NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
574029 |
2ml5   |
19806 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ml5
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 2051
_Distance_constraint_stats_list.Viol_count 4484
_Distance_constraint_stats_list.Viol_total 8417.279
_Distance_constraint_stats_list.Viol_max 0.999
_Distance_constraint_stats_list.Viol_rms 0.0483
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0103
_Distance_constraint_stats_list.Viol_average_violations_only 0.0939
_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 SER 0.225 0.091 15 0 "[ . 1 . 2]"
1 4 GLU 0.225 0.091 15 0 "[ . 1 . 2]"
1 5 LEU 3.673 0.545 18 3 "[ * . 1 -. + 2]"
1 6 THR 3.130 0.130 8 0 "[ . 1 . 2]"
1 7 THR 2.445 0.130 8 0 "[ . 1 . 2]"
1 8 GLN 0.201 0.070 19 0 "[ . 1 . 2]"
1 9 ASP 4.908 0.587 20 1 "[ . 1 . +]"
1 10 GLY 3.084 0.125 3 0 "[ . 1 . 2]"
1 11 GLU 9.761 0.158 2 0 "[ . 1 . 2]"
1 12 ASP 3.138 0.112 6 0 "[ . 1 . 2]"
1 13 PHE 2.035 0.099 9 0 "[ . 1 . 2]"
1 14 LYS 7.651 0.587 4 4 "[ +.- 1 ** 2]"
1 15 SER 3.648 0.206 10 0 "[ . 1 . 2]"
1 16 PHE 2.437 0.099 6 0 "[ . 1 . 2]"
1 17 LEU 2.982 0.099 2 0 "[ . 1 . 2]"
1 18 ASP 3.501 0.703 13 1 "[ . 1 + . 2]"
1 19 LYS 3.389 0.213 13 0 "[ . 1 . 2]"
1 20 PHE 4.020 0.703 13 1 "[ . 1 + . 2]"
1 21 THR 4.068 0.108 17 0 "[ . 1 . 2]"
1 22 SER 0.350 0.077 11 0 "[ . 1 . 2]"
1 23 SER 2.940 0.672 20 1 "[ . 1 . +]"
1 24 ALA 2.139 0.196 12 0 "[ . 1 . 2]"
1 25 ALA 0.302 0.084 9 0 "[ . 1 . 2]"
1 26 PHE 5.657 0.672 20 1 "[ . 1 . +]"
1 27 GLN 2.003 0.096 10 0 "[ . 1 . 2]"
1 28 TYR 4.811 0.118 8 0 "[ . 1 . 2]"
1 29 THR 1.475 0.118 8 0 "[ . 1 . 2]"
1 30 ARG 2.704 0.088 12 0 "[ . 1 . 2]"
1 31 VAL 2.604 0.089 12 0 "[ . 1 . 2]"
1 32 LYS 5.487 0.236 7 0 "[ . 1 . 2]"
1 33 PHE 2.976 0.785 15 1 "[ . 1 + 2]"
1 34 PRO 0.138 0.084 18 0 "[ . 1 . 2]"
1 35 LEU 7.935 0.981 15 5 "[ * . * 1 -*+ 2]"
1 36 LYS 1.970 0.246 10 0 "[ . 1 . 2]"
1 37 THR 0.966 0.246 10 0 "[ . 1 . 2]"
1 38 PRO 3.865 0.406 8 0 "[ . 1 . 2]"
1 39 ILE 3.921 0.117 20 0 "[ . 1 . 2]"
1 40 THR 4.574 0.436 8 0 "[ . 1 . 2]"
1 41 LEU 3.931 0.251 18 0 "[ . 1 . 2]"
1 42 LEU 7.804 0.370 12 0 "[ . 1 . 2]"
1 43 ALA 3.624 0.136 18 0 "[ . 1 . 2]"
1 44 ASP 1.073 0.087 9 0 "[ . 1 . 2]"
1 45 ASP 3.514 0.101 13 0 "[ . 1 . 2]"
1 46 GLY 2.847 0.163 18 0 "[ . 1 . 2]"
1 47 GLU 9.835 0.370 12 0 "[ . 1 . 2]"
1 48 THR 3.962 0.108 12 0 "[ . 1 . 2]"
1 49 GLU 7.293 0.436 8 0 "[ . 1 . 2]"
1 50 LYS 5.874 0.109 18 0 "[ . 1 . 2]"
1 51 THR 3.848 0.323 6 0 "[ . 1 . 2]"
1 52 PHE 3.858 0.109 18 0 "[ . 1 . 2]"
1 53 PRO 3.946 0.787 5 2 "[ +- 1 . 2]"
1 54 PHE 10.223 0.981 15 5 "[ * . * 1 -*+ 2]"
1 55 THR 4.638 0.787 5 2 "[ +- 1 . 2]"
1 56 LYS 4.671 0.183 11 0 "[ . 1 . 2]"
1 57 GLU 1.147 0.183 11 0 "[ . 1 . 2]"
1 58 LYS 1.810 0.147 17 0 "[ . 1 . 2]"
1 59 TRP 2.452 0.090 19 0 "[ . 1 . 2]"
1 60 PRO 4.179 0.507 9 1 "[ . +1 . 2]"
1 61 LEU 5.955 0.335 18 0 "[ . 1 . 2]"
1 62 LEU 4.651 0.335 18 0 "[ . 1 . 2]"
1 63 ASP 0.922 0.093 10 0 "[ . 1 . 2]"
1 64 SER 1.347 0.104 7 0 "[ . 1 . 2]"
1 65 GLU 3.416 0.109 5 0 "[ . 1 . 2]"
1 66 THR 2.972 0.109 8 0 "[ . 1 . 2]"
1 67 MET 3.406 0.116 18 0 "[ . 1 . 2]"
1 68 LYS 8.697 0.863 20 5 "[ .-* 1 . ** +]"
1 69 GLU 3.086 0.273 14 0 "[ . 1 . 2]"
1 70 GLU 11.497 0.717 16 7 "[ * . * *1 * .+ *-]"
1 71 ARG 10.601 0.703 19 6 "[ * . * *1 * . +-]"
1 72 ILE 10.032 0.717 16 2 "[ . 1 .+ -]"
1 73 THR 2.619 0.138 7 0 "[ . 1 . 2]"
1 74 GLN 24.915 0.481 16 0 "[ . 1 . 2]"
1 75 GLU 12.935 0.481 16 0 "[ . 1 . 2]"
1 76 GLU 9.079 0.900 3 6 "[ -+ . *1 * *. * 2]"
1 77 GLY 3.582 0.763 3 2 "[ +-. 1 . 2]"
1 78 GLY 2.187 0.109 13 0 "[ . 1 . 2]"
1 79 ILE 7.530 0.113 14 0 "[ . 1 . 2]"
1 80 TYR 4.632 0.342 20 0 "[ . 1 . 2]"
1 81 VAL 1.710 0.345 13 0 "[ . 1 . 2]"
1 82 SER 0.992 0.074 13 0 "[ . 1 . 2]"
1 83 LYS 3.880 0.731 2 1 "[ + . 1 . 2]"
1 84 PHE 4.984 0.499 19 0 "[ . 1 . 2]"
1 85 THR 3.016 0.103 5 0 "[ . 1 . 2]"
1 86 LEU 4.990 0.499 19 0 "[ . 1 . 2]"
1 87 ASN 0.368 0.083 15 0 "[ . 1 . 2]"
1 88 GLU 6.218 0.314 19 0 "[ . 1 . 2]"
1 89 PRO 5.665 0.314 19 0 "[ . 1 . 2]"
1 90 LYS 3.528 0.111 19 0 "[ . 1 . 2]"
1 91 HIS 4.386 0.141 11 0 "[ . 1 . 2]"
1 92 LYS 1.126 0.088 12 0 "[ . 1 . 2]"
1 93 ILE 2.732 0.118 2 0 "[ . 1 . 2]"
1 94 PHE 2.994 0.116 18 0 "[ . 1 . 2]"
1 95 GLU 3.198 0.313 5 0 "[ . 1 . 2]"
1 96 ALA 1.712 0.134 9 0 "[ . 1 . 2]"
1 97 GLY 1.603 0.096 14 0 "[ . 1 . 2]"
1 98 TYR 9.956 0.936 15 3 "[ *-. 1 + 2]"
1 99 GLU 5.419 0.113 14 0 "[ . 1 . 2]"
1 100 GLU 0.659 0.116 17 0 "[ . 1 . 2]"
1 101 SER 9.761 0.936 15 10 "[** *. **1* + * *-]"
1 102 GLU 28.262 0.999 9 10 "[** *. *+** . * *-]"
1 103 VAL 7.614 0.999 9 9 "[** *. *+1* . * *-]"
1 104 ASP 2.184 0.085 20 0 "[ . 1 . 2]"
1 105 LEU 2.936 0.114 16 0 "[ . 1 . 2]"
1 106 ARG 2.087 0.100 12 0 "[ . 1 . 2]"
1 107 VAL 3.260 0.122 18 0 "[ . 1 . 2]"
1 108 GLU 1.019 0.683 11 1 "[ . 1+ . 2]"
1 109 PHE 1.997 0.122 18 0 "[ . 1 . 2]"
1 110 GLU 2.571 0.141 11 0 "[ . 1 . 2]"
1 111 LEU 4.729 0.102 2 0 "[ . 1 . 2]"
1 112 GLN 9.393 0.766 2 1 "[ + . 1 . 2]"
1 113 ALA 3.562 0.766 2 1 "[ + . 1 . 2]"
1 114 ASP 2.517 0.381 19 0 "[ . 1 . 2]"
1 115 GLY 1.672 0.266 2 0 "[ . 1 . 2]"
1 116 LYS 4.779 0.135 14 0 "[ . 1 . 2]"
1 117 TRP 3.424 0.114 6 0 "[ . 1 . 2]"
1 118 TYR 5.039 0.135 14 0 "[ . 1 . 2]"
1 119 VAL 1.400 0.085 3 0 "[ . 1 . 2]"
1 120 VAL 2.345 0.683 11 1 "[ . 1+ . 2]"
1 121 ASP 3.321 0.097 19 0 "[ . 1 . 2]"
1 122 CYS 1.925 0.295 5 0 "[ . 1 . 2]"
1 123 TYR 3.000 0.295 5 0 "[ . 1 . 2]"
1 124 THR 4.817 0.606 13 3 "[- . 1 *+ . 2]"
1 125 GLY 3.142 0.606 13 3 "[- . 1 *+ . 2]"
1 126 TRP 7.293 0.097 19 0 "[ . 1 . 2]"
1 127 TYR 6.385 0.139 17 0 "[ . 1 . 2]"
1 128 GLY 1.360 0.266 6 0 "[ . 1 . 2]"
1 129 TYR 4.857 0.266 6 0 "[ . 1 . 2]"
1 130 ASP 3.965 0.640 3 2 "[ +-. 1 . 2]"
1 131 LEU 7.643 0.641 3 3 "[ +-. * 1 . 2]"
1 132 PRO 3.739 0.641 3 2 "[ + . - 1 . 2]"
1 133 ILE 3.921 0.102 4 0 "[ . 1 . 2]"
1 134 GLY 1.337 0.276 11 0 "[ . 1 . 2]"
1 135 GLU 16.168 0.652 7 4 "[ . +* 1 .- * 2]"
1 136 LEU 2.518 0.276 11 0 "[ . 1 . 2]"
1 137 LYS 7.877 0.379 9 0 "[ . 1 . 2]"
1 138 GLN 5.632 0.472 17 0 "[ . 1 . 2]"
1 139 THR 2.677 0.198 19 0 "[ . 1 . 2]"
1 140 ILE 8.521 0.139 17 0 "[ . 1 . 2]"
1 141 GLN 8.655 0.869 19 2 "[ . - 1 . +2]"
1 142 ASN 9.647 0.985 20 4 "[* . * 1 . -+]"
1 143 VAL 6.203 0.453 6 0 "[ . 1 . 2]"
1 144 LYS 10.564 0.869 19 2 "[ . - 1 . +2]"
1 145 GLU 7.534 0.985 20 3 "[* . 1 . -+]"
1 146 GLU 10.938 0.518 5 1 "[ + 1 . 2]"
1 147 ASN 4.955 0.507 9 1 "[ . +1 . 2]"
1 148 ALA 2.626 0.107 18 0 "[ . 1 . 2]"
1 149 ALA 1.812 0.573 16 1 "[ . 1 .+ 2]"
1 150 PHE 1.957 0.102 19 0 "[ . 1 . 2]"
1 151 LYS 7.286 0.395 15 0 "[ . 1 . 2]"
1 152 GLU 3.720 0.573 16 1 "[ . 1 .+ 2]"
1 153 ILE 4.958 0.095 15 0 "[ . 1 . 2]"
1 154 HIS 1.486 0.095 15 0 "[ . 1 . 2]"
1 155 PRO 2.154 0.196 12 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 SER HA 1 4 GLU QB . . 4.760 4.343 3.748 4.851 0.091 15 0 "[ . 1 . 2]" 1
2 1 3 SER QB 1 4 GLU HA . . 3.890 3.781 3.645 3.878 . 0 0 "[ . 1 . 2]" 1
3 1 3 SER QB 1 4 GLU QB . . 5.070 4.365 3.074 4.818 . 0 0 "[ . 1 . 2]" 1
4 1 4 GLU HA 1 5 LEU H . . 3.250 2.537 2.143 3.238 . 0 0 "[ . 1 . 2]" 1
5 1 5 LEU H 1 5 LEU HB2 . . 3.220 2.884 2.209 3.725 0.505 14 1 "[ . 1 +. 2]" 1
6 1 5 LEU HA 1 5 LEU MD1 . . 3.540 2.793 2.097 4.085 0.545 18 3 "[ - . 1 *. + 2]" 1
7 1 5 LEU HA 1 6 THR H . . 3.130 2.522 2.205 3.132 0.002 3 0 "[ . 1 . 2]" 1
8 1 5 LEU HB2 1 5 LEU MD1 . . 2.980 2.303 1.993 2.469 . 0 0 "[ . 1 . 2]" 1
9 1 5 LEU HB2 1 5 LEU MD2 . . 2.960 2.620 2.401 3.201 0.241 14 0 "[ . 1 . 2]" 1
10 1 5 LEU HB2 1 6 THR H . . 4.750 3.953 2.056 4.734 . 0 0 "[ . 1 . 2]" 1
11 1 6 THR H 1 6 THR HB . . 4.080 3.550 2.782 4.028 . 0 0 "[ . 1 . 2]" 1
12 1 6 THR H 1 7 THR MG . . 4.360 4.321 3.041 4.490 0.130 8 0 "[ . 1 . 2]" 1
13 1 6 THR HA 1 6 THR HB . . 2.400 2.431 2.278 2.486 0.086 1 0 "[ . 1 . 2]" 1
14 1 6 THR HA 1 7 THR H . . 3.100 2.526 2.137 3.179 0.079 1 0 "[ . 1 . 2]" 1
15 1 6 THR HA 1 7 THR MG . . 3.420 3.368 3.032 3.524 0.104 8 0 "[ . 1 . 2]" 1
16 1 7 THR H 1 7 THR MG . . 4.310 3.024 2.304 3.291 . 0 0 "[ . 1 . 2]" 1
17 1 7 THR HA 1 7 THR MG . . 3.280 2.803 2.277 3.281 0.001 3 0 "[ . 1 . 2]" 1
18 1 7 THR HA 1 8 GLN H . . 2.980 2.631 2.194 3.050 0.070 19 0 "[ . 1 . 2]" 1
19 1 7 THR MG 1 8 GLN H . . 5.320 3.740 2.717 4.443 . 0 0 "[ . 1 . 2]" 1
20 1 9 ASP H 1 9 ASP HB2 . . 3.790 3.014 2.217 3.792 0.002 5 0 "[ . 1 . 2]" 1
21 1 9 ASP H 1 9 ASP HB3 . . 3.270 3.181 2.453 3.857 0.587 20 1 "[ . 1 . +]" 1
22 1 9 ASP H 1 10 GLY H . . 3.430 2.733 1.933 3.508 0.078 4 0 "[ . 1 . 2]" 1
23 1 9 ASP HA 1 9 ASP HB2 . . 2.950 2.609 2.313 3.051 0.101 15 0 "[ . 1 . 2]" 1
24 1 9 ASP HA 1 10 GLY H . . 3.050 2.860 2.156 3.136 0.086 11 0 "[ . 1 . 2]" 1
25 1 9 ASP HB2 1 10 GLY H . . 4.480 4.345 3.761 4.544 0.064 5 0 "[ . 1 . 2]" 1
26 1 9 ASP HB3 1 10 GLY H . . 4.400 4.268 3.768 4.525 0.125 3 0 "[ . 1 . 2]" 1
27 1 10 GLY H 1 11 GLU H . . 3.960 4.021 3.930 4.049 0.089 12 0 "[ . 1 . 2]" 1
28 1 10 GLY H 1 111 LEU QD . . 5.020 4.209 2.748 4.760 . 0 0 "[ . 1 . 2]" 1
29 1 10 GLY HA2 1 11 GLU H . . 3.080 2.276 2.120 3.018 . 0 0 "[ . 1 . 2]" 1
30 1 10 GLY HA2 1 111 LEU QD . . 3.390 2.663 2.024 3.285 . 0 0 "[ . 1 . 2]" 1
31 1 10 GLY HA3 1 11 GLU H . . 3.080 2.956 2.275 3.147 0.067 7 0 "[ . 1 . 2]" 1
32 1 10 GLY HA3 1 111 LEU QD . . 3.510 2.537 2.022 3.037 . 0 0 "[ . 1 . 2]" 1
33 1 11 GLU H 1 11 GLU HB2 . . 3.330 2.299 2.045 2.847 . 0 0 "[ . 1 . 2]" 1
34 1 11 GLU H 1 11 GLU HB3 . . 3.150 2.669 2.154 3.222 0.072 4 0 "[ . 1 . 2]" 1
35 1 11 GLU H 1 11 GLU QG . . 3.810 3.874 3.548 3.968 0.158 2 0 "[ . 1 . 2]" 1
36 1 11 GLU H 1 12 ASP H . . 4.600 4.627 4.542 4.668 0.068 8 0 "[ . 1 . 2]" 1
37 1 11 GLU H 1 111 LEU QD . . 3.270 2.674 1.881 3.238 . 0 0 "[ . 1 . 2]" 1
38 1 11 GLU H 1 115 GLY HA2 . . 5.110 3.641 2.735 4.506 . 0 0 "[ . 1 . 2]" 1
39 1 11 GLU H 1 116 LYS HA . . 4.600 3.779 2.552 4.470 . 0 0 "[ . 1 . 2]" 1
40 1 11 GLU H 1 116 LYS QG . . 5.500 5.022 3.996 5.576 0.076 13 0 "[ . 1 . 2]" 1
41 1 11 GLU H 1 117 TRP H . . 5.240 4.997 4.558 5.288 0.048 5 0 "[ . 1 . 2]" 1
42 1 11 GLU H 1 117 TRP HD1 . . 5.140 4.089 3.188 4.567 . 0 0 "[ . 1 . 2]" 1
43 1 11 GLU H 1 117 TRP HE1 . . 5.340 3.820 2.845 4.506 . 0 0 "[ . 1 . 2]" 1
44 1 11 GLU HA 1 11 GLU QG . . 3.300 2.359 2.100 2.714 . 0 0 "[ . 1 . 2]" 1
45 1 11 GLU HA 1 12 ASP H . . 2.840 2.381 2.247 2.621 . 0 0 "[ . 1 . 2]" 1
46 1 11 GLU HA 1 12 ASP HB2 . . 4.510 4.400 4.160 4.566 0.056 18 0 "[ . 1 . 2]" 1
47 1 11 GLU HA 1 117 TRP HE1 . . 5.500 4.581 4.168 5.249 . 0 0 "[ . 1 . 2]" 1
48 1 11 GLU HB2 1 116 LYS HA . . 4.590 3.042 2.356 3.537 . 0 0 "[ . 1 . 2]" 1
49 1 11 GLU HB2 1 117 TRP HD1 . . 3.810 3.653 2.469 3.888 0.078 12 0 "[ . 1 . 2]" 1
50 1 11 GLU HB3 1 12 ASP H . . 4.090 3.572 2.728 4.128 0.038 3 0 "[ . 1 . 2]" 1
51 1 11 GLU HB3 1 15 SER HB2 . . 5.150 5.126 4.732 5.245 0.095 14 0 "[ . 1 . 2]" 1
52 1 11 GLU HB3 1 15 SER HB3 . . 5.120 4.342 3.729 5.238 0.118 19 0 "[ . 1 . 2]" 1
53 1 11 GLU HB3 1 111 LEU QD . . 5.500 3.485 2.936 3.999 . 0 0 "[ . 1 . 2]" 1
54 1 11 GLU HB3 1 116 LYS HA . . 4.150 3.324 2.717 4.208 0.058 4 0 "[ . 1 . 2]" 1
55 1 11 GLU HB3 1 116 LYS QG . . 4.940 4.555 3.562 5.009 0.069 1 0 "[ . 1 . 2]" 1
56 1 11 GLU HB3 1 117 TRP H . . 4.410 3.595 3.061 4.145 . 0 0 "[ . 1 . 2]" 1
57 1 11 GLU HB3 1 117 TRP HD1 . . 3.150 2.156 1.923 2.309 . 0 0 "[ . 1 . 2]" 1
58 1 11 GLU HB3 1 117 TRP HE1 . . 4.220 3.074 2.466 3.750 . 0 0 "[ . 1 . 2]" 1
59 1 11 GLU QG 1 12 ASP H . . 3.780 2.338 1.888 2.734 . 0 0 "[ . 1 . 2]" 1
60 1 11 GLU QG 1 12 ASP HB2 . . 4.430 4.187 3.665 4.542 0.112 6 0 "[ . 1 . 2]" 1
61 1 11 GLU QG 1 12 ASP HB3 . . 4.710 4.040 3.661 4.503 . 0 0 "[ . 1 . 2]" 1
62 1 11 GLU QG 1 16 PHE H . . 4.590 3.406 2.528 4.406 . 0 0 "[ . 1 . 2]" 1
63 1 11 GLU QG 1 16 PHE HB3 . . 4.160 3.214 2.564 4.259 0.099 6 0 "[ . 1 . 2]" 1
64 1 11 GLU QG 1 111 LEU QD . . 5.500 4.742 4.039 5.187 . 0 0 "[ . 1 . 2]" 1
65 1 11 GLU QG 1 116 LYS HA . . 4.590 4.438 3.782 4.687 0.097 18 0 "[ . 1 . 2]" 1
66 1 11 GLU QG 1 116 LYS QG . . 5.390 4.670 3.551 5.494 0.104 14 0 "[ . 1 . 2]" 1
67 1 11 GLU QG 1 117 TRP H . . 5.500 4.613 4.143 5.009 . 0 0 "[ . 1 . 2]" 1
68 1 11 GLU QG 1 117 TRP HD1 . . 3.250 3.273 2.782 3.364 0.114 6 0 "[ . 1 . 2]" 1
69 1 11 GLU QG 1 117 TRP HE1 . . 4.820 4.146 3.326 4.618 . 0 0 "[ . 1 . 2]" 1
70 1 12 ASP H 1 12 ASP HB2 . . 3.340 2.336 2.146 2.585 . 0 0 "[ . 1 . 2]" 1
71 1 12 ASP H 1 12 ASP HB3 . . 3.320 2.818 2.319 3.073 . 0 0 "[ . 1 . 2]" 1
72 1 12 ASP H 1 13 PHE H . . 5.110 4.645 4.539 4.720 . 0 0 "[ . 1 . 2]" 1
73 1 12 ASP H 1 15 SER H . . 5.300 4.127 3.839 4.726 . 0 0 "[ . 1 . 2]" 1
74 1 12 ASP H 1 117 TRP HE1 . . 5.500 4.340 3.580 4.988 . 0 0 "[ . 1 . 2]" 1
75 1 12 ASP HA 1 13 PHE H . . 3.120 2.333 2.211 2.507 . 0 0 "[ . 1 . 2]" 1
76 1 12 ASP HA 1 117 TRP HE1 . . 4.490 3.646 2.611 4.346 . 0 0 "[ . 1 . 2]" 1
77 1 12 ASP HB2 1 13 PHE H . . 4.640 4.098 3.836 4.339 . 0 0 "[ . 1 . 2]" 1
78 1 12 ASP HB2 1 15 SER H . . 4.190 3.526 3.225 4.209 0.019 4 0 "[ . 1 . 2]" 1
79 1 12 ASP HB2 1 15 SER HB2 . . 3.670 2.809 2.390 3.617 . 0 0 "[ . 1 . 2]" 1
80 1 12 ASP HB2 1 15 SER HB3 . . 3.880 3.886 3.663 3.973 0.093 3 0 "[ . 1 . 2]" 1
81 1 12 ASP HB3 1 15 SER H . . 4.070 1.864 1.638 2.699 . 0 0 "[ . 1 . 2]" 1
82 1 12 ASP HB3 1 15 SER HB2 . . 3.670 2.022 1.932 2.145 . 0 0 "[ . 1 . 2]" 1
83 1 12 ASP HB3 1 15 SER HB3 . . 3.600 3.131 2.276 3.586 . 0 0 "[ . 1 . 2]" 1
84 1 12 ASP HB3 1 16 PHE QD . . 5.310 5.253 4.770 5.397 0.087 4 0 "[ . 1 . 2]" 1
85 1 13 PHE H 1 13 PHE QB . . 3.320 2.536 2.151 2.839 . 0 0 "[ . 1 . 2]" 1
86 1 13 PHE H 1 14 LYS H . . 3.760 2.661 2.408 2.997 . 0 0 "[ . 1 . 2]" 1
87 1 13 PHE H 1 14 LYS QB . . 4.780 4.478 4.189 4.850 0.070 8 0 "[ . 1 . 2]" 1
88 1 13 PHE H 1 15 SER H . . 5.030 4.072 3.627 4.346 . 0 0 "[ . 1 . 2]" 1
89 1 13 PHE H 1 117 TRP HE1 . . 4.620 4.179 3.341 4.679 0.059 18 0 "[ . 1 . 2]" 1
90 1 13 PHE H 1 117 TRP HZ2 . . 5.430 4.419 3.312 5.488 0.058 19 0 "[ . 1 . 2]" 1
91 1 13 PHE HA 1 16 PHE H . . 3.910 3.900 3.755 3.987 0.077 5 0 "[ . 1 . 2]" 1
92 1 13 PHE HA 1 16 PHE QD . . 4.500 2.299 2.085 2.648 . 0 0 "[ . 1 . 2]" 1
93 1 13 PHE HA 1 117 TRP HE1 . . 4.090 3.810 3.111 4.165 0.075 8 0 "[ . 1 . 2]" 1
94 1 13 PHE QB 1 14 LYS H . . 3.480 3.143 2.209 3.579 0.099 9 0 "[ . 1 . 2]" 1
95 1 13 PHE QB 1 117 TRP HZ2 . . 5.050 3.966 2.698 5.042 . 0 0 "[ . 1 . 2]" 1
96 1 14 LYS H 1 14 LYS QB . . 2.820 2.266 2.106 2.400 . 0 0 "[ . 1 . 2]" 1
97 1 14 LYS H 1 14 LYS QD . . 4.550 4.204 3.689 4.630 0.080 4 0 "[ . 1 . 2]" 1
98 1 14 LYS H 1 15 SER H . . 3.250 2.519 2.231 2.928 . 0 0 "[ . 1 . 2]" 1
99 1 14 LYS H 1 17 LEU H . . 4.750 4.805 4.667 4.840 0.090 6 0 "[ . 1 . 2]" 1
100 1 14 LYS HA 1 14 LYS QD . . 4.320 2.196 2.062 2.444 . 0 0 "[ . 1 . 2]" 1
101 1 14 LYS HA 1 14 LYS HG2 . . 3.230 3.206 2.439 3.817 0.587 4 4 "[ +.- 1 ** 2]" 1
102 1 14 LYS HA 1 14 LYS HG3 . . 3.990 3.262 2.598 3.789 . 0 0 "[ . 1 . 2]" 1
103 1 14 LYS HA 1 17 LEU H . . 3.850 3.296 2.853 3.522 . 0 0 "[ . 1 . 2]" 1
104 1 14 LYS HA 1 17 LEU HB2 . . 3.830 3.071 2.194 3.864 0.034 19 0 "[ . 1 . 2]" 1
105 1 14 LYS HA 1 17 LEU HB3 . . 4.030 2.752 2.140 3.155 . 0 0 "[ . 1 . 2]" 1
106 1 14 LYS HA 1 17 LEU QD . . 4.690 4.142 3.642 4.516 . 0 0 "[ . 1 . 2]" 1
107 1 14 LYS HA 1 18 ASP H . . 4.910 3.661 2.457 4.670 . 0 0 "[ . 1 . 2]" 1
108 1 14 LYS QB 1 14 LYS HG2 . . 2.680 2.280 2.146 2.493 . 0 0 "[ . 1 . 2]" 1
109 1 14 LYS QB 1 15 SER H . . 3.250 2.783 2.336 3.272 0.022 2 0 "[ . 1 . 2]" 1
110 1 14 LYS QB 1 16 PHE H . . 5.180 4.996 4.564 5.226 0.046 6 0 "[ . 1 . 2]" 1
111 1 14 LYS QD 1 17 LEU QD . . 3.940 3.708 2.994 3.961 0.021 7 0 "[ . 1 . 2]" 1
112 1 15 SER H 1 15 SER HB2 . . 3.360 2.299 2.069 2.552 . 0 0 "[ . 1 . 2]" 1
113 1 15 SER H 1 15 SER HB3 . . 3.240 3.013 2.586 3.446 0.206 10 0 "[ . 1 . 2]" 1
114 1 15 SER HA 1 17 LEU H . . 5.350 4.648 4.090 5.052 . 0 0 "[ . 1 . 2]" 1
115 1 16 PHE H 1 16 PHE HB2 . . 4.110 3.651 3.565 3.918 . 0 0 "[ . 1 . 2]" 1
116 1 16 PHE H 1 16 PHE HB3 . . 3.550 2.486 2.306 2.940 . 0 0 "[ . 1 . 2]" 1
117 1 16 PHE H 1 16 PHE QD . . 4.600 2.551 1.947 3.035 . 0 0 "[ . 1 . 2]" 1
118 1 16 PHE H 1 16 PHE QE . . 5.040 4.689 4.216 4.881 . 0 0 "[ . 1 . 2]" 1
119 1 16 PHE H 1 17 LEU H . . 3.650 2.532 1.919 2.773 . 0 0 "[ . 1 . 2]" 1
120 1 16 PHE H 1 17 LEU HB2 . . 5.110 4.471 3.773 4.872 . 0 0 "[ . 1 . 2]" 1
121 1 16 PHE H 1 17 LEU HB3 . . 5.500 5.098 4.517 5.523 0.023 6 0 "[ . 1 . 2]" 1
122 1 16 PHE H 1 18 ASP H . . 5.340 4.396 3.984 4.895 . 0 0 "[ . 1 . 2]" 1
123 1 16 PHE H 1 117 TRP HD1 . . 5.500 4.367 3.781 4.964 . 0 0 "[ . 1 . 2]" 1
124 1 16 PHE HA 1 19 LYS H . . 4.390 3.837 3.306 4.360 . 0 0 "[ . 1 . 2]" 1
125 1 16 PHE HA 1 19 LYS HB2 . . 3.740 3.333 2.146 3.815 0.075 20 0 "[ . 1 . 2]" 1
126 1 16 PHE HB2 1 17 LEU H . . 4.810 4.151 3.829 4.524 . 0 0 "[ . 1 . 2]" 1
127 1 16 PHE HB2 1 117 TRP HD1 . . 4.940 4.098 3.326 4.987 0.047 12 0 "[ . 1 . 2]" 1
128 1 16 PHE HB3 1 17 LEU H . . 4.390 3.895 3.693 4.179 . 0 0 "[ . 1 . 2]" 1
129 1 16 PHE HB3 1 117 TRP HD1 . . 4.740 2.820 2.306 3.500 . 0 0 "[ . 1 . 2]" 1
130 1 16 PHE QD 1 17 LEU H . . 4.000 3.002 2.449 3.233 . 0 0 "[ . 1 . 2]" 1
131 1 16 PHE QD 1 17 LEU HB2 . . 3.930 3.843 3.305 4.012 0.082 4 0 "[ . 1 . 2]" 1
132 1 16 PHE QD 1 17 LEU QD . . 4.540 3.747 3.286 4.213 . 0 0 "[ . 1 . 2]" 1
133 1 17 LEU H 1 17 LEU HB2 . . 3.330 2.204 2.085 2.392 . 0 0 "[ . 1 . 2]" 1
134 1 17 LEU H 1 17 LEU HB3 . . 3.380 2.791 2.574 2.900 . 0 0 "[ . 1 . 2]" 1
135 1 17 LEU H 1 17 LEU QD . . 4.120 3.562 3.417 3.784 . 0 0 "[ . 1 . 2]" 1
136 1 17 LEU H 1 18 ASP H . . 3.580 2.780 2.520 3.072 . 0 0 "[ . 1 . 2]" 1
137 1 17 LEU H 1 19 LYS H . . 5.500 4.486 3.629 4.901 . 0 0 "[ . 1 . 2]" 1
138 1 17 LEU HA 1 17 LEU QD . . 2.900 2.094 1.869 2.836 . 0 0 "[ . 1 . 2]" 1
139 1 17 LEU HA 1 19 LYS H . . 4.870 4.640 3.947 4.938 0.068 16 0 "[ . 1 . 2]" 1
140 1 17 LEU HA 1 20 PHE H . . 4.120 3.400 3.077 3.735 . 0 0 "[ . 1 . 2]" 1
141 1 17 LEU HA 1 21 THR H . . 4.290 4.099 3.903 4.361 0.071 2 0 "[ . 1 . 2]" 1
142 1 17 LEU HB2 1 18 ASP H . . 3.990 3.653 3.263 4.022 0.032 10 0 "[ . 1 . 2]" 1
143 1 17 LEU HB3 1 18 ASP H . . 3.500 2.598 1.944 3.043 . 0 0 "[ . 1 . 2]" 1
144 1 17 LEU HB3 1 21 THR H . . 5.500 5.499 5.176 5.599 0.099 2 0 "[ . 1 . 2]" 1
145 1 17 LEU QD 1 18 ASP H . . 5.240 3.622 3.159 3.940 . 0 0 "[ . 1 . 2]" 1
146 1 17 LEU QD 1 20 PHE QB . . 4.980 3.066 2.310 4.574 . 0 0 "[ . 1 . 2]" 1
147 1 17 LEU QD 1 20 PHE QD . . 3.670 2.482 1.955 2.940 . 0 0 "[ . 1 . 2]" 1
148 1 17 LEU QD 1 20 PHE QE . . 4.050 3.179 1.712 3.834 . 0 0 "[ . 1 . 2]" 1
149 1 17 LEU QD 1 21 THR H . . 5.140 3.330 2.980 3.673 . 0 0 "[ . 1 . 2]" 1
150 1 17 LEU QD 1 21 THR HA . . 5.040 4.535 4.229 4.863 . 0 0 "[ . 1 . 2]" 1
151 1 17 LEU QD 1 21 THR MG . . 3.520 2.078 1.825 2.212 . 0 0 "[ . 1 . 2]" 1
152 1 17 LEU QD 1 67 MET QB . . 3.880 3.090 2.453 3.632 . 0 0 "[ . 1 . 2]" 1
153 1 17 LEU QD 1 67 MET ME . . 3.110 2.243 1.767 2.656 . 0 0 "[ . 1 . 2]" 1
154 1 18 ASP H 1 18 ASP HB2 . . 2.930 2.449 2.015 2.770 . 0 0 "[ . 1 . 2]" 1
155 1 18 ASP H 1 18 ASP QB . . 2.910 2.250 1.985 2.680 . 0 0 "[ . 1 . 2]" 1
156 1 18 ASP H 1 19 LYS H . . 3.410 2.935 2.658 3.188 . 0 0 "[ . 1 . 2]" 1
157 1 18 ASP H 1 20 PHE H . . 4.780 4.107 3.744 4.707 . 0 0 "[ . 1 . 2]" 1
158 1 18 ASP HA 1 18 ASP QB . . 2.770 2.394 2.264 2.529 . 0 0 "[ . 1 . 2]" 1
159 1 18 ASP HA 1 20 PHE H . . 4.890 4.413 3.874 4.688 . 0 0 "[ . 1 . 2]" 1
160 1 18 ASP HA 1 21 THR H . . 4.480 3.733 3.407 4.251 . 0 0 "[ . 1 . 2]" 1
161 1 18 ASP QB 1 19 LYS H . . 3.360 2.499 2.074 3.016 . 0 0 "[ . 1 . 2]" 1
162 1 18 ASP QB 1 19 LYS QG . . 4.740 3.846 3.183 4.599 . 0 0 "[ . 1 . 2]" 1
163 1 18 ASP QB 1 21 THR H . . 5.280 5.154 4.828 5.371 0.091 5 0 "[ . 1 . 2]" 1
164 1 18 ASP HB2 1 19 LYS H . . 3.770 3.395 2.545 3.983 0.213 13 0 "[ . 1 . 2]" 1
165 1 18 ASP HB2 1 20 PHE H . . 5.500 5.446 4.748 6.203 0.703 13 1 "[ . 1 + . 2]" 1
166 1 19 LYS H 1 19 LYS HB2 . . 3.140 2.246 2.074 2.701 . 0 0 "[ . 1 . 2]" 1
167 1 19 LYS H 1 19 LYS HB3 . . 3.410 3.452 3.257 3.501 0.091 5 0 "[ . 1 . 2]" 1
168 1 19 LYS H 1 19 LYS QG . . 3.610 2.947 2.305 3.461 . 0 0 "[ . 1 . 2]" 1
169 1 19 LYS H 1 20 PHE H . . 3.350 2.704 2.186 3.091 . 0 0 "[ . 1 . 2]" 1
170 1 19 LYS H 1 21 THR H . . 4.610 4.387 3.718 4.665 0.055 10 0 "[ . 1 . 2]" 1
171 1 19 LYS H 1 22 SER H . . 4.870 4.788 4.544 4.947 0.077 11 0 "[ . 1 . 2]" 1
172 1 19 LYS H 1 22 SER QB . . 5.180 4.646 4.090 5.100 . 0 0 "[ . 1 . 2]" 1
173 1 19 LYS HA 1 19 LYS QG . . 2.970 2.232 2.079 2.572 . 0 0 "[ . 1 . 2]" 1
174 1 19 LYS HA 1 22 SER H . . 3.860 3.196 2.734 3.679 . 0 0 "[ . 1 . 2]" 1
175 1 19 LYS HB2 1 19 LYS QE . . 4.240 3.871 2.454 4.309 0.069 7 0 "[ . 1 . 2]" 1
176 1 19 LYS HB2 1 20 PHE H . . 3.750 3.124 2.751 3.817 0.067 10 0 "[ . 1 . 2]" 1
177 1 19 LYS HB3 1 19 LYS QE . . 4.660 3.869 2.406 4.526 . 0 0 "[ . 1 . 2]" 1
178 1 19 LYS HB3 1 20 PHE H . . 4.000 3.524 2.641 4.076 0.076 6 0 "[ . 1 . 2]" 1
179 1 19 LYS QE 1 19 LYS QG . . 3.340 2.223 2.019 2.455 . 0 0 "[ . 1 . 2]" 1
180 1 19 LYS QG 1 22 SER H . . 5.500 5.001 4.354 5.301 . 0 0 "[ . 1 . 2]" 1
181 1 20 PHE H 1 20 PHE QD . . 4.450 3.875 2.536 4.232 . 0 0 "[ . 1 . 2]" 1
182 1 20 PHE H 1 21 THR H . . 3.930 2.720 2.324 2.920 . 0 0 "[ . 1 . 2]" 1
183 1 20 PHE H 1 21 THR MG . . 4.850 4.549 3.849 4.947 0.097 20 0 "[ . 1 . 2]" 1
184 1 20 PHE H 1 22 SER H . . 5.390 3.898 3.284 4.099 . 0 0 "[ . 1 . 2]" 1
185 1 20 PHE HA 1 20 PHE QD . . 3.900 3.095 2.521 3.735 . 0 0 "[ . 1 . 2]" 1
186 1 20 PHE HA 1 27 GLN HA . . 4.490 3.901 3.038 4.497 0.007 2 0 "[ . 1 . 2]" 1
187 1 20 PHE QD 1 21 THR H . . 4.450 3.096 2.672 3.565 . 0 0 "[ . 1 . 2]" 1
188 1 20 PHE QD 1 21 THR MG . . 3.080 2.366 1.985 3.144 0.064 15 0 "[ . 1 . 2]" 1
189 1 20 PHE QD 1 27 GLN HA . . 4.000 3.329 2.073 4.092 0.092 15 0 "[ . 1 . 2]" 1
190 1 20 PHE QE 1 21 THR HA . . 4.590 4.414 3.549 4.698 0.108 17 0 "[ . 1 . 2]" 1
191 1 21 THR H 1 21 THR MG . . 3.420 2.486 2.180 2.819 . 0 0 "[ . 1 . 2]" 1
192 1 21 THR H 1 22 SER H . . 3.440 2.675 2.491 2.835 . 0 0 "[ . 1 . 2]" 1
193 1 21 THR H 1 23 SER H . . 4.770 4.594 3.955 4.839 0.069 5 0 "[ . 1 . 2]" 1
194 1 21 THR HA 1 21 THR MG . . 2.750 2.290 2.138 2.463 . 0 0 "[ . 1 . 2]" 1
195 1 21 THR HA 1 27 GLN HE21 . . 4.880 3.739 2.849 4.449 . 0 0 "[ . 1 . 2]" 1
196 1 21 THR HA 1 27 GLN HE22 . . 4.390 4.155 3.480 4.474 0.084 14 0 "[ . 1 . 2]" 1
197 1 21 THR HA 1 63 ASP HA . . 3.890 3.630 2.777 3.973 0.083 6 0 "[ . 1 . 2]" 1
198 1 21 THR MG 1 22 SER H . . 4.920 4.281 3.876 4.470 . 0 0 "[ . 1 . 2]" 1
199 1 21 THR MG 1 27 GLN HE21 . . 5.500 4.941 4.140 5.596 0.096 10 0 "[ . 1 . 2]" 1
200 1 21 THR MG 1 27 GLN HE22 . . 5.500 5.048 4.211 5.549 0.049 7 0 "[ . 1 . 2]" 1
201 1 21 THR MG 1 63 ASP HA . . 4.060 3.545 2.447 4.153 0.093 10 0 "[ . 1 . 2]" 1
202 1 21 THR MG 1 64 SER H . . 4.380 3.496 2.624 4.290 . 0 0 "[ . 1 . 2]" 1
203 1 21 THR MG 1 64 SER HA . . 3.100 2.460 2.029 3.204 0.104 7 0 "[ . 1 . 2]" 1
204 1 21 THR MG 1 64 SER QB . . 4.700 3.200 2.076 4.179 . 0 0 "[ . 1 . 2]" 1
205 1 22 SER H 1 22 SER QB . . 3.460 2.420 2.113 2.674 . 0 0 "[ . 1 . 2]" 1
206 1 22 SER H 1 23 SER H . . 3.070 2.575 2.101 2.983 . 0 0 "[ . 1 . 2]" 1
207 1 22 SER HA 1 22 SER QB . . 2.760 2.389 2.293 2.530 . 0 0 "[ . 1 . 2]" 1
208 1 23 SER H 1 23 SER QB . . 3.510 2.953 2.632 3.501 . 0 0 "[ . 1 . 2]" 1
209 1 23 SER H 1 24 ALA H . . 4.450 3.800 3.202 4.353 . 0 0 "[ . 1 . 2]" 1
210 1 23 SER H 1 26 PHE HB2 . . 5.360 4.957 3.927 6.032 0.672 20 1 "[ . 1 . +]" 1
211 1 23 SER HA 1 24 ALA H . . 3.270 2.218 2.029 2.344 . 0 0 "[ . 1 . 2]" 1
212 1 23 SER HA 1 24 ALA MB . . 4.260 3.982 3.798 4.254 . 0 0 "[ . 1 . 2]" 1
213 1 23 SER HA 1 26 PHE HB2 . . 5.100 4.559 3.140 5.001 . 0 0 "[ . 1 . 2]" 1
214 1 23 SER QB 1 24 ALA H . . 5.020 3.585 2.692 4.062 . 0 0 "[ . 1 . 2]" 1
215 1 23 SER QB 1 25 ALA H . . 5.350 3.925 2.998 4.819 . 0 0 "[ . 1 . 2]" 1
216 1 23 SER QB 1 26 PHE H . . 3.940 2.867 2.336 3.342 . 0 0 "[ . 1 . 2]" 1
217 1 23 SER QB 1 26 PHE HA . . 4.590 4.478 3.860 4.693 0.103 16 0 "[ . 1 . 2]" 1
218 1 23 SER QB 1 26 PHE HB2 . . 5.310 2.150 1.972 2.651 . 0 0 "[ . 1 . 2]" 1
219 1 23 SER QB 1 26 PHE HB3 . . 4.710 3.004 2.026 4.271 . 0 0 "[ . 1 . 2]" 1
220 1 23 SER QB 1 27 GLN H . . 5.500 4.184 2.827 4.923 . 0 0 "[ . 1 . 2]" 1
221 1 24 ALA H 1 24 ALA MB . . 3.120 2.218 2.128 2.319 . 0 0 "[ . 1 . 2]" 1
222 1 24 ALA H 1 25 ALA H . . 3.810 2.782 2.065 3.158 . 0 0 "[ . 1 . 2]" 1
223 1 24 ALA H 1 25 ALA MB . . 5.500 4.438 3.895 4.845 . 0 0 "[ . 1 . 2]" 1
224 1 24 ALA H 1 26 PHE H . . 5.170 4.031 3.302 4.405 . 0 0 "[ . 1 . 2]" 1
225 1 24 ALA H 1 61 LEU QD . . 5.500 4.166 3.773 4.690 . 0 0 "[ . 1 . 2]" 1
226 1 24 ALA H 1 150 PHE QE . . 4.260 3.228 2.418 4.303 0.043 10 0 "[ . 1 . 2]" 1
227 1 24 ALA HA 1 26 PHE H . . 4.120 4.048 3.687 4.197 0.077 15 0 "[ . 1 . 2]" 1
228 1 24 ALA HA 1 27 GLN H . . 4.270 3.737 3.426 4.078 . 0 0 "[ . 1 . 2]" 1
229 1 24 ALA HA 1 27 GLN QB . . 4.190 3.573 2.681 4.148 . 0 0 "[ . 1 . 2]" 1
230 1 24 ALA HA 1 27 GLN HE22 . . 5.500 4.256 3.746 5.061 . 0 0 "[ . 1 . 2]" 1
231 1 24 ALA HA 1 61 LEU QD . . 3.470 2.311 1.985 3.324 . 0 0 "[ . 1 . 2]" 1
232 1 24 ALA HA 1 61 LEU HG . . 4.930 4.174 2.284 5.015 0.085 9 0 "[ . 1 . 2]" 1
233 1 24 ALA HA 1 150 PHE QE . . 4.080 3.082 2.353 3.841 . 0 0 "[ . 1 . 2]" 1
234 1 24 ALA MB 1 25 ALA H . . 3.340 2.464 2.137 3.423 0.083 6 0 "[ . 1 . 2]" 1
235 1 24 ALA MB 1 25 ALA HA . . 4.450 3.815 3.487 4.345 . 0 0 "[ . 1 . 2]" 1
236 1 24 ALA MB 1 26 PHE H . . 5.400 4.316 4.114 4.644 . 0 0 "[ . 1 . 2]" 1
237 1 24 ALA MB 1 61 LEU QD . . 3.250 1.921 1.812 2.090 . 0 0 "[ . 1 . 2]" 1
238 1 24 ALA MB 1 150 PHE HB3 . . 5.010 4.244 3.645 4.660 . 0 0 "[ . 1 . 2]" 1
239 1 24 ALA MB 1 150 PHE QD . . 2.750 2.392 2.023 2.823 0.073 12 0 "[ . 1 . 2]" 1
240 1 24 ALA MB 1 150 PHE QE . . 3.340 2.472 2.165 2.911 . 0 0 "[ . 1 . 2]" 1
241 1 24 ALA MB 1 151 LYS HA . . 3.510 2.814 2.317 3.604 0.094 12 0 "[ . 1 . 2]" 1
242 1 24 ALA MB 1 151 LYS QE . . 4.370 3.588 2.847 4.134 . 0 0 "[ . 1 . 2]" 1
243 1 24 ALA MB 1 155 PRO HA . . 3.810 2.447 1.958 3.182 . 0 0 "[ . 1 . 2]" 1
244 1 24 ALA MB 1 155 PRO HB3 . . 4.590 4.177 3.371 4.786 0.196 12 0 "[ . 1 . 2]" 1
245 1 25 ALA H 1 25 ALA MB . . 2.780 2.260 2.164 2.521 . 0 0 "[ . 1 . 2]" 1
246 1 25 ALA H 1 26 PHE H . . 3.610 2.723 2.057 2.930 . 0 0 "[ . 1 . 2]" 1
247 1 25 ALA H 1 26 PHE HB2 . . 5.500 4.582 3.695 5.075 . 0 0 "[ . 1 . 2]" 1
248 1 25 ALA H 1 28 TYR QD . . 5.240 4.830 4.514 5.324 0.084 9 0 "[ . 1 . 2]" 1
249 1 25 ALA HA 1 28 TYR QD . . 3.290 2.450 1.996 3.065 . 0 0 "[ . 1 . 2]" 1
250 1 25 ALA HA 1 61 LEU QD . . 4.710 4.212 3.629 4.545 . 0 0 "[ . 1 . 2]" 1
251 1 25 ALA MB 1 26 PHE H . . 3.370 3.110 2.881 3.430 0.060 6 0 "[ . 1 . 2]" 1
252 1 25 ALA MB 1 27 GLN H . . 5.190 4.715 4.587 4.992 . 0 0 "[ . 1 . 2]" 1
253 1 25 ALA MB 1 28 TYR QD . . 4.510 3.895 3.466 4.295 . 0 0 "[ . 1 . 2]" 1
254 1 25 ALA MB 1 61 LEU QD . . 5.500 4.713 4.258 5.058 . 0 0 "[ . 1 . 2]" 1
255 1 26 PHE H 1 26 PHE HB2 . . 3.440 2.310 2.054 2.600 . 0 0 "[ . 1 . 2]" 1
256 1 26 PHE H 1 26 PHE HB3 . . 3.420 3.160 2.494 3.506 0.086 5 0 "[ . 1 . 2]" 1
257 1 26 PHE H 1 27 GLN H . . 3.610 2.377 2.084 2.614 . 0 0 "[ . 1 . 2]" 1
258 1 26 PHE H 1 27 GLN QB . . 5.500 4.326 3.910 4.813 . 0 0 "[ . 1 . 2]" 1
259 1 26 PHE H 1 28 TYR QD . . 4.300 4.345 4.020 4.392 0.092 8 0 "[ . 1 . 2]" 1
260 1 26 PHE HA 1 28 TYR H . . 4.550 4.240 3.759 4.613 0.063 12 0 "[ . 1 . 2]" 1
261 1 26 PHE HA 1 29 THR H . . 4.310 3.506 2.656 4.324 0.014 19 0 "[ . 1 . 2]" 1
262 1 26 PHE HA 1 29 THR MG . . 3.900 2.352 1.912 3.225 . 0 0 "[ . 1 . 2]" 1
263 1 26 PHE HB2 1 27 GLN H . . 4.520 3.655 3.221 4.052 . 0 0 "[ . 1 . 2]" 1
264 1 26 PHE HB3 1 27 GLN H . . 3.920 3.492 2.861 3.985 0.065 5 0 "[ . 1 . 2]" 1
265 1 26 PHE HB3 1 29 THR MG . . 4.650 4.240 3.260 4.744 0.094 16 0 "[ . 1 . 2]" 1
266 1 27 GLN H 1 27 GLN QB . . 3.630 2.305 1.974 2.722 . 0 0 "[ . 1 . 2]" 1
267 1 27 GLN H 1 27 GLN HE21 . . 4.680 4.567 3.596 4.760 0.080 11 0 "[ . 1 . 2]" 1
268 1 27 GLN H 1 28 TYR H . . 3.950 2.805 2.522 2.967 . 0 0 "[ . 1 . 2]" 1
269 1 27 GLN H 1 61 LEU QD . . 5.210 4.144 3.566 5.095 . 0 0 "[ . 1 . 2]" 1
270 1 27 GLN HA 1 29 THR H . . 5.500 4.122 3.497 4.627 . 0 0 "[ . 1 . 2]" 1
271 1 27 GLN HA 1 30 ARG H . . 4.990 4.343 3.838 4.978 . 0 0 "[ . 1 . 2]" 1
272 1 27 GLN HA 1 31 VAL QG . . 4.930 4.360 3.840 4.734 . 0 0 "[ . 1 . 2]" 1
273 1 27 GLN HA 1 59 TRP HE1 . . 5.500 4.917 4.246 5.590 0.090 19 0 "[ . 1 . 2]" 1
274 1 27 GLN QB 1 27 GLN HE22 . . 4.700 3.913 3.259 4.272 . 0 0 "[ . 1 . 2]" 1
275 1 27 GLN QB 1 28 TYR H . . 3.830 2.681 2.308 3.475 . 0 0 "[ . 1 . 2]" 1
276 1 27 GLN QB 1 28 TYR QD . . 4.480 3.778 3.455 4.364 . 0 0 "[ . 1 . 2]" 1
277 1 27 GLN QB 1 61 LEU QD . . 4.620 2.816 2.314 3.822 . 0 0 "[ . 1 . 2]" 1
278 1 27 GLN HE21 1 62 LEU H . . 4.370 4.067 3.567 4.442 0.072 13 0 "[ . 1 . 2]" 1
279 1 27 GLN HE22 1 61 LEU HA . . 4.540 3.418 2.913 3.949 . 0 0 "[ . 1 . 2]" 1
280 1 27 GLN HE22 1 61 LEU QD . . 4.850 3.461 2.845 4.310 . 0 0 "[ . 1 . 2]" 1
281 1 27 GLN HE22 1 62 LEU H . . 4.120 2.511 1.992 2.900 . 0 0 "[ . 1 . 2]" 1
282 1 27 GLN HE22 1 62 LEU QD . . 5.500 4.475 3.490 5.004 . 0 0 "[ . 1 . 2]" 1
283 1 28 TYR H 1 28 TYR QB . . 3.680 2.501 2.375 2.636 . 0 0 "[ . 1 . 2]" 1
284 1 28 TYR H 1 28 TYR QD . . 3.880 2.256 1.725 2.864 . 0 0 "[ . 1 . 2]" 1
285 1 28 TYR H 1 28 TYR QE . . 5.340 4.041 3.792 4.337 . 0 0 "[ . 1 . 2]" 1
286 1 28 TYR H 1 29 THR H . . 3.760 2.971 2.475 3.189 . 0 0 "[ . 1 . 2]" 1
287 1 28 TYR H 1 29 THR MG . . 5.010 3.992 3.469 4.322 . 0 0 "[ . 1 . 2]" 1
288 1 28 TYR H 1 30 ARG H . . 5.090 4.682 4.350 5.095 0.005 15 0 "[ . 1 . 2]" 1
289 1 28 TYR H 1 61 LEU QD . . 4.850 4.304 3.474 4.828 . 0 0 "[ . 1 . 2]" 1
290 1 28 TYR HA 1 28 TYR QD . . 2.950 2.830 2.501 3.031 0.081 19 0 "[ . 1 . 2]" 1
291 1 28 TYR HA 1 29 THR MG . . 5.500 4.884 4.490 5.217 . 0 0 "[ . 1 . 2]" 1
292 1 28 TYR HA 1 30 ARG H . . 5.110 3.874 3.649 4.221 . 0 0 "[ . 1 . 2]" 1
293 1 28 TYR HA 1 31 VAL QG . . 4.520 2.846 2.532 3.327 . 0 0 "[ . 1 . 2]" 1
294 1 28 TYR HA 1 56 LYS QE . . 4.820 4.218 3.159 4.923 0.103 1 0 "[ . 1 . 2]" 1
295 1 28 TYR QB 1 29 THR H . . 4.680 2.918 2.460 3.602 . 0 0 "[ . 1 . 2]" 1
296 1 28 TYR QB 1 56 LYS QE . . 3.920 2.937 2.181 4.005 0.085 10 0 "[ . 1 . 2]" 1
297 1 28 TYR QD 1 29 THR H . . 4.730 4.286 3.848 4.725 . 0 0 "[ . 1 . 2]" 1
298 1 28 TYR QD 1 29 THR MG . . 4.530 4.476 3.944 4.648 0.118 8 0 "[ . 1 . 2]" 1
299 1 28 TYR QD 1 56 LYS HA . . 3.940 3.766 3.166 4.027 0.087 14 0 "[ . 1 . 2]" 1
300 1 28 TYR QD 1 56 LYS QD . . 4.760 3.762 2.143 4.859 0.099 9 0 "[ . 1 . 2]" 1
301 1 28 TYR QD 1 56 LYS QE . . 3.790 3.198 2.205 3.889 0.099 5 0 "[ . 1 . 2]" 1
302 1 28 TYR QD 1 59 TRP HB3 . . 4.380 3.838 3.175 4.387 0.007 2 0 "[ . 1 . 2]" 1
303 1 28 TYR QD 1 59 TRP HD1 . . 4.920 4.294 3.560 4.725 . 0 0 "[ . 1 . 2]" 1
304 1 28 TYR QD 1 61 LEU QD . . 4.430 3.824 3.059 4.207 . 0 0 "[ . 1 . 2]" 1
305 1 28 TYR QE 1 59 TRP QB . . 3.300 2.413 2.139 3.110 . 0 0 "[ . 1 . 2]" 1
306 1 28 TYR QE 1 59 TRP HB3 . . 4.610 2.449 2.167 3.178 . 0 0 "[ . 1 . 2]" 1
307 1 28 TYR QE 1 59 TRP HD1 . . 3.780 3.286 2.553 3.854 0.074 14 0 "[ . 1 . 2]" 1
308 1 28 TYR QE 1 59 TRP HE1 . . 5.500 4.956 4.267 5.562 0.062 9 0 "[ . 1 . 2]" 1
309 1 28 TYR QE 1 61 LEU QD . . 3.570 2.523 1.903 3.172 . 0 0 "[ . 1 . 2]" 1
310 1 29 THR H 1 29 THR MG . . 2.950 2.153 1.805 2.527 . 0 0 "[ . 1 . 2]" 1
311 1 29 THR H 1 31 VAL H . . 5.380 5.158 4.236 5.441 0.061 6 0 "[ . 1 . 2]" 1
312 1 29 THR HA 1 29 THR MG . . 3.390 2.961 2.329 3.288 . 0 0 "[ . 1 . 2]" 1
313 1 29 THR HA 1 31 VAL H . . 4.450 4.053 3.747 4.527 0.077 18 0 "[ . 1 . 2]" 1
314 1 29 THR MG 1 30 ARG H . . 5.500 3.925 3.073 4.430 . 0 0 "[ . 1 . 2]" 1
315 1 30 ARG H 1 30 ARG QB . . 3.920 2.821 2.228 3.344 . 0 0 "[ . 1 . 2]" 1
316 1 30 ARG H 1 31 VAL H . . 3.260 2.628 2.110 3.068 . 0 0 "[ . 1 . 2]" 1
317 1 30 ARG H 1 31 VAL HB . . 4.130 4.108 3.828 4.209 0.079 6 0 "[ . 1 . 2]" 1
318 1 30 ARG H 1 31 VAL QG . . 5.020 2.475 2.029 2.741 . 0 0 "[ . 1 . 2]" 1
319 1 30 ARG H 1 118 TYR HA . . 5.500 5.459 5.163 5.572 0.072 13 0 "[ . 1 . 2]" 1
320 1 30 ARG HA 1 30 ARG QG . . 3.800 2.801 2.103 3.390 . 0 0 "[ . 1 . 2]" 1
321 1 30 ARG HA 1 118 TYR HA . . 3.500 3.444 3.134 3.588 0.088 12 0 "[ . 1 . 2]" 1
322 1 30 ARG HA 1 119 VAL H . . 4.460 4.484 4.362 4.545 0.085 3 0 "[ . 1 . 2]" 1
323 1 30 ARG QB 1 118 TYR HA . . 5.030 3.250 2.218 4.688 . 0 0 "[ . 1 . 2]" 1
324 1 30 ARG QG 1 31 VAL H . . 4.680 4.359 3.580 4.739 0.059 16 0 "[ . 1 . 2]" 1
325 1 31 VAL H 1 31 VAL HB . . 3.300 3.031 2.671 3.387 0.087 18 0 "[ . 1 . 2]" 1
326 1 31 VAL H 1 31 VAL QG . . 3.320 2.571 2.175 2.848 . 0 0 "[ . 1 . 2]" 1
327 1 31 VAL H 1 32 LYS H . . 4.550 4.349 4.233 4.464 . 0 0 "[ . 1 . 2]" 1
328 1 31 VAL H 1 119 VAL QG . . 5.500 4.767 4.058 5.220 . 0 0 "[ . 1 . 2]" 1
329 1 31 VAL HA 1 31 VAL QG . . 3.190 2.271 2.092 2.479 . 0 0 "[ . 1 . 2]" 1
330 1 31 VAL HA 1 32 LYS H . . 3.050 2.210 2.099 2.322 . 0 0 "[ . 1 . 2]" 1
331 1 31 VAL HA 1 119 VAL H . . 3.620 2.220 1.658 2.932 . 0 0 "[ . 1 . 2]" 1
332 1 31 VAL HA 1 119 VAL QG . . 4.320 3.160 2.185 3.604 . 0 0 "[ . 1 . 2]" 1
333 1 31 VAL HB 1 32 LYS H . . 3.940 3.954 3.703 4.029 0.089 12 0 "[ . 1 . 2]" 1
334 1 31 VAL QG 1 32 LYS H . . 3.360 2.435 2.098 2.678 . 0 0 "[ . 1 . 2]" 1
335 1 31 VAL QG 1 33 PHE H . . 5.130 4.767 3.770 5.114 . 0 0 "[ . 1 . 2]" 1
336 1 31 VAL QG 1 33 PHE QD . . 3.770 3.380 2.687 3.834 0.064 9 0 "[ . 1 . 2]" 1
337 1 31 VAL QG 1 35 LEU QD . . 3.050 2.271 2.072 2.742 . 0 0 "[ . 1 . 2]" 1
338 1 31 VAL QG 1 59 TRP HE1 . . 4.760 4.553 4.135 4.748 . 0 0 "[ . 1 . 2]" 1
339 1 31 VAL QG 1 59 TRP HZ2 . . 3.770 3.286 2.521 3.619 . 0 0 "[ . 1 . 2]" 1
340 1 31 VAL QG 1 59 TRP HZ3 . . 4.030 2.348 2.085 2.768 . 0 0 "[ . 1 . 2]" 1
341 1 31 VAL QG 1 119 VAL H . . 4.050 3.308 3.004 3.684 . 0 0 "[ . 1 . 2]" 1
342 1 31 VAL QG 1 119 VAL QG . . 3.470 2.368 1.894 2.696 . 0 0 "[ . 1 . 2]" 1
343 1 31 VAL QG 1 121 ASP H . . 5.500 4.070 3.503 4.617 . 0 0 "[ . 1 . 2]" 1
344 1 32 LYS H 1 32 LYS HB2 . . 3.740 2.284 2.033 2.502 . 0 0 "[ . 1 . 2]" 1
345 1 32 LYS H 1 32 LYS HB3 . . 3.930 3.494 2.950 3.699 . 0 0 "[ . 1 . 2]" 1
346 1 32 LYS H 1 32 LYS HG2 . . 3.780 3.257 2.560 3.864 0.084 12 0 "[ . 1 . 2]" 1
347 1 32 LYS H 1 32 LYS HG3 . . 4.090 4.043 3.599 4.170 0.080 13 0 "[ . 1 . 2]" 1
348 1 32 LYS H 1 33 PHE H . . 4.570 4.522 4.089 4.632 0.062 11 0 "[ . 1 . 2]" 1
349 1 32 LYS H 1 118 TYR HB3 . . 5.460 3.237 2.720 4.783 . 0 0 "[ . 1 . 2]" 1
350 1 32 LYS H 1 119 VAL H . . 4.380 3.709 3.157 4.123 . 0 0 "[ . 1 . 2]" 1
351 1 32 LYS H 1 119 VAL QG . . 4.610 3.977 3.122 4.421 . 0 0 "[ . 1 . 2]" 1
352 1 32 LYS H 1 120 VAL QG . . 5.390 3.523 3.073 4.310 . 0 0 "[ . 1 . 2]" 1
353 1 32 LYS H 1 121 ASP H . . 5.210 5.254 5.020 5.307 0.097 18 0 "[ . 1 . 2]" 1
354 1 32 LYS HA 1 32 LYS HD2 . . 3.540 3.173 2.182 3.629 0.089 10 0 "[ . 1 . 2]" 1
355 1 32 LYS HA 1 32 LYS HD3 . . 3.390 2.638 2.207 3.626 0.236 7 0 "[ . 1 . 2]" 1
356 1 32 LYS HA 1 32 LYS HG2 . . 3.800 2.696 2.193 3.017 . 0 0 "[ . 1 . 2]" 1
357 1 32 LYS HA 1 32 LYS HG3 . . 3.700 3.698 3.506 3.776 0.076 4 0 "[ . 1 . 2]" 1
358 1 32 LYS HA 1 33 PHE H . . 2.840 2.439 2.168 2.651 . 0 0 "[ . 1 . 2]" 1
359 1 32 LYS HB3 1 33 PHE H . . 4.860 2.648 2.362 3.805 . 0 0 "[ . 1 . 2]" 1
360 1 32 LYS HD3 1 112 GLN QE . . 5.500 4.846 3.911 5.340 . 0 0 "[ . 1 . 2]" 1
361 1 32 LYS HD3 1 118 TYR QD . . 4.300 3.838 2.556 4.393 0.093 8 0 "[ . 1 . 2]" 1
362 1 32 LYS QE 1 32 LYS HG3 . . 3.850 2.449 2.053 3.263 . 0 0 "[ . 1 . 2]" 1
363 1 32 LYS QE 1 118 TYR QD . . 4.450 3.799 2.194 4.364 . 0 0 "[ . 1 . 2]" 1
364 1 32 LYS QE 1 118 TYR QE . . 5.500 4.527 2.653 5.378 . 0 0 "[ . 1 . 2]" 1
365 1 32 LYS HG2 1 33 PHE H . . 4.680 4.508 3.552 4.771 0.091 1 0 "[ . 1 . 2]" 1
366 1 32 LYS HG2 1 112 GLN QE . . 4.970 3.811 3.039 4.356 . 0 0 "[ . 1 . 2]" 1
367 1 32 LYS HG2 1 118 TYR HB3 . . 5.500 2.512 2.000 3.435 . 0 0 "[ . 1 . 2]" 1
368 1 32 LYS HG2 1 118 TYR QD . . 3.740 2.625 2.099 3.419 . 0 0 "[ . 1 . 2]" 1
369 1 32 LYS HG3 1 112 GLN QE . . 5.100 3.038 2.432 4.058 . 0 0 "[ . 1 . 2]" 1
370 1 32 LYS HG3 1 118 TYR QD . . 4.660 4.096 2.573 4.737 0.077 3 0 "[ . 1 . 2]" 1
371 1 32 LYS HG3 1 120 VAL QG . . 3.920 2.634 2.052 3.426 . 0 0 "[ . 1 . 2]" 1
372 1 33 PHE H 1 33 PHE QB . . 3.870 2.813 2.295 2.992 . 0 0 "[ . 1 . 2]" 1
373 1 33 PHE H 1 34 PRO HA . . 5.010 4.888 4.746 5.063 0.053 1 0 "[ . 1 . 2]" 1
374 1 33 PHE H 1 35 LEU QD . . 5.270 4.595 4.186 4.849 . 0 0 "[ . 1 . 2]" 1
375 1 33 PHE HA 1 34 PRO HA . . 3.380 2.519 2.373 2.766 . 0 0 "[ . 1 . 2]" 1
376 1 33 PHE HA 1 35 LEU QD . . 4.370 3.063 2.154 3.402 . 0 0 "[ . 1 . 2]" 1
377 1 33 PHE HA 1 35 LEU HG . . 4.910 3.342 2.441 5.006 0.096 18 0 "[ . 1 . 2]" 1
378 1 33 PHE QB 1 34 PRO HA . . 4.150 2.631 1.911 3.642 . 0 0 "[ . 1 . 2]" 1
379 1 33 PHE QD 1 34 PRO HA . . 3.960 2.763 2.226 3.209 . 0 0 "[ . 1 . 2]" 1
380 1 33 PHE QD 1 35 LEU H . . 5.090 3.547 2.725 4.372 . 0 0 "[ . 1 . 2]" 1
381 1 33 PHE QD 1 35 LEU QD . . 3.440 2.986 2.033 3.255 . 0 0 "[ . 1 . 2]" 1
382 1 33 PHE QD 1 35 LEU HG . . 4.310 2.538 2.193 4.243 . 0 0 "[ . 1 . 2]" 1
383 1 33 PHE QE 1 35 LEU QD . . 4.780 2.538 1.958 3.333 . 0 0 "[ . 1 . 2]" 1
384 1 33 PHE QE 1 35 LEU HG . . 3.770 2.888 2.428 3.872 0.102 18 0 "[ . 1 . 2]" 1
385 1 33 PHE QE 1 54 PHE HB3 . . 4.370 3.190 2.040 5.155 0.785 15 1 "[ . 1 + 2]" 1
386 1 33 PHE QE 1 54 PHE QD . . 2.610 2.422 2.057 2.716 0.106 13 0 "[ . 1 . 2]" 1
387 1 34 PRO HA 1 35 LEU H . . 3.520 2.519 2.352 3.256 . 0 0 "[ . 1 . 2]" 1
388 1 34 PRO HA 1 35 LEU HG . . 5.390 3.891 3.361 5.474 0.084 18 0 "[ . 1 . 2]" 1
389 1 34 PRO HB2 1 35 LEU H . . 4.590 2.615 2.167 4.051 . 0 0 "[ . 1 . 2]" 1
390 1 34 PRO HB3 1 35 LEU H . . 4.580 3.540 3.284 4.461 . 0 0 "[ . 1 . 2]" 1
391 1 35 LEU H 1 35 LEU QB . . 3.710 2.518 2.318 3.498 . 0 0 "[ . 1 . 2]" 1
392 1 35 LEU H 1 35 LEU QD . . 4.190 3.348 2.017 3.602 . 0 0 "[ . 1 . 2]" 1
393 1 35 LEU H 1 35 LEU HG . . 3.890 2.919 2.527 3.959 0.069 18 0 "[ . 1 . 2]" 1
394 1 35 LEU H 1 36 LYS H . . 5.410 4.422 4.141 4.510 . 0 0 "[ . 1 . 2]" 1
395 1 35 LEU H 1 54 PHE HB3 . . 4.610 4.452 3.181 5.591 0.981 15 5 "[ * . * 1 -*+ 2]" 1
396 1 35 LEU HA 1 35 LEU QD . . 3.030 2.163 2.064 2.524 . 0 0 "[ . 1 . 2]" 1
397 1 35 LEU HA 1 35 LEU HG . . 3.820 3.179 2.975 3.662 . 0 0 "[ . 1 . 2]" 1
398 1 35 LEU HA 1 36 LYS H . . 3.130 2.504 2.260 2.659 . 0 0 "[ . 1 . 2]" 1
399 1 35 LEU HA 1 37 THR H . . 4.940 4.734 4.222 5.007 0.067 12 0 "[ . 1 . 2]" 1
400 1 35 LEU QB 1 36 LYS H . . 3.590 2.073 1.619 2.308 . 0 0 "[ . 1 . 2]" 1
401 1 35 LEU QB 1 36 LYS QG . . 4.230 3.752 3.316 3.976 . 0 0 "[ . 1 . 2]" 1
402 1 35 LEU QB 1 37 THR H . . 4.030 3.065 2.416 3.491 . 0 0 "[ . 1 . 2]" 1
403 1 35 LEU QB 1 54 PHE HB2 . . 4.640 4.083 3.430 4.712 0.072 10 0 "[ . 1 . 2]" 1
404 1 35 LEU QB 1 54 PHE HB3 . . 4.580 3.960 3.220 4.360 . 0 0 "[ . 1 . 2]" 1
405 1 35 LEU QB 1 121 ASP HA . . 3.300 2.223 1.915 2.708 . 0 0 "[ . 1 . 2]" 1
406 1 35 LEU QB 1 122 CYS H . . 3.750 3.002 2.708 3.472 . 0 0 "[ . 1 . 2]" 1
407 1 35 LEU QD 1 36 LYS H . . 3.510 3.311 2.825 3.390 . 0 0 "[ . 1 . 2]" 1
408 1 35 LEU QD 1 37 THR H . . 5.060 4.200 3.613 4.554 . 0 0 "[ . 1 . 2]" 1
409 1 35 LEU QD 1 54 PHE H . . 5.500 5.113 4.131 5.534 0.034 12 0 "[ . 1 . 2]" 1
410 1 35 LEU QD 1 54 PHE HB2 . . 4.500 3.253 2.121 4.150 . 0 0 "[ . 1 . 2]" 1
411 1 35 LEU QD 1 54 PHE HB3 . . 5.500 3.084 1.951 3.694 . 0 0 "[ . 1 . 2]" 1
412 1 35 LEU QD 1 54 PHE QD . . 3.810 2.899 2.122 3.542 . 0 0 "[ . 1 . 2]" 1
413 1 35 LEU QD 1 119 VAL QG . . 3.340 2.836 2.391 3.162 . 0 0 "[ . 1 . 2]" 1
414 1 35 LEU QD 1 120 VAL H . . 5.500 3.894 3.608 4.139 . 0 0 "[ . 1 . 2]" 1
415 1 35 LEU QD 1 120 VAL HA . . 3.390 2.379 2.111 2.748 . 0 0 "[ . 1 . 2]" 1
416 1 35 LEU QD 1 120 VAL QG . . 4.240 3.555 3.141 3.765 . 0 0 "[ . 1 . 2]" 1
417 1 35 LEU QD 1 121 ASP H . . 4.100 2.555 2.395 3.149 . 0 0 "[ . 1 . 2]" 1
418 1 35 LEU QD 1 121 ASP HA . . 3.360 2.400 2.046 2.830 . 0 0 "[ . 1 . 2]" 1
419 1 35 LEU QD 1 122 CYS H . . 3.500 2.430 2.170 2.919 . 0 0 "[ . 1 . 2]" 1
420 1 35 LEU QD 1 122 CYS HA . . 4.450 3.800 3.553 4.294 . 0 0 "[ . 1 . 2]" 1
421 1 35 LEU QD 1 122 CYS QB . . 3.250 2.081 1.756 2.571 . 0 0 "[ . 1 . 2]" 1
422 1 35 LEU HG 1 36 LYS H . . 5.060 4.701 3.946 4.824 . 0 0 "[ . 1 . 2]" 1
423 1 35 LEU HG 1 54 PHE HB2 . . 5.360 4.644 3.611 5.434 0.074 18 0 "[ . 1 . 2]" 1
424 1 35 LEU HG 1 54 PHE QD . . 4.430 4.009 3.174 4.529 0.099 18 0 "[ . 1 . 2]" 1
425 1 35 LEU HG 1 121 ASP H . . 5.500 5.484 3.878 5.597 0.097 19 0 "[ . 1 . 2]" 1
426 1 35 LEU HG 1 122 CYS H . . 5.140 5.052 2.376 5.224 0.084 17 0 "[ . 1 . 2]" 1
427 1 35 LEU HG 1 122 CYS QB . . 5.420 4.461 2.625 5.090 . 0 0 "[ . 1 . 2]" 1
428 1 36 LYS H 1 36 LYS HB2 . . 4.140 3.041 2.719 3.893 . 0 0 "[ . 1 . 2]" 1
429 1 36 LYS H 1 36 LYS HB3 . . 4.070 3.637 3.057 3.800 . 0 0 "[ . 1 . 2]" 1
430 1 36 LYS H 1 36 LYS QE . . 4.940 4.066 3.646 4.679 . 0 0 "[ . 1 . 2]" 1
431 1 36 LYS H 1 36 LYS QG . . 3.200 2.137 1.960 2.448 . 0 0 "[ . 1 . 2]" 1
432 1 36 LYS H 1 37 THR H . . 3.760 2.475 2.112 3.017 . 0 0 "[ . 1 . 2]" 1
433 1 36 LYS H 1 120 VAL HA . . 5.090 5.006 4.290 5.179 0.089 8 0 "[ . 1 . 2]" 1
434 1 36 LYS H 1 120 VAL QG . . 5.500 4.689 3.560 5.099 . 0 0 "[ . 1 . 2]" 1
435 1 36 LYS H 1 121 ASP HA . . 3.850 2.734 2.324 3.259 . 0 0 "[ . 1 . 2]" 1
436 1 36 LYS H 1 121 ASP QB . . 5.000 3.805 3.293 4.634 . 0 0 "[ . 1 . 2]" 1
437 1 36 LYS H 1 122 CYS H . . 4.860 4.239 3.665 4.924 0.064 1 0 "[ . 1 . 2]" 1
438 1 36 LYS HA 1 36 LYS HB3 . . 2.800 2.336 2.158 2.429 . 0 0 "[ . 1 . 2]" 1
439 1 36 LYS HA 1 36 LYS QE . . 4.570 4.333 4.178 4.663 0.093 10 0 "[ . 1 . 2]" 1
440 1 36 LYS HA 1 36 LYS QG . . 3.840 3.193 2.708 3.396 . 0 0 "[ . 1 . 2]" 1
441 1 36 LYS HB2 1 37 THR H . . 4.640 2.650 2.055 4.041 . 0 0 "[ . 1 . 2]" 1
442 1 36 LYS HB3 1 37 THR H . . 4.200 3.794 3.336 4.446 0.246 10 0 "[ . 1 . 2]" 1
443 1 36 LYS QE 1 120 VAL HB . . 3.350 2.697 2.026 3.467 0.117 10 0 "[ . 1 . 2]" 1
444 1 36 LYS QE 1 120 VAL QG . . 3.340 2.553 1.664 3.333 . 0 0 "[ . 1 . 2]" 1
445 1 36 LYS QG 1 37 THR H . . 3.580 3.296 1.929 3.541 . 0 0 "[ . 1 . 2]" 1
446 1 36 LYS QG 1 120 VAL QG . . 4.520 3.351 2.348 4.175 . 0 0 "[ . 1 . 2]" 1
447 1 36 LYS QG 1 121 ASP HA . . 4.300 3.346 2.842 4.025 . 0 0 "[ . 1 . 2]" 1
448 1 37 THR H 1 121 ASP HA . . 4.570 3.599 3.138 4.227 . 0 0 "[ . 1 . 2]" 1
449 1 37 THR H 1 121 ASP QB . . 5.500 4.247 3.716 4.763 . 0 0 "[ . 1 . 2]" 1
450 1 37 THR H 1 122 CYS H . . 4.810 3.840 3.199 4.594 . 0 0 "[ . 1 . 2]" 1
451 1 37 THR HA 1 38 PRO HD2 . . 3.150 2.126 1.983 2.264 . 0 0 "[ . 1 . 2]" 1
452 1 37 THR HA 1 38 PRO HD3 . . 3.100 2.857 2.610 3.159 0.059 19 0 "[ . 1 . 2]" 1
453 1 37 THR MG 1 123 TYR H . . 5.380 4.406 2.979 5.465 0.085 6 0 "[ . 1 . 2]" 1
454 1 37 THR MG 1 123 TYR QD . . 4.160 2.907 2.293 3.751 . 0 0 "[ . 1 . 2]" 1
455 1 37 THR MG 1 123 TYR QE . . 4.780 4.119 2.862 4.858 0.078 17 0 "[ . 1 . 2]" 1
456 1 38 PRO HA 1 39 ILE H . . 3.260 2.535 2.396 2.760 . 0 0 "[ . 1 . 2]" 1
457 1 38 PRO HA 1 39 ILE MD . . 5.500 4.218 3.278 5.484 . 0 0 "[ . 1 . 2]" 1
458 1 38 PRO HA 1 54 PHE HB2 . . 4.120 3.547 2.678 4.526 0.406 8 0 "[ . 1 . 2]" 1
459 1 38 PRO HA 1 54 PHE HB3 . . 4.440 4.098 2.961 4.532 0.092 11 0 "[ . 1 . 2]" 1
460 1 38 PRO HB2 1 39 ILE H . . 4.460 2.386 2.003 2.574 . 0 0 "[ . 1 . 2]" 1
461 1 38 PRO HB2 1 51 THR HB . . 3.720 3.027 2.427 3.569 . 0 0 "[ . 1 . 2]" 1
462 1 38 PRO HB2 1 51 THR MG . . 3.850 3.229 2.122 3.928 0.078 7 0 "[ . 1 . 2]" 1
463 1 38 PRO HB3 1 39 ILE H . . 3.780 3.471 3.204 3.639 . 0 0 "[ . 1 . 2]" 1
464 1 38 PRO HG2 1 51 THR HB . . 4.310 3.504 2.025 4.627 0.317 3 0 "[ . 1 . 2]" 1
465 1 38 PRO HG2 1 51 THR MG . . 3.490 2.377 2.126 2.781 . 0 0 "[ . 1 . 2]" 1
466 1 38 PRO HG3 1 51 THR MG . . 3.080 2.710 2.197 3.403 0.323 6 0 "[ . 1 . 2]" 1
467 1 39 ILE H 1 39 ILE MD . . 4.020 2.747 1.807 3.584 . 0 0 "[ . 1 . 2]" 1
468 1 39 ILE H 1 39 ILE QG . . 3.870 2.347 1.798 2.974 . 0 0 "[ . 1 . 2]" 1
469 1 39 ILE H 1 51 THR HB . . 5.330 4.723 4.024 5.321 . 0 0 "[ . 1 . 2]" 1
470 1 39 ILE H 1 52 PHE H . . 4.180 3.477 3.062 3.943 . 0 0 "[ . 1 . 2]" 1
471 1 39 ILE H 1 52 PHE HB3 . . 5.500 5.202 4.642 5.569 0.069 6 0 "[ . 1 . 2]" 1
472 1 39 ILE H 1 54 PHE H . . 5.120 4.784 3.947 5.196 0.076 11 0 "[ . 1 . 2]" 1
473 1 39 ILE H 1 54 PHE HB3 . . 5.500 4.772 3.214 5.559 0.059 7 0 "[ . 1 . 2]" 1
474 1 39 ILE HA 1 39 ILE MG . . 3.370 2.429 2.207 2.650 . 0 0 "[ . 1 . 2]" 1
475 1 39 ILE MD 1 39 ILE MG . . 3.300 2.480 2.007 3.095 . 0 0 "[ . 1 . 2]" 1
476 1 39 ILE MD 1 52 PHE H . . 5.500 4.309 3.301 5.477 . 0 0 "[ . 1 . 2]" 1
477 1 39 ILE MD 1 54 PHE HA . . 3.920 2.586 2.051 3.514 . 0 0 "[ . 1 . 2]" 1
478 1 39 ILE MD 1 54 PHE QD . . 4.090 3.092 2.142 4.207 0.117 13 0 "[ . 1 . 2]" 1
479 1 39 ILE MD 1 55 THR H . . 4.570 4.108 3.424 4.669 0.099 5 0 "[ . 1 . 2]" 1
480 1 39 ILE MD 1 127 TYR QD . . 3.910 3.502 2.638 4.027 0.117 20 0 "[ . 1 . 2]" 1
481 1 39 ILE MD 1 127 TYR QE . . 4.620 4.302 3.264 4.719 0.099 15 0 "[ . 1 . 2]" 1
482 1 39 ILE MD 1 136 LEU QD . . 4.310 3.225 2.036 3.966 . 0 0 "[ . 1 . 2]" 1
483 1 39 ILE QG 1 54 PHE QD . . 4.340 3.043 2.236 4.291 . 0 0 "[ . 1 . 2]" 1
484 1 39 ILE MG 1 40 THR H . . 3.570 2.914 1.952 3.644 0.074 7 0 "[ . 1 . 2]" 1
485 1 39 ILE MG 1 40 THR HB . . 5.190 4.922 4.648 5.191 0.001 12 0 "[ . 1 . 2]" 1
486 1 39 ILE MG 1 41 LEU HA . . 4.420 4.368 3.872 4.526 0.106 16 0 "[ . 1 . 2]" 1
487 1 39 ILE MG 1 41 LEU HG . . 3.310 2.502 2.074 3.137 . 0 0 "[ . 1 . 2]" 1
488 1 39 ILE MG 1 52 PHE H . . 4.970 3.944 3.378 4.842 . 0 0 "[ . 1 . 2]" 1
489 1 39 ILE MG 1 52 PHE HB2 . . 4.650 2.751 2.203 3.445 . 0 0 "[ . 1 . 2]" 1
490 1 39 ILE MG 1 52 PHE QD . . 3.790 3.407 2.575 3.875 0.085 4 0 "[ . 1 . 2]" 1
491 1 39 ILE MG 1 127 TYR H . . 5.500 5.236 4.798 5.586 0.086 3 0 "[ . 1 . 2]" 1
492 1 39 ILE MG 1 127 TYR QB . . 3.370 2.167 1.965 2.316 . 0 0 "[ . 1 . 2]" 1
493 1 39 ILE MG 1 127 TYR QD . . 4.850 3.042 2.118 3.853 . 0 0 "[ . 1 . 2]" 1
494 1 40 THR H 1 40 THR HB . . 3.550 2.960 2.473 3.602 0.052 4 0 "[ . 1 . 2]" 1
495 1 40 THR H 1 41 LEU H . . 4.570 4.007 3.396 4.417 . 0 0 "[ . 1 . 2]" 1
496 1 40 THR HA 1 40 THR MG . . 2.980 2.306 2.040 2.574 . 0 0 "[ . 1 . 2]" 1
497 1 40 THR HA 1 41 LEU H . . 2.950 2.222 2.132 2.338 . 0 0 "[ . 1 . 2]" 1
498 1 40 THR HA 1 41 LEU QD . . 5.440 4.112 3.667 4.597 . 0 0 "[ . 1 . 2]" 1
499 1 40 THR HA 1 41 LEU HG . . 4.910 3.938 3.579 4.382 . 0 0 "[ . 1 . 2]" 1
500 1 40 THR HA 1 51 THR H . . 5.090 4.508 3.888 5.078 . 0 0 "[ . 1 . 2]" 1
501 1 40 THR HA 1 51 THR HA . . 3.310 2.407 2.065 3.014 . 0 0 "[ . 1 . 2]" 1
502 1 40 THR HA 1 51 THR MG . . 3.240 3.033 2.532 3.342 0.102 7 0 "[ . 1 . 2]" 1
503 1 40 THR HB 1 41 LEU H . . 4.820 4.265 3.603 4.580 . 0 0 "[ . 1 . 2]" 1
504 1 40 THR HB 1 129 TYR QD . . 3.810 3.596 2.705 3.901 0.091 6 0 "[ . 1 . 2]" 1
505 1 40 THR HB 1 129 TYR QE . . 3.860 2.811 2.232 3.933 0.073 13 0 "[ . 1 . 2]" 1
506 1 40 THR MG 1 41 LEU H . . 3.910 3.037 2.259 3.708 . 0 0 "[ . 1 . 2]" 1
507 1 40 THR MG 1 49 GLU HB2 . . 3.450 3.497 3.393 3.544 0.094 15 0 "[ . 1 . 2]" 1
508 1 40 THR MG 1 49 GLU HB3 . . 3.080 2.127 2.044 2.270 . 0 0 "[ . 1 . 2]" 1
509 1 40 THR MG 1 49 GLU HG2 . . 4.500 2.863 2.412 3.590 . 0 0 "[ . 1 . 2]" 1
510 1 40 THR MG 1 49 GLU HG3 . . 4.170 4.078 3.688 4.606 0.436 8 0 "[ . 1 . 2]" 1
511 1 40 THR MG 1 50 LYS H . . 4.000 3.441 2.564 4.100 0.100 7 0 "[ . 1 . 2]" 1
512 1 40 THR MG 1 51 THR HA . . 4.120 3.600 2.982 4.097 . 0 0 "[ . 1 . 2]" 1
513 1 40 THR MG 1 129 TYR QD . . 3.780 3.714 2.776 3.898 0.118 8 0 "[ . 1 . 2]" 1
514 1 40 THR MG 1 129 TYR QE . . 3.160 2.485 1.957 2.987 . 0 0 "[ . 1 . 2]" 1
515 1 41 LEU H 1 41 LEU HB3 . . 4.010 3.583 3.125 3.824 . 0 0 "[ . 1 . 2]" 1
516 1 41 LEU H 1 41 LEU QD . . 4.700 2.912 1.919 3.652 . 0 0 "[ . 1 . 2]" 1
517 1 41 LEU H 1 50 LYS H . . 4.520 3.108 2.730 3.643 . 0 0 "[ . 1 . 2]" 1
518 1 41 LEU H 1 50 LYS HB3 . . 5.500 5.122 4.863 5.567 0.067 16 0 "[ . 1 . 2]" 1
519 1 41 LEU H 1 51 THR HA . . 4.080 3.653 3.090 3.995 . 0 0 "[ . 1 . 2]" 1
520 1 41 LEU H 1 52 PHE QD . . 4.810 3.982 3.148 4.744 . 0 0 "[ . 1 . 2]" 1
521 1 41 LEU HA 1 42 LEU H . . 3.100 2.312 2.124 2.515 . 0 0 "[ . 1 . 2]" 1
522 1 41 LEU HA 1 131 LEU H . . 4.950 4.905 4.072 5.040 0.090 10 0 "[ . 1 . 2]" 1
523 1 41 LEU HA 1 132 PRO HA . . 4.870 4.832 4.433 4.959 0.089 9 0 "[ . 1 . 2]" 1
524 1 41 LEU HB2 1 42 LEU H . . 5.140 3.215 2.193 4.264 . 0 0 "[ . 1 . 2]" 1
525 1 41 LEU HB3 1 42 LEU H . . 3.530 3.345 2.593 3.781 0.251 18 0 "[ . 1 . 2]" 1
526 1 41 LEU QD 1 42 LEU H . . 3.860 3.554 2.949 3.829 . 0 0 "[ . 1 . 2]" 1
527 1 41 LEU QD 1 52 PHE QD . . 3.620 2.782 2.463 3.076 . 0 0 "[ . 1 . 2]" 1
528 1 41 LEU QD 1 52 PHE QE . . 3.290 2.356 2.098 2.758 . 0 0 "[ . 1 . 2]" 1
529 1 41 LEU QD 1 133 ILE H . . 4.910 3.341 2.432 4.038 . 0 0 "[ . 1 . 2]" 1
530 1 41 LEU QD 1 133 ILE HA . . 3.230 1.907 1.808 2.012 . 0 0 "[ . 1 . 2]" 1
531 1 41 LEU QD 1 133 ILE HG12 . . 4.060 3.508 2.991 4.037 . 0 0 "[ . 1 . 2]" 1
532 1 41 LEU QD 1 133 ILE HG13 . . 3.620 2.256 1.764 2.844 . 0 0 "[ . 1 . 2]" 1
533 1 41 LEU QD 1 134 GLY H . . 4.430 4.249 4.066 4.400 . 0 0 "[ . 1 . 2]" 1
534 1 41 LEU QD 1 135 GLU H . . 5.500 4.519 3.583 5.147 . 0 0 "[ . 1 . 2]" 1
535 1 41 LEU QD 1 136 LEU H . . 5.500 3.436 2.901 3.883 . 0 0 "[ . 1 . 2]" 1
536 1 41 LEU QD 1 136 LEU HA . . 4.300 3.570 3.047 4.092 . 0 0 "[ . 1 . 2]" 1
537 1 41 LEU QD 1 136 LEU QD . . 3.580 2.001 1.725 2.252 . 0 0 "[ . 1 . 2]" 1
538 1 41 LEU HG 1 52 PHE QD . . 5.500 2.942 2.327 4.035 . 0 0 "[ . 1 . 2]" 1
539 1 42 LEU H 1 42 LEU HB3 . . 3.590 3.061 2.479 3.545 . 0 0 "[ . 1 . 2]" 1
540 1 42 LEU H 1 42 LEU QD . . 3.490 3.206 2.566 3.622 0.132 13 0 "[ . 1 . 2]" 1
541 1 42 LEU H 1 42 LEU HG . . 4.430 4.434 4.128 4.515 0.085 12 0 "[ . 1 . 2]" 1
542 1 42 LEU H 1 43 ALA H . . 4.540 4.382 3.547 4.571 0.031 8 0 "[ . 1 . 2]" 1
543 1 42 LEU HA 1 42 LEU QD . . 2.800 1.998 1.877 2.134 . 0 0 "[ . 1 . 2]" 1
544 1 42 LEU HA 1 42 LEU HG . . 3.920 3.320 2.638 3.730 . 0 0 "[ . 1 . 2]" 1
545 1 42 LEU HA 1 43 ALA H . . 3.000 2.158 2.039 2.507 . 0 0 "[ . 1 . 2]" 1
546 1 42 LEU HA 1 50 LYS H . . 3.880 3.569 3.207 3.942 0.062 16 0 "[ . 1 . 2]" 1
547 1 42 LEU HB2 1 42 LEU QD . . 2.610 2.231 2.035 2.448 . 0 0 "[ . 1 . 2]" 1
548 1 42 LEU HB2 1 42 LEU HG . . 2.860 2.684 2.407 3.041 0.181 13 0 "[ . 1 . 2]" 1
549 1 42 LEU HB2 1 43 ALA H . . 5.100 4.453 4.208 4.635 . 0 0 "[ . 1 . 2]" 1
550 1 42 LEU HB3 1 42 LEU QD . . 3.240 2.295 2.196 2.538 . 0 0 "[ . 1 . 2]" 1
551 1 42 LEU HB3 1 43 ALA H . . 4.670 3.816 3.130 4.409 . 0 0 "[ . 1 . 2]" 1
552 1 42 LEU HB3 1 46 GLY HA2 . . 5.090 3.460 2.238 4.583 . 0 0 "[ . 1 . 2]" 1
553 1 42 LEU QD 1 43 ALA H . . 3.400 2.903 2.376 3.536 0.136 18 0 "[ . 1 . 2]" 1
554 1 42 LEU QD 1 43 ALA MB . . 4.520 3.710 3.234 4.492 . 0 0 "[ . 1 . 2]" 1
555 1 42 LEU QD 1 46 GLY H . . 4.920 3.457 2.739 4.101 . 0 0 "[ . 1 . 2]" 1
556 1 42 LEU QD 1 46 GLY HA2 . . 3.580 2.385 2.127 2.693 . 0 0 "[ . 1 . 2]" 1
557 1 42 LEU QD 1 46 GLY HA3 . . 3.520 3.531 3.226 3.683 0.163 18 0 "[ . 1 . 2]" 1
558 1 42 LEU QD 1 47 GLU H . . 4.650 3.295 2.668 4.159 . 0 0 "[ . 1 . 2]" 1
559 1 42 LEU QD 1 47 GLU HA . . 3.180 2.636 2.168 2.979 . 0 0 "[ . 1 . 2]" 1
560 1 42 LEU QD 1 47 GLU HB3 . . 4.440 4.439 4.058 4.810 0.370 12 0 "[ . 1 . 2]" 1
561 1 42 LEU QD 1 48 THR H . . 5.440 2.862 1.859 3.938 . 0 0 "[ . 1 . 2]" 1
562 1 42 LEU QD 1 49 GLU HA . . 3.400 2.936 2.377 3.321 . 0 0 "[ . 1 . 2]" 1
563 1 42 LEU QD 1 49 GLU HB2 . . 4.930 4.597 3.904 5.060 0.130 17 0 "[ . 1 . 2]" 1
564 1 42 LEU QD 1 49 GLU HG2 . . 3.560 3.043 2.129 3.661 0.101 13 0 "[ . 1 . 2]" 1
565 1 42 LEU QD 1 49 GLU HG3 . . 3.840 2.987 2.220 3.627 . 0 0 "[ . 1 . 2]" 1
566 1 42 LEU QD 1 50 LYS H . . 5.240 4.278 3.768 5.002 . 0 0 "[ . 1 . 2]" 1
567 1 42 LEU HG 1 46 GLY H . . 5.380 4.482 3.157 5.463 0.083 7 0 "[ . 1 . 2]" 1
568 1 42 LEU HG 1 46 GLY HA2 . . 4.370 3.043 2.286 3.996 . 0 0 "[ . 1 . 2]" 1
569 1 43 ALA H 1 43 ALA MB . . 2.790 2.203 2.060 2.677 . 0 0 "[ . 1 . 2]" 1
570 1 43 ALA H 1 45 ASP H . . 5.110 4.765 4.275 5.155 0.045 7 0 "[ . 1 . 2]" 1
571 1 43 ALA H 1 48 THR H . . 4.750 3.746 3.070 4.438 . 0 0 "[ . 1 . 2]" 1
572 1 43 ALA H 1 48 THR HB . . 3.860 3.662 3.239 3.943 0.083 18 0 "[ . 1 . 2]" 1
573 1 43 ALA H 1 48 THR MG . . 5.060 4.177 3.622 4.748 . 0 0 "[ . 1 . 2]" 1
574 1 43 ALA H 1 49 GLU HA . . 3.860 3.638 3.034 3.932 0.072 7 0 "[ . 1 . 2]" 1
575 1 43 ALA H 1 50 LYS H . . 4.570 3.553 2.718 4.154 . 0 0 "[ . 1 . 2]" 1
576 1 43 ALA H 1 133 ILE MD . . 5.050 4.362 3.553 4.846 . 0 0 "[ . 1 . 2]" 1
577 1 43 ALA HA 1 44 ASP H . . 2.760 2.517 2.351 2.825 0.065 18 0 "[ . 1 . 2]" 1
578 1 43 ALA HA 1 50 LYS HG3 . . 4.870 3.926 3.238 4.721 . 0 0 "[ . 1 . 2]" 1
579 1 43 ALA HA 1 133 ILE H . . 4.890 3.796 3.103 4.333 . 0 0 "[ . 1 . 2]" 1
580 1 43 ALA HA 1 133 ILE HB . . 3.920 2.438 2.192 2.857 . 0 0 "[ . 1 . 2]" 1
581 1 43 ALA HA 1 133 ILE MD . . 3.140 2.502 1.988 2.956 . 0 0 "[ . 1 . 2]" 1
582 1 43 ALA HA 1 133 ILE HG12 . . 4.770 4.609 3.973 4.860 0.090 9 0 "[ . 1 . 2]" 1
583 1 43 ALA HA 1 133 ILE MG . . 3.280 2.538 1.945 3.360 0.080 12 0 "[ . 1 . 2]" 1
584 1 43 ALA MB 1 44 ASP H . . 2.910 2.210 1.994 2.461 . 0 0 "[ . 1 . 2]" 1
585 1 43 ALA MB 1 44 ASP HA . . 5.020 4.290 4.168 4.377 . 0 0 "[ . 1 . 2]" 1
586 1 43 ALA MB 1 44 ASP QB . . 4.180 3.695 3.326 4.068 . 0 0 "[ . 1 . 2]" 1
587 1 43 ALA MB 1 45 ASP H . . 3.310 2.464 2.054 3.201 . 0 0 "[ . 1 . 2]" 1
588 1 43 ALA MB 1 45 ASP HB2 . . 3.930 2.930 2.334 3.798 . 0 0 "[ . 1 . 2]" 1
589 1 43 ALA MB 1 45 ASP HB3 . . 5.080 3.850 2.495 5.158 0.078 11 0 "[ . 1 . 2]" 1
590 1 43 ALA MB 1 46 GLY H . . 4.400 3.210 2.424 4.146 . 0 0 "[ . 1 . 2]" 1
591 1 43 ALA MB 1 48 THR H . . 3.870 3.130 2.672 3.954 0.084 16 0 "[ . 1 . 2]" 1
592 1 43 ALA MB 1 48 THR HA . . 4.610 4.263 4.088 4.557 . 0 0 "[ . 1 . 2]" 1
593 1 43 ALA MB 1 48 THR HB . . 2.910 2.060 1.891 2.338 . 0 0 "[ . 1 . 2]" 1
594 1 43 ALA MB 1 48 THR MG . . 3.270 2.776 2.191 3.378 0.108 12 0 "[ . 1 . 2]" 1
595 1 43 ALA MB 1 49 GLU H . . 4.780 4.868 4.790 4.893 0.113 12 0 "[ . 1 . 2]" 1
596 1 43 ALA MB 1 50 LYS QE . . 3.760 2.364 1.832 3.836 0.076 12 0 "[ . 1 . 2]" 1
597 1 43 ALA MB 1 50 LYS HG3 . . 3.120 2.169 1.942 2.779 . 0 0 "[ . 1 . 2]" 1
598 1 43 ALA MB 1 133 ILE MD . . 3.410 3.068 2.483 3.511 0.101 20 0 "[ . 1 . 2]" 1
599 1 44 ASP H 1 44 ASP QB . . 2.890 2.241 2.007 2.646 . 0 0 "[ . 1 . 2]" 1
600 1 44 ASP H 1 45 ASP H . . 3.380 2.686 2.299 3.134 . 0 0 "[ . 1 . 2]" 1
601 1 44 ASP H 1 50 LYS HG3 . . 5.500 5.421 4.853 5.587 0.087 9 0 "[ . 1 . 2]" 1
602 1 44 ASP H 1 133 ILE MD . . 4.100 3.466 2.776 4.054 . 0 0 "[ . 1 . 2]" 1
603 1 44 ASP H 1 133 ILE MG . . 3.870 2.525 2.012 3.215 . 0 0 "[ . 1 . 2]" 1
604 1 44 ASP HA 1 44 ASP QB . . 2.570 2.444 2.170 2.571 0.001 9 0 "[ . 1 . 2]" 1
605 1 44 ASP HA 1 133 ILE MG . . 4.110 3.192 2.450 4.174 0.064 10 0 "[ . 1 . 2]" 1
606 1 44 ASP QB 1 133 ILE MG . . 4.540 3.099 2.055 4.586 0.046 11 0 "[ . 1 . 2]" 1
607 1 45 ASP H 1 45 ASP HB2 . . 3.200 2.301 1.973 2.806 . 0 0 "[ . 1 . 2]" 1
608 1 45 ASP H 1 45 ASP HB3 . . 3.750 3.285 2.448 3.633 . 0 0 "[ . 1 . 2]" 1
609 1 45 ASP H 1 46 GLY H . . 3.230 2.621 2.024 2.753 . 0 0 "[ . 1 . 2]" 1
610 1 45 ASP H 1 46 GLY HA2 . . 4.940 4.838 4.046 5.001 0.061 13 0 "[ . 1 . 2]" 1
611 1 45 ASP H 1 46 GLY HA3 . . 5.260 5.218 4.502 5.340 0.080 11 0 "[ . 1 . 2]" 1
612 1 45 ASP H 1 47 GLU H . . 4.560 4.391 3.950 4.627 0.067 13 0 "[ . 1 . 2]" 1
613 1 45 ASP H 1 133 ILE MG . . 5.500 4.694 4.012 5.566 0.066 11 0 "[ . 1 . 2]" 1
614 1 45 ASP HA 1 45 ASP HB2 . . 2.810 2.820 2.486 2.911 0.101 13 0 "[ . 1 . 2]" 1
615 1 45 ASP HA 1 45 ASP HB3 . . 2.820 2.691 2.299 2.919 0.099 19 0 "[ . 1 . 2]" 1
616 1 45 ASP HA 1 47 GLU H . . 4.750 4.430 4.049 4.820 0.070 12 0 "[ . 1 . 2]" 1
617 1 45 ASP HB2 1 46 GLY H . . 4.750 3.440 2.814 4.162 . 0 0 "[ . 1 . 2]" 1
618 1 45 ASP HB2 1 47 GLU H . . 5.160 3.528 2.567 4.557 . 0 0 "[ . 1 . 2]" 1
619 1 45 ASP HB3 1 46 GLY H . . 5.120 3.548 2.266 4.204 . 0 0 "[ . 1 . 2]" 1
620 1 45 ASP HB3 1 47 GLU H . . 5.500 2.887 2.334 3.602 . 0 0 "[ . 1 . 2]" 1
621 1 46 GLY H 1 47 GLU H . . 3.250 2.838 2.124 3.197 . 0 0 "[ . 1 . 2]" 1
622 1 46 GLY H 1 48 THR H . . 4.310 3.778 2.668 4.370 0.060 6 0 "[ . 1 . 2]" 1
623 1 47 GLU H 1 47 GLU HB2 . . 3.690 3.186 2.321 3.780 0.090 15 0 "[ . 1 . 2]" 1
624 1 47 GLU H 1 47 GLU HB3 . . 3.430 3.338 2.163 3.764 0.334 13 0 "[ . 1 . 2]" 1
625 1 47 GLU H 1 47 GLU HG2 . . 3.840 3.159 2.217 4.166 0.326 13 0 "[ . 1 . 2]" 1
626 1 47 GLU H 1 47 GLU HG3 . . 4.090 3.175 2.149 4.189 0.099 7 0 "[ . 1 . 2]" 1
627 1 47 GLU H 1 48 THR H . . 2.870 2.260 1.820 2.938 0.068 13 0 "[ . 1 . 2]" 1
628 1 47 GLU H 1 48 THR MG . . 5.310 5.291 5.081 5.418 0.108 12 0 "[ . 1 . 2]" 1
629 1 47 GLU HA 1 47 GLU HB2 . . 2.960 2.676 2.354 3.039 0.079 18 0 "[ . 1 . 2]" 1
630 1 47 GLU HA 1 47 GLU HG2 . . 3.630 3.207 2.262 3.868 0.238 14 0 "[ . 1 . 2]" 1
631 1 47 GLU HA 1 47 GLU HG3 . . 3.810 3.427 2.423 3.819 0.009 15 0 "[ . 1 . 2]" 1
632 1 47 GLU HA 1 48 THR HA . . 4.700 4.568 4.148 4.771 0.071 16 0 "[ . 1 . 2]" 1
633 1 47 GLU HA 1 49 GLU H . . 5.500 5.298 4.942 5.572 0.072 7 0 "[ . 1 . 2]" 1
634 1 47 GLU HB2 1 48 THR H . . 4.420 3.901 2.264 4.492 0.072 16 0 "[ . 1 . 2]" 1
635 1 47 GLU HB3 1 47 GLU HG2 . . 3.000 2.501 2.232 3.052 0.052 19 0 "[ . 1 . 2]" 1
636 1 47 GLU HB3 1 48 THR H . . 4.610 4.153 2.564 4.662 0.052 20 0 "[ . 1 . 2]" 1
637 1 47 GLU HG2 1 48 THR H . . 5.300 4.421 3.064 5.245 . 0 0 "[ . 1 . 2]" 1
638 1 48 THR H 1 48 THR HB . . 3.460 2.684 2.391 3.240 . 0 0 "[ . 1 . 2]" 1
639 1 48 THR H 1 48 THR MG . . 4.560 3.828 3.672 4.055 . 0 0 "[ . 1 . 2]" 1
640 1 48 THR H 1 49 GLU H . . 4.580 4.127 3.628 4.531 . 0 0 "[ . 1 . 2]" 1
641 1 48 THR HA 1 48 THR MG . . 3.110 2.401 2.240 2.602 . 0 0 "[ . 1 . 2]" 1
642 1 48 THR HA 1 49 GLU H . . 2.590 2.136 2.043 2.223 . 0 0 "[ . 1 . 2]" 1
643 1 48 THR MG 1 49 GLU H . . 3.280 3.195 2.875 3.368 0.088 4 0 "[ . 1 . 2]" 1
644 1 48 THR MG 1 50 LYS QE . . 4.000 3.462 2.367 3.968 . 0 0 "[ . 1 . 2]" 1
645 1 48 THR MG 1 50 LYS HG2 . . 2.400 2.361 2.037 2.487 0.087 11 0 "[ . 1 . 2]" 1
646 1 48 THR MG 1 50 LYS HG3 . . 2.400 2.410 2.189 2.508 0.108 15 0 "[ . 1 . 2]" 1
647 1 49 GLU H 1 49 GLU HB2 . . 3.220 2.326 2.220 2.453 . 0 0 "[ . 1 . 2]" 1
648 1 49 GLU H 1 49 GLU HB3 . . 3.520 3.547 3.478 3.595 0.075 2 0 "[ . 1 . 2]" 1
649 1 49 GLU H 1 49 GLU HG2 . . 3.990 3.809 3.603 4.057 0.067 4 0 "[ . 1 . 2]" 1
650 1 49 GLU H 1 49 GLU HG3 . . 3.600 2.530 2.206 2.823 . 0 0 "[ . 1 . 2]" 1
651 1 49 GLU H 1 50 LYS H . . 4.610 4.392 4.019 4.658 0.048 10 0 "[ . 1 . 2]" 1
652 1 49 GLU HA 1 49 GLU HG2 . . 3.730 2.723 2.512 3.143 . 0 0 "[ . 1 . 2]" 1
653 1 49 GLU HA 1 49 GLU HG3 . . 3.550 2.878 2.539 3.205 . 0 0 "[ . 1 . 2]" 1
654 1 49 GLU HA 1 50 LYS H . . 3.030 2.271 2.164 2.357 . 0 0 "[ . 1 . 2]" 1
655 1 49 GLU HB2 1 50 LYS H . . 4.440 4.418 4.137 4.515 0.075 20 0 "[ . 1 . 2]" 1
656 1 49 GLU HB3 1 49 GLU HG2 . . 2.950 2.388 2.230 2.536 . 0 0 "[ . 1 . 2]" 1
657 1 49 GLU HB3 1 50 LYS H . . 4.020 3.717 3.134 4.093 0.073 18 0 "[ . 1 . 2]" 1
658 1 49 GLU HG2 1 50 LYS H . . 5.010 4.739 4.019 5.062 0.052 3 0 "[ . 1 . 2]" 1
659 1 49 GLU HG2 1 129 TYR QE . . 3.890 3.182 2.149 3.980 0.090 4 0 "[ . 1 . 2]" 1
660 1 49 GLU HG3 1 50 LYS H . . 5.270 5.053 4.697 5.327 0.057 1 0 "[ . 1 . 2]" 1
661 1 50 LYS H 1 50 LYS HB2 . . 3.460 2.671 2.380 2.881 . 0 0 "[ . 1 . 2]" 1
662 1 50 LYS H 1 50 LYS HG3 . . 4.280 3.267 2.684 4.240 . 0 0 "[ . 1 . 2]" 1
663 1 50 LYS H 1 51 THR H . . 4.490 4.394 4.248 4.560 0.070 18 0 "[ . 1 . 2]" 1
664 1 50 LYS HA 1 50 LYS HG2 . . 3.750 2.370 2.107 2.726 . 0 0 "[ . 1 . 2]" 1
665 1 50 LYS HA 1 50 LYS HG3 . . 3.760 3.331 3.146 3.721 . 0 0 "[ . 1 . 2]" 1
666 1 50 LYS HA 1 51 THR H . . 2.930 2.164 2.043 2.247 . 0 0 "[ . 1 . 2]" 1
667 1 50 LYS HA 1 51 THR HA . . 4.410 4.373 4.278 4.448 0.038 20 0 "[ . 1 . 2]" 1
668 1 50 LYS HB2 1 51 THR H . . 4.420 4.244 3.918 4.439 0.019 7 0 "[ . 1 . 2]" 1
669 1 50 LYS HB2 1 52 PHE QE . . 4.640 3.354 2.442 4.704 0.064 7 0 "[ . 1 . 2]" 1
670 1 50 LYS HB2 1 133 ILE MD . . 4.180 2.708 2.062 3.544 . 0 0 "[ . 1 . 2]" 1
671 1 50 LYS HB3 1 51 THR H . . 3.420 3.254 2.817 3.495 0.075 12 0 "[ . 1 . 2]" 1
672 1 50 LYS HB3 1 52 PHE QE . . 4.310 3.665 3.154 4.394 0.084 17 0 "[ . 1 . 2]" 1
673 1 50 LYS QD 1 50 LYS HG3 . . 2.720 2.436 2.101 2.578 . 0 0 "[ . 1 . 2]" 1
674 1 50 LYS QE 1 50 LYS HG3 . . 3.800 2.419 1.949 3.538 . 0 0 "[ . 1 . 2]" 1
675 1 50 LYS QE 1 52 PHE QE . . 4.810 4.275 3.335 4.919 0.109 18 0 "[ . 1 . 2]" 1
676 1 50 LYS QE 1 133 ILE MD . . 5.070 2.327 1.750 3.737 . 0 0 "[ . 1 . 2]" 1
677 1 50 LYS HG3 1 133 ILE MD . . 3.980 3.590 2.659 4.081 0.101 4 0 "[ . 1 . 2]" 1
678 1 51 THR H 1 51 THR HB . . 3.970 3.554 3.204 3.661 . 0 0 "[ . 1 . 2]" 1
679 1 51 THR H 1 51 THR MG . . 3.310 2.658 2.052 3.254 . 0 0 "[ . 1 . 2]" 1
680 1 51 THR H 1 52 PHE H . . 4.900 4.565 4.347 4.665 . 0 0 "[ . 1 . 2]" 1
681 1 51 THR H 1 52 PHE QD . . 5.440 4.835 4.271 5.501 0.061 7 0 "[ . 1 . 2]" 1
682 1 51 THR HA 1 51 THR MG . . 3.060 2.291 2.032 3.127 0.067 7 0 "[ . 1 . 2]" 1
683 1 51 THR HA 1 52 PHE H . . 3.020 2.385 2.083 2.514 . 0 0 "[ . 1 . 2]" 1
684 1 51 THR HA 1 52 PHE QD . . 3.960 3.632 3.000 4.043 0.083 4 0 "[ . 1 . 2]" 1
685 1 51 THR HB 1 52 PHE H . . 3.650 2.628 2.158 3.587 . 0 0 "[ . 1 . 2]" 1
686 1 51 THR MG 1 52 PHE H . . 3.550 3.520 2.857 3.658 0.108 7 0 "[ . 1 . 2]" 1
687 1 52 PHE H 1 52 PHE HB2 . . 4.080 2.654 2.388 2.883 . 0 0 "[ . 1 . 2]" 1
688 1 52 PHE H 1 52 PHE QD . . 3.930 3.506 2.958 4.011 0.081 7 0 "[ . 1 . 2]" 1
689 1 52 PHE HA 1 52 PHE QD . . 3.600 2.939 2.409 3.152 . 0 0 "[ . 1 . 2]" 1
690 1 52 PHE HA 1 53 PRO HA . . 4.470 4.407 4.259 4.522 0.052 6 0 "[ . 1 . 2]" 1
691 1 52 PHE HA 1 53 PRO HD2 . . 2.890 2.546 2.301 2.835 . 0 0 "[ . 1 . 2]" 1
692 1 52 PHE HA 1 53 PRO HD3 . . 3.270 2.494 2.196 2.685 . 0 0 "[ . 1 . 2]" 1
693 1 52 PHE HB3 1 53 PRO HD3 . . 4.210 3.700 3.386 4.021 . 0 0 "[ . 1 . 2]" 1
694 1 52 PHE HB3 1 136 LEU QD . . 4.760 3.238 2.481 3.938 . 0 0 "[ . 1 . 2]" 1
695 1 52 PHE QD 1 53 PRO HD3 . . 4.820 3.762 3.366 4.324 . 0 0 "[ . 1 . 2]" 1
696 1 52 PHE QD 1 136 LEU QD . . 3.300 2.776 2.047 3.302 0.002 3 0 "[ . 1 . 2]" 1
697 1 52 PHE QE 1 133 ILE MD . . 3.040 2.415 1.926 3.085 0.045 12 0 "[ . 1 . 2]" 1
698 1 52 PHE QE 1 133 ILE HG12 . . 3.710 3.651 3.205 3.805 0.095 15 0 "[ . 1 . 2]" 1
699 1 52 PHE QE 1 133 ILE HG13 . . 4.520 2.449 2.101 3.221 . 0 0 "[ . 1 . 2]" 1
700 1 52 PHE QE 1 136 LEU QD . . 3.610 3.057 2.262 3.687 0.077 11 0 "[ . 1 . 2]" 1
701 1 53 PRO HA 1 54 PHE H . . 3.160 2.181 2.076 2.297 . 0 0 "[ . 1 . 2]" 1
702 1 53 PRO HB2 1 54 PHE H . . 4.220 3.526 2.928 3.977 . 0 0 "[ . 1 . 2]" 1
703 1 53 PRO HB2 1 54 PHE HA . . 5.010 4.663 4.080 5.082 0.072 15 0 "[ . 1 . 2]" 1
704 1 53 PRO HB2 1 55 THR H . . 4.640 4.305 2.845 4.724 0.084 7 0 "[ . 1 . 2]" 1
705 1 53 PRO HB2 1 55 THR MG . . 2.920 2.428 2.116 2.992 0.072 10 0 "[ . 1 . 2]" 1
706 1 53 PRO HB3 1 54 PHE H . . 4.210 3.970 3.543 4.258 0.048 19 0 "[ . 1 . 2]" 1
707 1 53 PRO HG2 1 55 THR MG . . 5.280 3.547 2.432 4.347 . 0 0 "[ . 1 . 2]" 1
708 1 53 PRO HG3 1 55 THR MG . . 4.290 4.241 3.390 5.077 0.787 5 2 "[ +- 1 . 2]" 1
709 1 54 PHE H 1 54 PHE HB2 . . 4.090 2.801 2.238 3.557 . 0 0 "[ . 1 . 2]" 1
710 1 54 PHE H 1 54 PHE HB3 . . 4.030 2.748 2.176 3.057 . 0 0 "[ . 1 . 2]" 1
711 1 54 PHE H 1 54 PHE QD . . 5.360 3.848 2.555 4.324 . 0 0 "[ . 1 . 2]" 1
712 1 54 PHE H 1 55 THR H . . 5.330 4.127 3.193 4.503 . 0 0 "[ . 1 . 2]" 1
713 1 54 PHE H 1 55 THR MG . . 5.500 4.077 3.466 4.838 . 0 0 "[ . 1 . 2]" 1
714 1 54 PHE HA 1 54 PHE QD . . 3.860 3.117 2.354 3.753 . 0 0 "[ . 1 . 2]" 1
715 1 54 PHE HA 1 55 THR H . . 3.350 2.321 2.089 2.754 . 0 0 "[ . 1 . 2]" 1
716 1 54 PHE HB3 1 55 THR H . . 4.960 4.356 3.652 4.723 . 0 0 "[ . 1 . 2]" 1
717 1 54 PHE QD 1 55 THR H . . 4.280 3.627 2.526 4.372 0.092 15 0 "[ . 1 . 2]" 1
718 1 55 THR H 1 55 THR MG . . 3.870 2.760 2.162 3.288 . 0 0 "[ . 1 . 2]" 1
719 1 55 THR H 1 56 LYS H . . 4.930 4.501 4.207 4.716 . 0 0 "[ . 1 . 2]" 1
720 1 55 THR HA 1 55 THR MG . . 3.150 2.423 2.201 3.247 0.097 18 0 "[ . 1 . 2]" 1
721 1 55 THR HA 1 56 LYS HA . . 4.520 4.331 4.149 4.490 . 0 0 "[ . 1 . 2]" 1
722 1 55 THR HB 1 56 LYS H . . 3.390 2.534 2.084 3.479 0.089 1 0 "[ . 1 . 2]" 1
723 1 56 LYS H 1 56 LYS HB2 . . 3.460 2.643 2.060 3.554 0.094 2 0 "[ . 1 . 2]" 1
724 1 56 LYS H 1 56 LYS HB3 . . 3.370 3.202 2.285 3.548 0.178 18 0 "[ . 1 . 2]" 1
725 1 56 LYS H 1 57 GLU H . . 4.100 2.817 2.355 3.082 . 0 0 "[ . 1 . 2]" 1
726 1 56 LYS HA 1 59 TRP H . . 4.650 4.012 3.047 4.699 0.049 10 0 "[ . 1 . 2]" 1
727 1 56 LYS HA 1 59 TRP HB2 . . 4.190 2.673 2.232 3.442 . 0 0 "[ . 1 . 2]" 1
728 1 56 LYS HB3 1 57 GLU H . . 4.020 3.851 3.447 4.203 0.183 11 0 "[ . 1 . 2]" 1
729 1 57 GLU H 1 57 GLU QB . . 3.360 2.239 1.962 2.941 . 0 0 "[ . 1 . 2]" 1
730 1 57 GLU H 1 58 LYS H . . 3.540 2.749 2.464 3.033 . 0 0 "[ . 1 . 2]" 1
731 1 57 GLU H 1 59 TRP H . . 4.750 4.583 4.050 4.832 0.082 12 0 "[ . 1 . 2]" 1
732 1 57 GLU QB 1 58 LYS H . . 3.590 2.624 2.155 3.062 . 0 0 "[ . 1 . 2]" 1
733 1 57 GLU QB 1 58 LYS QG . . 3.690 3.099 2.276 3.613 . 0 0 "[ . 1 . 2]" 1
734 1 57 GLU QB 1 59 TRP H . . 4.940 4.604 4.378 4.804 . 0 0 "[ . 1 . 2]" 1
735 1 57 GLU QG 1 58 LYS H . . 4.970 4.141 3.347 4.672 . 0 0 "[ . 1 . 2]" 1
736 1 57 GLU QG 1 140 ILE MD . . 5.500 3.921 2.319 5.564 0.064 7 0 "[ . 1 . 2]" 1
737 1 57 GLU QG 1 140 ILE MG . . 4.550 3.088 2.023 4.464 . 0 0 "[ . 1 . 2]" 1
738 1 58 LYS H 1 58 LYS QB . . 3.890 2.682 2.318 3.208 . 0 0 "[ . 1 . 2]" 1
739 1 58 LYS H 1 59 TRP H . . 3.360 2.894 2.238 3.424 0.064 6 0 "[ . 1 . 2]" 1
740 1 58 LYS H 1 59 TRP QB . . 4.530 4.026 3.658 4.481 . 0 0 "[ . 1 . 2]" 1
741 1 58 LYS H 1 140 ILE MD . . 5.420 5.149 4.127 5.514 0.094 11 0 "[ . 1 . 2]" 1
742 1 58 LYS HA 1 58 LYS HD3 . . 4.530 4.486 3.965 4.677 0.147 17 0 "[ . 1 . 2]" 1
743 1 58 LYS HA 1 140 ILE MD . . 5.170 4.781 4.066 5.260 0.090 7 0 "[ . 1 . 2]" 1
744 1 58 LYS HA 1 140 ILE MG . . 4.280 3.432 2.392 4.384 0.104 17 0 "[ . 1 . 2]" 1
745 1 58 LYS QB 1 58 LYS HD2 . . 3.350 2.655 2.162 3.230 . 0 0 "[ . 1 . 2]" 1
746 1 58 LYS QB 1 59 TRP H . . 5.290 3.774 2.038 4.083 . 0 0 "[ . 1 . 2]" 1
747 1 58 LYS QB 1 59 TRP HA . . 4.920 4.416 3.884 4.768 . 0 0 "[ . 1 . 2]" 1
748 1 58 LYS QE 1 58 LYS QG . . 2.880 2.166 2.018 2.493 . 0 0 "[ . 1 . 2]" 1
749 1 59 TRP H 1 59 TRP QB . . 3.250 2.469 2.303 2.697 . 0 0 "[ . 1 . 2]" 1
750 1 59 TRP HA 1 59 TRP HE3 . . 4.340 3.094 2.756 3.372 . 0 0 "[ . 1 . 2]" 1
751 1 59 TRP HA 1 60 PRO QD . . 3.730 2.073 1.953 2.203 . 0 0 "[ . 1 . 2]" 1
752 1 59 TRP QB 1 59 TRP HD1 . . 3.300 2.628 2.533 2.737 . 0 0 "[ . 1 . 2]" 1
753 1 59 TRP HD1 1 61 LEU H . . 5.500 4.430 3.746 5.132 . 0 0 "[ . 1 . 2]" 1
754 1 59 TRP HD1 1 61 LEU HA . . 4.540 3.520 2.825 4.613 0.073 15 0 "[ . 1 . 2]" 1
755 1 59 TRP HD1 1 61 LEU QD . . 3.070 2.519 2.082 3.144 0.074 15 0 "[ . 1 . 2]" 1
756 1 59 TRP HE1 1 61 LEU H . . 5.500 5.416 4.994 5.587 0.087 15 0 "[ . 1 . 2]" 1
757 1 59 TRP HE1 1 61 LEU HA . . 3.760 3.124 2.571 3.841 0.081 15 0 "[ . 1 . 2]" 1
758 1 59 TRP HE1 1 61 LEU QD . . 3.550 2.816 2.290 3.479 . 0 0 "[ . 1 . 2]" 1
759 1 59 TRP HE1 1 62 LEU H . . 4.520 3.861 3.170 4.587 0.067 15 0 "[ . 1 . 2]" 1
760 1 59 TRP HE3 1 60 PRO QD . . 4.570 4.409 3.993 4.631 0.061 8 0 "[ . 1 . 2]" 1
761 1 59 TRP HZ2 1 119 VAL QG . . 3.800 3.038 2.562 3.553 . 0 0 "[ . 1 . 2]" 1
762 1 59 TRP HZ3 1 119 VAL QG . . 3.360 3.264 2.953 3.412 0.052 19 0 "[ . 1 . 2]" 1
763 1 60 PRO HA 1 61 LEU H . . 3.130 2.195 2.089 2.355 . 0 0 "[ . 1 . 2]" 1
764 1 60 PRO HA 1 61 LEU QD . . 5.290 4.200 3.514 4.646 . 0 0 "[ . 1 . 2]" 1
765 1 60 PRO HA 1 126 TRP HE1 . . 5.500 5.317 4.714 5.566 0.066 3 0 "[ . 1 . 2]" 1
766 1 60 PRO HA 1 143 VAL MG1 . . 3.100 2.311 2.052 2.535 . 0 0 "[ . 1 . 2]" 1
767 1 60 PRO HA 1 143 VAL MG2 . . 4.990 4.244 3.828 4.897 . 0 0 "[ . 1 . 2]" 1
768 1 60 PRO HA 1 147 ASN HD21 . . 4.100 3.684 2.370 4.164 0.064 11 0 "[ . 1 . 2]" 1
769 1 60 PRO HA 1 147 ASN HD22 . . 4.170 2.545 1.963 4.162 . 0 0 "[ . 1 . 2]" 1
770 1 60 PRO QB 1 143 VAL MG1 . . 4.440 2.200 1.879 2.472 . 0 0 "[ . 1 . 2]" 1
771 1 60 PRO HB2 1 126 TRP HE1 . . 4.320 3.752 2.939 4.402 0.082 4 0 "[ . 1 . 2]" 1
772 1 60 PRO QD 1 124 THR MG . . 4.590 3.378 2.892 3.948 . 0 0 "[ . 1 . 2]" 1
773 1 60 PRO QD 1 127 TYR QE . . 5.500 2.281 1.982 3.101 . 0 0 "[ . 1 . 2]" 1
774 1 60 PRO QD 1 143 VAL MG1 . . 5.490 2.645 2.169 3.382 . 0 0 "[ . 1 . 2]" 1
775 1 60 PRO QD 1 143 VAL MG2 . . 5.500 3.553 2.696 4.283 . 0 0 "[ . 1 . 2]" 1
776 1 60 PRO QD 1 147 ASN HD22 . . 5.340 4.720 4.086 5.847 0.507 9 1 "[ . +1 . 2]" 1
777 1 60 PRO HG2 1 143 VAL MG1 . . 4.420 4.297 3.626 4.582 0.162 1 0 "[ . 1 . 2]" 1
778 1 60 PRO HG2 1 143 VAL MG2 . . 4.990 4.936 4.173 5.286 0.296 14 0 "[ . 1 . 2]" 1
779 1 60 PRO HG3 1 124 THR MG . . 3.750 2.481 2.099 3.477 . 0 0 "[ . 1 . 2]" 1
780 1 60 PRO HG3 1 126 TRP HD1 . . 3.550 2.593 2.117 3.220 . 0 0 "[ . 1 . 2]" 1
781 1 60 PRO HG3 1 126 TRP HE1 . . 5.420 4.333 3.682 5.081 . 0 0 "[ . 1 . 2]" 1
782 1 60 PRO HG3 1 127 TYR QE . . 3.500 3.077 2.156 3.581 0.081 11 0 "[ . 1 . 2]" 1
783 1 60 PRO HG3 1 143 VAL MG1 . . 5.340 3.491 2.172 3.921 . 0 0 "[ . 1 . 2]" 1
784 1 61 LEU H 1 61 LEU HB2 . . 3.590 2.262 2.108 2.464 . 0 0 "[ . 1 . 2]" 1
785 1 61 LEU H 1 61 LEU HB3 . . 4.060 3.529 3.404 3.637 . 0 0 "[ . 1 . 2]" 1
786 1 61 LEU H 1 61 LEU QD . . 4.010 3.004 2.411 3.367 . 0 0 "[ . 1 . 2]" 1
787 1 61 LEU H 1 61 LEU HG . . 4.150 3.203 2.284 4.235 0.085 18 0 "[ . 1 . 2]" 1
788 1 61 LEU H 1 143 VAL MG1 . . 4.070 3.910 3.625 4.120 0.050 1 0 "[ . 1 . 2]" 1
789 1 61 LEU H 1 147 ASN H . . 5.350 4.793 4.460 5.175 . 0 0 "[ . 1 . 2]" 1
790 1 61 LEU H 1 147 ASN HD21 . . 4.280 4.068 2.862 4.363 0.083 17 0 "[ . 1 . 2]" 1
791 1 61 LEU H 1 147 ASN HD22 . . 4.690 3.298 2.528 4.364 . 0 0 "[ . 1 . 2]" 1
792 1 61 LEU HA 1 61 LEU QD . . 3.230 2.135 2.064 2.290 . 0 0 "[ . 1 . 2]" 1
793 1 61 LEU HA 1 61 LEU HG . . 4.110 2.827 2.512 3.302 . 0 0 "[ . 1 . 2]" 1
794 1 61 LEU HA 1 62 LEU H . . 3.230 2.182 2.061 2.406 . 0 0 "[ . 1 . 2]" 1
795 1 61 LEU HA 1 62 LEU HB3 . . 5.500 5.629 5.344 5.835 0.335 18 0 "[ . 1 . 2]" 1
796 1 61 LEU HB3 1 62 LEU H . . 4.820 3.466 2.470 4.049 . 0 0 "[ . 1 . 2]" 1
797 1 61 LEU HB3 1 150 PHE QD . . 4.130 3.112 2.307 3.835 . 0 0 "[ . 1 . 2]" 1
798 1 61 LEU QD 1 62 LEU H . . 3.910 3.603 3.247 3.899 . 0 0 "[ . 1 . 2]" 1
799 1 61 LEU QD 1 62 LEU QD . . 5.500 4.655 3.818 5.108 . 0 0 "[ . 1 . 2]" 1
800 1 61 LEU QD 1 147 ASN H . . 5.500 4.640 4.302 5.166 . 0 0 "[ . 1 . 2]" 1
801 1 61 LEU QD 1 147 ASN HA . . 3.490 2.613 2.165 3.535 0.045 9 0 "[ . 1 . 2]" 1
802 1 61 LEU QD 1 147 ASN QB . . 3.600 2.329 2.104 2.653 . 0 0 "[ . 1 . 2]" 1
803 1 61 LEU QD 1 147 ASN HD22 . . 5.500 3.669 2.587 4.506 . 0 0 "[ . 1 . 2]" 1
804 1 61 LEU QD 1 148 ALA H . . 5.500 4.741 4.485 5.127 . 0 0 "[ . 1 . 2]" 1
805 1 61 LEU QD 1 150 PHE H . . 4.820 4.384 3.990 4.821 0.001 6 0 "[ . 1 . 2]" 1
806 1 61 LEU QD 1 150 PHE HB3 . . 4.610 2.589 2.168 3.401 . 0 0 "[ . 1 . 2]" 1
807 1 61 LEU QD 1 150 PHE QD . . 2.770 2.252 1.927 2.532 . 0 0 "[ . 1 . 2]" 1
808 1 61 LEU QD 1 150 PHE QE . . 3.820 3.267 2.214 3.788 . 0 0 "[ . 1 . 2]" 1
809 1 61 LEU QD 1 151 LYS H . . 4.980 3.166 2.907 3.340 . 0 0 "[ . 1 . 2]" 1
810 1 61 LEU QD 1 151 LYS HA . . 4.310 3.738 3.423 3.960 . 0 0 "[ . 1 . 2]" 1
811 1 61 LEU QD 1 151 LYS QE . . 3.680 2.722 1.896 3.610 . 0 0 "[ . 1 . 2]" 1
812 1 62 LEU H 1 62 LEU HB3 . . 3.590 3.583 3.261 3.905 0.315 16 0 "[ . 1 . 2]" 1
813 1 62 LEU H 1 62 LEU QD . . 4.230 2.912 1.945 3.599 . 0 0 "[ . 1 . 2]" 1
814 1 62 LEU H 1 62 LEU HG . . 4.700 3.504 2.087 4.492 . 0 0 "[ . 1 . 2]" 1
815 1 62 LEU HA 1 62 LEU QD . . 3.000 2.193 1.940 2.547 . 0 0 "[ . 1 . 2]" 1
816 1 62 LEU HA 1 63 ASP H . . 3.000 2.351 2.025 2.649 . 0 0 "[ . 1 . 2]" 1
817 1 62 LEU HB2 1 63 ASP H . . 4.820 3.831 3.132 4.408 . 0 0 "[ . 1 . 2]" 1
818 1 62 LEU HB3 1 63 ASP H . . 4.220 2.746 1.950 3.526 . 0 0 "[ . 1 . 2]" 1
819 1 62 LEU QD 1 63 ASP H . . 4.270 3.387 2.204 4.087 . 0 0 "[ . 1 . 2]" 1
820 1 62 LEU QD 1 105 LEU QD . . 3.470 2.461 1.920 2.937 . 0 0 "[ . 1 . 2]" 1
821 1 63 ASP H 1 64 SER H . . 4.930 4.380 4.120 4.567 . 0 0 "[ . 1 . 2]" 1
822 1 63 ASP H 1 150 PHE QE . . 5.500 4.549 2.936 5.397 . 0 0 "[ . 1 . 2]" 1
823 1 63 ASP HA 1 64 SER H . . 3.280 2.522 2.321 2.636 . 0 0 "[ . 1 . 2]" 1
824 1 63 ASP HA 1 65 GLU H . . 4.430 4.253 3.930 4.483 0.053 14 0 "[ . 1 . 2]" 1
825 1 63 ASP HA 1 150 PHE QE . . 3.610 2.672 2.063 3.471 . 0 0 "[ . 1 . 2]" 1
826 1 63 ASP QB 1 64 SER H . . 3.390 2.319 1.969 3.123 . 0 0 "[ . 1 . 2]" 1
827 1 63 ASP QB 1 65 GLU H . . 4.320 2.466 1.802 2.830 . 0 0 "[ . 1 . 2]" 1
828 1 63 ASP QB 1 65 GLU QB . . 4.310 3.490 2.648 4.277 . 0 0 "[ . 1 . 2]" 1
829 1 63 ASP QB 1 150 PHE QE . . 3.900 2.708 2.122 3.802 . 0 0 "[ . 1 . 2]" 1
830 1 64 SER H 1 64 SER QB . . 3.500 2.262 2.057 2.689 . 0 0 "[ . 1 . 2]" 1
831 1 64 SER H 1 65 GLU H . . 3.570 2.598 2.224 2.893 . 0 0 "[ . 1 . 2]" 1
832 1 64 SER H 1 65 GLU QB . . 5.500 4.639 4.158 5.165 . 0 0 "[ . 1 . 2]" 1
833 1 64 SER H 1 150 PHE QE . . 5.500 4.048 3.226 5.145 . 0 0 "[ . 1 . 2]" 1
834 1 64 SER HA 1 65 GLU QG . . 4.880 4.879 4.523 4.982 0.102 1 0 "[ . 1 . 2]" 1
835 1 64 SER HA 1 67 MET H . . 4.170 3.434 2.715 4.048 . 0 0 "[ . 1 . 2]" 1
836 1 64 SER QB 1 65 GLU H . . 4.110 3.046 2.575 3.448 . 0 0 "[ . 1 . 2]" 1
837 1 64 SER QB 1 65 GLU QB . . 5.110 4.448 4.006 4.909 . 0 0 "[ . 1 . 2]" 1
838 1 64 SER QB 1 65 GLU QG . . 5.090 3.910 2.646 4.844 . 0 0 "[ . 1 . 2]" 1
839 1 65 GLU H 1 65 GLU QB . . 2.910 2.496 2.071 2.886 . 0 0 "[ . 1 . 2]" 1
840 1 65 GLU H 1 65 GLU QG . . 3.180 2.142 1.819 2.706 . 0 0 "[ . 1 . 2]" 1
841 1 65 GLU H 1 67 MET H . . 4.660 3.947 3.454 4.303 . 0 0 "[ . 1 . 2]" 1
842 1 65 GLU H 1 68 LYS QD . . 5.500 4.490 3.839 5.067 . 0 0 "[ . 1 . 2]" 1
843 1 65 GLU HA 1 65 GLU QB . . 2.450 2.248 2.117 2.464 0.014 12 0 "[ . 1 . 2]" 1
844 1 65 GLU HA 1 67 MET H . . 4.670 3.813 3.469 4.289 . 0 0 "[ . 1 . 2]" 1
845 1 65 GLU HA 1 68 LYS QB . . 4.220 4.038 2.787 4.315 0.095 5 0 "[ . 1 . 2]" 1
846 1 65 GLU HA 1 68 LYS QD . . 3.090 2.364 2.077 2.800 . 0 0 "[ . 1 . 2]" 1
847 1 65 GLU QB 1 65 GLU QG . . 2.400 2.081 2.009 2.130 . 0 0 "[ . 1 . 2]" 1
848 1 65 GLU QB 1 66 THR H . . 3.540 3.263 2.401 3.639 0.099 10 0 "[ . 1 . 2]" 1
849 1 65 GLU QB 1 68 LYS QD . . 3.940 3.832 3.214 4.049 0.109 5 0 "[ . 1 . 2]" 1
850 1 65 GLU QG 1 66 THR H . . 4.540 3.149 2.048 4.351 . 0 0 "[ . 1 . 2]" 1
851 1 66 THR H 1 66 THR HB . . 3.210 2.711 2.433 3.307 0.097 10 0 "[ . 1 . 2]" 1
852 1 66 THR H 1 66 THR MG . . 4.170 3.679 2.771 3.902 . 0 0 "[ . 1 . 2]" 1
853 1 66 THR H 1 67 MET H . . 3.410 2.571 2.138 2.806 . 0 0 "[ . 1 . 2]" 1
854 1 66 THR H 1 68 LYS H . . 5.500 4.942 4.096 5.341 . 0 0 "[ . 1 . 2]" 1
855 1 66 THR H 1 68 LYS QD . . 5.500 4.470 3.910 4.784 . 0 0 "[ . 1 . 2]" 1
856 1 66 THR HA 1 66 THR MG . . 3.660 2.308 2.202 2.454 . 0 0 "[ . 1 . 2]" 1
857 1 66 THR HA 1 68 LYS H . . 3.880 3.844 3.474 3.961 0.081 20 0 "[ . 1 . 2]" 1
858 1 66 THR HB 1 67 MET H . . 3.550 3.351 2.779 3.629 0.079 19 0 "[ . 1 . 2]" 1
859 1 66 THR MG 1 67 MET H . . 4.230 4.202 3.917 4.339 0.109 8 0 "[ . 1 . 2]" 1
860 1 66 THR MG 1 105 LEU QD . . 2.840 2.199 1.862 2.645 . 0 0 "[ . 1 . 2]" 1
861 1 67 MET H 1 67 MET QB . . 3.800 2.445 2.221 2.793 . 0 0 "[ . 1 . 2]" 1
862 1 67 MET H 1 68 LYS H . . 3.380 3.008 2.194 3.454 0.074 10 0 "[ . 1 . 2]" 1
863 1 67 MET H 1 68 LYS QD . . 3.590 3.407 2.775 3.695 0.105 14 0 "[ . 1 . 2]" 1
864 1 67 MET HA 1 67 MET ME . . 3.140 2.945 2.145 3.231 0.091 15 0 "[ . 1 . 2]" 1
865 1 67 MET HA 1 68 LYS H . . 3.440 2.805 2.531 3.298 . 0 0 "[ . 1 . 2]" 1
866 1 67 MET HA 1 94 PHE HZ . . 4.250 2.954 2.319 4.139 . 0 0 "[ . 1 . 2]" 1
867 1 67 MET QB 1 67 MET ME . . 2.920 2.193 2.034 2.375 . 0 0 "[ . 1 . 2]" 1
868 1 67 MET ME 1 94 PHE QD . . 3.380 3.190 2.266 3.496 0.116 18 0 "[ . 1 . 2]" 1
869 1 68 LYS H 1 68 LYS HB2 . . 2.920 2.866 2.192 3.783 0.863 20 5 "[ .-* 1 . ** +]" 1
870 1 68 LYS H 1 68 LYS QB . . 3.010 2.592 2.171 2.889 . 0 0 "[ . 1 . 2]" 1
871 1 68 LYS H 1 68 LYS HG3 . . 4.690 3.992 2.543 4.504 . 0 0 "[ . 1 . 2]" 1
872 1 68 LYS H 1 69 GLU H . . 4.560 4.259 2.297 4.614 0.054 17 0 "[ . 1 . 2]" 1
873 1 68 LYS H 1 94 PHE HZ . . 4.720 3.128 2.244 4.110 . 0 0 "[ . 1 . 2]" 1
874 1 68 LYS HA 1 68 LYS HG2 . . 4.250 3.401 2.536 3.709 . 0 0 "[ . 1 . 2]" 1
875 1 68 LYS HA 1 69 GLU H . . 2.760 2.239 1.926 2.804 0.044 14 0 "[ . 1 . 2]" 1
876 1 68 LYS HA 1 69 GLU QG . . 4.630 4.177 3.617 4.549 . 0 0 "[ . 1 . 2]" 1
877 1 68 LYS QB 1 69 GLU H . . 3.540 3.118 2.538 3.600 0.060 8 0 "[ . 1 . 2]" 1
878 1 68 LYS QB 1 69 GLU HA . . 5.000 4.502 4.167 4.983 . 0 0 "[ . 1 . 2]" 1
879 1 68 LYS HB3 1 69 GLU H . . 4.410 3.549 2.758 4.294 . 0 0 "[ . 1 . 2]" 1
880 1 68 LYS QE 1 68 LYS HG2 . . 3.580 2.965 2.234 3.565 . 0 0 "[ . 1 . 2]" 1
881 1 68 LYS HG2 1 69 GLU H . . 4.800 4.551 3.789 4.889 0.089 15 0 "[ . 1 . 2]" 1
882 1 68 LYS HG3 1 69 GLU H . . 4.260 3.983 3.541 4.533 0.273 14 0 "[ . 1 . 2]" 1
883 1 69 GLU H 1 69 GLU QB . . 3.080 2.532 2.263 3.199 0.119 14 0 "[ . 1 . 2]" 1
884 1 69 GLU H 1 69 GLU QG . . 3.430 3.024 2.009 3.351 . 0 0 "[ . 1 . 2]" 1
885 1 69 GLU H 1 94 PHE QE . . 5.500 4.576 2.575 5.337 . 0 0 "[ . 1 . 2]" 1
886 1 69 GLU HA 1 69 GLU QG . . 3.880 2.559 2.232 3.215 . 0 0 "[ . 1 . 2]" 1
887 1 69 GLU HA 1 70 GLU H . . 2.910 2.168 1.904 2.396 . 0 0 "[ . 1 . 2]" 1
888 1 69 GLU HA 1 70 GLU HB2 . . 5.500 5.173 4.356 5.620 0.120 2 0 "[ . 1 . 2]" 1
889 1 69 GLU HA 1 94 PHE QE . . 4.530 3.551 3.024 4.201 . 0 0 "[ . 1 . 2]" 1
890 1 69 GLU QB 1 70 GLU H . . 3.500 3.263 2.610 3.597 0.097 16 0 "[ . 1 . 2]" 1
891 1 69 GLU QB 1 83 LYS HA . . 3.710 3.265 2.090 3.769 0.059 15 0 "[ . 1 . 2]" 1
892 1 69 GLU QB 1 94 PHE QE . . 5.090 4.214 3.296 4.835 . 0 0 "[ . 1 . 2]" 1
893 1 69 GLU QG 1 70 GLU H . . 5.270 4.305 4.005 4.931 . 0 0 "[ . 1 . 2]" 1
894 1 69 GLU QG 1 83 LYS HA . . 3.400 2.451 2.015 3.062 . 0 0 "[ . 1 . 2]" 1
895 1 69 GLU QG 1 83 LYS HB3 . . 5.320 3.887 3.074 4.664 . 0 0 "[ . 1 . 2]" 1
896 1 69 GLU QG 1 84 PHE H . . 4.100 3.384 2.922 3.936 . 0 0 "[ . 1 . 2]" 1
897 1 69 GLU QG 1 84 PHE QD . . 3.750 3.271 2.225 3.721 . 0 0 "[ . 1 . 2]" 1
898 1 69 GLU QG 1 94 PHE QE . . 4.330 2.354 2.077 2.883 . 0 0 "[ . 1 . 2]" 1
899 1 69 GLU QG 1 94 PHE HZ . . 4.780 3.909 3.253 4.710 . 0 0 "[ . 1 . 2]" 1
900 1 70 GLU H 1 71 ARG H . . 4.290 4.331 4.259 4.366 0.076 8 0 "[ . 1 . 2]" 1
901 1 70 GLU H 1 71 ARG HA . . 5.420 4.690 4.561 4.862 . 0 0 "[ . 1 . 2]" 1
902 1 70 GLU H 1 72 ILE MD . . 5.470 4.596 3.780 5.570 0.100 14 0 "[ . 1 . 2]" 1
903 1 70 GLU H 1 82 SER QB . . 4.100 2.833 1.799 4.047 . 0 0 "[ . 1 . 2]" 1
904 1 70 GLU H 1 94 PHE QE . . 5.500 5.297 4.649 5.603 0.103 15 0 "[ . 1 . 2]" 1
905 1 70 GLU HA 1 70 GLU QG . . 3.740 3.079 2.333 3.391 . 0 0 "[ . 1 . 2]" 1
906 1 70 GLU HA 1 71 ARG H . . 2.810 2.505 2.322 2.845 0.035 10 0 "[ . 1 . 2]" 1
907 1 70 GLU HB2 1 71 ARG H . . 3.460 3.103 2.098 4.163 0.703 19 6 "[ * . * *1 * . +-]" 1
908 1 70 GLU HB2 1 72 ILE MD . . 4.480 3.827 3.402 4.306 . 0 0 "[ . 1 . 2]" 1
909 1 70 GLU HB2 1 72 ILE QG . . 4.370 4.218 3.084 5.087 0.717 16 2 "[ . 1 .+ -]" 1
910 1 70 GLU HB3 1 71 ARG H . . 4.090 3.690 3.216 4.099 0.009 14 0 "[ . 1 . 2]" 1
911 1 70 GLU HB3 1 72 ILE MD . . 4.220 3.579 2.232 4.341 0.121 11 0 "[ . 1 . 2]" 1
912 1 70 GLU QG 1 71 ARG H . . 4.020 2.581 1.735 3.616 . 0 0 "[ . 1 . 2]" 1
913 1 70 GLU QG 1 72 ILE MD . . 4.710 2.267 1.849 3.285 . 0 0 "[ . 1 . 2]" 1
914 1 70 GLU QG 1 72 ILE QG . . 3.800 2.562 2.179 3.036 . 0 0 "[ . 1 . 2]" 1
915 1 70 GLU QG 1 72 ILE MG . . 5.140 4.620 4.229 5.012 . 0 0 "[ . 1 . 2]" 1
916 1 71 ARG H 1 71 ARG HB2 . . 3.690 3.137 2.693 3.367 . 0 0 "[ . 1 . 2]" 1
917 1 71 ARG H 1 71 ARG HB3 . . 3.870 2.880 2.657 3.166 . 0 0 "[ . 1 . 2]" 1
918 1 71 ARG H 1 71 ARG HD2 . . 5.500 4.859 4.236 5.555 0.055 10 0 "[ . 1 . 2]" 1
919 1 71 ARG H 1 71 ARG QD . . 5.190 4.604 4.044 5.231 0.041 10 0 "[ . 1 . 2]" 1
920 1 71 ARG H 1 71 ARG HG2 . . 4.490 4.537 4.430 4.601 0.111 10 0 "[ . 1 . 2]" 1
921 1 71 ARG H 1 72 ILE H . . 4.630 3.829 3.231 4.225 . 0 0 "[ . 1 . 2]" 1
922 1 71 ARG H 1 72 ILE QG . . 5.360 3.854 3.184 4.470 . 0 0 "[ . 1 . 2]" 1
923 1 71 ARG HA 1 71 ARG HG3 . . 3.660 3.133 2.441 3.524 . 0 0 "[ . 1 . 2]" 1
924 1 71 ARG HA 1 72 ILE H . . 2.930 2.250 2.143 2.383 . 0 0 "[ . 1 . 2]" 1
925 1 71 ARG HA 1 79 ILE MG . . 4.530 3.904 3.435 4.370 . 0 0 "[ . 1 . 2]" 1
926 1 71 ARG HA 1 81 VAL HA . . 3.210 2.400 2.131 2.823 . 0 0 "[ . 1 . 2]" 1
927 1 71 ARG HA 1 81 VAL QG . . 3.580 2.887 2.381 3.497 . 0 0 "[ . 1 . 2]" 1
928 1 71 ARG HB2 1 71 ARG QD . . 3.130 3.248 3.068 3.574 0.444 8 0 "[ . 1 . 2]" 1
929 1 71 ARG HB2 1 72 ILE H . . 4.670 4.581 4.391 4.720 0.050 20 0 "[ . 1 . 2]" 1
930 1 71 ARG HB2 1 81 VAL QG . . 4.640 2.942 2.463 3.977 . 0 0 "[ . 1 . 2]" 1
931 1 71 ARG QD 1 79 ILE HG12 . . 5.350 4.459 3.867 5.192 . 0 0 "[ . 1 . 2]" 1
932 1 71 ARG QD 1 79 ILE MG . . 4.400 2.284 1.878 3.151 . 0 0 "[ . 1 . 2]" 1
933 1 71 ARG QD 1 81 VAL QG . . 3.820 3.349 2.210 3.822 0.002 4 0 "[ . 1 . 2]" 1
934 1 71 ARG HG2 1 79 ILE MG . . 3.390 2.483 2.051 3.466 0.076 8 0 "[ . 1 . 2]" 1
935 1 71 ARG HG2 1 81 VAL HA . . 3.910 3.573 2.288 4.255 0.345 13 0 "[ . 1 . 2]" 1
936 1 71 ARG HG3 1 79 ILE MG . . 3.950 3.226 2.685 4.036 0.086 6 0 "[ . 1 . 2]" 1
937 1 71 ARG HG3 1 81 VAL QG . . 3.220 2.317 1.979 2.767 . 0 0 "[ . 1 . 2]" 1
938 1 72 ILE H 1 72 ILE HB . . 3.300 2.591 2.308 2.794 . 0 0 "[ . 1 . 2]" 1
939 1 72 ILE H 1 72 ILE QG . . 4.100 3.037 2.681 3.349 . 0 0 "[ . 1 . 2]" 1
940 1 72 ILE H 1 72 ILE MG . . 4.050 3.819 3.725 3.880 . 0 0 "[ . 1 . 2]" 1
941 1 72 ILE H 1 73 THR H . . 4.740 4.283 4.019 4.622 . 0 0 "[ . 1 . 2]" 1
942 1 72 ILE H 1 79 ILE MG . . 4.170 3.852 3.147 4.235 0.065 20 0 "[ . 1 . 2]" 1
943 1 72 ILE H 1 80 TYR HB2 . . 5.130 4.642 3.941 5.147 0.017 2 0 "[ . 1 . 2]" 1
944 1 72 ILE H 1 80 TYR HB3 . . 5.010 3.220 2.462 3.915 . 0 0 "[ . 1 . 2]" 1
945 1 72 ILE H 1 80 TYR QD . . 5.500 4.357 3.490 5.254 . 0 0 "[ . 1 . 2]" 1
946 1 72 ILE H 1 81 VAL HA . . 4.150 3.490 2.797 4.103 . 0 0 "[ . 1 . 2]" 1
947 1 72 ILE H 1 81 VAL QG . . 4.800 4.016 3.725 4.490 . 0 0 "[ . 1 . 2]" 1
948 1 72 ILE H 1 82 SER H . . 5.330 5.070 4.541 5.402 0.072 17 0 "[ . 1 . 2]" 1
949 1 72 ILE HA 1 72 ILE MD . . 3.790 3.637 3.453 3.861 0.071 9 0 "[ . 1 . 2]" 1
950 1 72 ILE HA 1 72 ILE QG . . 3.610 2.516 2.306 2.724 . 0 0 "[ . 1 . 2]" 1
951 1 72 ILE HA 1 72 ILE MG . . 2.870 2.347 2.202 2.522 . 0 0 "[ . 1 . 2]" 1
952 1 72 ILE HA 1 73 THR H . . 2.740 2.222 2.155 2.384 . 0 0 "[ . 1 . 2]" 1
953 1 72 ILE HA 1 73 THR HB . . 4.810 4.634 4.064 4.886 0.076 5 0 "[ . 1 . 2]" 1
954 1 72 ILE HB 1 72 ILE MD . . 3.130 2.260 2.122 2.352 . 0 0 "[ . 1 . 2]" 1
955 1 72 ILE HB 1 73 THR H . . 4.960 4.327 3.864 4.489 . 0 0 "[ . 1 . 2]" 1
956 1 72 ILE HB 1 74 GLN HE21 . . 5.500 3.344 2.518 4.575 . 0 0 "[ . 1 . 2]" 1
957 1 72 ILE HB 1 74 GLN HE22 . . 5.470 4.726 4.107 5.374 . 0 0 "[ . 1 . 2]" 1
958 1 72 ILE HB 1 80 TYR H . . 4.630 3.215 2.834 3.691 . 0 0 "[ . 1 . 2]" 1
959 1 72 ILE HB 1 80 TYR HB2 . . 3.410 3.335 2.769 3.490 0.080 5 0 "[ . 1 . 2]" 1
960 1 72 ILE HB 1 80 TYR HB3 . . 3.410 2.268 2.111 2.594 . 0 0 "[ . 1 . 2]" 1
961 1 72 ILE HB 1 80 TYR QD . . 4.690 3.967 3.396 4.350 . 0 0 "[ . 1 . 2]" 1
962 1 72 ILE MD 1 80 TYR HB2 . . 4.100 3.774 2.939 4.182 0.082 16 0 "[ . 1 . 2]" 1
963 1 72 ILE MD 1 80 TYR HB3 . . 3.480 2.400 1.996 2.816 . 0 0 "[ . 1 . 2]" 1
964 1 72 ILE MD 1 80 TYR QD . . 4.120 2.485 2.026 3.872 . 0 0 "[ . 1 . 2]" 1
965 1 72 ILE QG 1 72 ILE MG . . 2.940 2.094 2.042 2.140 . 0 0 "[ . 1 . 2]" 1
966 1 72 ILE QG 1 74 GLN HE21 . . 5.500 4.582 3.811 5.302 . 0 0 "[ . 1 . 2]" 1
967 1 72 ILE QG 1 80 TYR QD . . 5.070 4.464 4.140 4.933 . 0 0 "[ . 1 . 2]" 1
968 1 72 ILE MG 1 73 THR H . . 3.180 3.059 2.289 3.287 0.107 12 0 "[ . 1 . 2]" 1
969 1 72 ILE MG 1 74 GLN H . . 4.620 4.099 3.410 4.546 . 0 0 "[ . 1 . 2]" 1
970 1 72 ILE MG 1 74 GLN HB2 . . 4.550 4.673 4.355 4.966 0.416 15 0 "[ . 1 . 2]" 1
971 1 72 ILE MG 1 74 GLN HE21 . . 4.640 2.722 1.979 3.799 . 0 0 "[ . 1 . 2]" 1
972 1 72 ILE MG 1 74 GLN HE22 . . 4.330 3.887 2.887 4.384 0.054 9 0 "[ . 1 . 2]" 1
973 1 72 ILE MG 1 74 GLN HG2 . . 4.150 2.463 2.276 2.703 . 0 0 "[ . 1 . 2]" 1
974 1 72 ILE MG 1 74 GLN HG3 . . 4.010 2.672 2.272 3.049 . 0 0 "[ . 1 . 2]" 1
975 1 73 THR H 1 73 THR HB . . 2.870 2.789 2.401 2.956 0.086 1 0 "[ . 1 . 2]" 1
976 1 73 THR H 1 73 THR MG . . 3.130 2.327 1.892 3.268 0.138 7 0 "[ . 1 . 2]" 1
977 1 73 THR H 1 79 ILE MG . . 5.500 4.223 3.749 5.100 . 0 0 "[ . 1 . 2]" 1
978 1 73 THR HA 1 73 THR MG . . 3.420 3.044 2.101 3.309 . 0 0 "[ . 1 . 2]" 1
979 1 73 THR HA 1 74 GLN H . . 2.800 2.247 2.139 2.504 . 0 0 "[ . 1 . 2]" 1
980 1 73 THR HA 1 79 ILE HA . . 3.240 2.458 2.124 2.990 . 0 0 "[ . 1 . 2]" 1
981 1 73 THR HA 1 79 ILE HG12 . . 3.560 2.501 2.149 2.987 . 0 0 "[ . 1 . 2]" 1
982 1 73 THR HA 1 80 TYR H . . 4.120 3.756 3.320 4.190 0.070 1 0 "[ . 1 . 2]" 1
983 1 73 THR HB 1 74 GLN H . . 4.460 4.371 4.044 4.518 0.058 8 0 "[ . 1 . 2]" 1
984 1 74 GLN H 1 74 GLN HB2 . . 3.700 2.679 2.477 2.831 . 0 0 "[ . 1 . 2]" 1
985 1 74 GLN H 1 74 GLN HB3 . . 3.330 3.717 3.620 3.775 0.445 6 0 "[ . 1 . 2]" 1
986 1 74 GLN H 1 74 GLN HG2 . . 3.600 3.542 3.346 3.573 . 0 0 "[ . 1 . 2]" 1
987 1 74 GLN H 1 74 GLN HG3 . . 3.480 2.560 2.276 2.860 . 0 0 "[ . 1 . 2]" 1
988 1 74 GLN H 1 79 ILE HA . . 3.840 2.892 2.428 3.556 . 0 0 "[ . 1 . 2]" 1
989 1 74 GLN H 1 79 ILE HG13 . . 5.500 4.228 3.157 5.356 . 0 0 "[ . 1 . 2]" 1
990 1 74 GLN H 1 79 ILE MG . . 5.360 4.370 3.815 5.177 . 0 0 "[ . 1 . 2]" 1
991 1 74 GLN HA 1 74 GLN HG2 . . 3.320 2.652 2.310 2.870 . 0 0 "[ . 1 . 2]" 1
992 1 74 GLN HA 1 74 GLN HG3 . . 3.290 3.332 3.099 3.403 0.113 12 0 "[ . 1 . 2]" 1
993 1 74 GLN HA 1 75 GLU H . . 2.930 2.445 1.993 2.830 . 0 0 "[ . 1 . 2]" 1
994 1 74 GLN HA 1 75 GLU QB . . 4.190 4.156 3.702 4.282 0.092 14 0 "[ . 1 . 2]" 1
995 1 74 GLN HB2 1 74 GLN HG3 . . 2.750 2.432 2.358 2.471 . 0 0 "[ . 1 . 2]" 1
996 1 74 GLN HB2 1 75 GLU H . . 4.110 3.361 2.726 4.352 0.242 5 0 "[ . 1 . 2]" 1
997 1 74 GLN HB2 1 78 GLY H . . 3.950 2.331 1.788 2.685 . 0 0 "[ . 1 . 2]" 1
998 1 74 GLN HB3 1 74 GLN HE21 . . 4.490 4.351 3.506 4.616 0.126 10 0 "[ . 1 . 2]" 1
999 1 74 GLN HB3 1 74 GLN HG2 . . 2.400 2.503 2.419 2.568 0.168 12 0 "[ . 1 . 2]" 1
1000 1 74 GLN HB3 1 78 GLY H . . 4.350 3.736 3.275 4.029 . 0 0 "[ . 1 . 2]" 1
1001 1 74 GLN HE21 1 80 TYR HB2 . . 5.500 3.149 1.944 4.321 . 0 0 "[ . 1 . 2]" 1
1002 1 74 GLN HE21 1 80 TYR QD . . 5.500 4.439 2.605 5.559 0.059 17 0 "[ . 1 . 2]" 1
1003 1 74 GLN HE22 1 74 GLN HG2 . . 3.890 3.788 3.590 4.056 0.166 5 0 "[ . 1 . 2]" 1
1004 1 74 GLN HE22 1 74 GLN HG3 . . 3.870 3.635 3.497 3.936 0.066 15 0 "[ . 1 . 2]" 1
1005 1 74 GLN HE22 1 80 TYR H . . 5.500 5.148 4.233 5.842 0.342 20 0 "[ . 1 . 2]" 1
1006 1 74 GLN HE22 1 80 TYR HB2 . . 5.500 3.682 2.913 4.773 . 0 0 "[ . 1 . 2]" 1
1007 1 74 GLN HE22 1 80 TYR QD . . 5.500 4.341 2.112 5.556 0.056 3 0 "[ . 1 . 2]" 1
1008 1 74 GLN HG2 1 75 GLU H . . 4.960 4.412 4.178 4.621 . 0 0 "[ . 1 . 2]" 1
1009 1 74 GLN HG3 1 75 GLU H . . 4.570 4.946 4.738 5.051 0.481 16 0 "[ . 1 . 2]" 1
1010 1 74 GLN HG3 1 78 GLY H . . 5.500 3.990 3.212 4.931 . 0 0 "[ . 1 . 2]" 1
1011 1 75 GLU H 1 75 GLU QB . . 2.800 2.537 2.367 2.899 0.099 17 0 "[ . 1 . 2]" 1
1012 1 75 GLU H 1 75 GLU QG . . 3.210 2.845 1.957 3.328 0.118 9 0 "[ . 1 . 2]" 1
1013 1 75 GLU H 1 76 GLU H . . 3.550 2.013 1.756 2.663 . 0 0 "[ . 1 . 2]" 1
1014 1 75 GLU H 1 77 GLY H . . 5.120 3.799 3.111 4.476 . 0 0 "[ . 1 . 2]" 1
1015 1 75 GLU HA 1 75 GLU QB . . 2.450 2.300 2.016 2.483 0.033 3 0 "[ . 1 . 2]" 1
1016 1 75 GLU HA 1 75 GLU QG . . 2.850 2.759 2.246 2.985 0.135 19 0 "[ . 1 . 2]" 1
1017 1 75 GLU HA 1 76 GLU H . . 3.320 3.365 3.242 3.411 0.091 18 0 "[ . 1 . 2]" 1
1018 1 75 GLU HA 1 77 GLY H . . 4.140 3.871 3.289 4.213 0.073 17 0 "[ . 1 . 2]" 1
1019 1 75 GLU QB 1 76 GLU H . . 3.260 3.217 2.500 3.380 0.120 9 0 "[ . 1 . 2]" 1
1020 1 76 GLU H 1 76 GLU HB2 . . 2.910 2.845 2.301 3.810 0.900 3 5 "[ + . *1 - *. * 2]" 1
1021 1 76 GLU H 1 76 GLU QG . . 3.150 2.825 2.305 3.686 0.536 2 1 "[ + . 1 . 2]" 1
1022 1 76 GLU H 1 77 GLY H . . 3.390 2.654 2.090 3.457 0.067 17 0 "[ . 1 . 2]" 1
1023 1 76 GLU HA 1 76 GLU HB3 . . 2.760 2.552 2.428 2.976 0.216 2 0 "[ . 1 . 2]" 1
1024 1 76 GLU HA 1 76 GLU QG . . 2.840 2.618 2.231 2.980 0.140 3 0 "[ . 1 . 2]" 1
1025 1 76 GLU HA 1 77 GLY H . . 3.310 3.144 2.450 3.444 0.134 2 0 "[ . 1 . 2]" 1
1026 1 76 GLU HB3 1 76 GLU QG . . 2.400 2.371 2.248 2.463 0.063 19 0 "[ . 1 . 2]" 1
1027 1 76 GLU HB3 1 77 GLY H . . 4.650 4.315 3.198 4.594 . 0 0 "[ . 1 . 2]" 1
1028 1 77 GLY HA2 1 98 TYR QE . . 5.100 4.917 3.973 5.863 0.763 3 2 "[ +-. 1 . 2]" 1
1029 1 78 GLY H 1 78 GLY QA . . 2.780 2.464 2.296 2.511 . 0 0 "[ . 1 . 2]" 1
1030 1 78 GLY H 1 79 ILE H . . 4.400 4.351 4.239 4.466 0.066 20 0 "[ . 1 . 2]" 1
1031 1 78 GLY H 1 98 TYR QE . . 4.860 2.995 2.305 4.276 . 0 0 "[ . 1 . 2]" 1
1032 1 78 GLY QA 1 79 ILE H . . 2.630 2.297 2.157 2.388 . 0 0 "[ . 1 . 2]" 1
1033 1 78 GLY QA 1 79 ILE HG12 . . 4.850 4.645 4.321 4.926 0.076 3 0 "[ . 1 . 2]" 1
1034 1 78 GLY QA 1 79 ILE HG13 . . 4.450 3.577 3.230 3.788 . 0 0 "[ . 1 . 2]" 1
1035 1 78 GLY QA 1 80 TYR HB2 . . 5.430 5.445 5.275 5.519 0.089 10 0 "[ . 1 . 2]" 1
1036 1 78 GLY QA 1 98 TYR QD . . 4.250 2.596 2.292 3.083 . 0 0 "[ . 1 . 2]" 1
1037 1 78 GLY QA 1 98 TYR QE . . 3.210 3.192 2.708 3.319 0.109 13 0 "[ . 1 . 2]" 1
1038 1 79 ILE H 1 79 ILE HB . . 3.150 2.470 2.296 2.709 . 0 0 "[ . 1 . 2]" 1
1039 1 79 ILE H 1 79 ILE MD . . 4.320 3.815 3.321 4.364 0.044 4 0 "[ . 1 . 2]" 1
1040 1 79 ILE H 1 79 ILE HG12 . . 3.820 3.752 3.445 3.893 0.073 4 0 "[ . 1 . 2]" 1
1041 1 79 ILE H 1 79 ILE HG13 . . 3.580 2.598 2.412 3.059 . 0 0 "[ . 1 . 2]" 1
1042 1 79 ILE H 1 79 ILE MG . . 3.780 3.794 3.725 3.862 0.082 4 0 "[ . 1 . 2]" 1
1043 1 79 ILE H 1 80 TYR H . . 4.700 4.216 3.976 4.379 . 0 0 "[ . 1 . 2]" 1
1044 1 79 ILE H 1 98 TYR QD . . 4.150 2.787 2.311 3.086 . 0 0 "[ . 1 . 2]" 1
1045 1 79 ILE H 1 98 TYR QE . . 5.500 4.160 3.506 4.523 . 0 0 "[ . 1 . 2]" 1
1046 1 79 ILE H 1 99 GLU HB3 . . 4.680 3.926 3.113 4.409 . 0 0 "[ . 1 . 2]" 1
1047 1 79 ILE H 1 99 GLU QG . . 5.500 5.480 4.992 5.594 0.094 15 0 "[ . 1 . 2]" 1
1048 1 79 ILE HA 1 79 ILE HG12 . . 3.850 2.596 2.350 2.836 . 0 0 "[ . 1 . 2]" 1
1049 1 79 ILE HA 1 79 ILE HG13 . . 3.250 3.077 2.803 3.243 . 0 0 "[ . 1 . 2]" 1
1050 1 79 ILE HA 1 79 ILE MG . . 3.120 2.471 2.347 2.619 . 0 0 "[ . 1 . 2]" 1
1051 1 79 ILE HA 1 80 TYR H . . 3.210 2.173 2.116 2.262 . 0 0 "[ . 1 . 2]" 1
1052 1 79 ILE HA 1 98 TYR QE . . 3.860 3.940 3.810 3.968 0.108 7 0 "[ . 1 . 2]" 1
1053 1 79 ILE HA 1 99 GLU H . . 4.580 4.659 4.482 4.681 0.101 10 0 "[ . 1 . 2]" 1
1054 1 79 ILE HB 1 79 ILE MD . . 3.110 2.415 2.277 2.631 . 0 0 "[ . 1 . 2]" 1
1055 1 79 ILE HB 1 99 GLU H . . 5.030 3.168 2.853 3.410 . 0 0 "[ . 1 . 2]" 1
1056 1 79 ILE HB 1 99 GLU HB2 . . 2.950 2.274 2.008 2.467 . 0 0 "[ . 1 . 2]" 1
1057 1 79 ILE MD 1 79 ILE MG . . 2.590 2.105 2.059 2.174 . 0 0 "[ . 1 . 2]" 1
1058 1 79 ILE HG12 1 79 ILE MG . . 3.150 2.426 2.268 2.633 . 0 0 "[ . 1 . 2]" 1
1059 1 79 ILE HG12 1 80 TYR H . . 5.010 4.705 4.396 4.958 . 0 0 "[ . 1 . 2]" 1
1060 1 79 ILE HG13 1 79 ILE MG . . 3.350 3.235 3.189 3.260 . 0 0 "[ . 1 . 2]" 1
1061 1 79 ILE HG13 1 80 TYR H . . 5.500 5.171 4.932 5.317 . 0 0 "[ . 1 . 2]" 1
1062 1 79 ILE MG 1 80 TYR H . . 3.420 3.311 3.100 3.501 0.081 10 0 "[ . 1 . 2]" 1
1063 1 79 ILE MG 1 81 VAL H . . 4.720 4.316 3.626 4.753 0.033 11 0 "[ . 1 . 2]" 1
1064 1 79 ILE MG 1 99 GLU H . . 5.230 3.731 3.439 4.081 . 0 0 "[ . 1 . 2]" 1
1065 1 79 ILE MG 1 99 GLU HA . . 5.040 4.889 4.233 5.134 0.094 20 0 "[ . 1 . 2]" 1
1066 1 79 ILE MG 1 99 GLU HB2 . . 4.220 2.762 2.261 3.035 . 0 0 "[ . 1 . 2]" 1
1067 1 79 ILE MG 1 99 GLU HB3 . . 3.960 3.776 3.422 4.018 0.058 4 0 "[ . 1 . 2]" 1
1068 1 79 ILE MG 1 99 GLU QG . . 3.650 3.389 2.734 3.763 0.113 14 0 "[ . 1 . 2]" 1
1069 1 80 TYR H 1 80 TYR HB2 . . 3.810 2.454 2.202 2.741 . 0 0 "[ . 1 . 2]" 1
1070 1 80 TYR H 1 80 TYR HB3 . . 3.810 2.737 2.561 2.962 . 0 0 "[ . 1 . 2]" 1
1071 1 80 TYR H 1 80 TYR QD . . 4.700 4.198 3.879 4.358 . 0 0 "[ . 1 . 2]" 1
1072 1 80 TYR H 1 81 VAL H . . 5.000 4.511 4.119 4.667 . 0 0 "[ . 1 . 2]" 1
1073 1 80 TYR H 1 98 TYR QD . . 5.500 3.521 2.800 3.931 . 0 0 "[ . 1 . 2]" 1
1074 1 80 TYR H 1 99 GLU H . . 5.470 4.818 4.587 4.924 . 0 0 "[ . 1 . 2]" 1
1075 1 80 TYR HA 1 80 TYR QD . . 3.280 2.706 2.197 3.070 . 0 0 "[ . 1 . 2]" 1
1076 1 80 TYR HA 1 81 VAL H . . 3.040 2.269 2.160 2.358 . 0 0 "[ . 1 . 2]" 1
1077 1 80 TYR HA 1 81 VAL HA . . 4.840 4.495 4.390 4.544 . 0 0 "[ . 1 . 2]" 1
1078 1 80 TYR HA 1 81 VAL QG . . 4.270 3.513 3.221 3.906 . 0 0 "[ . 1 . 2]" 1
1079 1 80 TYR HA 1 98 TYR HA . . 3.160 2.168 1.966 2.364 . 0 0 "[ . 1 . 2]" 1
1080 1 80 TYR HA 1 98 TYR HB3 . . 4.680 4.510 3.959 4.742 0.062 16 0 "[ . 1 . 2]" 1
1081 1 80 TYR HA 1 98 TYR QD . . 4.750 3.040 2.881 3.265 . 0 0 "[ . 1 . 2]" 1
1082 1 80 TYR HA 1 98 TYR QE . . 4.920 3.818 3.375 4.153 . 0 0 "[ . 1 . 2]" 1
1083 1 80 TYR HA 1 99 GLU H . . 3.830 3.593 3.317 3.876 0.046 14 0 "[ . 1 . 2]" 1
1084 1 80 TYR HB2 1 81 VAL H . . 4.830 4.514 4.264 4.681 . 0 0 "[ . 1 . 2]" 1
1085 1 80 TYR HB3 1 81 VAL H . . 4.460 4.114 3.777 4.470 0.010 14 0 "[ . 1 . 2]" 1
1086 1 80 TYR QD 1 81 VAL H . . 4.340 3.410 1.898 4.282 . 0 0 "[ . 1 . 2]" 1
1087 1 80 TYR QD 1 96 ALA MB . . 5.050 4.356 3.968 4.744 . 0 0 "[ . 1 . 2]" 1
1088 1 80 TYR QD 1 97 GLY H . . 5.480 4.319 3.373 4.838 . 0 0 "[ . 1 . 2]" 1
1089 1 80 TYR QD 1 97 GLY HA2 . . 4.470 3.979 3.300 4.551 0.081 11 0 "[ . 1 . 2]" 1
1090 1 80 TYR QD 1 98 TYR H . . 5.500 4.080 2.958 4.907 . 0 0 "[ . 1 . 2]" 1
1091 1 80 TYR QD 1 98 TYR HA . . 4.180 3.558 2.983 4.279 0.099 7 0 "[ . 1 . 2]" 1
1092 1 80 TYR QD 1 98 TYR QD . . 3.960 3.435 2.944 4.020 0.060 20 0 "[ . 1 . 2]" 1
1093 1 80 TYR QD 1 98 TYR QE . . 3.440 3.140 2.914 3.496 0.056 8 0 "[ . 1 . 2]" 1
1094 1 80 TYR QE 1 96 ALA MB . . 3.600 3.164 2.411 3.734 0.134 9 0 "[ . 1 . 2]" 1
1095 1 80 TYR QE 1 97 GLY H . . 4.720 4.088 3.190 4.810 0.090 14 0 "[ . 1 . 2]" 1
1096 1 80 TYR QE 1 97 GLY HA2 . . 3.810 3.056 2.287 3.906 0.096 14 0 "[ . 1 . 2]" 1
1097 1 80 TYR QE 1 98 TYR H . . 4.810 4.183 2.987 4.884 0.074 9 0 "[ . 1 . 2]" 1
1098 1 80 TYR QE 1 98 TYR QD . . 4.450 4.029 3.036 4.533 0.083 18 0 "[ . 1 . 2]" 1
1099 1 81 VAL H 1 81 VAL HB . . 3.360 2.963 2.435 3.448 0.088 15 0 "[ . 1 . 2]" 1
1100 1 81 VAL H 1 81 VAL QG . . 3.600 2.560 1.950 2.979 . 0 0 "[ . 1 . 2]" 1
1101 1 81 VAL H 1 82 SER H . . 4.660 4.296 3.909 4.632 . 0 0 "[ . 1 . 2]" 1
1102 1 81 VAL H 1 82 SER HA . . 5.500 4.903 4.669 5.282 . 0 0 "[ . 1 . 2]" 1
1103 1 81 VAL H 1 96 ALA HA . . 5.500 4.663 4.202 5.131 . 0 0 "[ . 1 . 2]" 1
1104 1 81 VAL H 1 97 GLY H . . 3.950 3.104 2.668 3.672 . 0 0 "[ . 1 . 2]" 1
1105 1 81 VAL H 1 99 GLU H . . 4.590 4.027 3.645 4.506 . 0 0 "[ . 1 . 2]" 1
1106 1 81 VAL HA 1 81 VAL QG . . 3.090 2.263 2.110 2.513 . 0 0 "[ . 1 . 2]" 1
1107 1 81 VAL HA 1 82 SER H . . 2.920 2.230 2.118 2.414 . 0 0 "[ . 1 . 2]" 1
1108 1 81 VAL HB 1 82 SER H . . 4.370 4.018 3.676 4.434 0.064 4 0 "[ . 1 . 2]" 1
1109 1 81 VAL QG 1 82 SER H . . 3.200 2.550 2.048 3.135 . 0 0 "[ . 1 . 2]" 1
1110 1 81 VAL QG 1 83 LYS H . . 4.460 3.460 2.901 4.268 . 0 0 "[ . 1 . 2]" 1
1111 1 81 VAL QG 1 83 LYS QE . . 3.390 2.065 1.788 3.024 . 0 0 "[ . 1 . 2]" 1
1112 1 81 VAL QG 1 83 LYS QG . . 3.110 2.433 1.934 3.097 . 0 0 "[ . 1 . 2]" 1
1113 1 81 VAL QG 1 97 GLY H . . 5.030 4.119 3.702 4.665 . 0 0 "[ . 1 . 2]" 1
1114 1 81 VAL QG 1 99 GLU H . . 4.420 2.973 2.684 3.267 . 0 0 "[ . 1 . 2]" 1
1115 1 81 VAL QG 1 99 GLU HA . . 5.280 3.229 2.638 3.764 . 0 0 "[ . 1 . 2]" 1
1116 1 81 VAL QG 1 99 GLU HB2 . . 3.950 2.435 2.233 2.733 . 0 0 "[ . 1 . 2]" 1
1117 1 81 VAL QG 1 99 GLU HB3 . . 4.160 3.802 3.531 4.077 . 0 0 "[ . 1 . 2]" 1
1118 1 81 VAL QG 1 99 GLU QG . . 3.160 2.333 1.909 2.855 . 0 0 "[ . 1 . 2]" 1
1119 1 81 VAL QG 1 100 GLU H . . 5.500 5.063 4.551 5.448 . 0 0 "[ . 1 . 2]" 1
1120 1 82 SER H 1 83 LYS H . . 4.820 4.010 3.638 4.548 . 0 0 "[ . 1 . 2]" 1
1121 1 82 SER H 1 96 ALA HA . . 4.820 4.645 4.108 4.862 0.042 4 0 "[ . 1 . 2]" 1
1122 1 82 SER H 1 96 ALA MB . . 5.010 4.487 3.594 5.065 0.055 20 0 "[ . 1 . 2]" 1
1123 1 82 SER HA 1 83 LYS H . . 2.980 2.261 2.132 2.434 . 0 0 "[ . 1 . 2]" 1
1124 1 82 SER HA 1 95 GLU H . . 5.500 4.765 4.285 5.536 0.036 2 0 "[ . 1 . 2]" 1
1125 1 82 SER HA 1 96 ALA HA . . 2.990 2.214 1.972 2.362 . 0 0 "[ . 1 . 2]" 1
1126 1 82 SER HA 1 96 ALA MB . . 3.320 2.653 2.105 3.385 0.065 7 0 "[ . 1 . 2]" 1
1127 1 82 SER HA 1 97 GLY H . . 3.750 3.676 3.270 3.824 0.074 13 0 "[ . 1 . 2]" 1
1128 1 82 SER QB 1 96 ALA HA . . 4.130 3.426 2.519 4.139 0.009 5 0 "[ . 1 . 2]" 1
1129 1 82 SER QB 1 96 ALA MB . . 3.630 2.260 1.879 2.810 . 0 0 "[ . 1 . 2]" 1
1130 1 83 LYS H 1 83 LYS QE . . 4.830 4.459 3.752 4.766 . 0 0 "[ . 1 . 2]" 1
1131 1 83 LYS H 1 83 LYS QG . . 4.170 3.066 2.521 3.595 . 0 0 "[ . 1 . 2]" 1
1132 1 83 LYS H 1 84 PHE H . . 4.510 4.332 4.030 4.454 . 0 0 "[ . 1 . 2]" 1
1133 1 83 LYS H 1 96 ALA HA . . 4.030 3.656 3.249 4.087 0.057 20 0 "[ . 1 . 2]" 1
1134 1 83 LYS H 1 96 ALA MB . . 5.140 4.152 3.532 4.862 . 0 0 "[ . 1 . 2]" 1
1135 1 83 LYS H 1 97 GLY H . . 5.370 5.318 5.008 5.440 0.070 3 0 "[ . 1 . 2]" 1
1136 1 83 LYS HA 1 84 PHE H . . 3.250 2.460 2.120 2.663 . 0 0 "[ . 1 . 2]" 1
1137 1 83 LYS HB2 1 83 LYS QE . . 3.540 3.084 2.184 4.271 0.731 2 1 "[ + . 1 . 2]" 1
1138 1 83 LYS HB2 1 83 LYS QG . . 2.730 2.339 2.168 2.456 . 0 0 "[ . 1 . 2]" 1
1139 1 83 LYS HB2 1 84 PHE H . . 3.800 2.890 2.012 3.850 0.050 19 0 "[ . 1 . 2]" 1
1140 1 83 LYS HB3 1 83 LYS QE . . 4.660 2.941 1.989 4.057 . 0 0 "[ . 1 . 2]" 1
1141 1 83 LYS HB3 1 84 PHE H . . 3.470 3.094 1.990 3.878 0.408 3 0 "[ . 1 . 2]" 1
1142 1 83 LYS QE 1 83 LYS QG . . 2.700 2.250 1.917 2.500 . 0 0 "[ . 1 . 2]" 1
1143 1 84 PHE H 1 84 PHE HB2 . . 3.650 3.401 2.482 3.703 0.053 14 0 "[ . 1 . 2]" 1
1144 1 84 PHE H 1 84 PHE HB3 . . 4.070 2.980 2.499 3.693 . 0 0 "[ . 1 . 2]" 1
1145 1 84 PHE H 1 84 PHE QD . . 3.970 2.459 2.161 2.789 . 0 0 "[ . 1 . 2]" 1
1146 1 84 PHE H 1 85 THR H . . 5.430 4.550 4.059 4.661 . 0 0 "[ . 1 . 2]" 1
1147 1 84 PHE HA 1 84 PHE QD . . 3.760 3.572 2.516 3.812 0.052 3 0 "[ . 1 . 2]" 1
1148 1 84 PHE HA 1 85 THR H . . 3.090 2.249 2.180 2.329 . 0 0 "[ . 1 . 2]" 1
1149 1 84 PHE HA 1 85 THR MG . . 4.450 3.749 3.268 4.171 . 0 0 "[ . 1 . 2]" 1
1150 1 84 PHE HA 1 86 LEU H . . 4.180 3.740 3.313 4.081 . 0 0 "[ . 1 . 2]" 1
1151 1 84 PHE HA 1 94 PHE HA . . 3.270 2.379 1.938 3.277 0.007 20 0 "[ . 1 . 2]" 1
1152 1 84 PHE HA 1 94 PHE QD . . 4.790 3.410 2.651 4.465 . 0 0 "[ . 1 . 2]" 1
1153 1 84 PHE HA 1 95 GLU H . . 3.940 3.328 2.642 3.978 0.038 5 0 "[ . 1 . 2]" 1
1154 1 84 PHE HB2 1 85 THR H . . 5.390 3.354 2.831 4.445 . 0 0 "[ . 1 . 2]" 1
1155 1 84 PHE HB2 1 86 LEU H . . 4.900 3.125 2.380 4.681 . 0 0 "[ . 1 . 2]" 1
1156 1 84 PHE HB3 1 85 THR H . . 4.520 3.930 2.939 4.503 . 0 0 "[ . 1 . 2]" 1
1157 1 84 PHE HB3 1 86 LEU H . . 4.470 4.163 2.380 4.969 0.499 19 0 "[ . 1 . 2]" 1
1158 1 84 PHE QD 1 85 THR H . . 5.340 4.185 3.745 4.826 . 0 0 "[ . 1 . 2]" 1
1159 1 84 PHE QD 1 86 LEU H . . 5.190 3.695 2.418 4.904 . 0 0 "[ . 1 . 2]" 1
1160 1 84 PHE QD 1 94 PHE QD . . 4.620 4.072 2.586 4.703 0.083 16 0 "[ . 1 . 2]" 1
1161 1 85 THR H 1 85 THR HB . . 3.930 3.430 2.594 3.725 . 0 0 "[ . 1 . 2]" 1
1162 1 85 THR H 1 85 THR MG . . 3.170 2.356 1.803 2.849 . 0 0 "[ . 1 . 2]" 1
1163 1 85 THR H 1 86 LEU H . . 3.210 2.328 2.086 2.661 . 0 0 "[ . 1 . 2]" 1
1164 1 85 THR H 1 94 PHE HA . . 4.450 3.612 2.989 4.319 . 0 0 "[ . 1 . 2]" 1
1165 1 85 THR H 1 95 GLU H . . 3.960 3.998 3.587 4.047 0.087 3 0 "[ . 1 . 2]" 1
1166 1 85 THR HA 1 85 THR MG . . 3.130 2.629 2.157 3.233 0.103 5 0 "[ . 1 . 2]" 1
1167 1 85 THR MG 1 86 LEU H . . 4.510 3.714 2.435 4.361 . 0 0 "[ . 1 . 2]" 1
1168 1 85 THR MG 1 94 PHE HA . . 4.450 4.310 3.593 4.546 0.096 1 0 "[ . 1 . 2]" 1
1169 1 85 THR MG 1 95 GLU H . . 3.960 3.638 2.828 4.043 0.083 18 0 "[ . 1 . 2]" 1
1170 1 85 THR MG 1 95 GLU QB . . 3.330 2.834 2.094 3.360 0.030 2 0 "[ . 1 . 2]" 1
1171 1 85 THR MG 1 95 GLU HG2 . . 4.040 2.817 1.981 4.116 0.076 1 0 "[ . 1 . 2]" 1
1172 1 85 THR MG 1 95 GLU HG3 . . 4.990 2.428 1.820 3.095 . 0 0 "[ . 1 . 2]" 1
1173 1 86 LEU H 1 86 LEU HB3 . . 3.670 2.724 2.415 3.085 . 0 0 "[ . 1 . 2]" 1
1174 1 86 LEU H 1 86 LEU QD . . 5.020 3.894 3.664 4.041 . 0 0 "[ . 1 . 2]" 1
1175 1 86 LEU H 1 87 ASN H . . 4.680 4.299 3.776 4.624 . 0 0 "[ . 1 . 2]" 1
1176 1 86 LEU H 1 92 LYS HA . . 5.180 4.778 4.394 5.250 0.070 1 0 "[ . 1 . 2]" 1
1177 1 86 LEU H 1 93 ILE H . . 3.710 3.325 2.827 3.770 0.060 11 0 "[ . 1 . 2]" 1
1178 1 86 LEU H 1 93 ILE HB . . 3.650 2.947 2.315 3.696 0.046 12 0 "[ . 1 . 2]" 1
1179 1 86 LEU H 1 93 ILE MG . . 5.190 4.132 3.457 5.115 . 0 0 "[ . 1 . 2]" 1
1180 1 86 LEU HA 1 86 LEU QD . . 2.870 2.163 2.008 2.376 . 0 0 "[ . 1 . 2]" 1
1181 1 86 LEU HA 1 86 LEU HG . . 3.800 3.180 2.628 3.853 0.053 1 0 "[ . 1 . 2]" 1
1182 1 86 LEU HA 1 87 ASN H . . 3.260 2.193 2.077 2.475 . 0 0 "[ . 1 . 2]" 1
1183 1 86 LEU HA 1 93 ILE H . . 5.500 5.203 4.807 5.570 0.070 1 0 "[ . 1 . 2]" 1
1184 1 86 LEU HB2 1 86 LEU QD . . 3.090 2.233 2.088 2.534 . 0 0 "[ . 1 . 2]" 1
1185 1 86 LEU HB3 1 93 ILE H . . 3.740 2.824 2.329 3.806 0.066 14 0 "[ . 1 . 2]" 1
1186 1 86 LEU HB3 1 93 ILE MD . . 3.180 2.672 2.062 3.298 0.118 2 0 "[ . 1 . 2]" 1
1187 1 86 LEU QD 1 87 ASN H . . 3.560 2.361 1.644 3.361 . 0 0 "[ . 1 . 2]" 1
1188 1 86 LEU QD 1 88 GLU H . . 3.800 2.792 1.743 3.581 . 0 0 "[ . 1 . 2]" 1
1189 1 86 LEU QD 1 88 GLU QB . . 5.070 2.256 1.996 2.622 . 0 0 "[ . 1 . 2]" 1
1190 1 86 LEU QD 1 88 GLU HG2 . . 2.980 2.314 1.824 2.860 . 0 0 "[ . 1 . 2]" 1
1191 1 86 LEU QD 1 88 GLU HG3 . . 3.730 2.048 1.835 2.484 . 0 0 "[ . 1 . 2]" 1
1192 1 86 LEU QD 1 91 HIS H . . 5.290 4.299 3.814 4.942 . 0 0 "[ . 1 . 2]" 1
1193 1 86 LEU QD 1 91 HIS HB2 . . 3.940 3.882 3.551 3.998 0.058 5 0 "[ . 1 . 2]" 1
1194 1 86 LEU QD 1 91 HIS HB3 . . 3.770 2.639 2.257 2.897 . 0 0 "[ . 1 . 2]" 1
1195 1 86 LEU QD 1 91 HIS HE1 . . 3.870 3.535 2.903 3.925 0.055 10 0 "[ . 1 . 2]" 1
1196 1 86 LEU QD 1 92 LYS H . . 5.500 4.154 3.503 5.102 . 0 0 "[ . 1 . 2]" 1
1197 1 86 LEU QD 1 92 LYS HA . . 4.050 3.230 2.212 4.025 . 0 0 "[ . 1 . 2]" 1
1198 1 86 LEU QD 1 93 ILE H . . 4.240 3.598 2.927 4.148 . 0 0 "[ . 1 . 2]" 1
1199 1 86 LEU QD 1 93 ILE MD . . 3.220 2.222 1.902 2.936 . 0 0 "[ . 1 . 2]" 1
1200 1 86 LEU HG 1 87 ASN H . . 4.080 3.200 2.212 4.163 0.083 15 0 "[ . 1 . 2]" 1
1201 1 86 LEU HG 1 88 GLU H . . 5.470 3.037 1.673 5.177 . 0 0 "[ . 1 . 2]" 1
1202 1 86 LEU HG 1 88 GLU HG2 . . 3.710 3.208 2.342 3.803 0.093 10 0 "[ . 1 . 2]" 1
1203 1 86 LEU HG 1 88 GLU HG3 . . 3.830 3.276 2.556 3.922 0.092 10 0 "[ . 1 . 2]" 1
1204 1 87 ASN H 1 88 GLU H . . 4.380 3.128 2.317 3.779 . 0 0 "[ . 1 . 2]" 1
1205 1 87 ASN H 1 88 GLU HG2 . . 4.710 3.895 3.190 4.443 . 0 0 "[ . 1 . 2]" 1
1206 1 87 ASN HA 1 88 GLU H . . 3.280 2.647 2.319 3.050 . 0 0 "[ . 1 . 2]" 1
1207 1 88 GLU H 1 88 GLU QB . . 3.240 2.160 1.998 2.310 . 0 0 "[ . 1 . 2]" 1
1208 1 88 GLU H 1 88 GLU HG2 . . 4.230 3.171 2.717 3.528 . 0 0 "[ . 1 . 2]" 1
1209 1 88 GLU H 1 88 GLU HG3 . . 3.900 3.835 3.139 3.985 0.085 4 0 "[ . 1 . 2]" 1
1210 1 88 GLU H 1 91 HIS H . . 4.490 4.327 3.692 4.558 0.068 20 0 "[ . 1 . 2]" 1
1211 1 88 GLU H 1 91 HIS HB3 . . 5.500 4.325 3.930 4.921 . 0 0 "[ . 1 . 2]" 1
1212 1 88 GLU HA 1 88 GLU HG2 . . 3.290 2.550 2.245 2.979 . 0 0 "[ . 1 . 2]" 1
1213 1 88 GLU HA 1 88 GLU HG3 . . 3.750 3.650 3.512 3.780 0.030 15 0 "[ . 1 . 2]" 1
1214 1 88 GLU HA 1 89 PRO HD2 . . 3.030 2.642 2.306 2.932 . 0 0 "[ . 1 . 2]" 1
1215 1 88 GLU HA 1 89 PRO HG2 . . 4.540 4.705 4.488 4.854 0.314 19 0 "[ . 1 . 2]" 1
1216 1 88 GLU HA 1 89 PRO HG3 . . 4.830 4.584 4.435 4.620 . 0 0 "[ . 1 . 2]" 1
1217 1 88 GLU QB 1 90 LYS H . . 4.820 3.046 2.625 3.519 . 0 0 "[ . 1 . 2]" 1
1218 1 88 GLU QB 1 91 HIS H . . 3.550 2.713 2.208 3.106 . 0 0 "[ . 1 . 2]" 1
1219 1 88 GLU QB 1 91 HIS HB2 . . 4.180 3.494 3.072 3.995 . 0 0 "[ . 1 . 2]" 1
1220 1 88 GLU QB 1 91 HIS HB3 . . 4.220 2.207 2.005 2.608 . 0 0 "[ . 1 . 2]" 1
1221 1 88 GLU HG2 1 89 PRO HD2 . . 4.160 4.007 3.232 4.407 0.247 5 0 "[ . 1 . 2]" 1
1222 1 89 PRO HB2 1 90 LYS H . . 3.750 3.037 2.850 3.246 . 0 0 "[ . 1 . 2]" 1
1223 1 89 PRO HB2 1 90 LYS QE . . 3.490 2.783 1.985 3.559 0.069 16 0 "[ . 1 . 2]" 1
1224 1 89 PRO HB3 1 90 LYS H . . 3.880 3.950 3.905 3.975 0.095 14 0 "[ . 1 . 2]" 1
1225 1 90 LYS H 1 90 LYS QG . . 4.490 3.722 2.625 4.212 . 0 0 "[ . 1 . 2]" 1
1226 1 90 LYS H 1 91 HIS H . . 3.190 2.598 2.337 2.952 . 0 0 "[ . 1 . 2]" 1
1227 1 90 LYS HA 1 90 LYS QE . . 2.550 2.369 2.112 2.644 0.094 17 0 "[ . 1 . 2]" 1
1228 1 90 LYS HA 1 90 LYS QG . . 3.840 2.506 2.103 3.083 . 0 0 "[ . 1 . 2]" 1
1229 1 90 LYS HA 1 111 LEU H . . 4.550 3.899 3.457 4.401 . 0 0 "[ . 1 . 2]" 1
1230 1 90 LYS HA 1 111 LEU HB2 . . 3.820 3.288 2.836 3.756 . 0 0 "[ . 1 . 2]" 1
1231 1 90 LYS HA 1 111 LEU HB3 . . 4.450 3.810 2.478 4.518 0.068 19 0 "[ . 1 . 2]" 1
1232 1 90 LYS QB 1 90 LYS QE . . 3.270 3.156 2.100 3.381 0.111 19 0 "[ . 1 . 2]" 1
1233 1 90 LYS QB 1 111 LEU HB2 . . 4.650 3.679 2.440 4.696 0.046 4 0 "[ . 1 . 2]" 1
1234 1 90 LYS QB 1 111 LEU HB3 . . 4.090 3.141 2.097 4.174 0.084 17 0 "[ . 1 . 2]" 1
1235 1 90 LYS QB 1 111 LEU QD . . 4.140 3.771 3.378 4.166 0.026 16 0 "[ . 1 . 2]" 1
1236 1 90 LYS QE 1 111 LEU QD . . 3.530 2.787 1.969 3.487 . 0 0 "[ . 1 . 2]" 1
1237 1 90 LYS QG 1 111 LEU QD . . 3.250 2.501 1.969 3.341 0.091 19 0 "[ . 1 . 2]" 1
1238 1 91 HIS H 1 91 HIS HB2 . . 3.890 3.177 2.894 3.559 . 0 0 "[ . 1 . 2]" 1
1239 1 91 HIS H 1 91 HIS HB3 . . 3.850 2.760 2.547 3.317 . 0 0 "[ . 1 . 2]" 1
1240 1 91 HIS H 1 92 LYS H . . 4.730 4.131 3.429 4.377 . 0 0 "[ . 1 . 2]" 1
1241 1 91 HIS H 1 92 LYS HA . . 4.680 4.623 4.104 4.753 0.073 3 0 "[ . 1 . 2]" 1
1242 1 91 HIS H 1 92 LYS QB . . 4.950 4.339 3.673 4.809 . 0 0 "[ . 1 . 2]" 1
1243 1 91 HIS H 1 111 LEU H . . 5.250 5.161 4.763 5.340 0.090 14 0 "[ . 1 . 2]" 1
1244 1 91 HIS HA 1 91 HIS HD2 . . 3.300 2.450 2.166 2.705 . 0 0 "[ . 1 . 2]" 1
1245 1 91 HIS HA 1 92 LYS H . . 3.180 2.310 2.156 2.516 . 0 0 "[ . 1 . 2]" 1
1246 1 91 HIS HA 1 93 ILE MD . . 5.460 5.191 4.105 5.571 0.111 15 0 "[ . 1 . 2]" 1
1247 1 91 HIS HA 1 109 PHE H . . 5.160 4.696 4.286 5.161 0.001 2 0 "[ . 1 . 2]" 1
1248 1 91 HIS HA 1 110 GLU H . . 5.500 5.036 4.843 5.517 0.017 15 0 "[ . 1 . 2]" 1
1249 1 91 HIS HA 1 110 GLU HA . . 3.460 2.550 2.298 3.259 . 0 0 "[ . 1 . 2]" 1
1250 1 91 HIS HA 1 110 GLU HB3 . . 4.620 4.654 4.491 4.707 0.087 10 0 "[ . 1 . 2]" 1
1251 1 91 HIS HA 1 110 GLU HG3 . . 5.380 3.518 2.508 4.039 . 0 0 "[ . 1 . 2]" 1
1252 1 91 HIS HA 1 111 LEU H . . 4.500 3.888 3.540 4.576 0.076 15 0 "[ . 1 . 2]" 1
1253 1 91 HIS HD2 1 92 LYS H . . 3.820 2.450 1.875 3.885 0.065 5 0 "[ . 1 . 2]" 1
1254 1 91 HIS HD2 1 93 ILE MD . . 4.300 3.619 2.323 4.381 0.081 6 0 "[ . 1 . 2]" 1
1255 1 91 HIS HD2 1 109 PHE H . . 5.030 3.696 2.870 4.778 . 0 0 "[ . 1 . 2]" 1
1256 1 91 HIS HD2 1 110 GLU HG2 . . 3.940 3.206 2.520 4.081 0.141 11 0 "[ . 1 . 2]" 1
1257 1 91 HIS HD2 1 110 GLU HG3 . . 4.210 2.803 2.287 3.913 . 0 0 "[ . 1 . 2]" 1
1258 1 91 HIS HE1 1 93 ILE MD . . 4.100 2.966 2.377 3.780 . 0 0 "[ . 1 . 2]" 1
1259 1 92 LYS H 1 93 ILE H . . 5.100 4.222 3.627 4.491 . 0 0 "[ . 1 . 2]" 1
1260 1 92 LYS H 1 109 PHE H . . 4.200 2.998 2.661 3.515 . 0 0 "[ . 1 . 2]" 1
1261 1 92 LYS H 1 110 GLU HA . . 4.980 3.780 3.436 4.470 . 0 0 "[ . 1 . 2]" 1
1262 1 92 LYS HA 1 93 ILE H . . 3.330 2.243 2.028 2.377 . 0 0 "[ . 1 . 2]" 1
1263 1 92 LYS HA 1 93 ILE QG . . 4.250 3.802 3.396 4.338 0.088 12 0 "[ . 1 . 2]" 1
1264 1 92 LYS QB 1 109 PHE H . . 5.500 3.808 2.540 4.946 . 0 0 "[ . 1 . 2]" 1
1265 1 93 ILE H 1 93 ILE HB . . 3.650 2.631 2.462 2.877 . 0 0 "[ . 1 . 2]" 1
1266 1 93 ILE HA 1 93 ILE MD . . 4.230 3.418 2.093 3.986 . 0 0 "[ . 1 . 2]" 1
1267 1 93 ILE HA 1 93 ILE MG . . 3.540 2.435 2.208 2.575 . 0 0 "[ . 1 . 2]" 1
1268 1 93 ILE HA 1 94 PHE H . . 3.240 2.257 2.122 2.464 . 0 0 "[ . 1 . 2]" 1
1269 1 93 ILE HB 1 93 ILE MD . . 3.230 2.572 2.180 3.295 0.065 5 0 "[ . 1 . 2]" 1
1270 1 93 ILE QG 1 94 PHE H . . 5.430 4.324 3.933 4.931 . 0 0 "[ . 1 . 2]" 1
1271 1 93 ILE MG 1 94 PHE H . . 4.040 2.644 2.021 3.495 . 0 0 "[ . 1 . 2]" 1
1272 1 93 ILE MG 1 95 GLU H . . 5.230 4.006 3.327 4.584 . 0 0 "[ . 1 . 2]" 1
1273 1 93 ILE MG 1 95 GLU HG2 . . 4.330 3.494 1.981 4.421 0.091 12 0 "[ . 1 . 2]" 1
1274 1 93 ILE MG 1 95 GLU HG3 . . 4.210 3.377 2.015 4.275 0.065 16 0 "[ . 1 . 2]" 1
1275 1 94 PHE H 1 94 PHE QD . . 4.940 4.307 4.086 4.507 . 0 0 "[ . 1 . 2]" 1
1276 1 94 PHE H 1 95 GLU H . . 5.260 4.158 3.752 4.409 . 0 0 "[ . 1 . 2]" 1
1277 1 94 PHE H 1 107 VAL H . . 4.060 3.237 2.873 3.748 . 0 0 "[ . 1 . 2]" 1
1278 1 94 PHE H 1 107 VAL HB . . 5.370 4.685 3.492 5.457 0.087 18 0 "[ . 1 . 2]" 1
1279 1 94 PHE H 1 107 VAL QG . . 5.500 3.860 2.484 4.991 . 0 0 "[ . 1 . 2]" 1
1280 1 94 PHE HA 1 94 PHE QD . . 4.360 2.598 1.998 3.190 . 0 0 "[ . 1 . 2]" 1
1281 1 94 PHE HA 1 95 GLU H . . 3.150 2.228 2.156 2.323 . 0 0 "[ . 1 . 2]" 1
1282 1 94 PHE QD 1 95 GLU H . . 4.530 3.567 2.907 4.215 . 0 0 "[ . 1 . 2]" 1
1283 1 94 PHE QD 1 105 LEU QD . . 3.890 2.871 2.006 3.892 0.002 5 0 "[ . 1 . 2]" 1
1284 1 94 PHE QD 1 105 LEU HG . . 5.090 4.363 2.960 5.140 0.050 5 0 "[ . 1 . 2]" 1
1285 1 94 PHE QD 1 107 VAL HB . . 4.970 3.845 2.269 5.068 0.098 8 0 "[ . 1 . 2]" 1
1286 1 94 PHE QD 1 107 VAL QG . . 3.650 2.873 2.137 3.673 0.023 16 0 "[ . 1 . 2]" 1
1287 1 94 PHE QE 1 105 LEU QD . . 3.390 2.612 2.149 3.422 0.032 5 0 "[ . 1 . 2]" 1
1288 1 94 PHE HZ 1 105 LEU QD . . 4.950 4.238 3.613 4.793 . 0 0 "[ . 1 . 2]" 1
1289 1 95 GLU H 1 95 GLU QB . . 3.720 2.878 2.506 3.189 . 0 0 "[ . 1 . 2]" 1
1290 1 95 GLU H 1 95 GLU HG2 . . 4.690 3.726 2.258 4.702 0.012 12 0 "[ . 1 . 2]" 1
1291 1 95 GLU H 1 95 GLU HG3 . . 4.870 2.748 2.001 4.694 . 0 0 "[ . 1 . 2]" 1
1292 1 95 GLU H 1 96 ALA H . . 4.970 4.392 4.191 4.519 . 0 0 "[ . 1 . 2]" 1
1293 1 95 GLU HA 1 95 GLU HG2 . . 4.210 3.644 2.435 4.253 0.043 17 0 "[ . 1 . 2]" 1
1294 1 95 GLU HA 1 95 GLU HG3 . . 3.940 3.698 3.165 4.253 0.313 5 0 "[ . 1 . 2]" 1
1295 1 95 GLU HA 1 96 ALA H . . 2.990 2.273 2.138 2.408 . 0 0 "[ . 1 . 2]" 1
1296 1 95 GLU HA 1 96 ALA MB . . 4.690 3.969 3.772 4.117 . 0 0 "[ . 1 . 2]" 1
1297 1 95 GLU HA 1 103 VAL QG . . 4.130 3.884 3.207 4.131 0.001 14 0 "[ . 1 . 2]" 1
1298 1 95 GLU HA 1 106 ARG H . . 4.950 4.927 4.774 5.037 0.087 16 0 "[ . 1 . 2]" 1
1299 1 95 GLU HA 1 106 ARG HA . . 3.510 2.423 2.182 2.959 . 0 0 "[ . 1 . 2]" 1
1300 1 95 GLU HA 1 107 VAL H . . 4.070 3.643 3.453 3.949 . 0 0 "[ . 1 . 2]" 1
1301 1 95 GLU QB 1 96 ALA H . . 4.840 2.913 2.504 3.605 . 0 0 "[ . 1 . 2]" 1
1302 1 95 GLU QB 1 103 VAL QG . . 3.090 2.597 2.100 3.094 0.004 12 0 "[ . 1 . 2]" 1
1303 1 95 GLU QB 1 106 ARG HA . . 4.080 3.580 2.975 3.984 . 0 0 "[ . 1 . 2]" 1
1304 1 95 GLU QB 1 106 ARG QD . . 3.270 2.431 1.917 3.056 . 0 0 "[ . 1 . 2]" 1
1305 1 96 ALA H 1 96 ALA MB . . 3.390 2.665 2.353 2.848 . 0 0 "[ . 1 . 2]" 1
1306 1 96 ALA H 1 97 GLY H . . 4.920 4.263 3.906 4.546 . 0 0 "[ . 1 . 2]" 1
1307 1 96 ALA H 1 103 VAL HB . . 5.030 3.580 3.342 3.845 . 0 0 "[ . 1 . 2]" 1
1308 1 96 ALA H 1 103 VAL QG . . 3.820 3.131 2.500 3.773 . 0 0 "[ . 1 . 2]" 1
1309 1 96 ALA H 1 104 ASP H . . 5.330 4.029 3.603 4.539 . 0 0 "[ . 1 . 2]" 1
1310 1 96 ALA H 1 105 LEU H . . 3.840 3.276 2.953 3.690 . 0 0 "[ . 1 . 2]" 1
1311 1 96 ALA H 1 106 ARG HA . . 4.520 3.718 3.130 4.411 . 0 0 "[ . 1 . 2]" 1
1312 1 96 ALA H 1 107 VAL H . . 5.500 5.481 5.031 5.593 0.093 12 0 "[ . 1 . 2]" 1
1313 1 96 ALA HA 1 97 GLY H . . 2.990 2.223 2.147 2.462 . 0 0 "[ . 1 . 2]" 1
1314 1 96 ALA MB 1 97 GLY H . . 3.410 2.894 2.322 3.471 0.061 20 0 "[ . 1 . 2]" 1
1315 1 96 ALA MB 1 104 ASP H . . 5.500 3.892 3.274 4.508 . 0 0 "[ . 1 . 2]" 1
1316 1 96 ALA MB 1 105 LEU H . . 4.000 3.480 3.026 3.904 . 0 0 "[ . 1 . 2]" 1
1317 1 96 ALA MB 1 105 LEU HB3 . . 4.530 2.191 1.994 2.840 . 0 0 "[ . 1 . 2]" 1
1318 1 96 ALA MB 1 105 LEU QD . . 3.490 2.631 2.131 3.030 . 0 0 "[ . 1 . 2]" 1
1319 1 97 GLY H 1 98 TYR H . . 4.530 4.262 2.844 4.450 . 0 0 "[ . 1 . 2]" 1
1320 1 97 GLY H 1 104 ASP H . . 4.940 4.637 4.274 4.944 0.004 12 0 "[ . 1 . 2]" 1
1321 1 97 GLY HA2 1 98 TYR H . . 3.380 2.636 2.351 2.954 . 0 0 "[ . 1 . 2]" 1
1322 1 97 GLY HA2 1 104 ASP H . . 3.870 3.196 2.551 3.944 0.074 12 0 "[ . 1 . 2]" 1
1323 1 97 GLY HA2 1 105 LEU H . . 5.500 4.756 4.296 5.516 0.016 2 0 "[ . 1 . 2]" 1
1324 1 97 GLY HA3 1 98 TYR H . . 3.420 2.581 2.350 3.466 0.046 10 0 "[ . 1 . 2]" 1
1325 1 97 GLY HA3 1 104 ASP H . . 4.080 3.222 2.541 3.695 . 0 0 "[ . 1 . 2]" 1
1326 1 98 TYR H 1 98 TYR HB2 . . 3.380 2.253 2.146 2.790 . 0 0 "[ . 1 . 2]" 1
1327 1 98 TYR H 1 98 TYR HB3 . . 3.640 3.524 3.456 3.727 0.087 10 0 "[ . 1 . 2]" 1
1328 1 98 TYR H 1 98 TYR QD . . 3.710 3.098 2.358 3.531 . 0 0 "[ . 1 . 2]" 1
1329 1 98 TYR H 1 99 GLU H . . 4.540 4.587 4.508 4.612 0.072 15 0 "[ . 1 . 2]" 1
1330 1 98 TYR H 1 100 GLU H . . 5.220 5.117 4.616 5.288 0.068 17 0 "[ . 1 . 2]" 1
1331 1 98 TYR H 1 101 SER H . . 5.200 4.335 3.979 5.197 . 0 0 "[ . 1 . 2]" 1
1332 1 98 TYR H 1 101 SER HB3 . . 4.790 4.037 2.636 5.726 0.936 15 1 "[ . 1 + 2]" 1
1333 1 98 TYR H 1 102 GLU H . . 5.500 4.903 4.160 5.581 0.081 10 0 "[ . 1 . 2]" 1
1334 1 98 TYR HA 1 98 TYR QD . . 3.660 2.460 2.062 3.024 . 0 0 "[ . 1 . 2]" 1
1335 1 98 TYR HA 1 99 GLU H . . 3.030 2.244 2.163 2.524 . 0 0 "[ . 1 . 2]" 1
1336 1 98 TYR HB2 1 99 GLU H . . 4.450 4.191 3.729 4.449 . 0 0 "[ . 1 . 2]" 1
1337 1 98 TYR HB2 1 101 SER H . . 4.770 3.228 2.094 3.953 . 0 0 "[ . 1 . 2]" 1
1338 1 98 TYR HB2 1 101 SER HB2 . . 4.310 2.255 1.990 2.756 . 0 0 "[ . 1 . 2]" 1
1339 1 98 TYR HB2 1 101 SER HB3 . . 4.210 2.667 2.044 3.878 . 0 0 "[ . 1 . 2]" 1
1340 1 98 TYR HB3 1 99 GLU H . . 3.990 3.033 2.414 3.455 . 0 0 "[ . 1 . 2]" 1
1341 1 98 TYR HB3 1 100 GLU H . . 3.940 2.525 1.903 2.956 . 0 0 "[ . 1 . 2]" 1
1342 1 98 TYR HB3 1 101 SER H . . 5.060 3.144 2.039 4.597 . 0 0 "[ . 1 . 2]" 1
1343 1 98 TYR HB3 1 101 SER HB2 . . 4.490 2.691 2.295 3.318 . 0 0 "[ . 1 . 2]" 1
1344 1 98 TYR HB3 1 101 SER HB3 . . 4.310 3.800 3.135 4.559 0.249 3 0 "[ . 1 . 2]" 1
1345 1 98 TYR QD 1 99 GLU H . . 4.560 3.121 2.889 3.356 . 0 0 "[ . 1 . 2]" 1
1346 1 99 GLU H 1 99 GLU HA . . 2.840 2.823 2.758 2.903 0.063 10 0 "[ . 1 . 2]" 1
1347 1 99 GLU H 1 99 GLU HB2 . . 3.050 2.140 1.980 2.369 . 0 0 "[ . 1 . 2]" 1
1348 1 99 GLU H 1 99 GLU HB3 . . 3.100 2.932 2.538 3.164 0.064 12 0 "[ . 1 . 2]" 1
1349 1 99 GLU HA 1 99 GLU QG . . 2.960 2.294 2.056 2.698 . 0 0 "[ . 1 . 2]" 1
1350 1 100 GLU H 1 100 GLU HB2 . . 4.200 2.896 2.361 4.013 . 0 0 "[ . 1 . 2]" 1
1351 1 100 GLU H 1 100 GLU QG . . 3.330 2.895 2.328 3.446 0.116 17 0 "[ . 1 . 2]" 1
1352 1 100 GLU H 1 101 SER H . . 3.130 2.521 2.035 3.164 0.034 1 0 "[ . 1 . 2]" 1
1353 1 100 GLU HA 1 101 SER H . . 3.370 3.033 2.492 3.456 0.086 17 0 "[ . 1 . 2]" 1
1354 1 101 SER H 1 101 SER HB2 . . 3.850 2.939 2.331 3.238 . 0 0 "[ . 1 . 2]" 1
1355 1 101 SER H 1 101 SER HB3 . . 3.870 3.527 2.876 3.919 0.049 15 0 "[ . 1 . 2]" 1
1356 1 101 SER H 1 102 GLU H . . 4.410 4.276 4.174 4.461 0.051 17 0 "[ . 1 . 2]" 1
1357 1 101 SER HA 1 102 GLU H . . 2.970 2.805 2.653 3.027 0.057 11 0 "[ . 1 . 2]" 1
1358 1 101 SER HB2 1 102 GLU H . . 3.550 3.439 2.502 3.626 0.076 12 0 "[ . 1 . 2]" 1
1359 1 101 SER HB3 1 102 GLU H . . 3.030 2.187 1.933 2.506 . 0 0 "[ . 1 . 2]" 1
1360 1 101 SER HB3 1 102 GLU HB2 . . 4.810 4.757 3.506 5.730 0.920 19 9 "[** *. **1* . * +-]" 1
1361 1 102 GLU H 1 102 GLU HB2 . . 2.860 2.845 1.969 3.818 0.958 8 9 "[** -. +*1* . * **]" 1
1362 1 102 GLU H 1 102 GLU HG2 . . 3.650 3.147 1.997 4.469 0.819 10 1 "[ . + . 2]" 1
1363 1 102 GLU HA 1 102 GLU HB2 . . 2.810 2.636 2.172 2.911 0.101 13 0 "[ . 1 . 2]" 1
1364 1 102 GLU HA 1 102 GLU HB3 . . 2.720 2.570 2.315 2.812 0.092 18 0 "[ . 1 . 2]" 1
1365 1 102 GLU HA 1 102 GLU HG2 . . 3.280 2.969 2.195 4.120 0.840 2 3 "[ + . * 1- . 2]" 1
1366 1 102 GLU HA 1 103 VAL H . . 2.750 2.396 2.279 2.611 . 0 0 "[ . 1 . 2]" 1
1367 1 102 GLU HA 1 103 VAL QG . . 3.780 3.408 3.269 3.541 . 0 0 "[ . 1 . 2]" 1
1368 1 102 GLU HB2 1 102 GLU HG2 . . 2.940 2.741 2.374 3.039 0.099 10 0 "[ . 1 . 2]" 1
1369 1 102 GLU HB3 1 103 VAL H . . 2.930 3.100 2.230 3.929 0.999 9 9 "[** *. *+1* . * *-]" 1
1370 1 102 GLU HG2 1 103 VAL QG . . 5.270 4.516 3.856 5.245 . 0 0 "[ . 1 . 2]" 1
1371 1 103 VAL H 1 103 VAL QG . . 2.820 1.884 1.771 2.025 . 0 0 "[ . 1 . 2]" 1
1372 1 103 VAL H 1 104 ASP H . . 4.740 4.555 4.415 4.690 . 0 0 "[ . 1 . 2]" 1
1373 1 103 VAL HA 1 103 VAL QG . . 3.060 2.203 2.125 2.315 . 0 0 "[ . 1 . 2]" 1
1374 1 103 VAL HA 1 104 ASP H . . 3.060 2.291 2.069 2.411 . 0 0 "[ . 1 . 2]" 1
1375 1 103 VAL HA 1 104 ASP HB2 . . 4.700 4.166 3.893 4.561 . 0 0 "[ . 1 . 2]" 1
1376 1 103 VAL HA 1 105 LEU H . . 3.900 3.747 3.309 3.970 0.070 16 0 "[ . 1 . 2]" 1
1377 1 103 VAL HB 1 104 ASP H . . 3.520 2.532 2.236 3.010 . 0 0 "[ . 1 . 2]" 1
1378 1 103 VAL HB 1 105 LEU H . . 3.400 2.476 2.118 2.803 . 0 0 "[ . 1 . 2]" 1
1379 1 103 VAL QG 1 104 ASP H . . 3.600 3.177 3.032 3.411 . 0 0 "[ . 1 . 2]" 1
1380 1 103 VAL QG 1 104 ASP HB2 . . 5.490 4.881 4.713 5.000 . 0 0 "[ . 1 . 2]" 1
1381 1 103 VAL QG 1 105 LEU H . . 3.750 3.379 3.069 3.573 . 0 0 "[ . 1 . 2]" 1
1382 1 103 VAL QG 1 106 ARG HA . . 5.500 4.258 3.850 4.547 . 0 0 "[ . 1 . 2]" 1
1383 1 103 VAL QG 1 106 ARG QB . . 5.050 3.647 3.283 3.923 . 0 0 "[ . 1 . 2]" 1
1384 1 103 VAL QG 1 106 ARG QD . . 4.620 2.171 1.852 3.221 . 0 0 "[ . 1 . 2]" 1
1385 1 103 VAL QG 1 106 ARG QG . . 4.390 2.075 1.859 2.253 . 0 0 "[ . 1 . 2]" 1
1386 1 103 VAL QG 1 123 TYR QD . . 3.210 3.021 2.585 3.304 0.094 6 0 "[ . 1 . 2]" 1
1387 1 103 VAL QG 1 123 TYR QE . . 3.920 2.239 2.036 2.494 . 0 0 "[ . 1 . 2]" 1
1388 1 104 ASP H 1 104 ASP HB2 . . 3.810 2.760 2.197 3.013 . 0 0 "[ . 1 . 2]" 1
1389 1 104 ASP H 1 104 ASP HB3 . . 3.990 2.890 2.494 3.497 . 0 0 "[ . 1 . 2]" 1
1390 1 104 ASP H 1 105 LEU H . . 3.170 1.887 1.748 2.186 . 0 0 "[ . 1 . 2]" 1
1391 1 104 ASP H 1 105 LEU HB2 . . 5.500 4.714 4.097 4.985 . 0 0 "[ . 1 . 2]" 1
1392 1 104 ASP HA 1 123 TYR QD . . 4.370 4.243 3.881 4.455 0.085 20 0 "[ . 1 . 2]" 1
1393 1 104 ASP HA 1 123 TYR QE . . 3.820 3.147 2.363 3.889 0.069 14 0 "[ . 1 . 2]" 1
1394 1 104 ASP HA 1 125 GLY H . . 3.930 3.750 2.997 4.012 0.082 6 0 "[ . 1 . 2]" 1
1395 1 104 ASP HB2 1 105 LEU H . . 4.050 3.985 3.169 4.134 0.084 11 0 "[ . 1 . 2]" 1
1396 1 104 ASP HB3 1 105 LEU H . . 4.020 3.384 2.704 3.756 . 0 0 "[ . 1 . 2]" 1
1397 1 104 ASP HB3 1 125 GLY H . . 5.500 4.806 4.184 5.447 . 0 0 "[ . 1 . 2]" 1
1398 1 105 LEU H 1 105 LEU HB2 . . 3.830 3.375 3.059 3.663 . 0 0 "[ . 1 . 2]" 1
1399 1 105 LEU H 1 106 ARG H . . 4.960 4.115 3.822 4.316 . 0 0 "[ . 1 . 2]" 1
1400 1 105 LEU H 1 106 ARG QG . . 4.160 3.723 3.158 4.194 0.034 1 0 "[ . 1 . 2]" 1
1401 1 105 LEU HA 1 105 LEU QD . . 3.090 2.318 2.139 2.814 . 0 0 "[ . 1 . 2]" 1
1402 1 105 LEU HA 1 106 ARG H . . 3.210 2.214 2.123 2.312 . 0 0 "[ . 1 . 2]" 1
1403 1 105 LEU HA 1 106 ARG QG . . 4.310 4.248 3.683 4.410 0.100 12 0 "[ . 1 . 2]" 1
1404 1 105 LEU HA 1 123 TYR H . . 5.500 4.744 4.099 5.415 . 0 0 "[ . 1 . 2]" 1
1405 1 105 LEU HA 1 123 TYR QD . . 4.890 3.030 2.496 3.996 . 0 0 "[ . 1 . 2]" 1
1406 1 105 LEU HA 1 124 THR H . . 5.500 4.499 4.025 4.872 . 0 0 "[ . 1 . 2]" 1
1407 1 105 LEU HA 1 124 THR HA . . 3.680 2.480 2.129 2.718 . 0 0 "[ . 1 . 2]" 1
1408 1 105 LEU HA 1 124 THR HB . . 4.870 3.896 3.273 4.366 . 0 0 "[ . 1 . 2]" 1
1409 1 105 LEU HA 1 125 GLY H . . 4.520 4.164 3.808 4.384 . 0 0 "[ . 1 . 2]" 1
1410 1 105 LEU HB2 1 105 LEU QD . . 3.050 2.200 1.927 2.369 . 0 0 "[ . 1 . 2]" 1
1411 1 105 LEU QD 1 106 ARG H . . 3.500 2.788 2.022 3.513 0.013 12 0 "[ . 1 . 2]" 1
1412 1 105 LEU QD 1 124 THR HA . . 3.580 2.903 2.253 3.266 . 0 0 "[ . 1 . 2]" 1
1413 1 105 LEU QD 1 124 THR HB . . 3.500 2.650 2.019 3.137 . 0 0 "[ . 1 . 2]" 1
1414 1 105 LEU QD 1 124 THR MG . . 3.910 3.812 3.345 3.983 0.073 8 0 "[ . 1 . 2]" 1
1415 1 105 LEU QD 1 125 GLY H . . 4.690 4.415 3.781 4.690 0.000 1 0 "[ . 1 . 2]" 1
1416 1 105 LEU HG 1 107 VAL QG . . 3.140 2.942 2.345 3.254 0.114 16 0 "[ . 1 . 2]" 1
1417 1 106 ARG H 1 123 TYR H . . 3.930 3.082 2.650 3.634 . 0 0 "[ . 1 . 2]" 1
1418 1 106 ARG H 1 123 TYR HB3 . . 4.520 2.329 1.960 3.252 . 0 0 "[ . 1 . 2]" 1
1419 1 106 ARG H 1 123 TYR QD . . 4.630 2.961 2.170 3.771 . 0 0 "[ . 1 . 2]" 1
1420 1 106 ARG H 1 124 THR H . . 5.500 4.789 4.501 5.054 . 0 0 "[ . 1 . 2]" 1
1421 1 106 ARG H 1 124 THR HA . . 4.060 3.971 3.658 4.137 0.077 8 0 "[ . 1 . 2]" 1
1422 1 106 ARG H 1 124 THR HB . . 5.500 4.752 4.198 5.179 . 0 0 "[ . 1 . 2]" 1
1423 1 106 ARG HA 1 106 ARG QD . . 4.470 3.210 2.207 3.872 . 0 0 "[ . 1 . 2]" 1
1424 1 106 ARG HA 1 107 VAL H . . 3.120 2.224 2.063 2.516 . 0 0 "[ . 1 . 2]" 1
1425 1 106 ARG QB 1 107 VAL H . . 4.350 2.974 2.403 3.404 . 0 0 "[ . 1 . 2]" 1
1426 1 106 ARG QB 1 123 TYR H . . 3.570 3.422 2.897 3.640 0.070 4 0 "[ . 1 . 2]" 1
1427 1 106 ARG QD 1 107 VAL H . . 4.800 4.322 3.659 4.822 0.022 1 0 "[ . 1 . 2]" 1
1428 1 106 ARG QG 1 107 VAL H . . 4.810 4.343 3.788 4.880 0.070 13 0 "[ . 1 . 2]" 1
1429 1 107 VAL H 1 107 VAL HB . . 3.930 3.257 2.784 3.977 0.047 8 0 "[ . 1 . 2]" 1
1430 1 107 VAL H 1 107 VAL QG . . 3.480 2.698 2.208 3.073 . 0 0 "[ . 1 . 2]" 1
1431 1 107 VAL H 1 108 GLU H . . 5.200 4.246 3.559 4.396 . 0 0 "[ . 1 . 2]" 1
1432 1 107 VAL H 1 121 ASP QB . . 4.340 4.185 3.721 4.297 . 0 0 "[ . 1 . 2]" 1
1433 1 107 VAL HA 1 107 VAL QG . . 3.160 2.222 2.075 2.506 . 0 0 "[ . 1 . 2]" 1
1434 1 107 VAL HA 1 108 GLU H . . 3.200 2.337 2.162 2.577 . 0 0 "[ . 1 . 2]" 1
1435 1 107 VAL HA 1 123 TYR H . . 4.510 3.855 3.647 4.069 . 0 0 "[ . 1 . 2]" 1
1436 1 107 VAL HB 1 109 PHE QE . . 3.960 3.715 2.508 4.082 0.122 18 0 "[ . 1 . 2]" 1
1437 1 107 VAL QG 1 108 GLU H . . 3.970 2.565 2.164 3.348 . 0 0 "[ . 1 . 2]" 1
1438 1 107 VAL QG 1 108 GLU HA . . 5.500 3.703 3.243 4.229 . 0 0 "[ . 1 . 2]" 1
1439 1 107 VAL QG 1 109 PHE QE . . 3.390 2.396 1.849 3.215 . 0 0 "[ . 1 . 2]" 1
1440 1 107 VAL QG 1 121 ASP QB . . 4.450 3.460 2.616 3.724 . 0 0 "[ . 1 . 2]" 1
1441 1 107 VAL QG 1 122 CYS HA . . 4.560 2.961 2.073 3.820 . 0 0 "[ . 1 . 2]" 1
1442 1 107 VAL QG 1 122 CYS QB . . 5.500 4.030 3.302 4.748 . 0 0 "[ . 1 . 2]" 1
1443 1 107 VAL QG 1 123 TYR H . . 5.020 3.619 2.839 4.636 . 0 0 "[ . 1 . 2]" 1
1444 1 108 GLU H 1 108 GLU HB2 . . 3.680 2.827 2.613 3.766 0.086 14 0 "[ . 1 . 2]" 1
1445 1 108 GLU H 1 109 PHE H . . 4.770 4.349 4.109 4.601 . 0 0 "[ . 1 . 2]" 1
1446 1 108 GLU H 1 119 VAL QG . . 4.170 3.128 2.429 3.869 . 0 0 "[ . 1 . 2]" 1
1447 1 108 GLU H 1 121 ASP H . . 4.140 3.265 2.788 4.181 0.041 2 0 "[ . 1 . 2]" 1
1448 1 108 GLU H 1 121 ASP QB . . 4.720 2.234 1.826 3.311 . 0 0 "[ . 1 . 2]" 1
1449 1 108 GLU HA 1 109 PHE H . . 3.150 2.293 2.172 2.679 . 0 0 "[ . 1 . 2]" 1
1450 1 108 GLU HA 1 109 PHE HB2 . . 4.740 4.567 4.209 4.786 0.046 20 0 "[ . 1 . 2]" 1
1451 1 108 GLU HB2 1 120 VAL H . . 4.720 3.788 3.110 5.403 0.683 11 1 "[ . 1+ . 2]" 1
1452 1 108 GLU HB2 1 121 ASP QB . . 4.660 2.442 2.070 4.381 . 0 0 "[ . 1 . 2]" 1
1453 1 108 GLU HB3 1 109 PHE H . . 4.230 3.036 2.566 4.233 0.003 16 0 "[ . 1 . 2]" 1
1454 1 109 PHE H 1 109 PHE HB3 . . 4.130 3.803 3.620 3.965 . 0 0 "[ . 1 . 2]" 1
1455 1 109 PHE H 1 109 PHE QD . . 3.960 3.321 2.676 3.742 . 0 0 "[ . 1 . 2]" 1
1456 1 109 PHE H 1 110 GLU H . . 5.300 4.247 3.653 4.449 . 0 0 "[ . 1 . 2]" 1
1457 1 109 PHE HA 1 109 PHE QD . . 3.940 2.696 2.263 3.230 . 0 0 "[ . 1 . 2]" 1
1458 1 109 PHE HA 1 110 GLU H . . 3.060 2.221 2.117 2.352 . 0 0 "[ . 1 . 2]" 1
1459 1 109 PHE HA 1 118 TYR H . . 5.250 4.519 4.025 5.310 0.060 20 0 "[ . 1 . 2]" 1
1460 1 109 PHE HA 1 119 VAL HA . . 3.470 2.464 2.097 3.024 . 0 0 "[ . 1 . 2]" 1
1461 1 109 PHE HA 1 119 VAL QG . . 4.810 3.557 3.049 4.149 . 0 0 "[ . 1 . 2]" 1
1462 1 109 PHE HA 1 120 VAL H . . 3.660 3.189 2.763 3.687 0.027 11 0 "[ . 1 . 2]" 1
1463 1 109 PHE HA 1 120 VAL QG . . 4.120 2.922 2.403 3.554 . 0 0 "[ . 1 . 2]" 1
1464 1 109 PHE HA 1 121 ASP H . . 5.500 5.219 4.669 5.579 0.079 11 0 "[ . 1 . 2]" 1
1465 1 109 PHE HB2 1 110 GLU H . . 4.250 4.145 3.783 4.325 0.075 11 0 "[ . 1 . 2]" 1
1466 1 109 PHE HB3 1 110 GLU H . . 4.570 3.383 2.987 3.712 . 0 0 "[ . 1 . 2]" 1
1467 1 109 PHE QD 1 119 VAL H . . 5.420 4.420 3.666 5.280 . 0 0 "[ . 1 . 2]" 1
1468 1 109 PHE QD 1 119 VAL HA . . 4.440 2.734 2.109 3.732 . 0 0 "[ . 1 . 2]" 1
1469 1 109 PHE QE 1 119 VAL HA . . 4.840 4.255 3.609 4.911 0.071 20 0 "[ . 1 . 2]" 1
1470 1 109 PHE QE 1 119 VAL QG . . 3.450 2.307 1.943 2.899 . 0 0 "[ . 1 . 2]" 1
1471 1 110 GLU H 1 110 GLU HB2 . . 3.980 2.640 2.348 3.059 . 0 0 "[ . 1 . 2]" 1
1472 1 110 GLU H 1 110 GLU HB3 . . 3.950 3.560 2.893 3.747 . 0 0 "[ . 1 . 2]" 1
1473 1 110 GLU H 1 111 LEU H . . 4.810 4.344 4.220 4.513 . 0 0 "[ . 1 . 2]" 1
1474 1 110 GLU H 1 118 TYR H . . 3.920 3.235 2.869 3.992 0.072 20 0 "[ . 1 . 2]" 1
1475 1 110 GLU H 1 119 VAL HA . . 4.120 3.728 3.308 4.183 0.063 10 0 "[ . 1 . 2]" 1
1476 1 110 GLU H 1 120 VAL H . . 5.270 4.217 3.752 4.952 . 0 0 "[ . 1 . 2]" 1
1477 1 110 GLU H 1 120 VAL QG . . 5.400 2.681 2.188 3.410 . 0 0 "[ . 1 . 2]" 1
1478 1 110 GLU HA 1 110 GLU HG2 . . 4.170 2.420 2.040 3.071 . 0 0 "[ . 1 . 2]" 1
1479 1 110 GLU HA 1 110 GLU HG3 . . 4.220 2.902 2.457 3.478 . 0 0 "[ . 1 . 2]" 1
1480 1 110 GLU HA 1 111 LEU H . . 2.900 2.213 2.058 2.442 . 0 0 "[ . 1 . 2]" 1
1481 1 110 GLU HB2 1 120 VAL QG . . 3.280 2.277 1.953 2.730 . 0 0 "[ . 1 . 2]" 1
1482 1 110 GLU HB3 1 111 LEU H . . 3.840 3.089 2.527 3.882 0.042 10 0 "[ . 1 . 2]" 1
1483 1 110 GLU HB3 1 112 GLN QE . . 4.410 2.886 2.172 3.601 . 0 0 "[ . 1 . 2]" 1
1484 1 110 GLU HB3 1 120 VAL QG . . 3.810 3.370 2.543 3.714 . 0 0 "[ . 1 . 2]" 1
1485 1 110 GLU HG2 1 111 LEU H . . 4.590 3.577 2.499 4.144 . 0 0 "[ . 1 . 2]" 1
1486 1 110 GLU HG3 1 111 LEU H . . 4.750 4.579 3.268 4.826 0.076 9 0 "[ . 1 . 2]" 1
1487 1 110 GLU HG3 1 120 VAL QG . . 4.410 2.719 2.119 4.199 . 0 0 "[ . 1 . 2]" 1
1488 1 111 LEU H 1 111 LEU HB2 . . 3.620 2.550 2.091 2.940 . 0 0 "[ . 1 . 2]" 1
1489 1 111 LEU H 1 111 LEU HB3 . . 3.600 2.696 2.458 3.322 . 0 0 "[ . 1 . 2]" 1
1490 1 111 LEU H 1 111 LEU QD . . 5.090 3.796 3.553 3.915 . 0 0 "[ . 1 . 2]" 1
1491 1 111 LEU H 1 111 LEU HG . . 4.890 4.484 3.545 4.869 . 0 0 "[ . 1 . 2]" 1
1492 1 111 LEU H 1 112 GLN H . . 4.600 4.509 4.313 4.657 0.057 9 0 "[ . 1 . 2]" 1
1493 1 111 LEU HA 1 111 LEU QD . . 3.040 2.128 1.899 2.406 . 0 0 "[ . 1 . 2]" 1
1494 1 111 LEU HA 1 111 LEU HG . . 4.060 3.087 2.482 3.566 . 0 0 "[ . 1 . 2]" 1
1495 1 111 LEU HA 1 112 GLN H . . 3.130 2.192 2.013 2.404 . 0 0 "[ . 1 . 2]" 1
1496 1 111 LEU HA 1 112 GLN QB . . 4.370 4.352 3.875 4.452 0.082 1 0 "[ . 1 . 2]" 1
1497 1 111 LEU HA 1 118 TYR H . . 4.250 3.451 3.198 3.851 . 0 0 "[ . 1 . 2]" 1
1498 1 111 LEU HA 1 118 TYR QD . . 5.500 4.743 4.134 5.537 0.037 12 0 "[ . 1 . 2]" 1
1499 1 111 LEU HB2 1 111 LEU QD . . 3.160 2.400 2.077 2.640 . 0 0 "[ . 1 . 2]" 1
1500 1 111 LEU HB2 1 112 GLN H . . 4.630 4.281 3.962 4.448 . 0 0 "[ . 1 . 2]" 1
1501 1 111 LEU HB2 1 117 TRP HZ2 . . 4.680 3.803 3.164 4.782 0.102 2 0 "[ . 1 . 2]" 1
1502 1 111 LEU HB3 1 111 LEU QD . . 3.180 2.193 2.001 2.292 . 0 0 "[ . 1 . 2]" 1
1503 1 111 LEU HB3 1 112 GLN H . . 5.500 3.888 2.717 4.264 . 0 0 "[ . 1 . 2]" 1
1504 1 111 LEU QD 1 112 GLN H . . 3.490 2.480 1.943 3.404 . 0 0 "[ . 1 . 2]" 1
1505 1 111 LEU QD 1 112 GLN HA . . 5.370 4.187 3.461 4.859 . 0 0 "[ . 1 . 2]" 1
1506 1 111 LEU QD 1 114 ASP H . . 5.500 4.430 2.532 5.301 . 0 0 "[ . 1 . 2]" 1
1507 1 111 LEU QD 1 115 GLY H . . 4.630 3.135 2.325 3.996 . 0 0 "[ . 1 . 2]" 1
1508 1 111 LEU QD 1 115 GLY HA2 . . 3.960 2.683 2.064 3.595 . 0 0 "[ . 1 . 2]" 1
1509 1 111 LEU QD 1 115 GLY HA3 . . 4.970 3.755 3.255 4.509 . 0 0 "[ . 1 . 2]" 1
1510 1 111 LEU QD 1 116 LYS H . . 4.590 3.222 2.636 3.813 . 0 0 "[ . 1 . 2]" 1
1511 1 111 LEU QD 1 116 LYS HA . . 4.180 3.179 2.525 3.703 . 0 0 "[ . 1 . 2]" 1
1512 1 111 LEU QD 1 117 TRP H . . 4.980 3.197 2.896 3.634 . 0 0 "[ . 1 . 2]" 1
1513 1 111 LEU QD 1 117 TRP HD1 . . 4.020 3.082 2.705 3.770 . 0 0 "[ . 1 . 2]" 1
1514 1 111 LEU QD 1 117 TRP HE1 . . 3.440 2.959 2.402 3.432 . 0 0 "[ . 1 . 2]" 1
1515 1 111 LEU QD 1 117 TRP HZ2 . . 4.070 3.583 3.093 3.806 . 0 0 "[ . 1 . 2]" 1
1516 1 111 LEU QD 1 118 TYR H . . 5.500 4.308 3.899 4.906 . 0 0 "[ . 1 . 2]" 1
1517 1 111 LEU HG 1 112 GLN H . . 4.380 3.713 2.188 4.475 0.095 11 0 "[ . 1 . 2]" 1
1518 1 111 LEU HG 1 115 GLY H . . 5.500 4.781 3.385 5.589 0.089 4 0 "[ . 1 . 2]" 1
1519 1 112 GLN H 1 112 GLN QB . . 3.250 2.411 2.053 2.617 . 0 0 "[ . 1 . 2]" 1
1520 1 112 GLN H 1 112 GLN HG2 . . 4.160 2.763 2.362 3.973 . 0 0 "[ . 1 . 2]" 1
1521 1 112 GLN H 1 112 GLN HG3 . . 3.920 3.917 3.609 4.043 0.123 2 0 "[ . 1 . 2]" 1
1522 1 112 GLN H 1 116 LYS H . . 4.760 3.767 3.202 4.793 0.033 20 0 "[ . 1 . 2]" 1
1523 1 112 GLN H 1 118 TYR H . . 5.190 4.145 3.118 5.100 . 0 0 "[ . 1 . 2]" 1
1524 1 112 GLN H 1 118 TYR QD . . 4.460 3.846 3.128 4.546 0.086 20 0 "[ . 1 . 2]" 1
1525 1 112 GLN HA 1 112 GLN QB . . 2.760 2.353 2.259 2.499 . 0 0 "[ . 1 . 2]" 1
1526 1 112 GLN HA 1 112 GLN QE . . 5.300 3.284 2.746 3.815 . 0 0 "[ . 1 . 2]" 1
1527 1 112 GLN HA 1 112 GLN HG2 . . 3.470 3.209 2.847 3.549 0.079 12 0 "[ . 1 . 2]" 1
1528 1 112 GLN HA 1 112 GLN HG3 . . 3.630 3.572 2.316 3.767 0.137 2 0 "[ . 1 . 2]" 1
1529 1 112 GLN HA 1 113 ALA MB . . 4.060 4.118 3.886 4.826 0.766 2 1 "[ + . 1 . 2]" 1
1530 1 112 GLN QB 1 112 GLN HG2 . . 2.400 2.366 2.198 2.476 0.076 19 0 "[ . 1 . 2]" 1
1531 1 112 GLN QB 1 113 ALA H . . 3.280 2.531 1.667 2.932 . 0 0 "[ . 1 . 2]" 1
1532 1 112 GLN QB 1 113 ALA MB . . 3.710 3.633 2.506 3.829 0.119 4 0 "[ . 1 . 2]" 1
1533 1 112 GLN QB 1 114 ASP H . . 3.460 2.574 2.061 3.731 0.271 2 0 "[ . 1 . 2]" 1
1534 1 112 GLN QB 1 115 GLY H . . 5.220 3.544 2.870 4.520 . 0 0 "[ . 1 . 2]" 1
1535 1 112 GLN QB 1 116 LYS H . . 4.420 3.320 2.721 4.144 . 0 0 "[ . 1 . 2]" 1
1536 1 112 GLN QE 1 120 VAL QG . . 3.610 2.841 2.280 3.284 . 0 0 "[ . 1 . 2]" 1
1537 1 112 GLN HG2 1 118 TYR HB2 . . 2.400 2.412 2.247 2.489 0.089 20 0 "[ . 1 . 2]" 1
1538 1 112 GLN HG2 1 118 TYR QD . . 2.830 2.553 2.094 2.921 0.091 14 0 "[ . 1 . 2]" 1
1539 1 112 GLN HG3 1 118 TYR QD . . 3.940 2.943 2.141 4.019 0.079 12 0 "[ . 1 . 2]" 1
1540 1 113 ALA H 1 113 ALA MB . . 3.040 2.195 2.103 2.824 . 0 0 "[ . 1 . 2]" 1
1541 1 113 ALA H 1 114 ASP H . . 3.970 2.705 2.314 3.011 . 0 0 "[ . 1 . 2]" 1
1542 1 113 ALA HA 1 115 GLY H . . 4.440 3.631 3.142 4.590 0.150 2 0 "[ . 1 . 2]" 1
1543 1 113 ALA MB 1 114 ASP H . . 3.590 2.941 2.014 3.474 . 0 0 "[ . 1 . 2]" 1
1544 1 113 ALA MB 1 115 GLY H . . 5.280 4.177 3.077 4.674 . 0 0 "[ . 1 . 2]" 1
1545 1 114 ASP H 1 114 ASP HB2 . . 3.880 2.513 2.110 3.467 . 0 0 "[ . 1 . 2]" 1
1546 1 114 ASP H 1 114 ASP HB3 . . 3.600 3.052 2.128 3.981 0.381 19 0 "[ . 1 . 2]" 1
1547 1 114 ASP H 1 115 GLY H . . 3.250 2.609 1.430 3.013 . 0 0 "[ . 1 . 2]" 1
1548 1 114 ASP H 1 116 LYS H . . 4.140 4.020 3.238 4.219 0.079 20 0 "[ . 1 . 2]" 1
1549 1 114 ASP HA 1 114 ASP HB2 . . 3.000 2.733 2.238 3.050 0.050 6 0 "[ . 1 . 2]" 1
1550 1 114 ASP HA 1 115 GLY HA3 . . 4.680 4.613 4.369 4.946 0.266 2 0 "[ . 1 . 2]" 1
1551 1 115 GLY H 1 116 LYS H . . 3.300 2.535 1.838 3.381 0.081 20 0 "[ . 1 . 2]" 1
1552 1 116 LYS H 1 116 LYS QB . . 3.860 2.442 2.280 2.775 . 0 0 "[ . 1 . 2]" 1
1553 1 116 LYS H 1 116 LYS QG . . 3.670 3.406 2.763 3.760 0.090 20 0 "[ . 1 . 2]" 1
1554 1 116 LYS H 1 118 TYR QE . . 4.210 4.072 3.358 4.314 0.104 13 0 "[ . 1 . 2]" 1
1555 1 116 LYS HA 1 116 LYS QG . . 3.530 2.331 2.058 3.317 . 0 0 "[ . 1 . 2]" 1
1556 1 116 LYS HA 1 117 TRP H . . 3.050 2.240 2.098 2.679 . 0 0 "[ . 1 . 2]" 1
1557 1 116 LYS HA 1 117 TRP HD1 . . 4.530 3.648 3.212 4.263 . 0 0 "[ . 1 . 2]" 1
1558 1 116 LYS QB 1 117 TRP H . . 4.140 2.836 2.412 3.385 . 0 0 "[ . 1 . 2]" 1
1559 1 116 LYS QB 1 118 TYR QE . . 3.690 2.248 1.931 3.825 0.135 14 0 "[ . 1 . 2]" 1
1560 1 116 LYS QG 1 117 TRP H . . 3.710 3.585 2.449 3.809 0.099 18 0 "[ . 1 . 2]" 1
1561 1 116 LYS QG 1 118 TYR QE . . 4.000 3.862 2.088 4.117 0.117 7 0 "[ . 1 . 2]" 1
1562 1 117 TRP H 1 117 TRP HD1 . . 4.350 2.610 2.236 3.297 . 0 0 "[ . 1 . 2]" 1
1563 1 117 TRP H 1 118 TYR H . . 5.020 4.569 4.322 4.673 . 0 0 "[ . 1 . 2]" 1
1564 1 118 TYR H 1 118 TYR HB2 . . 3.890 2.566 2.447 2.799 . 0 0 "[ . 1 . 2]" 1
1565 1 118 TYR H 1 118 TYR QD . . 4.100 3.326 3.022 3.955 . 0 0 "[ . 1 . 2]" 1
1566 1 118 TYR H 1 119 VAL H . . 5.080 4.338 3.836 4.512 . 0 0 "[ . 1 . 2]" 1
1567 1 118 TYR H 1 120 VAL QG . . 5.500 4.268 3.859 4.973 . 0 0 "[ . 1 . 2]" 1
1568 1 118 TYR HA 1 118 TYR QD . . 3.720 2.976 2.067 3.211 . 0 0 "[ . 1 . 2]" 1
1569 1 118 TYR HA 1 118 TYR QE . . 4.990 4.563 4.277 4.825 . 0 0 "[ . 1 . 2]" 1
1570 1 118 TYR HA 1 119 VAL H . . 3.030 2.283 2.138 2.474 . 0 0 "[ . 1 . 2]" 1
1571 1 118 TYR HA 1 119 VAL HA . . 4.690 4.472 4.386 4.525 . 0 0 "[ . 1 . 2]" 1
1572 1 118 TYR HA 1 119 VAL QG . . 5.150 3.662 3.437 3.794 . 0 0 "[ . 1 . 2]" 1
1573 1 118 TYR HB2 1 119 VAL H . . 4.510 4.262 3.948 4.560 0.050 20 0 "[ . 1 . 2]" 1
1574 1 118 TYR HB2 1 120 VAL QG . . 5.290 3.668 3.065 4.375 . 0 0 "[ . 1 . 2]" 1
1575 1 118 TYR HB3 1 119 VAL H . . 4.260 3.138 2.646 3.755 . 0 0 "[ . 1 . 2]" 1
1576 1 118 TYR HB3 1 120 VAL QG . . 4.760 3.501 3.053 4.530 . 0 0 "[ . 1 . 2]" 1
1577 1 118 TYR QD 1 119 VAL H . . 4.820 4.052 3.301 4.721 . 0 0 "[ . 1 . 2]" 1
1578 1 119 VAL H 1 119 VAL QG . . 3.470 2.190 1.944 2.650 . 0 0 "[ . 1 . 2]" 1
1579 1 119 VAL H 1 120 VAL H . . 4.710 4.587 4.393 4.716 0.006 20 0 "[ . 1 . 2]" 1
1580 1 119 VAL HA 1 119 VAL QG . . 3.270 2.206 2.051 2.528 . 0 0 "[ . 1 . 2]" 1
1581 1 119 VAL HA 1 120 VAL H . . 3.110 2.256 2.142 2.476 . 0 0 "[ . 1 . 2]" 1
1582 1 119 VAL HA 1 120 VAL QG . . 4.320 3.249 2.879 3.962 . 0 0 "[ . 1 . 2]" 1
1583 1 119 VAL HA 1 121 ASP H . . 4.180 3.835 3.294 4.108 . 0 0 "[ . 1 . 2]" 1
1584 1 119 VAL QG 1 120 VAL H . . 3.310 2.511 2.168 2.985 . 0 0 "[ . 1 . 2]" 1
1585 1 119 VAL QG 1 121 ASP H . . 3.370 1.985 1.678 2.301 . 0 0 "[ . 1 . 2]" 1
1586 1 119 VAL QG 1 121 ASP QB . . 4.940 3.800 3.430 4.287 . 0 0 "[ . 1 . 2]" 1
1587 1 119 VAL QG 1 122 CYS H . . 5.270 4.596 4.064 4.900 . 0 0 "[ . 1 . 2]" 1
1588 1 119 VAL QG 1 122 CYS QB . . 4.960 3.326 2.471 3.919 . 0 0 "[ . 1 . 2]" 1
1589 1 120 VAL H 1 120 VAL QG . . 3.010 2.204 1.990 2.383 . 0 0 "[ . 1 . 2]" 1
1590 1 120 VAL H 1 121 ASP H . . 3.000 2.236 1.924 2.599 . 0 0 "[ . 1 . 2]" 1
1591 1 120 VAL H 1 121 ASP HA . . 5.180 4.740 4.553 5.097 . 0 0 "[ . 1 . 2]" 1
1592 1 120 VAL H 1 121 ASP QB . . 4.950 3.949 3.561 4.483 . 0 0 "[ . 1 . 2]" 1
1593 1 120 VAL HA 1 120 VAL QG . . 3.000 2.303 2.166 2.439 . 0 0 "[ . 1 . 2]" 1
1594 1 120 VAL HA 1 121 ASP HA . . 4.460 4.362 4.111 4.542 0.082 11 0 "[ . 1 . 2]" 1
1595 1 120 VAL QG 1 121 ASP QB . . 4.030 3.122 2.619 3.746 . 0 0 "[ . 1 . 2]" 1
1596 1 121 ASP H 1 122 CYS H . . 5.020 4.222 3.981 4.393 . 0 0 "[ . 1 . 2]" 1
1597 1 121 ASP HA 1 122 CYS H . . 3.090 2.307 2.149 2.483 . 0 0 "[ . 1 . 2]" 1
1598 1 121 ASP QB 1 122 CYS H . . 4.350 3.384 2.994 3.749 . 0 0 "[ . 1 . 2]" 1
1599 1 122 CYS H 1 122 CYS QB . . 3.790 2.812 2.630 3.035 . 0 0 "[ . 1 . 2]" 1
1600 1 122 CYS H 1 123 TYR H . . 4.750 3.369 2.487 3.946 . 0 0 "[ . 1 . 2]" 1
1601 1 122 CYS HA 1 123 TYR H . . 3.060 2.434 2.124 3.046 . 0 0 "[ . 1 . 2]" 1
1602 1 122 CYS HA 1 123 TYR HA . . 4.900 4.541 4.391 4.794 . 0 0 "[ . 1 . 2]" 1
1603 1 122 CYS HA 1 123 TYR HB2 . . 5.240 4.961 4.519 5.535 0.295 5 0 "[ . 1 . 2]" 1
1604 1 122 CYS QB 1 123 TYR H . . 4.890 4.031 3.662 4.203 . 0 0 "[ . 1 . 2]" 1
1605 1 123 TYR H 1 123 TYR HB2 . . 4.080 2.878 2.290 3.303 . 0 0 "[ . 1 . 2]" 1
1606 1 123 TYR H 1 123 TYR HB3 . . 3.930 2.571 2.291 2.901 . 0 0 "[ . 1 . 2]" 1
1607 1 123 TYR H 1 123 TYR QD . . 4.970 4.259 4.075 4.442 . 0 0 "[ . 1 . 2]" 1
1608 1 123 TYR HA 1 123 TYR QD . . 3.060 2.769 2.434 3.131 0.071 6 0 "[ . 1 . 2]" 1
1609 1 123 TYR HA 1 124 THR H . . 3.000 2.287 2.162 2.445 . 0 0 "[ . 1 . 2]" 1
1610 1 123 TYR HB2 1 124 THR H . . 4.770 4.221 3.890 4.514 . 0 0 "[ . 1 . 2]" 1
1611 1 123 TYR HB3 1 124 THR H . . 5.150 4.004 3.598 4.400 . 0 0 "[ . 1 . 2]" 1
1612 1 123 TYR QD 1 124 THR H . . 4.570 3.454 2.963 3.957 . 0 0 "[ . 1 . 2]" 1
1613 1 123 TYR QD 1 125 GLY H . . 5.500 4.843 3.445 5.573 0.073 14 0 "[ . 1 . 2]" 1
1614 1 123 TYR QE 1 128 GLY HA2 . . 4.050 3.268 2.214 4.268 0.218 2 0 "[ . 1 . 2]" 1
1615 1 123 TYR QE 1 128 GLY HA3 . . 5.150 3.846 2.276 4.770 . 0 0 "[ . 1 . 2]" 1
1616 1 124 THR H 1 124 THR MG . . 3.310 2.550 2.260 2.681 . 0 0 "[ . 1 . 2]" 1
1617 1 124 THR H 1 127 TYR H . . 5.500 3.692 3.213 4.118 . 0 0 "[ . 1 . 2]" 1
1618 1 124 THR HA 1 124 THR MG . . 3.490 3.253 3.198 3.294 . 0 0 "[ . 1 . 2]" 1
1619 1 124 THR HA 1 125 GLY H . . 3.150 2.399 2.215 3.046 . 0 0 "[ . 1 . 2]" 1
1620 1 124 THR HA 1 125 GLY HA2 . . 4.350 4.480 4.309 4.956 0.606 13 3 "[- . 1 *+ . 2]" 1
1621 1 124 THR HA 1 126 TRP H . . 4.520 4.114 3.791 4.456 . 0 0 "[ . 1 . 2]" 1
1622 1 124 THR HB 1 125 GLY H . . 4.860 3.965 3.614 4.631 . 0 0 "[ . 1 . 2]" 1
1623 1 124 THR HB 1 126 TRP HB2 . . 4.450 4.379 3.971 4.539 0.089 13 0 "[ . 1 . 2]" 1
1624 1 124 THR MG 1 125 GLY H . . 5.500 3.988 3.789 4.147 . 0 0 "[ . 1 . 2]" 1
1625 1 124 THR MG 1 126 TRP H . . 4.110 2.879 2.124 3.289 . 0 0 "[ . 1 . 2]" 1
1626 1 124 THR MG 1 126 TRP HA . . 5.290 4.441 3.943 4.832 . 0 0 "[ . 1 . 2]" 1
1627 1 124 THR MG 1 126 TRP HB2 . . 3.720 2.129 1.921 2.375 . 0 0 "[ . 1 . 2]" 1
1628 1 124 THR MG 1 126 TRP HE1 . . 5.450 4.926 4.232 5.547 0.097 19 0 "[ . 1 . 2]" 1
1629 1 124 THR MG 1 127 TYR H . . 3.220 2.697 1.854 3.307 0.087 1 0 "[ . 1 . 2]" 1
1630 1 124 THR MG 1 127 TYR QD . . 3.000 2.540 2.172 3.103 0.103 13 0 "[ . 1 . 2]" 1
1631 1 124 THR MG 1 127 TYR QE . . 4.120 3.560 2.514 4.115 . 0 0 "[ . 1 . 2]" 1
1632 1 124 THR MG 1 128 GLY H . . 5.500 5.029 4.482 5.579 0.079 4 0 "[ . 1 . 2]" 1
1633 1 125 GLY H 1 126 TRP H . . 3.960 2.984 2.624 3.581 . 0 0 "[ . 1 . 2]" 1
1634 1 125 GLY HA2 1 127 TYR H . . 4.880 4.033 3.665 4.632 . 0 0 "[ . 1 . 2]" 1
1635 1 126 TRP H 1 126 TRP HB2 . . 3.420 2.309 2.179 2.429 . 0 0 "[ . 1 . 2]" 1
1636 1 126 TRP H 1 126 TRP HD1 . . 4.140 3.625 3.220 4.088 . 0 0 "[ . 1 . 2]" 1
1637 1 126 TRP H 1 127 TYR H . . 3.450 2.930 2.618 3.124 . 0 0 "[ . 1 . 2]" 1
1638 1 126 TRP HA 1 126 TRP HD1 . . 4.420 4.477 4.408 4.498 0.078 14 0 "[ . 1 . 2]" 1
1639 1 126 TRP HA 1 126 TRP HE1 . . 5.500 5.525 5.374 5.581 0.081 14 0 "[ . 1 . 2]" 1
1640 1 126 TRP HA 1 126 TRP HE3 . . 3.430 2.123 1.988 2.315 . 0 0 "[ . 1 . 2]" 1
1641 1 126 TRP HA 1 126 TRP HZ3 . . 4.240 4.316 4.279 4.325 0.085 18 0 "[ . 1 . 2]" 1
1642 1 126 TRP HB2 1 127 TYR H . . 4.010 2.808 2.274 3.186 . 0 0 "[ . 1 . 2]" 1
1643 1 126 TRP HB2 1 127 TYR QD . . 5.000 3.122 2.483 3.611 . 0 0 "[ . 1 . 2]" 1
1644 1 126 TRP HB3 1 127 TYR HA . . 4.270 4.300 4.114 4.355 0.085 15 0 "[ . 1 . 2]" 1
1645 1 126 TRP HB3 1 139 THR MG . . 4.040 3.129 2.375 3.912 . 0 0 "[ . 1 . 2]" 1
1646 1 126 TRP HD1 1 127 TYR QE . . 4.860 4.536 3.524 4.941 0.081 4 0 "[ . 1 . 2]" 1
1647 1 126 TRP HE1 1 143 VAL MG1 . . 5.500 4.181 3.195 4.963 . 0 0 "[ . 1 . 2]" 1
1648 1 126 TRP HE1 1 143 VAL MG2 . . 4.930 3.364 2.942 4.164 . 0 0 "[ . 1 . 2]" 1
1649 1 126 TRP HE1 1 146 GLU HG3 . . 5.500 4.112 3.322 5.327 . 0 0 "[ . 1 . 2]" 1
1650 1 126 TRP HE3 1 139 THR MG . . 3.250 2.228 1.975 2.704 . 0 0 "[ . 1 . 2]" 1
1651 1 126 TRP HE3 1 143 VAL MG2 . . 3.850 3.470 2.811 3.909 0.059 12 0 "[ . 1 . 2]" 1
1652 1 126 TRP HH2 1 146 GLU HG3 . . 4.230 3.796 3.018 4.293 0.063 6 0 "[ . 1 . 2]" 1
1653 1 126 TRP HZ2 1 143 VAL MG2 . . 4.360 3.691 3.050 4.349 . 0 0 "[ . 1 . 2]" 1
1654 1 126 TRP HZ2 1 146 GLU HB3 . . 4.340 4.206 3.460 4.433 0.093 17 0 "[ . 1 . 2]" 1
1655 1 126 TRP HZ2 1 146 GLU HG2 . . 3.930 3.519 2.023 4.000 0.070 10 0 "[ . 1 . 2]" 1
1656 1 126 TRP HZ2 1 146 GLU HG3 . . 3.400 2.329 1.998 3.495 0.095 6 0 "[ . 1 . 2]" 1
1657 1 126 TRP HZ3 1 139 THR MG . . 4.320 2.942 2.054 3.968 . 0 0 "[ . 1 . 2]" 1
1658 1 126 TRP HZ3 1 143 VAL MG2 . . 4.380 4.024 3.076 4.443 0.063 7 0 "[ . 1 . 2]" 1
1659 1 127 TYR H 1 127 TYR QD . . 4.170 3.207 2.666 3.655 . 0 0 "[ . 1 . 2]" 1
1660 1 127 TYR H 1 128 GLY H . . 3.660 2.745 2.148 3.664 0.004 2 0 "[ . 1 . 2]" 1
1661 1 127 TYR HA 1 127 TYR QD . . 3.290 2.708 2.278 3.293 0.003 4 0 "[ . 1 . 2]" 1
1662 1 127 TYR HA 1 128 GLY H . . 3.540 2.792 2.333 3.194 . 0 0 "[ . 1 . 2]" 1
1663 1 127 TYR HA 1 136 LEU QD . . 4.960 4.347 3.408 4.966 0.006 4 0 "[ . 1 . 2]" 1
1664 1 127 TYR QB 1 128 GLY H . . 4.950 3.871 3.666 3.992 . 0 0 "[ . 1 . 2]" 1
1665 1 127 TYR QD 1 128 GLY H . . 5.500 4.943 4.758 5.175 . 0 0 "[ . 1 . 2]" 1
1666 1 127 TYR QD 1 136 LEU QD . . 3.720 2.599 1.992 3.595 . 0 0 "[ . 1 . 2]" 1
1667 1 127 TYR QD 1 139 THR MG . . 4.050 3.381 2.635 3.983 . 0 0 "[ . 1 . 2]" 1
1668 1 127 TYR QD 1 143 VAL MG2 . . 4.710 4.229 3.768 4.782 0.072 8 0 "[ . 1 . 2]" 1
1669 1 127 TYR QE 1 136 LEU QD . . 3.690 2.670 2.094 3.749 0.059 1 0 "[ . 1 . 2]" 1
1670 1 127 TYR QE 1 139 THR MG . . 3.100 3.011 2.597 3.204 0.104 14 0 "[ . 1 . 2]" 1
1671 1 127 TYR QE 1 140 ILE H . . 5.260 4.041 3.082 5.333 0.073 1 0 "[ . 1 . 2]" 1
1672 1 127 TYR QE 1 140 ILE HA . . 4.330 3.430 2.897 4.216 . 0 0 "[ . 1 . 2]" 1
1673 1 127 TYR QE 1 140 ILE MD . . 5.000 3.744 2.531 4.493 . 0 0 "[ . 1 . 2]" 1
1674 1 127 TYR QE 1 140 ILE QG . . 3.820 2.511 2.091 3.767 . 0 0 "[ . 1 . 2]" 1
1675 1 127 TYR QE 1 140 ILE MG . . 4.070 4.146 3.866 4.209 0.139 17 0 "[ . 1 . 2]" 1
1676 1 127 TYR QE 1 143 VAL MG1 . . 5.430 3.177 2.560 3.896 . 0 0 "[ . 1 . 2]" 1
1677 1 127 TYR QE 1 143 VAL MG2 . . 4.110 2.685 2.187 3.281 . 0 0 "[ . 1 . 2]" 1
1678 1 128 GLY H 1 129 TYR H . . 4.670 4.148 3.346 4.490 . 0 0 "[ . 1 . 2]" 1
1679 1 128 GLY H 1 130 ASP H . . 5.500 4.168 3.276 4.993 . 0 0 "[ . 1 . 2]" 1
1680 1 128 GLY H 1 131 LEU H . . 5.500 4.902 3.828 5.564 0.064 12 0 "[ . 1 . 2]" 1
1681 1 128 GLY HA2 1 129 TYR H . . 3.390 2.590 2.198 3.000 . 0 0 "[ . 1 . 2]" 1
1682 1 128 GLY HA2 1 129 TYR QD . . 3.900 3.413 2.791 4.166 0.266 6 0 "[ . 1 . 2]" 1
1683 1 128 GLY HA3 1 129 TYR H . . 3.420 2.715 2.219 3.492 0.072 20 0 "[ . 1 . 2]" 1
1684 1 129 TYR H 1 129 TYR HB2 . . 3.290 2.600 2.125 3.370 0.080 16 0 "[ . 1 . 2]" 1
1685 1 129 TYR H 1 129 TYR QD . . 4.300 2.535 2.068 3.210 . 0 0 "[ . 1 . 2]" 1
1686 1 129 TYR H 1 129 TYR QE . . 5.340 4.679 4.271 5.316 . 0 0 "[ . 1 . 2]" 1
1687 1 129 TYR H 1 130 ASP H . . 3.790 3.274 2.376 3.875 0.085 6 0 "[ . 1 . 2]" 1
1688 1 129 TYR HA 1 129 TYR QD . . 2.920 2.849 2.319 3.026 0.106 8 0 "[ . 1 . 2]" 1
1689 1 129 TYR HA 1 130 ASP H . . 3.460 2.756 2.211 3.505 0.045 11 0 "[ . 1 . 2]" 1
1690 1 129 TYR HA 1 131 LEU H . . 5.130 4.101 3.617 4.644 . 0 0 "[ . 1 . 2]" 1
1691 1 129 TYR HB3 1 130 ASP H . . 4.240 4.268 4.003 4.331 0.091 15 0 "[ . 1 . 2]" 1
1692 1 129 TYR QD 1 130 ASP H . . 5.100 4.810 4.657 5.063 . 0 0 "[ . 1 . 2]" 1
1693 1 130 ASP H 1 130 ASP HB2 . . 4.120 3.028 2.351 3.694 . 0 0 "[ . 1 . 2]" 1
1694 1 130 ASP H 1 131 LEU H . . 3.410 2.137 1.737 2.546 . 0 0 "[ . 1 . 2]" 1
1695 1 130 ASP H 1 131 LEU HB2 . . 5.440 4.385 3.821 5.576 0.136 13 0 "[ . 1 . 2]" 1
1696 1 130 ASP H 1 131 LEU HB3 . . 5.500 5.319 3.618 5.589 0.089 12 0 "[ . 1 . 2]" 1
1697 1 130 ASP HB3 1 131 LEU HB2 . . 4.580 4.263 3.527 5.220 0.640 3 2 "[ +-. 1 . 2]" 1
1698 1 131 LEU H 1 131 LEU HB2 . . 3.250 2.595 2.103 3.717 0.467 7 0 "[ . 1 . 2]" 1
1699 1 131 LEU H 1 131 LEU HB3 . . 3.630 3.413 2.072 3.691 0.061 9 0 "[ . 1 . 2]" 1
1700 1 131 LEU HA 1 131 LEU QD . . 2.930 2.298 1.993 2.973 0.043 3 0 "[ . 1 . 2]" 1
1701 1 131 LEU HA 1 132 PRO HD2 . . 3.370 2.430 2.155 2.868 . 0 0 "[ . 1 . 2]" 1
1702 1 131 LEU HA 1 132 PRO HD3 . . 3.270 2.339 2.012 2.512 . 0 0 "[ . 1 . 2]" 1
1703 1 131 LEU HB2 1 131 LEU HG . . 2.950 2.551 2.360 3.020 0.070 3 0 "[ . 1 . 2]" 1
1704 1 131 LEU HB3 1 132 PRO HD2 . . 3.670 2.908 1.997 4.311 0.641 3 2 "[ + . - 1 . 2]" 1
1705 1 131 LEU QD 1 132 PRO HD2 . . 3.250 2.156 1.942 2.438 . 0 0 "[ . 1 . 2]" 1
1706 1 131 LEU QD 1 132 PRO HD3 . . 3.380 3.144 2.754 3.442 0.062 13 0 "[ . 1 . 2]" 1
1707 1 131 LEU QD 1 132 PRO HG3 . . 4.970 4.219 3.859 4.591 . 0 0 "[ . 1 . 2]" 1
1708 1 131 LEU QD 1 135 GLU H . . 5.500 4.178 3.236 4.534 . 0 0 "[ . 1 . 2]" 1
1709 1 131 LEU QD 1 135 GLU HB2 . . 3.460 2.466 2.221 2.904 . 0 0 "[ . 1 . 2]" 1
1710 1 131 LEU QD 1 135 GLU HB3 . . 3.150 2.501 1.878 3.498 0.348 7 0 "[ . 1 . 2]" 1
1711 1 131 LEU QD 1 135 GLU HG3 . . 4.260 3.012 2.228 4.432 0.172 3 0 "[ . 1 . 2]" 1
1712 1 132 PRO HA 1 133 ILE H . . 3.150 2.372 2.246 2.655 . 0 0 "[ . 1 . 2]" 1
1713 1 132 PRO HA 1 133 ILE HB . . 4.670 4.360 4.157 4.600 . 0 0 "[ . 1 . 2]" 1
1714 1 132 PRO HA 1 134 GLY H . . 4.560 4.244 4.020 4.565 0.005 19 0 "[ . 1 . 2]" 1
1715 1 132 PRO HB2 1 133 ILE H . . 4.040 2.561 2.038 2.827 . 0 0 "[ . 1 . 2]" 1
1716 1 132 PRO HB2 1 135 GLU H . . 3.790 3.809 3.276 3.864 0.074 12 0 "[ . 1 . 2]" 1
1717 1 132 PRO HB3 1 133 ILE H . . 3.760 3.481 3.197 3.650 . 0 0 "[ . 1 . 2]" 1
1718 1 132 PRO HB3 1 133 ILE MG . . 5.070 4.434 4.142 4.715 . 0 0 "[ . 1 . 2]" 1
1719 1 132 PRO HB3 1 134 GLY H . . 4.720 4.260 3.921 4.624 . 0 0 "[ . 1 . 2]" 1
1720 1 132 PRO HD2 1 135 GLU H . . 5.500 3.685 2.678 4.185 . 0 0 "[ . 1 . 2]" 1
1721 1 132 PRO HD2 1 135 GLU HB2 . . 4.810 2.335 1.998 2.900 . 0 0 "[ . 1 . 2]" 1
1722 1 132 PRO HG2 1 134 GLY HA3 . . 4.450 4.031 3.450 4.510 0.060 10 0 "[ . 1 . 2]" 1
1723 1 133 ILE H 1 133 ILE HB . . 2.850 2.285 2.082 2.662 . 0 0 "[ . 1 . 2]" 1
1724 1 133 ILE H 1 133 ILE HG12 . . 4.580 4.549 4.457 4.620 0.040 7 0 "[ . 1 . 2]" 1
1725 1 133 ILE H 1 133 ILE MG . . 2.850 2.233 2.023 2.504 . 0 0 "[ . 1 . 2]" 1
1726 1 133 ILE HA 1 133 ILE HB . . 2.970 2.469 2.381 2.561 . 0 0 "[ . 1 . 2]" 1
1727 1 133 ILE HA 1 133 ILE MD . . 4.080 3.642 3.470 3.790 . 0 0 "[ . 1 . 2]" 1
1728 1 133 ILE HA 1 133 ILE HG12 . . 3.900 3.167 2.784 3.378 . 0 0 "[ . 1 . 2]" 1
1729 1 133 ILE HA 1 133 ILE HG13 . . 3.730 2.296 2.236 2.433 . 0 0 "[ . 1 . 2]" 1
1730 1 133 ILE HA 1 133 ILE MG . . 3.320 3.244 3.197 3.271 . 0 0 "[ . 1 . 2]" 1
1731 1 133 ILE HA 1 136 LEU H . . 4.520 4.050 3.650 4.433 . 0 0 "[ . 1 . 2]" 1
1732 1 133 ILE HA 1 136 LEU QD . . 4.740 3.940 2.837 4.714 . 0 0 "[ . 1 . 2]" 1
1733 1 133 ILE HB 1 133 ILE MD . . 3.140 2.300 2.224 2.417 . 0 0 "[ . 1 . 2]" 1
1734 1 133 ILE MD 1 133 ILE MG . . 2.400 2.141 2.058 2.245 . 0 0 "[ . 1 . 2]" 1
1735 1 133 ILE HG12 1 133 ILE MG . . 2.680 2.355 2.205 2.506 . 0 0 "[ . 1 . 2]" 1
1736 1 133 ILE HG12 1 134 GLY H . . 5.500 4.537 4.115 4.780 . 0 0 "[ . 1 . 2]" 1
1737 1 133 ILE HG12 1 136 LEU QD . . 5.150 4.735 3.965 5.149 . 0 0 "[ . 1 . 2]" 1
1738 1 133 ILE HG13 1 133 ILE MG . . 3.130 3.216 3.176 3.232 0.102 4 0 "[ . 1 . 2]" 1
1739 1 133 ILE MG 1 134 GLY H . . 3.960 2.647 2.302 2.982 . 0 0 "[ . 1 . 2]" 1
1740 1 133 ILE MG 1 134 GLY HA2 . . 3.940 3.577 3.242 3.909 . 0 0 "[ . 1 . 2]" 1
1741 1 134 GLY H 1 135 GLU H . . 3.630 2.527 2.100 2.782 . 0 0 "[ . 1 . 2]" 1
1742 1 134 GLY H 1 136 LEU H . . 4.820 4.001 3.528 4.378 . 0 0 "[ . 1 . 2]" 1
1743 1 134 GLY HA2 1 136 LEU HB3 . . 4.960 4.903 4.042 5.236 0.276 11 0 "[ . 1 . 2]" 1
1744 1 135 GLU H 1 135 GLU HB2 . . 3.900 2.303 2.042 2.594 . 0 0 "[ . 1 . 2]" 1
1745 1 135 GLU H 1 135 GLU HB3 . . 3.460 3.515 2.900 3.674 0.214 18 0 "[ . 1 . 2]" 1
1746 1 135 GLU H 1 135 GLU HG3 . . 3.810 3.780 2.300 4.383 0.573 16 1 "[ . 1 .+ 2]" 1
1747 1 135 GLU H 1 136 LEU H . . 3.260 2.609 2.160 2.955 . 0 0 "[ . 1 . 2]" 1
1748 1 135 GLU H 1 136 LEU HB2 . . 4.900 4.601 3.966 4.987 0.087 19 0 "[ . 1 . 2]" 1
1749 1 135 GLU H 1 137 LYS H . . 5.500 5.004 4.558 5.540 0.040 1 0 "[ . 1 . 2]" 1
1750 1 135 GLU HA 1 135 GLU HG2 . . 3.560 2.767 2.206 3.368 . 0 0 "[ . 1 . 2]" 1
1751 1 135 GLU HA 1 135 GLU HG3 . . 3.370 3.427 2.142 3.648 0.278 1 0 "[ . 1 . 2]" 1
1752 1 135 GLU HA 1 138 GLN H . . 4.070 3.258 2.600 3.716 . 0 0 "[ . 1 . 2]" 1
1753 1 135 GLU HA 1 138 GLN HB2 . . 3.780 3.582 2.981 4.252 0.472 17 0 "[ . 1 . 2]" 1
1754 1 135 GLU HB2 1 135 GLU HG2 . . 2.400 2.604 2.361 3.052 0.652 7 3 "[ . +* 1 . - 2]" 1
1755 1 136 LEU H 1 136 LEU HB2 . . 3.370 2.273 2.060 2.528 . 0 0 "[ . 1 . 2]" 1
1756 1 136 LEU H 1 136 LEU HB3 . . 3.370 2.764 2.476 3.037 . 0 0 "[ . 1 . 2]" 1
1757 1 136 LEU H 1 136 LEU QD . . 4.360 3.746 3.632 3.842 . 0 0 "[ . 1 . 2]" 1
1758 1 136 LEU H 1 136 LEU HG . . 5.170 4.265 3.815 4.572 . 0 0 "[ . 1 . 2]" 1
1759 1 136 LEU H 1 137 LYS H . . 3.700 3.071 2.833 3.320 . 0 0 "[ . 1 . 2]" 1
1760 1 136 LEU HA 1 136 LEU QD . . 2.950 2.192 2.003 2.457 . 0 0 "[ . 1 . 2]" 1
1761 1 136 LEU HB2 1 137 LYS H . . 3.620 3.623 3.386 3.768 0.148 19 0 "[ . 1 . 2]" 1
1762 1 136 LEU HB3 1 136 LEU QD . . 3.180 2.230 2.055 2.418 . 0 0 "[ . 1 . 2]" 1
1763 1 136 LEU HB3 1 137 LYS H . . 4.450 2.373 2.200 2.774 . 0 0 "[ . 1 . 2]" 1
1764 1 136 LEU QD 1 137 LYS H . . 4.110 3.582 3.163 3.815 . 0 0 "[ . 1 . 2]" 1
1765 1 136 LEU QD 1 137 LYS HA . . 5.150 3.762 2.912 4.213 . 0 0 "[ . 1 . 2]" 1
1766 1 136 LEU QD 1 139 THR H . . 5.000 4.312 4.014 4.744 . 0 0 "[ . 1 . 2]" 1
1767 1 136 LEU QD 1 140 ILE MD . . 2.930 2.191 1.874 2.621 . 0 0 "[ . 1 . 2]" 1
1768 1 136 LEU QD 1 140 ILE QG . . 3.030 2.361 1.999 2.793 . 0 0 "[ . 1 . 2]" 1
1769 1 136 LEU HG 1 137 LYS H . . 5.500 4.267 3.061 5.242 . 0 0 "[ . 1 . 2]" 1
1770 1 137 LYS H 1 137 LYS QB . . 2.580 2.455 2.210 2.664 0.084 8 0 "[ . 1 . 2]" 1
1771 1 137 LYS H 1 137 LYS QD . . 4.590 4.131 3.109 4.638 0.048 5 0 "[ . 1 . 2]" 1
1772 1 137 LYS H 1 137 LYS QE . . 5.440 4.271 3.341 5.038 . 0 0 "[ . 1 . 2]" 1
1773 1 137 LYS H 1 137 LYS HG2 . . 3.940 2.809 1.976 3.686 . 0 0 "[ . 1 . 2]" 1
1774 1 137 LYS H 1 137 LYS HG3 . . 3.830 2.869 1.981 3.797 . 0 0 "[ . 1 . 2]" 1
1775 1 137 LYS HA 1 137 LYS QB . . 2.680 2.288 1.987 2.517 . 0 0 "[ . 1 . 2]" 1
1776 1 137 LYS HA 1 137 LYS QD . . 3.920 3.742 2.500 4.038 0.118 12 0 "[ . 1 . 2]" 1
1777 1 137 LYS HA 1 137 LYS HG2 . . 3.830 2.981 2.171 3.932 0.102 20 0 "[ . 1 . 2]" 1
1778 1 137 LYS HA 1 137 LYS HG3 . . 3.530 3.548 2.980 3.909 0.379 9 0 "[ . 1 . 2]" 1
1779 1 137 LYS HA 1 139 THR H . . 5.250 4.646 4.408 4.939 . 0 0 "[ . 1 . 2]" 1
1780 1 137 LYS HA 1 140 ILE H . . 4.510 3.521 3.104 3.825 . 0 0 "[ . 1 . 2]" 1
1781 1 137 LYS HA 1 140 ILE MD . . 3.500 2.637 2.191 3.559 0.059 7 0 "[ . 1 . 2]" 1
1782 1 137 LYS HA 1 140 ILE MG . . 4.540 4.412 4.102 4.648 0.108 12 0 "[ . 1 . 2]" 1
1783 1 137 LYS QB 1 137 LYS QE . . 3.090 2.506 2.018 3.190 0.100 11 0 "[ . 1 . 2]" 1
1784 1 137 LYS QB 1 138 GLN H . . 3.240 2.914 2.495 3.337 0.097 11 0 "[ . 1 . 2]" 1
1785 1 137 LYS QD 1 137 LYS QE . . 2.400 2.081 2.015 2.121 . 0 0 "[ . 1 . 2]" 1
1786 1 137 LYS QD 1 137 LYS HG2 . . 2.400 2.321 2.105 2.519 0.119 19 0 "[ . 1 . 2]" 1
1787 1 137 LYS QE 1 137 LYS HG2 . . 3.750 2.804 2.066 3.522 . 0 0 "[ . 1 . 2]" 1
1788 1 137 LYS QE 1 137 LYS HG3 . . 3.410 2.890 2.195 3.496 0.086 19 0 "[ . 1 . 2]" 1
1789 1 137 LYS HG3 1 138 GLN H . . 4.780 3.754 1.912 4.971 0.191 5 0 "[ . 1 . 2]" 1
1790 1 138 GLN H 1 138 GLN HB2 . . 3.120 2.431 2.080 2.668 . 0 0 "[ . 1 . 2]" 1
1791 1 138 GLN H 1 138 GLN HB3 . . 3.160 2.560 2.271 2.926 . 0 0 "[ . 1 . 2]" 1
1792 1 138 GLN H 1 138 GLN HG2 . . 4.630 4.501 3.974 4.654 0.024 18 0 "[ . 1 . 2]" 1
1793 1 138 GLN H 1 138 GLN HG3 . . 4.660 4.468 4.328 4.602 . 0 0 "[ . 1 . 2]" 1
1794 1 138 GLN H 1 139 THR H . . 3.490 2.714 2.436 2.980 . 0 0 "[ . 1 . 2]" 1
1795 1 138 GLN HA 1 138 GLN HE21 . . 4.900 3.353 2.603 4.020 . 0 0 "[ . 1 . 2]" 1
1796 1 138 GLN HA 1 138 GLN HE22 . . 5.230 3.769 3.271 4.320 . 0 0 "[ . 1 . 2]" 1
1797 1 138 GLN HA 1 138 GLN HG3 . . 3.500 3.231 2.995 3.638 0.138 2 0 "[ . 1 . 2]" 1
1798 1 138 GLN HB2 1 138 GLN HG2 . . 2.820 2.449 2.400 2.531 . 0 0 "[ . 1 . 2]" 1
1799 1 138 GLN HB2 1 139 THR H . . 3.830 3.838 3.427 4.017 0.187 18 0 "[ . 1 . 2]" 1
1800 1 138 GLN HB3 1 138 GLN HG2 . . 2.860 2.521 2.271 3.050 0.190 11 0 "[ . 1 . 2]" 1
1801 1 138 GLN HB3 1 139 THR H . . 3.960 2.603 2.445 2.796 . 0 0 "[ . 1 . 2]" 1
1802 1 138 GLN HE21 1 138 GLN HG2 . . 3.660 3.162 2.137 3.591 . 0 0 "[ . 1 . 2]" 1
1803 1 138 GLN HE21 1 138 GLN HG3 . . 3.430 2.451 2.180 3.527 0.097 12 0 "[ . 1 . 2]" 1
1804 1 138 GLN HE21 1 141 GLN QB . . 3.910 3.141 2.385 3.990 0.080 20 0 "[ . 1 . 2]" 1
1805 1 138 GLN HE21 1 142 ASN H . . 5.290 3.994 3.146 5.351 0.061 11 0 "[ . 1 . 2]" 1
1806 1 138 GLN HE21 1 142 ASN QD . . 4.510 2.711 1.764 3.481 . 0 0 "[ . 1 . 2]" 1
1807 1 138 GLN HE22 1 138 GLN HG3 . . 3.910 3.617 3.511 4.103 0.193 12 0 "[ . 1 . 2]" 1
1808 1 138 GLN HE22 1 141 GLN QB . . 4.190 3.220 2.466 4.145 . 0 0 "[ . 1 . 2]" 1
1809 1 138 GLN HE22 1 142 ASN H . . 5.500 4.740 3.678 5.564 0.064 20 0 "[ . 1 . 2]" 1
1810 1 138 GLN HE22 1 142 ASN QD . . 4.450 3.609 1.869 4.383 . 0 0 "[ . 1 . 2]" 1
1811 1 138 GLN HG2 1 139 THR H . . 5.390 4.759 4.194 5.076 . 0 0 "[ . 1 . 2]" 1
1812 1 138 GLN HG2 1 142 ASN QD . . 5.500 3.961 3.434 4.783 . 0 0 "[ . 1 . 2]" 1
1813 1 138 GLN HG3 1 142 ASN QD . . 4.740 2.858 2.193 4.362 . 0 0 "[ . 1 . 2]" 1
1814 1 139 THR H 1 139 THR HB . . 3.370 2.620 2.310 2.872 . 0 0 "[ . 1 . 2]" 1
1815 1 139 THR H 1 139 THR MG . . 4.210 3.674 3.592 3.765 . 0 0 "[ . 1 . 2]" 1
1816 1 139 THR H 1 140 ILE H . . 3.160 2.810 2.597 2.960 . 0 0 "[ . 1 . 2]" 1
1817 1 139 THR H 1 140 ILE QG . . 4.980 4.366 3.854 4.636 . 0 0 "[ . 1 . 2]" 1
1818 1 139 THR HA 1 139 THR HB . . 3.020 3.035 3.009 3.051 0.031 13 0 "[ . 1 . 2]" 1
1819 1 139 THR HA 1 139 THR MG . . 3.030 2.332 2.119 2.476 . 0 0 "[ . 1 . 2]" 1
1820 1 139 THR HA 1 142 ASN QD . . 5.470 2.829 2.111 4.197 . 0 0 "[ . 1 . 2]" 1
1821 1 139 THR HB 1 140 ILE H . . 3.880 2.875 2.458 3.413 . 0 0 "[ . 1 . 2]" 1
1822 1 139 THR HB 1 140 ILE QG . . 5.070 3.391 2.796 3.895 . 0 0 "[ . 1 . 2]" 1
1823 1 139 THR MG 1 140 ILE H . . 4.110 3.852 3.478 4.213 0.103 19 0 "[ . 1 . 2]" 1
1824 1 139 THR MG 1 140 ILE HA . . 4.940 3.963 3.485 4.427 . 0 0 "[ . 1 . 2]" 1
1825 1 139 THR MG 1 142 ASN HB2 . . 4.970 3.766 3.001 5.168 0.198 19 0 "[ . 1 . 2]" 1
1826 1 139 THR MG 1 143 VAL H . . 5.440 4.206 3.853 4.711 . 0 0 "[ . 1 . 2]" 1
1827 1 139 THR MG 1 143 VAL MG2 . . 3.560 2.708 2.265 3.335 . 0 0 "[ . 1 . 2]" 1
1828 1 140 ILE H 1 140 ILE HB . . 3.180 2.613 2.333 2.924 . 0 0 "[ . 1 . 2]" 1
1829 1 140 ILE H 1 140 ILE MD . . 3.740 3.652 3.410 3.824 0.084 17 0 "[ . 1 . 2]" 1
1830 1 140 ILE H 1 140 ILE QG . . 4.000 2.299 1.993 2.761 . 0 0 "[ . 1 . 2]" 1
1831 1 140 ILE H 1 140 ILE MG . . 4.190 3.816 3.710 3.880 . 0 0 "[ . 1 . 2]" 1
1832 1 140 ILE H 1 141 GLN H . . 3.650 2.545 2.312 2.740 . 0 0 "[ . 1 . 2]" 1
1833 1 140 ILE H 1 142 ASN H . . 4.030 4.104 4.026 4.119 0.089 1 0 "[ . 1 . 2]" 1
1834 1 140 ILE HA 1 140 ILE MD . . 4.080 3.849 2.659 4.028 . 0 0 "[ . 1 . 2]" 1
1835 1 140 ILE HA 1 140 ILE MG . . 3.280 2.355 2.134 2.496 . 0 0 "[ . 1 . 2]" 1
1836 1 140 ILE HA 1 143 VAL H . . 4.270 3.454 3.211 3.914 . 0 0 "[ . 1 . 2]" 1
1837 1 140 ILE HA 1 143 VAL HB . . 3.460 2.821 2.387 3.494 0.034 10 0 "[ . 1 . 2]" 1
1838 1 140 ILE HA 1 143 VAL MG1 . . 4.930 4.106 3.727 4.689 . 0 0 "[ . 1 . 2]" 1
1839 1 140 ILE HA 1 143 VAL MG2 . . 4.050 3.334 2.276 3.871 . 0 0 "[ . 1 . 2]" 1
1840 1 140 ILE HB 1 140 ILE MD . . 3.570 2.465 2.286 3.264 . 0 0 "[ . 1 . 2]" 1
1841 1 140 ILE HB 1 141 GLN H . . 3.630 2.879 2.527 3.136 . 0 0 "[ . 1 . 2]" 1
1842 1 140 ILE MD 1 141 GLN H . . 5.150 4.785 4.534 4.974 . 0 0 "[ . 1 . 2]" 1
1843 1 140 ILE MG 1 141 GLN H . . 4.300 3.699 3.390 3.919 . 0 0 "[ . 1 . 2]" 1
1844 1 140 ILE MG 1 141 GLN HA . . 5.140 3.779 3.325 4.178 . 0 0 "[ . 1 . 2]" 1
1845 1 140 ILE MG 1 141 GLN QB . . 5.130 5.019 4.714 5.250 0.120 1 0 "[ . 1 . 2]" 1
1846 1 140 ILE MG 1 143 VAL H . . 5.500 4.673 4.391 4.910 . 0 0 "[ . 1 . 2]" 1
1847 1 140 ILE MG 1 143 VAL MG2 . . 4.680 4.506 3.692 4.810 0.130 7 0 "[ . 1 . 2]" 1
1848 1 140 ILE MG 1 144 LYS H . . 4.480 4.442 3.786 4.589 0.109 7 0 "[ . 1 . 2]" 1
1849 1 140 ILE MG 1 144 LYS QE . . 3.720 2.783 2.006 3.851 0.131 19 0 "[ . 1 . 2]" 1
1850 1 140 ILE MG 1 144 LYS HG2 . . 5.040 4.737 4.030 5.130 0.090 1 0 "[ . 1 . 2]" 1
1851 1 141 GLN H 1 141 GLN QB . . 2.910 2.541 2.303 2.699 . 0 0 "[ . 1 . 2]" 1
1852 1 141 GLN H 1 141 GLN HG2 . . 3.710 2.547 2.035 3.512 . 0 0 "[ . 1 . 2]" 1
1853 1 141 GLN H 1 141 GLN HG3 . . 3.680 3.047 2.400 3.797 0.117 8 0 "[ . 1 . 2]" 1
1854 1 141 GLN H 1 142 ASN H . . 3.350 2.605 2.403 2.851 . 0 0 "[ . 1 . 2]" 1
1855 1 141 GLN HA 1 141 GLN QB . . 2.570 2.337 2.273 2.469 . 0 0 "[ . 1 . 2]" 1
1856 1 141 GLN HA 1 141 GLN HG2 . . 3.290 2.744 2.225 3.616 0.326 8 0 "[ . 1 . 2]" 1
1857 1 141 GLN HA 1 142 ASN H . . 3.380 3.460 3.433 3.475 0.095 1 0 "[ . 1 . 2]" 1
1858 1 141 GLN HA 1 143 VAL H . . 5.250 4.472 4.217 4.689 . 0 0 "[ . 1 . 2]" 1
1859 1 141 GLN HA 1 144 LYS HB2 . . 3.410 3.494 3.121 4.279 0.869 19 1 "[ . 1 . +2]" 1
1860 1 141 GLN HA 1 144 LYS QE . . 3.570 1.949 1.717 2.562 . 0 0 "[ . 1 . 2]" 1
1861 1 141 GLN QB 1 141 GLN HE22 . . 4.880 4.058 3.411 4.509 . 0 0 "[ . 1 . 2]" 1
1862 1 141 GLN QB 1 141 GLN HG2 . . 2.530 2.477 2.181 2.578 0.048 14 0 "[ . 1 . 2]" 1
1863 1 141 GLN QB 1 141 GLN HG3 . . 2.580 2.180 2.071 2.403 . 0 0 "[ . 1 . 2]" 1
1864 1 141 GLN QB 1 142 ASN H . . 3.160 2.457 2.116 3.018 . 0 0 "[ . 1 . 2]" 1
1865 1 141 GLN HE21 1 141 GLN HG2 . . 3.660 2.577 2.120 3.646 . 0 0 "[ . 1 . 2]" 1
1866 1 141 GLN HE21 1 141 GLN HG3 . . 3.530 2.948 2.243 3.486 . 0 0 "[ . 1 . 2]" 1
1867 1 141 GLN HE21 1 144 LYS QE . . 5.500 4.412 2.578 5.594 0.094 14 0 "[ . 1 . 2]" 1
1868 1 141 GLN HE22 1 141 GLN HG2 . . 4.060 3.647 3.437 4.134 0.074 7 0 "[ . 1 . 2]" 1
1869 1 141 GLN HE22 1 141 GLN HG3 . . 3.950 3.790 3.447 4.027 0.077 9 0 "[ . 1 . 2]" 1
1870 1 141 GLN HE22 1 144 LYS QE . . 5.500 4.849 2.606 5.601 0.101 20 0 "[ . 1 . 2]" 1
1871 1 141 GLN HG2 1 144 LYS QE . . 3.960 3.746 2.719 4.591 0.631 8 1 "[ . + 1 . 2]" 1
1872 1 141 GLN HG3 1 142 ASN H . . 4.460 4.421 4.000 5.124 0.664 8 1 "[ . + 1 . 2]" 1
1873 1 142 ASN H 1 142 ASN HB2 . . 3.210 2.622 2.238 3.642 0.432 19 0 "[ . 1 . 2]" 1
1874 1 142 ASN H 1 142 ASN HB3 . . 3.590 3.580 2.489 3.677 0.087 1 0 "[ . 1 . 2]" 1
1875 1 142 ASN H 1 142 ASN QD . . 5.020 3.090 2.150 4.105 . 0 0 "[ . 1 . 2]" 1
1876 1 142 ASN HA 1 142 ASN HB3 . . 2.960 2.480 2.156 2.633 . 0 0 "[ . 1 . 2]" 1
1877 1 142 ASN HA 1 143 VAL MG2 . . 5.410 5.070 4.937 5.319 . 0 0 "[ . 1 . 2]" 1
1878 1 142 ASN HA 1 145 GLU H . . 3.990 3.429 2.776 3.702 . 0 0 "[ . 1 . 2]" 1
1879 1 142 ASN HA 1 145 GLU HG3 . . 4.250 3.014 2.334 4.097 . 0 0 "[ . 1 . 2]" 1
1880 1 142 ASN HA 1 146 GLU H . . 4.580 4.482 4.139 4.658 0.078 5 0 "[ . 1 . 2]" 1
1881 1 142 ASN HB2 1 143 VAL H . . 3.890 2.818 2.346 3.968 0.078 19 0 "[ . 1 . 2]" 1
1882 1 142 ASN HB2 1 143 VAL MG2 . . 5.500 3.467 3.011 4.589 . 0 0 "[ . 1 . 2]" 1
1883 1 142 ASN HB3 1 143 VAL H . . 4.430 3.636 3.333 4.156 . 0 0 "[ . 1 . 2]" 1
1884 1 142 ASN HB3 1 145 GLU HB2 . . 4.570 4.690 4.348 5.555 0.985 20 3 "[* . 1 . -+]" 1
1885 1 142 ASN QD 1 143 VAL H . . 4.920 4.595 4.278 4.780 . 0 0 "[ . 1 . 2]" 1
1886 1 143 VAL H 1 143 VAL HB . . 3.310 2.344 2.246 2.607 . 0 0 "[ . 1 . 2]" 1
1887 1 143 VAL H 1 143 VAL MG1 . . 4.440 3.756 3.700 3.874 . 0 0 "[ . 1 . 2]" 1
1888 1 143 VAL H 1 143 VAL MG2 . . 3.070 2.416 2.179 2.795 . 0 0 "[ . 1 . 2]" 1
1889 1 143 VAL H 1 144 LYS QE . . 4.450 4.540 4.451 4.570 0.120 19 0 "[ . 1 . 2]" 1
1890 1 143 VAL HA 1 143 VAL MG1 . . 3.270 2.574 2.321 2.654 . 0 0 "[ . 1 . 2]" 1
1891 1 143 VAL HA 1 143 VAL MG2 . . 3.130 2.256 2.128 2.381 . 0 0 "[ . 1 . 2]" 1
1892 1 143 VAL HA 1 146 GLU H . . 4.330 3.435 3.048 3.830 . 0 0 "[ . 1 . 2]" 1
1893 1 143 VAL HA 1 146 GLU HB2 . . 4.500 2.945 2.187 4.591 0.091 6 0 "[ . 1 . 2]" 1
1894 1 143 VAL HB 1 144 LYS H . . 3.550 3.011 2.556 3.259 . 0 0 "[ . 1 . 2]" 1
1895 1 143 VAL HB 1 147 ASN HD22 . . 5.500 5.178 4.636 5.953 0.453 6 0 "[ . 1 . 2]" 1
1896 1 143 VAL MG1 1 144 LYS H . . 3.500 3.493 3.342 3.597 0.097 4 0 "[ . 1 . 2]" 1
1897 1 143 VAL MG1 1 144 LYS HA . . 4.610 3.511 3.362 3.676 . 0 0 "[ . 1 . 2]" 1
1898 1 143 VAL MG1 1 146 GLU H . . 5.500 4.872 4.520 5.241 . 0 0 "[ . 1 . 2]" 1
1899 1 143 VAL MG1 1 147 ASN H . . 5.250 3.890 3.578 4.228 . 0 0 "[ . 1 . 2]" 1
1900 1 143 VAL MG1 1 147 ASN HD21 . . 3.690 3.149 2.310 3.756 0.066 12 0 "[ . 1 . 2]" 1
1901 1 143 VAL MG1 1 147 ASN HD22 . . 3.930 2.670 2.133 3.773 . 0 0 "[ . 1 . 2]" 1
1902 1 143 VAL MG2 1 144 LYS H . . 4.630 4.160 3.828 4.299 . 0 0 "[ . 1 . 2]" 1
1903 1 143 VAL MG2 1 146 GLU H . . 5.500 5.106 4.810 5.577 0.077 10 0 "[ . 1 . 2]" 1
1904 1 144 LYS H 1 144 LYS HB2 . . 3.040 2.379 2.291 2.650 . 0 0 "[ . 1 . 2]" 1
1905 1 144 LYS H 1 144 LYS HG2 . . 4.170 3.844 3.527 4.237 0.067 19 0 "[ . 1 . 2]" 1
1906 1 144 LYS H 1 144 LYS HG3 . . 4.910 2.635 2.257 4.480 . 0 0 "[ . 1 . 2]" 1
1907 1 144 LYS H 1 145 GLU H . . 3.430 2.692 2.578 2.850 . 0 0 "[ . 1 . 2]" 1
1908 1 144 LYS HA 1 144 LYS HG2 . . 3.820 2.621 2.385 2.974 . 0 0 "[ . 1 . 2]" 1
1909 1 144 LYS HA 1 144 LYS HG3 . . 3.670 2.829 2.532 3.169 . 0 0 "[ . 1 . 2]" 1
1910 1 144 LYS HA 1 147 ASN H . . 3.960 3.555 3.134 3.818 . 0 0 "[ . 1 . 2]" 1
1911 1 144 LYS HA 1 147 ASN QB . . 3.640 2.580 2.145 3.545 . 0 0 "[ . 1 . 2]" 1
1912 1 144 LYS HA 1 147 ASN HD22 . . 4.100 3.946 2.272 4.184 0.084 16 0 "[ . 1 . 2]" 1
1913 1 144 LYS HA 1 148 ALA H . . 4.840 4.320 3.639 4.903 0.063 7 0 "[ . 1 . 2]" 1
1914 1 144 LYS HB2 1 144 LYS QD . . 3.310 2.655 2.063 3.030 . 0 0 "[ . 1 . 2]" 1
1915 1 144 LYS HB2 1 144 LYS QE . . 3.230 2.389 1.959 3.328 0.098 13 0 "[ . 1 . 2]" 1
1916 1 144 LYS HB2 1 145 GLU H . . 3.570 3.113 2.562 4.232 0.662 19 1 "[ . 1 . +2]" 1
1917 1 144 LYS HB3 1 144 LYS QD . . 2.940 2.549 2.353 2.683 . 0 0 "[ . 1 . 2]" 1
1918 1 144 LYS QD 1 144 LYS QE . . 2.460 2.075 2.012 2.144 . 0 0 "[ . 1 . 2]" 1
1919 1 144 LYS QD 1 144 LYS HG2 . . 2.400 2.206 2.147 2.361 . 0 0 "[ . 1 . 2]" 1
1920 1 144 LYS QE 1 144 LYS HG2 . . 3.830 3.244 1.946 3.452 . 0 0 "[ . 1 . 2]" 1
1921 1 144 LYS QE 1 144 LYS HG3 . . 2.870 2.303 1.972 3.001 0.131 19 0 "[ . 1 . 2]" 1
1922 1 144 LYS HG3 1 145 GLU H . . 4.970 4.737 4.372 4.995 0.025 19 0 "[ . 1 . 2]" 1
1923 1 144 LYS HG3 1 147 ASN HD21 . . 4.870 4.675 4.130 5.225 0.355 6 0 "[ . 1 . 2]" 1
1924 1 145 GLU H 1 145 GLU HB2 . . 3.130 2.643 2.317 3.764 0.634 1 2 "[+ . 1 . -]" 1
1925 1 145 GLU H 1 145 GLU HG2 . . 3.140 3.031 2.025 3.223 0.083 13 0 "[ . 1 . 2]" 1
1926 1 145 GLU H 1 145 GLU HG3 . . 3.130 2.249 1.914 3.230 0.100 20 0 "[ . 1 . 2]" 1
1927 1 145 GLU H 1 147 ASN H . . 4.840 3.957 3.678 4.207 . 0 0 "[ . 1 . 2]" 1
1928 1 145 GLU H 1 148 ALA MB . . 4.850 4.769 4.534 4.948 0.098 1 0 "[ . 1 . 2]" 1
1929 1 145 GLU HA 1 145 GLU HB3 . . 2.810 2.420 2.368 2.505 . 0 0 "[ . 1 . 2]" 1
1930 1 145 GLU HA 1 145 GLU HG2 . . 3.250 2.606 2.292 3.454 0.204 1 0 "[ . 1 . 2]" 1
1931 1 145 GLU HA 1 145 GLU HG3 . . 3.350 3.251 2.955 3.433 0.083 19 0 "[ . 1 . 2]" 1
1932 1 145 GLU HA 1 148 ALA H . . 3.570 3.403 2.941 3.655 0.085 9 0 "[ . 1 . 2]" 1
1933 1 145 GLU HA 1 148 ALA MB . . 3.260 2.727 2.285 2.976 . 0 0 "[ . 1 . 2]" 1
1934 1 145 GLU HB2 1 145 GLU HG3 . . 2.620 2.440 2.250 2.588 . 0 0 "[ . 1 . 2]" 1
1935 1 145 GLU HB3 1 148 ALA MB . . 4.680 4.421 3.885 4.774 0.094 6 0 "[ . 1 . 2]" 1
1936 1 146 GLU H 1 146 GLU HB2 . . 3.320 2.479 2.218 3.418 0.098 6 0 "[ . 1 . 2]" 1
1937 1 146 GLU H 1 146 GLU HG2 . . 3.330 2.669 1.908 3.407 0.077 19 0 "[ . 1 . 2]" 1
1938 1 146 GLU H 1 146 GLU HG3 . . 3.200 3.002 1.937 3.410 0.210 18 0 "[ . 1 . 2]" 1
1939 1 146 GLU H 1 147 ASN H . . 3.370 2.803 2.685 2.930 . 0 0 "[ . 1 . 2]" 1
1940 1 146 GLU HA 1 146 GLU HB2 . . 2.950 2.986 2.373 3.027 0.077 4 0 "[ . 1 . 2]" 1
1941 1 146 GLU HA 1 146 GLU HG3 . . 3.430 3.585 3.229 3.948 0.518 5 1 "[ + 1 . 2]" 1
1942 1 146 GLU HA 1 149 ALA MB . . 3.510 3.084 2.766 3.583 0.073 5 0 "[ . 1 . 2]" 1
1943 1 146 GLU HB2 1 146 GLU HG2 . . 2.880 2.732 2.404 2.964 0.084 3 0 "[ . 1 . 2]" 1
1944 1 146 GLU HB2 1 147 ASN H . . 3.840 2.477 2.189 3.440 . 0 0 "[ . 1 . 2]" 1
1945 1 146 GLU HB2 1 147 ASN QB . . 5.050 4.512 3.996 4.871 . 0 0 "[ . 1 . 2]" 1
1946 1 146 GLU HB3 1 146 GLU HG2 . . 2.900 2.824 2.183 3.038 0.138 7 0 "[ . 1 . 2]" 1
1947 1 146 GLU HB3 1 146 GLU HG3 . . 2.960 2.727 2.396 2.995 0.035 16 0 "[ . 1 . 2]" 1
1948 1 146 GLU HB3 1 147 ASN H . . 3.700 3.393 2.991 3.786 0.086 6 0 "[ . 1 . 2]" 1
1949 1 146 GLU HG3 1 147 ASN H . . 4.720 4.412 1.910 4.793 0.073 9 0 "[ . 1 . 2]" 1
1950 1 147 ASN H 1 147 ASN QB . . 3.480 2.402 2.291 2.514 . 0 0 "[ . 1 . 2]" 1
1951 1 147 ASN H 1 148 ALA H . . 3.530 2.835 2.670 2.969 . 0 0 "[ . 1 . 2]" 1
1952 1 147 ASN H 1 148 ALA MB . . 4.980 4.496 4.272 4.639 . 0 0 "[ . 1 . 2]" 1
1953 1 147 ASN H 1 149 ALA H . . 5.040 4.449 4.144 4.689 . 0 0 "[ . 1 . 2]" 1
1954 1 147 ASN HA 1 150 PHE H . . 4.040 3.453 3.174 3.707 . 0 0 "[ . 1 . 2]" 1
1955 1 147 ASN HA 1 150 PHE HB2 . . 4.120 3.493 2.910 4.186 0.066 20 0 "[ . 1 . 2]" 1
1956 1 147 ASN HA 1 150 PHE HB3 . . 3.960 2.799 2.576 3.246 . 0 0 "[ . 1 . 2]" 1
1957 1 147 ASN HA 1 151 LYS H . . 4.750 4.036 3.682 4.468 . 0 0 "[ . 1 . 2]" 1
1958 1 147 ASN QB 1 148 ALA H . . 3.930 3.023 2.610 3.636 . 0 0 "[ . 1 . 2]" 1
1959 1 147 ASN QB 1 148 ALA MB . . 4.880 4.008 3.697 4.540 . 0 0 "[ . 1 . 2]" 1
1960 1 147 ASN QB 1 151 LYS H . . 5.200 4.547 4.119 4.989 . 0 0 "[ . 1 . 2]" 1
1961 1 148 ALA H 1 148 ALA MB . . 2.700 2.257 2.118 2.318 . 0 0 "[ . 1 . 2]" 1
1962 1 148 ALA H 1 149 ALA H . . 3.400 2.526 2.256 2.935 . 0 0 "[ . 1 . 2]" 1
1963 1 148 ALA HA 1 151 LYS H . . 3.990 3.511 3.275 3.796 . 0 0 "[ . 1 . 2]" 1
1964 1 148 ALA HA 1 151 LYS QB . . 3.790 3.589 2.450 3.892 0.102 6 0 "[ . 1 . 2]" 1
1965 1 148 ALA HA 1 151 LYS QD . . 3.560 2.960 1.792 3.667 0.107 18 0 "[ . 1 . 2]" 1
1966 1 148 ALA HA 1 151 LYS QE . . 3.470 2.666 1.869 3.472 0.002 9 0 "[ . 1 . 2]" 1
1967 1 148 ALA HA 1 152 GLU H . . 4.650 4.407 3.853 4.728 0.078 9 0 "[ . 1 . 2]" 1
1968 1 149 ALA H 1 149 ALA MB . . 2.590 2.227 2.164 2.290 . 0 0 "[ . 1 . 2]" 1
1969 1 149 ALA H 1 150 PHE H . . 3.400 2.686 2.437 2.876 . 0 0 "[ . 1 . 2]" 1
1970 1 149 ALA H 1 150 PHE HB3 . . 5.310 4.854 4.525 5.207 . 0 0 "[ . 1 . 2]" 1
1971 1 149 ALA H 1 151 LYS H . . 4.960 4.356 4.109 4.812 . 0 0 "[ . 1 . 2]" 1
1972 1 149 ALA H 1 152 GLU HB2 . . 5.360 5.138 4.870 5.408 0.048 14 0 "[ . 1 . 2]" 1
1973 1 149 ALA HA 1 152 GLU H . . 3.870 3.585 3.278 3.858 . 0 0 "[ . 1 . 2]" 1
1974 1 149 ALA HA 1 152 GLU HB3 . . 3.530 3.287 2.452 3.614 0.084 6 0 "[ . 1 . 2]" 1
1975 1 149 ALA HA 1 152 GLU HG3 . . 5.170 5.036 4.079 5.743 0.573 16 1 "[ . 1 .+ 2]" 1
1976 1 149 ALA MB 1 150 PHE H . . 3.190 2.499 2.265 3.213 0.023 17 0 "[ . 1 . 2]" 1
1977 1 149 ALA MB 1 153 ILE MD . . 4.680 4.001 2.339 4.769 0.089 8 0 "[ . 1 . 2]" 1
1978 1 150 PHE H 1 150 PHE HB2 . . 3.330 2.522 2.371 2.737 . 0 0 "[ . 1 . 2]" 1
1979 1 150 PHE H 1 150 PHE HB3 . . 3.380 2.592 2.385 2.846 . 0 0 "[ . 1 . 2]" 1
1980 1 150 PHE H 1 150 PHE QD . . 4.530 4.226 4.140 4.264 . 0 0 "[ . 1 . 2]" 1
1981 1 150 PHE H 1 151 LYS H . . 3.550 2.955 2.428 3.137 . 0 0 "[ . 1 . 2]" 1
1982 1 150 PHE H 1 152 GLU H . . 5.430 4.125 3.662 4.357 . 0 0 "[ . 1 . 2]" 1
1983 1 150 PHE H 1 152 GLU HB2 . . 5.500 5.414 4.769 5.565 0.065 1 0 "[ . 1 . 2]" 1
1984 1 150 PHE HA 1 150 PHE QD . . 4.000 3.003 2.632 3.296 . 0 0 "[ . 1 . 2]" 1
1985 1 150 PHE HB2 1 151 LYS H . . 3.960 3.813 3.638 4.015 0.055 9 0 "[ . 1 . 2]" 1
1986 1 150 PHE HB3 1 151 LYS H . . 3.810 2.436 2.183 2.667 . 0 0 "[ . 1 . 2]" 1
1987 1 150 PHE QD 1 151 LYS H . . 4.610 3.080 2.397 3.409 . 0 0 "[ . 1 . 2]" 1
1988 1 150 PHE QD 1 151 LYS HA . . 3.300 2.850 2.483 3.379 0.079 10 0 "[ . 1 . 2]" 1
1989 1 150 PHE QD 1 151 LYS QB . . 4.940 3.385 2.808 4.451 . 0 0 "[ . 1 . 2]" 1
1990 1 150 PHE QD 1 151 LYS QE . . 5.500 4.858 4.316 5.393 . 0 0 "[ . 1 . 2]" 1
1991 1 150 PHE QE 1 151 LYS HA . . 4.170 4.142 3.703 4.272 0.102 19 0 "[ . 1 . 2]" 1
1992 1 151 LYS H 1 151 LYS QB . . 3.360 2.314 2.111 2.581 . 0 0 "[ . 1 . 2]" 1
1993 1 151 LYS H 1 151 LYS QD . . 4.440 4.166 3.318 4.472 0.032 13 0 "[ . 1 . 2]" 1
1994 1 151 LYS H 1 151 LYS QE . . 4.540 3.515 3.077 4.185 . 0 0 "[ . 1 . 2]" 1
1995 1 151 LYS H 1 151 LYS HG2 . . 4.010 2.770 2.339 3.626 . 0 0 "[ . 1 . 2]" 1
1996 1 151 LYS H 1 151 LYS HG3 . . 3.700 3.545 2.179 4.095 0.395 15 0 "[ . 1 . 2]" 1
1997 1 151 LYS H 1 152 GLU H . . 3.630 2.800 2.582 3.001 . 0 0 "[ . 1 . 2]" 1
1998 1 151 LYS H 1 153 ILE H . . 5.250 4.493 4.237 4.840 . 0 0 "[ . 1 . 2]" 1
1999 1 151 LYS H 1 154 HIS H . . 4.960 4.832 4.562 5.008 0.048 14 0 "[ . 1 . 2]" 1
2000 1 151 LYS HA 1 151 LYS QE . . 5.050 4.445 4.217 4.713 . 0 0 "[ . 1 . 2]" 1
2001 1 151 LYS HA 1 151 LYS HG2 . . 4.150 3.568 2.524 3.862 . 0 0 "[ . 1 . 2]" 1
2002 1 151 LYS HA 1 151 LYS HG3 . . 3.480 3.501 2.999 3.723 0.243 9 0 "[ . 1 . 2]" 1
2003 1 151 LYS HA 1 154 HIS H . . 4.100 3.252 2.560 3.816 . 0 0 "[ . 1 . 2]" 1
2004 1 151 LYS QB 1 151 LYS QE . . 3.040 2.179 1.878 2.928 . 0 0 "[ . 1 . 2]" 1
2005 1 151 LYS QB 1 152 GLU H . . 4.690 3.697 2.795 3.989 . 0 0 "[ . 1 . 2]" 1
2006 1 151 LYS QE 1 151 LYS HG2 . . 3.140 2.682 2.176 3.336 0.196 15 0 "[ . 1 . 2]" 1
2007 1 151 LYS HG2 1 152 GLU H . . 5.500 3.358 2.529 5.326 . 0 0 "[ . 1 . 2]" 1
2008 1 151 LYS HG3 1 152 GLU H . . 4.530 3.645 2.691 4.610 0.080 5 0 "[ . 1 . 2]" 1
2009 1 152 GLU H 1 152 GLU HB2 . . 3.010 2.368 2.137 2.558 . 0 0 "[ . 1 . 2]" 1
2010 1 152 GLU H 1 152 GLU HB3 . . 3.040 2.632 2.314 3.049 0.009 6 0 "[ . 1 . 2]" 1
2011 1 152 GLU H 1 153 ILE H . . 3.380 2.525 2.231 2.909 . 0 0 "[ . 1 . 2]" 1
2012 1 152 GLU H 1 153 ILE HG13 . . 5.500 3.920 3.452 4.544 . 0 0 "[ . 1 . 2]" 1
2013 1 152 GLU H 1 154 HIS H . . 4.210 4.065 3.622 4.272 0.062 11 0 "[ . 1 . 2]" 1
2014 1 152 GLU HA 1 152 GLU HB2 . . 2.950 2.567 2.412 2.765 . 0 0 "[ . 1 . 2]" 1
2015 1 152 GLU HA 1 152 GLU HG3 . . 3.280 2.807 2.130 3.366 0.086 6 0 "[ . 1 . 2]" 1
2016 1 152 GLU HB2 1 153 ILE H . . 3.920 3.762 3.292 3.998 0.078 8 0 "[ . 1 . 2]" 1
2017 1 152 GLU HB3 1 153 ILE H . . 3.800 2.712 2.205 3.204 . 0 0 "[ . 1 . 2]" 1
2018 1 152 GLU HB3 1 153 ILE MD . . 4.240 4.044 3.702 4.329 0.089 6 0 "[ . 1 . 2]" 1
2019 1 153 ILE H 1 153 ILE HB . . 3.320 2.535 2.358 2.763 . 0 0 "[ . 1 . 2]" 1
2020 1 153 ILE H 1 153 ILE MD . . 4.150 3.656 3.273 3.959 . 0 0 "[ . 1 . 2]" 1
2021 1 153 ILE H 1 153 ILE HG12 . . 3.530 3.349 2.792 3.596 0.066 1 0 "[ . 1 . 2]" 1
2022 1 153 ILE H 1 153 ILE HG13 . . 3.310 2.208 1.889 2.441 . 0 0 "[ . 1 . 2]" 1
2023 1 153 ILE H 1 153 ILE MG . . 4.660 3.798 3.744 3.931 . 0 0 "[ . 1 . 2]" 1
2024 1 153 ILE H 1 154 HIS H . . 3.060 2.395 2.020 2.716 . 0 0 "[ . 1 . 2]" 1
2025 1 153 ILE H 1 154 HIS HA . . 5.500 5.039 4.705 5.315 . 0 0 "[ . 1 . 2]" 1
2026 1 153 ILE HA 1 153 ILE HB . . 2.940 3.006 2.984 3.017 0.077 1 0 "[ . 1 . 2]" 1
2027 1 153 ILE HA 1 153 ILE MD . . 4.030 3.915 3.799 4.033 0.003 14 0 "[ . 1 . 2]" 1
2028 1 153 ILE HA 1 153 ILE HG12 . . 3.860 2.672 2.525 2.896 . 0 0 "[ . 1 . 2]" 1
2029 1 153 ILE HA 1 153 ILE HG13 . . 3.890 3.235 2.893 3.549 . 0 0 "[ . 1 . 2]" 1
2030 1 153 ILE HA 1 153 ILE MG . . 2.920 2.373 2.271 2.514 . 0 0 "[ . 1 . 2]" 1
2031 1 153 ILE HA 1 154 HIS QB . . 5.220 5.149 4.752 5.315 0.095 15 0 "[ . 1 . 2]" 1
2032 1 153 ILE HA 1 155 PRO HD3 . . 4.450 3.988 3.267 4.509 0.059 1 0 "[ . 1 . 2]" 1
2033 1 153 ILE HB 1 153 ILE MD . . 3.020 2.488 2.359 2.635 . 0 0 "[ . 1 . 2]" 1
2034 1 153 ILE HB 1 154 HIS H . . 3.860 2.481 2.280 3.017 . 0 0 "[ . 1 . 2]" 1
2035 1 153 ILE HB 1 154 HIS HD2 . . 4.240 3.860 2.872 4.318 0.078 7 0 "[ . 1 . 2]" 1
2036 1 153 ILE HB 1 155 PRO HD3 . . 4.960 5.033 4.959 5.047 0.087 3 0 "[ . 1 . 2]" 1
2037 1 153 ILE MD 1 153 ILE MG . . 2.690 2.087 2.040 2.141 . 0 0 "[ . 1 . 2]" 1
2038 1 153 ILE MD 1 154 HIS H . . 4.940 4.481 4.114 5.006 0.066 15 0 "[ . 1 . 2]" 1
2039 1 153 ILE HG12 1 153 ILE MG . . 3.270 2.438 2.289 2.593 . 0 0 "[ . 1 . 2]" 1
2040 1 153 ILE HG12 1 154 HIS H . . 5.190 4.867 4.511 5.215 0.025 16 0 "[ . 1 . 2]" 1
2041 1 153 ILE HG13 1 153 ILE MG . . 3.620 3.241 3.203 3.258 . 0 0 "[ . 1 . 2]" 1
2042 1 153 ILE HG13 1 154 HIS H . . 4.490 4.021 3.562 4.431 . 0 0 "[ . 1 . 2]" 1
2043 1 153 ILE MG 1 154 HIS H . . 4.230 3.586 3.200 4.039 . 0 0 "[ . 1 . 2]" 1
2044 1 153 ILE MG 1 154 HIS HD2 . . 4.680 3.074 2.201 4.396 . 0 0 "[ . 1 . 2]" 1
2045 1 154 HIS H 1 154 HIS HB2 . . 4.040 2.739 2.336 3.858 . 0 0 "[ . 1 . 2]" 1
2046 1 154 HIS H 1 154 HIS HD2 . . 5.390 4.233 3.682 4.720 . 0 0 "[ . 1 . 2]" 1
2047 1 154 HIS H 1 155 PRO HD2 . . 4.920 3.986 3.615 4.306 . 0 0 "[ . 1 . 2]" 1
2048 1 154 HIS H 1 155 PRO HD3 . . 4.600 3.155 2.622 3.467 . 0 0 "[ . 1 . 2]" 1
2049 1 154 HIS HA 1 155 PRO HD2 . . 3.240 2.204 2.089 2.432 . 0 0 "[ . 1 . 2]" 1
2050 1 154 HIS HA 1 155 PRO HD3 . . 3.530 3.005 2.666 3.300 . 0 0 "[ . 1 . 2]" 1
2051 1 154 HIS HA 1 155 PRO QG . . 4.140 4.021 3.922 4.199 0.059 15 0 "[ . 1 . 2]" 1
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