H 1 99 TYR HB3 . . 3.660 2.893 2.465 3.591 . 0 0 "[ . 1 . 2]" 1
1318 1 99 TYR H 1 100 ALA H . . 3.530 2.863 2.755 2.942 . 0 0 "[ . 1 . 2]" 1
1319 1 99 TYR H 1 100 ALA MB . . 5.500 4.455 4.413 4.486 . 0 0 "[ . 1 . 2]" 1
1320 1 99 TYR HA 1 100 ALA H . . 4.390 3.549 3.505 3.567 . 0 0 "[ . 1 . 2]" 1
1321 1 99 TYR HA 1 100 ALA HA . . 5.500 4.796 4.746 4.842 . 0 0 "[ . 1 . 2]" 1
1322 1 99 TYR HA 1 102 LEU HB2 . . 4.110 2.896 2.648 3.287 . 0 0 "[ . 1 . 2]" 1
1323 1 99 TYR HA 1 102 LEU HB3 . . 4.720 4.396 4.011 4.732 0.012 2 0 "[ . 1 . 2]" 1
1324 1 99 TYR HA 1 102 LEU MD1 . . 4.200 3.067 2.165 3.485 . 0 0 "[ . 1 . 2]" 1
1325 1 99 TYR HA 1 102 LEU MD2 . . 5.500 5.073 4.267 5.451 . 0 0 "[ . 1 . 2]" 1
1326 1 99 TYR HA 1 102 LEU HG . . 4.710 4.057 2.756 4.739 0.029 15 0 "[ . 1 . 2]" 1
1327 1 99 TYR HB2 1 100 ALA H . . 3.800 3.403 2.563 3.833 0.033 19 0 "[ . 1 . 2]" 1
1328 1 99 TYR HB2 1 102 LEU MD1 . . 5.500 5.048 4.372 5.543 0.043 4 0 "[ . 1 . 2]" 1
1329 1 99 TYR HB2 1 115 VAL MG1 . . 5.500 5.396 4.013 5.634 0.134 1 0 "[ . 1 . 2]" 1
1330 1 99 TYR HB2 1 115 VAL MG2 . . 5.500 5.015 3.795 5.618 0.118 20 0 "[ . 1 . 2]" 1
1331 1 99 TYR HB3 1 100 ALA H . . 4.210 2.796 2.297 3.768 . 0 0 "[ . 1 . 2]" 1
1332 1 100 ALA H 1 100 ALA MB . . 3.160 2.116 2.033 2.248 . 0 0 "[ . 1 . 2]" 1
1333 1 100 ALA H 1 101 LYS H . . 3.810 2.654 2.498 2.771 . 0 0 "[ . 1 . 2]" 1
1334 1 100 ALA HA 1 101 LYS H . . 4.690 3.489 3.471 3.503 . 0 0 "[ . 1 . 2]" 1
1335 1 100 ALA HA 1 102 LEU H . . 5.500 4.719 4.515 5.033 . 0 0 "[ . 1 . 2]" 1
1336 1 100 ALA MB 1 101 LYS H . . 3.890 2.814 2.737 2.915 . 0 0 "[ . 1 . 2]" 1
1337 1 100 ALA MB 1 103 MET H . . 5.500 4.665 4.607 4.739 . 0 0 "[ . 1 . 2]" 1
1338 1 100 ALA MB 1 115 VAL HA . . 5.500 4.564 3.712 5.439 . 0 0 "[ . 1 . 2]" 1
1339 1 100 ALA MB 1 117 ALA HA . . 5.500 5.348 4.413 5.621 0.121 17 0 "[ . 1 . 2]" 1
1340 1 101 LYS H 1 101 LYS HD2 . . 5.500 4.135 3.400 4.637 . 0 0 "[ . 1 . 2]" 1
1341 1 101 LYS H 1 101 LYS HD3 . . 5.500 3.779 2.755 4.703 . 0 0 "[ . 1 . 2]" 1
1342 1 101 LYS H 1 101 LYS HG2 . . 4.800 2.225 1.901 2.716 . 0 0 "[ . 1 . 2]" 1
1343 1 101 LYS H 1 101 LYS HG3 . . 5.170 2.954 2.029 3.520 . 0 0 "[ . 1 . 2]" 1
1344 1 101 LYS H 1 102 LEU H . . 4.130 2.579 2.522 2.645 . 0 0 "[ . 1 . 2]" 1
1345 1 101 LYS H 1 102 LEU HB2 . . 5.500 4.516 4.285 4.826 . 0 0 "[ . 1 . 2]" 1
1346 1 101 LYS H 1 102 LEU HG . . 5.500 4.894 3.901 5.526 0.026 8 0 "[ . 1 . 2]" 1
1347 1 101 LYS H 1 103 MET H . . 5.500 3.783 3.659 3.910 . 0 0 "[ . 1 . 2]" 1
1348 1 101 LYS HA 1 101 LYS HD2 . . 5.500 3.503 2.068 4.793 . 0 0 "[ . 1 . 2]" 1
1349 1 101 LYS HA 1 101 LYS HD3 . . 5.500 3.366 2.390 4.983 . 0 0 "[ . 1 . 2]" 1
1350 1 101 LYS HA 1 102 LEU H . . 4.690 3.555 3.540 3.570 . 0 0 "[ . 1 . 2]" 1
1351 1 101 LYS HA 1 104 ASN H . . 4.620 4.048 3.929 4.176 . 0 0 "[ . 1 . 2]" 1
1352 1 101 LYS HA 1 104 ASN HB3 . . 4.440 4.327 3.908 4.493 0.053 18 0 "[ . 1 . 2]" 1
1353 1 101 LYS HB2 1 102 LEU H . . 5.500 2.425 2.249 2.572 . 0 0 "[ . 1 . 2]" 1
1354 1 101 LYS HB2 1 102 LEU HB3 . . 5.500 5.555 5.349 5.693 0.193 9 0 "[ . 1 . 2]" 1
1355 1 101 LYS HB2 1 103 MET H . . 5.500 4.627 4.498 4.709 . 0 0 "[ . 1 . 2]" 1
1356 1 101 LYS HB3 1 102 LEU H . . 5.500 3.730 3.637 3.843 . 0 0 "[ . 1 . 2]" 1
1357 1 101 LYS HD2 1 102 LEU H . . 5.500 5.334 4.948 5.543 0.043 8 0 "[ . 1 . 2]" 1
1358 1 101 LYS HD3 1 102 LEU H . . 5.500 5.313 4.842 5.598 0.098 20 0 "[ . 1 . 2]" 1
1359 1 101 LYS HG2 1 102 LEU H . . 4.800 4.080 3.691 4.557 . 0 0 "[ . 1 . 2]" 1
1360 1 101 LYS HG2 1 103 MET H . . 5.500 5.563 5.442 5.688 0.188 18 0 "[ . 1 . 2]" 1
1361 1 101 LYS HG3 1 102 LEU H . . 4.660 4.263 3.442 4.703 0.043 2 0 "[ . 1 . 2]" 1
1362 1 102 LEU H 1 102 LEU HB2 . . 3.130 2.306 2.091 2.673 . 0 0 "[ . 1 . 2]" 1
1363 1 102 LEU H 1 102 LEU HB3 . . 3.460 3.506 3.408 3.590 0.130 6 0 "[ . 1 . 2]" 1
1364 1 102 LEU H 1 102 LEU MD1 . . 3.890 3.730 3.479 3.884 . 0 0 "[ . 1 . 2]" 1
1365 1 102 LEU H 1 102 LEU MD2 . . 4.110 3.612 2.875 4.077 . 0 0 "[ . 1 . 2]" 1
1366 1 102 LEU H 1 102 LEU HG . . 3.370 2.686 1.980 3.216 . 0 0 "[ . 1 . 2]" 1
1367 1 102 LEU H 1 103 MET H . . 3.520 2.673 2.565 2.750 . 0 0 "[ . 1 . 2]" 1
1368 1 102 LEU H 1 105 GLN HB2 . . 5.500 4.668 4.563 4.855 . 0 0 "[ . 1 . 2]" 1
1369 1 102 LEU HA 1 102 LEU MD1 . . 3.890 3.826 3.786 3.919 0.029 20 0 "[ . 1 . 2]" 1
1370 1 102 LEU HA 1 102 LEU MD2 . . 3.180 2.000 1.950 2.177 . 0 0 "[ . 1 . 2]" 1
1371 1 102 LEU HA 1 102 LEU HG . . 3.710 2.912 2.580 3.275 . 0 0 "[ . 1 . 2]" 1
1372 1 102 LEU HA 1 103 MET H . . 4.460 3.438 3.396 3.504 . 0 0 "[ . 1 . 2]" 1
1373 1 102 LEU HA 1 104 ASN H . . 5.500 4.846 4.759 4.953 . 0 0 "[ . 1 . 2]" 1
1374 1 102 LEU HA 1 105 GLN H . . 3.760 3.351 3.270 3.460 . 0 0 "[ . 1 . 2]" 1
1375 1 102 LEU HA 1 105 GLN HB2 . . 4.570 2.077 1.986 2.262 . 0 0 "[ . 1 . 2]" 1
1376 1 102 LEU HA 1 105 GLN HG3 . . 4.640 3.127 2.927 3.298 . 0 0 "[ . 1 . 2]" 1
1377 1 102 LEU HA 1 106 TYR QE . . 5.500 4.300 3.984 4.568 . 0 0 "[ . 1 . 2]" 1
1378 1 102 LEU HB2 1 102 LEU MD1 . . 3.250 2.256 2.160 2.426 . 0 0 "[ . 1 . 2]" 1
1379 1 102 LEU HB2 1 102 LEU MD2 . . 3.480 3.182 3.177 3.195 . 0 0 "[ . 1 . 2]" 1
1380 1 102 LEU HB2 1 102 LEU HG . . 3.140 2.456 2.405 2.499 . 0 0 "[ . 1 . 2]" 1
1381 1 102 LEU HB2 1 103 MET H . . 3.630 3.165 2.947 3.389 . 0 0 "[ . 1 . 2]" 1
1382 1 102 LEU HB2 1 106 TYR QE . . 4.320 4.016 2.910 4.484 0.164 15 0 "[ . 1 . 2]" 1
1383 1 102 LEU HB3 1 102 LEU MD1 . . 3.240 2.415 2.274 2.490 . 0 0 "[ . 1 . 2]" 1
1384 1 102 LEU HB3 1 102 LEU MD2 . . 3.350 2.372 2.322 2.418 . 0 0 "[ . 1 . 2]" 1
1385 1 102 LEU HB3 1 102 LEU HG . . 3.010 3.017 3.015 3.019 0.009 17 0 "[ . 1 . 2]" 1
1386 1 102 LEU HB3 1 103 MET H . . 4.280 3.764 3.466 4.098 . 0 0 "[ . 1 . 2]" 1
1387 1 102 LEU HB3 1 105 GLN HB3 . . 5.500 4.256 3.829 4.632 . 0 0 "[ . 1 . 2]" 1
1388 1 102 LEU HB3 1 106 TYR QE . . 4.770 2.666 2.003 3.167 . 0 0 "[ . 1 . 2]" 1
1389 1 102 LEU MD1 1 102 LEU MD2 . . 2.400 1.988 1.901 2.090 . 0 0 "[ . 1 . 2]" 1
1390 1 102 LEU MD1 1 105 GLN HG3 . . 5.500 5.250 4.958 5.529 0.029 14 0 "[ . 1 . 2]" 1
1391 1 102 LEU MD1 1 106 TYR QE . . 4.000 3.146 2.890 3.450 . 0 0 "[ . 1 . 2]" 1
1392 1 102 LEU MD2 1 103 MET H . . 4.530 4.643 4.582 4.722 0.192 20 0 "[ . 1 . 2]" 1
1393 1 102 LEU MD2 1 105 GLN H . . 5.500 4.527 4.154 4.882 . 0 0 "[ . 1 . 2]" 1
1394 1 102 LEU MD2 1 105 GLN HB2 . . 4.790 2.907 2.523 3.465 . 0 0 "[ . 1 . 2]" 1
1395 1 102 LEU MD2 1 105 GLN HG3 . . 5.500 2.721 2.340 3.221 . 0 0 "[ . 1 . 2]" 1
1396 1 102 LEU MD2 1 106 TYR H . . 5.500 4.901 4.026 5.575 0.075 6 0 "[ . 1 . 2]" 1
1397 1 102 LEU MD2 1 106 TYR QD . . 5.500 3.968 2.996 4.806 . 0 0 "[ . 1 . 2]" 1
1398 1 102 LEU MD2 1 106 TYR QE . . 3.750 2.890 2.357 3.793 0.043 18 0 "[ . 1 . 2]" 1
1399 1 102 LEU HG 1 106 TYR QE . . 4.930 4.895 4.649 5.052 0.122 5 0 "[ . 1 . 2]" 1
1400 1 103 MET H 1 104 ASN H . . 3.470 3.059 2.957 3.101 . 0 0 "[ . 1 . 2]" 1
1401 1 103 MET H 1 105 GLN H . . 5.500 3.885 3.801 3.925 . 0 0 "[ . 1 . 2]" 1
1402 1 103 MET H 1 106 TYR QE . . 5.500 4.569 4.331 4.858 . 0 0 "[ . 1 . 2]" 1
1403 1 104 ASN H 1 104 ASN HB2 . . 3.060 2.572 2.542 2.610 . 0 0 "[ . 1 . 2]" 1
1404 1 104 ASN H 1 104 ASN HB3 . . 3.160 2.491 2.453 2.526 . 0 0 "[ . 1 . 2]" 1
1405 1 104 ASN H 1 104 ASN HD21 . . 5.170 4.442 4.410 4.482 . 0 0 "[ . 1 . 2]" 1
1406 1 104 ASN H 1 105 GLN H . . 3.360 2.730 2.689 2.779 . 0 0 "[ . 1 . 2]" 1
1407 1 104 ASN H 1 105 GLN HB2 . . 5.500 4.531 4.490 4.582 . 0 0 "[ . 1 . 2]" 1
1408 1 104 ASN H 1 106 TYR H . . 4.960 4.590 4.494 4.681 . 0 0 "[ . 1 . 2]" 1
1409 1 104 ASN H 1 107 ARG HB3 . . 4.460 4.365 3.777 4.607 0.147 18 0 "[ . 1 . 2]" 1
1410 1 104 ASN HA 1 105 GLN H . . 4.320 3.491 3.481 3.502 . 0 0 "[ . 1 . 2]" 1
1411 1 104 ASN HA 1 106 TYR H . . 5.500 4.246 4.045 4.397 . 0 0 "[ . 1 . 2]" 1
1412 1 104 ASN HA 1 107 ARG H . . 4.540 3.113 2.974 3.225 . 0 0 "[ . 1 . 2]" 1
1413 1 104 ASN HA 1 107 ARG HA . . 5.500 4.438 4.350 4.533 . 0 0 "[ . 1 . 2]" 1
1414 1 104 ASN HA 1 107 ARG HB2 . . 3.790 2.659 2.249 3.494 . 0 0 "[ . 1 . 2]" 1
1415 1 104 ASN HA 1 107 ARG HB3 . . 4.030 1.983 1.936 2.033 . 0 0 "[ . 1 . 2]" 1
1416 1 104 ASN HA 1 107 ARG HD3 . . 4.370 4.058 3.836 4.303 . 0 0 "[ . 1 . 2]" 1
1417 1 104 ASN HA 1 107 ARG HG3 . . 3.750 3.551 3.054 3.802 0.052 17 0 "[ . 1 . 2]" 1
1418 1 104 ASN HB2 1 105 GLN H . . 4.020 4.070 4.041 4.098 0.078 12 0 "[ . 1 . 2]" 1
1419 1 104 ASN HB2 1 107 ARG HB2 . . 5.500 4.747 4.423 5.447 . 0 0 "[ . 1 . 2]" 1
1420 1 104 ASN HB2 1 107 ARG HB3 . . 5.500 4.248 4.197 4.305 . 0 0 "[ . 1 . 2]" 1
1421 1 104 ASN HB2 1 107 ARG HG3 . . 5.500 5.238 5.077 5.329 . 0 0 "[ . 1 . 2]" 1
1422 1 104 ASN HB3 1 105 GLN H . . 3.630 2.872 2.820 2.917 . 0 0 "[ . 1 . 2]" 1
1423 1 104 ASN HB3 1 105 GLN HA . . 4.360 4.316 4.292 4.343 . 0 0 "[ . 1 . 2]" 1
1424 1 104 ASN HB3 1 105 GLN HB2 . . 5.500 4.653 4.584 4.719 . 0 0 "[ . 1 . 2]" 1
1425 1 104 ASN HD21 1 105 GLN H . . 4.970 3.353 3.323 3.387 . 0 0 "[ . 1 . 2]" 1
1426 1 104 ASN HD22 1 105 GLN H . . 4.920 4.938 4.884 4.962 0.042 12 0 "[ . 1 . 2]" 1
1427 1 104 ASN HD22 1 105 GLN HA . . 4.950 4.196 4.153 4.214 . 0 0 "[ . 1 . 2]" 1
1428 1 105 GLN H 1 105 GLN HB2 . . 3.340 2.068 2.063 2.072 . 0 0 "[ . 1 . 2]" 1
1429 1 105 GLN H 1 105 GLN HB3 . . 3.340 3.226 3.209 3.254 . 0 0 "[ . 1 . 2]" 1
1430 1 105 GLN H 1 105 GLN HG2 . . 3.690 3.688 3.603 3.735 0.045 15 0 "[ . 1 . 2]" 1
1431 1 105 GLN H 1 105 GLN HG3 . . 4.240 4.183 4.047 4.244 0.004 9 0 "[ . 1 . 2]" 1
1432 1 105 GLN H 1 106 TYR H . . 3.270 2.867 2.813 2.908 . 0 0 "[ . 1 . 2]" 1
1433 1 105 GLN H 1 107 ARG H . . 5.500 4.063 3.898 4.212 . 0 0 "[ . 1 . 2]" 1
1434 1 105 GLN HA 1 105 GLN HB2 . . 3.100 2.798 2.785 2.816 . 0 0 "[ . 1 . 2]" 1
1435 1 105 GLN HA 1 105 GLN HB3 . . 2.990 2.895 2.879 2.905 . 0 0 "[ . 1 . 2]" 1
1436 1 105 GLN HA 1 105 GLN HG2 . . 3.660 2.236 2.122 2.353 . 0 0 "[ . 1 . 2]" 1
1437 1 105 GLN HA 1 105 GLN HG3 . . 3.570 3.524 3.463 3.563 . 0 0 "[ . 1 . 2]" 1
1438 1 105 GLN HA 1 106 TYR H . . 3.860 3.550 3.533 3.558 . 0 0 "[ . 1 . 2]" 1
1439 1 105 GLN HB2 1 105 GLN HG2 . . 2.990 2.569 2.499 2.659 . 0 0 "[ . 1 . 2]" 1
1440 1 105 GLN HB2 1 105 GLN HG3 . . 2.640 2.312 2.256 2.364 . 0 0 "[ . 1 . 2]" 1
1441 1 105 GLN HB2 1 106 TYR H . . 4.080 3.207 3.128 3.315 . 0 0 "[ . 1 . 2]" 1
1442 1 105 GLN HB2 1 106 TYR QD . . 4.950 4.413 4.145 4.579 . 0 0 "[ . 1 . 2]" 1
1443 1 105 GLN HB3 1 105 GLN HG3 . . 2.860 2.561 2.492 2.652 . 0 0 "[ . 1 . 2]" 1
1444 1 105 GLN HB3 1 106 TYR H . . 3.780 2.696 2.613 2.831 . 0 0 "[ . 1 . 2]" 1
1445 1 105 GLN HB3 1 106 TYR QD . . 4.170 3.075 2.652 3.330 . 0 0 "[ . 1 . 2]" 1
1446 1 105 GLN HB3 1 106 TYR QE . . 4.580 3.927 3.435 4.427 . 0 0 "[ . 1 . 2]" 1
1447 1 105 GLN HE22 1 106 TYR H . . 5.500 5.471 5.384 5.532 0.032 14 0 "[ . 1 . 2]" 1
1448 1 105 GLN HG3 1 106 TYR H . . 5.150 5.061 4.989 5.180 0.030 14 0 "[ . 1 . 2]" 1
1449 1 106 TYR H 1 106 TYR HB2 . . 3.930 3.691 3.622 3.741 . 0 0 "[ . 1 . 2]" 1
1450 1 106 TYR H 1 106 TYR HB3 . . 3.520 3.388 3.217 3.513 . 0 0 "[ . 1 . 2]" 1
1451 1 106 TYR H 1 106 TYR QD . . 3.890 2.891 2.573 3.008 . 0 0 "[ . 1 . 2]" 1
1452 1 106 TYR H 1 106 TYR QE . . 4.450 4.008 3.897 4.040 . 0 0 "[ . 1 . 2]" 1
1453 1 106 TYR H 1 107 ARG H . . 3.500 2.542 2.412 2.616 . 0 0 "[ . 1 . 2]" 1
1454 1 106 TYR H 1 107 ARG HB2 . . 5.500 4.570 4.170 5.578 0.078 10 0 "[ . 1 . 2]" 1
1455 1 106 TYR H 1 107 ARG HB3 . . 4.840 4.325 3.844 4.529 . 0 0 "[ . 1 . 2]" 1
1456 1 106 TYR HA 1 106 TYR QD . . 3.800 3.693 3.653 3.705 . 0 0 "[ . 1 . 2]" 1
1457 1 106 TYR HA 1 107 ARG H . . 4.590 2.878 2.794 2.977 . 0 0 "[ . 1 . 2]" 1
1458 1 106 TYR HA 1 107 ARG HA . . 5.500 4.649 4.621 4.688 . 0 0 "[ . 1 . 2]" 1
1459 1 106 TYR HB2 1 106 TYR QE . . 4.510 4.476 4.450 4.496 . 0 0 "[ . 1 . 2]" 1
1460 1 106 TYR HB2 1 109 ILE MD . . 4.080 2.762 2.019 2.907 . 0 0 "[ . 1 . 2]" 1
1461 1 106 TYR HB3 1 106 TYR QE . . 4.430 4.386 4.384 4.393 . 0 0 "[ . 1 . 2]" 1
1462 1 106 TYR HB3 1 107 ARG H . . 5.500 4.655 4.625 4.667 . 0 0 "[ . 1 . 2]" 1
1463 1 106 TYR HB3 1 109 ILE MD . . 4.190 4.187 3.350 4.331 0.141 10 0 "[ . 1 . 2]" 1
1464 1 106 TYR QD 1 107 ARG H . . 4.840 3.825 3.585 4.171 . 0 0 "[ . 1 . 2]" 1
1465 1 106 TYR QD 1 109 ILE MD . . 3.730 3.709 3.560 3.779 0.049 15 0 "[ . 1 . 2]" 1
1466 1 106 TYR QD 1 109 ILE HG13 . . 5.500 5.436 4.883 5.544 0.044 4 0 "[ . 1 . 2]" 1
1467 1 107 ARG H 1 107 ARG HB2 . . 3.620 3.052 2.828 3.615 . 0 0 "[ . 1 . 2]" 1
1468 1 107 ARG H 1 107 ARG HB3 . . 3.350 2.347 2.237 2.501 . 0 0 "[ . 1 . 2]" 1
1469 1 107 ARG H 1 107 ARG HD2 . . 4.920 4.681 4.335 4.901 . 0 0 "[ . 1 . 2]" 1
1470 1 107 ARG H 1 107 ARG HD3 . . 5.500 4.388 3.834 5.124 . 0 0 "[ . 1 . 2]" 1
1471 1 107 ARG H 1 107 ARG HG2 . . 4.480 4.116 3.246 4.402 . 0 0 "[ . 1 . 2]" 1
1472 1 107 ARG H 1 107 ARG HG3 . . 4.920 4.139 2.345 4.713 . 0 0 "[ . 1 . 2]" 1
1473 1 107 ARG H 1 108 GLY H . . 4.570 4.346 2.596 4.616 0.046 10 0 "[ . 1 . 2]" 1
1474 1 107 ARG HA 1 107 ARG HD2 . . 5.500 4.576 3.738 4.899 . 0 0 "[ . 1 . 2]" 1
1475 1 107 ARG HA 1 107 ARG HD3 . . 5.030 4.211 4.006 5.000 . 0 0 "[ . 1 . 2]" 1
1476 1 107 ARG HA 1 107 ARG HG2 . . 4.490 3.040 2.618 4.231 . 0 0 "[ . 1 . 2]" 1
1477 1 107 ARG HA 1 107 ARG HG3 . . 3.760 3.500 3.352 3.629 . 0 0 "[ . 1 . 2]" 1
1478 1 107 ARG HA 1 108 GLY H . . 3.170 2.298 2.151 3.200 0.030 15 0 "[ . 1 . 2]" 1
1479 1 107 ARG HA 1 108 GLY HA2 . . 5.500 4.497 4.418 4.756 . 0 0 "[ . 1 . 2]" 1
1480 1 107 ARG HA 1 109 ILE H . . 4.620 3.534 3.152 3.917 . 0 0 "[ . 1 . 2]" 1
1481 1 107 ARG HA 1 110 TYR H . . 5.500 3.803 2.950 3.948 . 0 0 "[ . 1 . 2]" 1
1482 1 107 ARG HA 1 110 TYR QE . . 5.500 2.702 2.305 3.069 . 0 0 "[ . 1 . 2]" 1
1483 1 107 ARG HB2 1 107 ARG HD2 . . 4.380 3.186 2.035 3.635 . 0 0 "[ . 1 . 2]" 1
1484 1 107 ARG HB2 1 107 ARG HD3 . . 4.090 3.330 2.009 3.781 . 0 0 "[ . 1 . 2]" 1
1485 1 107 ARG HB2 1 108 GLY H . . 4.920 3.900 2.493 4.505 . 0 0 "[ . 1 . 2]" 1
1486 1 107 ARG HB3 1 107 ARG HD2 . . 4.170 2.789 2.235 3.985 . 0 0 "[ . 1 . 2]" 1
1487 1 107 ARG HB3 1 107 ARG HD3 . . 4.180 2.676 2.225 3.713 . 0 0 "[ . 1 . 2]" 1
1488 1 107 ARG HB3 1 108 GLY H . . 4.570 4.244 3.873 4.322 . 0 0 "[ . 1 . 2]" 1
1489 1 107 ARG HB3 1 108 GLY HA2 . . 5.500 5.287 5.116 5.715 0.215 16 0 "[ . 1 . 2]" 1
1490 1 107 ARG HG2 1 108 GLY H . . 4.690 3.085 2.454 4.727 0.037 6 0 "[ . 1 . 2]" 1
1491 1 107 ARG HG3 1 108 GLY H . . 4.090 4.029 3.114 4.153 0.063 18 0 "[ . 1 . 2]" 1
1492 1 108 GLY H 1 109 ILE H . . 3.840 2.142 1.887 3.092 . 0 0 "[ . 1 . 2]" 1
1493 1 108 GLY H 1 109 ILE HA . . 5.500 4.613 4.442 5.208 . 0 0 "[ . 1 . 2]" 1
1494 1 108 GLY H 1 109 ILE MD . . 5.500 3.290 2.829 4.173 . 0 0 "[ . 1 . 2]" 1
1495 1 108 GLY H 1 109 ILE MG . . 5.060 4.612 4.446 5.163 0.103 10 0 "[ . 1 . 2]" 1
1496 1 108 GLY H 1 110 TYR H . . 4.350 2.899 2.658 4.237 . 0 0 "[ . 1 . 2]" 1
1497 1 108 GLY HA2 1 109 ILE H . . 4.840 3.452 3.331 3.568 . 0 0 "[ . 1 . 2]" 1
1498 1 108 GLY HA2 1 109 ILE MD . . 5.500 4.401 4.140 4.866 . 0 0 "[ . 1 . 2]" 1
1499 1 108 GLY HA2 1 109 ILE MG . . 5.500 4.803 4.685 5.036 . 0 0 "[ . 1 . 2]" 1
1500 1 108 GLY HA3 1 109 ILE H . . 4.670 3.011 2.628 3.219 . 0 0 "[ . 1 . 2]" 1
1501 1 108 GLY HA3 1 109 ILE HA . . 5.500 4.418 4.307 4.485 . 0 0 "[ . 1 . 2]" 1
1502 1 108 GLY HA3 1 109 ILE MG . . 5.500 3.860 3.790 4.054 . 0 0 "[ . 1 . 2]" 1
1503 1 108 GLY HA3 1 110 TYR H . . 5.500 4.852 4.429 5.159 . 0 0 "[ . 1 . 2]" 1
1504 1 109 ILE H 1 109 ILE HB . . 3.620 3.640 3.596 3.670 0.050 5 0 "[ . 1 . 2]" 1
1505 1 109 ILE H 1 109 ILE MD . . 4.790 1.952 1.886 2.224 . 0 0 "[ . 1 . 2]" 1
1506 1 109 ILE H 1 109 ILE HG12 . . 4.010 2.100 1.919 2.247 . 0 0 "[ . 1 . 2]" 1
1507 1 109 ILE H 1 109 ILE HG13 . . 4.060 3.541 3.500 3.585 . 0 0 "[ . 1 . 2]" 1
1508 1 109 ILE H 1 109 ILE MG . . 3.690 2.936 2.467 3.286 . 0 0 "[ . 1 . 2]" 1
1509 1 109 ILE H 1 110 TYR H . . 3.130 2.111 1.973 2.546 . 0 0 "[ . 1 . 2]" 1
1510 1 109 ILE HA 1 109 ILE MD . . 3.700 3.522 3.382 3.684 . 0 0 "[ . 1 . 2]" 1
1511 1 109 ILE HA 1 109 ILE HG12 . . 4.070 3.575 3.540 3.585 . 0 0 "[ . 1 . 2]" 1
1512 1 109 ILE HA 1 109 ILE HG13 . . 4.170 4.222 4.186 4.230 0.060 5 0 "[ . 1 . 2]" 1
1513 1 109 ILE HA 1 109 ILE MG . . 3.300 2.277 2.208 2.314 . 0 0 "[ . 1 . 2]" 1
1514 1 109 ILE HA 1 110 TYR H . . 4.040 3.505 3.474 3.534 . 0 0 "[ . 1 . 2]" 1
1515 1 109 ILE HB 1 109 ILE MD . . 3.360 3.155 3.104 3.170 . 0 0 "[ . 1 . 2]" 1
1516 1 109 ILE HB 1 110 TYR H . . 3.990 3.630 3.348 3.834 . 0 0 "[ . 1 . 2]" 1
1517 1 109 ILE MD 1 109 ILE MG . . 2.970 1.819 1.766 1.841 . 0 0 "[ . 1 . 2]" 1
1518 1 109 ILE MD 1 110 TYR H . . 4.410 3.339 3.279 3.479 . 0 0 "[ . 1 . 2]" 1
1519 1 109 ILE MD 1 110 TYR HB3 . . 5.500 4.560 4.362 4.875 . 0 0 "[ . 1 . 2]" 1
1520 1 109 ILE HG12 1 109 ILE MG . . 3.540 3.133 3.081 3.147 . 0 0 "[ . 1 . 2]" 1
1521 1 109 ILE HG12 1 110 TYR H . . 4.490 1.948 1.926 2.021 . 0 0 "[ . 1 . 2]" 1
1522 1 109 ILE HG13 1 109 ILE MG . . 3.110 2.640 2.603 2.757 . 0 0 "[ . 1 . 2]" 1
1523 1 109 ILE HG13 1 110 TYR H . . 4.770 3.602 3.467 3.670 . 0 0 "[ . 1 . 2]" 1
1524 1 109 ILE HG13 1 110 TYR QD . . 4.200 3.566 3.100 3.901 . 0 0 "[ . 1 . 2]" 1
1525 1 109 ILE MG 1 110 TYR H . . 4.590 4.109 4.079 4.132 . 0 0 "[ . 1 . 2]" 1
1526 1 110 TYR H 1 110 TYR HB2 . . 4.290 3.796 3.740 3.849 . 0 0 "[ . 1 . 2]" 1
1527 1 110 TYR H 1 110 TYR HB3 . . 4.290 2.803 2.740 2.905 . 0 0 "[ . 1 . 2]" 1
1528 1 110 TYR H 1 110 TYR QD . . 3.610 2.129 1.949 2.438 . 0 0 "[ . 1 . 2]" 1
1529 1 110 TYR H 1 110 TYR QE . . 4.260 4.196 3.973 4.307 0.047 10 0 "[ . 1 . 2]" 1
1530 1 110 TYR H 1 111 SER H . . 5.120 4.446 4.424 4.504 . 0 0 "[ . 1 . 2]" 1
1531 1 110 TYR HA 1 111 SER H . . 3.210 2.556 2.450 2.568 . 0 0 "[ . 1 . 2]" 1
1532 1 110 TYR HB2 1 111 SER H . . 3.680 2.342 2.216 2.445 . 0 0 "[ . 1 . 2]" 1
1533 1 110 TYR HB3 1 111 SER H . . 3.930 3.765 3.700 3.856 . 0 0 "[ . 1 . 2]" 1
1534 1 110 TYR QD 1 111 SER H . . 5.000 2.619 2.359 2.846 . 0 0 "[ . 1 . 2]" 1
1535 1 111 SER HA 1 112 PHE H . . 3.200 2.307 2.154 2.405 . 0 0 "[ . 1 . 2]" 1
1536 1 111 SER HB2 1 112 PHE H . . 3.510 3.327 2.841 3.600 0.090 19 0 "[ . 1 . 2]" 1
1537 1 111 SER HB3 1 112 PHE H . . 3.790 3.186 2.599 3.892 0.102 8 0 "[ . 1 . 2]" 1
1538 1 112 PHE H 1 112 PHE QD . . 4.270 4.245 3.621 4.435 0.165 9 0 "[ . 1 . 2]" 1
1539 1 112 PHE H 1 113 GLU H . . 4.830 4.317 3.992 4.414 . 0 0 "[ . 1 . 2]" 1
1540 1 112 PHE HA 1 112 PHE QD . . 4.110 2.608 2.062 3.006 . 0 0 "[ . 1 . 2]" 1
1541 1 112 PHE HA 1 113 GLU H . . 3.360 2.416 2.145 2.511 . 0 0 "[ . 1 . 2]" 1
1542 1 112 PHE HA 1 113 GLU HB2 . . 4.370 4.317 4.169 4.467 0.097 5 0 "[ . 1 . 2]" 1
1543 1 112 PHE HB2 1 113 GLU H . . 5.500 3.970 3.682 4.495 . 0 0 "[ . 1 . 2]" 1
1544 1 112 PHE HB3 1 113 GLU H . . 5.500 2.665 2.246 3.621 . 0 0 "[ . 1 . 2]" 1
1545 1 112 PHE QD 1 113 GLU H . . 5.060 2.362 1.908 3.155 . 0 0 "[ . 1 . 2]" 1
1546 1 112 PHE QD 1 113 GLU HB2 . . 4.320 3.789 3.333 4.214 . 0 0 "[ . 1 . 2]" 1
1547 1 113 GLU H 1 113 GLU HB2 . . 4.200 2.175 2.062 2.612 . 0 0 "[ . 1 . 2]" 1
1548 1 113 GLU H 1 113 GLU HG2 . . 5.500 4.453 3.731 4.732 . 0 0 "[ . 1 . 2]" 1
1549 1 113 GLU H 1 113 GLU HG3 . . 5.330 3.967 2.715 4.524 . 0 0 "[ . 1 . 2]" 1
1550 1 113 GLU H 1 114 LYS H . . 5.500 4.563 4.449 4.647 . 0 0 "[ . 1 . 2]" 1
1551 1 113 GLU H 1 115 VAL MG1 . . 5.500 4.611 3.768 5.513 0.013 4 0 "[ . 1 . 2]" 1
1552 1 113 GLU H 1 115 VAL MG2 . . 5.500 5.369 4.576 5.639 0.139 20 0 "[ . 1 . 2]" 1
1553 1 113 GLU HA 1 113 GLU HG2 . . 3.550 2.877 2.048 3.545 . 0 0 "[ . 1 . 2]" 1
1554 1 113 GLU HA 1 113 GLU HG3 . . 3.540 2.424 2.028 3.374 . 0 0 "[ . 1 . 2]" 1
1555 1 113 GLU HA 1 114 LYS H . . 3.080 2.494 2.253 2.712 . 0 0 "[ . 1 . 2]" 1
1556 1 113 GLU HB2 1 114 LYS H . . 4.460 3.873 3.476 4.254 . 0 0 "[ . 1 . 2]" 1
1557 1 113 GLU HB3 1 114 LYS H . . 5.010 2.701 2.013 3.727 . 0 0 "[ . 1 . 2]" 1
1558 1 113 GLU HG2 1 114 LYS H . . 4.110 2.815 2.185 4.007 . 0 0 "[ . 1 . 2]" 1
1559 1 113 GLU HG3 1 114 LYS H . . 4.280 3.248 2.216 4.234 . 0 0 "[ . 1 . 2]" 1
1560 1 114 LYS H 1 114 LYS HB2 . . 3.470 2.354 2.063 2.921 . 0 0 "[ . 1 . 2]" 1
1561 1 114 LYS H 1 114 LYS HB3 . . 3.380 2.810 2.386 3.334 . 0 0 "[ . 1 . 2]" 1
1562 1 114 LYS H 1 114 LYS HG2 . . 4.590 4.487 4.277 4.585 . 0 0 "[ . 1 . 2]" 1
1563 1 114 LYS H 1 114 LYS HG3 . . 5.000 4.167 3.545 4.483 . 0 0 "[ . 1 . 2]" 1
1564 1 114 LYS H 1 115 VAL H . . 5.500 4.374 3.610 4.646 . 0 0 "[ . 1 . 2]" 1
1565 1 114 LYS HA 1 114 LYS HD2 . . 5.500 4.211 3.536 4.620 . 0 0 "[ . 1 . 2]" 1
1566 1 114 LYS HA 1 114 LYS HD3 . . 5.500 4.285 3.155 4.753 . 0 0 "[ . 1 . 2]" 1
1567 1 114 LYS HA 1 114 LYS HG2 . . 4.100 3.093 2.211 3.676 . 0 0 "[ . 1 . 2]" 1
1568 1 114 LYS HA 1 114 LYS HG3 . . 3.540 2.449 2.084 3.217 . 0 0 "[ . 1 . 2]" 1
1569 1 114 LYS HA 1 115 VAL H . . 3.240 2.259 2.140 2.550 . 0 0 "[ . 1 . 2]" 1
1570 1 114 LYS HA 1 115 VAL MG1 . . 5.500 4.331 4.125 4.656 . 0 0 "[ . 1 . 2]" 1
1571 1 114 LYS HA 1 115 VAL MG2 . . 5.500 3.578 3.094 5.473 . 0 0 "[ . 1 . 2]" 1
1572 1 114 LYS HB2 1 114 LYS HE2 . . 5.500 4.150 2.694 5.232 . 0 0 "[ . 1 . 2]" 1
1573 1 114 LYS HB2 1 114 LYS HE3 . . 5.500 3.990 2.685 4.683 . 0 0 "[ . 1 . 2]" 1
1574 1 114 LYS HB3 1 114 LYS HE2 . . 5.500 4.208 2.386 5.043 . 0 0 "[ . 1 . 2]" 1
1575 1 114 LYS HB3 1 114 LYS HE3 . . 5.500 3.966 2.202 4.951 . 0 0 "[ . 1 . 2]" 1
1576 1 114 LYS HB3 1 115 VAL H . . 4.570 3.972 3.099 4.488 . 0 0 "[ . 1 . 2]" 1
1577 1 114 LYS HG2 1 115 VAL H . . 5.040 3.565 1.958 5.023 . 0 0 "[ . 1 . 2]" 1
1578 1 114 LYS HG3 1 115 VAL H . . 4.360 3.542 2.522 4.349 . 0 0 "[ . 1 . 2]" 1
1579 1 115 VAL H 1 115 VAL HB . . 3.730 3.525 2.691 3.767 0.037 10 0 "[ . 1 . 2]" 1
1580 1 115 VAL H 1 115 VAL MG1 . . 3.560 3.062 2.279 3.644 0.084 11 0 "[ . 1 . 2]" 1
1581 1 115 VAL H 1 115 VAL MG2 . . 4.200 2.198 1.876 3.888 . 0 0 "[ . 1 . 2]" 1
1582 1 115 VAL HA 1 115 VAL MG1 . . 3.290 2.296 2.048 3.180 . 0 0 "[ . 1 . 2]" 1
1583 1 115 VAL HA 1 116 LYS H . . 3.270 2.269 2.139 3.569 0.299 15 0 "[ . 1 . 2]" 1
1584 1 115 VAL HB 1 116 LYS H . . 4.070 3.328 2.622 4.127 0.057 20 0 "[ . 1 . 2]" 1
1585 1 115 VAL MG1 1 115 VAL MG2 . . 2.400 2.069 1.964 2.095 . 0 0 "[ . 1 . 2]" 1
1586 1 115 VAL MG1 1 116 LYS H . . 3.930 3.569 3.083 3.974 0.044 15 0 "[ . 1 . 2]" 1
1587 1 115 VAL MG2 1 116 LYS H . . 4.800 3.857 1.964 4.399 . 0 0 "[ . 1 . 2]" 1
1588 1 116 LYS H 1 116 LYS HB2 . . 3.960 2.494 2.162 3.683 . 0 0 "[ . 1 . 2]" 1
1589 1 116 LYS H 1 116 LYS HB3 . . 3.900 3.646 3.416 3.953 0.053 15 0 "[ . 1 . 2]" 1
1590 1 116 LYS H 1 116 LYS HD2 . . 5.500 5.010 3.274 5.509 0.009 7 0 "[ . 1 . 2]" 1
1591 1 116 LYS H 1 116 LYS HD3 . . 5.500 5.153 3.097 5.508 0.008 7 0 "[ . 1 . 2]" 1
1592 1 116 LYS H 1 116 LYS HG2 . . 4.240 3.492 2.741 4.251 0.011 11 0 "[ . 1 . 2]" 1
1593 1 116 LYS H 1 116 LYS HG3 . . 4.220 3.710 3.073 4.248 0.028 15 0 "[ . 1 . 2]" 1
1594 1 116 LYS H 1 117 ALA H . . 4.820 2.876 2.399 4.632 . 0 0 "[ . 1 . 2]" 1
1595 1 116 LYS HA 1 116 LYS HD2 . . 5.500 3.631 2.101 4.491 . 0 0 "[ . 1 . 2]" 1
1596 1 116 LYS HA 1 116 LYS HD3 . . 5.500 3.437 2.439 4.478 . 0 0 "[ . 1 . 2]" 1
1597 1 116 LYS HA 1 116 LYS HG3 . . 4.260 3.490 2.773 3.867 . 0 0 "[ . 1 . 2]" 1
1598 1 116 LYS HA 1 117 ALA H . . 3.780 3.507 2.737 3.571 . 0 0 "[ . 1 . 2]" 1
1599 1 116 LYS HA 1 117 ALA MB . . 4.240 4.003 3.862 4.129 . 0 0 "[ . 1 . 2]" 1
1600 1 116 LYS HB2 1 116 LYS HE2 . . 5.500 4.342 2.605 5.296 . 0 0 "[ . 1 . 2]" 1
1601 1 116 LYS HB2 1 116 LYS HE3 . . 5.500 4.254 2.779 4.844 . 0 0 "[ . 1 . 2]" 1
1602 1 116 LYS HB2 1 117 ALA H . . 4.660 2.172 1.946 2.714 . 0 0 "[ . 1 . 2]" 1
1603 1 116 LYS HB2 1 117 ALA HA . . 5.090 4.800 4.514 5.023 . 0 0 "[ . 1 . 2]" 1
1604 1 116 LYS HB2 1 117 ALA MB . . 4.620 4.200 3.898 4.583 . 0 0 "[ . 1 . 2]" 1
1605 1 116 LYS HB3 1 116 LYS HE2 . . 5.500 4.085 2.371 4.601 . 0 0 "[ . 1 . 2]" 1
1606 1 116 LYS HB3 1 116 LYS HE3 . . 5.500 3.915 2.918 4.717 . 0 0 "[ . 1 . 2]" 1
1607 1 116 LYS HB3 1 117 ALA MB . . 5.500 3.357 3.245 4.048 . 0 0 "[ . 1 . 2]" 1
1608 1 116 LYS HD2 1 117 ALA MB . . 5.500 4.872 4.383 5.414 . 0 0 "[ . 1 . 2]" 1
1609 1 116 LYS HG2 1 117 ALA H . . 5.500 4.495 4.200 4.643 . 0 0 "[ . 1 . 2]" 1
1610 1 116 LYS HG3 1 117 ALA H . . 4.790 4.337 4.132 4.524 . 0 0 "[ . 1 . 2]" 1
1611 1 117 ALA H 1 117 ALA MB . . 3.460 2.886 2.409 2.945 . 0 0 "[ . 1 . 2]" 1
1612 1 119 SER HA 1 120 GLY H . . 4.010 2.799 2.155 3.558 . 0 0 "[ . 1 . 2]" 1
1613 1 120 GLY H 1 121 ASN H . . 5.500 3.990 2.674 4.486 . 0 0 "[ . 1 . 2]" 1
1614 1 120 GLY H 1 121 ASN HA . . 5.500 4.954 4.625 5.356 . 0 0 "[ . 1 . 2]" 1
1615 1 120 GLY HA2 1 121 ASN H . . 3.950 2.534 2.139 3.031 . 0 0 "[ . 1 . 2]" 1
1616 1 120 GLY HA3 1 121 ASN H . . 4.090 2.784 2.200 3.556 . 0 0 "[ . 1 . 2]" 1
1617 1 121 ASN HA 1 122 GLU H . . 3.760 3.028 2.557 3.568 . 0 0 "[ . 1 . 2]" 1
1618 1 121 ASN HB2 1 121 ASN HD22 . . 4.270 3.736 3.435 4.087 . 0 0 "[ . 1 . 2]" 1
1619 1 121 ASN HB2 1 122 GLU H . . 3.720 2.537 1.843 3.611 . 0 0 "[ . 1 . 2]" 1
1620 1 121 ASN HB3 1 122 GLU H . . 3.880 2.919 1.945 3.608 . 0 0 "[ . 1 . 2]" 1
1621 1 121 ASN HD21 1 123 PHE QD . . 4.230 3.218 1.932 4.293 0.063 16 0 "[ . 1 . 2]" 1
1622 1 121 ASN HD22 1 123 PHE QD . . 4.360 3.938 2.644 4.568 0.208 18 0 "[ . 1 . 2]" 1
1623 1 122 GLU H 1 122 GLU HB2 . . 4.270 3.449 2.543 3.728 . 0 0 "[ . 1 . 2]" 1
1624 1 122 GLU H 1 122 GLU HB3 . . 4.100 2.766 2.418 3.089 . 0 0 "[ . 1 . 2]" 1
1625 1 122 GLU H 1 122 GLU HG2 . . 4.550 2.844 1.965 4.478 . 0 0 "[ . 1 . 2]" 1
1626 1 122 GLU H 1 122 GLU HG3 . . 5.500 3.297 2.224 4.643 . 0 0 "[ . 1 . 2]" 1
1627 1 122 GLU H 1 123 PHE H . . 4.770 2.342 2.026 2.671 . 0 0 "[ . 1 . 2]" 1
1628 1 122 GLU H 1 123 PHE HA . . 5.500 4.640 4.393 4.941 . 0 0 "[ . 1 . 2]" 1
1629 1 122 GLU HA 1 123 PHE H . . 4.730 3.261 3.135 3.503 . 0 0 "[ . 1 . 2]" 1
1630 1 122 GLU HA 1 125 ASP H . . 4.690 3.045 2.906 3.220 . 0 0 "[ . 1 . 2]" 1
1631 1 122 GLU HA 1 125 ASP HB2 . . 3.350 2.901 2.464 3.362 0.012 19 0 "[ . 1 . 2]" 1
1632 1 122 GLU HB2 1 123 PHE H . . 4.420 4.288 3.978 4.405 . 0 0 "[ . 1 . 2]" 1
1633 1 122 GLU HB2 1 125 ASP H . . 5.500 4.365 3.609 5.441 . 0 0 "[ . 1 . 2]" 1
1634 1 122 GLU HB3 1 123 PHE H . . 5.390 4.091 2.783 4.522 . 0 0 "[ . 1 . 2]" 1
1635 1 122 GLU HB3 1 125 ASP H . . 5.500 5.103 4.740 5.498 . 0 0 "[ . 1 . 2]" 1
1636 1 122 GLU HG2 1 123 PHE H . . 4.440 3.922 3.225 4.561 0.121 11 0 "[ . 1 . 2]" 1
1637 1 122 GLU HG2 1 123 PHE HA . . 5.500 4.697 3.844 5.487 . 0 0 "[ . 1 . 2]" 1
1638 1 122 GLU HG3 1 123 PHE H . . 5.250 3.763 2.291 5.029 . 0 0 "[ . 1 . 2]" 1
1639 1 123 PHE H 1 123 PHE QD . . 4.240 2.463 1.840 3.286 . 0 0 "[ . 1 . 2]" 1
1640 1 123 PHE H 1 124 ASN H . . 3.680 2.773 2.449 2.891 . 0 0 "[ . 1 . 2]" 1
1641 1 123 PHE HA 1 123 PHE QD . . 3.590 3.045 2.094 3.727 0.137 16 0 "[ . 1 . 2]" 1
1642 1 123 PHE HA 1 124 ASN H . . 5.500 3.499 3.464 3.548 . 0 0 "[ . 1 . 2]" 1
1643 1 123 PHE HA 1 125 ASP H . . 5.500 4.474 4.194 4.779 . 0 0 "[ . 1 . 2]" 1
1644 1 123 PHE HA 1 126 TYR H . . 3.880 3.816 3.693 3.919 0.039 4 0 "[ . 1 . 2]" 1
1645 1 123 PHE HA 1 126 TYR HB3 . . 3.750 3.822 3.376 3.935 0.185 11 0 "[ . 1 . 2]" 1
1646 1 123 PHE HB2 1 124 ASN H . . 5.150 3.278 2.702 3.884 . 0 0 "[ . 1 . 2]" 1
1647 1 123 PHE HB3 1 124 ASN H . . 5.500 3.802 3.100 4.206 . 0 0 "[ . 1 . 2]" 1
1648 1 123 PHE QD 1 124 ASN H . . 5.500 3.733 2.347 4.709 . 0 0 "[ . 1 . 2]" 1
1649 1 124 ASN H 1 124 ASN HB2 . . 4.190 3.488 2.863 3.612 . 0 0 "[ . 1 . 2]" 1
1650 1 124 ASN H 1 124 ASN HB3 . . 4.240 2.712 2.388 3.567 . 0 0 "[ . 1 . 2]" 1
1651 1 124 ASN H 1 125 ASP H . . 4.120 2.505 2.428 2.607 . 0 0 "[ . 1 . 2]" 1
1652 1 124 ASN H 1 125 ASP HB2 . . 5.500 4.394 4.277 4.597 . 0 0 "[ . 1 . 2]" 1
1653 1 124 ASN HA 1 124 ASN HD21 . . 4.470 4.046 2.947 4.456 . 0 0 "[ . 1 . 2]" 1
1654 1 124 ASN HA 1 125 ASP H . . 4.740 3.525 3.448 3.557 . 0 0 "[ . 1 . 2]" 1
1655 1 124 ASN HA 1 127 VAL H . . 5.500 3.794 3.540 3.920 . 0 0 "[ . 1 . 2]" 1
1656 1 124 ASN HA 1 127 VAL MG2 . . 3.720 3.771 3.392 3.887 0.167 17 0 "[ . 1 . 2]" 1
1657 1 124 ASN HB2 1 125 ASP H . . 4.140 3.621 2.622 4.188 0.048 12 0 "[ . 1 . 2]" 1
1658 1 124 ASN HB2 1 127 VAL MG2 . . 3.990 3.745 3.433 4.172 0.182 7 0 "[ . 1 . 2]" 1
1659 1 124 ASN HB3 1 125 ASP H . . 3.770 3.882 3.786 4.057 0.287 20 0 "[ . 1 . 2]" 1
1660 1 124 ASN HB3 1 127 VAL MG2 . . 5.140 4.828 3.766 5.156 0.016 12 0 "[ . 1 . 2]" 1
1661 1 125 ASP H 1 125 ASP HB2 . . 3.860 2.245 2.099 2.502 . 0 0 "[ . 1 . 2]" 1
1662 1 125 ASP H 1 125 ASP HB3 . . 3.990 3.513 3.401 3.593 . 0 0 "[ . 1 . 2]" 1
1663 1 125 ASP H 1 126 TYR H . . 3.910 2.713 2.501 2.757 . 0 0 "[ . 1 . 2]" 1
1664 1 125 ASP HA 1 126 TYR H . . 4.520 3.452 3.439 3.462 . 0 0 "[ . 1 . 2]" 1
1665 1 125 ASP HA 1 128 ASP H . . 5.500 3.547 3.389 3.718 . 0 0 "[ . 1 . 2]" 1
1666 1 125 ASP HB2 1 126 TYR H . . 4.550 3.170 3.032 3.337 . 0 0 "[ . 1 . 2]" 1
1667 1 125 ASP HB2 1 126 TYR HA . . 5.500 4.685 4.352 4.971 . 0 0 "[ . 1 . 2]" 1
1668 1 125 ASP HB2 1 126 TYR HB2 . . 5.500 5.301 5.031 5.571 0.071 11 0 "[ . 1 . 2]" 1
1669 1 125 ASP HB3 1 126 TYR H . . 4.300 3.668 3.443 3.925 . 0 0 "[ . 1 . 2]" 1
1670 1 126 TYR H 1 126 TYR HB2 . . 3.630 2.781 2.710 2.843 . 0 0 "[ . 1 . 2]" 1
1671 1 126 TYR H 1 126 TYR HB3 . . 3.670 2.306 2.259 2.361 . 0 0 "[ . 1 . 2]" 1
1672 1 126 TYR H 1 126 TYR QD . . 4.120 4.082 4.030 4.133 0.013 5 0 "[ . 1 . 2]" 1
1673 1 126 TYR H 1 127 VAL H . . 3.710 2.783 2.741 2.845 . 0 0 "[ . 1 . 2]" 1
1674 1 126 TYR HA 1 126 TYR QD . . 3.640 3.142 3.102 3.171 . 0 0 "[ . 1 . 2]" 1
1675 1 126 TYR HA 1 127 VAL H . . 4.220 3.516 3.479 3.548 . 0 0 "[ . 1 . 2]" 1
1676 1 126 TYR HA 1 129 MET H . . 5.500 3.595 3.499 3.719 . 0 0 "[ . 1 . 2]" 1
1677 1 126 TYR HA 1 129 MET HB2 . . 4.500 4.083 3.532 4.371 . 0 0 "[ . 1 . 2]" 1
1678 1 126 TYR HA 1 129 MET HB3 . . 5.030 4.524 3.980 5.058 0.028 17 0 "[ . 1 . 2]" 1
1679 1 126 TYR HA 1 129 MET ME . . 3.910 3.847 3.422 3.975 0.065 17 0 "[ . 1 . 2]" 1
1680 1 126 TYR HB2 1 126 TYR QD . . 3.550 2.361 2.341 2.376 . 0 0 "[ . 1 . 2]" 1
1681 1 126 TYR HB2 1 127 VAL H . . 4.480 4.107 3.962 4.227 . 0 0 "[ . 1 . 2]" 1
1682 1 126 TYR HB3 1 126 TYR QE . . 4.750 4.429 4.423 4.436 . 0 0 "[ . 1 . 2]" 1
1683 1 126 TYR HB3 1 127 VAL H . . 4.060 2.841 2.614 3.045 . 0 0 "[ . 1 . 2]" 1
1684 1 126 TYR QD 1 127 VAL H . . 5.500 2.894 2.642 3.083 . 0 0 "[ . 1 . 2]" 1
1685 1 126 TYR QD 1 127 VAL HA . . 4.790 2.851 2.644 3.046 . 0 0 "[ . 1 . 2]" 1
1686 1 126 TYR QD 1 127 VAL HB . . 5.500 4.689 4.416 4.962 . 0 0 "[ . 1 . 2]" 1
1687 1 126 TYR QD 1 127 VAL MG1 . . 3.740 2.676 2.479 2.873 . 0 0 "[ . 1 . 2]" 1
1688 1 126 TYR QD 1 127 VAL MG2 . . 4.360 4.412 4.201 4.475 0.115 9 0 "[ . 1 . 2]" 1
1689 1 126 TYR QD 1 129 MET ME . . 3.660 3.548 3.167 3.696 0.036 5 0 "[ . 1 . 2]" 1
1690 1 126 TYR QD 1 130 LYS HB2 . . 3.480 3.529 3.470 3.570 0.090 13 0 "[ . 1 . 2]" 1
1691 1 126 TYR QD 1 130 LYS HB3 . . 5.100 4.554 4.383 4.662 . 0 0 "[ . 1 . 2]" 1
1692 1 126 TYR QD 1 130 LYS HG3 . . 5.500 4.167 3.991 4.386 . 0 0 "[ . 1 . 2]" 1
1693 1 126 TYR QE 1 127 VAL MG1 . . 4.900 3.858 3.633 4.062 . 0 0 "[ . 1 . 2]" 1
1694 1 126 TYR QE 1 129 MET ME . . 3.950 3.851 3.466 3.959 0.009 6 0 "[ . 1 . 2]" 1
1695 1 126 TYR QE 1 130 LYS HB2 . . 3.540 2.928 2.762 3.072 . 0 0 "[ . 1 . 2]" 1
1696 1 126 TYR QE 1 130 LYS HG2 . . 4.400 3.252 2.958 3.687 . 0 0 "[ . 1 . 2]" 1
1697 1 127 VAL H 1 127 VAL HB . . 4.180 3.611 3.599 3.615 . 0 0 "[ . 1 . 2]" 1
1698 1 127 VAL H 1 127 VAL MG1 . . 3.750 2.058 1.906 2.221 . 0 0 "[ . 1 . 2]" 1
1699 1 127 VAL H 1 127 VAL MG2 . . 3.280 2.308 2.070 2.485 . 0 0 "[ . 1 . 2]" 1
1700 1 127 VAL H 1 128 ASP H . . 3.910 2.705 2.684 2.716 . 0 0 "[ . 1 . 2]" 1
1701 1 127 VAL H 1 128 ASP HB2 . . 5.500 4.914 4.622 5.144 . 0 0 "[ . 1 . 2]" 1
1702 1 127 VAL HA 1 127 VAL MG1 . . 3.250 2.357 2.278 2.419 . 0 0 "[ . 1 . 2]" 1
1703 1 127 VAL HA 1 127 VAL MG2 . . 3.130 3.185 3.181 3.187 0.057 18 0 "[ . 1 . 2]" 1
1704 1 127 VAL HA 1 128 ASP H . . 4.880 3.445 3.428 3.462 . 0 0 "[ . 1 . 2]" 1
1705 1 127 VAL HA 1 129 MET H . . 5.500 4.465 4.356 4.575 . 0 0 "[ . 1 . 2]" 1
1706 1 127 VAL HA 1 130 LYS H . . 4.200 3.365 3.249 3.503 . 0 0 "[ . 1 . 2]" 1
1707 1 127 VAL HA 1 130 LYS HB2 . . 3.620 2.628 2.385 2.851 . 0 0 "[ . 1 . 2]" 1
1708 1 127 VAL HA 1 130 LYS HB3 . . 3.880 2.917 2.688 3.140 . 0 0 "[ . 1 . 2]" 1
1709 1 127 VAL HA 1 130 LYS HG3 . . 4.700 4.191 3.938 4.412 . 0 0 "[ . 1 . 2]" 1
1710 1 127 VAL HA 1 131 ALA H . . 5.500 3.395 3.236 3.633 . 0 0 "[ . 1 . 2]" 1
1711 1 127 VAL HA 1 131 ALA MB . . 5.500 4.151 4.008 4.421 . 0 0 "[ . 1 . 2]" 1
1712 1 127 VAL HB 1 128 ASP H . . 4.680 4.021 3.914 4.131 . 0 0 "[ . 1 . 2]" 1
1713 1 127 VAL HB 1 131 ALA MB . . 5.500 3.544 3.404 3.933 . 0 0 "[ . 1 . 2]" 1
1714 1 127 VAL MG1 1 128 ASP H . . 4.460 3.986 3.870 4.101 . 0 0 "[ . 1 . 2]" 1
1715 1 127 VAL MG2 1 128 ASP H . . 3.620 2.117 2.055 2.232 . 0 0 "[ . 1 . 2]" 1
1716 1 127 VAL MG2 1 128 ASP HB2 . . 5.500 3.912 3.247 4.287 . 0 0 "[ . 1 . 2]" 1
1717 1 128 ASP H 1 128 ASP HB2 . . 3.630 2.443 2.179 2.634 . 0 0 "[ . 1 . 2]" 1
1718 1 128 ASP H 1 128 ASP HB3 . . 3.660 3.381 2.845 3.592 . 0 0 "[ . 1 . 2]" 1
1719 1 128 ASP H 1 129 MET H . . 3.720 2.787 2.687 2.887 . 0 0 "[ . 1 . 2]" 1
1720 1 128 ASP H 1 131 ALA MB . . 5.500 4.654 4.539 4.829 . 0 0 "[ . 1 . 2]" 1
1721 1 128 ASP HA 1 129 MET H . . 4.440 3.561 3.552 3.567 . 0 0 "[ . 1 . 2]" 1
1722 1 128 ASP HA 1 129 MET HA . . 5.500 4.714 4.704 4.737 . 0 0 "[ . 1 . 2]" 1
1723 1 128 ASP HA 1 131 ALA H . . 5.500 4.014 3.835 4.138 . 0 0 "[ . 1 . 2]" 1
1724 1 128 ASP HA 1 131 ALA MB . . 4.030 3.060 2.905 3.242 . 0 0 "[ . 1 . 2]" 1
1725 1 128 ASP HB2 1 129 MET H . . 4.380 2.723 2.327 3.537 . 0 0 "[ . 1 . 2]" 1
1726 1 128 ASP HB2 1 131 ALA MB . . 5.500 5.432 5.187 5.562 0.062 17 0 "[ . 1 . 2]" 1
1727 1 128 ASP HB3 1 129 MET H . . 3.940 3.163 2.328 3.676 . 0 0 "[ . 1 . 2]" 1
1728 1 128 ASP HB3 1 131 ALA MB . . 5.250 5.144 5.001 5.361 0.111 20 0 "[ . 1 . 2]" 1
1729 1 129 MET H 1 129 MET HB2 . . 3.640 2.249 2.079 2.385 . 0 0 "[ . 1 . 2]" 1
1730 1 129 MET H 1 129 MET HB3 . . 3.610 2.913 2.710 3.302 . 0 0 "[ . 1 . 2]" 1
1731 1 129 MET H 1 129 MET ME . . 4.420 3.916 3.684 4.177 . 0 0 "[ . 1 . 2]" 1
1732 1 129 MET H 1 129 MET HG2 . . 4.960 4.528 4.225 4.646 . 0 0 "[ . 1 . 2]" 1
1733 1 129 MET H 1 129 MET HG3 . . 4.310 4.126 3.522 4.342 0.032 5 0 "[ . 1 . 2]" 1
1734 1 129 MET H 1 130 LYS H . . 3.690 2.564 2.512 2.652 . 0 0 "[ . 1 . 2]" 1
1735 1 129 MET H 1 130 LYS HB2 . . 5.500 4.401 4.354 4.503 . 0 0 "[ . 1 . 2]" 1
1736 1 129 MET HA 1 129 MET ME . . 4.830 4.271 4.127 4.333 . 0 0 "[ . 1 . 2]" 1
1737 1 129 MET HA 1 129 MET HG2 . . 4.070 2.861 2.194 3.136 . 0 0 "[ . 1 . 2]" 1
1738 1 129 MET HA 1 129 MET HG3 . . 4.080 2.384 2.074 2.843 . 0 0 "[ . 1 . 2]" 1
1739 1 129 MET HA 1 130 LYS H . . 5.210 3.537 3.500 3.558 . 0 0 "[ . 1 . 2]" 1
1740 1 129 MET HA 1 132 LYS HB2 . . 4.570 2.550 2.360 2.634 . 0 0 "[ . 1 . 2]" 1
1741 1 129 MET HA 1 132 LYS HB3 . . 3.940 3.941 3.748 4.028 0.088 20 0 "[ . 1 . 2]" 1
1742 1 129 MET HA 1 132 LYS HD2 . . 3.800 3.649 2.731 3.840 0.040 17 0 "[ . 1 . 2]" 1
1743 1 129 MET HB2 1 130 LYS H . . 4.150 3.500 2.955 3.788 . 0 0 "[ . 1 . 2]" 1
1744 1 129 MET HB3 1 130 LYS H . . 4.370 2.674 2.426 2.928 . 0 0 "[ . 1 . 2]" 1
1745 1 129 MET ME 1 130 LYS HA . . 5.500 5.011 4.392 5.526 0.026 17 0 "[ . 1 . 2]" 1
1746 1 130 LYS H 1 130 LYS HB2 . . 3.970 2.089 2.072 2.125 . 0 0 "[ . 1 . 2]" 1
1747 1 130 LYS H 1 130 LYS HB3 . . 3.920 3.121 3.027 3.168 . 0 0 "[ . 1 . 2]" 1
1748 1 130 LYS H 1 130 LYS HG2 . . 4.330 3.833 3.768 3.972 . 0 0 "[ . 1 . 2]" 1
1749 1 130 LYS H 1 130 LYS HG3 . . 4.550 4.369 4.208 4.456 . 0 0 "[ . 1 . 2]" 1
1750 1 130 LYS HA 1 130 LYS HD2 . . 5.500 3.970 3.844 4.225 . 0 0 "[ . 1 . 2]" 1
1751 1 130 LYS HA 1 130 LYS HD3 . . 5.050 2.964 2.740 3.305 . 0 0 "[ . 1 . 2]" 1
1752 1 130 LYS HA 1 130 LYS HG2 . . 4.320 2.367 2.183 2.465 . 0 0 "[ . 1 . 2]" 1
1753 1 130 LYS HA 1 130 LYS HG3 . . 4.160 3.575 3.508 3.606 . 0 0 "[ . 1 . 2]" 1
1754 1 130 LYS HA 1 131 ALA H . . 4.000 3.557 3.515 3.568 . 0 0 "[ . 1 . 2]" 1
1755 1 130 LYS HA 1 133 SER H . . 4.890 3.715 3.545 3.888 . 0 0 "[ . 1 . 2]" 1
1756 1 130 LYS HB2 1 130 LYS HD3 . . 4.280 3.524 3.459 3.546 . 0 0 "[ . 1 . 2]" 1
1757 1 130 LYS HB2 1 130 LYS HE2 . . 5.500 4.807 3.969 5.405 . 0 0 "[ . 1 . 2]" 1
1758 1 130 LYS HB2 1 130 LYS HE3 . . 5.500 4.374 3.911 5.424 . 0 0 "[ . 1 . 2]" 1
1759 1 130 LYS HB2 1 131 ALA H . . 3.940 3.225 3.063 3.549 . 0 0 "[ . 1 . 2]" 1
1760 1 130 LYS HB3 1 130 LYS HD3 . . 3.640 2.303 2.131 2.391 . 0 0 "[ . 1 . 2]" 1
1761 1 130 LYS HB3 1 130 LYS HE2 . . 5.500 4.259 3.668 4.618 . 0 0 "[ . 1 . 2]" 1
1762 1 130 LYS HB3 1 130 LYS HE3 . . 5.500 4.116 3.525 4.794 . 0 0 "[ . 1 . 2]" 1
1763 1 130 LYS HB3 1 131 ALA H . . 3.440 2.536 2.433 2.820 . 0 0 "[ . 1 . 2]" 1
1764 1 130 LYS HD3 1 131 ALA H . . 4.060 4.065 3.979 4.130 0.070 13 0 "[ . 1 . 2]" 1
1765 1 130 LYS HG2 1 131 ALA H . . 5.260 4.940 4.827 5.099 . 0 0 "[ . 1 . 2]" 1
1766 1 130 LYS HG3 1 131 ALA H . . 5.500 4.923 4.820 5.182 . 0 0 "[ . 1 . 2]" 1
1767 1 131 ALA H 1 131 ALA MB . . 3.020 2.189 2.115 2.231 . 0 0 "[ . 1 . 2]" 1
1768 1 131 ALA H 1 132 LYS H . . 3.760 2.713 2.493 2.789 . 0 0 "[ . 1 . 2]" 1
1769 1 131 ALA HA 1 132 LYS H . . 4.990 3.510 3.505 3.526 . 0 0 "[ . 1 . 2]" 1
1770 1 131 ALA HA 1 134 ALA H . . 4.500 3.155 3.021 3.453 . 0 0 "[ . 1 . 2]" 1
1771 1 131 ALA HA 1 134 ALA MB . . 3.570 2.682 2.274 3.208 . 0 0 "[ . 1 . 2]" 1
1772 1 131 ALA MB 1 132 LYS H . . 3.510 2.731 2.625 2.787 . 0 0 "[ . 1 . 2]" 1
1773 1 131 ALA MB 1 132 LYS HA . . 5.500 3.842 3.793 3.858 . 0 0 "[ . 1 . 2]" 1
1774 1 131 ALA MB 1 132 LYS HB2 . . 5.500 4.353 4.217 4.514 . 0 0 "[ . 1 . 2]" 1
1775 1 131 ALA MB 1 134 ALA H . . 5.500 4.270 4.179 4.436 . 0 0 "[ . 1 . 2]" 1
1776 1 132 LYS H 1 132 LYS HB2 . . 4.170 2.074 2.061 2.173 . 0 0 "[ . 1 . 2]" 1
1777 1 132 LYS H 1 132 LYS HB3 . . 3.750 3.298 3.192 3.483 . 0 0 "[ . 1 . 2]" 1
1778 1 132 LYS H 1 132 LYS HD2 . . 5.500 4.828 4.424 4.923 . 0 0 "[ . 1 . 2]" 1
1779 1 132 LYS H 1 132 LYS HD3 . . 5.500 5.326 5.034 5.389 . 0 0 "[ . 1 . 2]" 1
1780 1 132 LYS H 1 132 LYS HG2 . . 5.500 4.047 3.879 4.143 . 0 0 "[ . 1 . 2]" 1
1781 1 132 LYS H 1 132 LYS HG3 . . 5.500 3.541 2.946 3.789 . 0 0 "[ . 1 . 2]" 1
1782 1 132 LYS H 1 133 SER H . . 3.770 2.765 2.687 2.804 . 0 0 "[ . 1 . 2]" 1
1783 1 132 LYS HA 1 132 LYS HD2 . . 5.500 4.471 4.436 4.576 . 0 0 "[ . 1 . 2]" 1
1784 1 132 LYS HA 1 132 LYS HD3 . . 5.500 4.043 3.955 4.224 . 0 0 "[ . 1 . 2]" 1
1785 1 132 LYS HA 1 132 LYS HG2 . . 4.250 2.145 2.100 2.286 . 0 0 "[ . 1 . 2]" 1
1786 1 132 LYS HA 1 132 LYS HG3 . . 4.110 2.944 2.849 3.003 . 0 0 "[ . 1 . 2]" 1
1787 1 132 LYS HA 1 133 SER H . . 5.190 3.502 3.484 3.533 . 0 0 "[ . 1 . 2]" 1
1788 1 132 LYS HA 1 134 ALA H . . 5.500 4.291 3.960 4.601 . 0 0 "[ . 1 . 2]" 1
1789 1 132 LYS HA 1 137 ILE HB . . 4.800 4.636 3.257 4.819 0.019 13 0 "[ . 1 . 2]" 1
1790 1 132 LYS HA 1 137 ILE MD . . 4.050 3.862 2.563 4.098 0.048 13 0 "[ . 1 . 2]" 1
1791 1 132 LYS HA 1 137 ILE HG12 . . 4.700 3.554 3.218 4.834 0.134 20 0 "[ . 1 . 2]" 1
1792 1 132 LYS HB2 1 132 LYS HE2 . . 5.500 4.904 4.522 5.125 . 0 0 "[ . 1 . 2]" 1
1793 1 132 LYS HB2 1 132 LYS HE3 . . 5.500 4.376 4.167 4.656 . 0 0 "[ . 1 . 2]" 1
1794 1 132 LYS HB2 1 133 SER H . . 4.280 3.294 2.897 3.468 . 0 0 "[ . 1 . 2]" 1
1795 1 132 LYS HB3 1 132 LYS HE2 . . 5.500 4.460 4.239 4.571 . 0 0 "[ . 1 . 2]" 1
1796 1 132 LYS HB3 1 132 LYS HE3 . . 5.500 4.417 4.346 4.718 . 0 0 "[ . 1 . 2]" 1
1797 1 132 LYS HB3 1 133 SER H . . 4.400 3.110 2.910 3.226 . 0 0 "[ . 1 . 2]" 1
1798 1 132 LYS HD2 1 133 SER H . . 5.500 5.492 5.325 5.521 0.021 20 0 "[ . 1 . 2]" 1
1799 1 132 LYS HD2 1 137 ILE MG . . 5.500 3.786 3.539 4.189 . 0 0 "[ . 1 . 2]" 1
1800 1 132 LYS HD3 1 133 SER H . . 5.500 5.479 5.259 5.520 0.020 20 0 "[ . 1 . 2]" 1
1801 1 132 LYS HD3 1 137 ILE HA . . 5.220 5.027 4.684 5.239 0.019 17 0 "[ . 1 . 2]" 1
1802 1 132 LYS HD3 1 137 ILE MD . . 4.610 3.552 2.078 4.161 . 0 0 "[ . 1 . 2]" 1
1803 1 132 LYS HD3 1 137 ILE MG . . 4.240 2.442 2.068 2.882 . 0 0 "[ . 1 . 2]" 1
1804 1 132 LYS HE2 1 137 ILE MD . . 5.500 3.552 2.668 4.835 . 0 0 "[ . 1 . 2]" 1
1805 1 132 LYS HE2 1 137 ILE HG12 . . 5.500 4.828 4.160 5.416 . 0 0 "[ . 1 . 2]" 1
1806 1 132 LYS HE2 1 137 ILE MG . . 5.500 2.714 2.067 3.761 . 0 0 "[ . 1 . 2]" 1
1807 1 132 LYS HG2 1 135 LEU MD1 . . 5.500 4.098 2.678 5.525 0.025 20 0 "[ . 1 . 2]" 1
1808 1 132 LYS HG2 1 135 LEU MD2 . . 5.500 4.841 3.556 5.535 0.035 14 0 "[ . 1 . 2]" 1
1809 1 132 LYS HG2 1 137 ILE MD . . 5.500 3.058 1.883 3.449 . 0 0 "[ . 1 . 2]" 1
1810 1 132 LYS HG2 1 137 ILE MG . . 5.500 3.650 2.747 3.855 . 0 0 "[ . 1 . 2]" 1
1811 1 133 SER H 1 133 SER HB2 . . 3.640 2.467 2.116 3.609 . 0 0 "[ . 1 . 2]" 1
1812 1 133 SER H 1 133 SER HB3 . . 3.710 3.260 2.497 3.616 . 0 0 "[ . 1 . 2]" 1
1813 1 133 SER H 1 134 ALA H . . 3.590 2.520 2.410 2.744 . 0 0 "[ . 1 . 2]" 1
1814 1 133 SER H 1 134 ALA MB . . 5.500 4.168 3.993 4.392 . 0 0 "[ . 1 . 2]" 1
1815 1 133 SER H 1 135 LEU H . . 5.500 4.156 3.914 4.457 . 0 0 "[ . 1 . 2]" 1
1816 1 133 SER HA 1 134 ALA H . . 4.130 3.508 3.491 3.549 . 0 0 "[ . 1 . 2]" 1
1817 1 133 SER HA 1 134 ALA MB . . 5.500 4.996 4.956 5.035 . 0 0 "[ . 1 . 2]" 1
1818 1 133 SER HA 1 136 GLY H . . 4.280 3.466 2.944 4.130 . 0 0 "[ . 1 . 2]" 1
1819 1 133 SER HA 1 137 ILE H . . 4.110 3.450 2.988 3.878 . 0 0 "[ . 1 . 2]" 1
1820 1 133 SER HA 1 137 ILE HB . . 4.830 4.395 3.739 4.859 0.029 20 0 "[ . 1 . 2]" 1
1821 1 133 SER HB2 1 134 ALA H . . 3.970 3.185 2.629 3.989 0.019 13 0 "[ . 1 . 2]" 1
1822 1 133 SER HB3 1 134 ALA H . . 4.040 3.416 2.494 3.952 . 0 0 "[ . 1 . 2]" 1
1823 1 134 ALA H 1 134 ALA MB . . 2.930 2.169 2.025 2.234 . 0 0 "[ . 1 . 2]" 1
1824 1 134 ALA H 1 135 LEU H . . 3.410 2.681 2.458 2.821 . 0 0 "[ . 1 . 2]" 1
1825 1 134 ALA H 1 135 LEU HB2 . . 5.500 5.165 4.509 5.552 0.052 13 0 "[ . 1 . 2]" 1
1826 1 134 ALA H 1 135 LEU MD2 . . 5.500 5.154 4.021 5.597 0.097 20 0 "[ . 1 . 2]" 1
1827 1 134 ALA HA 1 135 LEU H . . 4.090 3.523 3.476 3.544 . 0 0 "[ . 1 . 2]" 1
1828 1 134 ALA MB 1 135 LEU H . . 3.630 2.646 2.501 2.845 . 0 0 "[ . 1 . 2]" 1
1829 1 134 ALA MB 1 135 LEU HA . . 5.500 3.819 3.701 3.945 . 0 0 "[ . 1 . 2]" 1
1830 1 134 ALA MB 1 136 GLY H . . 5.500 4.665 4.240 5.041 . 0 0 "[ . 1 . 2]" 1
1831 1 135 LEU H 1 135 LEU HB3 . . 4.090 3.089 2.196 3.654 . 0 0 "[ . 1 . 2]" 1
1832 1 135 LEU H 1 135 LEU MD1 . . 4.480 3.681 2.279 4.411 . 0 0 "[ . 1 . 2]" 1
1833 1 135 LEU H 1 135 LEU HG . . 4.470 3.244 1.976 4.479 0.009 1 0 "[ . 1 . 2]" 1
1834 1 135 LEU H 1 136 GLY H . . 3.290 2.609 2.255 2.989 . 0 0 "[ . 1 . 2]" 1
1835 1 135 LEU HA 1 136 GLY H . . 3.720 3.536 3.382 3.575 . 0 0 "[ . 1 . 2]" 1
1836 1 135 LEU HB2 1 136 GLY H . . 5.500 3.093 2.050 3.976 . 0 0 "[ . 1 . 2]" 1
1837 1 135 LEU HB3 1 136 GLY H . . 4.470 3.264 2.305 4.059 . 0 0 "[ . 1 . 2]" 1
1838 1 136 GLY H 1 136 GLY HA3 . . 3.120 2.940 2.873 2.957 . 0 0 "[ . 1 . 2]" 1
1839 1 136 GLY H 1 137 ILE H . . 3.500 2.319 1.894 2.976 . 0 0 "[ . 1 . 2]" 1
1840 1 136 GLY HA2 1 137 ILE H . . 4.100 2.722 2.281 3.062 . 0 0 "[ . 1 . 2]" 1
1841 1 136 GLY HA3 1 137 ILE H . . 4.010 3.521 3.441 3.563 . 0 0 "[ . 1 . 2]" 1
1842 1 137 ILE H 1 137 ILE HB . . 3.380 2.659 2.582 2.763 . 0 0 "[ . 1 . 2]" 1
1843 1 137 ILE H 1 137 ILE MD . . 4.200 3.303 2.914 3.850 . 0 0 "[ . 1 . 2]" 1
1844 1 137 ILE H 1 137 ILE HG12 . . 3.580 2.364 1.944 3.359 . 0 0 "[ . 1 . 2]" 1
1845 1 137 ILE H 1 137 ILE HG13 . . 4.070 3.461 1.942 4.076 0.006 17 0 "[ . 1 . 2]" 1
1846 1 137 ILE H 1 137 ILE MG . . 4.240 3.798 3.756 3.906 . 0 0 "[ . 1 . 2]" 1
1847 1 137 ILE HA 1 137 ILE MD . . 4.120 2.299 1.964 3.857 . 0 0 "[ . 1 . 2]" 1
1848 1 137 ILE HA 1 137 ILE HG12 . . 3.890 3.060 2.608 3.259 . 0 0 "[ . 1 . 2]" 1
1849 1 137 ILE HA 1 137 ILE HG13 . . 4.120 3.689 3.192 3.793 . 0 0 "[ . 1 . 2]" 1
1850 1 137 ILE HA 1 137 ILE MG . . 3.270 2.265 2.170 2.378 . 0 0 "[ . 1 . 2]" 1
1851 1 137 ILE HA 1 138 ARG H . . 4.080 2.370 2.161 3.529 . 0 0 "[ . 1 . 2]" 1
1852 1 137 ILE HA 1 138 ARG HG2 . . 5.500 4.749 4.012 5.569 0.069 1 0 "[ . 1 . 2]" 1
1853 1 137 ILE HB 1 137 ILE MD . . 3.120 3.104 2.414 3.229 0.109 1 0 "[ . 1 . 2]" 1
1854 1 137 ILE MD 1 137 ILE MG . . 2.400 2.047 1.889 2.189 . 0 0 "[ . 1 . 2]" 1
1855 1 137 ILE HG13 1 137 ILE MG . . 3.500 2.431 2.224 3.202 . 0 0 "[ . 1 . 2]" 1
1856 1 137 ILE MG 1 138 ARG H . . 3.970 2.264 1.935 3.789 . 0 0 "[ . 1 . 2]" 1
1857 1 137 ILE MG 1 138 ARG HA . . 5.500 4.101 3.735 4.865 . 0 0 "[ . 1 . 2]" 1
1858 1 137 ILE MG 1 138 ARG HB2 . . 5.500 4.591 3.708 5.501 0.001 18 0 "[ . 1 . 2]" 1
1859 1 137 ILE MG 1 138 ARG HB3 . . 5.500 4.358 3.811 4.771 . 0 0 "[ . 1 . 2]" 1
1860 1 137 ILE MG 1 138 ARG HG2 . . 5.500 3.627 2.306 5.387 . 0 0 "[ . 1 . 2]" 1
1861 1 138 ARG H 1 139 ASP H . . 5.500 4.469 3.834 4.640 . 0 0 "[ . 1 . 2]" 1
1862 1 138 ARG HA 1 138 ARG HD2 . . 5.500 4.386 3.652 5.468 . 0 0 "[ . 1 . 2]" 1
1863 1 138 ARG HA 1 138 ARG HD3 . . 5.500 4.360 3.539 5.307 . 0 0 "[ . 1 . 2]" 1
1864 1 138 ARG HA 1 139 ASP H . . 3.460 2.499 2.139 2.715 . 0 0 "[ . 1 . 2]" 1
1865 1 138 ARG HB2 1 139 ASP H . . 3.950 2.689 1.938 3.980 0.030 8 0 "[ . 1 . 2]" 1
1866 1 138 ARG HB2 1 139 ASP HA . . 5.500 4.483 3.962 5.500 0.000 16 0 "[ . 1 . 2]" 1
1867 1 138 ARG HB3 1 139 ASP H . . 4.550 3.435 2.148 4.514 . 0 0 "[ . 1 . 2]" 1
1868 1 138 ARG HB3 1 139 ASP HA . . 5.500 5.180 3.792 5.587 0.087 11 0 "[ . 1 . 2]" 1
1869 1 138 ARG HG2 1 139 ASP HA . . 5.500 4.761 3.670 5.532 0.032 2 0 "[ . 1 . 2]" 1
1870 1 139 ASP H 1 139 ASP HB2 . . 4.000 3.308 3.027 4.003 0.003 2 0 "[ . 1 . 2]" 1
1871 1 139 ASP H 1 139 ASP HB3 . . 3.920 3.644 3.310 3.950 0.030 11 0 "[ . 1 . 2]" 1
1872 1 139 ASP H 1 140 LEU H . . 4.390 4.248 3.162 4.394 0.004 16 0 "[ . 1 . 2]" 1
1873 1 139 ASP HA 1 140 LEU H . . 3.110 2.479 2.140 2.718 . 0 0 "[ . 1 . 2]" 1
1874 1 139 ASP HA 1 140 LEU HB2 . . 5.500 4.524 3.857 5.553 0.053 19 0 "[ . 1 . 2]" 1
1875 1 139 ASP HA 1 140 LEU HB3 . . 5.500 5.064 3.988 5.505 0.005 5 0 "[ . 1 . 2]" 1
1876 1 139 ASP HB2 1 140 LEU H . . 4.510 3.741 1.957 4.511 0.001 15 0 "[ . 1 . 2]" 1
1877 1 139 ASP HB3 1 140 LEU H . . 4.390 2.969 2.258 4.235 . 0 0 "[ . 1 . 2]" 1
1878 1 140 LEU H 1 140 LEU HB2 . . 4.090 3.114 2.333 4.007 . 0 0 "[ . 1 . 2]" 1
1879 1 140 LEU H 1 140 LEU HB3 . . 4.010 3.496 3.027 3.926 . 0 0 "[ . 1 . 2]" 1
1880 1 140 LEU H 1 140 LEU MD1 . . 4.940 4.106 1.962 4.768 . 0 0 "[ . 1 . 2]" 1
1881 1 140 LEU H 1 140 LEU MD2 . . 4.790 3.995 1.919 4.791 0.001 13 0 "[ . 1 . 2]" 1
1882 1 140 LEU H 1 140 LEU HG . . 4.330 3.989 2.354 4.332 0.002 8 0 "[ . 1 . 2]" 1
1883 1 140 LEU H 1 141 GLU H . . 4.750 3.915 2.748 4.629 . 0 0 "[ . 1 . 2]" 1
1884 1 140 LEU HA 1 140 LEU MD1 . . 4.180 3.720 3.347 4.131 . 0 0 "[ . 1 . 2]" 1
1885 1 140 LEU HA 1 140 LEU MD2 . . 3.220 2.991 2.111 3.421 0.201 19 0 "[ . 1 . 2]" 1
1886 1 140 LEU HA 1 140 LEU HG . . 4.070 2.727 2.121 4.271 0.201 19 0 "[ . 1 . 2]" 1
1887 1 140 LEU HA 1 141 GLU H . . 3.450 2.480 2.169 3.556 0.106 14 0 "[ . 1 . 2]" 1
1888 1 140 LEU HB2 1 141 GLU H . . 5.500 3.704 2.235 4.635 . 0 0 "[ . 1 . 2]" 1
1889 1 140 LEU HB3 1 141 GLU H . . 4.580 3.483 2.204 4.525 . 0 0 "[ . 1 . 2]" 1
1890 1 140 LEU MD1 1 141 GLU H . . 5.500 4.563 3.652 5.465 . 0 0 "[ . 1 . 2]" 1
1891 1 140 LEU MD2 1 141 GLU H . . 5.500 3.309 1.885 4.864 . 0 0 "[ . 1 . 2]" 1
1892 1 140 LEU HG 1 141 GLU H . . 4.920 3.842 2.455 4.915 . 0 0 "[ . 1 . 2]" 1
1893 1 141 GLU H 1 141 GLU HB2 . . 4.120 3.056 2.108 4.049 . 0 0 "[ . 1 . 2]" 1
1894 1 141 GLU H 1 141 GLU HB3 . . 3.780 3.500 2.359 3.973 0.193 14 0 "[ . 1 . 2]" 1
1895 1 141 GLU H 1 141 GLU HG2 . . 4.550 3.930 2.381 4.675 0.125 14 0 "[ . 1 . 2]" 1
1896 1 141 GLU H 1 141 GLU HG3 . . 4.620 4.090 2.703 4.620 0.000 4 0 "[ . 1 . 2]" 1
1897 1 141 GLU H 1 142 HIS H . . 5.110 4.113 2.409 4.646 . 0 0 "[ . 1 . 2]" 1
1898 1 141 GLU HA 1 141 GLU HG2 . . 3.930 2.603 2.022 3.912 . 0 0 "[ . 1 . 2]" 1
1899 1 141 GLU HA 1 141 GLU HG3 . . 3.830 3.215 2.537 3.756 . 0 0 "[ . 1 . 2]" 1
1900 1 141 GLU HA 1 142 HIS H . . 4.530 2.667 2.150 3.568 . 0 0 "[ . 1 . 2]" 1
1901 1 141 GLU HB2 1 142 HIS H . . 5.500 3.338 1.951 4.661 . 0 0 "[ . 1 . 2]" 1
1902 1 141 GLU HB3 1 142 HIS H . . 5.500 2.835 2.111 4.129 . 0 0 "[ . 1 . 2]" 1
1903 1 141 GLU HG2 1 142 HIS H . . 5.500 3.787 2.801 5.553 0.053 14 0 "[ . 1 . 2]" 1
1904 1 141 GLU HG3 1 142 HIS H . . 5.500 4.126 2.739 4.751 . 0 0 "[ . 1 . 2]" 1
1905 1 142 HIS H 1 142 HIS HD2 . . 5.500 4.341 2.366 5.413 . 0 0 "[ . 1 . 2]" 1
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