NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
484310 |
2hfd   |
7256 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2hfd
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 1461
_Distance_constraint_stats_list.Viol_count 2064
_Distance_constraint_stats_list.Viol_total 2616.548
_Distance_constraint_stats_list.Viol_max 0.413
_Distance_constraint_stats_list.Viol_rms 0.0233
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0045
_Distance_constraint_stats_list.Viol_average_violations_only 0.0634
_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 ASN 0.207 0.081 18 0 "[ . 1 . 2]"
1 4 ASP 2.474 0.237 6 0 "[ . 1 . 2]"
1 5 THR 5.037 0.245 18 0 "[ . 1 . 2]"
1 6 PRO 0.411 0.113 7 0 "[ . 1 . 2]"
1 7 PHE 0.263 0.097 19 0 "[ . 1 . 2]"
1 8 ASP 5.498 0.275 13 0 "[ . 1 . 2]"
1 9 ALA 8.348 0.275 13 0 "[ . 1 . 2]"
1 10 LEU 1.864 0.162 1 0 "[ . 1 . 2]"
1 11 TRP 3.990 0.125 6 0 "[ . 1 . 2]"
1 12 GLN 4.821 0.166 3 0 "[ . 1 . 2]"
1 13 ARG 2.853 0.121 5 0 "[ . 1 . 2]"
1 14 MET 2.076 0.105 14 0 "[ . 1 . 2]"
1 15 LEU 3.094 0.147 1 0 "[ . 1 . 2]"
1 16 ALA 0.051 0.037 3 0 "[ . 1 . 2]"
1 17 ARG 3.186 0.171 1 0 "[ . 1 . 2]"
1 18 GLY 0.077 0.077 1 0 "[ . 1 . 2]"
1 19 TRP 1.690 0.159 12 0 "[ . 1 . 2]"
1 20 THR 1.747 0.159 12 0 "[ . 1 . 2]"
1 21 PRO 0.515 0.046 17 0 "[ . 1 . 2]"
1 22 VAL 0.341 0.046 15 0 "[ . 1 . 2]"
1 23 SER 0.360 0.046 15 0 "[ . 1 . 2]"
1 24 GLU 1.461 0.322 10 0 "[ . 1 . 2]"
1 25 SER 1.375 0.322 10 0 "[ . 1 . 2]"
1 26 ARG 3.549 0.333 17 0 "[ . 1 . 2]"
1 27 LEU 0.281 0.083 12 0 "[ . 1 . 2]"
1 28 ASP 2.319 0.174 17 0 "[ . 1 . 2]"
1 29 ASP 5.120 0.309 6 0 "[ . 1 . 2]"
1 30 TRP 4.578 0.309 6 0 "[ . 1 . 2]"
1 31 LEU 0.670 0.194 13 0 "[ . 1 . 2]"
1 32 THR 1.129 0.168 17 0 "[ . 1 . 2]"
1 33 GLN 1.385 0.107 10 0 "[ . 1 . 2]"
1 34 ALA 0.869 0.116 12 0 "[ . 1 . 2]"
1 35 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ASP 0.688 0.233 14 0 "[ . 1 . 2]"
1 37 GLY 1.083 0.141 17 0 "[ . 1 . 2]"
1 38 VAL 0.443 0.070 8 0 "[ . 1 . 2]"
1 39 VAL 0.345 0.095 15 0 "[ . 1 . 2]"
1 40 LEU 1.384 0.157 11 0 "[ . 1 . 2]"
1 41 LEU 1.004 0.171 19 0 "[ . 1 . 2]"
1 45 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 LYS 3.041 0.413 9 0 "[ . 1 . 2]"
1 47 ARG 0.879 0.136 7 0 "[ . 1 . 2]"
1 48 THR 0.504 0.100 12 0 "[ . 1 . 2]"
1 49 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 GLU 1.561 0.227 19 0 "[ . 1 . 2]"
1 51 VAL 2.524 0.227 19 0 "[ . 1 . 2]"
1 52 SER 4.388 0.395 2 0 "[ . 1 . 2]"
1 53 ASP 2.826 0.221 11 0 "[ . 1 . 2]"
1 56 VAL 0.187 0.090 7 0 "[ . 1 . 2]"
1 57 MET 1.325 0.144 6 0 "[ . 1 . 2]"
1 58 ILE 0.216 0.054 15 0 "[ . 1 . 2]"
1 59 GLY 0.353 0.068 16 0 "[ . 1 . 2]"
1 60 GLU 1.592 0.111 13 0 "[ . 1 . 2]"
1 61 LEU 0.183 0.054 15 0 "[ . 1 . 2]"
1 62 LEU 0.542 0.069 10 0 "[ . 1 . 2]"
1 63 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 GLU 0.937 0.278 2 0 "[ . 1 . 2]"
1 65 PHE 0.098 0.084 8 0 "[ . 1 . 2]"
1 66 PRO 0.108 0.108 8 0 "[ . 1 . 2]"
1 67 ASP 2.397 0.264 1 0 "[ . 1 . 2]"
1 68 TYR 4.878 0.235 4 0 "[ . 1 . 2]"
1 69 THR 3.911 0.257 12 0 "[ . 1 . 2]"
1 70 TRP 2.961 0.257 12 0 "[ . 1 . 2]"
1 71 GLN 2.580 0.143 20 0 "[ . 1 . 2]"
1 72 VAL 0.612 0.143 20 0 "[ . 1 . 2]"
1 73 ALA 0.139 0.039 9 0 "[ . 1 . 2]"
1 74 ILE 0.106 0.050 16 0 "[ . 1 . 2]"
1 75 ALA 0.666 0.157 11 0 "[ . 1 . 2]"
1 76 ASP 1.738 0.135 17 0 "[ . 1 . 2]"
1 77 LEU 1.825 0.135 17 0 "[ . 1 . 2]"
1 78 GLU 1.028 0.090 3 0 "[ . 1 . 2]"
1 79 GLN 0.011 0.011 14 0 "[ . 1 . 2]"
1 80 SER 1.222 0.133 20 0 "[ . 1 . 2]"
1 81 GLU 2.850 0.130 14 0 "[ . 1 . 2]"
1 82 ALA 2.548 0.141 8 0 "[ . 1 . 2]"
1 83 ILE 1.785 0.106 9 0 "[ . 1 . 2]"
1 84 GLY 0.324 0.082 10 0 "[ . 1 . 2]"
1 85 ASP 1.705 0.129 8 0 "[ . 1 . 2]"
1 86 ARG 4.115 0.322 12 0 "[ . 1 . 2]"
1 87 PHE 1.432 0.082 12 0 "[ . 1 . 2]"
1 88 GLY 0.021 0.021 9 0 "[ . 1 . 2]"
1 89 VAL 0.204 0.082 10 0 "[ . 1 . 2]"
1 93 PRO 2.427 0.173 11 0 "[ . 1 . 2]"
1 94 ALA 1.908 0.173 11 0 "[ . 1 . 2]"
1 95 THR 0.268 0.106 11 0 "[ . 1 . 2]"
1 96 LEU 0.820 0.094 19 0 "[ . 1 . 2]"
1 97 VAL 0.076 0.044 19 0 "[ . 1 . 2]"
1 98 PHE 0.864 0.153 2 0 "[ . 1 . 2]"
1 99 THR 2.998 0.285 7 0 "[ . 1 . 2]"
1 100 GLY 1.545 0.285 7 0 "[ . 1 . 2]"
1 101 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 ASN 4.148 0.274 5 0 "[ . 1 . 2]"
1 103 TYR 1.873 0.240 2 0 "[ . 1 . 2]"
1 104 ARG 0.016 0.010 8 0 "[ . 1 . 2]"
1 105 GLY 0.025 0.015 8 0 "[ . 1 . 2]"
1 106 VAL 0.612 0.395 19 0 "[ . 1 . 2]"
1 107 LEU 0.527 0.232 18 0 "[ . 1 . 2]"
1 110 ILE 0.639 0.189 14 0 "[ . 1 . 2]"
1 112 PRO 0.711 0.119 18 0 "[ . 1 . 2]"
1 113 TRP 3.290 0.119 18 0 "[ . 1 . 2]"
1 114 ALA 0.201 0.050 4 0 "[ . 1 . 2]"
1 115 GLU 0.645 0.078 6 0 "[ . 1 . 2]"
1 116 LEU 0.493 0.100 2 0 "[ . 1 . 2]"
1 117 ILE 1.950 0.092 11 0 "[ . 1 . 2]"
1 118 ASN 4.324 0.245 15 0 "[ . 1 . 2]"
1 119 LEU 6.365 0.245 15 0 "[ . 1 . 2]"
1 120 MET 4.227 0.159 3 0 "[ . 1 . 2]"
1 121 ARG 3.528 0.351 9 0 "[ . 1 . 2]"
1 122 GLY 2.112 0.123 7 0 "[ . 1 . 2]"
1 123 LEU 1.031 0.069 8 0 "[ . 1 . 2]"
1 124 VAL 1.510 0.146 4 0 "[ . 1 . 2]"
1 125 GLU 3.348 0.342 7 0 "[ . 1 . 2]"
1 126 PRO 1.826 0.160 2 0 "[ . 1 . 2]"
1 127 GLN 11.102 0.352 7 0 "[ . 1 . 2]"
1 128 GLN 8.883 0.352 7 0 "[ . 1 . 2]"
1 129 GLU 1.614 0.286 17 0 "[ . 1 . 2]"
1 130 ARG 0.978 0.227 3 0 "[ . 1 . 2]"
1 131 ALA 0.742 0.227 3 0 "[ . 1 . 2]"
1 132 SER 0.088 0.088 2 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 ASN HA 1 4 ASP H . . 2.460 2.310 2.141 2.541 0.081 18 0 "[ . 1 . 2]" 1
2 1 3 ASN HB2 1 4 ASP H . . 5.500 4.139 3.120 4.632 . 0 0 "[ . 1 . 2]" 1
3 1 3 ASN HB3 1 4 ASP H . . 5.500 3.701 2.035 4.597 . 0 0 "[ . 1 . 2]" 1
4 1 4 ASP H 1 4 ASP QB . . 3.670 2.658 2.256 3.369 . 0 0 "[ . 1 . 2]" 1
5 1 4 ASP HA 1 5 THR H . . 3.080 2.416 2.063 3.202 0.122 9 0 "[ . 1 . 2]" 1
6 1 4 ASP HB2 1 5 THR H . . 4.230 4.043 3.218 4.438 0.208 20 0 "[ . 1 . 2]" 1
7 1 4 ASP HB3 1 5 THR H . . 4.230 3.912 2.991 4.467 0.237 6 0 "[ . 1 . 2]" 1
8 1 5 THR H 1 5 THR HB . . 3.830 3.138 2.979 3.673 . 0 0 "[ . 1 . 2]" 1
9 1 5 THR H 1 5 THR MG . . 4.790 3.991 3.629 4.064 . 0 0 "[ . 1 . 2]" 1
10 1 5 THR H 1 6 PRO QD . . 6.380 1.930 1.742 2.231 . 0 0 "[ . 1 . 2]" 1
11 1 5 THR H 1 8 ASP H . . 3.830 2.980 2.507 3.271 . 0 0 "[ . 1 . 2]" 1
12 1 5 THR H 1 8 ASP QB . . 4.520 3.131 2.743 3.590 . 0 0 "[ . 1 . 2]" 1
13 1 5 THR H 1 9 ALA H . . 4.410 4.511 4.338 4.655 0.245 18 0 "[ . 1 . 2]" 1
14 1 5 THR HA 1 5 THR HB . . 2.990 3.010 2.722 3.033 0.043 2 0 "[ . 1 . 2]" 1
15 1 5 THR HA 1 5 THR MG . . 3.460 2.366 2.155 2.559 . 0 0 "[ . 1 . 2]" 1
16 1 5 THR HA 1 9 ALA H . . 4.110 3.736 3.496 4.054 . 0 0 "[ . 1 . 2]" 1
17 1 5 THR HB 1 6 PRO QD . . 4.240 1.773 1.631 2.368 . 0 0 "[ . 1 . 2]" 1
18 1 5 THR MG 1 6 PRO QD . . 5.420 3.062 2.673 3.484 . 0 0 "[ . 1 . 2]" 1
19 1 6 PRO HA 1 8 ASP H . . 4.850 4.543 4.366 4.748 . 0 0 "[ . 1 . 2]" 1
20 1 6 PRO HA 1 9 ALA H . . 3.920 3.859 3.570 4.033 0.113 7 0 "[ . 1 . 2]" 1
21 1 6 PRO HA 1 9 ALA MB . . 4.110 3.104 2.579 3.491 . 0 0 "[ . 1 . 2]" 1
22 1 6 PRO QB 1 7 PHE H . . 4.310 2.438 1.930 3.107 . 0 0 "[ . 1 . 2]" 1
23 1 6 PRO HD2 1 7 PHE H . . 5.500 2.654 2.025 3.466 . 0 0 "[ . 1 . 2]" 1
24 1 6 PRO HD3 1 7 PHE H . . 5.500 3.933 3.591 4.293 . 0 0 "[ . 1 . 2]" 1
25 1 6 PRO QG 1 7 PHE H . . 4.620 2.732 1.777 3.509 . 0 0 "[ . 1 . 2]" 1
26 1 6 PRO HG2 1 7 PHE H . . 5.160 2.818 1.783 3.689 . 0 0 "[ . 1 . 2]" 1
27 1 6 PRO HG3 1 7 PHE H . . 5.160 3.966 3.410 4.393 . 0 0 "[ . 1 . 2]" 1
28 1 7 PHE H 1 7 PHE HB2 . . 3.640 2.697 2.462 3.605 . 0 0 "[ . 1 . 2]" 1
29 1 7 PHE H 1 7 PHE QB . . 3.410 2.292 2.237 2.633 . 0 0 "[ . 1 . 2]" 1
30 1 7 PHE H 1 7 PHE HB3 . . 3.640 2.511 2.396 2.706 . 0 0 "[ . 1 . 2]" 1
31 1 7 PHE H 1 8 ASP H . . 4.040 2.603 2.459 2.672 . 0 0 "[ . 1 . 2]" 1
32 1 7 PHE HA 1 10 LEU H . . 4.010 3.381 2.863 3.678 . 0 0 "[ . 1 . 2]" 1
33 1 7 PHE HA 1 10 LEU HB2 . . 3.490 2.347 1.788 2.835 . 0 0 "[ . 1 . 2]" 1
34 1 7 PHE HA 1 10 LEU HB3 . . 3.700 3.448 2.637 3.722 0.022 12 0 "[ . 1 . 2]" 1
35 1 7 PHE HA 1 11 TRP H . . 5.220 3.780 3.604 3.921 . 0 0 "[ . 1 . 2]" 1
36 1 7 PHE QB 1 8 ASP H . . 3.770 2.714 2.458 3.506 . 0 0 "[ . 1 . 2]" 1
37 1 7 PHE QB 1 10 LEU QD . . 7.860 4.852 3.505 5.359 . 0 0 "[ . 1 . 2]" 1
38 1 7 PHE QB 1 77 LEU QD . . 7.060 3.074 2.042 4.537 . 0 0 "[ . 1 . 2]" 1
39 1 7 PHE HB2 1 8 ASP H . . 4.010 3.915 3.778 4.002 . 0 0 "[ . 1 . 2]" 1
40 1 7 PHE HB2 1 77 LEU MD1 . . 8.950 3.866 2.209 5.415 . 0 0 "[ . 1 . 2]" 1
41 1 7 PHE HB2 1 77 LEU MD2 . . 8.950 4.492 2.084 7.440 . 0 0 "[ . 1 . 2]" 1
42 1 7 PHE HB3 1 8 ASP H . . 4.010 2.807 2.488 4.082 0.072 19 0 "[ . 1 . 2]" 1
43 1 7 PHE HB3 1 77 LEU MD1 . . 8.950 4.248 2.194 6.243 . 0 0 "[ . 1 . 2]" 1
44 1 7 PHE HB3 1 77 LEU MD2 . . 8.950 4.891 3.121 7.749 . 0 0 "[ . 1 . 2]" 1
45 1 7 PHE QD 1 8 ASP H . . 7.620 3.572 3.182 3.988 . 0 0 "[ . 1 . 2]" 1
46 1 7 PHE QD 1 10 LEU QD . . 9.200 4.828 3.317 6.103 . 0 0 "[ . 1 . 2]" 1
47 1 7 PHE QD 1 11 TRP HB2 . . 5.950 3.890 2.988 4.412 . 0 0 "[ . 1 . 2]" 1
48 1 7 PHE QD 1 76 ASP HA . . 7.280 5.800 4.590 7.377 0.097 19 0 "[ . 1 . 2]" 1
49 1 7 PHE QD 1 77 LEU MD1 . . 8.250 3.302 1.821 4.356 . 0 0 "[ . 1 . 2]" 1
50 1 7 PHE QD 1 77 LEU QD . . 8.000 3.025 1.696 4.289 . 0 0 "[ . 1 . 2]" 1
51 1 7 PHE QD 1 77 LEU MD2 . . 8.250 3.979 2.023 6.427 . 0 0 "[ . 1 . 2]" 1
52 1 8 ASP H 1 8 ASP HB2 . . 3.270 2.401 2.261 2.529 . 0 0 "[ . 1 . 2]" 1
53 1 8 ASP H 1 8 ASP HB3 . . 3.270 2.619 2.500 2.794 . 0 0 "[ . 1 . 2]" 1
54 1 8 ASP H 1 9 ALA H . . 3.520 2.787 2.703 2.884 . 0 0 "[ . 1 . 2]" 1
55 1 8 ASP H 1 9 ALA MB . . 6.530 4.431 4.292 4.551 . 0 0 "[ . 1 . 2]" 1
56 1 8 ASP HA 1 11 TRP H . . 3.760 3.757 3.512 3.878 0.118 5 0 "[ . 1 . 2]" 1
57 1 8 ASP HA 1 12 GLN H . . 4.140 4.087 3.922 4.208 0.068 19 0 "[ . 1 . 2]" 1
58 1 8 ASP QB 1 9 ALA H . . 3.110 2.138 2.092 2.233 . 0 0 "[ . 1 . 2]" 1
59 1 8 ASP QB 1 9 ALA MB . . 6.260 3.561 3.496 3.624 . 0 0 "[ . 1 . 2]" 1
60 1 8 ASP HB2 1 9 ALA H . . 3.300 3.530 3.433 3.575 0.275 13 0 "[ . 1 . 2]" 1
61 1 8 ASP HB3 1 9 ALA H . . 3.300 2.156 2.107 2.258 . 0 0 "[ . 1 . 2]" 1
62 1 9 ALA H 1 9 ALA MB . . 3.430 2.251 2.240 2.267 . 0 0 "[ . 1 . 2]" 1
63 1 9 ALA H 1 10 LEU H . . 3.170 2.747 2.674 2.836 . 0 0 "[ . 1 . 2]" 1
64 1 9 ALA H 1 10 LEU HB2 . . 4.570 4.538 4.453 4.632 0.062 1 0 "[ . 1 . 2]" 1
65 1 9 ALA H 1 11 TRP H . . 4.690 4.301 4.074 4.566 . 0 0 "[ . 1 . 2]" 1
66 1 9 ALA HA 1 12 GLN H . . 3.830 3.548 3.229 3.755 . 0 0 "[ . 1 . 2]" 1
67 1 9 ALA HA 1 12 GLN HB2 . . 4.010 2.612 2.404 4.176 0.166 3 0 "[ . 1 . 2]" 1
68 1 9 ALA HA 1 12 GLN QB . . 3.760 2.522 2.386 2.907 . 0 0 "[ . 1 . 2]" 1
69 1 9 ALA HA 1 12 GLN HB3 . . 4.010 3.946 2.967 4.120 0.110 11 0 "[ . 1 . 2]" 1
70 1 9 ALA HA 1 12 GLN HG2 . . 4.570 3.794 1.781 4.671 0.101 8 0 "[ . 1 . 2]" 1
71 1 9 ALA HA 1 12 GLN QG . . 4.340 3.210 1.763 3.720 . 0 0 "[ . 1 . 2]" 1
72 1 9 ALA HA 1 12 GLN HG3 . . 4.570 3.539 2.804 4.060 . 0 0 "[ . 1 . 2]" 1
73 1 9 ALA HA 1 13 ARG H . . 4.410 4.169 3.914 4.323 . 0 0 "[ . 1 . 2]" 1
74 1 9 ALA MB 1 10 LEU H . . 3.950 2.487 2.377 2.670 . 0 0 "[ . 1 . 2]" 1
75 1 9 ALA MB 1 10 LEU HA . . 5.040 3.820 3.755 3.918 . 0 0 "[ . 1 . 2]" 1
76 1 9 ALA MB 1 12 GLN QB . . 5.800 3.906 3.724 4.305 . 0 0 "[ . 1 . 2]" 1
77 1 10 LEU H 1 10 LEU HB2 . . 2.740 2.090 2.008 2.351 . 0 0 "[ . 1 . 2]" 1
78 1 10 LEU H 1 10 LEU HB3 . . 3.360 3.334 2.987 3.522 0.162 1 0 "[ . 1 . 2]" 1
79 1 10 LEU H 1 10 LEU MD1 . . 5.780 4.052 3.608 4.298 . 0 0 "[ . 1 . 2]" 1
80 1 10 LEU H 1 10 LEU QD . . 5.110 2.741 2.468 3.286 . 0 0 "[ . 1 . 2]" 1
81 1 10 LEU H 1 10 LEU MD2 . . 5.780 2.800 2.493 3.410 . 0 0 "[ . 1 . 2]" 1
82 1 10 LEU H 1 10 LEU HG . . 4.260 4.101 2.346 4.358 0.098 17 0 "[ . 1 . 2]" 1
83 1 10 LEU H 1 11 TRP H . . 3.240 2.773 2.596 2.918 . 0 0 "[ . 1 . 2]" 1
84 1 10 LEU HA 1 10 LEU HB3 . . 2.930 2.784 2.536 2.944 0.014 6 0 "[ . 1 . 2]" 1
85 1 10 LEU HA 1 10 LEU MD1 . . 4.390 2.129 1.838 3.828 . 0 0 "[ . 1 . 2]" 1
86 1 10 LEU HA 1 10 LEU QD . . 3.610 1.826 1.770 1.941 . 0 0 "[ . 1 . 2]" 1
87 1 10 LEU HA 1 10 LEU MD2 . . 4.390 2.140 1.807 2.379 . 0 0 "[ . 1 . 2]" 1
88 1 10 LEU HA 1 10 LEU HG . . 3.700 3.599 3.005 3.660 . 0 0 "[ . 1 . 2]" 1
89 1 10 LEU HA 1 13 ARG H . . 3.730 3.546 3.284 3.757 0.027 10 0 "[ . 1 . 2]" 1
90 1 10 LEU HA 1 13 ARG HB2 . . 3.420 2.975 2.562 3.251 . 0 0 "[ . 1 . 2]" 1
91 1 10 LEU HA 1 13 ARG QD . . 6.380 4.283 2.511 5.465 . 0 0 "[ . 1 . 2]" 1
92 1 10 LEU HA 1 13 ARG HG2 . . 5.030 3.555 2.524 5.080 0.050 10 0 "[ . 1 . 2]" 1
93 1 10 LEU HA 1 13 ARG QG . . 4.410 2.928 2.385 3.606 . 0 0 "[ . 1 . 2]" 1
94 1 10 LEU HA 1 13 ARG HG3 . . 5.030 3.236 2.591 3.913 . 0 0 "[ . 1 . 2]" 1
95 1 10 LEU HB2 1 11 TRP H . . 3.020 2.934 2.515 3.145 0.125 6 0 "[ . 1 . 2]" 1
96 1 10 LEU HB3 1 11 TRP H . . 4.070 2.885 2.274 3.384 . 0 0 "[ . 1 . 2]" 1
97 1 10 LEU QD 1 11 TRP H . . 6.030 3.906 3.583 4.045 . 0 0 "[ . 1 . 2]" 1
98 1 10 LEU QD 1 13 ARG H . . 6.180 4.348 4.141 4.799 . 0 0 "[ . 1 . 2]" 1
99 1 10 LEU QD 1 14 MET H . . 6.730 4.238 3.761 5.093 . 0 0 "[ . 1 . 2]" 1
100 1 10 LEU QD 1 14 MET ME . . 6.920 3.902 2.604 5.007 . 0 0 "[ . 1 . 2]" 1
101 1 10 LEU QD 1 51 VAL QG . . 5.520 2.522 1.769 3.721 . 0 0 "[ . 1 . 2]" 1
102 1 10 LEU QD 1 52 SER H . . 6.640 3.381 1.940 4.979 . 0 0 "[ . 1 . 2]" 1
103 1 10 LEU QD 1 52 SER HA . . 3.850 2.530 1.762 3.699 . 0 0 "[ . 1 . 2]" 1
104 1 10 LEU QD 1 52 SER QB . . 5.350 2.596 1.760 4.908 . 0 0 "[ . 1 . 2]" 1
105 1 10 LEU MD1 1 11 TRP H . . 6.400 4.358 3.759 4.601 . 0 0 "[ . 1 . 2]" 1
106 1 10 LEU MD1 1 51 VAL MG1 . . 6.560 3.094 1.805 4.775 . 0 0 "[ . 1 . 2]" 1
107 1 10 LEU MD1 1 51 VAL MG2 . . 6.560 4.758 3.026 6.551 . 0 0 "[ . 1 . 2]" 1
108 1 10 LEU MD1 1 52 SER HA . . 4.260 2.719 1.790 4.126 . 0 0 "[ . 1 . 2]" 1
109 1 10 LEU MD1 1 52 SER HB2 . . 6.600 3.694 1.830 6.620 0.020 18 0 "[ . 1 . 2]" 1
110 1 10 LEU MD1 1 52 SER HB3 . . 6.600 4.134 1.861 6.008 . 0 0 "[ . 1 . 2]" 1
111 1 10 LEU MD2 1 11 TRP H . . 6.400 4.451 4.289 4.637 . 0 0 "[ . 1 . 2]" 1
112 1 10 LEU MD2 1 51 VAL MG1 . . 6.560 3.190 1.988 5.171 . 0 0 "[ . 1 . 2]" 1
113 1 10 LEU MD2 1 51 VAL MG2 . . 6.560 4.149 2.943 6.141 . 0 0 "[ . 1 . 2]" 1
114 1 10 LEU MD2 1 52 SER HA . . 4.260 3.335 1.847 4.325 0.065 6 0 "[ . 1 . 2]" 1
115 1 10 LEU MD2 1 52 SER HB2 . . 6.600 3.263 1.862 6.669 0.069 18 0 "[ . 1 . 2]" 1
116 1 10 LEU MD2 1 52 SER HB3 . . 6.600 3.828 1.939 6.310 . 0 0 "[ . 1 . 2]" 1
117 1 11 TRP H 1 11 TRP HB2 . . 3.020 2.246 2.105 2.431 . 0 0 "[ . 1 . 2]" 1
118 1 11 TRP H 1 11 TRP HB3 . . 3.170 2.908 2.634 3.145 . 0 0 "[ . 1 . 2]" 1
119 1 11 TRP H 1 11 TRP HD1 . . 5.500 4.480 4.103 4.746 . 0 0 "[ . 1 . 2]" 1
120 1 11 TRP H 1 12 GLN H . . 3.700 2.634 2.531 2.730 . 0 0 "[ . 1 . 2]" 1
121 1 11 TRP H 1 14 MET ME . . 6.000 4.898 3.638 6.032 0.032 17 0 "[ . 1 . 2]" 1
122 1 11 TRP HA 1 14 MET ME . . 4.260 2.971 1.978 4.141 . 0 0 "[ . 1 . 2]" 1
123 1 11 TRP HB2 1 12 GLN H . . 3.550 3.564 3.295 3.658 0.108 11 0 "[ . 1 . 2]" 1
124 1 11 TRP HB3 1 12 GLN H . . 3.450 2.658 2.315 3.011 . 0 0 "[ . 1 . 2]" 1
125 1 11 TRP HD1 1 14 MET ME . . 4.330 2.427 1.765 4.047 . 0 0 "[ . 1 . 2]" 1
126 1 11 TRP HD1 1 15 LEU HG . . 5.500 5.391 4.416 5.601 0.101 17 0 "[ . 1 . 2]" 1
127 1 11 TRP HD1 1 74 ILE MD . . 4.390 2.529 1.975 3.493 . 0 0 "[ . 1 . 2]" 1
128 1 11 TRP HD1 1 74 ILE MG . . 4.570 4.223 3.772 4.620 0.050 16 0 "[ . 1 . 2]" 1
129 1 11 TRP HE1 1 15 LEU MD1 . . 5.190 5.079 4.775 5.230 0.040 1 0 "[ . 1 . 2]" 1
130 1 11 TRP HE1 1 15 LEU QD . . 4.450 3.076 2.339 4.434 . 0 0 "[ . 1 . 2]" 1
131 1 11 TRP HE1 1 15 LEU MD2 . . 5.190 3.128 2.343 4.803 . 0 0 "[ . 1 . 2]" 1
132 1 11 TRP HH2 1 21 PRO HA . . 5.500 5.416 4.726 5.544 0.044 19 0 "[ . 1 . 2]" 1
133 1 11 TRP HH2 1 21 PRO HB2 . . 4.230 3.850 3.166 4.276 0.046 17 0 "[ . 1 . 2]" 1
134 1 11 TRP HH2 1 21 PRO HB3 . . 4.230 3.655 2.557 4.256 0.026 11 0 "[ . 1 . 2]" 1
135 1 11 TRP HH2 1 76 ASP H . . 4.480 4.483 4.113 4.548 0.068 13 0 "[ . 1 . 2]" 1
136 1 11 TRP HH2 1 76 ASP QB . . 6.380 3.479 2.455 4.810 . 0 0 "[ . 1 . 2]" 1
137 1 11 TRP HZ2 1 15 LEU QD . . 8.100 3.811 3.363 4.304 . 0 0 "[ . 1 . 2]" 1
138 1 11 TRP HZ2 1 21 PRO HB2 . . 4.720 3.155 2.550 4.307 . 0 0 "[ . 1 . 2]" 1
139 1 11 TRP HZ2 1 21 PRO QG . . 4.770 3.811 3.052 4.362 . 0 0 "[ . 1 . 2]" 1
140 1 11 TRP HZ2 1 74 ILE MD . . 5.630 4.161 3.697 4.664 . 0 0 "[ . 1 . 2]" 1
141 1 12 GLN H 1 12 GLN HB2 . . 3.420 2.366 2.064 3.546 0.126 3 0 "[ . 1 . 2]" 1
142 1 12 GLN H 1 12 GLN QB . . 3.160 2.275 2.035 2.416 . 0 0 "[ . 1 . 2]" 1
143 1 12 GLN H 1 12 GLN HB3 . . 3.420 3.453 2.328 3.565 0.145 11 0 "[ . 1 . 2]" 1
144 1 12 GLN H 1 12 GLN HG2 . . 4.320 2.653 2.250 3.828 . 0 0 "[ . 1 . 2]" 1
145 1 12 GLN H 1 12 GLN QG . . 3.670 2.525 2.231 3.599 . 0 0 "[ . 1 . 2]" 1
146 1 12 GLN H 1 12 GLN HG3 . . 4.320 3.662 2.315 4.376 0.056 14 0 "[ . 1 . 2]" 1
147 1 12 GLN H 1 13 ARG H . . 3.270 2.735 2.647 2.807 . 0 0 "[ . 1 . 2]" 1
148 1 12 GLN HA 1 12 GLN QG . . 4.000 2.758 2.315 3.423 . 0 0 "[ . 1 . 2]" 1
149 1 12 GLN HA 1 13 ARG H . . 3.550 3.529 3.510 3.557 0.007 5 0 "[ . 1 . 2]" 1
150 1 12 GLN HA 1 14 MET H . . 4.760 4.699 4.540 4.797 0.037 14 0 "[ . 1 . 2]" 1
151 1 12 GLN HA 1 15 LEU H . . 3.830 3.421 3.115 3.647 . 0 0 "[ . 1 . 2]" 1
152 1 12 GLN HA 1 15 LEU HB2 . . 3.830 2.366 1.810 3.112 . 0 0 "[ . 1 . 2]" 1
153 1 12 GLN HA 1 15 LEU QB . . 3.650 2.310 1.798 2.804 . 0 0 "[ . 1 . 2]" 1
154 1 12 GLN HA 1 15 LEU HB3 . . 3.830 3.505 2.435 3.900 0.070 9 0 "[ . 1 . 2]" 1
155 1 12 GLN HA 1 15 LEU QD . . 5.830 3.466 1.971 4.341 . 0 0 "[ . 1 . 2]" 1
156 1 12 GLN HA 1 15 LEU HG . . 5.500 3.743 2.994 4.374 . 0 0 "[ . 1 . 2]" 1
157 1 12 GLN HA 1 16 ALA H . . 4.450 4.114 3.623 4.401 . 0 0 "[ . 1 . 2]" 1
158 1 12 GLN QB 1 13 ARG H . . 3.780 2.702 2.390 3.476 . 0 0 "[ . 1 . 2]" 1
159 1 12 GLN HB2 1 13 ARG H . . 3.950 2.861 2.593 4.007 0.057 3 0 "[ . 1 . 2]" 1
160 1 12 GLN HB3 1 13 ARG H . . 3.950 3.482 2.467 3.814 . 0 0 "[ . 1 . 2]" 1
161 1 12 GLN QE 1 13 ARG QG . . 7.240 5.745 4.071 6.562 . 0 0 "[ . 1 . 2]" 1
162 1 12 GLN QE 1 15 LEU QD . . 6.750 4.243 3.127 5.968 . 0 0 "[ . 1 . 2]" 1
163 1 12 GLN HE21 1 15 LEU MD1 . . 8.430 5.624 3.793 8.029 . 0 0 "[ . 1 . 2]" 1
164 1 12 GLN HE21 1 15 LEU MD2 . . 8.430 5.611 4.027 6.833 . 0 0 "[ . 1 . 2]" 1
165 1 12 GLN HE22 1 15 LEU MD1 . . 8.430 5.204 3.379 8.484 0.054 8 0 "[ . 1 . 2]" 1
166 1 12 GLN HE22 1 15 LEU MD2 . . 8.430 5.686 4.466 8.180 . 0 0 "[ . 1 . 2]" 1
167 1 12 GLN QG 1 15 LEU QD . . 7.990 4.811 3.211 5.676 . 0 0 "[ . 1 . 2]" 1
168 1 12 GLN HG2 1 13 ARG H . . 5.500 4.583 3.620 5.018 . 0 0 "[ . 1 . 2]" 1
169 1 12 GLN HG3 1 13 ARG H . . 5.500 4.893 1.958 5.211 . 0 0 "[ . 1 . 2]" 1
170 1 13 ARG H 1 13 ARG HB2 . . 2.900 2.471 2.407 2.570 . 0 0 "[ . 1 . 2]" 1
171 1 13 ARG H 1 13 ARG HB3 . . 3.580 3.595 3.584 3.612 0.032 5 0 "[ . 1 . 2]" 1
172 1 13 ARG H 1 13 ARG HD2 . . 5.440 4.178 3.229 4.827 . 0 0 "[ . 1 . 2]" 1
173 1 13 ARG H 1 13 ARG QD . . 4.990 3.611 3.114 4.200 . 0 0 "[ . 1 . 2]" 1
174 1 13 ARG H 1 13 ARG HD3 . . 5.440 4.201 3.222 4.906 . 0 0 "[ . 1 . 2]" 1
175 1 13 ARG H 1 13 ARG HG2 . . 3.760 2.583 2.074 3.549 . 0 0 "[ . 1 . 2]" 1
176 1 13 ARG H 1 13 ARG QG . . 3.350 2.265 2.059 2.394 . 0 0 "[ . 1 . 2]" 1
177 1 13 ARG H 1 13 ARG HG3 . . 3.760 3.321 2.180 3.799 0.039 5 0 "[ . 1 . 2]" 1
178 1 13 ARG H 1 14 MET H . . 3.020 2.771 2.642 2.881 . 0 0 "[ . 1 . 2]" 1
179 1 13 ARG HA 1 13 ARG HB2 . . 3.050 3.021 3.014 3.029 . 0 0 "[ . 1 . 2]" 1
180 1 13 ARG HA 1 13 ARG HD2 . . 4.790 3.202 1.928 4.846 0.056 14 0 "[ . 1 . 2]" 1
181 1 13 ARG HA 1 13 ARG QD . . 4.520 2.608 1.800 4.182 . 0 0 "[ . 1 . 2]" 1
182 1 13 ARG HA 1 13 ARG HD3 . . 4.790 3.202 1.814 4.570 . 0 0 "[ . 1 . 2]" 1
183 1 13 ARG HA 1 13 ARG HG2 . . 3.760 2.901 2.451 3.213 . 0 0 "[ . 1 . 2]" 1
184 1 13 ARG HA 1 13 ARG QG . . 3.600 2.779 2.365 3.042 . 0 0 "[ . 1 . 2]" 1
185 1 13 ARG HA 1 13 ARG HG3 . . 3.760 3.574 2.977 3.813 0.053 2 0 "[ . 1 . 2]" 1
186 1 13 ARG HA 1 15 LEU H . . 4.260 4.330 4.287 4.381 0.121 5 0 "[ . 1 . 2]" 1
187 1 13 ARG HA 1 16 ALA MB . . 3.740 2.938 2.520 3.349 . 0 0 "[ . 1 . 2]" 1
188 1 13 ARG HB2 1 14 MET H . . 4.570 2.330 2.197 2.437 . 0 0 "[ . 1 . 2]" 1
189 1 13 ARG HB3 1 14 MET H . . 3.300 3.329 3.213 3.405 0.105 14 0 "[ . 1 . 2]" 1
190 1 13 ARG QG 1 14 MET H . . 4.710 3.955 3.774 4.059 . 0 0 "[ . 1 . 2]" 1
191 1 13 ARG HG2 1 14 MET H . . 5.500 4.404 4.069 4.873 . 0 0 "[ . 1 . 2]" 1
192 1 13 ARG HG3 1 14 MET H . . 5.500 4.572 4.120 4.824 . 0 0 "[ . 1 . 2]" 1
193 1 14 MET H 1 14 MET HB2 . . 3.550 2.598 2.315 3.632 0.082 5 0 "[ . 1 . 2]" 1
194 1 14 MET H 1 14 MET QB . . 3.180 2.461 2.287 2.659 . 0 0 "[ . 1 . 2]" 1
195 1 14 MET H 1 14 MET HB3 . . 3.550 3.493 2.727 3.601 0.051 13 0 "[ . 1 . 2]" 1
196 1 14 MET H 1 14 MET ME . . 5.470 4.084 2.892 4.639 . 0 0 "[ . 1 . 2]" 1
197 1 14 MET H 1 14 MET HG2 . . 5.500 3.272 2.042 4.089 . 0 0 "[ . 1 . 2]" 1
198 1 14 MET H 1 14 MET HG3 . . 5.500 2.335 1.907 3.630 . 0 0 "[ . 1 . 2]" 1
199 1 14 MET H 1 15 LEU H . . 3.800 2.669 2.513 2.784 . 0 0 "[ . 1 . 2]" 1
200 1 14 MET HA 1 17 ARG H . . 4.660 3.544 3.237 3.924 . 0 0 "[ . 1 . 2]" 1
201 1 14 MET HA 1 17 ARG QB . . 4.800 3.243 2.685 4.361 . 0 0 "[ . 1 . 2]" 1
202 1 14 MET HA 1 17 ARG QG . . 4.770 2.802 2.070 3.617 . 0 0 "[ . 1 . 2]" 1
203 1 14 MET QB 1 15 LEU H . . 4.340 2.769 2.560 3.609 . 0 0 "[ . 1 . 2]" 1
204 1 14 MET QB 1 74 ILE MD . . 4.960 2.406 1.780 3.586 . 0 0 "[ . 1 . 2]" 1
205 1 14 MET QB 1 74 ILE MG . . 5.950 2.867 2.034 3.670 . 0 0 "[ . 1 . 2]" 1
206 1 14 MET HB2 1 15 LEU H . . 4.910 2.863 2.607 3.942 . 0 0 "[ . 1 . 2]" 1
207 1 14 MET HB2 1 74 ILE MD . . 5.160 2.858 2.438 3.713 . 0 0 "[ . 1 . 2]" 1
208 1 14 MET HB3 1 15 LEU H . . 4.910 3.779 3.620 4.186 . 0 0 "[ . 1 . 2]" 1
209 1 14 MET HB3 1 74 ILE MD . . 5.160 2.663 1.819 4.736 . 0 0 "[ . 1 . 2]" 1
210 1 14 MET ME 1 19 TRP HE3 . . 5.070 3.476 2.272 4.770 . 0 0 "[ . 1 . 2]" 1
211 1 14 MET ME 1 19 TRP HZ3 . . 4.700 3.782 2.231 4.729 0.029 12 0 "[ . 1 . 2]" 1
212 1 14 MET ME 1 40 LEU QB . . 4.370 3.122 2.211 3.719 . 0 0 "[ . 1 . 2]" 1
213 1 14 MET ME 1 40 LEU MD1 . . 7.150 4.085 2.022 4.880 . 0 0 "[ . 1 . 2]" 1
214 1 14 MET ME 1 40 LEU QD . . 6.610 2.768 1.791 3.397 . 0 0 "[ . 1 . 2]" 1
215 1 14 MET ME 1 40 LEU MD2 . . 7.150 2.904 1.800 3.736 . 0 0 "[ . 1 . 2]" 1
216 1 14 MET ME 1 40 LEU HG . . 5.600 5.104 4.158 5.664 0.064 1 0 "[ . 1 . 2]" 1
217 1 14 MET ME 1 74 ILE HB . . 3.800 2.764 1.908 3.769 . 0 0 "[ . 1 . 2]" 1
218 1 14 MET ME 1 74 ILE MD . . 5.540 2.400 2.051 3.362 . 0 0 "[ . 1 . 2]" 1
219 1 14 MET ME 1 74 ILE MG . . 6.010 2.335 1.779 2.998 . 0 0 "[ . 1 . 2]" 1
220 1 15 LEU H 1 15 LEU HB2 . . 3.640 2.128 2.032 2.339 . 0 0 "[ . 1 . 2]" 1
221 1 15 LEU H 1 15 LEU QB . . 3.380 2.104 2.008 2.310 . 0 0 "[ . 1 . 2]" 1
222 1 15 LEU H 1 15 LEU HB3 . . 3.640 3.348 2.828 3.577 . 0 0 "[ . 1 . 2]" 1
223 1 15 LEU H 1 15 LEU MD1 . . 4.730 4.084 3.642 4.323 . 0 0 "[ . 1 . 2]" 1
224 1 15 LEU H 1 15 LEU QD . . 4.400 2.803 2.457 3.455 . 0 0 "[ . 1 . 2]" 1
225 1 15 LEU H 1 15 LEU MD2 . . 4.730 2.890 2.479 3.710 . 0 0 "[ . 1 . 2]" 1
226 1 15 LEU H 1 15 LEU HG . . 4.290 4.021 2.538 4.437 0.147 1 0 "[ . 1 . 2]" 1
227 1 15 LEU H 1 16 ALA H . . 3.390 2.607 2.498 2.727 . 0 0 "[ . 1 . 2]" 1
228 1 15 LEU H 1 74 ILE MD . . 4.950 3.823 3.334 4.145 . 0 0 "[ . 1 . 2]" 1
229 1 15 LEU HA 1 15 LEU MD1 . . 4.080 2.290 1.927 3.839 . 0 0 "[ . 1 . 2]" 1
230 1 15 LEU HA 1 15 LEU QD . . 3.430 1.866 1.778 1.986 . 0 0 "[ . 1 . 2]" 1
231 1 15 LEU HA 1 15 LEU MD2 . . 4.080 2.098 1.808 2.296 . 0 0 "[ . 1 . 2]" 1
232 1 15 LEU HA 1 18 GLY H . . 3.800 3.617 3.345 3.877 0.077 1 0 "[ . 1 . 2]" 1
233 1 15 LEU HA 1 19 TRP HE3 . . 5.410 5.112 4.485 5.443 0.033 8 0 "[ . 1 . 2]" 1
234 1 15 LEU HA 1 74 ILE MD . . 5.070 3.101 2.293 3.568 . 0 0 "[ . 1 . 2]" 1
235 1 15 LEU QB 1 16 ALA H . . 3.300 2.739 2.410 3.017 . 0 0 "[ . 1 . 2]" 1
236 1 15 LEU HB2 1 16 ALA H . . 3.580 3.066 2.761 3.593 0.013 10 0 "[ . 1 . 2]" 1
237 1 15 LEU HB3 1 16 ALA H . . 3.580 3.177 2.458 3.617 0.037 3 0 "[ . 1 . 2]" 1
238 1 15 LEU QD 1 16 ALA H . . 5.320 3.982 3.566 4.163 . 0 0 "[ . 1 . 2]" 1
239 1 15 LEU QD 1 74 ILE MD . . 6.440 1.875 1.765 2.139 . 0 0 "[ . 1 . 2]" 1
240 1 15 LEU MD1 1 16 ALA H . . 5.850 4.511 3.709 4.677 . 0 0 "[ . 1 . 2]" 1
241 1 15 LEU MD1 1 74 ILE MD . . 7.560 3.329 2.577 4.099 . 0 0 "[ . 1 . 2]" 1
242 1 15 LEU MD2 1 16 ALA H . . 5.850 4.468 4.258 4.723 . 0 0 "[ . 1 . 2]" 1
243 1 15 LEU MD2 1 74 ILE MD . . 7.560 1.888 1.770 2.146 . 0 0 "[ . 1 . 2]" 1
244 1 15 LEU HG 1 16 ALA H . . 5.500 5.145 4.530 5.483 . 0 0 "[ . 1 . 2]" 1
245 1 16 ALA H 1 16 ALA HA . . 2.870 2.818 2.790 2.837 . 0 0 "[ . 1 . 2]" 1
246 1 16 ALA H 1 16 ALA MB . . 3.430 2.234 2.222 2.247 . 0 0 "[ . 1 . 2]" 1
247 1 16 ALA H 1 17 ARG H . . 3.390 2.629 2.532 2.758 . 0 0 "[ . 1 . 2]" 1
248 1 16 ALA H 1 18 GLY H . . 4.690 4.106 3.979 4.223 . 0 0 "[ . 1 . 2]" 1
249 1 16 ALA HA 1 17 ARG H . . 3.550 3.461 3.384 3.535 . 0 0 "[ . 1 . 2]" 1
250 1 16 ALA HA 1 18 GLY H . . 4.970 3.631 3.457 4.015 . 0 0 "[ . 1 . 2]" 1
251 1 16 ALA MB 1 17 ARG H . . 4.110 2.887 2.695 3.130 . 0 0 "[ . 1 . 2]" 1
252 1 16 ALA MB 1 18 GLY H . . 5.160 4.319 4.236 4.565 . 0 0 "[ . 1 . 2]" 1
253 1 17 ARG H 1 17 ARG HB2 . . 3.730 2.458 2.317 2.567 . 0 0 "[ . 1 . 2]" 1
254 1 17 ARG H 1 17 ARG QB . . 3.320 2.419 2.289 2.516 . 0 0 "[ . 1 . 2]" 1
255 1 17 ARG H 1 17 ARG HB3 . . 3.730 3.600 3.557 3.632 . 0 0 "[ . 1 . 2]" 1
256 1 17 ARG H 1 17 ARG HD2 . . 4.540 4.129 3.290 4.670 0.130 3 0 "[ . 1 . 2]" 1
257 1 17 ARG H 1 17 ARG QD . . 4.120 3.568 3.179 4.012 . 0 0 "[ . 1 . 2]" 1
258 1 17 ARG H 1 17 ARG HD3 . . 4.540 4.153 3.493 4.711 0.171 1 0 "[ . 1 . 2]" 1
259 1 17 ARG H 1 17 ARG HG2 . . 3.700 2.504 2.237 3.563 . 0 0 "[ . 1 . 2]" 1
260 1 17 ARG H 1 17 ARG QG . . 3.520 2.319 2.218 2.498 . 0 0 "[ . 1 . 2]" 1
261 1 17 ARG H 1 17 ARG HG3 . . 3.700 3.517 2.278 3.804 0.104 16 0 "[ . 1 . 2]" 1
262 1 17 ARG H 1 18 GLY H . . 3.300 2.524 2.403 2.644 . 0 0 "[ . 1 . 2]" 1
263 1 17 ARG H 1 19 TRP H . . 4.170 3.784 3.518 4.181 0.011 9 0 "[ . 1 . 2]" 1
264 1 17 ARG HA 1 17 ARG HB2 . . 3.050 3.018 3.008 3.024 . 0 0 "[ . 1 . 2]" 1
265 1 17 ARG HA 1 17 ARG HB3 . . 3.050 2.475 2.422 2.542 . 0 0 "[ . 1 . 2]" 1
266 1 17 ARG HA 1 17 ARG HG2 . . 3.730 2.993 2.493 3.261 . 0 0 "[ . 1 . 2]" 1
267 1 17 ARG HA 1 17 ARG QG . . 3.560 2.861 2.413 3.074 . 0 0 "[ . 1 . 2]" 1
268 1 17 ARG HA 1 17 ARG HG3 . . 3.730 3.647 3.017 3.774 0.044 7 0 "[ . 1 . 2]" 1
269 1 17 ARG HA 1 18 GLY H . . 3.520 3.356 3.243 3.498 . 0 0 "[ . 1 . 2]" 1
270 1 17 ARG QB 1 19 TRP H . . 5.140 3.299 3.026 3.976 . 0 0 "[ . 1 . 2]" 1
271 1 17 ARG QB 1 19 TRP HE1 . . 5.600 3.535 2.915 4.447 . 0 0 "[ . 1 . 2]" 1
272 1 17 ARG HB2 1 17 ARG HD2 . . 4.070 3.678 2.520 4.157 0.087 7 0 "[ . 1 . 2]" 1
273 1 17 ARG HB2 1 17 ARG HD3 . . 4.070 3.761 2.576 4.207 0.137 9 0 "[ . 1 . 2]" 1
274 1 17 ARG HB3 1 17 ARG HD2 . . 4.070 2.977 2.335 3.656 . 0 0 "[ . 1 . 2]" 1
275 1 17 ARG HB3 1 17 ARG HD3 . . 4.070 3.237 2.359 3.777 . 0 0 "[ . 1 . 2]" 1
276 1 17 ARG QG 1 19 TRP H . . 5.700 4.960 4.758 5.490 . 0 0 "[ . 1 . 2]" 1
277 1 18 GLY H 1 19 TRP H . . 3.080 2.306 2.097 2.512 . 0 0 "[ . 1 . 2]" 1
278 1 19 TRP H 1 19 TRP HB2 . . 3.760 2.459 2.366 2.593 . 0 0 "[ . 1 . 2]" 1
279 1 19 TRP H 1 19 TRP QB . . 3.340 2.422 2.335 2.547 . 0 0 "[ . 1 . 2]" 1
280 1 19 TRP H 1 19 TRP HB3 . . 3.760 3.637 3.577 3.738 . 0 0 "[ . 1 . 2]" 1
281 1 19 TRP H 1 19 TRP HD1 . . 3.890 3.544 3.024 3.927 0.037 9 0 "[ . 1 . 2]" 1
282 1 19 TRP H 1 20 THR H . . 4.410 4.480 4.344 4.569 0.159 12 0 "[ . 1 . 2]" 1
283 1 19 TRP HA 1 19 TRP HD1 . . 4.480 2.188 2.078 2.279 . 0 0 "[ . 1 . 2]" 1
284 1 19 TRP HA 1 19 TRP HE1 . . 5.500 4.685 4.597 4.759 . 0 0 "[ . 1 . 2]" 1
285 1 19 TRP HA 1 20 THR H . . 3.210 2.254 2.116 2.645 . 0 0 "[ . 1 . 2]" 1
286 1 19 TRP QB 1 20 THR H . . 5.170 2.852 1.975 3.378 . 0 0 "[ . 1 . 2]" 1
287 1 19 TRP QB 1 72 VAL QG . . 7.700 2.868 2.359 3.558 . 0 0 "[ . 1 . 2]" 1
288 1 19 TRP QB 1 74 ILE MD . . 5.700 2.242 1.933 2.646 . 0 0 "[ . 1 . 2]" 1
289 1 19 TRP QB 1 74 ILE MG . . 5.050 2.611 2.080 3.534 . 0 0 "[ . 1 . 2]" 1
290 1 19 TRP HB2 1 74 ILE MD . . 5.910 2.358 1.966 2.760 . 0 0 "[ . 1 . 2]" 1
291 1 19 TRP HB2 1 74 ILE MG . . 5.190 3.305 2.609 4.295 . 0 0 "[ . 1 . 2]" 1
292 1 19 TRP HB3 1 74 ILE MD . . 5.910 2.857 2.400 3.512 . 0 0 "[ . 1 . 2]" 1
293 1 19 TRP HB3 1 74 ILE MG . . 5.190 2.755 2.186 3.760 . 0 0 "[ . 1 . 2]" 1
294 1 19 TRP HD1 1 72 VAL HB . . 4.480 3.014 2.520 3.833 . 0 0 "[ . 1 . 2]" 1
295 1 19 TRP HD1 1 72 VAL QG . . 6.600 3.186 2.484 4.222 . 0 0 "[ . 1 . 2]" 1
296 1 19 TRP HE1 1 72 VAL HB . . 5.410 3.918 2.881 5.230 . 0 0 "[ . 1 . 2]" 1
297 1 19 TRP HE1 1 72 VAL MG1 . . 6.530 3.437 2.804 4.267 . 0 0 "[ . 1 . 2]" 1
298 1 19 TRP HE1 1 72 VAL QG . . 5.510 2.888 2.572 3.524 . 0 0 "[ . 1 . 2]" 1
299 1 19 TRP HE1 1 72 VAL MG2 . . 6.530 3.211 2.629 3.842 . 0 0 "[ . 1 . 2]" 1
300 1 19 TRP HE3 1 74 ILE MD . . 5.070 2.709 1.887 3.404 . 0 0 "[ . 1 . 2]" 1
301 1 19 TRP HE3 1 74 ILE MG . . 4.300 2.532 1.817 3.552 . 0 0 "[ . 1 . 2]" 1
302 1 19 TRP HH2 1 58 ILE MG . . 4.670 3.942 2.876 4.702 0.032 8 0 "[ . 1 . 2]" 1
303 1 19 TRP HZ2 1 72 VAL QG . . 6.540 3.645 3.080 4.673 . 0 0 "[ . 1 . 2]" 1
304 1 19 TRP HZ3 1 74 ILE MD . . 6.430 4.659 3.800 5.394 . 0 0 "[ . 1 . 2]" 1
305 1 20 THR H 1 20 THR HB . . 3.520 2.828 2.521 3.582 0.062 9 0 "[ . 1 . 2]" 1
306 1 20 THR H 1 73 ALA HA . . 3.860 3.557 2.771 3.899 0.039 9 0 "[ . 1 . 2]" 1
307 1 20 THR MG 1 21 PRO HD2 . . 4.640 2.641 2.203 3.550 . 0 0 "[ . 1 . 2]" 1
308 1 20 THR MG 1 21 PRO QD . . 4.110 2.509 2.183 3.135 . 0 0 "[ . 1 . 2]" 1
309 1 20 THR MG 1 21 PRO HD3 . . 4.640 3.433 2.868 3.865 . 0 0 "[ . 1 . 2]" 1
310 1 20 THR MG 1 22 VAL QG . . 8.930 4.258 2.223 6.060 . 0 0 "[ . 1 . 2]" 1
311 1 21 PRO HA 1 22 VAL H . . 2.990 2.195 2.145 2.347 . 0 0 "[ . 1 . 2]" 1
312 1 21 PRO HA 1 22 VAL QG . . 6.570 3.605 3.255 3.777 . 0 0 "[ . 1 . 2]" 1
313 1 21 PRO HA 1 74 ILE H . . 3.520 3.062 2.530 3.531 0.011 5 0 "[ . 1 . 2]" 1
314 1 21 PRO HA 1 74 ILE MD . . 5.410 3.686 3.194 4.140 . 0 0 "[ . 1 . 2]" 1
315 1 21 PRO HA 1 74 ILE HG12 . . 4.540 3.098 2.603 3.683 . 0 0 "[ . 1 . 2]" 1
316 1 21 PRO HA 1 74 ILE HG13 . . 4.540 2.261 1.911 2.754 . 0 0 "[ . 1 . 2]" 1
317 1 22 VAL H 1 22 VAL MG1 . . 4.730 2.416 2.032 3.906 . 0 0 "[ . 1 . 2]" 1
318 1 22 VAL H 1 22 VAL MG2 . . 4.730 3.795 2.516 4.028 . 0 0 "[ . 1 . 2]" 1
319 1 22 VAL HA 1 23 SER H . . 3.330 2.243 2.173 2.329 . 0 0 "[ . 1 . 2]" 1
320 1 22 VAL HB 1 23 SER H . . 4.040 4.023 3.722 4.086 0.046 15 0 "[ . 1 . 2]" 1
321 1 22 VAL HB 1 27 LEU QD . . 6.890 3.955 1.942 6.378 . 0 0 "[ . 1 . 2]" 1
322 1 22 VAL QG 1 23 SER H . . 5.940 2.250 2.047 2.413 . 0 0 "[ . 1 . 2]" 1
323 1 22 VAL QG 1 26 ARG H . . 6.440 3.627 2.973 4.068 . 0 0 "[ . 1 . 2]" 1
324 1 22 VAL QG 1 26 ARG QD . . 7.200 4.156 3.577 4.940 . 0 0 "[ . 1 . 2]" 1
325 1 22 VAL QG 1 27 LEU H . . 6.940 2.965 2.460 3.683 . 0 0 "[ . 1 . 2]" 1
326 1 22 VAL QG 1 27 LEU HA . . 5.820 2.247 1.797 2.827 . 0 0 "[ . 1 . 2]" 1
327 1 22 VAL QG 1 27 LEU QB . . 7.150 2.693 2.090 3.716 . 0 0 "[ . 1 . 2]" 1
328 1 22 VAL QG 1 27 LEU QD . . 7.040 2.030 1.759 3.809 . 0 0 "[ . 1 . 2]" 1
329 1 22 VAL QG 1 28 ASP H . . 6.720 4.605 4.332 5.320 . 0 0 "[ . 1 . 2]" 1
330 1 22 VAL QG 1 73 ALA HA . . 6.720 3.635 2.808 4.231 . 0 0 "[ . 1 . 2]" 1
331 1 22 VAL QG 1 74 ILE H . . 6.100 3.216 2.514 3.640 . 0 0 "[ . 1 . 2]" 1
332 1 22 VAL QG 1 75 ALA MB . . 5.440 3.043 2.198 5.181 . 0 0 "[ . 1 . 2]" 1
333 1 22 VAL QG 1 76 ASP H . . 7.100 4.858 3.986 5.965 . 0 0 "[ . 1 . 2]" 1
334 1 22 VAL MG1 1 23 SER H . . 6.530 3.571 2.118 3.899 . 0 0 "[ . 1 . 2]" 1
335 1 22 VAL MG1 1 27 LEU HB2 . . 8.840 3.232 2.133 5.292 . 0 0 "[ . 1 . 2]" 1
336 1 22 VAL MG1 1 27 LEU HB3 . . 8.840 4.587 3.649 6.556 . 0 0 "[ . 1 . 2]" 1
337 1 22 VAL MG1 1 27 LEU MD1 . . 8.960 4.246 2.568 5.008 . 0 0 "[ . 1 . 2]" 1
338 1 22 VAL MG1 1 27 LEU MD2 . . 8.960 2.267 1.786 5.564 . 0 0 "[ . 1 . 2]" 1
339 1 22 VAL MG1 1 75 ALA MB . . 5.910 3.131 2.206 5.926 0.016 2 0 "[ . 1 . 2]" 1
340 1 22 VAL MG2 1 23 SER H . . 6.530 2.451 2.062 4.055 . 0 0 "[ . 1 . 2]" 1
341 1 22 VAL MG2 1 27 LEU HB2 . . 8.840 3.244 2.596 5.107 . 0 0 "[ . 1 . 2]" 1
342 1 22 VAL MG2 1 27 LEU HB3 . . 8.840 4.398 3.831 6.053 . 0 0 "[ . 1 . 2]" 1
343 1 22 VAL MG2 1 27 LEU MD1 . . 8.960 4.456 3.830 5.009 . 0 0 "[ . 1 . 2]" 1
344 1 22 VAL MG2 1 27 LEU MD2 . . 8.960 2.861 1.945 4.535 . 0 0 "[ . 1 . 2]" 1
345 1 22 VAL MG2 1 75 ALA MB . . 5.910 4.706 3.837 5.717 . 0 0 "[ . 1 . 2]" 1
346 1 23 SER H 1 23 SER QB . . 3.790 2.626 2.290 2.945 . 0 0 "[ . 1 . 2]" 1
347 1 23 SER HA 1 23 SER HB2 . . 3.050 2.790 2.487 3.032 . 0 0 "[ . 1 . 2]" 1
348 1 23 SER HA 1 23 SER HB3 . . 3.050 2.466 2.269 3.034 . 0 0 "[ . 1 . 2]" 1
349 1 23 SER QB 1 24 GLU H . . 3.850 2.541 2.263 3.318 . 0 0 "[ . 1 . 2]" 1
350 1 23 SER HB2 1 24 GLU H . . 4.070 3.162 2.316 4.104 0.034 16 0 "[ . 1 . 2]" 1
351 1 23 SER HB3 1 24 GLU H . . 4.070 3.080 2.291 3.823 . 0 0 "[ . 1 . 2]" 1
352 1 24 GLU H 1 24 GLU HB2 . . 3.860 2.623 2.039 3.561 . 0 0 "[ . 1 . 2]" 1
353 1 24 GLU H 1 24 GLU QB . . 3.660 2.363 2.020 2.964 . 0 0 "[ . 1 . 2]" 1
354 1 24 GLU H 1 24 GLU HB3 . . 3.860 2.810 2.297 3.555 . 0 0 "[ . 1 . 2]" 1
355 1 24 GLU H 1 24 GLU HG2 . . 5.500 4.086 3.263 4.459 . 0 0 "[ . 1 . 2]" 1
356 1 24 GLU H 1 24 GLU QG . . 5.110 3.434 1.769 4.016 . 0 0 "[ . 1 . 2]" 1
357 1 24 GLU H 1 24 GLU HG3 . . 5.500 3.874 1.776 4.639 . 0 0 "[ . 1 . 2]" 1
358 1 24 GLU H 1 25 SER H . . 4.170 3.089 2.487 4.492 0.322 10 0 "[ . 1 . 2]" 1
359 1 24 GLU HA 1 24 GLU QG . . 3.660 2.581 2.304 3.410 . 0 0 "[ . 1 . 2]" 1
360 1 24 GLU HA 1 27 LEU H . . 4.230 3.575 3.152 4.113 . 0 0 "[ . 1 . 2]" 1
361 1 24 GLU HA 1 27 LEU QB . . 4.240 2.781 2.220 3.413 . 0 0 "[ . 1 . 2]" 1
362 1 24 GLU HA 1 27 LEU QD . . 5.830 4.107 3.047 4.727 . 0 0 "[ . 1 . 2]" 1
363 1 24 GLU HA 1 27 LEU HG . . 5.500 4.362 3.724 5.500 0.000 13 0 "[ . 1 . 2]" 1
364 1 24 GLU HA 1 83 ILE MD . . 4.260 2.501 1.990 3.319 . 0 0 "[ . 1 . 2]" 1
365 1 24 GLU HA 1 83 ILE HG13 . . 3.760 3.257 2.530 3.866 0.106 9 0 "[ . 1 . 2]" 1
366 1 24 GLU QB 1 82 ALA MB . . 4.520 3.089 2.166 3.834 . 0 0 "[ . 1 . 2]" 1
367 1 24 GLU QB 1 83 ILE MD . . 4.990 3.508 2.343 4.297 . 0 0 "[ . 1 . 2]" 1
368 1 24 GLU HB2 1 25 SER H . . 5.500 3.542 2.253 4.606 . 0 0 "[ . 1 . 2]" 1
369 1 24 GLU HB2 1 82 ALA MB . . 4.920 3.374 2.546 4.832 . 0 0 "[ . 1 . 2]" 1
370 1 24 GLU HB2 1 83 ILE MD . . 5.320 3.923 3.147 4.887 . 0 0 "[ . 1 . 2]" 1
371 1 24 GLU HB3 1 25 SER H . . 5.500 2.847 1.685 4.378 . 0 0 "[ . 1 . 2]" 1
372 1 24 GLU HB3 1 82 ALA MB . . 4.920 3.852 2.345 4.953 0.033 4 0 "[ . 1 . 2]" 1
373 1 24 GLU HB3 1 83 ILE MD . . 5.320 4.412 2.372 5.275 . 0 0 "[ . 1 . 2]" 1
374 1 24 GLU QG 1 25 SER H . . 6.350 3.896 3.235 4.568 . 0 0 "[ . 1 . 2]" 1
375 1 24 GLU QG 1 83 ILE MD . . 4.340 3.498 3.084 3.932 . 0 0 "[ . 1 . 2]" 1
376 1 24 GLU HG2 1 82 ALA MB . . 4.140 3.428 1.774 4.281 0.141 8 0 "[ . 1 . 2]" 1
377 1 24 GLU HG2 1 83 ILE MD . . 4.610 3.956 3.133 4.679 0.069 17 0 "[ . 1 . 2]" 1
378 1 24 GLU HG3 1 82 ALA MB . . 4.140 2.757 1.827 3.869 . 0 0 "[ . 1 . 2]" 1
379 1 24 GLU HG3 1 83 ILE MD . . 4.610 4.181 3.214 4.685 0.075 20 0 "[ . 1 . 2]" 1
380 1 25 SER H 1 25 SER HB2 . . 4.170 2.619 2.386 3.652 . 0 0 "[ . 1 . 2]" 1
381 1 25 SER H 1 25 SER HB3 . . 4.170 3.412 2.511 4.110 . 0 0 "[ . 1 . 2]" 1
382 1 25 SER H 1 26 ARG H . . 3.580 2.630 1.791 3.832 0.252 16 0 "[ . 1 . 2]" 1
383 1 25 SER HB2 1 26 ARG H . . 4.200 3.404 2.682 4.300 0.100 17 0 "[ . 1 . 2]" 1
384 1 25 SER HB3 1 26 ARG H . . 4.200 3.834 1.858 4.375 0.175 5 0 "[ . 1 . 2]" 1
385 1 26 ARG H 1 26 ARG HB2 . . 3.890 2.742 2.261 3.700 . 0 0 "[ . 1 . 2]" 1
386 1 26 ARG H 1 26 ARG QB . . 3.480 2.415 2.221 3.132 . 0 0 "[ . 1 . 2]" 1
387 1 26 ARG H 1 26 ARG HB3 . . 3.890 2.927 2.361 3.748 . 0 0 "[ . 1 . 2]" 1
388 1 26 ARG H 1 26 ARG HG2 . . 4.970 4.111 2.336 4.853 . 0 0 "[ . 1 . 2]" 1
389 1 26 ARG H 1 26 ARG QG . . 4.620 3.665 2.315 4.134 . 0 0 "[ . 1 . 2]" 1
390 1 26 ARG H 1 26 ARG HG3 . . 4.970 4.331 3.782 4.571 . 0 0 "[ . 1 . 2]" 1
391 1 26 ARG H 1 27 LEU H . . 3.110 2.070 1.790 2.308 . 0 0 "[ . 1 . 2]" 1
392 1 26 ARG H 1 28 ASP H . . 4.040 4.119 4.033 4.214 0.174 17 0 "[ . 1 . 2]" 1
393 1 26 ARG HA 1 26 ARG HD2 . . 4.010 2.933 1.849 4.092 0.082 3 0 "[ . 1 . 2]" 1
394 1 26 ARG HA 1 26 ARG QD . . 3.470 2.242 1.824 3.596 0.126 17 0 "[ . 1 . 2]" 1
395 1 26 ARG HA 1 26 ARG HD3 . . 4.010 2.758 1.835 4.343 0.333 17 0 "[ . 1 . 2]" 1
396 1 26 ARG HA 1 28 ASP H . . 4.010 3.967 3.540 4.078 0.068 18 0 "[ . 1 . 2]" 1
397 1 26 ARG QB 1 27 LEU H . . 4.230 3.128 2.938 3.821 . 0 0 "[ . 1 . 2]" 1
398 1 26 ARG HB2 1 27 LEU H . . 4.600 3.883 3.044 4.282 . 0 0 "[ . 1 . 2]" 1
399 1 26 ARG HB3 1 27 LEU H . . 4.600 3.460 3.013 4.505 . 0 0 "[ . 1 . 2]" 1
400 1 26 ARG QG 1 27 LEU H . . 4.970 4.162 3.086 4.632 . 0 0 "[ . 1 . 2]" 1
401 1 26 ARG HG2 1 27 LEU H . . 5.500 4.912 3.126 5.440 . 0 0 "[ . 1 . 2]" 1
402 1 26 ARG HG3 1 27 LEU H . . 5.500 4.707 3.873 5.583 0.083 12 0 "[ . 1 . 2]" 1
403 1 27 LEU H 1 27 LEU HB2 . . 3.170 2.345 2.120 2.479 . 0 0 "[ . 1 . 2]" 1
404 1 27 LEU H 1 27 LEU QB . . 2.970 2.185 2.079 2.234 . 0 0 "[ . 1 . 2]" 1
405 1 27 LEU H 1 27 LEU HB3 . . 3.170 2.647 2.495 3.000 . 0 0 "[ . 1 . 2]" 1
406 1 27 LEU H 1 27 LEU QD . . 5.190 3.645 3.525 3.745 . 0 0 "[ . 1 . 2]" 1
407 1 27 LEU H 1 27 LEU HG . . 5.500 4.511 4.021 4.597 . 0 0 "[ . 1 . 2]" 1
408 1 27 LEU H 1 28 ASP H . . 3.550 2.689 2.525 2.945 . 0 0 "[ . 1 . 2]" 1
409 1 27 LEU HA 1 27 LEU MD1 . . 3.920 3.196 2.642 3.796 . 0 0 "[ . 1 . 2]" 1
410 1 27 LEU HA 1 27 LEU QD . . 3.510 1.997 1.785 2.776 . 0 0 "[ . 1 . 2]" 1
411 1 27 LEU HA 1 27 LEU MD2 . . 3.920 2.019 1.803 2.858 . 0 0 "[ . 1 . 2]" 1
412 1 27 LEU QB 1 28 ASP H . . 3.790 2.536 2.364 2.678 . 0 0 "[ . 1 . 2]" 1
413 1 27 LEU HB2 1 28 ASP H . . 4.290 3.740 3.446 3.932 . 0 0 "[ . 1 . 2]" 1
414 1 27 LEU HB3 1 28 ASP H . . 4.290 2.581 2.395 2.773 . 0 0 "[ . 1 . 2]" 1
415 1 27 LEU QD 1 28 ASP H . . 5.200 3.301 2.980 3.840 . 0 0 "[ . 1 . 2]" 1
416 1 27 LEU QD 1 31 LEU QD . . 7.710 2.524 1.900 3.101 . 0 0 "[ . 1 . 2]" 1
417 1 27 LEU QD 1 83 ILE MD . . 7.480 2.717 2.018 3.100 . 0 0 "[ . 1 . 2]" 1
418 1 27 LEU QD 1 83 ILE HG13 . . 5.060 4.815 3.802 5.107 0.047 5 0 "[ . 1 . 2]" 1
419 1 27 LEU QD 1 96 LEU QD . . 9.800 4.805 4.218 5.405 . 0 0 "[ . 1 . 2]" 1
420 1 27 LEU MD1 1 28 ASP H . . 5.600 3.495 3.051 4.684 . 0 0 "[ . 1 . 2]" 1
421 1 27 LEU MD1 1 31 LEU MD1 . . 9.610 3.744 2.779 5.377 . 0 0 "[ . 1 . 2]" 1
422 1 27 LEU MD1 1 31 LEU MD2 . . 9.610 2.931 1.982 4.478 . 0 0 "[ . 1 . 2]" 1
423 1 27 LEU MD2 1 28 ASP H . . 5.600 4.321 3.460 4.630 . 0 0 "[ . 1 . 2]" 1
424 1 27 LEU MD2 1 31 LEU MD1 . . 9.610 4.038 2.227 5.129 . 0 0 "[ . 1 . 2]" 1
425 1 27 LEU MD2 1 31 LEU MD2 . . 9.610 3.742 2.107 5.138 . 0 0 "[ . 1 . 2]" 1
426 1 27 LEU HG 1 28 ASP H . . 5.500 4.958 4.799 5.138 . 0 0 "[ . 1 . 2]" 1
427 1 28 ASP H 1 28 ASP HB2 . . 3.270 2.585 2.369 2.803 . 0 0 "[ . 1 . 2]" 1
428 1 28 ASP H 1 28 ASP HB3 . . 3.270 2.508 2.388 2.720 . 0 0 "[ . 1 . 2]" 1
429 1 28 ASP H 1 29 ASP H . . 3.550 2.565 2.332 2.741 . 0 0 "[ . 1 . 2]" 1
430 1 28 ASP HA 1 31 LEU HB2 . . 3.490 3.237 2.054 3.546 0.056 11 0 "[ . 1 . 2]" 1
431 1 28 ASP HA 1 31 LEU HB3 . . 3.550 2.838 2.075 3.618 0.068 6 0 "[ . 1 . 2]" 1
432 1 28 ASP HA 1 31 LEU QD . . 6.180 3.365 2.090 4.434 . 0 0 "[ . 1 . 2]" 1
433 1 28 ASP QB 1 29 ASP H . . 4.160 2.541 2.319 2.789 . 0 0 "[ . 1 . 2]" 1
434 1 28 ASP HB2 1 29 ASP H . . 4.630 3.846 3.709 3.997 . 0 0 "[ . 1 . 2]" 1
435 1 28 ASP HB3 1 29 ASP H . . 4.630 2.580 2.341 2.850 . 0 0 "[ . 1 . 2]" 1
436 1 29 ASP H 1 29 ASP HB2 . . 3.140 2.333 2.219 2.539 . 0 0 "[ . 1 . 2]" 1
437 1 29 ASP H 1 29 ASP HB3 . . 3.800 2.656 2.441 2.793 . 0 0 "[ . 1 . 2]" 1
438 1 29 ASP HA 1 29 ASP HB2 . . 3.020 2.543 2.442 2.595 . 0 0 "[ . 1 . 2]" 1
439 1 29 ASP HA 1 31 LEU H . . 4.850 4.454 4.269 4.634 . 0 0 "[ . 1 . 2]" 1
440 1 29 ASP HA 1 32 THR MG . . 3.800 2.870 2.168 3.968 0.168 17 0 "[ . 1 . 2]" 1
441 1 29 ASP HB2 1 30 TRP H . . 3.240 3.457 3.374 3.549 0.309 6 0 "[ . 1 . 2]" 1
442 1 29 ASP HB3 1 30 TRP H . . 2.930 2.120 2.071 2.262 . 0 0 "[ . 1 . 2]" 1
443 1 30 TRP HA 1 30 TRP HD1 . . 3.670 2.815 1.973 3.825 0.155 15 0 "[ . 1 . 2]" 1
444 1 31 LEU H 1 31 LEU HB2 . . 3.520 2.402 2.055 2.526 . 0 0 "[ . 1 . 2]" 1
445 1 31 LEU H 1 31 LEU HB3 . . 3.800 2.699 2.491 3.560 . 0 0 "[ . 1 . 2]" 1
446 1 31 LEU H 1 31 LEU MD1 . . 5.810 4.069 3.692 4.342 . 0 0 "[ . 1 . 2]" 1
447 1 31 LEU H 1 31 LEU QD . . 4.940 3.582 2.977 3.713 . 0 0 "[ . 1 . 2]" 1
448 1 31 LEU H 1 31 LEU MD2 . . 5.810 4.053 3.044 4.282 . 0 0 "[ . 1 . 2]" 1
449 1 31 LEU H 1 32 THR H . . 3.950 2.658 2.487 2.833 . 0 0 "[ . 1 . 2]" 1
450 1 31 LEU HA 1 31 LEU QD . . 4.260 1.980 1.784 2.070 . 0 0 "[ . 1 . 2]" 1
451 1 31 LEU HA 1 34 ALA MB . . 4.480 3.208 2.419 3.886 . 0 0 "[ . 1 . 2]" 1
452 1 31 LEU HB3 1 31 LEU HG . . 2.800 2.503 2.423 2.994 0.194 13 0 "[ . 1 . 2]" 1
453 1 31 LEU HB3 1 32 THR H . . 5.500 2.844 2.551 3.683 . 0 0 "[ . 1 . 2]" 1
454 1 31 LEU QD 1 34 ALA MB . . 8.540 3.677 2.748 4.559 . 0 0 "[ . 1 . 2]" 1
455 1 31 LEU QD 1 39 VAL HB . . 6.270 5.371 4.210 6.365 0.095 15 0 "[ . 1 . 2]" 1
456 1 31 LEU QD 1 39 VAL QG . . 6.020 3.356 2.218 4.324 . 0 0 "[ . 1 . 2]" 1
457 1 31 LEU QD 1 98 PHE QD . . 8.200 3.342 2.692 4.365 . 0 0 "[ . 1 . 2]" 1
458 1 31 LEU MD1 1 39 VAL MG1 . . 7.600 5.813 4.804 7.233 . 0 0 "[ . 1 . 2]" 1
459 1 31 LEU MD1 1 39 VAL MG2 . . 7.600 4.028 2.951 5.674 . 0 0 "[ . 1 . 2]" 1
460 1 31 LEU MD1 1 98 PHE QD . . 8.650 3.746 2.916 4.830 . 0 0 "[ . 1 . 2]" 1
461 1 31 LEU MD2 1 39 VAL MG1 . . 7.600 5.630 4.069 7.372 . 0 0 "[ . 1 . 2]" 1
462 1 31 LEU MD2 1 39 VAL MG2 . . 7.600 4.115 2.243 6.017 . 0 0 "[ . 1 . 2]" 1
463 1 31 LEU MD2 1 98 PHE QD . . 8.650 3.938 2.861 5.629 . 0 0 "[ . 1 . 2]" 1
464 1 32 THR H 1 32 THR HB . . 3.170 2.551 2.305 2.776 . 0 0 "[ . 1 . 2]" 1
465 1 32 THR H 1 32 THR MG . . 3.860 2.681 2.017 3.749 . 0 0 "[ . 1 . 2]" 1
466 1 32 THR H 1 33 GLN H . . 3.580 2.479 2.306 2.711 . 0 0 "[ . 1 . 2]" 1
467 1 32 THR HA 1 32 THR HB . . 2.960 2.667 2.454 3.022 0.062 17 0 "[ . 1 . 2]" 1
468 1 32 THR HB 1 33 GLN H . . 4.320 3.657 2.592 4.160 . 0 0 "[ . 1 . 2]" 1
469 1 32 THR MG 1 33 GLN H . . 6.280 2.770 2.378 3.673 . 0 0 "[ . 1 . 2]" 1
470 1 33 GLN H 1 33 GLN HB2 . . 3.520 2.454 2.222 3.595 0.075 11 0 "[ . 1 . 2]" 1
471 1 33 GLN H 1 33 GLN QB . . 3.250 2.390 2.199 2.949 . 0 0 "[ . 1 . 2]" 1
472 1 33 GLN H 1 33 GLN HB3 . . 3.520 3.566 3.133 3.627 0.107 10 0 "[ . 1 . 2]" 1
473 1 33 GLN H 1 33 GLN HG2 . . 4.140 3.093 1.925 3.932 . 0 0 "[ . 1 . 2]" 1
474 1 33 GLN H 1 33 GLN QG . . 3.800 2.493 1.906 2.967 . 0 0 "[ . 1 . 2]" 1
475 1 33 GLN H 1 33 GLN HG3 . . 4.140 3.129 2.273 4.046 . 0 0 "[ . 1 . 2]" 1
476 1 34 ALA HA 1 71 GLN HE21 . . 3.920 3.636 2.755 4.021 0.101 3 0 "[ . 1 . 2]" 1
477 1 34 ALA HA 1 71 GLN QE . . 3.670 3.188 2.359 3.564 . 0 0 "[ . 1 . 2]" 1
478 1 34 ALA HA 1 71 GLN HE22 . . 3.920 3.646 2.564 4.036 0.116 12 0 "[ . 1 . 2]" 1
479 1 34 ALA MB 1 71 GLN HB2 . . 4.700 2.980 2.009 4.187 . 0 0 "[ . 1 . 2]" 1
480 1 34 ALA MB 1 71 GLN QB . . 4.420 2.817 1.990 3.831 . 0 0 "[ . 1 . 2]" 1
481 1 34 ALA MB 1 71 GLN HB3 . . 4.700 3.592 2.815 4.439 . 0 0 "[ . 1 . 2]" 1
482 1 34 ALA MB 1 71 GLN HE21 . . 5.630 2.642 1.757 3.492 . 0 0 "[ . 1 . 2]" 1
483 1 34 ALA MB 1 71 GLN QE . . 5.240 2.406 1.736 3.267 . 0 0 "[ . 1 . 2]" 1
484 1 34 ALA MB 1 71 GLN HE22 . . 5.630 3.052 1.797 3.932 . 0 0 "[ . 1 . 2]" 1
485 1 34 ALA MB 1 71 GLN HG2 . . 4.700 2.869 1.824 4.601 . 0 0 "[ . 1 . 2]" 1
486 1 34 ALA MB 1 71 GLN QG . . 4.400 2.564 1.816 3.491 . 0 0 "[ . 1 . 2]" 1
487 1 34 ALA MB 1 71 GLN HG3 . . 4.700 3.548 3.011 4.181 . 0 0 "[ . 1 . 2]" 1
488 1 35 PRO QB 1 36 ASP H . . 4.080 2.829 1.867 3.560 . 0 0 "[ . 1 . 2]" 1
489 1 36 ASP H 1 36 ASP HB2 . . 3.830 3.090 2.442 3.614 . 0 0 "[ . 1 . 2]" 1
490 1 36 ASP H 1 36 ASP QB . . 3.450 2.850 2.408 3.327 . 0 0 "[ . 1 . 2]" 1
491 1 36 ASP H 1 36 ASP HB3 . . 3.830 3.576 2.804 4.063 0.233 14 0 "[ . 1 . 2]" 1
492 1 36 ASP HA 1 37 GLY H . . 3.550 2.672 2.112 3.547 . 0 0 "[ . 1 . 2]" 1
493 1 37 GLY H 1 38 VAL QG . . 6.570 3.912 3.142 4.523 . 0 0 "[ . 1 . 2]" 1
494 1 37 GLY H 1 71 GLN H . . 4.070 3.950 2.791 4.211 0.141 17 0 "[ . 1 . 2]" 1
495 1 38 VAL HA 1 39 VAL H . . 2.930 2.245 2.162 2.370 . 0 0 "[ . 1 . 2]" 1
496 1 38 VAL HA 1 95 THR MG . . 6.090 4.297 3.673 5.243 . 0 0 "[ . 1 . 2]" 1
497 1 38 VAL HB 1 39 VAL H . . 3.520 2.854 2.537 3.108 . 0 0 "[ . 1 . 2]" 1
498 1 38 VAL HB 1 95 THR MG . . 4.050 2.615 1.979 3.586 . 0 0 "[ . 1 . 2]" 1
499 1 38 VAL HB 1 97 VAL MG1 . . 6.160 5.478 5.028 5.847 . 0 0 "[ . 1 . 2]" 1
500 1 38 VAL HB 1 97 VAL MG2 . . 5.660 4.352 3.522 4.642 . 0 0 "[ . 1 . 2]" 1
501 1 38 VAL QG 1 39 VAL H . . 4.480 3.354 3.226 3.440 . 0 0 "[ . 1 . 2]" 1
502 1 38 VAL QG 1 62 LEU QD . . 6.900 2.325 1.915 3.067 . 0 0 "[ . 1 . 2]" 1
503 1 38 VAL QG 1 70 TRP HZ3 . . 4.220 2.753 2.261 3.025 . 0 0 "[ . 1 . 2]" 1
504 1 38 VAL QG 1 72 VAL HA . . 5.860 2.302 1.790 2.905 . 0 0 "[ . 1 . 2]" 1
505 1 38 VAL QG 1 72 VAL QG . . 6.120 1.942 1.775 2.190 . 0 0 "[ . 1 . 2]" 1
506 1 38 VAL QG 1 73 ALA H . . 6.880 3.317 2.963 3.893 . 0 0 "[ . 1 . 2]" 1
507 1 38 VAL QG 1 95 THR HA . . 6.350 5.115 4.530 5.862 . 0 0 "[ . 1 . 2]" 1
508 1 38 VAL QG 1 97 VAL HA . . 4.290 1.997 1.776 2.395 . 0 0 "[ . 1 . 2]" 1
509 1 38 VAL MG1 1 39 VAL H . . 4.880 3.702 3.622 3.786 . 0 0 "[ . 1 . 2]" 1
510 1 38 VAL MG1 1 62 LEU MD1 . . 9.050 3.276 2.816 4.166 . 0 0 "[ . 1 . 2]" 1
511 1 38 VAL MG1 1 62 LEU MD2 . . 9.050 3.392 2.449 4.843 . 0 0 "[ . 1 . 2]" 1
512 1 38 VAL MG1 1 70 TRP HZ3 . . 4.760 2.772 2.268 3.058 . 0 0 "[ . 1 . 2]" 1
513 1 38 VAL MG1 1 72 VAL MG1 . . 8.010 4.586 4.360 4.849 . 0 0 "[ . 1 . 2]" 1
514 1 38 VAL MG1 1 72 VAL MG2 . . 8.010 4.085 3.850 4.373 . 0 0 "[ . 1 . 2]" 1
515 1 38 VAL MG1 1 95 THR MG . . 4.550 3.168 2.621 4.270 . 0 0 "[ . 1 . 2]" 1
516 1 38 VAL MG1 1 97 VAL HA . . 4.980 2.000 1.777 2.401 . 0 0 "[ . 1 . 2]" 1
517 1 38 VAL MG2 1 39 VAL H . . 4.880 3.845 3.578 4.040 . 0 0 "[ . 1 . 2]" 1
518 1 38 VAL MG2 1 62 LEU MD1 . . 9.050 3.296 2.744 3.924 . 0 0 "[ . 1 . 2]" 1
519 1 38 VAL MG2 1 62 LEU MD2 . . 9.050 2.618 2.046 3.705 . 0 0 "[ . 1 . 2]" 1
520 1 38 VAL MG2 1 70 TRP HZ3 . . 4.760 4.699 4.201 4.830 0.070 8 0 "[ . 1 . 2]" 1
521 1 38 VAL MG2 1 72 VAL MG1 . . 8.010 2.193 1.916 2.837 . 0 0 "[ . 1 . 2]" 1
522 1 38 VAL MG2 1 72 VAL MG2 . . 8.010 2.207 1.960 2.508 . 0 0 "[ . 1 . 2]" 1
523 1 38 VAL MG2 1 95 THR MG . . 4.550 3.271 2.474 4.144 . 0 0 "[ . 1 . 2]" 1
524 1 38 VAL MG2 1 97 VAL HA . . 4.980 4.540 4.239 4.867 . 0 0 "[ . 1 . 2]" 1
525 1 39 VAL H 1 39 VAL HB . . 3.360 2.736 2.630 3.259 . 0 0 "[ . 1 . 2]" 1
526 1 39 VAL H 1 39 VAL QG . . 4.260 2.675 2.289 2.880 . 0 0 "[ . 1 . 2]" 1
527 1 39 VAL H 1 40 LEU H . . 4.760 4.342 4.263 4.431 . 0 0 "[ . 1 . 2]" 1
528 1 39 VAL H 1 95 THR MG . . 4.670 3.666 3.255 4.089 . 0 0 "[ . 1 . 2]" 1
529 1 39 VAL H 1 96 LEU H . . 3.450 3.298 2.956 3.544 0.094 19 0 "[ . 1 . 2]" 1
530 1 39 VAL H 1 97 VAL HA . . 4.690 3.680 3.298 4.239 . 0 0 "[ . 1 . 2]" 1
531 1 39 VAL HA 1 40 LEU H . . 3.140 2.175 2.113 2.254 . 0 0 "[ . 1 . 2]" 1
532 1 39 VAL HB 1 40 LEU H . . 4.380 4.127 3.931 4.258 . 0 0 "[ . 1 . 2]" 1
533 1 39 VAL HB 1 96 LEU QD . . 6.300 3.336 2.650 4.904 . 0 0 "[ . 1 . 2]" 1
534 1 39 VAL QG 1 40 LEU H . . 5.090 2.570 2.297 2.778 . 0 0 "[ . 1 . 2]" 1
535 1 39 VAL QG 1 73 ALA MB . . 6.570 2.110 1.771 2.663 . 0 0 "[ . 1 . 2]" 1
536 1 39 VAL QG 1 75 ALA H . . 8.090 3.776 2.926 4.163 . 0 0 "[ . 1 . 2]" 1
537 1 39 VAL QG 1 75 ALA MB . . 7.300 3.167 2.838 3.568 . 0 0 "[ . 1 . 2]" 1
538 1 39 VAL QG 1 83 ILE MG . . 6.820 3.085 2.560 3.439 . 0 0 "[ . 1 . 2]" 1
539 1 39 VAL QG 1 96 LEU QB . . 6.150 3.340 1.941 3.668 . 0 0 "[ . 1 . 2]" 1
540 1 39 VAL QG 1 96 LEU QD . . 7.280 3.231 2.351 3.751 . 0 0 "[ . 1 . 2]" 1
541 1 39 VAL QG 1 98 PHE QE . . 8.910 2.388 1.973 3.166 . 0 0 "[ . 1 . 2]" 1
542 1 39 VAL QG 1 98 PHE HZ . . 7.780 3.711 1.791 4.651 . 0 0 "[ . 1 . 2]" 1
543 1 39 VAL MG1 1 40 LEU H . . 5.910 2.672 2.311 3.791 . 0 0 "[ . 1 . 2]" 1
544 1 39 VAL MG1 1 73 ALA MB . . 6.870 3.034 2.554 4.028 . 0 0 "[ . 1 . 2]" 1
545 1 39 VAL MG1 1 75 ALA MB . . 7.560 3.301 2.878 5.234 . 0 0 "[ . 1 . 2]" 1
546 1 39 VAL MG1 1 96 LEU MD1 . . 9.360 3.451 2.390 4.101 . 0 0 "[ . 1 . 2]" 1
547 1 39 VAL MG1 1 96 LEU MD2 . . 9.360 5.069 4.020 5.818 . 0 0 "[ . 1 . 2]" 1
548 1 39 VAL MG2 1 40 LEU H . . 5.910 3.957 2.373 4.131 . 0 0 "[ . 1 . 2]" 1
549 1 39 VAL MG2 1 73 ALA MB . . 6.870 2.160 1.790 2.780 . 0 0 "[ . 1 . 2]" 1
550 1 39 VAL MG2 1 75 ALA MB . . 7.560 4.834 3.357 5.369 . 0 0 "[ . 1 . 2]" 1
551 1 39 VAL MG2 1 96 LEU MD1 . . 9.360 4.356 3.686 5.196 . 0 0 "[ . 1 . 2]" 1
552 1 39 VAL MG2 1 96 LEU MD2 . . 9.360 5.580 4.619 6.244 . 0 0 "[ . 1 . 2]" 1
553 1 40 LEU H 1 40 LEU HB2 . . 3.730 2.420 2.360 2.478 . 0 0 "[ . 1 . 2]" 1
554 1 40 LEU H 1 40 LEU QB . . 3.410 2.387 2.330 2.441 . 0 0 "[ . 1 . 2]" 1
555 1 40 LEU H 1 40 LEU HB3 . . 3.730 3.639 3.598 3.675 . 0 0 "[ . 1 . 2]" 1
556 1 40 LEU H 1 40 LEU MD1 . . 5.500 2.381 2.156 3.855 . 0 0 "[ . 1 . 2]" 1
557 1 40 LEU H 1 40 LEU QD . . 4.960 2.354 2.148 3.520 . 0 0 "[ . 1 . 2]" 1
558 1 40 LEU H 1 40 LEU MD2 . . 5.500 4.177 4.065 4.226 . 0 0 "[ . 1 . 2]" 1
559 1 40 LEU H 1 40 LEU HG . . 3.890 3.841 3.163 3.930 0.040 13 0 "[ . 1 . 2]" 1
560 1 40 LEU H 1 74 ILE HA . . 3.980 2.751 2.500 2.923 . 0 0 "[ . 1 . 2]" 1
561 1 40 LEU H 1 75 ALA H . . 4.200 4.220 4.065 4.357 0.157 11 0 "[ . 1 . 2]" 1
562 1 40 LEU HA 1 41 LEU H . . 2.830 2.157 2.112 2.262 . 0 0 "[ . 1 . 2]" 1
563 1 40 LEU QB 1 41 LEU H . . 5.910 3.158 2.806 3.414 . 0 0 "[ . 1 . 2]" 1
564 1 40 LEU QB 1 74 ILE MD . . 6.630 4.627 4.310 5.023 . 0 0 "[ . 1 . 2]" 1
565 1 40 LEU QB 1 74 ILE MG . . 5.830 1.928 1.710 2.565 . 0 0 "[ . 1 . 2]" 1
566 1 40 LEU QD 1 41 LEU H . . 5.880 4.161 3.012 4.322 . 0 0 "[ . 1 . 2]" 1
567 1 40 LEU QD 1 72 VAL QG . . 7.250 2.367 1.955 3.332 . 0 0 "[ . 1 . 2]" 1
568 1 40 LEU QD 1 74 ILE HA . . 6.420 3.625 3.249 4.165 . 0 0 "[ . 1 . 2]" 1
569 1 40 LEU QD 1 74 ILE MG . . 5.750 2.102 1.780 2.580 . 0 0 "[ . 1 . 2]" 1
570 1 40 LEU QD 1 75 ALA H . . 5.990 4.922 4.552 5.272 . 0 0 "[ . 1 . 2]" 1
571 1 40 LEU QD 1 95 THR MG . . 7.390 2.426 2.108 2.779 . 0 0 "[ . 1 . 2]" 1
572 1 40 LEU MD1 1 41 LEU H . . 6.310 4.753 4.675 4.866 . 0 0 "[ . 1 . 2]" 1
573 1 40 LEU MD1 1 72 VAL MG1 . . 9.710 2.412 1.988 3.435 . 0 0 "[ . 1 . 2]" 1
574 1 40 LEU MD1 1 72 VAL MG2 . . 9.710 4.136 3.583 5.129 . 0 0 "[ . 1 . 2]" 1
575 1 40 LEU MD1 1 74 ILE MG . . 6.280 2.253 1.895 2.818 . 0 0 "[ . 1 . 2]" 1
576 1 40 LEU MD2 1 41 LEU H . . 6.310 4.655 3.041 5.015 . 0 0 "[ . 1 . 2]" 1
577 1 40 LEU MD2 1 72 VAL MG1 . . 9.710 3.787 3.095 5.092 . 0 0 "[ . 1 . 2]" 1
578 1 40 LEU MD2 1 72 VAL MG2 . . 9.710 5.504 4.682 6.857 . 0 0 "[ . 1 . 2]" 1
579 1 40 LEU MD2 1 74 ILE MG . . 6.280 2.678 2.132 4.081 . 0 0 "[ . 1 . 2]" 1
580 1 40 LEU HG 1 41 LEU H . . 4.600 4.234 3.989 4.692 0.092 14 0 "[ . 1 . 2]" 1
581 1 40 LEU HG 1 74 ILE MG . . 4.610 4.149 3.451 4.447 . 0 0 "[ . 1 . 2]" 1
582 1 40 LEU HG 1 95 THR MG . . 5.230 2.410 1.913 2.923 . 0 0 "[ . 1 . 2]" 1
583 1 41 LEU H 1 93 PRO HA . . 4.480 4.429 3.906 4.651 0.171 19 0 "[ . 1 . 2]" 1
584 1 41 LEU H 1 94 ALA H . . 3.170 3.086 2.893 3.325 0.155 11 0 "[ . 1 . 2]" 1
585 1 41 LEU QD 1 94 ALA MB . . 9.130 3.841 2.447 4.972 . 0 0 "[ . 1 . 2]" 1
586 1 41 LEU QD 1 96 LEU QD . . 8.210 2.266 1.760 3.101 . 0 0 "[ . 1 . 2]" 1
587 1 41 LEU MD1 1 96 LEU MD1 . . 10.700 2.895 1.796 4.308 . 0 0 "[ . 1 . 2]" 1
588 1 41 LEU MD1 1 96 LEU MD2 . . 10.700 3.835 2.437 5.325 . 0 0 "[ . 1 . 2]" 1
589 1 41 LEU MD2 1 96 LEU MD1 . . 10.700 2.930 2.059 4.321 . 0 0 "[ . 1 . 2]" 1
590 1 41 LEU MD2 1 96 LEU MD2 . . 10.700 3.941 2.578 5.475 . 0 0 "[ . 1 . 2]" 1
591 1 45 PRO QB 1 46 LYS H . . 3.960 3.140 2.226 3.541 . 0 0 "[ . 1 . 2]" 1
592 1 45 PRO HB2 1 46 LYS H . . 4.690 3.459 2.429 3.891 . 0 0 "[ . 1 . 2]" 1
593 1 45 PRO HB3 1 46 LYS H . . 4.690 3.751 2.543 4.340 . 0 0 "[ . 1 . 2]" 1
594 1 46 LYS H 1 46 LYS HB2 . . 2.900 2.693 2.046 3.140 0.240 13 0 "[ . 1 . 2]" 1
595 1 46 LYS H 1 46 LYS HB3 . . 2.900 2.760 2.461 3.313 0.413 9 0 "[ . 1 . 2]" 1
596 1 46 LYS H 1 46 LYS HD2 . . 5.500 4.906 2.761 5.521 0.021 8 0 "[ . 1 . 2]" 1
597 1 46 LYS H 1 46 LYS HD3 . . 5.500 4.909 3.470 5.388 . 0 0 "[ . 1 . 2]" 1
598 1 46 LYS H 1 46 LYS HG2 . . 4.880 4.539 4.020 4.896 0.016 11 0 "[ . 1 . 2]" 1
599 1 46 LYS H 1 46 LYS HG3 . . 4.880 4.568 4.075 4.957 0.077 15 0 "[ . 1 . 2]" 1
600 1 46 LYS H 1 47 ARG H . . 3.420 2.336 1.907 2.860 . 0 0 "[ . 1 . 2]" 1
601 1 46 LYS H 1 48 THR H . . 4.140 3.550 2.564 4.240 0.100 12 0 "[ . 1 . 2]" 1
602 1 46 LYS HA 1 46 LYS HB2 . . 2.960 2.579 2.433 2.927 . 0 0 "[ . 1 . 2]" 1
603 1 46 LYS HA 1 46 LYS HB3 . . 2.960 2.987 2.724 3.020 0.060 4 0 "[ . 1 . 2]" 1
604 1 46 LYS HA 1 46 LYS HD2 . . 5.500 3.596 1.875 4.613 . 0 0 "[ . 1 . 2]" 1
605 1 46 LYS HA 1 46 LYS QD . . 4.980 3.153 1.856 4.094 . 0 0 "[ . 1 . 2]" 1
606 1 46 LYS HA 1 46 LYS HD3 . . 5.500 3.800 2.555 4.671 . 0 0 "[ . 1 . 2]" 1
607 1 46 LYS HB2 1 47 ARG H . . 3.610 3.533 3.187 3.746 0.136 7 0 "[ . 1 . 2]" 1
608 1 46 LYS HB3 1 47 ARG H . . 3.610 2.377 1.737 3.477 . 0 0 "[ . 1 . 2]" 1
609 1 47 ARG H 1 47 ARG HB2 . . 3.760 2.754 2.145 3.533 . 0 0 "[ . 1 . 2]" 1
610 1 47 ARG H 1 47 ARG QB . . 3.370 2.479 2.092 3.122 . 0 0 "[ . 1 . 2]" 1
611 1 47 ARG H 1 47 ARG HB3 . . 3.760 3.056 2.376 3.784 0.024 10 0 "[ . 1 . 2]" 1
612 1 47 ARG H 1 47 ARG HG2 . . 5.500 4.361 2.511 4.820 . 0 0 "[ . 1 . 2]" 1
613 1 47 ARG H 1 47 ARG HG3 . . 5.500 4.116 2.316 5.042 . 0 0 "[ . 1 . 2]" 1
614 1 47 ARG H 1 48 THR H . . 3.330 2.285 1.790 2.831 . 0 0 "[ . 1 . 2]" 1
615 1 47 ARG HA 1 47 ARG HD2 . . 5.500 3.722 2.031 4.811 . 0 0 "[ . 1 . 2]" 1
616 1 47 ARG HA 1 47 ARG HD3 . . 5.500 4.016 1.975 4.880 . 0 0 "[ . 1 . 2]" 1
617 1 47 ARG HA 1 47 ARG QG . . 3.870 2.569 2.031 3.022 . 0 0 "[ . 1 . 2]" 1
618 1 47 ARG HA 1 48 THR H . . 3.640 3.464 3.262 3.556 . 0 0 "[ . 1 . 2]" 1
619 1 47 ARG QB 1 47 ARG QD . . 3.420 2.269 2.104 2.367 . 0 0 "[ . 1 . 2]" 1
620 1 47 ARG QB 1 48 THR H . . 3.670 2.786 2.029 3.358 . 0 0 "[ . 1 . 2]" 1
621 1 47 ARG HB2 1 47 ARG HD2 . . 4.110 2.967 2.361 4.015 . 0 0 "[ . 1 . 2]" 1
622 1 47 ARG HB2 1 47 ARG HD3 . . 4.110 3.054 2.346 3.754 . 0 0 "[ . 1 . 2]" 1
623 1 47 ARG HB2 1 48 THR H . . 4.200 3.632 2.706 4.200 . 12 0 "[ . 1 . 2]" 1
624 1 47 ARG HB3 1 47 ARG HD2 . . 4.110 3.315 2.418 3.777 . 0 0 "[ . 1 . 2]" 1
625 1 47 ARG HB3 1 47 ARG HD3 . . 4.110 3.354 2.315 4.206 0.096 6 0 "[ . 1 . 2]" 1
626 1 47 ARG HB3 1 48 THR H . . 4.200 3.107 2.042 4.219 0.019 7 0 "[ . 1 . 2]" 1
627 1 47 ARG QG 1 48 THR H . . 4.980 4.021 3.360 4.528 . 0 0 "[ . 1 . 2]" 1
628 1 47 ARG HG2 1 48 THR H . . 5.500 4.684 3.475 5.329 . 0 0 "[ . 1 . 2]" 1
629 1 47 ARG HG3 1 48 THR H . . 5.500 4.531 3.685 5.338 . 0 0 "[ . 1 . 2]" 1
630 1 48 THR H 1 48 THR HB . . 3.730 2.990 2.426 3.753 0.023 11 0 "[ . 1 . 2]" 1
631 1 48 THR HA 1 48 THR MG . . 3.580 2.310 2.218 2.466 . 0 0 "[ . 1 . 2]" 1
632 1 48 THR HB 1 51 VAL QG . . 5.980 3.756 1.726 5.824 . 0 0 "[ . 1 . 2]" 1
633 1 48 THR MG 1 49 PRO HD2 . . 4.850 2.644 1.931 3.666 . 0 0 "[ . 1 . 2]" 1
634 1 48 THR MG 1 49 PRO QD . . 4.660 2.511 1.912 3.346 . 0 0 "[ . 1 . 2]" 1
635 1 48 THR MG 1 49 PRO HD3 . . 4.850 3.371 2.909 3.898 . 0 0 "[ . 1 . 2]" 1
636 1 48 THR MG 1 50 GLU H . . 4.790 2.548 1.780 4.505 . 0 0 "[ . 1 . 2]" 1
637 1 48 THR MG 1 51 VAL H . . 5.570 3.930 2.920 5.655 0.085 14 0 "[ . 1 . 2]" 1
638 1 50 GLU H 1 51 VAL H . . 3.550 3.392 2.456 3.777 0.227 19 0 "[ . 1 . 2]" 1
639 1 50 GLU QG 1 51 VAL H . . 5.110 3.842 1.867 4.889 . 0 0 "[ . 1 . 2]" 1
640 1 51 VAL H 1 51 VAL HB . . 3.080 2.738 2.567 2.984 . 0 0 "[ . 1 . 2]" 1
641 1 51 VAL H 1 52 SER H . . 3.050 2.400 1.702 2.777 . 0 0 "[ . 1 . 2]" 1
642 1 51 VAL HA 1 52 SER H . . 3.520 3.505 3.433 3.567 0.047 13 0 "[ . 1 . 2]" 1
643 1 51 VAL HB 1 52 SER H . . 3.050 2.619 1.764 3.069 0.019 19 0 "[ . 1 . 2]" 1
644 1 51 VAL HB 1 52 SER HA . . 4.200 4.132 3.587 4.350 0.150 15 0 "[ . 1 . 2]" 1
645 1 51 VAL QG 1 52 SER H . . 4.400 3.222 2.766 3.458 . 0 0 "[ . 1 . 2]" 1
646 1 51 VAL QG 1 52 SER HA . . 7.470 3.617 3.067 3.853 . 0 0 "[ . 1 . 2]" 1
647 1 51 VAL QG 1 52 SER QB . . 7.200 3.897 2.780 4.676 . 0 0 "[ . 1 . 2]" 1
648 1 51 VAL MG1 1 52 SER H . . 4.790 3.612 2.937 4.021 . 0 0 "[ . 1 . 2]" 1
649 1 51 VAL MG2 1 52 SER H . . 4.790 3.665 3.115 3.940 . 0 0 "[ . 1 . 2]" 1
650 1 52 SER H 1 52 SER HB2 . . 3.080 2.774 2.231 3.290 0.210 4 0 "[ . 1 . 2]" 1
651 1 52 SER H 1 52 SER QB . . 2.670 2.436 2.206 2.832 0.162 4 0 "[ . 1 . 2]" 1
652 1 52 SER H 1 52 SER HB3 . . 3.080 2.788 2.456 3.475 0.395 2 0 "[ . 1 . 2]" 1
653 1 52 SER H 1 53 ASP H . . 2.990 2.513 2.058 2.962 . 0 0 "[ . 1 . 2]" 1
654 1 52 SER HA 1 52 SER HB2 . . 2.990 2.601 2.442 3.003 0.013 9 0 "[ . 1 . 2]" 1
655 1 52 SER HA 1 52 SER HB3 . . 2.990 2.807 2.229 3.028 0.038 10 0 "[ . 1 . 2]" 1
656 1 52 SER HA 1 53 ASP H . . 3.450 3.423 3.269 3.547 0.097 2 0 "[ . 1 . 2]" 1
657 1 52 SER QB 1 53 ASP H . . 4.400 2.843 1.778 3.705 . 0 0 "[ . 1 . 2]" 1
658 1 53 ASP H 1 53 ASP HB2 . . 3.520 2.797 2.323 3.201 . 0 0 "[ . 1 . 2]" 1
659 1 53 ASP H 1 53 ASP QB . . 3.300 2.652 2.223 3.018 . 0 0 "[ . 1 . 2]" 1
660 1 53 ASP H 1 53 ASP HB3 . . 3.520 3.355 2.543 3.741 0.221 11 0 "[ . 1 . 2]" 1
661 1 53 ASP QB 1 110 ILE MD . . 4.210 3.380 2.200 4.008 . 0 0 "[ . 1 . 2]" 1
662 1 53 ASP HB2 1 110 ILE MD . . 4.510 4.174 2.999 4.602 0.092 7 0 "[ . 1 . 2]" 1
663 1 53 ASP HB3 1 110 ILE MD . . 4.510 3.675 2.231 4.505 . 0 0 "[ . 1 . 2]" 1
664 1 56 VAL H 1 56 VAL HA . . 2.930 2.809 2.269 2.948 0.018 20 0 "[ . 1 . 2]" 1
665 1 56 VAL H 1 56 VAL HB . . 3.890 2.752 2.459 3.664 . 0 0 "[ . 1 . 2]" 1
666 1 56 VAL H 1 56 VAL MG2 . . 4.510 2.436 1.837 2.870 . 0 0 "[ . 1 . 2]" 1
667 1 56 VAL H 1 57 MET H . . 3.300 2.430 1.923 3.390 0.090 7 0 "[ . 1 . 2]" 1
668 1 56 VAL HB 1 57 MET H . . 3.210 2.756 1.951 3.212 0.002 13 0 "[ . 1 . 2]" 1
669 1 56 VAL MG1 1 57 MET H . . 4.640 3.574 2.842 3.983 . 0 0 "[ . 1 . 2]" 1
670 1 56 VAL MG2 1 57 MET H . . 5.440 3.835 3.565 4.014 . 0 0 "[ . 1 . 2]" 1
671 1 57 MET H 1 57 MET HA . . 2.870 2.791 2.735 2.822 . 0 0 "[ . 1 . 2]" 1
672 1 57 MET H 1 57 MET HB2 . . 4.070 3.537 2.425 3.617 . 0 0 "[ . 1 . 2]" 1
673 1 57 MET H 1 57 MET QB . . 3.760 2.445 2.188 2.626 . 0 0 "[ . 1 . 2]" 1
674 1 57 MET H 1 57 MET HB3 . . 4.070 2.503 2.390 2.700 . 0 0 "[ . 1 . 2]" 1
675 1 57 MET H 1 57 MET ME . . 6.530 4.028 3.678 4.572 . 0 0 "[ . 1 . 2]" 1
676 1 57 MET H 1 57 MET HG2 . . 4.260 3.016 1.965 4.404 0.144 6 0 "[ . 1 . 2]" 1
677 1 57 MET H 1 57 MET QG . . 3.880 2.758 1.881 3.903 0.023 6 0 "[ . 1 . 2]" 1
678 1 57 MET H 1 57 MET HG3 . . 4.260 3.521 1.890 4.359 0.099 6 0 "[ . 1 . 2]" 1
679 1 57 MET H 1 58 ILE H . . 4.010 2.722 2.592 2.955 . 0 0 "[ . 1 . 2]" 1
680 1 57 MET HA 1 57 MET HG2 . . 4.200 3.735 3.147 4.220 0.020 13 0 "[ . 1 . 2]" 1
681 1 57 MET HA 1 57 MET QG . . 3.890 3.383 2.425 3.514 . 0 0 "[ . 1 . 2]" 1
682 1 57 MET HA 1 57 MET HG3 . . 4.200 3.938 2.522 4.254 0.054 14 0 "[ . 1 . 2]" 1
683 1 57 MET HA 1 59 GLY H . . 4.200 4.135 3.684 4.268 0.068 16 0 "[ . 1 . 2]" 1
684 1 57 MET QB 1 116 LEU QD . . 6.750 3.515 1.971 5.082 . 0 0 "[ . 1 . 2]" 1
685 1 57 MET ME 1 58 ILE MD . . 5.540 2.493 2.003 3.621 . 0 0 "[ . 1 . 2]" 1
686 1 57 MET ME 1 110 ILE MD . . 5.940 3.299 2.130 5.637 . 0 0 "[ . 1 . 2]" 1
687 1 57 MET ME 1 110 ILE MG . . 6.440 3.789 2.135 6.375 . 0 0 "[ . 1 . 2]" 1
688 1 57 MET ME 1 116 LEU QB . . 5.950 4.618 3.260 5.974 0.024 9 0 "[ . 1 . 2]" 1
689 1 57 MET ME 1 116 LEU MD1 . . 5.350 3.516 2.054 4.968 . 0 0 "[ . 1 . 2]" 1
690 1 57 MET ME 1 116 LEU QD . . 5.020 2.893 2.048 4.520 . 0 0 "[ . 1 . 2]" 1
691 1 57 MET ME 1 116 LEU MD2 . . 5.350 3.291 2.171 5.199 . 0 0 "[ . 1 . 2]" 1
692 1 57 MET QG 1 116 LEU QD . . 4.040 2.969 2.171 3.788 . 0 0 "[ . 1 . 2]" 1
693 1 57 MET HG2 1 116 LEU MD1 . . 5.740 4.478 2.421 5.769 0.029 3 0 "[ . 1 . 2]" 1
694 1 57 MET HG2 1 116 LEU MD2 . . 5.740 4.239 2.354 5.758 0.018 18 0 "[ . 1 . 2]" 1
695 1 57 MET HG3 1 116 LEU MD1 . . 5.740 4.377 2.484 5.548 . 0 0 "[ . 1 . 2]" 1
696 1 57 MET HG3 1 116 LEU MD2 . . 5.740 3.966 2.359 5.370 . 0 0 "[ . 1 . 2]" 1
697 1 58 ILE H 1 58 ILE HB . . 3.610 2.524 2.356 2.601 . 0 0 "[ . 1 . 2]" 1
698 1 58 ILE H 1 58 ILE MD . . 5.750 3.132 1.776 3.524 . 0 0 "[ . 1 . 2]" 1
699 1 58 ILE H 1 58 ILE HG12 . . 5.030 2.215 1.969 3.872 . 0 0 "[ . 1 . 2]" 1
700 1 58 ILE H 1 58 ILE QG . . 4.160 2.166 1.958 3.174 . 0 0 "[ . 1 . 2]" 1
701 1 58 ILE H 1 58 ILE HG13 . . 5.030 3.591 3.371 3.864 . 0 0 "[ . 1 . 2]" 1
702 1 58 ILE H 1 59 GLY H . . 3.640 2.693 2.513 2.864 . 0 0 "[ . 1 . 2]" 1
703 1 58 ILE H 1 61 LEU QB . . 5.050 4.657 4.251 4.972 . 0 0 "[ . 1 . 2]" 1
704 1 58 ILE HA 1 58 ILE MD . . 3.460 2.037 1.809 2.975 . 0 0 "[ . 1 . 2]" 1
705 1 58 ILE HA 1 61 LEU H . . 4.570 3.550 3.251 3.710 . 0 0 "[ . 1 . 2]" 1
706 1 58 ILE HA 1 61 LEU HB2 . . 3.610 3.350 2.869 3.664 0.054 15 0 "[ . 1 . 2]" 1
707 1 58 ILE HA 1 61 LEU QB . . 3.180 2.641 2.219 2.930 . 0 0 "[ . 1 . 2]" 1
708 1 58 ILE HA 1 61 LEU HB3 . . 3.610 2.772 2.286 3.089 . 0 0 "[ . 1 . 2]" 1
709 1 58 ILE HA 1 61 LEU QD . . 5.460 3.217 2.755 3.569 . 0 0 "[ . 1 . 2]" 1
710 1 58 ILE HB 1 59 GLY H . . 3.550 2.696 2.532 2.896 . 0 0 "[ . 1 . 2]" 1
711 1 58 ILE MD 1 59 GLY H . . 6.530 4.617 3.915 4.743 . 0 0 "[ . 1 . 2]" 1
712 1 58 ILE MD 1 95 THR HB . . 5.380 4.393 3.052 5.412 0.032 5 0 "[ . 1 . 2]" 1
713 1 58 ILE MD 1 95 THR MG . . 5.420 3.377 2.389 4.647 . 0 0 "[ . 1 . 2]" 1
714 1 58 ILE MG 1 59 GLY H . . 6.030 3.459 3.226 3.642 . 0 0 "[ . 1 . 2]" 1
715 1 58 ILE MG 1 62 LEU MD1 . . 6.130 2.332 1.931 2.605 . 0 0 "[ . 1 . 2]" 1
716 1 58 ILE MG 1 62 LEU QD . . 5.740 2.238 1.794 2.517 . 0 0 "[ . 1 . 2]" 1
717 1 58 ILE MG 1 62 LEU MD2 . . 6.130 2.927 2.129 3.357 . 0 0 "[ . 1 . 2]" 1
718 1 58 ILE MG 1 62 LEU HG . . 5.260 4.679 4.012 5.077 . 0 0 "[ . 1 . 2]" 1
719 1 58 ILE MG 1 72 VAL MG1 . . 5.910 3.662 2.641 4.393 . 0 0 "[ . 1 . 2]" 1
720 1 58 ILE MG 1 72 VAL QG . . 5.440 3.267 2.331 3.862 . 0 0 "[ . 1 . 2]" 1
721 1 58 ILE MG 1 72 VAL MG2 . . 5.910 3.715 2.593 4.439 . 0 0 "[ . 1 . 2]" 1
722 1 59 GLY H 1 60 GLU H . . 3.300 2.632 2.494 2.833 . 0 0 "[ . 1 . 2]" 1
723 1 60 GLU H 1 60 GLU HB2 . . 3.520 2.685 2.353 3.587 0.067 14 0 "[ . 1 . 2]" 1
724 1 60 GLU H 1 60 GLU QB . . 3.340 2.507 2.321 2.834 . 0 0 "[ . 1 . 2]" 1
725 1 60 GLU H 1 60 GLU HB3 . . 3.520 3.455 2.615 3.588 0.068 10 0 "[ . 1 . 2]" 1
726 1 60 GLU H 1 60 GLU HG2 . . 3.550 2.341 1.865 3.349 . 0 0 "[ . 1 . 2]" 1
727 1 60 GLU H 1 60 GLU QG . . 3.310 2.098 1.851 2.323 . 0 0 "[ . 1 . 2]" 1
728 1 60 GLU H 1 60 GLU HG3 . . 3.550 3.249 2.086 3.644 0.094 1 0 "[ . 1 . 2]" 1
729 1 60 GLU H 1 61 LEU H . . 3.360 2.484 2.361 2.625 . 0 0 "[ . 1 . 2]" 1
730 1 60 GLU HA 1 60 GLU HB2 . . 3.050 2.942 2.451 3.025 . 0 0 "[ . 1 . 2]" 1
731 1 60 GLU HA 1 60 GLU HB3 . . 3.050 2.427 2.316 2.526 . 0 0 "[ . 1 . 2]" 1
732 1 60 GLU HA 1 60 GLU HG2 . . 4.110 3.115 2.478 3.718 . 0 0 "[ . 1 . 2]" 1
733 1 60 GLU HA 1 60 GLU QG . . 3.840 2.950 2.392 3.444 . 0 0 "[ . 1 . 2]" 1
734 1 60 GLU HA 1 60 GLU HG3 . . 4.110 3.685 3.156 4.221 0.111 13 0 "[ . 1 . 2]" 1
735 1 60 GLU QG 1 61 LEU H . . 5.260 3.730 2.356 4.259 . 0 0 "[ . 1 . 2]" 1
736 1 61 LEU H 1 61 LEU HB2 . . 3.490 2.491 2.377 2.619 . 0 0 "[ . 1 . 2]" 1
737 1 61 LEU H 1 61 LEU QB . . 3.310 2.213 2.176 2.234 . 0 0 "[ . 1 . 2]" 1
738 1 61 LEU H 1 61 LEU HB3 . . 3.490 2.485 2.380 2.604 . 0 0 "[ . 1 . 2]" 1
739 1 61 LEU H 1 61 LEU HG . . 5.500 4.467 4.389 4.530 . 0 0 "[ . 1 . 2]" 1
740 1 61 LEU H 1 62 LEU H . . 3.610 2.710 2.525 2.864 . 0 0 "[ . 1 . 2]" 1
741 1 61 LEU HA 1 117 ILE MD . . 6.220 4.965 4.225 5.559 . 0 0 "[ . 1 . 2]" 1
742 1 61 LEU QB 1 62 LEU H . . 3.290 2.395 2.211 2.643 . 0 0 "[ . 1 . 2]" 1
743 1 61 LEU QB 1 117 ILE QG . . 5.580 4.313 3.865 5.503 . 0 0 "[ . 1 . 2]" 1
744 1 61 LEU HB2 1 62 LEU H . . 3.860 3.767 3.625 3.894 0.034 12 0 "[ . 1 . 2]" 1
745 1 61 LEU HB3 1 62 LEU H . . 3.860 2.423 2.230 2.689 . 0 0 "[ . 1 . 2]" 1
746 1 61 LEU QD 1 62 LEU H . . 7.630 3.782 3.464 4.007 . 0 0 "[ . 1 . 2]" 1
747 1 61 LEU QD 1 113 TRP HH2 . . 5.770 2.427 1.969 2.786 . 0 0 "[ . 1 . 2]" 1
748 1 61 LEU QD 1 116 LEU QD . . 6.840 2.163 1.763 3.608 . 0 0 "[ . 1 . 2]" 1
749 1 61 LEU QD 1 116 LEU HG . . 5.520 3.167 1.791 4.949 . 0 0 "[ . 1 . 2]" 1
750 1 61 LEU QD 1 117 ILE HA . . 5.490 2.285 1.773 3.334 . 0 0 "[ . 1 . 2]" 1
751 1 61 LEU QD 1 117 ILE MD . . 8.880 3.600 2.913 4.927 . 0 0 "[ . 1 . 2]" 1
752 1 61 LEU QD 1 117 ILE QG . . 7.400 2.388 1.871 3.711 . 0 0 "[ . 1 . 2]" 1
753 1 61 LEU MD1 1 116 LEU MD1 . . 9.050 3.739 2.125 5.396 . 0 0 "[ . 1 . 2]" 1
754 1 61 LEU MD1 1 116 LEU MD2 . . 9.050 4.236 2.332 6.670 . 0 0 "[ . 1 . 2]" 1
755 1 61 LEU MD2 1 116 LEU MD1 . . 9.050 2.624 1.794 3.761 . 0 0 "[ . 1 . 2]" 1
756 1 61 LEU MD2 1 116 LEU MD2 . . 9.050 3.242 2.087 5.546 . 0 0 "[ . 1 . 2]" 1
757 1 61 LEU HG 1 62 LEU H . . 4.410 3.650 3.256 3.996 . 0 0 "[ . 1 . 2]" 1
758 1 62 LEU H 1 62 LEU HB2 . . 3.670 2.211 2.150 2.260 . 0 0 "[ . 1 . 2]" 1
759 1 62 LEU H 1 62 LEU QB . . 3.350 2.188 2.130 2.236 . 0 0 "[ . 1 . 2]" 1
760 1 62 LEU H 1 62 LEU HB3 . . 3.670 3.506 3.464 3.539 . 0 0 "[ . 1 . 2]" 1
761 1 62 LEU H 1 62 LEU MD1 . . 4.980 2.267 2.178 2.395 . 0 0 "[ . 1 . 2]" 1
762 1 62 LEU H 1 62 LEU QD . . 4.530 2.248 2.166 2.368 . 0 0 "[ . 1 . 2]" 1
763 1 62 LEU H 1 62 LEU MD2 . . 4.980 3.763 3.614 3.909 . 0 0 "[ . 1 . 2]" 1
764 1 62 LEU H 1 62 LEU HG . . 4.110 4.013 3.907 4.131 0.021 14 0 "[ . 1 . 2]" 1
765 1 62 LEU H 1 63 ARG H . . 3.520 2.666 2.559 2.789 . 0 0 "[ . 1 . 2]" 1
766 1 62 LEU HA 1 62 LEU MD1 . . 4.450 2.315 2.082 2.472 . 0 0 "[ . 1 . 2]" 1
767 1 62 LEU HA 1 62 LEU QD . . 3.770 2.295 2.072 2.441 . 0 0 "[ . 1 . 2]" 1
768 1 62 LEU HA 1 62 LEU MD2 . . 4.450 3.800 3.779 3.834 . 0 0 "[ . 1 . 2]" 1
769 1 62 LEU HA 1 62 LEU HG . . 3.760 2.553 2.473 2.656 . 0 0 "[ . 1 . 2]" 1
770 1 62 LEU HA 1 63 ARG H . . 3.610 3.459 3.440 3.492 . 0 0 "[ . 1 . 2]" 1
771 1 62 LEU QB 1 63 ARG H . . 4.040 2.954 2.888 3.014 . 0 0 "[ . 1 . 2]" 1
772 1 62 LEU QB 1 70 TRP HD1 . . 4.800 3.305 2.718 3.740 . 0 0 "[ . 1 . 2]" 1
773 1 62 LEU HB2 1 63 ARG H . . 4.200 3.129 3.043 3.229 . 0 0 "[ . 1 . 2]" 1
774 1 62 LEU HB3 1 63 ARG H . . 4.200 3.631 3.551 3.699 . 0 0 "[ . 1 . 2]" 1
775 1 62 LEU QD 1 63 ARG H . . 6.130 4.016 3.942 4.083 . 0 0 "[ . 1 . 2]" 1
776 1 62 LEU QD 1 70 TRP HD1 . . 6.610 3.721 3.005 4.199 . 0 0 "[ . 1 . 2]" 1
777 1 62 LEU QD 1 72 VAL QG . . 9.010 2.322 2.065 2.785 . 0 0 "[ . 1 . 2]" 1
778 1 62 LEU QD 1 120 MET ME . . 6.090 2.668 2.023 3.342 . 0 0 "[ . 1 . 2]" 1
779 1 62 LEU MD1 1 63 ARG H . . 6.530 4.248 4.160 4.328 . 0 0 "[ . 1 . 2]" 1
780 1 62 LEU MD2 1 63 ARG H . . 6.530 4.947 4.832 5.013 . 0 0 "[ . 1 . 2]" 1
781 1 62 LEU HG 1 63 ARG H . . 5.500 5.277 5.224 5.322 . 0 0 "[ . 1 . 2]" 1
782 1 62 LEU HG 1 70 TRP HB2 . . 4.140 3.660 2.387 4.194 0.054 1 0 "[ . 1 . 2]" 1
783 1 62 LEU HG 1 70 TRP QB . . 3.760 3.120 2.256 3.517 . 0 0 "[ . 1 . 2]" 1
784 1 62 LEU HG 1 70 TRP HB3 . . 4.140 3.423 2.779 3.891 . 0 0 "[ . 1 . 2]" 1
785 1 62 LEU HG 1 70 TRP HD1 . . 4.720 4.006 3.084 4.775 0.055 3 0 "[ . 1 . 2]" 1
786 1 62 LEU HG 1 72 VAL QG . . 5.390 4.487 4.049 5.129 . 0 0 "[ . 1 . 2]" 1
787 1 62 LEU HG 1 120 MET ME . . 4.140 3.619 2.450 4.209 0.069 10 0 "[ . 1 . 2]" 1
788 1 63 ARG H 1 63 ARG HB2 . . 3.920 2.356 2.114 2.603 . 0 0 "[ . 1 . 2]" 1
789 1 63 ARG H 1 63 ARG QB . . 3.560 2.323 2.095 2.546 . 0 0 "[ . 1 . 2]" 1
790 1 63 ARG H 1 63 ARG HB3 . . 3.920 3.555 3.429 3.626 . 0 0 "[ . 1 . 2]" 1
791 1 63 ARG H 1 63 ARG HD2 . . 5.500 4.661 3.774 5.140 . 0 0 "[ . 1 . 2]" 1
792 1 63 ARG H 1 63 ARG HD3 . . 5.500 4.083 3.262 4.892 . 0 0 "[ . 1 . 2]" 1
793 1 63 ARG H 1 63 ARG HG2 . . 4.230 2.792 1.898 3.874 . 0 0 "[ . 1 . 2]" 1
794 1 63 ARG H 1 63 ARG QG . . 3.690 2.531 1.887 3.106 . 0 0 "[ . 1 . 2]" 1
795 1 63 ARG H 1 63 ARG HG3 . . 4.230 3.563 2.403 4.230 . 0 0 "[ . 1 . 2]" 1
796 1 63 ARG H 1 64 GLU H . . 3.330 2.726 2.492 2.868 . 0 0 "[ . 1 . 2]" 1
797 1 63 ARG HA 1 63 ARG HD2 . . 5.500 3.311 1.864 4.657 . 0 0 "[ . 1 . 2]" 1
798 1 63 ARG HA 1 63 ARG HD3 . . 5.500 2.511 1.745 4.588 . 0 0 "[ . 1 . 2]" 1
799 1 63 ARG HA 1 63 ARG QG . . 3.650 2.679 2.237 3.020 . 0 0 "[ . 1 . 2]" 1
800 1 63 ARG HA 1 64 GLU H . . 3.550 3.403 3.362 3.480 . 0 0 "[ . 1 . 2]" 1
801 1 63 ARG HB2 1 64 GLU H . . 4.410 3.424 3.207 3.699 . 0 0 "[ . 1 . 2]" 1
802 1 63 ARG HB3 1 64 GLU H . . 4.410 4.033 3.721 4.268 . 0 0 "[ . 1 . 2]" 1
803 1 63 ARG QG 1 64 GLU H . . 6.380 4.534 4.239 4.839 . 0 0 "[ . 1 . 2]" 1
804 1 64 GLU H 1 64 GLU HG2 . . 4.200 2.604 2.209 4.398 0.198 9 0 "[ . 1 . 2]" 1
805 1 64 GLU H 1 64 GLU QG . . 3.550 2.504 2.166 3.828 0.278 2 0 "[ . 1 . 2]" 1
806 1 64 GLU H 1 64 GLU HG3 . . 4.200 3.534 3.117 4.216 0.016 2 0 "[ . 1 . 2]" 1
807 1 64 GLU H 1 65 PHE H . . 2.930 2.555 2.426 2.811 . 0 0 "[ . 1 . 2]" 1
808 1 64 GLU HA 1 65 PHE H . . 3.610 3.401 3.026 3.544 . 0 0 "[ . 1 . 2]" 1
809 1 64 GLU QB 1 65 PHE H . . 4.480 3.293 2.553 4.020 . 0 0 "[ . 1 . 2]" 1
810 1 64 GLU HB2 1 65 PHE H . . 4.850 3.699 2.617 4.471 . 0 0 "[ . 1 . 2]" 1
811 1 64 GLU HB3 1 65 PHE H . . 4.850 3.902 2.715 4.556 . 0 0 "[ . 1 . 2]" 1
812 1 64 GLU QG 1 65 PHE H . . 4.630 3.543 2.785 4.316 . 0 0 "[ . 1 . 2]" 1
813 1 64 GLU QG 1 124 VAL QG . . 6.550 4.857 3.568 6.098 . 0 0 "[ . 1 . 2]" 1
814 1 64 GLU HG2 1 65 PHE H . . 5.280 4.076 3.249 4.788 . 0 0 "[ . 1 . 2]" 1
815 1 64 GLU HG3 1 65 PHE H . . 5.280 4.021 2.977 5.287 0.007 12 0 "[ . 1 . 2]" 1
816 1 65 PHE HA 1 67 ASP H . . 4.200 3.395 3.068 4.284 0.084 8 0 "[ . 1 . 2]" 1
817 1 65 PHE QB 1 67 ASP H . . 4.710 3.774 3.165 4.370 . 0 0 "[ . 1 . 2]" 1
818 1 66 PRO HA 1 68 TYR H . . 4.850 3.815 3.283 4.958 0.108 8 0 "[ . 1 . 2]" 1
819 1 66 PRO QB 1 67 ASP H . . 4.430 3.484 2.339 3.886 . 0 0 "[ . 1 . 2]" 1
820 1 66 PRO QD 1 67 ASP H . . 5.100 2.420 1.800 2.854 . 0 0 "[ . 1 . 2]" 1
821 1 66 PRO HD2 1 67 ASP H . . 5.500 2.455 1.807 2.922 . 0 0 "[ . 1 . 2]" 1
822 1 66 PRO HD3 1 67 ASP H . . 5.500 3.712 3.406 3.997 . 0 0 "[ . 1 . 2]" 1
823 1 66 PRO QG 1 67 ASP H . . 5.300 3.441 2.419 4.040 . 0 0 "[ . 1 . 2]" 1
824 1 66 PRO HG2 1 67 ASP H . . 5.500 3.596 2.450 4.388 . 0 0 "[ . 1 . 2]" 1
825 1 66 PRO HG3 1 67 ASP H . . 5.500 4.497 3.729 4.852 . 0 0 "[ . 1 . 2]" 1
826 1 67 ASP H 1 67 ASP HB2 . . 3.240 2.612 2.281 3.104 . 0 0 "[ . 1 . 2]" 1
827 1 67 ASP H 1 67 ASP QB . . 2.900 2.284 2.227 2.392 . 0 0 "[ . 1 . 2]" 1
828 1 67 ASP H 1 67 ASP HB3 . . 3.240 2.590 2.380 3.504 0.264 1 0 "[ . 1 . 2]" 1
829 1 67 ASP H 1 68 TYR H . . 2.900 2.379 2.008 2.608 . 0 0 "[ . 1 . 2]" 1
830 1 67 ASP H 1 68 TYR QB . . 4.860 4.290 3.810 4.869 0.009 4 0 "[ . 1 . 2]" 1
831 1 67 ASP HA 1 68 TYR H . . 3.300 3.390 3.193 3.439 0.139 4 0 "[ . 1 . 2]" 1
832 1 67 ASP QB 1 68 TYR H . . 3.760 2.990 2.798 3.409 . 0 0 "[ . 1 . 2]" 1
833 1 67 ASP HB2 1 68 TYR H . . 4.170 4.026 2.949 4.213 0.043 19 0 "[ . 1 . 2]" 1
834 1 67 ASP HB3 1 68 TYR H . . 4.170 3.121 2.883 3.768 . 0 0 "[ . 1 . 2]" 1
835 1 68 TYR H 1 68 TYR HB2 . . 3.520 2.669 2.201 3.755 0.235 4 0 "[ . 1 . 2]" 1
836 1 68 TYR H 1 68 TYR QB . . 3.160 2.477 2.178 3.176 0.016 4 0 "[ . 1 . 2]" 1
837 1 68 TYR H 1 68 TYR HB3 . . 3.520 3.193 2.652 3.706 0.186 6 0 "[ . 1 . 2]" 1
838 1 68 TYR H 1 69 THR H . . 4.230 4.305 4.142 4.445 0.215 14 0 "[ . 1 . 2]" 1
839 1 68 TYR H 1 70 TRP HE1 . . 5.310 4.275 3.286 5.361 0.051 4 0 "[ . 1 . 2]" 1
840 1 68 TYR HA 1 69 THR H . . 2.930 2.324 2.134 2.966 0.036 16 0 "[ . 1 . 2]" 1
841 1 68 TYR QB 1 69 THR H . . 4.090 3.146 2.069 3.886 . 0 0 "[ . 1 . 2]" 1
842 1 68 TYR HB2 1 69 THR H . . 4.570 4.080 3.017 4.591 0.021 8 0 "[ . 1 . 2]" 1
843 1 68 TYR HB3 1 69 THR H . . 4.570 3.354 2.084 4.278 . 0 0 "[ . 1 . 2]" 1
844 1 68 TYR QD 1 69 THR H . . 7.640 3.252 1.737 4.231 . 0 0 "[ . 1 . 2]" 1
845 1 68 TYR QD 1 99 THR MG . . 7.860 4.910 2.738 7.012 . 0 0 "[ . 1 . 2]" 1
846 1 68 TYR QE 1 99 THR MG . . 6.950 4.589 2.068 6.888 . 0 0 "[ . 1 . 2]" 1
847 1 69 THR H 1 69 THR HB . . 3.610 3.462 2.678 3.714 0.104 20 0 "[ . 1 . 2]" 1
848 1 69 THR H 1 70 TRP H . . 4.380 4.335 3.976 4.533 0.153 19 0 "[ . 1 . 2]" 1
849 1 69 THR HA 1 69 THR HB . . 2.590 2.519 2.351 2.603 0.013 6 0 "[ . 1 . 2]" 1
850 1 69 THR HA 1 70 TRP H . . 2.870 2.144 2.070 2.290 . 0 0 "[ . 1 . 2]" 1
851 1 69 THR HB 1 70 TRP H . . 3.640 3.645 3.065 3.897 0.257 12 0 "[ . 1 . 2]" 1
852 1 69 THR MG 1 70 TRP H . . 4.920 3.882 3.347 4.090 . 0 0 "[ . 1 . 2]" 1
853 1 70 TRP H 1 70 TRP HB2 . . 4.070 2.467 2.361 2.657 . 0 0 "[ . 1 . 2]" 1
854 1 70 TRP H 1 70 TRP QB . . 3.840 2.429 2.331 2.608 . 0 0 "[ . 1 . 2]" 1
855 1 70 TRP H 1 70 TRP HB3 . . 4.070 3.644 3.581 3.786 . 0 0 "[ . 1 . 2]" 1
856 1 70 TRP H 1 70 TRP HD1 . . 3.860 2.756 2.289 3.527 . 0 0 "[ . 1 . 2]" 1
857 1 70 TRP HH2 1 97 VAL MG2 . . 4.570 3.309 2.687 4.174 . 0 0 "[ . 1 . 2]" 1
858 1 70 TRP HH2 1 99 THR MG . . 4.330 3.502 2.275 4.423 0.093 1 0 "[ . 1 . 2]" 1
859 1 70 TRP HH2 1 120 MET ME . . 3.640 2.793 2.275 3.508 . 0 0 "[ . 1 . 2]" 1
860 1 70 TRP HH2 1 124 VAL QG . . 5.300 2.149 1.788 2.870 . 0 0 "[ . 1 . 2]" 1
861 1 70 TRP HZ2 1 120 MET ME . . 3.740 3.536 2.844 3.798 0.058 10 0 "[ . 1 . 2]" 1
862 1 70 TRP HZ2 1 124 VAL QG . . 5.670 2.991 2.405 3.632 . 0 0 "[ . 1 . 2]" 1
863 1 70 TRP HZ3 1 97 VAL MG2 . . 3.800 2.365 1.789 3.373 . 0 0 "[ . 1 . 2]" 1
864 1 70 TRP HZ3 1 120 MET ME . . 4.050 3.284 2.507 4.028 . 0 0 "[ . 1 . 2]" 1
865 1 71 GLN H 1 71 GLN HB2 . . 3.920 2.330 2.162 2.661 . 0 0 "[ . 1 . 2]" 1
866 1 71 GLN H 1 71 GLN QB . . 3.660 2.281 2.138 2.604 . 0 0 "[ . 1 . 2]" 1
867 1 71 GLN H 1 71 GLN HB3 . . 3.920 3.418 2.616 3.735 . 0 0 "[ . 1 . 2]" 1
868 1 71 GLN H 1 71 GLN QG . . 5.080 3.455 2.175 4.102 . 0 0 "[ . 1 . 2]" 1
869 1 71 GLN HA 1 72 VAL H . . 2.770 2.145 2.090 2.193 . 0 0 "[ . 1 . 2]" 1
870 1 71 GLN QB 1 72 VAL H . . 4.320 3.600 3.321 3.925 . 0 0 "[ . 1 . 2]" 1
871 1 71 GLN HB2 1 72 VAL H . . 4.600 4.493 4.278 4.627 0.027 4 0 "[ . 1 . 2]" 1
872 1 71 GLN HB3 1 72 VAL H . . 4.600 3.797 3.437 4.248 . 0 0 "[ . 1 . 2]" 1
873 1 71 GLN HE22 1 71 GLN HG2 . . 4.070 3.568 3.452 3.802 . 0 0 "[ . 1 . 2]" 1
874 1 71 GLN HE22 1 71 GLN HG3 . . 4.070 3.794 3.468 4.086 0.016 9 0 "[ . 1 . 2]" 1
875 1 71 GLN QG 1 72 VAL H . . 4.910 3.912 2.922 4.428 . 0 0 "[ . 1 . 2]" 1
876 1 71 GLN HG2 1 72 VAL H . . 5.250 5.014 4.370 5.393 0.143 20 0 "[ . 1 . 2]" 1
877 1 71 GLN HG3 1 72 VAL H . . 5.250 4.248 2.955 5.355 0.105 3 0 "[ . 1 . 2]" 1
878 1 72 VAL H 1 72 VAL HB . . 3.360 2.611 2.539 2.662 . 0 0 "[ . 1 . 2]" 1
879 1 72 VAL H 1 72 VAL QG . . 4.050 2.231 2.136 2.324 . 0 0 "[ . 1 . 2]" 1
880 1 72 VAL H 1 73 ALA H . . 4.880 4.317 4.198 4.449 . 0 0 "[ . 1 . 2]" 1
881 1 72 VAL HA 1 73 ALA H . . 3.080 2.133 2.106 2.156 . 0 0 "[ . 1 . 2]" 1
882 1 72 VAL HB 1 73 ALA H . . 5.440 4.278 4.166 4.373 . 0 0 "[ . 1 . 2]" 1
883 1 72 VAL QG 1 73 ALA H . . 5.190 2.952 2.702 3.110 . 0 0 "[ . 1 . 2]" 1
884 1 72 VAL QG 1 74 ILE MG . . 8.650 2.762 2.284 3.223 . 0 0 "[ . 1 . 2]" 1
885 1 72 VAL MG1 1 73 ALA H . . 5.880 3.016 2.741 3.203 . 0 0 "[ . 1 . 2]" 1
886 1 72 VAL MG2 1 73 ALA H . . 5.880 4.205 4.096 4.251 . 0 0 "[ . 1 . 2]" 1
887 1 73 ALA H 1 74 ILE H . . 4.940 4.409 4.336 4.471 . 0 0 "[ . 1 . 2]" 1
888 1 73 ALA HA 1 74 ILE H . . 2.710 2.171 2.127 2.236 . 0 0 "[ . 1 . 2]" 1
889 1 73 ALA HA 1 74 ILE MG . . 5.290 3.823 3.531 3.997 . 0 0 "[ . 1 . 2]" 1
890 1 74 ILE H 1 74 ILE HB . . 4.040 3.767 3.698 3.827 . 0 0 "[ . 1 . 2]" 1
891 1 74 ILE H 1 74 ILE MD . . 5.160 3.788 3.658 3.897 . 0 0 "[ . 1 . 2]" 1
892 1 74 ILE H 1 74 ILE HG12 . . 4.720 2.109 1.940 2.246 . 0 0 "[ . 1 . 2]" 1
893 1 74 ILE H 1 74 ILE QG . . 4.420 2.061 1.909 2.192 . 0 0 "[ . 1 . 2]" 1
894 1 74 ILE H 1 74 ILE HG13 . . 4.720 2.910 2.806 3.055 . 0 0 "[ . 1 . 2]" 1
895 1 74 ILE HA 1 74 ILE HB . . 2.990 2.505 2.455 2.564 . 0 0 "[ . 1 . 2]" 1
896 1 74 ILE HA 1 74 ILE MG . . 3.520 2.292 2.230 2.349 . 0 0 "[ . 1 . 2]" 1
897 1 74 ILE HA 1 75 ALA H . . 2.620 2.257 2.216 2.349 . 0 0 "[ . 1 . 2]" 1
898 1 74 ILE HB 1 74 ILE MD . . 3.430 2.466 2.422 2.509 . 0 0 "[ . 1 . 2]" 1
899 1 74 ILE HB 1 75 ALA H . . 4.070 2.860 2.531 2.962 . 0 0 "[ . 1 . 2]" 1
900 1 74 ILE MG 1 75 ALA H . . 5.720 3.705 3.582 3.799 . 0 0 "[ . 1 . 2]" 1
901 1 75 ALA HA 1 76 ASP H . . 2.990 2.330 2.196 2.437 . 0 0 "[ . 1 . 2]" 1
902 1 75 ALA MB 1 76 ASP H . . 4.330 2.493 2.235 2.847 . 0 0 "[ . 1 . 2]" 1
903 1 75 ALA MB 1 79 GLN QB . . 4.590 2.360 1.767 3.962 . 0 0 "[ . 1 . 2]" 1
904 1 75 ALA MB 1 80 SER H . . 5.660 3.131 2.677 3.691 . 0 0 "[ . 1 . 2]" 1
905 1 75 ALA MB 1 83 ILE MD . . 5.200 2.361 1.897 2.969 . 0 0 "[ . 1 . 2]" 1
906 1 76 ASP H 1 76 ASP HB2 . . 3.950 2.670 2.245 3.676 . 0 0 "[ . 1 . 2]" 1
907 1 76 ASP H 1 76 ASP QB . . 3.560 2.381 2.179 2.728 . 0 0 "[ . 1 . 2]" 1
908 1 76 ASP H 1 76 ASP HB3 . . 3.950 3.034 2.291 3.607 . 0 0 "[ . 1 . 2]" 1
909 1 76 ASP QB 1 77 LEU H . . 3.270 2.647 1.861 3.313 0.043 9 0 "[ . 1 . 2]" 1
910 1 76 ASP HB2 1 77 LEU H . . 3.670 3.443 1.869 3.805 0.135 17 0 "[ . 1 . 2]" 1
911 1 76 ASP HB3 1 77 LEU H . . 3.670 2.966 1.966 3.754 0.084 1 0 "[ . 1 . 2]" 1
912 1 77 LEU H 1 77 LEU HB2 . . 3.830 2.459 2.276 2.738 . 0 0 "[ . 1 . 2]" 1
913 1 77 LEU H 1 77 LEU HB3 . . 3.830 2.921 2.230 3.598 . 0 0 "[ . 1 . 2]" 1
914 1 77 LEU H 1 77 LEU MD1 . . 5.130 3.828 1.752 4.269 . 0 0 "[ . 1 . 2]" 1
915 1 77 LEU H 1 77 LEU MD2 . . 5.130 3.929 3.178 4.297 . 0 0 "[ . 1 . 2]" 1
916 1 77 LEU H 1 77 LEU HG . . 4.380 3.657 1.819 4.462 0.082 20 0 "[ . 1 . 2]" 1
917 1 77 LEU H 1 78 GLU H . . 3.580 2.788 2.482 2.967 . 0 0 "[ . 1 . 2]" 1
918 1 77 LEU HA 1 77 LEU QD . . 4.080 2.416 1.992 3.021 . 0 0 "[ . 1 . 2]" 1
919 1 77 LEU QB 1 78 GLU H . . 3.700 2.389 2.183 2.643 . 0 0 "[ . 1 . 2]" 1
920 1 77 LEU HB2 1 77 LEU HG . . 2.990 2.702 2.455 3.017 0.027 9 0 "[ . 1 . 2]" 1
921 1 77 LEU HB2 1 78 GLU H . . 4.070 3.264 2.309 3.904 . 0 0 "[ . 1 . 2]" 1
922 1 77 LEU HB3 1 77 LEU HG . . 2.990 2.830 2.449 3.020 0.030 17 0 "[ . 1 . 2]" 1
923 1 77 LEU HB3 1 78 GLU H . . 4.070 2.796 2.205 3.631 . 0 0 "[ . 1 . 2]" 1
924 1 77 LEU QD 1 78 GLU H . . 8.100 3.608 3.005 4.042 . 0 0 "[ . 1 . 2]" 1
925 1 77 LEU HG 1 78 GLU H . . 5.500 4.190 2.850 4.937 . 0 0 "[ . 1 . 2]" 1
926 1 78 GLU H 1 78 GLU HB2 . . 3.580 2.472 2.332 2.591 . 0 0 "[ . 1 . 2]" 1
927 1 78 GLU H 1 78 GLU QB . . 3.310 2.430 2.303 2.533 . 0 0 "[ . 1 . 2]" 1
928 1 78 GLU H 1 78 GLU HB3 . . 3.580 3.589 3.549 3.610 0.030 18 0 "[ . 1 . 2]" 1
929 1 78 GLU H 1 78 GLU HG2 . . 3.670 3.264 2.183 3.676 0.006 9 0 "[ . 1 . 2]" 1
930 1 78 GLU H 1 78 GLU QG . . 3.290 2.231 1.943 2.485 . 0 0 "[ . 1 . 2]" 1
931 1 78 GLU H 1 78 GLU HG3 . . 3.670 2.454 1.959 3.715 0.045 7 0 "[ . 1 . 2]" 1
932 1 78 GLU H 1 79 GLN H . . 2.800 2.535 2.409 2.811 0.011 14 0 "[ . 1 . 2]" 1
933 1 78 GLU HA 1 78 GLU HB2 . . 2.990 3.016 3.007 3.022 0.032 10 0 "[ . 1 . 2]" 1
934 1 78 GLU HA 1 78 GLU HB3 . . 2.990 2.472 2.413 2.556 . 0 0 "[ . 1 . 2]" 1
935 1 78 GLU HA 1 78 GLU HG2 . . 3.640 2.617 2.365 3.107 . 0 0 "[ . 1 . 2]" 1
936 1 78 GLU HA 1 78 GLU QG . . 3.440 2.497 2.302 2.962 . 0 0 "[ . 1 . 2]" 1
937 1 78 GLU HA 1 78 GLU HG3 . . 3.640 3.186 2.879 3.730 0.090 3 0 "[ . 1 . 2]" 1
938 1 78 GLU QB 1 79 GLN H . . 3.740 2.687 2.418 2.969 . 0 0 "[ . 1 . 2]" 1
939 1 78 GLU HB2 1 79 GLN H . . 4.040 2.754 2.467 3.065 . 0 0 "[ . 1 . 2]" 1
940 1 78 GLU HB3 1 79 GLN H . . 4.040 3.761 3.415 3.973 . 0 0 "[ . 1 . 2]" 1
941 1 78 GLU QG 1 79 GLN H . . 6.010 4.058 3.905 4.251 . 0 0 "[ . 1 . 2]" 1
942 1 79 GLN H 1 80 SER H . . 3.490 2.593 2.406 2.893 . 0 0 "[ . 1 . 2]" 1
943 1 79 GLN HA 1 82 ALA H . . 3.980 3.439 2.992 3.746 . 0 0 "[ . 1 . 2]" 1
944 1 79 GLN HA 1 82 ALA MB . . 3.710 2.811 2.363 3.447 . 0 0 "[ . 1 . 2]" 1
945 1 79 GLN HB2 1 80 SER H . . 4.940 2.926 2.335 4.138 . 0 0 "[ . 1 . 2]" 1
946 1 79 GLN HB3 1 80 SER H . . 4.940 3.566 2.599 4.082 . 0 0 "[ . 1 . 2]" 1
947 1 80 SER H 1 80 SER QB . . 3.760 2.560 2.421 2.725 . 0 0 "[ . 1 . 2]" 1
948 1 80 SER H 1 81 GLU H . . 3.520 2.654 2.450 2.838 . 0 0 "[ . 1 . 2]" 1
949 1 80 SER H 1 82 ALA H . . 4.140 4.143 3.919 4.273 0.133 20 0 "[ . 1 . 2]" 1
950 1 80 SER HA 1 81 GLU H . . 3.490 3.521 3.469 3.545 0.055 4 0 "[ . 1 . 2]" 1
951 1 81 GLU H 1 81 GLU HB2 . . 3.490 2.385 2.150 2.593 . 0 0 "[ . 1 . 2]" 1
952 1 81 GLU H 1 81 GLU QB . . 3.270 2.303 2.100 2.536 . 0 0 "[ . 1 . 2]" 1
953 1 81 GLU H 1 81 GLU HB3 . . 3.490 3.210 2.511 3.589 0.099 20 0 "[ . 1 . 2]" 1
954 1 81 GLU H 1 81 GLU HG2 . . 4.970 3.509 1.979 4.565 . 0 0 "[ . 1 . 2]" 1
955 1 81 GLU H 1 81 GLU QG . . 4.770 2.991 1.967 4.036 . 0 0 "[ . 1 . 2]" 1
956 1 81 GLU H 1 81 GLU HG3 . . 4.970 3.592 2.102 4.521 . 0 0 "[ . 1 . 2]" 1
957 1 81 GLU H 1 82 ALA H . . 3.240 2.703 2.560 2.822 . 0 0 "[ . 1 . 2]" 1
958 1 81 GLU H 1 82 ALA MB . . 5.600 4.395 4.274 4.510 . 0 0 "[ . 1 . 2]" 1
959 1 81 GLU HA 1 82 ALA H . . 3.550 3.529 3.502 3.550 0.000 18 0 "[ . 1 . 2]" 1
960 1 81 GLU HA 1 83 ILE H . . 4.540 4.541 4.363 4.616 0.076 9 0 "[ . 1 . 2]" 1
961 1 81 GLU HB2 1 82 ALA H . . 3.580 3.030 2.306 3.710 0.130 14 0 "[ . 1 . 2]" 1
962 1 81 GLU HB3 1 82 ALA H . . 3.580 3.118 2.337 3.654 0.074 13 0 "[ . 1 . 2]" 1
963 1 82 ALA H 1 82 ALA MB . . 3.430 2.248 2.228 2.266 . 0 0 "[ . 1 . 2]" 1
964 1 82 ALA H 1 83 ILE H . . 2.990 2.610 2.478 2.759 . 0 0 "[ . 1 . 2]" 1
965 1 82 ALA HA 1 85 ASP HB2 . . 3.360 3.339 2.717 3.489 0.129 8 0 "[ . 1 . 2]" 1
966 1 82 ALA HA 1 85 ASP HB3 . . 3.240 2.607 2.123 2.909 . 0 0 "[ . 1 . 2]" 1
967 1 82 ALA MB 1 83 ILE H . . 3.430 2.568 2.416 2.734 . 0 0 "[ . 1 . 2]" 1
968 1 83 ILE H 1 83 ILE HB . . 2.770 2.471 2.375 2.545 . 0 0 "[ . 1 . 2]" 1
969 1 83 ILE H 1 83 ILE MD . . 4.050 3.628 3.532 3.743 . 0 0 "[ . 1 . 2]" 1
970 1 83 ILE H 1 83 ILE HG12 . . 4.010 3.527 3.396 3.769 . 0 0 "[ . 1 . 2]" 1
971 1 83 ILE H 1 83 ILE HG13 . . 3.020 2.273 2.096 2.538 . 0 0 "[ . 1 . 2]" 1
972 1 83 ILE H 1 83 ILE MG . . 4.540 3.766 3.736 3.781 . 0 0 "[ . 1 . 2]" 1
973 1 83 ILE H 1 84 GLY H . . 3.490 2.699 2.607 2.821 . 0 0 "[ . 1 . 2]" 1
974 1 83 ILE HA 1 83 ILE MD . . 4.420 3.809 3.777 3.838 . 0 0 "[ . 1 . 2]" 1
975 1 83 ILE HA 1 83 ILE HG12 . . 3.550 2.483 2.422 2.539 . 0 0 "[ . 1 . 2]" 1
976 1 83 ILE HA 1 83 ILE HG13 . . 3.020 2.928 2.804 3.006 . 0 0 "[ . 1 . 2]" 1
977 1 83 ILE HA 1 83 ILE MG . . 3.430 2.474 2.414 2.564 . 0 0 "[ . 1 . 2]" 1
978 1 83 ILE HA 1 84 GLY H . . 3.550 3.555 3.539 3.579 0.029 17 0 "[ . 1 . 2]" 1
979 1 83 ILE HA 1 86 ARG QB . . 4.090 2.863 2.102 3.754 . 0 0 "[ . 1 . 2]" 1
980 1 83 ILE HB 1 83 ILE MD . . 3.610 2.427 2.403 2.462 . 0 0 "[ . 1 . 2]" 1
981 1 83 ILE HB 1 84 GLY H . . 3.800 2.545 2.421 2.653 . 0 0 "[ . 1 . 2]" 1
982 1 83 ILE MD 1 84 GLY H . . 5.100 4.557 4.453 4.640 . 0 0 "[ . 1 . 2]" 1
983 1 83 ILE MG 1 84 GLY H . . 6.060 3.219 2.975 3.390 . 0 0 "[ . 1 . 2]" 1
984 1 83 ILE MG 1 96 LEU QB . . 5.270 5.131 4.742 5.358 0.088 13 0 "[ . 1 . 2]" 1
985 1 83 ILE MG 1 96 LEU QD . . 6.210 3.509 3.002 4.116 . 0 0 "[ . 1 . 2]" 1
986 1 84 GLY H 1 85 ASP H . . 3.580 2.699 2.535 2.825 . 0 0 "[ . 1 . 2]" 1
987 1 84 GLY H 1 86 ARG H . . 4.790 4.197 3.967 4.446 . 0 0 "[ . 1 . 2]" 1
988 1 84 GLY QA 1 89 VAL H . . 4.550 3.279 2.749 3.825 . 0 0 "[ . 1 . 2]" 1
989 1 84 GLY QA 1 89 VAL HB . . 3.800 2.812 1.787 3.462 . 0 0 "[ . 1 . 2]" 1
990 1 84 GLY HA2 1 89 VAL HB . . 4.140 2.998 1.824 3.709 . 0 0 "[ . 1 . 2]" 1
991 1 84 GLY HA3 1 89 VAL HB . . 4.140 3.506 2.461 4.222 0.082 10 0 "[ . 1 . 2]" 1
992 1 85 ASP H 1 85 ASP HB2 . . 2.990 2.451 2.322 2.592 . 0 0 "[ . 1 . 2]" 1
993 1 85 ASP H 1 85 ASP HB3 . . 3.240 2.574 2.446 2.741 . 0 0 "[ . 1 . 2]" 1
994 1 85 ASP H 1 86 ARG H . . 3.330 2.751 2.612 2.924 . 0 0 "[ . 1 . 2]" 1
995 1 85 ASP H 1 86 ARG QB . . 5.480 4.459 4.258 4.739 . 0 0 "[ . 1 . 2]" 1
996 1 85 ASP HA 1 85 ASP HB2 . . 2.800 2.481 2.404 2.565 . 0 0 "[ . 1 . 2]" 1
997 1 85 ASP HA 1 85 ASP HB3 . . 3.020 3.024 3.015 3.028 0.008 19 0 "[ . 1 . 2]" 1
998 1 85 ASP HB2 1 86 ARG H . . 3.760 3.782 3.566 3.864 0.104 3 0 "[ . 1 . 2]" 1
999 1 85 ASP HB3 1 86 ARG H . . 3.420 2.498 2.314 2.654 . 0 0 "[ . 1 . 2]" 1
1000 1 86 ARG H 1 86 ARG HA . . 2.800 2.800 2.733 2.844 0.044 11 0 "[ . 1 . 2]" 1
1001 1 86 ARG H 1 86 ARG HB2 . . 3.210 2.430 2.106 2.647 . 0 0 "[ . 1 . 2]" 1
1002 1 86 ARG H 1 86 ARG QB . . 3.010 2.203 2.063 2.469 . 0 0 "[ . 1 . 2]" 1
1003 1 86 ARG H 1 86 ARG HB3 . . 3.210 2.699 2.243 3.532 0.322 12 0 "[ . 1 . 2]" 1
1004 1 86 ARG H 1 86 ARG HD2 . . 5.500 4.773 3.846 5.812 0.312 6 0 "[ . 1 . 2]" 1
1005 1 86 ARG H 1 86 ARG QD . . 4.880 4.232 3.502 4.557 . 0 0 "[ . 1 . 2]" 1
1006 1 86 ARG H 1 86 ARG HD3 . . 5.500 4.839 3.794 5.773 0.273 18 0 "[ . 1 . 2]" 1
1007 1 86 ARG H 1 86 ARG HG2 . . 5.130 4.281 3.333 4.512 . 0 0 "[ . 1 . 2]" 1
1008 1 86 ARG H 1 86 ARG QG . . 4.390 3.666 2.076 3.987 . 0 0 "[ . 1 . 2]" 1
1009 1 86 ARG H 1 86 ARG HG3 . . 5.130 4.066 2.097 4.527 . 0 0 "[ . 1 . 2]" 1
1010 1 86 ARG H 1 87 PHE H . . 3.610 2.665 2.532 2.869 . 0 0 "[ . 1 . 2]" 1
1011 1 86 ARG HA 1 86 ARG HG2 . . 3.520 3.059 2.290 3.609 0.089 14 0 "[ . 1 . 2]" 1
1012 1 86 ARG HA 1 86 ARG QG . . 3.280 2.450 2.207 2.646 . 0 0 "[ . 1 . 2]" 1
1013 1 86 ARG HA 1 86 ARG HG3 . . 3.520 2.656 2.433 3.109 . 0 0 "[ . 1 . 2]" 1
1014 1 86 ARG HA 1 87 PHE H . . 3.450 3.492 3.464 3.532 0.082 12 0 "[ . 1 . 2]" 1
1015 1 86 ARG QB 1 87 PHE H . . 3.520 2.799 2.260 3.085 . 0 0 "[ . 1 . 2]" 1
1016 1 86 ARG HB2 1 86 ARG HD2 . . 3.860 2.687 2.380 3.729 . 0 0 "[ . 1 . 2]" 1
1017 1 86 ARG HB2 1 86 ARG HD3 . . 3.860 2.973 2.304 3.629 . 0 0 "[ . 1 . 2]" 1
1018 1 86 ARG HB2 1 87 PHE H . . 4.040 3.776 2.296 4.085 0.045 19 0 "[ . 1 . 2]" 1
1019 1 86 ARG HB3 1 86 ARG HD2 . . 3.860 3.121 2.460 3.861 0.001 6 0 "[ . 1 . 2]" 1
1020 1 86 ARG HB3 1 86 ARG HD3 . . 3.860 2.714 2.306 3.753 . 0 0 "[ . 1 . 2]" 1
1021 1 86 ARG HB3 1 87 PHE H . . 4.040 3.009 2.687 3.803 . 0 0 "[ . 1 . 2]" 1
1022 1 86 ARG HG2 1 87 PHE H . . 5.500 4.283 3.582 5.211 . 0 0 "[ . 1 . 2]" 1
1023 1 86 ARG HG3 1 87 PHE H . . 5.500 4.808 4.174 5.057 . 0 0 "[ . 1 . 2]" 1
1024 1 87 PHE H 1 87 PHE HB2 . . 3.110 2.605 2.431 2.867 . 0 0 "[ . 1 . 2]" 1
1025 1 87 PHE H 1 87 PHE QB . . 2.920 2.337 2.283 2.408 . 0 0 "[ . 1 . 2]" 1
1026 1 87 PHE H 1 87 PHE HB3 . . 3.110 2.660 2.529 2.883 . 0 0 "[ . 1 . 2]" 1
1027 1 87 PHE H 1 88 GLY H . . 3.140 2.278 2.116 2.545 . 0 0 "[ . 1 . 2]" 1
1028 1 87 PHE HA 1 88 GLY H . . 3.610 3.491 3.295 3.568 . 0 0 "[ . 1 . 2]" 1
1029 1 87 PHE QB 1 89 VAL QG . . 5.570 2.536 1.785 3.649 . 0 0 "[ . 1 . 2]" 1
1030 1 87 PHE HB2 1 88 GLY H . . 4.040 3.834 3.452 4.061 0.021 9 0 "[ . 1 . 2]" 1
1031 1 87 PHE HB2 1 89 VAL MG1 . . 7.190 6.096 5.166 6.735 . 0 0 "[ . 1 . 2]" 1
1032 1 87 PHE HB2 1 89 VAL MG2 . . 7.190 4.070 3.165 6.091 . 0 0 "[ . 1 . 2]" 1
1033 1 87 PHE HB3 1 88 GLY H . . 4.040 2.763 2.071 3.517 . 0 0 "[ . 1 . 2]" 1
1034 1 87 PHE HB3 1 89 VAL MG1 . . 7.190 4.842 3.938 5.395 . 0 0 "[ . 1 . 2]" 1
1035 1 87 PHE HB3 1 89 VAL MG2 . . 7.190 2.637 1.794 4.787 . 0 0 "[ . 1 . 2]" 1
1036 1 87 PHE QD 1 89 VAL MG1 . . 8.530 4.431 3.676 4.988 . 0 0 "[ . 1 . 2]" 1
1037 1 87 PHE QD 1 89 VAL QG . . 7.960 2.123 1.780 3.701 . 0 0 "[ . 1 . 2]" 1
1038 1 87 PHE QD 1 89 VAL MG2 . . 8.530 2.140 1.782 3.962 . 0 0 "[ . 1 . 2]" 1
1039 1 87 PHE QD 1 96 LEU QD . . 10.220 4.119 3.088 5.262 . 0 0 "[ . 1 . 2]" 1
1040 1 87 PHE QE 1 89 VAL MG1 . . 7.440 5.392 4.300 6.046 . 0 0 "[ . 1 . 2]" 1
1041 1 87 PHE QE 1 89 VAL QG . . 7.090 3.403 2.487 4.631 . 0 0 "[ . 1 . 2]" 1
1042 1 87 PHE QE 1 89 VAL MG2 . . 7.440 3.448 2.503 4.808 . 0 0 "[ . 1 . 2]" 1
1043 1 87 PHE QE 1 96 LEU QD . . 9.660 4.496 3.127 6.177 . 0 0 "[ . 1 . 2]" 1
1044 1 87 PHE QE 1 106 VAL QG . . 9.740 6.231 4.315 7.820 . 0 0 "[ . 1 . 2]" 1
1045 1 87 PHE HZ 1 103 TYR H . . 5.130 4.550 2.749 5.203 0.073 12 0 "[ . 1 . 2]" 1
1046 1 87 PHE HZ 1 103 TYR QB . . 4.990 2.633 2.070 3.449 . 0 0 "[ . 1 . 2]" 1
1047 1 87 PHE HZ 1 103 TYR QD . . 7.640 3.573 2.716 4.372 . 0 0 "[ . 1 . 2]" 1
1048 1 88 GLY H 1 88 GLY HA2 . . 2.960 2.442 2.299 2.669 . 0 0 "[ . 1 . 2]" 1
1049 1 88 GLY H 1 88 GLY HA3 . . 2.960 2.938 2.845 2.959 . 0 0 "[ . 1 . 2]" 1
1050 1 88 GLY H 1 89 VAL H . . 2.960 2.120 1.821 2.594 . 0 0 "[ . 1 . 2]" 1
1051 1 88 GLY H 1 89 VAL QG . . 6.910 3.477 2.814 3.985 . 0 0 "[ . 1 . 2]" 1
1052 1 89 VAL H 1 89 VAL HB . . 3.170 2.648 2.527 2.813 . 0 0 "[ . 1 . 2]" 1
1053 1 89 VAL H 1 89 VAL MG1 . . 4.570 3.770 2.308 3.920 . 0 0 "[ . 1 . 2]" 1
1054 1 89 VAL H 1 89 VAL QG . . 3.890 2.391 2.034 2.771 . 0 0 "[ . 1 . 2]" 1
1055 1 89 VAL H 1 89 VAL MG2 . . 4.570 2.497 2.042 3.857 . 0 0 "[ . 1 . 2]" 1
1056 1 89 VAL QG 1 94 ALA MB . . 6.760 4.161 2.749 5.162 . 0 0 "[ . 1 . 2]" 1
1057 1 93 PRO HA 1 94 ALA H . . 3.140 2.141 2.083 2.455 . 0 0 "[ . 1 . 2]" 1
1058 1 93 PRO QD 1 94 ALA H . . 5.580 4.857 4.271 4.974 . 0 0 "[ . 1 . 2]" 1
1059 1 93 PRO HG2 1 94 ALA H . . 5.500 5.423 4.863 5.673 0.173 11 0 "[ . 1 . 2]" 1
1060 1 93 PRO HG3 1 94 ALA H . . 5.500 5.296 4.925 5.647 0.147 5 0 "[ . 1 . 2]" 1
1061 1 94 ALA H 1 106 VAL QG . . 6.230 4.762 4.242 5.282 . 0 0 "[ . 1 . 2]" 1
1062 1 94 ALA HA 1 95 THR H . . 3.170 2.537 2.164 2.716 . 0 0 "[ . 1 . 2]" 1
1063 1 94 ALA HA 1 106 VAL QG . . 6.010 4.176 2.904 5.256 . 0 0 "[ . 1 . 2]" 1
1064 1 94 ALA MB 1 96 LEU QD . . 7.820 3.095 2.459 3.538 . 0 0 "[ . 1 . 2]" 1
1065 1 94 ALA MB 1 106 VAL MG1 . . 5.540 3.483 1.853 4.400 . 0 0 "[ . 1 . 2]" 1
1066 1 94 ALA MB 1 106 VAL QG . . 4.910 2.081 1.761 2.902 . 0 0 "[ . 1 . 2]" 1
1067 1 94 ALA MB 1 106 VAL MG2 . . 5.540 2.465 1.767 4.000 . 0 0 "[ . 1 . 2]" 1
1068 1 95 THR H 1 95 THR HB . . 3.300 2.623 2.579 2.689 . 0 0 "[ . 1 . 2]" 1
1069 1 95 THR H 1 96 LEU QD . . 7.260 4.289 3.822 4.703 . 0 0 "[ . 1 . 2]" 1
1070 1 95 THR H 1 106 VAL QG . . 5.670 3.301 2.562 4.348 . 0 0 "[ . 1 . 2]" 1
1071 1 95 THR H 1 107 LEU H . . 3.670 3.242 2.667 3.690 0.020 16 0 "[ . 1 . 2]" 1
1072 1 95 THR H 1 107 LEU HB2 . . 4.910 3.312 2.632 3.918 . 0 0 "[ . 1 . 2]" 1
1073 1 95 THR HA 1 96 LEU H . . 2.740 2.156 2.141 2.174 . 0 0 "[ . 1 . 2]" 1
1074 1 95 THR HB 1 107 LEU H . . 5.310 3.138 2.347 3.463 . 0 0 "[ . 1 . 2]" 1
1075 1 95 THR HB 1 107 LEU HB2 . . 3.640 1.858 1.714 2.120 . 0 0 "[ . 1 . 2]" 1
1076 1 95 THR HB 1 107 LEU HB3 . . 3.610 3.407 3.216 3.632 0.022 13 0 "[ . 1 . 2]" 1
1077 1 95 THR HB 1 107 LEU HG . . 4.170 3.803 3.167 4.276 0.106 11 0 "[ . 1 . 2]" 1
1078 1 95 THR MG 1 96 LEU H . . 4.670 2.937 2.695 3.166 . 0 0 "[ . 1 . 2]" 1
1079 1 95 THR MG 1 96 LEU HA . . 4.950 4.085 3.925 4.213 . 0 0 "[ . 1 . 2]" 1
1080 1 95 THR MG 1 97 VAL MG1 . . 5.730 4.458 4.262 4.707 . 0 0 "[ . 1 . 2]" 1
1081 1 95 THR MG 1 107 LEU HB2 . . 3.770 3.288 2.896 3.651 . 0 0 "[ . 1 . 2]" 1
1082 1 96 LEU H 1 96 LEU QB . . 3.720 2.460 2.405 2.559 . 0 0 "[ . 1 . 2]" 1
1083 1 96 LEU H 1 96 LEU HG . . 3.610 2.844 2.349 3.675 0.065 1 0 "[ . 1 . 2]" 1
1084 1 96 LEU HA 1 96 LEU QD . . 4.180 2.277 1.973 2.958 . 0 0 "[ . 1 . 2]" 1
1085 1 96 LEU HA 1 97 VAL H . . 2.800 2.157 2.121 2.209 . 0 0 "[ . 1 . 2]" 1
1086 1 96 LEU HA 1 106 VAL HA . . 3.450 2.623 2.336 3.082 . 0 0 "[ . 1 . 2]" 1
1087 1 96 LEU QB 1 97 VAL H . . 4.460 3.262 2.958 3.424 . 0 0 "[ . 1 . 2]" 1
1088 1 96 LEU QB 1 98 PHE QE . . 7.940 2.619 2.096 3.586 . 0 0 "[ . 1 . 2]" 1
1089 1 96 LEU QB 1 103 TYR QE . . 7.150 2.933 1.881 4.149 . 0 0 "[ . 1 . 2]" 1
1090 1 96 LEU HB2 1 97 VAL H . . 5.220 4.229 4.051 4.355 . 0 0 "[ . 1 . 2]" 1
1091 1 96 LEU HB2 1 103 TYR QE . . 7.480 4.585 3.595 5.828 . 0 0 "[ . 1 . 2]" 1
1092 1 96 LEU HB3 1 97 VAL H . . 5.220 3.395 3.036 3.607 . 0 0 "[ . 1 . 2]" 1
1093 1 96 LEU HB3 1 103 TYR QE . . 7.480 2.973 1.888 4.247 . 0 0 "[ . 1 . 2]" 1
1094 1 96 LEU QD 1 97 VAL H . . 5.700 3.807 3.456 4.381 . 0 0 "[ . 1 . 2]" 1
1095 1 96 LEU QD 1 98 PHE QE . . 7.610 3.268 2.799 3.899 . 0 0 "[ . 1 . 2]" 1
1096 1 96 LEU QD 1 98 PHE HZ . . 5.030 2.858 2.183 4.864 . 0 0 "[ . 1 . 2]" 1
1097 1 96 LEU QD 1 103 TYR QD . . 10.240 3.508 2.727 4.449 . 0 0 "[ . 1 . 2]" 1
1098 1 96 LEU QD 1 103 TYR QE . . 7.390 2.230 1.774 3.303 . 0 0 "[ . 1 . 2]" 1
1099 1 96 LEU QD 1 106 VAL HA . . 5.800 3.192 2.638 4.425 . 0 0 "[ . 1 . 2]" 1
1100 1 96 LEU QD 1 106 VAL HB . . 5.770 3.251 2.125 5.416 . 0 0 "[ . 1 . 2]" 1
1101 1 96 LEU QD 1 106 VAL QG . . 6.140 2.165 1.781 3.748 . 0 0 "[ . 1 . 2]" 1
1102 1 96 LEU MD1 1 97 VAL H . . 6.530 5.080 4.805 5.338 . 0 0 "[ . 1 . 2]" 1
1103 1 96 LEU MD1 1 98 PHE QE . . 8.280 3.599 2.849 4.817 . 0 0 "[ . 1 . 2]" 1
1104 1 96 LEU MD1 1 98 PHE HZ . . 5.660 3.278 2.197 5.699 0.039 13 0 "[ . 1 . 2]" 1
1105 1 96 LEU MD1 1 103 TYR QE . . 8.440 3.658 2.622 5.264 . 0 0 "[ . 1 . 2]" 1
1106 1 96 LEU MD1 1 106 VAL MG1 . . 8.660 5.232 3.416 6.040 . 0 0 "[ . 1 . 2]" 1
1107 1 96 LEU MD1 1 106 VAL MG2 . . 8.660 4.084 2.355 6.325 . 0 0 "[ . 1 . 2]" 1
1108 1 96 LEU MD2 1 97 VAL H . . 6.530 3.995 3.527 4.986 . 0 0 "[ . 1 . 2]" 1
1109 1 96 LEU MD2 1 98 PHE QE . . 8.280 4.281 3.373 5.380 . 0 0 "[ . 1 . 2]" 1
1110 1 96 LEU MD2 1 98 PHE HZ . . 5.660 4.154 2.558 5.617 . 0 0 "[ . 1 . 2]" 1
1111 1 96 LEU MD2 1 103 TYR QE . . 8.440 2.282 1.791 3.338 . 0 0 "[ . 1 . 2]" 1
1112 1 96 LEU MD2 1 106 VAL MG1 . . 8.660 3.724 1.792 6.190 . 0 0 "[ . 1 . 2]" 1
1113 1 96 LEU MD2 1 106 VAL MG2 . . 8.660 2.565 1.809 4.809 . 0 0 "[ . 1 . 2]" 1
1114 1 96 LEU HG 1 106 VAL QG . . 6.290 3.491 2.266 4.101 . 0 0 "[ . 1 . 2]" 1
1115 1 97 VAL H 1 97 VAL HB . . 3.140 3.010 2.907 3.150 0.010 5 0 "[ . 1 . 2]" 1
1116 1 97 VAL H 1 97 VAL MG1 . . 3.830 1.996 1.922 2.126 . 0 0 "[ . 1 . 2]" 1
1117 1 97 VAL H 1 98 PHE H . . 4.540 4.419 4.331 4.519 . 0 0 "[ . 1 . 2]" 1
1118 1 97 VAL H 1 103 TYR QE . . 7.420 4.128 3.377 4.906 . 0 0 "[ . 1 . 2]" 1
1119 1 97 VAL H 1 104 ARG H . . 4.880 4.567 4.080 4.886 0.006 9 0 "[ . 1 . 2]" 1
1120 1 97 VAL H 1 105 GLY H . . 3.920 3.421 3.137 3.821 . 0 0 "[ . 1 . 2]" 1
1121 1 97 VAL H 1 106 VAL HA . . 3.700 3.181 2.911 3.631 . 0 0 "[ . 1 . 2]" 1
1122 1 97 VAL H 1 106 VAL QG . . 6.690 4.316 3.830 4.936 . 0 0 "[ . 1 . 2]" 1
1123 1 97 VAL H 1 123 LEU QD . . 7.820 4.357 3.778 4.852 . 0 0 "[ . 1 . 2]" 1
1124 1 97 VAL HA 1 98 PHE H . . 3.050 2.133 2.104 2.198 . 0 0 "[ . 1 . 2]" 1
1125 1 97 VAL HB 1 120 MET ME . . 4.510 3.576 2.746 4.330 . 0 0 "[ . 1 . 2]" 1
1126 1 97 VAL HB 1 123 LEU QD . . 5.560 4.136 3.473 4.945 . 0 0 "[ . 1 . 2]" 1
1127 1 97 VAL MG1 1 98 PHE H . . 4.670 4.028 3.882 4.155 . 0 0 "[ . 1 . 2]" 1
1128 1 97 VAL MG1 1 120 MET ME . . 4.460 3.717 3.068 4.504 0.044 19 0 "[ . 1 . 2]" 1
1129 1 97 VAL MG1 1 123 LEU QD . . 6.740 2.216 1.777 3.047 . 0 0 "[ . 1 . 2]" 1
1130 1 97 VAL MG2 1 98 PHE H . . 4.510 2.628 2.411 2.825 . 0 0 "[ . 1 . 2]" 1
1131 1 97 VAL MG2 1 104 ARG H . . 5.810 4.293 3.819 5.175 . 0 0 "[ . 1 . 2]" 1
1132 1 97 VAL MG2 1 120 MET ME . . 4.460 2.377 1.957 3.074 . 0 0 "[ . 1 . 2]" 1
1133 1 97 VAL MG2 1 123 LEU QD . . 7.420 3.822 3.414 4.771 . 0 0 "[ . 1 . 2]" 1
1134 1 98 PHE H 1 98 PHE HB2 . . 4.010 2.699 2.486 3.771 . 0 0 "[ . 1 . 2]" 1
1135 1 98 PHE H 1 98 PHE HB3 . . 3.800 3.750 3.583 3.815 0.015 1 0 "[ . 1 . 2]" 1
1136 1 98 PHE HA 1 99 THR H . . 3.140 2.251 2.109 2.566 . 0 0 "[ . 1 . 2]" 1
1137 1 98 PHE HA 1 104 ARG H . . 3.670 2.644 2.092 3.415 . 0 0 "[ . 1 . 2]" 1
1138 1 98 PHE HB2 1 99 THR H . . 4.010 3.853 3.178 4.163 0.153 2 0 "[ . 1 . 2]" 1
1139 1 98 PHE HB3 1 99 THR H . . 4.110 2.974 2.042 3.950 . 0 0 "[ . 1 . 2]" 1
1140 1 98 PHE QD 1 99 THR H . . 7.620 4.096 3.609 4.559 . 0 0 "[ . 1 . 2]" 1
1141 1 98 PHE QD 1 104 ARG H . . 7.620 3.983 3.120 4.921 . 0 0 "[ . 1 . 2]" 1
1142 1 99 THR H 1 99 THR MG . . 4.670 3.554 2.543 4.043 . 0 0 "[ . 1 . 2]" 1
1143 1 99 THR H 1 102 ASN H . . 3.610 3.159 2.784 3.700 0.090 17 0 "[ . 1 . 2]" 1
1144 1 99 THR HA 1 100 GLY H . . 3.110 2.256 2.102 2.734 . 0 0 "[ . 1 . 2]" 1
1145 1 99 THR HA 1 102 ASN H . . 4.480 4.390 4.138 4.612 0.132 5 0 "[ . 1 . 2]" 1
1146 1 99 THR HB 1 100 GLY H . . 3.390 3.313 2.115 3.675 0.285 7 0 "[ . 1 . 2]" 1
1147 1 99 THR MG 1 100 GLY H . . 5.190 2.975 1.722 3.959 . 0 0 "[ . 1 . 2]" 1
1148 1 100 GLY H 1 101 GLY H . . 4.290 2.826 2.461 4.190 . 0 0 "[ . 1 . 2]" 1
1149 1 101 GLY H 1 102 ASN H . . 3.520 2.584 2.220 3.097 . 0 0 "[ . 1 . 2]" 1
1150 1 101 GLY HA2 1 102 ASN H . . 3.580 3.168 2.550 3.560 . 0 0 "[ . 1 . 2]" 1
1151 1 101 GLY HA3 1 102 ASN H . . 3.580 3.335 2.894 3.567 . 0 0 "[ . 1 . 2]" 1
1152 1 102 ASN H 1 102 ASN HB2 . . 3.110 2.580 2.263 3.099 . 0 0 "[ . 1 . 2]" 1
1153 1 102 ASN H 1 102 ASN HB3 . . 3.730 3.675 3.439 3.848 0.118 17 0 "[ . 1 . 2]" 1
1154 1 102 ASN H 1 102 ASN HD21 . . 3.420 3.164 2.462 3.694 0.274 5 0 "[ . 1 . 2]" 1
1155 1 102 ASN H 1 103 TYR H . . 4.570 4.493 4.385 4.607 0.037 18 0 "[ . 1 . 2]" 1
1156 1 102 ASN HA 1 102 ASN HB2 . . 2.960 2.941 2.650 3.020 0.060 14 0 "[ . 1 . 2]" 1
1157 1 102 ASN HA 1 102 ASN HB3 . . 2.900 2.637 2.438 2.966 0.066 18 0 "[ . 1 . 2]" 1
1158 1 102 ASN HA 1 102 ASN HD21 . . 4.200 2.827 1.722 3.977 . 0 0 "[ . 1 . 2]" 1
1159 1 102 ASN HA 1 103 TYR H . . 2.870 2.387 2.145 2.904 0.034 18 0 "[ . 1 . 2]" 1
1160 1 102 ASN HB2 1 102 ASN HD21 . . 3.450 2.632 2.152 3.480 0.030 13 0 "[ . 1 . 2]" 1
1161 1 102 ASN HB2 1 103 TYR H . . 4.010 3.775 3.345 4.067 0.057 9 0 "[ . 1 . 2]" 1
1162 1 102 ASN HB3 1 103 TYR H . . 3.490 2.533 2.000 3.170 . 0 0 "[ . 1 . 2]" 1
1163 1 102 ASN HD21 1 103 TYR H . . 5.070 4.596 3.446 5.310 0.240 2 0 "[ . 1 . 2]" 1
1164 1 103 TYR H 1 103 TYR HB2 . . 3.210 2.665 2.392 3.224 0.014 10 0 "[ . 1 . 2]" 1
1165 1 103 TYR H 1 103 TYR HB3 . . 3.210 2.456 2.267 2.666 . 0 0 "[ . 1 . 2]" 1
1166 1 103 TYR H 1 104 ARG H . . 4.690 4.445 4.242 4.582 . 0 0 "[ . 1 . 2]" 1
1167 1 103 TYR HA 1 104 ARG H . . 2.830 2.156 2.102 2.233 . 0 0 "[ . 1 . 2]" 1
1168 1 103 TYR QD 1 104 ARG H . . 7.610 3.547 3.033 3.961 . 0 0 "[ . 1 . 2]" 1
1169 1 103 TYR QE 1 105 GLY H . . 6.920 4.028 3.702 4.626 . 0 0 "[ . 1 . 2]" 1
1170 1 104 ARG H 1 104 ARG HB2 . . 3.730 2.549 2.159 2.885 . 0 0 "[ . 1 . 2]" 1
1171 1 104 ARG H 1 104 ARG HG2 . . 5.500 3.796 2.443 5.046 . 0 0 "[ . 1 . 2]" 1
1172 1 104 ARG H 1 104 ARG HG3 . . 5.500 4.207 3.656 4.679 . 0 0 "[ . 1 . 2]" 1
1173 1 104 ARG H 1 105 GLY H . . 3.210 2.292 1.744 2.524 . 0 0 "[ . 1 . 2]" 1
1174 1 104 ARG HA 1 123 LEU QD . . 5.990 4.341 3.578 5.389 . 0 0 "[ . 1 . 2]" 1
1175 1 104 ARG HB3 1 105 GLY H . . 4.200 3.042 2.144 4.210 0.010 8 0 "[ . 1 . 2]" 1
1176 1 104 ARG QG 1 105 GLY H . . 5.170 3.972 3.453 4.631 . 0 0 "[ . 1 . 2]" 1
1177 1 104 ARG HG2 1 105 GLY H . . 5.500 4.572 4.102 5.447 . 0 0 "[ . 1 . 2]" 1
1178 1 104 ARG HG3 1 105 GLY H . . 5.500 4.460 3.579 5.117 . 0 0 "[ . 1 . 2]" 1
1179 1 105 GLY H 1 106 VAL H . . 4.630 4.348 4.262 4.485 . 0 0 "[ . 1 . 2]" 1
1180 1 105 GLY H 1 106 VAL QG . . 8.090 4.917 4.217 5.221 . 0 0 "[ . 1 . 2]" 1
1181 1 105 GLY H 1 123 LEU QD . . 6.300 3.489 2.872 4.309 . 0 0 "[ . 1 . 2]" 1
1182 1 105 GLY QA 1 106 VAL H . . 2.700 2.243 2.110 2.284 . 0 0 "[ . 1 . 2]" 1
1183 1 105 GLY QA 1 123 LEU QD . . 5.910 2.024 1.762 2.411 . 0 0 "[ . 1 . 2]" 1
1184 1 105 GLY HA2 1 106 VAL H . . 3.050 2.678 2.150 2.902 . 0 0 "[ . 1 . 2]" 1
1185 1 105 GLY HA2 1 123 LEU MD1 . . 7.590 3.836 3.002 4.399 . 0 0 "[ . 1 . 2]" 1
1186 1 105 GLY HA2 1 123 LEU MD2 . . 7.590 3.479 2.091 4.225 . 0 0 "[ . 1 . 2]" 1
1187 1 105 GLY HA3 1 106 VAL H . . 3.050 2.468 2.274 3.065 0.015 8 0 "[ . 1 . 2]" 1
1188 1 105 GLY HA3 1 123 LEU MD1 . . 7.590 2.492 1.900 3.122 . 0 0 "[ . 1 . 2]" 1
1189 1 105 GLY HA3 1 123 LEU MD2 . . 7.590 2.375 1.783 3.160 . 0 0 "[ . 1 . 2]" 1
1190 1 106 VAL H 1 106 VAL HB . . 3.240 3.134 2.686 3.635 0.395 19 0 "[ . 1 . 2]" 1
1191 1 106 VAL H 1 106 VAL MG1 . . 4.640 2.574 2.124 3.906 . 0 0 "[ . 1 . 2]" 1
1192 1 106 VAL H 1 106 VAL QG . . 3.770 2.271 1.929 2.754 . 0 0 "[ . 1 . 2]" 1
1193 1 106 VAL H 1 106 VAL MG2 . . 4.640 3.571 1.953 3.949 . 0 0 "[ . 1 . 2]" 1
1194 1 106 VAL H 1 107 LEU H . . 4.450 4.338 4.234 4.426 . 0 0 "[ . 1 . 2]" 1
1195 1 106 VAL H 1 123 LEU MD1 . . 4.480 3.073 2.110 3.669 . 0 0 "[ . 1 . 2]" 1
1196 1 106 VAL H 1 123 LEU QD . . 3.770 2.895 2.042 3.482 . 0 0 "[ . 1 . 2]" 1
1197 1 106 VAL H 1 123 LEU MD2 . . 4.480 3.647 2.722 4.503 0.023 16 0 "[ . 1 . 2]" 1
1198 1 106 VAL HA 1 107 LEU H . . 2.930 2.179 2.163 2.251 . 0 0 "[ . 1 . 2]" 1
1199 1 106 VAL HA 1 123 LEU QD . . 7.290 4.032 3.325 5.088 . 0 0 "[ . 1 . 2]" 1
1200 1 106 VAL HB 1 107 LEU H . . 4.690 4.056 2.892 4.160 . 0 0 "[ . 1 . 2]" 1
1201 1 106 VAL QG 1 107 LEU H . . 4.450 2.544 2.392 3.359 . 0 0 "[ . 1 . 2]" 1
1202 1 106 VAL MG1 1 107 LEU H . . 5.410 3.646 2.531 4.009 . 0 0 "[ . 1 . 2]" 1
1203 1 106 VAL MG2 1 107 LEU H . . 5.410 2.896 2.418 4.111 . 0 0 "[ . 1 . 2]" 1
1204 1 107 LEU H 1 107 LEU HB2 . . 3.890 2.495 2.366 2.739 . 0 0 "[ . 1 . 2]" 1
1205 1 107 LEU H 1 107 LEU MD1 . . 5.260 3.673 2.003 4.208 . 0 0 "[ . 1 . 2]" 1
1206 1 107 LEU H 1 107 LEU QD . . 4.470 3.169 1.999 3.624 . 0 0 "[ . 1 . 2]" 1
1207 1 107 LEU H 1 107 LEU MD2 . . 5.260 3.665 2.072 4.199 . 0 0 "[ . 1 . 2]" 1
1208 1 107 LEU H 1 107 LEU HG . . 3.760 2.935 2.615 3.992 0.232 18 0 "[ . 1 . 2]" 1
1209 1 107 LEU HA 1 107 LEU MD1 . . 4.540 3.703 1.978 3.880 . 0 0 "[ . 1 . 2]" 1
1210 1 107 LEU HA 1 107 LEU QD . . 3.940 2.110 1.941 3.050 . 0 0 "[ . 1 . 2]" 1
1211 1 107 LEU HA 1 107 LEU MD2 . . 4.540 2.232 1.946 3.695 . 0 0 "[ . 1 . 2]" 1
1212 1 107 LEU HB2 1 116 LEU QD . . 6.330 4.291 3.648 5.023 . 0 0 "[ . 1 . 2]" 1
1213 1 107 LEU QD 1 116 LEU QD . . 6.660 2.348 1.833 3.185 . 0 0 "[ . 1 . 2]" 1
1214 1 107 LEU QD 1 119 LEU H . . 7.140 4.944 4.378 5.447 . 0 0 "[ . 1 . 2]" 1
1215 1 107 LEU QD 1 119 LEU QD . . 8.490 3.264 2.320 4.238 . 0 0 "[ . 1 . 2]" 1
1216 1 107 LEU QD 1 120 MET H . . 5.030 3.551 3.060 4.228 . 0 0 "[ . 1 . 2]" 1
1217 1 107 LEU QD 1 120 MET HA . . 5.900 2.778 2.212 3.800 . 0 0 "[ . 1 . 2]" 1
1218 1 107 LEU MD1 1 116 LEU MD1 . . 8.800 3.118 2.007 5.657 . 0 0 "[ . 1 . 2]" 1
1219 1 107 LEU MD1 1 116 LEU MD2 . . 8.800 3.957 2.571 5.772 . 0 0 "[ . 1 . 2]" 1
1220 1 107 LEU MD1 1 120 MET H . . 5.380 4.831 3.268 5.423 0.043 19 0 "[ . 1 . 2]" 1
1221 1 107 LEU MD2 1 116 LEU MD1 . . 8.800 3.033 1.912 5.578 . 0 0 "[ . 1 . 2]" 1
1222 1 107 LEU MD2 1 116 LEU MD2 . . 8.800 3.836 2.269 4.936 . 0 0 "[ . 1 . 2]" 1
1223 1 107 LEU MD2 1 120 MET H . . 5.380 3.767 3.120 5.390 0.010 18 0 "[ . 1 . 2]" 1
1224 1 107 LEU HG 1 123 LEU QD . . 5.800 3.163 2.473 4.157 . 0 0 "[ . 1 . 2]" 1
1225 1 110 ILE HA 1 110 ILE MD . . 3.430 2.101 1.917 3.060 . 0 0 "[ . 1 . 2]" 1
1226 1 110 ILE HA 1 110 ILE HG12 . . 4.140 3.092 2.789 3.583 . 0 0 "[ . 1 . 2]" 1
1227 1 110 ILE HA 1 110 ILE HG13 . . 4.140 3.673 2.318 3.876 . 0 0 "[ . 1 . 2]" 1
1228 1 110 ILE HA 1 110 ILE MG . . 3.430 2.411 2.298 2.549 . 0 0 "[ . 1 . 2]" 1
1229 1 110 ILE HB 1 110 ILE HG12 . . 2.800 2.470 2.427 2.576 . 0 0 "[ . 1 . 2]" 1
1230 1 110 ILE HB 1 110 ILE QG . . 2.600 2.200 2.182 2.433 . 0 0 "[ . 1 . 2]" 1
1231 1 110 ILE HB 1 110 ILE HG13 . . 2.800 2.475 2.401 2.989 0.189 14 0 "[ . 1 . 2]" 1
1232 1 112 PRO HA 1 113 TRP H . . 3.020 2.203 2.091 2.498 . 0 0 "[ . 1 . 2]" 1
1233 1 112 PRO QB 1 114 ALA H . . 5.020 3.547 2.494 4.521 . 0 0 "[ . 1 . 2]" 1
1234 1 112 PRO QB 1 115 GLU H . . 4.990 2.867 2.404 3.390 . 0 0 "[ . 1 . 2]" 1
1235 1 112 PRO QB 1 115 GLU QB . . 6.750 2.576 1.759 3.950 . 0 0 "[ . 1 . 2]" 1
1236 1 112 PRO HB2 1 113 TRP H . . 3.800 3.516 2.361 3.918 0.118 19 0 "[ . 1 . 2]" 1
1237 1 112 PRO HB3 1 113 TRP H . . 3.800 3.569 2.906 3.919 0.119 18 0 "[ . 1 . 2]" 1
1238 1 112 PRO QD 1 115 GLU QB . . 6.510 3.424 1.890 4.793 . 0 0 "[ . 1 . 2]" 1
1239 1 113 TRP H 1 113 TRP HB2 . . 3.110 2.650 2.445 2.947 . 0 0 "[ . 1 . 2]" 1
1240 1 113 TRP H 1 113 TRP HB3 . . 3.240 2.466 2.299 2.578 . 0 0 "[ . 1 . 2]" 1
1241 1 113 TRP HA 1 113 TRP HB2 . . 2.770 2.432 2.376 2.493 . 0 0 "[ . 1 . 2]" 1
1242 1 113 TRP HA 1 113 TRP HB3 . . 2.990 3.020 3.013 3.024 0.034 11 0 "[ . 1 . 2]" 1
1243 1 113 TRP HA 1 114 ALA H . . 3.610 3.549 3.519 3.573 . 0 0 "[ . 1 . 2]" 1
1244 1 113 TRP HA 1 116 LEU H . . 3.490 3.279 3.023 3.504 0.014 20 0 "[ . 1 . 2]" 1
1245 1 113 TRP HA 1 116 LEU HB2 . . 3.140 2.785 1.791 3.169 0.029 3 0 "[ . 1 . 2]" 1
1246 1 113 TRP HA 1 116 LEU QB . . 2.940 2.392 1.783 2.639 . 0 0 "[ . 1 . 2]" 1
1247 1 113 TRP HA 1 116 LEU HB3 . . 3.140 2.792 2.319 3.240 0.100 2 0 "[ . 1 . 2]" 1
1248 1 113 TRP HA 1 116 LEU QD . . 5.990 3.480 2.328 4.211 . 0 0 "[ . 1 . 2]" 1
1249 1 113 TRP HB2 1 114 ALA H . . 4.010 3.904 3.726 4.014 0.004 2 0 "[ . 1 . 2]" 1
1250 1 113 TRP HB3 1 113 TRP HD1 . . 3.830 2.564 2.535 2.619 . 0 0 "[ . 1 . 2]" 1
1251 1 113 TRP HB3 1 114 ALA H . . 3.080 2.589 2.382 2.750 . 0 0 "[ . 1 . 2]" 1
1252 1 113 TRP HD1 1 114 ALA H . . 4.510 4.408 4.049 4.560 0.050 4 0 "[ . 1 . 2]" 1
1253 1 113 TRP HD1 1 114 ALA HA . . 5.500 4.795 4.388 5.154 . 0 0 "[ . 1 . 2]" 1
1254 1 113 TRP HD1 1 114 ALA MB . . 6.340 4.768 4.372 5.037 . 0 0 "[ . 1 . 2]" 1
1255 1 113 TRP HD1 1 117 ILE MD . . 4.950 3.632 3.302 3.961 . 0 0 "[ . 1 . 2]" 1
1256 1 113 TRP HE1 1 117 ILE MD . . 4.450 2.646 2.392 2.897 . 0 0 "[ . 1 . 2]" 1
1257 1 113 TRP HH2 1 117 ILE HA . . 4.970 4.988 4.518 5.062 0.092 11 0 "[ . 1 . 2]" 1
1258 1 113 TRP HH2 1 117 ILE MD . . 5.040 4.142 3.809 4.535 . 0 0 "[ . 1 . 2]" 1
1259 1 113 TRP HH2 1 117 ILE MG . . 4.950 4.952 4.797 5.019 0.069 4 0 "[ . 1 . 2]" 1
1260 1 113 TRP HZ2 1 117 ILE MD . . 4.420 2.971 2.789 3.212 . 0 0 "[ . 1 . 2]" 1
1261 1 114 ALA H 1 114 ALA MB . . 3.430 2.239 2.224 2.252 . 0 0 "[ . 1 . 2]" 1
1262 1 114 ALA H 1 115 GLU H . . 3.360 2.713 2.554 2.822 . 0 0 "[ . 1 . 2]" 1
1263 1 114 ALA HA 1 117 ILE H . . 4.010 3.716 3.518 3.934 . 0 0 "[ . 1 . 2]" 1
1264 1 114 ALA HA 1 117 ILE HB . . 3.580 3.286 2.988 3.589 0.009 6 0 "[ . 1 . 2]" 1
1265 1 114 ALA HA 1 117 ILE MD . . 3.920 2.714 2.326 3.009 . 0 0 "[ . 1 . 2]" 1
1266 1 114 ALA HA 1 117 ILE MG . . 5.690 4.548 4.324 4.821 . 0 0 "[ . 1 . 2]" 1
1267 1 114 ALA MB 1 115 GLU H . . 3.550 2.553 2.348 2.704 . 0 0 "[ . 1 . 2]" 1
1268 1 114 ALA MB 1 117 ILE MD . . 6.970 3.953 3.607 4.231 . 0 0 "[ . 1 . 2]" 1
1269 1 115 GLU H 1 115 GLU HB2 . . 3.520 2.423 2.172 2.665 . 0 0 "[ . 1 . 2]" 1
1270 1 115 GLU H 1 115 GLU QB . . 3.250 2.284 2.119 2.437 . 0 0 "[ . 1 . 2]" 1
1271 1 115 GLU H 1 115 GLU HB3 . . 3.520 3.118 2.445 3.598 0.078 6 0 "[ . 1 . 2]" 1
1272 1 115 GLU H 1 115 GLU HG2 . . 5.280 3.840 2.193 4.633 . 0 0 "[ . 1 . 2]" 1
1273 1 115 GLU H 1 115 GLU HG3 . . 5.280 3.909 2.401 4.521 . 0 0 "[ . 1 . 2]" 1
1274 1 115 GLU H 1 116 LEU H . . 3.050 2.507 2.360 2.720 . 0 0 "[ . 1 . 2]" 1
1275 1 115 GLU H 1 116 LEU QB . . 5.140 4.220 4.025 4.448 . 0 0 "[ . 1 . 2]" 1
1276 1 115 GLU H 1 117 ILE H . . 4.630 4.220 4.099 4.426 . 0 0 "[ . 1 . 2]" 1
1277 1 115 GLU HA 1 118 ASN H . . 3.670 3.275 2.913 3.689 0.019 4 0 "[ . 1 . 2]" 1
1278 1 115 GLU HA 1 118 ASN HB3 . . 3.760 2.580 2.178 3.088 . 0 0 "[ . 1 . 2]" 1
1279 1 115 GLU HA 1 118 ASN HD21 . . 4.010 3.493 2.808 4.072 0.062 20 0 "[ . 1 . 2]" 1
1280 1 115 GLU HA 1 118 ASN HD22 . . 5.500 5.028 4.496 5.522 0.022 1 0 "[ . 1 . 2]" 1
1281 1 115 GLU HB2 1 116 LEU H . . 4.880 3.297 2.434 4.018 . 0 0 "[ . 1 . 2]" 1
1282 1 115 GLU HB3 1 116 LEU H . . 4.880 3.231 2.577 3.872 . 0 0 "[ . 1 . 2]" 1
1283 1 116 LEU H 1 116 LEU HB2 . . 3.700 2.293 2.078 2.458 . 0 0 "[ . 1 . 2]" 1
1284 1 116 LEU H 1 116 LEU QB . . 3.330 2.171 2.047 2.239 . 0 0 "[ . 1 . 2]" 1
1285 1 116 LEU H 1 116 LEU HB3 . . 3.700 2.802 2.553 3.443 . 0 0 "[ . 1 . 2]" 1
1286 1 116 LEU H 1 116 LEU MD1 . . 5.690 4.111 3.886 4.318 . 0 0 "[ . 1 . 2]" 1
1287 1 116 LEU H 1 116 LEU QD . . 5.200 3.518 2.475 3.745 . 0 0 "[ . 1 . 2]" 1
1288 1 116 LEU H 1 116 LEU MD2 . . 5.690 3.917 2.500 4.313 . 0 0 "[ . 1 . 2]" 1
1289 1 116 LEU H 1 116 LEU HG . . 4.570 4.413 3.131 4.546 . 0 0 "[ . 1 . 2]" 1
1290 1 116 LEU H 1 117 ILE H . . 3.670 2.740 2.656 2.850 . 0 0 "[ . 1 . 2]" 1
1291 1 116 LEU HA 1 116 LEU MD1 . . 4.480 2.423 1.946 3.776 . 0 0 "[ . 1 . 2]" 1
1292 1 116 LEU HA 1 116 LEU QD . . 3.700 1.946 1.798 2.805 . 0 0 "[ . 1 . 2]" 1
1293 1 116 LEU HA 1 116 LEU MD2 . . 4.480 2.834 1.832 3.875 . 0 0 "[ . 1 . 2]" 1
1294 1 116 LEU HA 1 119 LEU H . . 3.830 3.677 3.390 3.865 0.035 3 0 "[ . 1 . 2]" 1
1295 1 116 LEU HA 1 119 LEU QB . . 4.120 3.102 2.746 3.501 . 0 0 "[ . 1 . 2]" 1
1296 1 116 LEU HA 1 119 LEU QD . . 5.250 2.939 2.296 3.581 . 0 0 "[ . 1 . 2]" 1
1297 1 116 LEU HA 1 119 LEU HG . . 4.170 3.715 3.132 4.176 0.006 4 0 "[ . 1 . 2]" 1
1298 1 116 LEU QB 1 117 ILE H . . 3.690 2.454 2.369 2.631 . 0 0 "[ . 1 . 2]" 1
1299 1 116 LEU HB2 1 117 ILE H . . 4.070 3.550 2.866 3.803 . 0 0 "[ . 1 . 2]" 1
1300 1 116 LEU HB3 1 117 ILE H . . 4.070 2.534 2.405 3.051 . 0 0 "[ . 1 . 2]" 1
1301 1 116 LEU QD 1 119 LEU H . . 6.670 4.529 4.063 4.846 . 0 0 "[ . 1 . 2]" 1
1302 1 116 LEU QD 1 119 LEU QD . . 9.520 3.073 2.210 4.629 . 0 0 "[ . 1 . 2]" 1
1303 1 117 ILE H 1 117 ILE HB . . 3.240 2.623 2.537 2.681 . 0 0 "[ . 1 . 2]" 1
1304 1 117 ILE H 1 117 ILE MD . . 4.570 3.555 3.496 3.624 . 0 0 "[ . 1 . 2]" 1
1305 1 117 ILE H 1 117 ILE HG12 . . 3.980 3.280 3.223 3.364 . 0 0 "[ . 1 . 2]" 1
1306 1 117 ILE H 1 117 ILE QG . . 3.580 2.006 1.936 2.089 . 0 0 "[ . 1 . 2]" 1
1307 1 117 ILE H 1 117 ILE HG13 . . 3.980 2.024 1.951 2.110 . 0 0 "[ . 1 . 2]" 1
1308 1 117 ILE H 1 117 ILE MG . . 4.700 3.781 3.769 3.800 . 0 0 "[ . 1 . 2]" 1
1309 1 117 ILE H 1 118 ASN H . . 3.330 2.669 2.597 2.758 . 0 0 "[ . 1 . 2]" 1
1310 1 117 ILE HA 1 120 MET H . . 3.640 3.637 3.405 3.706 0.066 14 0 "[ . 1 . 2]" 1
1311 1 117 ILE HA 1 120 MET QB . . 4.270 2.719 2.494 3.121 . 0 0 "[ . 1 . 2]" 1
1312 1 117 ILE HB 1 117 ILE MD . . 3.740 2.409 2.382 2.432 . 0 0 "[ . 1 . 2]" 1
1313 1 117 ILE HB 1 118 ASN H . . 2.900 2.489 2.375 2.609 . 0 0 "[ . 1 . 2]" 1
1314 1 117 ILE MD 1 118 ASN H . . 4.880 4.433 4.345 4.556 . 0 0 "[ . 1 . 2]" 1
1315 1 117 ILE QG 1 118 ASN H . . 5.100 3.866 3.809 3.944 . 0 0 "[ . 1 . 2]" 1
1316 1 117 ILE HG12 1 118 ASN H . . 5.500 4.876 4.832 4.926 . 0 0 "[ . 1 . 2]" 1
1317 1 117 ILE HG13 1 118 ASN H . . 5.500 4.055 3.985 4.162 . 0 0 "[ . 1 . 2]" 1
1318 1 117 ILE MG 1 118 ASN H . . 4.260 3.448 3.271 3.589 . 0 0 "[ . 1 . 2]" 1
1319 1 118 ASN H 1 118 ASN HB2 . . 2.870 2.336 2.212 2.452 . 0 0 "[ . 1 . 2]" 1
1320 1 118 ASN H 1 118 ASN HB3 . . 3.360 2.679 2.519 2.841 . 0 0 "[ . 1 . 2]" 1
1321 1 118 ASN H 1 119 LEU H . . 2.930 2.868 2.648 2.950 0.020 16 0 "[ . 1 . 2]" 1
1322 1 118 ASN HA 1 118 ASN HB2 . . 2.710 2.528 2.456 2.629 . 0 0 "[ . 1 . 2]" 1
1323 1 118 ASN HA 1 118 ASN HB3 . . 3.050 3.019 2.991 3.026 . 0 0 "[ . 1 . 2]" 1
1324 1 118 ASN HA 1 118 ASN HD21 . . 4.630 4.293 3.943 4.496 . 0 0 "[ . 1 . 2]" 1
1325 1 118 ASN HA 1 121 ARG H . . 4.940 3.881 3.500 4.164 . 0 0 "[ . 1 . 2]" 1
1326 1 118 ASN HB2 1 119 LEU H . . 3.360 3.523 3.445 3.605 0.245 15 0 "[ . 1 . 2]" 1
1327 1 118 ASN HB3 1 118 ASN HD21 . . 2.650 2.352 2.158 2.779 0.129 7 0 "[ . 1 . 2]" 1
1328 1 118 ASN HB3 1 118 ASN HD22 . . 3.640 3.529 3.451 3.707 0.067 7 0 "[ . 1 . 2]" 1
1329 1 118 ASN HB3 1 119 LEU H . . 4.110 2.180 2.076 2.501 . 0 0 "[ . 1 . 2]" 1
1330 1 119 LEU H 1 119 LEU HB2 . . 3.520 2.522 2.475 2.546 . 0 0 "[ . 1 . 2]" 1
1331 1 119 LEU H 1 119 LEU QB . . 3.230 2.474 2.433 2.495 . 0 0 "[ . 1 . 2]" 1
1332 1 119 LEU H 1 119 LEU HB3 . . 3.520 3.582 3.575 3.589 0.069 15 0 "[ . 1 . 2]" 1
1333 1 119 LEU H 1 119 LEU MD1 . . 4.390 3.597 3.570 3.633 . 0 0 "[ . 1 . 2]" 1
1334 1 119 LEU H 1 119 LEU MD2 . . 4.390 3.184 3.113 3.332 . 0 0 "[ . 1 . 2]" 1
1335 1 119 LEU H 1 119 LEU HG . . 2.930 2.179 2.119 2.253 . 0 0 "[ . 1 . 2]" 1
1336 1 119 LEU H 1 120 MET H . . 3.140 2.772 2.617 2.865 . 0 0 "[ . 1 . 2]" 1
1337 1 119 LEU HA 1 119 LEU HB2 . . 3.020 3.018 3.014 3.023 0.003 19 0 "[ . 1 . 2]" 1
1338 1 119 LEU HA 1 119 LEU QB . . 2.700 2.360 2.344 2.377 . 0 0 "[ . 1 . 2]" 1
1339 1 119 LEU HA 1 119 LEU HB3 . . 3.020 2.464 2.443 2.488 . 0 0 "[ . 1 . 2]" 1
1340 1 119 LEU HA 1 119 LEU HG . . 3.550 3.133 3.073 3.196 . 0 0 "[ . 1 . 2]" 1
1341 1 119 LEU HA 1 122 GLY H . . 3.390 3.445 3.338 3.513 0.123 7 0 "[ . 1 . 2]" 1
1342 1 119 LEU HA 1 123 LEU H . . 4.350 4.301 4.143 4.419 0.069 8 0 "[ . 1 . 2]" 1
1343 1 119 LEU HA 1 123 LEU QD . . 6.080 4.179 3.911 4.480 . 0 0 "[ . 1 . 2]" 1
1344 1 119 LEU QB 1 120 MET H . . 4.160 2.461 2.324 2.563 . 0 0 "[ . 1 . 2]" 1
1345 1 119 LEU HB2 1 120 MET H . . 4.450 2.508 2.365 2.615 . 0 0 "[ . 1 . 2]" 1
1346 1 119 LEU HB3 1 120 MET H . . 4.450 3.569 3.414 3.690 . 0 0 "[ . 1 . 2]" 1
1347 1 119 LEU QD 1 120 MET H . . 5.060 4.026 3.957 4.075 . 0 0 "[ . 1 . 2]" 1
1348 1 119 LEU MD1 1 120 MET H . . 5.780 4.433 4.318 4.530 . 0 0 "[ . 1 . 2]" 1
1349 1 119 LEU MD2 1 120 MET H . . 5.780 4.619 4.595 4.642 . 0 0 "[ . 1 . 2]" 1
1350 1 119 LEU HG 1 120 MET H . . 4.260 4.272 4.229 4.300 0.040 2 0 "[ . 1 . 2]" 1
1351 1 120 MET H 1 120 MET QB . . 3.710 2.221 2.127 2.259 . 0 0 "[ . 1 . 2]" 1
1352 1 120 MET H 1 121 ARG H . . 3.210 2.751 2.539 2.911 . 0 0 "[ . 1 . 2]" 1
1353 1 120 MET HA 1 120 MET ME . . 3.920 3.911 2.123 4.079 0.159 3 0 "[ . 1 . 2]" 1
1354 1 120 MET HA 1 123 LEU H . . 4.010 3.469 3.211 3.672 . 0 0 "[ . 1 . 2]" 1
1355 1 120 MET HA 1 123 LEU MD1 . . 5.630 2.832 2.214 3.358 . 0 0 "[ . 1 . 2]" 1
1356 1 120 MET HA 1 123 LEU QD . . 5.250 2.814 2.208 3.324 . 0 0 "[ . 1 . 2]" 1
1357 1 120 MET HA 1 123 LEU MD2 . . 5.630 4.937 4.404 5.316 . 0 0 "[ . 1 . 2]" 1
1358 1 120 MET HA 1 123 LEU HG . . 4.040 3.639 2.983 4.086 0.046 13 0 "[ . 1 . 2]" 1
1359 1 120 MET HA 1 124 VAL H . . 3.920 3.929 3.610 4.066 0.146 4 0 "[ . 1 . 2]" 1
1360 1 120 MET HA 1 124 VAL QG . . 6.290 3.604 3.122 4.286 . 0 0 "[ . 1 . 2]" 1
1361 1 120 MET QB 1 121 ARG H . . 3.810 2.423 2.312 2.616 . 0 0 "[ . 1 . 2]" 1
1362 1 120 MET HB2 1 121 ARG H . . 4.230 3.707 3.422 3.859 . 0 0 "[ . 1 . 2]" 1
1363 1 120 MET HB3 1 121 ARG H . . 4.230 2.457 2.335 2.661 . 0 0 "[ . 1 . 2]" 1
1364 1 120 MET ME 1 124 VAL MG1 . . 5.910 2.178 1.784 3.396 . 0 0 "[ . 1 . 2]" 1
1365 1 120 MET ME 1 124 VAL QG . . 5.470 2.095 1.772 2.865 . 0 0 "[ . 1 . 2]" 1
1366 1 120 MET ME 1 124 VAL MG2 . . 5.910 3.279 2.266 4.135 . 0 0 "[ . 1 . 2]" 1
1367 1 120 MET QG 1 121 ARG H . . 5.850 3.799 3.373 4.349 . 0 0 "[ . 1 . 2]" 1
1368 1 121 ARG H 1 121 ARG HB2 . . 3.170 2.394 2.164 2.625 . 0 0 "[ . 1 . 2]" 1
1369 1 121 ARG H 1 121 ARG HB3 . . 3.170 2.803 2.349 3.521 0.351 9 0 "[ . 1 . 2]" 1
1370 1 121 ARG H 1 121 ARG HG2 . . 5.410 4.235 2.523 4.633 . 0 0 "[ . 1 . 2]" 1
1371 1 121 ARG H 1 121 ARG HG3 . . 5.410 4.049 2.200 4.562 . 0 0 "[ . 1 . 2]" 1
1372 1 121 ARG H 1 122 GLY H . . 3.240 2.613 2.523 2.806 . 0 0 "[ . 1 . 2]" 1
1373 1 121 ARG H 1 123 LEU H . . 4.040 4.020 3.939 4.082 0.042 15 0 "[ . 1 . 2]" 1
1374 1 121 ARG H 1 124 VAL QG . . 7.060 3.852 3.677 4.162 . 0 0 "[ . 1 . 2]" 1
1375 1 121 ARG HA 1 122 GLY H . . 3.490 3.517 3.496 3.553 0.063 19 0 "[ . 1 . 2]" 1
1376 1 121 ARG HA 1 124 VAL H . . 4.380 3.523 3.232 4.097 . 0 0 "[ . 1 . 2]" 1
1377 1 121 ARG HA 1 124 VAL QG . . 5.610 2.037 1.712 3.093 . 0 0 "[ . 1 . 2]" 1
1378 1 121 ARG HA 1 125 GLU H . . 3.390 3.413 3.202 3.626 0.236 9 0 "[ . 1 . 2]" 1
1379 1 121 ARG QB 1 122 GLY H . . 3.490 2.653 2.452 2.771 . 0 0 "[ . 1 . 2]" 1
1380 1 121 ARG QB 1 124 VAL QG . . 6.670 3.756 3.490 4.617 . 0 0 "[ . 1 . 2]" 1
1381 1 121 ARG HB2 1 122 GLY H . . 3.830 3.608 2.547 3.931 0.101 15 0 "[ . 1 . 2]" 1
1382 1 121 ARG HB3 1 122 GLY H . . 3.830 2.883 2.481 3.754 . 0 0 "[ . 1 . 2]" 1
1383 1 122 GLY H 1 123 LEU H . . 3.080 2.607 2.540 2.710 . 0 0 "[ . 1 . 2]" 1
1384 1 123 LEU H 1 123 LEU HB2 . . 3.580 2.430 2.375 2.499 . 0 0 "[ . 1 . 2]" 1
1385 1 123 LEU H 1 123 LEU QB . . 3.240 2.394 2.343 2.456 . 0 0 "[ . 1 . 2]" 1
1386 1 123 LEU H 1 123 LEU HB3 . . 3.580 3.604 3.587 3.624 0.044 6 0 "[ . 1 . 2]" 1
1387 1 123 LEU H 1 123 LEU MD1 . . 4.700 3.729 3.641 3.840 . 0 0 "[ . 1 . 2]" 1
1388 1 123 LEU H 1 123 LEU QD . . 4.000 3.196 3.024 3.289 . 0 0 "[ . 1 . 2]" 1
1389 1 123 LEU H 1 123 LEU MD2 . . 4.700 3.480 3.190 3.610 . 0 0 "[ . 1 . 2]" 1
1390 1 123 LEU H 1 123 LEU HG . . 3.300 2.521 2.338 2.683 . 0 0 "[ . 1 . 2]" 1
1391 1 123 LEU H 1 124 VAL H . . 2.900 2.541 2.338 2.710 . 0 0 "[ . 1 . 2]" 1
1392 1 123 LEU H 1 124 VAL MG1 . . 6.160 4.165 3.812 4.441 . 0 0 "[ . 1 . 2]" 1
1393 1 123 LEU H 1 124 VAL QG . . 5.190 3.559 3.402 3.768 . 0 0 "[ . 1 . 2]" 1
1394 1 123 LEU H 1 124 VAL MG2 . . 6.160 4.076 3.675 5.833 . 0 0 "[ . 1 . 2]" 1
1395 1 123 LEU H 1 125 GLU H . . 4.140 3.817 3.464 4.079 . 0 0 "[ . 1 . 2]" 1
1396 1 123 LEU HA 1 123 LEU MD1 . . 4.670 3.844 3.822 3.862 . 0 0 "[ . 1 . 2]" 1
1397 1 123 LEU HA 1 123 LEU QD . . 3.880 1.976 1.922 2.017 . 0 0 "[ . 1 . 2]" 1
1398 1 123 LEU HA 1 123 LEU MD2 . . 4.670 1.982 1.927 2.024 . 0 0 "[ . 1 . 2]" 1
1399 1 123 LEU QB 1 124 VAL H . . 3.690 2.415 2.230 2.691 . 0 0 "[ . 1 . 2]" 1
1400 1 123 LEU QB 1 124 VAL QG . . 6.950 3.001 2.610 3.914 . 0 0 "[ . 1 . 2]" 1
1401 1 123 LEU HB2 1 124 VAL H . . 3.920 2.465 2.268 2.758 . 0 0 "[ . 1 . 2]" 1
1402 1 123 LEU HB3 1 124 VAL H . . 3.920 3.463 3.298 3.748 . 0 0 "[ . 1 . 2]" 1
1403 1 123 LEU QD 1 124 VAL H . . 5.100 4.015 3.896 4.157 . 0 0 "[ . 1 . 2]" 1
1404 1 123 LEU MD1 1 124 VAL H . . 5.570 4.407 4.215 4.692 . 0 0 "[ . 1 . 2]" 1
1405 1 123 LEU MD2 1 124 VAL H . . 5.570 4.628 4.563 4.683 . 0 0 "[ . 1 . 2]" 1
1406 1 124 VAL H 1 124 VAL HB . . 3.730 3.492 2.461 3.698 . 0 0 "[ . 1 . 2]" 1
1407 1 124 VAL H 1 124 VAL MG1 . . 4.050 2.272 2.120 2.391 . 0 0 "[ . 1 . 2]" 1
1408 1 124 VAL H 1 124 VAL QG . . 3.500 1.955 1.892 2.244 . 0 0 "[ . 1 . 2]" 1
1409 1 124 VAL H 1 124 VAL MG2 . . 4.050 2.316 1.999 3.787 . 0 0 "[ . 1 . 2]" 1
1410 1 124 VAL H 1 125 GLU H . . 2.680 2.547 2.309 2.697 0.017 4 0 "[ . 1 . 2]" 1
1411 1 124 VAL HA 1 124 VAL HB . . 2.800 2.458 2.419 2.528 . 0 0 "[ . 1 . 2]" 1
1412 1 124 VAL HA 1 125 GLU H . . 3.520 3.493 3.391 3.556 0.036 1 0 "[ . 1 . 2]" 1
1413 1 124 VAL HB 1 125 GLU H . . 3.980 3.881 3.692 4.061 0.081 9 0 "[ . 1 . 2]" 1
1414 1 124 VAL QG 1 125 GLU H . . 4.390 2.259 2.008 2.544 . 0 0 "[ . 1 . 2]" 1
1415 1 124 VAL MG1 1 125 GLU H . . 5.290 3.731 2.242 4.051 . 0 0 "[ . 1 . 2]" 1
1416 1 124 VAL MG2 1 125 GLU H . . 5.290 2.509 2.014 4.013 . 0 0 "[ . 1 . 2]" 1
1417 1 125 GLU H 1 125 GLU HB2 . . 2.930 2.860 2.468 3.088 0.158 20 0 "[ . 1 . 2]" 1
1418 1 125 GLU H 1 125 GLU HB3 . . 2.930 2.776 2.508 3.272 0.342 7 0 "[ . 1 . 2]" 1
1419 1 125 GLU H 1 125 GLU HG2 . . 5.130 4.605 4.361 4.918 . 0 0 "[ . 1 . 2]" 1
1420 1 125 GLU H 1 125 GLU QG . . 4.870 4.092 3.982 4.223 . 0 0 "[ . 1 . 2]" 1
1421 1 125 GLU H 1 125 GLU HG3 . . 5.130 4.597 4.473 4.740 . 0 0 "[ . 1 . 2]" 1
1422 1 125 GLU H 1 126 PRO QD . . 4.580 3.424 2.343 4.063 . 0 0 "[ . 1 . 2]" 1
1423 1 125 GLU HA 1 125 GLU HG2 . . 4.140 3.236 2.344 3.778 . 0 0 "[ . 1 . 2]" 1
1424 1 125 GLU HA 1 125 GLU QG . . 3.760 2.556 2.286 2.953 . 0 0 "[ . 1 . 2]" 1
1425 1 125 GLU HA 1 125 GLU HG3 . . 4.140 2.713 2.388 3.177 . 0 0 "[ . 1 . 2]" 1
1426 1 125 GLU QB 1 126 PRO QD . . 5.390 3.542 1.684 3.825 . 0 0 "[ . 1 . 2]" 1
1427 1 126 PRO HA 1 127 GLN H . . 2.710 2.256 2.130 2.581 . 0 0 "[ . 1 . 2]" 1
1428 1 126 PRO QB 1 127 GLN H . . 3.640 3.160 2.027 3.724 0.084 7 0 "[ . 1 . 2]" 1
1429 1 126 PRO QB 1 128 GLN H . . 4.210 2.978 1.950 4.295 0.085 1 0 "[ . 1 . 2]" 1
1430 1 126 PRO HB2 1 127 GLN H . . 4.170 3.471 2.051 4.229 0.059 15 0 "[ . 1 . 2]" 1
1431 1 126 PRO HB3 1 127 GLN H . . 4.170 3.794 3.172 4.248 0.078 19 0 "[ . 1 . 2]" 1
1432 1 126 PRO QD 1 127 GLN H . . 5.550 4.787 4.561 4.975 . 0 0 "[ . 1 . 2]" 1
1433 1 126 PRO QG 1 127 GLN H . . 4.680 4.539 3.742 4.840 0.160 2 0 "[ . 1 . 2]" 1
1434 1 127 GLN H 1 127 GLN HB2 . . 3.330 2.585 2.285 3.525 0.195 18 0 "[ . 1 . 2]" 1
1435 1 127 GLN H 1 127 GLN HB3 . . 3.330 3.356 2.555 3.572 0.242 10 0 "[ . 1 . 2]" 1
1436 1 127 GLN H 1 127 GLN HG2 . . 4.570 3.658 2.380 4.734 0.164 1 0 "[ . 1 . 2]" 1
1437 1 127 GLN H 1 127 GLN QG . . 4.300 2.696 1.748 4.174 . 0 0 "[ . 1 . 2]" 1
1438 1 127 GLN H 1 127 GLN HG3 . . 4.570 2.962 1.754 4.640 0.070 1 0 "[ . 1 . 2]" 1
1439 1 127 GLN H 1 128 GLN H . . 3.610 2.614 1.883 3.748 0.138 11 0 "[ . 1 . 2]" 1
1440 1 127 GLN HA 1 128 GLN H . . 3.110 3.097 2.150 3.462 0.352 7 0 "[ . 1 . 2]" 1
1441 1 127 GLN QB 1 128 GLN H . . 3.880 3.243 2.521 3.884 0.004 2 0 "[ . 1 . 2]" 1
1442 1 127 GLN HB2 1 128 GLN H . . 4.070 3.606 2.572 4.411 0.341 2 0 "[ . 1 . 2]" 1
1443 1 127 GLN HB3 1 128 GLN H . . 4.070 3.931 2.647 4.311 0.241 2 0 "[ . 1 . 2]" 1
1444 1 127 GLN HG2 1 128 GLN H . . 5.500 4.720 3.512 5.201 . 0 0 "[ . 1 . 2]" 1
1445 1 127 GLN HG3 1 128 GLN H . . 5.500 4.592 3.346 5.520 0.020 17 0 "[ . 1 . 2]" 1
1446 1 128 GLN H 1 128 GLN HA . . 2.830 2.562 2.215 2.920 0.090 20 0 "[ . 1 . 2]" 1
1447 1 128 GLN H 1 128 GLN HB2 . . 3.950 3.252 2.336 3.993 0.043 19 0 "[ . 1 . 2]" 1
1448 1 128 GLN H 1 128 GLN QB . . 3.780 2.960 2.228 3.329 . 0 0 "[ . 1 . 2]" 1
1449 1 128 GLN H 1 128 GLN HB3 . . 3.950 3.594 2.603 4.072 0.122 17 0 "[ . 1 . 2]" 1
1450 1 128 GLN H 1 128 GLN HG2 . . 4.510 3.566 1.968 4.744 0.234 16 0 "[ . 1 . 2]" 1
1451 1 128 GLN H 1 128 GLN QG . . 4.330 3.030 1.945 4.125 . 0 0 "[ . 1 . 2]" 1
1452 1 128 GLN H 1 128 GLN HG3 . . 4.510 3.515 2.441 4.703 0.193 4 0 "[ . 1 . 2]" 1
1453 1 128 GLN H 1 129 GLU H . . 3.800 3.359 2.521 3.867 0.067 10 0 "[ . 1 . 2]" 1
1454 1 128 GLN HA 1 129 GLU H . . 2.400 2.350 2.101 2.686 0.286 17 0 "[ . 1 . 2]" 1
1455 1 129 GLU H 1 130 ARG H . . 4.510 3.937 2.322 4.569 0.059 9 0 "[ . 1 . 2]" 1
1456 1 129 GLU HA 1 130 ARG H . . 2.900 2.399 2.091 3.049 0.149 14 0 "[ . 1 . 2]" 1
1457 1 130 ARG H 1 130 ARG HB2 . . 4.110 2.801 2.091 3.918 . 0 0 "[ . 1 . 2]" 1
1458 1 130 ARG H 1 130 ARG QB . . 3.600 2.562 2.066 3.306 . 0 0 "[ . 1 . 2]" 1
1459 1 130 ARG H 1 130 ARG HB3 . . 4.110 3.277 2.472 4.110 0.000 17 0 "[ . 1 . 2]" 1
1460 1 130 ARG HA 1 131 ALA H . . 3.270 2.588 2.125 3.497 0.227 3 0 "[ . 1 . 2]" 1
1461 1 131 ALA HA 1 132 SER H . . 3.080 2.319 2.121 3.168 0.088 2 0 "[ . 1 . 2]" 1
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