NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
467593 |
2kys   |
16981 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kys
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 1735
_Distance_constraint_stats_list.Viol_count 3202
_Distance_constraint_stats_list.Viol_total 4948.463
_Distance_constraint_stats_list.Viol_max 0.972
_Distance_constraint_stats_list.Viol_rms 0.0332
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0071
_Distance_constraint_stats_list.Viol_average_violations_only 0.0773
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 HIS 0.214 0.073 1 0 "[ . 1 . 2]"
1 3 SER 1.547 0.126 2 0 "[ . 1 . 2]"
1 4 LYS 3.572 0.508 13 1 "[ . 1 + . 2]"
1 5 MET 5.824 0.549 8 2 "[ . + 1 - . 2]"
1 6 SER 4.870 0.549 8 1 "[ . + 1 . 2]"
1 7 ASP 5.594 0.361 8 0 "[ . 1 . 2]"
1 8 VAL 5.708 0.114 16 0 "[ . 1 . 2]"
1 9 LYS 12.300 0.687 11 4 "[ . * 1+ .- *]"
1 10 CYS 0.629 0.086 20 0 "[ . 1 . 2]"
1 11 THR 2.806 0.135 7 0 "[ . 1 . 2]"
1 12 SER 3.659 0.104 15 0 "[ . 1 . 2]"
1 13 VAL 7.799 0.138 6 0 "[ . 1 . 2]"
1 14 VAL 3.447 0.502 4 1 "[ +. 1 . 2]"
1 15 LEU 4.469 0.584 15 1 "[ . 1 + 2]"
1 16 LEU 4.261 0.584 15 1 "[ . 1 + 2]"
1 17 SER 4.352 0.138 6 0 "[ . 1 . 2]"
1 18 VAL 2.804 0.153 13 0 "[ . 1 . 2]"
1 19 LEU 1.367 0.090 13 0 "[ . 1 . 2]"
1 20 GLN 1.213 0.093 17 0 "[ . 1 . 2]"
1 21 GLN 10.245 0.942 15 2 "[ .- 1 + 2]"
1 22 LEU 4.551 0.716 10 2 "[ - + . 2]"
1 23 ARG 17.234 0.805 10 5 "[ - * + * * 2]"
1 24 VAL 4.806 0.670 7 1 "[ . + 1 . 2]"
1 25 GLU 8.328 0.370 12 0 "[ . 1 . 2]"
1 26 SER 2.690 0.905 5 3 "[ +- *1 . 2]"
1 27 SER 2.791 0.905 5 3 "[ +- *1 . 2]"
1 28 SER 0.222 0.071 12 0 "[ . 1 . 2]"
1 29 LYS 10.972 0.972 5 2 "[ - + 1 . 2]"
1 30 LEU 8.282 0.972 5 2 "[ - + 1 . 2]"
1 31 TRP 6.498 0.101 8 0 "[ . 1 . 2]"
1 32 ALA 8.814 0.127 7 0 "[ . 1 . 2]"
1 33 GLN 9.545 0.503 2 1 "[ + . 1 . 2]"
1 34 CYS 4.843 0.127 7 0 "[ . 1 . 2]"
1 35 VAL 2.730 0.108 8 0 "[ . 1 . 2]"
1 36 GLN 4.164 0.108 8 0 "[ . 1 . 2]"
1 37 LEU 3.501 0.096 17 0 "[ . 1 . 2]"
1 38 HIS 3.777 0.085 6 0 "[ . 1 . 2]"
1 39 ASN 6.794 0.781 6 5 "[- * .+* 1 * . 2]"
1 40 ASP 2.444 0.092 15 0 "[ . 1 . 2]"
1 41 ILE 11.036 0.140 20 0 "[ . 1 . 2]"
1 42 LEU 8.351 0.781 6 5 "[- * .+* 1 * . 2]"
1 43 LEU 1.827 0.096 3 0 "[ . 1 . 2]"
1 44 ALA 4.608 0.120 14 0 "[ . 1 . 2]"
1 45 LYS 2.299 0.123 9 0 "[ . 1 . 2]"
1 46 ASP 3.523 0.124 15 0 "[ . 1 . 2]"
1 47 THR 11.849 0.141 2 0 "[ . 1 . 2]"
1 48 THR 2.664 0.095 13 0 "[ . 1 . 2]"
1 49 GLU 7.281 0.121 11 0 "[ . 1 . 2]"
1 50 ALA 1.126 0.108 17 0 "[ . 1 . 2]"
1 51 PHE 7.182 0.350 14 0 "[ . 1 . 2]"
1 52 GLU 5.164 0.097 13 0 "[ . 1 . 2]"
1 53 LYS 2.576 0.309 6 0 "[ . 1 . 2]"
1 54 MET 9.639 0.350 14 0 "[ . 1 . 2]"
1 55 VAL 2.916 0.352 6 0 "[ . 1 . 2]"
1 56 SER 0.800 0.098 16 0 "[ . 1 . 2]"
1 57 LEU 4.994 0.334 9 0 "[ . 1 . 2]"
1 58 LEU 10.017 0.352 6 0 "[ . 1 . 2]"
1 59 SER 7.298 0.317 13 0 "[ . 1 . 2]"
1 60 VAL 3.453 0.102 15 0 "[ . 1 . 2]"
1 61 LEU 1.596 0.124 13 0 "[ . 1 . 2]"
1 62 LEU 8.053 0.191 15 0 "[ . 1 . 2]"
1 63 SER 4.477 0.100 2 0 "[ . 1 . 2]"
1 64 MET 8.447 0.326 6 0 "[ . 1 . 2]"
1 65 GLN 4.051 0.326 6 0 "[ . 1 . 2]"
1 66 GLY 0.912 0.088 2 0 "[ . 1 . 2]"
1 67 ALA 3.315 0.187 20 0 "[ . 1 . 2]"
1 68 VAL 5.699 0.942 15 2 "[ .- 1 + 2]"
1 69 ASP 5.637 0.119 15 0 "[ . 1 . 2]"
1 70 ILE 9.077 0.119 15 0 "[ . 1 . 2]"
1 71 ASN 6.134 0.532 7 1 "[ . + 1 . 2]"
1 72 ARG 8.263 0.532 7 1 "[ . + 1 . 2]"
1 73 LEU 2.686 0.103 6 0 "[ . 1 . 2]"
1 74 CYS 3.985 0.742 9 1 "[ . +1 . 2]"
1 75 GLU 3.523 0.742 9 1 "[ . +1 . 2]"
1 76 GLU 1.989 0.502 4 1 "[ +. 1 . 2]"
1 77 MET 2.540 0.117 6 0 "[ . 1 . 2]"
1 78 LEU 2.036 0.090 4 0 "[ . 1 . 2]"
1 79 ASP 3.324 0.090 19 0 "[ . 1 . 2]"
1 80 ASN 7.236 0.321 14 0 "[ . 1 . 2]"
1 81 ARG 6.820 0.108 15 0 "[ . 1 . 2]"
1 82 ALA 3.162 0.141 2 0 "[ . 1 . 2]"
1 83 THR 6.582 0.112 7 0 "[ . 1 . 2]"
1 84 LEU 4.072 0.107 18 0 "[ . 1 . 2]"
1 85 GLN 12.776 0.569 3 2 "[ + .- 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLY HA2 1 2 HIS QB . . 5.030 4.334 3.696 4.912 . 0 0 "[ . 1 . 2]" 1
2 1 2 HIS HD2 1 3 SER HA . . 4.880 4.174 2.897 4.953 0.073 1 0 "[ . 1 . 2]" 1
3 1 3 SER HA 1 4 LYS QG . . 5.020 4.501 3.600 5.145 0.125 14 0 "[ . 1 . 2]" 1
4 1 3 SER QB 1 4 LYS H . . 5.370 2.492 1.869 3.275 . 0 0 "[ . 1 . 2]" 1
5 1 3 SER QB 1 4 LYS HA . . 4.700 4.221 3.369 4.745 0.045 14 0 "[ . 1 . 2]" 1
6 1 3 SER QB 1 4 LYS QD . . 5.500 5.020 3.895 5.626 0.126 2 0 "[ . 1 . 2]" 1
7 1 3 SER QB 1 4 LYS QG . . 5.500 3.944 2.407 5.145 . 0 0 "[ . 1 . 2]" 1
8 1 3 SER QB 1 5 MET H . . 5.500 4.681 2.717 5.612 0.112 18 0 "[ . 1 . 2]" 1
9 1 4 LYS H 1 4 LYS QD . . 5.240 4.214 2.512 5.234 . 0 0 "[ . 1 . 2]" 1
10 1 4 LYS H 1 5 MET H . . 5.500 3.673 1.799 4.575 . 0 0 "[ . 1 . 2]" 1
11 1 4 LYS HA 1 4 LYS QD . . 4.220 3.721 2.167 4.290 0.070 7 0 "[ . 1 . 2]" 1
12 1 4 LYS HA 1 4 LYS QG . . 3.520 3.233 2.090 3.558 0.038 16 0 "[ . 1 . 2]" 1
13 1 4 LYS HA 1 5 MET H . . 3.510 2.712 2.100 3.580 0.070 13 0 "[ . 1 . 2]" 1
14 1 4 LYS HA 1 5 MET HB3 . . 5.420 4.876 4.404 5.928 0.508 13 1 "[ . 1 + . 2]" 1
15 1 4 LYS HA 1 5 MET QG . . 5.310 4.209 3.534 4.873 . 0 0 "[ . 1 . 2]" 1
16 1 4 LYS QD 1 5 MET HB3 . . 5.170 4.536 3.628 5.257 0.087 18 0 "[ . 1 . 2]" 1
17 1 4 LYS QD 1 6 SER HA . . 5.500 5.062 2.176 5.613 0.113 14 0 "[ . 1 . 2]" 1
18 1 4 LYS QE 1 4 LYS QG . . 3.230 2.364 2.051 2.808 . 0 0 "[ . 1 . 2]" 1
19 1 4 LYS QE 1 5 MET ME . . 4.420 3.946 2.426 4.522 0.102 2 0 "[ . 1 . 2]" 1
20 1 4 LYS QE 1 5 MET QG . . 5.060 3.474 2.104 4.026 . 0 0 "[ . 1 . 2]" 1
21 1 5 MET H 1 5 MET QG . . 4.960 2.707 1.896 4.118 . 0 0 "[ . 1 . 2]" 1
22 1 5 MET H 1 6 SER H . . 5.500 3.860 1.825 4.706 . 0 0 "[ . 1 . 2]" 1
23 1 5 MET HA 1 5 MET ME . . 4.730 4.460 3.061 4.846 0.116 19 0 "[ . 1 . 2]" 1
24 1 5 MET HA 1 5 MET QG . . 3.870 3.242 1.945 3.432 . 0 0 "[ . 1 . 2]" 1
25 1 5 MET HA 1 6 SER HB2 . . 4.680 4.669 4.396 5.229 0.549 8 1 "[ . + 1 . 2]" 1
26 1 5 MET HA 1 8 VAL QG . . 4.290 3.857 2.916 4.331 0.041 19 0 "[ . 1 . 2]" 1
27 1 5 MET HB3 1 6 SER H . . 5.500 4.045 2.244 4.672 . 0 0 "[ . 1 . 2]" 1
28 1 5 MET ME 1 6 SER H . . 5.460 3.929 2.742 5.118 . 0 0 "[ . 1 . 2]" 1
29 1 5 MET ME 1 6 SER HA . . 5.400 4.045 3.101 5.510 0.110 11 0 "[ . 1 . 2]" 1
30 1 5 MET ME 1 7 ASP HB2 . . 3.940 3.673 2.299 4.044 0.104 15 0 "[ . 1 . 2]" 1
31 1 5 MET ME 1 8 VAL QG . . 4.780 3.793 2.150 4.723 . 0 0 "[ . 1 . 2]" 1
32 1 5 MET ME 1 9 LYS QD . . 4.470 4.069 2.916 4.592 0.122 10 0 "[ . 1 . 2]" 1
33 1 5 MET QG 1 6 SER HA . . 5.500 4.348 3.624 5.334 . 0 0 "[ . 1 . 2]" 1
34 1 5 MET QG 1 7 ASP HA . . 5.240 4.484 2.503 5.078 . 0 0 "[ . 1 . 2]" 1
35 1 6 SER HA 1 6 SER HB3 . . 2.850 2.416 2.194 2.620 . 0 0 "[ . 1 . 2]" 1
36 1 6 SER HA 1 7 ASP H . . 3.150 2.756 2.441 3.150 . 3 0 "[ . 1 . 2]" 1
37 1 6 SER HA 1 7 ASP HB2 . . 5.060 3.871 3.564 4.396 . 0 0 "[ . 1 . 2]" 1
38 1 6 SER HA 1 7 ASP HB3 . . 5.500 4.940 4.304 5.575 0.075 5 0 "[ . 1 . 2]" 1
39 1 6 SER HA 1 8 VAL QG . . 4.790 4.086 3.804 4.399 . 0 0 "[ . 1 . 2]" 1
40 1 6 SER HB2 1 7 ASP H . . 4.070 3.848 2.529 4.163 0.093 7 0 "[ . 1 . 2]" 1
41 1 6 SER HB2 1 7 ASP HB2 . . 5.500 5.457 4.999 5.586 0.086 15 0 "[ . 1 . 2]" 1
42 1 6 SER HB2 1 8 VAL H . . 5.120 4.635 3.781 5.197 0.077 3 0 "[ . 1 . 2]" 1
43 1 6 SER HB2 1 8 VAL QG . . 5.000 2.497 1.996 3.344 . 0 0 "[ . 1 . 2]" 1
44 1 6 SER HB3 1 7 ASP HB2 . . 5.180 4.936 4.334 5.541 0.361 8 0 "[ . 1 . 2]" 1
45 1 6 SER HB3 1 8 VAL QG . . 5.480 3.627 3.095 4.097 . 0 0 "[ . 1 . 2]" 1
46 1 7 ASP H 1 7 ASP HB3 . . 4.210 3.529 2.248 4.133 . 0 0 "[ . 1 . 2]" 1
47 1 7 ASP H 1 8 VAL H . . 3.600 3.096 2.578 3.694 0.094 4 0 "[ . 1 . 2]" 1
48 1 7 ASP H 1 8 VAL QG . . 4.810 3.367 2.813 3.854 . 0 0 "[ . 1 . 2]" 1
49 1 7 ASP HA 1 7 ASP HB2 . . 2.920 2.696 2.320 2.980 0.060 2 0 "[ . 1 . 2]" 1
50 1 7 ASP HA 1 8 VAL H . . 2.700 2.473 2.111 2.752 0.052 15 0 "[ . 1 . 2]" 1
51 1 7 ASP HA 1 8 VAL HA . . 4.480 4.517 4.379 4.565 0.085 15 0 "[ . 1 . 2]" 1
52 1 7 ASP HA 1 9 LYS H . . 4.880 4.380 3.905 4.892 0.012 9 0 "[ . 1 . 2]" 1
53 1 7 ASP HA 1 9 LYS QD . . 4.930 3.189 2.728 4.351 . 0 0 "[ . 1 . 2]" 1
54 1 7 ASP HA 1 9 LYS QG . . 5.500 4.536 2.926 5.305 . 0 0 "[ . 1 . 2]" 1
55 1 7 ASP HB2 1 8 VAL H . . 4.750 4.546 4.299 4.723 . 0 0 "[ . 1 . 2]" 1
56 1 7 ASP HB2 1 8 VAL QG . . 5.300 4.774 4.401 5.121 . 0 0 "[ . 1 . 2]" 1
57 1 7 ASP HB2 1 9 LYS QD . . 5.320 4.607 3.870 5.394 0.074 12 0 "[ . 1 . 2]" 1
58 1 7 ASP HB2 1 9 LYS QE . . 4.570 4.318 3.381 4.658 0.088 9 0 "[ . 1 . 2]" 1
59 1 7 ASP HB3 1 8 VAL H . . 4.500 4.391 4.184 4.500 . 16 0 "[ . 1 . 2]" 1
60 1 7 ASP HB3 1 8 VAL HA . . 5.180 4.857 4.601 5.152 . 0 0 "[ . 1 . 2]" 1
61 1 7 ASP HB3 1 8 VAL QG . . 4.950 4.560 4.038 4.893 . 0 0 "[ . 1 . 2]" 1
62 1 7 ASP HB3 1 9 LYS H . . 5.230 4.754 4.284 5.312 0.082 20 0 "[ . 1 . 2]" 1
63 1 7 ASP HB3 1 9 LYS QD . . 5.500 3.785 2.766 4.840 . 0 0 "[ . 1 . 2]" 1
64 1 7 ASP HB3 1 9 LYS QE . . 4.620 3.333 2.130 4.681 0.061 20 0 "[ . 1 . 2]" 1
65 1 8 VAL H 1 8 VAL HB . . 4.170 2.957 2.326 3.756 . 0 0 "[ . 1 . 2]" 1
66 1 8 VAL H 1 8 VAL QG . . 3.070 2.140 1.751 2.691 . 0 0 "[ . 1 . 2]" 1
67 1 8 VAL H 1 9 LYS H . . 3.790 3.679 3.252 3.870 0.080 9 0 "[ . 1 . 2]" 1
68 1 8 VAL H 1 9 LYS HA . . 5.010 4.995 4.389 5.100 0.090 19 0 "[ . 1 . 2]" 1
69 1 8 VAL H 1 9 LYS QE . . 5.500 5.128 4.219 5.589 0.089 11 0 "[ . 1 . 2]" 1
70 1 8 VAL HA 1 8 VAL QG . . 2.920 2.204 2.098 2.374 . 0 0 "[ . 1 . 2]" 1
71 1 8 VAL HA 1 9 LYS H . . 2.730 2.384 2.184 2.788 0.058 18 0 "[ . 1 . 2]" 1
72 1 8 VAL HA 1 9 LYS HA . . 4.380 4.424 4.284 4.474 0.094 18 0 "[ . 1 . 2]" 1
73 1 8 VAL HA 1 9 LYS QD . . 4.390 4.222 3.520 4.484 0.094 4 0 "[ . 1 . 2]" 1
74 1 8 VAL HA 1 9 LYS QG . . 4.450 4.193 3.587 4.430 . 0 0 "[ . 1 . 2]" 1
75 1 8 VAL HA 1 10 CYS H . . 5.320 3.486 2.956 4.905 . 0 0 "[ . 1 . 2]" 1
76 1 8 VAL HA 1 35 VAL QG . . 4.170 2.246 1.961 3.011 . 0 0 "[ . 1 . 2]" 1
77 1 8 VAL HB 1 9 LYS H . . 4.530 4.450 4.109 4.605 0.075 16 0 "[ . 1 . 2]" 1
78 1 8 VAL HB 1 9 LYS HA . . 5.260 4.968 4.329 5.291 0.031 16 0 "[ . 1 . 2]" 1
79 1 8 VAL HB 1 31 TRP HZ3 . . 5.090 4.249 2.341 5.147 0.057 7 0 "[ . 1 . 2]" 1
80 1 8 VAL HB 1 32 ALA MB . . 5.100 3.951 2.633 5.214 0.114 16 0 "[ . 1 . 2]" 1
81 1 8 VAL HB 1 35 VAL QG . . 5.330 3.611 2.102 4.512 . 0 0 "[ . 1 . 2]" 1
82 1 8 VAL QG 1 9 LYS H . . 4.330 3.659 3.431 3.813 . 0 0 "[ . 1 . 2]" 1
83 1 8 VAL QG 1 9 LYS HA . . 4.400 4.123 3.745 4.305 . 0 0 "[ . 1 . 2]" 1
84 1 8 VAL QG 1 9 LYS QB . . 5.500 4.674 4.025 5.170 . 0 0 "[ . 1 . 2]" 1
85 1 8 VAL QG 1 9 LYS QG . . 5.390 4.727 4.316 4.871 . 0 0 "[ . 1 . 2]" 1
86 1 8 VAL QG 1 10 CYS H . . 5.190 3.848 3.238 4.723 . 0 0 "[ . 1 . 2]" 1
87 1 8 VAL QG 1 31 TRP HH2 . . 4.400 3.340 2.260 4.410 0.010 9 0 "[ . 1 . 2]" 1
88 1 8 VAL QG 1 32 ALA HA . . 4.600 2.929 2.097 4.060 . 0 0 "[ . 1 . 2]" 1
89 1 8 VAL QG 1 32 ALA MB . . 3.990 2.334 1.983 3.061 . 0 0 "[ . 1 . 2]" 1
90 1 8 VAL QG 1 35 VAL QG . . 5.130 2.331 1.789 3.378 . 0 0 "[ . 1 . 2]" 1
91 1 8 VAL QG 1 36 GLN HA . . 4.510 3.082 2.449 3.767 . 0 0 "[ . 1 . 2]" 1
92 1 8 VAL QG 1 36 GLN QB . . 4.420 2.081 1.897 2.287 . 0 0 "[ . 1 . 2]" 1
93 1 8 VAL QG 1 36 GLN HE21 . . 5.500 5.333 4.940 5.480 . 0 0 "[ . 1 . 2]" 1
94 1 8 VAL QG 1 36 GLN QG . . 4.270 3.263 2.786 3.610 . 0 0 "[ . 1 . 2]" 1
95 1 8 VAL QG 1 39 ASN QD . . 4.750 3.778 3.124 4.264 . 0 0 "[ . 1 . 2]" 1
96 1 9 LYS H 1 9 LYS QB . . 3.570 2.940 2.537 3.025 . 0 0 "[ . 1 . 2]" 1
97 1 9 LYS H 1 9 LYS HB3 . . 3.090 3.221 2.594 3.777 0.687 11 4 "[ . * 1+ .- *]" 1
98 1 9 LYS H 1 9 LYS QD . . 4.580 2.518 1.889 3.041 . 0 0 "[ . 1 . 2]" 1
99 1 9 LYS H 1 9 LYS QG . . 3.820 2.146 1.653 2.759 . 0 0 "[ . 1 . 2]" 1
100 1 9 LYS H 1 10 CYS H . . 3.880 2.655 2.181 3.959 0.079 7 0 "[ . 1 . 2]" 1
101 1 9 LYS H 1 10 CYS QB . . 5.380 5.077 4.801 5.248 . 0 0 "[ . 1 . 2]" 1
102 1 9 LYS H 1 11 THR MG . . 5.500 4.325 2.985 5.569 0.069 6 0 "[ . 1 . 2]" 1
103 1 9 LYS H 1 35 VAL QG . . 5.400 3.079 2.579 3.766 . 0 0 "[ . 1 . 2]" 1
104 1 9 LYS HA 1 9 LYS QD . . 3.660 3.764 3.730 3.778 0.118 1 0 "[ . 1 . 2]" 1
105 1 9 LYS HA 1 9 LYS QG . . 3.930 3.234 2.642 3.542 . 0 0 "[ . 1 . 2]" 1
106 1 9 LYS HA 1 10 CYS H . . 3.130 2.957 2.136 3.216 0.086 20 0 "[ . 1 . 2]" 1
107 1 9 LYS HA 1 10 CYS QB . . 4.300 4.183 3.597 4.284 . 0 0 "[ . 1 . 2]" 1
108 1 9 LYS HA 1 35 VAL QG . . 5.500 4.193 3.483 4.687 . 0 0 "[ . 1 . 2]" 1
109 1 9 LYS QB 1 9 LYS QD . . 3.230 2.111 1.991 2.622 . 0 0 "[ . 1 . 2]" 1
110 1 9 LYS QB 1 9 LYS QE . . 3.560 3.529 3.345 3.652 0.092 4 0 "[ . 1 . 2]" 1
111 1 9 LYS QB 1 35 VAL QG . . 5.500 4.652 4.143 5.181 . 0 0 "[ . 1 . 2]" 1
112 1 9 LYS HB3 1 10 CYS H . . 5.030 4.488 4.325 4.647 . 0 0 "[ . 1 . 2]" 1
113 1 9 LYS QE 1 11 THR MG . . 4.790 4.241 2.179 4.925 0.135 7 0 "[ . 1 . 2]" 1
114 1 9 LYS QE 1 35 VAL QG . . 5.500 5.022 4.004 5.494 . 0 0 "[ . 1 . 2]" 1
115 1 9 LYS QG 1 10 CYS H . . 5.500 3.729 2.771 4.481 . 0 0 "[ . 1 . 2]" 1
116 1 9 LYS QG 1 11 THR MG . . 4.730 3.953 1.948 4.497 . 0 0 "[ . 1 . 2]" 1
117 1 10 CYS H 1 10 CYS QB . . 3.800 2.934 2.237 3.313 . 0 0 "[ . 1 . 2]" 1
118 1 10 CYS H 1 35 VAL QG . . 5.500 2.193 1.793 2.832 . 0 0 "[ . 1 . 2]" 1
119 1 10 CYS HA 1 11 THR MG . . 4.610 3.363 2.334 3.989 . 0 0 "[ . 1 . 2]" 1
120 1 10 CYS HA 1 35 VAL QG . . 4.370 2.096 1.888 2.552 . 0 0 "[ . 1 . 2]" 1
121 1 10 CYS QB 1 11 THR H . . 5.400 3.334 2.307 4.095 . 0 0 "[ . 1 . 2]" 1
122 1 10 CYS QB 1 15 LEU QD . . 5.500 4.651 3.542 5.212 . 0 0 "[ . 1 . 2]" 1
123 1 10 CYS QB 1 16 LEU QB . . 5.500 4.432 4.030 4.922 . 0 0 "[ . 1 . 2]" 1
124 1 10 CYS QB 1 16 LEU QD . . 4.370 2.142 1.770 2.589 . 0 0 "[ . 1 . 2]" 1
125 1 10 CYS QB 1 16 LEU HG . . 4.790 3.259 2.461 4.396 . 0 0 "[ . 1 . 2]" 1
126 1 10 CYS QB 1 31 TRP HE1 . . 5.500 4.179 3.003 5.072 . 0 0 "[ . 1 . 2]" 1
127 1 10 CYS QB 1 31 TRP HZ2 . . 4.910 3.336 2.081 4.302 . 0 0 "[ . 1 . 2]" 1
128 1 10 CYS QB 1 35 VAL QG . . 4.460 2.909 2.038 3.577 . 0 0 "[ . 1 . 2]" 1
129 1 11 THR H 1 11 THR MG . . 4.580 2.356 1.714 2.924 . 0 0 "[ . 1 . 2]" 1
130 1 11 THR H 1 12 SER H . . 4.220 3.536 2.176 4.316 0.096 11 0 "[ . 1 . 2]" 1
131 1 11 THR HA 1 11 THR MG . . 3.440 3.037 2.331 3.291 . 0 0 "[ . 1 . 2]" 1
132 1 11 THR HA 1 12 SER H . . 3.480 3.022 2.010 3.558 0.078 1 0 "[ . 1 . 2]" 1
133 1 11 THR HA 1 12 SER HA . . 5.080 4.550 4.214 4.891 . 0 0 "[ . 1 . 2]" 1
134 1 11 THR HA 1 12 SER QB . . 5.500 4.968 4.501 5.293 . 0 0 "[ . 1 . 2]" 1
135 1 11 THR HA 1 15 LEU QD . . 5.500 5.020 4.715 5.413 . 0 0 "[ . 1 . 2]" 1
136 1 11 THR HB 1 12 SER H . . 4.450 3.558 1.916 4.293 . 0 0 "[ . 1 . 2]" 1
137 1 11 THR HB 1 35 VAL QG . . 5.500 4.677 3.900 5.321 . 0 0 "[ . 1 . 2]" 1
138 1 11 THR MG 1 12 SER H . . 4.230 2.924 1.607 3.946 . 0 0 "[ . 1 . 2]" 1
139 1 11 THR MG 1 12 SER QB . . 4.890 3.614 2.539 4.820 . 0 0 "[ . 1 . 2]" 1
140 1 11 THR MG 1 15 LEU QD . . 4.620 2.831 1.862 3.578 . 0 0 "[ . 1 . 2]" 1
141 1 11 THR MG 1 16 LEU QD . . 3.840 3.862 3.544 3.937 0.097 16 0 "[ . 1 . 2]" 1
142 1 11 THR MG 1 35 VAL QG . . 4.320 2.884 1.932 3.913 . 0 0 "[ . 1 . 2]" 1
143 1 11 THR MG 1 38 HIS HE1 . . 5.500 3.468 2.242 4.735 . 0 0 "[ . 1 . 2]" 1
144 1 11 THR MG 1 39 ASN QD . . 5.500 4.031 2.892 5.269 . 0 0 "[ . 1 . 2]" 1
145 1 12 SER H 1 12 SER QB . . 3.830 2.594 2.118 3.301 . 0 0 "[ . 1 . 2]" 1
146 1 12 SER H 1 13 VAL H . . 4.480 4.275 3.655 4.567 0.087 11 0 "[ . 1 . 2]" 1
147 1 12 SER H 1 14 VAL H . . 5.460 5.321 4.841 5.550 0.090 13 0 "[ . 1 . 2]" 1
148 1 12 SER H 1 15 LEU QD . . 5.420 3.510 2.453 4.794 . 0 0 "[ . 1 . 2]" 1
149 1 12 SER HA 1 13 VAL H . . 3.380 2.263 2.150 2.524 . 0 0 "[ . 1 . 2]" 1
150 1 12 SER HA 1 13 VAL HA . . 5.150 4.427 4.302 4.579 . 0 0 "[ . 1 . 2]" 1
151 1 12 SER HA 1 13 VAL MG1 . . 4.270 4.034 3.662 4.374 0.104 15 0 "[ . 1 . 2]" 1
152 1 12 SER HA 1 13 VAL MG2 . . 3.830 3.724 3.266 3.918 0.088 2 0 "[ . 1 . 2]" 1
153 1 12 SER HA 1 14 VAL H . . 4.420 3.747 3.349 3.974 . 0 0 "[ . 1 . 2]" 1
154 1 12 SER HA 1 14 VAL HB . . 5.500 5.399 4.774 5.583 0.083 2 0 "[ . 1 . 2]" 1
155 1 12 SER HA 1 14 VAL QG . . 5.160 3.903 3.423 4.419 . 0 0 "[ . 1 . 2]" 1
156 1 12 SER HA 1 15 LEU H . . 5.410 5.162 4.816 5.485 0.075 16 0 "[ . 1 . 2]" 1
157 1 12 SER QB 1 13 VAL H . . 4.890 3.408 2.922 3.839 . 0 0 "[ . 1 . 2]" 1
158 1 12 SER QB 1 13 VAL MG2 . . 4.700 4.273 3.884 4.512 . 0 0 "[ . 1 . 2]" 1
159 1 12 SER QB 1 14 VAL H . . 5.430 2.967 2.584 3.661 . 0 0 "[ . 1 . 2]" 1
160 1 12 SER QB 1 15 LEU H . . 4.510 3.468 3.251 3.782 . 0 0 "[ . 1 . 2]" 1
161 1 12 SER QB 1 15 LEU QD . . 4.360 2.165 1.905 2.606 . 0 0 "[ . 1 . 2]" 1
162 1 12 SER QB 1 15 LEU HG . . 5.500 3.775 2.655 5.002 . 0 0 "[ . 1 . 2]" 1
163 1 12 SER QB 1 16 LEU H . . 5.260 4.921 4.513 5.081 . 0 0 "[ . 1 . 2]" 1
164 1 13 VAL H 1 13 VAL HB . . 3.570 3.626 3.571 3.649 0.079 13 0 "[ . 1 . 2]" 1
165 1 13 VAL H 1 13 VAL MG1 . . 3.540 2.485 2.101 3.438 . 0 0 "[ . 1 . 2]" 1
166 1 13 VAL H 1 13 VAL MG2 . . 3.180 2.011 1.804 2.127 . 0 0 "[ . 1 . 2]" 1
167 1 13 VAL H 1 14 VAL H . . 3.880 2.701 1.621 3.121 . 0 0 "[ . 1 . 2]" 1
168 1 13 VAL H 1 14 VAL QG . . 4.140 3.692 2.884 4.137 . 0 0 "[ . 1 . 2]" 1
169 1 13 VAL H 1 15 LEU H . . 5.270 4.648 3.761 4.906 . 0 0 "[ . 1 . 2]" 1
170 1 13 VAL HA 1 13 VAL MG1 . . 3.100 2.225 2.073 2.346 . 0 0 "[ . 1 . 2]" 1
171 1 13 VAL HA 1 13 VAL MG2 . . 3.200 3.233 3.167 3.259 0.059 20 0 "[ . 1 . 2]" 1
172 1 13 VAL HA 1 15 LEU H . . 4.950 3.793 3.486 4.030 . 0 0 "[ . 1 . 2]" 1
173 1 13 VAL HA 1 16 LEU H . . 4.210 2.991 2.722 3.387 . 0 0 "[ . 1 . 2]" 1
174 1 13 VAL HA 1 16 LEU QB . . 4.090 2.211 1.980 2.558 . 0 0 "[ . 1 . 2]" 1
175 1 13 VAL HA 1 16 LEU QD . . 3.230 2.607 2.117 3.001 . 0 0 "[ . 1 . 2]" 1
176 1 13 VAL HA 1 17 SER H . . 4.540 3.453 3.132 3.822 . 0 0 "[ . 1 . 2]" 1
177 1 13 VAL HB 1 16 LEU QB . . 4.950 3.701 3.330 3.978 . 0 0 "[ . 1 . 2]" 1
178 1 13 VAL HB 1 16 LEU QD . . 4.800 4.603 4.034 4.748 . 0 0 "[ . 1 . 2]" 1
179 1 13 VAL HB 1 17 SER H . . 4.940 3.670 3.400 4.022 . 0 0 "[ . 1 . 2]" 1
180 1 13 VAL HB 1 17 SER HA . . 5.500 4.901 4.458 5.579 0.079 15 0 "[ . 1 . 2]" 1
181 1 13 VAL MG1 1 15 LEU H . . 5.320 5.343 5.169 5.432 0.112 18 0 "[ . 1 . 2]" 1
182 1 13 VAL MG1 1 16 LEU H . . 4.840 4.659 4.312 4.929 0.089 8 0 "[ . 1 . 2]" 1
183 1 13 VAL MG1 1 16 LEU QB . . 4.130 3.152 2.706 3.669 . 0 0 "[ . 1 . 2]" 1
184 1 13 VAL MG1 1 17 SER H . . 4.760 4.400 4.003 4.660 . 0 0 "[ . 1 . 2]" 1
185 1 13 VAL MG1 1 17 SER QB . . 4.230 4.229 3.869 4.368 0.138 6 0 "[ . 1 . 2]" 1
186 1 13 VAL MG2 1 14 VAL H . . 3.550 2.647 2.483 2.812 . 0 0 "[ . 1 . 2]" 1
187 1 13 VAL MG2 1 15 LEU H . . 4.740 4.788 4.674 4.848 0.108 3 0 "[ . 1 . 2]" 1
188 1 13 VAL MG2 1 16 LEU H . . 5.150 5.166 4.995 5.254 0.104 16 0 "[ . 1 . 2]" 1
189 1 13 VAL MG2 1 17 SER H . . 5.060 4.713 4.493 5.162 0.102 15 0 "[ . 1 . 2]" 1
190 1 14 VAL H 1 14 VAL HB . . 3.550 2.604 2.230 2.926 . 0 0 "[ . 1 . 2]" 1
191 1 14 VAL H 1 14 VAL QG . . 3.180 1.960 1.722 2.344 . 0 0 "[ . 1 . 2]" 1
192 1 14 VAL H 1 15 LEU H . . 4.170 2.898 2.618 3.030 . 0 0 "[ . 1 . 2]" 1
193 1 14 VAL H 1 16 LEU H . . 5.430 4.339 4.104 4.544 . 0 0 "[ . 1 . 2]" 1
194 1 14 VAL H 1 17 SER QB . . 4.850 4.808 4.619 4.946 0.096 13 0 "[ . 1 . 2]" 1
195 1 14 VAL HA 1 14 VAL QG . . 3.190 2.202 2.120 2.336 . 0 0 "[ . 1 . 2]" 1
196 1 14 VAL HA 1 17 SER H . . 4.500 4.305 3.862 4.548 0.048 7 0 "[ . 1 . 2]" 1
197 1 14 VAL HA 1 17 SER QB . . 3.650 3.502 3.154 3.749 0.099 11 0 "[ . 1 . 2]" 1
198 1 14 VAL HB 1 15 LEU H . . 4.100 3.156 2.462 4.177 0.077 6 0 "[ . 1 . 2]" 1
199 1 14 VAL HB 1 73 LEU H . . 5.210 4.872 4.371 5.295 0.085 2 0 "[ . 1 . 2]" 1
200 1 14 VAL HB 1 73 LEU HA . . 4.420 3.805 3.222 4.503 0.083 6 0 "[ . 1 . 2]" 1
201 1 14 VAL QG 1 15 LEU H . . 4.060 3.063 2.004 3.562 . 0 0 "[ . 1 . 2]" 1
202 1 14 VAL QG 1 15 LEU QD . . 4.960 2.880 1.875 3.523 . 0 0 "[ . 1 . 2]" 1
203 1 14 VAL QG 1 16 LEU H . . 5.500 4.645 4.044 4.932 . 0 0 "[ . 1 . 2]" 1
204 1 14 VAL QG 1 72 ARG H . . 4.460 4.117 3.680 4.389 . 0 0 "[ . 1 . 2]" 1
205 1 14 VAL QG 1 72 ARG HA . . 4.060 3.871 3.666 4.022 . 0 0 "[ . 1 . 2]" 1
206 1 14 VAL QG 1 72 ARG HB2 . . 4.390 2.662 2.110 3.015 . 0 0 "[ . 1 . 2]" 1
207 1 14 VAL QG 1 72 ARG HB3 . . 4.440 2.113 1.958 2.293 . 0 0 "[ . 1 . 2]" 1
208 1 14 VAL QG 1 72 ARG HD2 . . 4.910 4.793 4.309 4.937 0.027 6 0 "[ . 1 . 2]" 1
209 1 14 VAL QG 1 72 ARG HD3 . . 4.800 4.603 3.240 4.841 0.041 14 0 "[ . 1 . 2]" 1
210 1 14 VAL QG 1 72 ARG HG3 . . 4.310 3.946 3.537 4.293 . 0 0 "[ . 1 . 2]" 1
211 1 14 VAL QG 1 73 LEU H . . 3.830 2.449 2.217 2.724 . 0 0 "[ . 1 . 2]" 1
212 1 14 VAL QG 1 73 LEU HA . . 3.890 2.274 1.972 2.614 . 0 0 "[ . 1 . 2]" 1
213 1 14 VAL QG 1 73 LEU HB2 . . 4.200 3.397 2.616 3.928 . 0 0 "[ . 1 . 2]" 1
214 1 14 VAL QG 1 73 LEU HB3 . . 4.300 2.449 1.901 3.848 . 0 0 "[ . 1 . 2]" 1
215 1 14 VAL QG 1 76 GLU H . . 5.150 4.303 3.751 4.999 . 0 0 "[ . 1 . 2]" 1
216 1 14 VAL QG 1 76 GLU HB2 . . 4.010 3.121 2.576 4.512 0.502 4 1 "[ +. 1 . 2]" 1
217 1 14 VAL QG 1 76 GLU HB3 . . 5.500 3.338 2.656 4.025 . 0 0 "[ . 1 . 2]" 1
218 1 14 VAL QG 1 76 GLU HG2 . . 5.500 3.884 2.298 4.730 . 0 0 "[ . 1 . 2]" 1
219 1 14 VAL QG 1 76 GLU HG3 . . 5.350 4.136 2.238 4.798 . 0 0 "[ . 1 . 2]" 1
220 1 15 LEU H 1 15 LEU HB2 . . 3.590 3.404 2.723 3.658 0.068 2 0 "[ . 1 . 2]" 1
221 1 15 LEU H 1 15 LEU HB3 . . 4.170 3.372 1.943 3.793 . 0 0 "[ . 1 . 2]" 1
222 1 15 LEU H 1 15 LEU QD . . 4.240 2.123 1.823 3.384 . 0 0 "[ . 1 . 2]" 1
223 1 15 LEU H 1 15 LEU HG . . 5.300 2.669 1.794 4.234 . 0 0 "[ . 1 . 2]" 1
224 1 15 LEU H 1 16 LEU H . . 4.190 2.372 2.118 2.624 . 0 0 "[ . 1 . 2]" 1
225 1 15 LEU H 1 16 LEU HA . . 5.360 5.046 4.804 5.301 . 0 0 "[ . 1 . 2]" 1
226 1 15 LEU H 1 16 LEU QB . . 5.490 4.144 3.539 4.456 . 0 0 "[ . 1 . 2]" 1
227 1 15 LEU H 1 16 LEU QD . . 5.090 3.610 3.297 3.912 . 0 0 "[ . 1 . 2]" 1
228 1 15 LEU HA 1 15 LEU QD . . 3.830 3.013 2.114 3.387 . 0 0 "[ . 1 . 2]" 1
229 1 15 LEU HA 1 18 VAL H . . 4.750 3.803 3.306 4.447 . 0 0 "[ . 1 . 2]" 1
230 1 15 LEU HA 1 18 VAL HB . . 4.960 3.814 3.340 5.043 0.083 19 0 "[ . 1 . 2]" 1
231 1 15 LEU HA 1 18 VAL QG . . 4.300 2.615 2.183 3.518 . 0 0 "[ . 1 . 2]" 1
232 1 15 LEU HA 1 73 LEU QD . . 4.300 2.061 1.945 2.326 . 0 0 "[ . 1 . 2]" 1
233 1 15 LEU HB2 1 16 LEU H . . 4.180 3.129 2.279 4.216 0.036 15 0 "[ . 1 . 2]" 1
234 1 15 LEU HB2 1 16 LEU QB . . 5.500 4.737 3.719 5.998 0.498 15 0 "[ . 1 . 2]" 1
235 1 15 LEU HB2 1 16 LEU QD . . 3.710 3.357 2.661 4.294 0.584 15 1 "[ . 1 + 2]" 1
236 1 15 LEU HB3 1 16 LEU H . . 4.430 4.004 3.465 4.444 0.014 18 0 "[ . 1 . 2]" 1
237 1 15 LEU HB3 1 73 LEU QD . . 3.940 2.485 1.916 3.667 . 0 0 "[ . 1 . 2]" 1
238 1 15 LEU QD 1 16 LEU H . . 4.960 3.257 2.834 3.567 . 0 0 "[ . 1 . 2]" 1
239 1 15 LEU QD 1 16 LEU QB . . 5.500 4.265 3.395 4.731 . 0 0 "[ . 1 . 2]" 1
240 1 15 LEU QD 1 16 LEU QD . . 4.760 2.566 2.096 3.612 . 0 0 "[ . 1 . 2]" 1
241 1 15 LEU QD 1 16 LEU HG . . 5.500 4.162 2.499 5.019 . 0 0 "[ . 1 . 2]" 1
242 1 15 LEU QD 1 19 LEU QD . . 4.740 3.832 2.565 4.124 . 0 0 "[ . 1 . 2]" 1
243 1 15 LEU QD 1 35 VAL H . . 5.500 3.923 3.159 4.737 . 0 0 "[ . 1 . 2]" 1
244 1 15 LEU QD 1 35 VAL HA . . 3.600 2.357 2.002 3.342 . 0 0 "[ . 1 . 2]" 1
245 1 15 LEU QD 1 35 VAL QG . . 4.480 2.431 2.012 3.449 . 0 0 "[ . 1 . 2]" 1
246 1 15 LEU QD 1 38 HIS H . . 4.310 3.823 3.327 4.227 . 0 0 "[ . 1 . 2]" 1
247 1 15 LEU QD 1 38 HIS HA . . 5.500 3.954 3.365 4.560 . 0 0 "[ . 1 . 2]" 1
248 1 15 LEU QD 1 38 HIS HB2 . . 5.500 2.260 1.876 2.895 . 0 0 "[ . 1 . 2]" 1
249 1 15 LEU QD 1 38 HIS HB3 . . 4.730 2.694 2.205 3.263 . 0 0 "[ . 1 . 2]" 1
250 1 15 LEU QD 1 38 HIS HD2 . . 4.890 2.353 2.016 2.759 . 0 0 "[ . 1 . 2]" 1
251 1 15 LEU QD 1 39 ASN H . . 5.500 4.600 4.140 5.037 . 0 0 "[ . 1 . 2]" 1
252 1 15 LEU QD 1 73 LEU QD . . 3.230 2.457 1.832 2.906 . 0 0 "[ . 1 . 2]" 1
253 1 15 LEU HG 1 16 LEU H . . 5.180 2.951 2.005 5.163 . 0 0 "[ . 1 . 2]" 1
254 1 15 LEU HG 1 16 LEU HG . . 4.960 4.727 3.293 5.035 0.075 1 0 "[ . 1 . 2]" 1
255 1 15 LEU HG 1 19 LEU QD . . 5.370 4.916 4.412 5.381 0.011 11 0 "[ . 1 . 2]" 1
256 1 16 LEU H 1 16 LEU QD . . 3.800 2.410 2.010 2.939 . 0 0 "[ . 1 . 2]" 1
257 1 16 LEU H 1 16 LEU HG . . 3.960 3.483 2.391 4.036 0.076 15 0 "[ . 1 . 2]" 1
258 1 16 LEU H 1 17 SER H . . 3.960 2.656 2.298 2.938 . 0 0 "[ . 1 . 2]" 1
259 1 16 LEU H 1 17 SER HA . . 5.500 5.311 4.963 5.555 0.055 16 0 "[ . 1 . 2]" 1
260 1 16 LEU H 1 17 SER QB . . 4.760 4.315 3.805 4.564 . 0 0 "[ . 1 . 2]" 1
261 1 16 LEU H 1 19 LEU QD . . 5.500 4.306 3.894 4.930 . 0 0 "[ . 1 . 2]" 1
262 1 16 LEU H 1 73 LEU QD . . 5.180 4.797 4.522 4.983 . 0 0 "[ . 1 . 2]" 1
263 1 16 LEU HA 1 16 LEU QD . . 3.190 2.091 1.956 2.515 . 0 0 "[ . 1 . 2]" 1
264 1 16 LEU HA 1 17 SER HA . . 5.500 4.855 4.727 4.961 . 0 0 "[ . 1 . 2]" 1
265 1 16 LEU HA 1 18 VAL H . . 4.400 4.257 4.007 4.469 0.069 18 0 "[ . 1 . 2]" 1
266 1 16 LEU HA 1 19 LEU H . . 4.270 3.429 3.158 3.702 . 0 0 "[ . 1 . 2]" 1
267 1 16 LEU HA 1 19 LEU QD . . 4.740 2.484 2.176 2.968 . 0 0 "[ . 1 . 2]" 1
268 1 16 LEU HA 1 19 LEU HG . . 5.500 4.155 2.393 5.072 . 0 0 "[ . 1 . 2]" 1
269 1 16 LEU QB 1 17 SER H . . 3.730 2.560 2.400 2.799 . 0 0 "[ . 1 . 2]" 1
270 1 16 LEU QB 1 17 SER HA . . 4.950 3.881 3.700 4.050 . 0 0 "[ . 1 . 2]" 1
271 1 16 LEU QB 1 17 SER QB . . 4.790 3.890 3.676 4.076 . 0 0 "[ . 1 . 2]" 1
272 1 16 LEU QB 1 18 VAL H . . 5.500 4.691 4.544 4.825 . 0 0 "[ . 1 . 2]" 1
273 1 16 LEU QB 1 19 LEU H . . 5.500 4.630 4.418 4.782 . 0 0 "[ . 1 . 2]" 1
274 1 16 LEU QB 1 20 GLN HE21 . . 5.400 2.517 2.218 2.745 . 0 0 "[ . 1 . 2]" 1
275 1 16 LEU QB 1 20 GLN HE22 . . 5.350 2.778 2.372 3.083 . 0 0 "[ . 1 . 2]" 1
276 1 16 LEU QD 1 17 SER H . . 4.270 3.890 3.737 3.989 . 0 0 "[ . 1 . 2]" 1
277 1 16 LEU QD 1 19 LEU H . . 4.800 4.586 4.206 4.765 . 0 0 "[ . 1 . 2]" 1
278 1 16 LEU QD 1 19 LEU QD . . 4.080 2.800 2.159 3.417 . 0 0 "[ . 1 . 2]" 1
279 1 16 LEU QD 1 20 GLN HE21 . . 5.280 3.778 3.308 4.308 . 0 0 "[ . 1 . 2]" 1
280 1 16 LEU QD 1 20 GLN QG . . 5.430 4.379 3.232 5.077 . 0 0 "[ . 1 . 2]" 1
281 1 16 LEU QD 1 31 TRP HD1 . . 4.680 3.195 2.710 3.769 . 0 0 "[ . 1 . 2]" 1
282 1 16 LEU QD 1 31 TRP HE1 . . 3.910 2.270 1.786 2.687 . 0 0 "[ . 1 . 2]" 1
283 1 16 LEU QD 1 35 VAL HA . . 5.500 4.125 3.559 5.117 . 0 0 "[ . 1 . 2]" 1
284 1 16 LEU QD 1 35 VAL QG . . 4.160 2.285 1.802 3.291 . 0 0 "[ . 1 . 2]" 1
285 1 16 LEU HG 1 19 LEU QD . . 5.500 4.564 3.232 5.412 . 0 0 "[ . 1 . 2]" 1
286 1 17 SER H 1 17 SER QB . . 3.250 2.141 1.963 2.336 . 0 0 "[ . 1 . 2]" 1
287 1 17 SER H 1 18 VAL H . . 3.770 2.820 2.623 3.002 . 0 0 "[ . 1 . 2]" 1
288 1 17 SER H 1 18 VAL QG . . 3.980 3.841 3.460 3.996 0.016 9 0 "[ . 1 . 2]" 1
289 1 17 SER H 1 20 GLN QG . . 5.500 4.559 4.113 5.163 . 0 0 "[ . 1 . 2]" 1
290 1 17 SER HA 1 18 VAL QG . . 5.360 4.703 4.453 4.821 . 0 0 "[ . 1 . 2]" 1
291 1 17 SER HA 1 19 LEU H . . 5.260 3.943 3.514 4.287 . 0 0 "[ . 1 . 2]" 1
292 1 17 SER HA 1 20 GLN H . . 4.030 3.496 3.130 3.835 . 0 0 "[ . 1 . 2]" 1
293 1 17 SER HA 1 20 GLN QB . . 4.150 3.313 2.117 4.030 . 0 0 "[ . 1 . 2]" 1
294 1 17 SER HA 1 20 GLN HE21 . . 4.800 2.575 2.026 3.433 . 0 0 "[ . 1 . 2]" 1
295 1 17 SER HA 1 20 GLN HE22 . . 5.190 3.562 2.911 4.460 . 0 0 "[ . 1 . 2]" 1
296 1 17 SER HA 1 20 GLN QG . . 4.880 2.712 1.938 3.808 . 0 0 "[ . 1 . 2]" 1
297 1 17 SER HA 1 21 GLN H . . 5.410 3.929 3.355 4.413 . 0 0 "[ . 1 . 2]" 1
298 1 17 SER HA 1 21 GLN QE . . 5.440 5.379 4.795 5.539 0.099 16 0 "[ . 1 . 2]" 1
299 1 17 SER QB 1 18 VAL H . . 3.610 2.833 2.334 3.469 . 0 0 "[ . 1 . 2]" 1
300 1 17 SER QB 1 18 VAL QG . . 4.150 3.336 2.728 3.961 . 0 0 "[ . 1 . 2]" 1
301 1 17 SER QB 1 20 GLN HE21 . . 5.500 4.155 3.632 5.173 . 0 0 "[ . 1 . 2]" 1
302 1 17 SER QB 1 20 GLN HE22 . . 5.500 4.550 4.064 5.281 . 0 0 "[ . 1 . 2]" 1
303 1 17 SER QB 1 21 GLN QE . . 4.590 4.353 3.330 4.694 0.104 4 0 "[ . 1 . 2]" 1
304 1 17 SER QB 1 69 ASP HB2 . . 4.820 4.647 3.869 4.890 0.070 17 0 "[ . 1 . 2]" 1
305 1 17 SER QB 1 69 ASP HB3 . . 5.260 4.866 4.162 5.358 0.098 19 0 "[ . 1 . 2]" 1
306 1 18 VAL H 1 18 VAL HB . . 3.870 2.710 2.391 3.582 . 0 0 "[ . 1 . 2]" 1
307 1 18 VAL H 1 18 VAL QG . . 3.610 1.900 1.748 2.045 . 0 0 "[ . 1 . 2]" 1
308 1 18 VAL H 1 19 LEU H . . 4.530 2.761 2.606 2.936 . 0 0 "[ . 1 . 2]" 1
309 1 18 VAL H 1 67 ALA MB . . 5.500 5.485 5.074 5.597 0.097 2 0 "[ . 1 . 2]" 1
310 1 18 VAL HA 1 19 LEU HA . . 5.010 4.636 4.476 4.736 . 0 0 "[ . 1 . 2]" 1
311 1 18 VAL HA 1 19 LEU QD . . 5.150 4.253 3.797 4.703 . 0 0 "[ . 1 . 2]" 1
312 1 18 VAL HA 1 21 GLN H . . 4.600 3.764 3.422 4.057 . 0 0 "[ . 1 . 2]" 1
313 1 18 VAL HA 1 21 GLN HB2 . . 5.130 3.376 2.485 5.283 0.153 13 0 "[ . 1 . 2]" 1
314 1 18 VAL HA 1 21 GLN HB3 . . 5.220 3.648 2.447 4.602 . 0 0 "[ . 1 . 2]" 1
315 1 18 VAL HA 1 21 GLN QE . . 5.310 3.175 2.157 3.844 . 0 0 "[ . 1 . 2]" 1
316 1 18 VAL HA 1 21 GLN HG2 . . 5.440 4.547 2.479 5.555 0.115 6 0 "[ . 1 . 2]" 1
317 1 18 VAL HA 1 21 GLN HG3 . . 5.500 4.422 3.091 5.558 0.058 10 0 "[ . 1 . 2]" 1
318 1 18 VAL HA 1 22 LEU H . . 5.500 5.506 5.212 5.590 0.090 6 0 "[ . 1 . 2]" 1
319 1 18 VAL HA 1 67 ALA MB . . 4.980 3.419 2.892 3.710 . 0 0 "[ . 1 . 2]" 1
320 1 18 VAL HA 1 68 VAL QG . . 4.810 4.526 3.349 4.792 . 0 0 "[ . 1 . 2]" 1
321 1 18 VAL HB 1 19 LEU H . . 4.270 3.117 2.697 4.164 . 0 0 "[ . 1 . 2]" 1
322 1 18 VAL HB 1 19 LEU QD . . 3.860 2.596 2.196 3.420 . 0 0 "[ . 1 . 2]" 1
323 1 18 VAL HB 1 19 LEU HG . . 5.500 4.699 2.702 5.586 0.086 9 0 "[ . 1 . 2]" 1
324 1 18 VAL QG 1 19 LEU H . . 4.310 3.453 2.910 3.744 . 0 0 "[ . 1 . 2]" 1
325 1 18 VAL QG 1 19 LEU HA . . 5.150 3.829 3.566 4.234 . 0 0 "[ . 1 . 2]" 1
326 1 18 VAL QG 1 19 LEU QD . . 3.240 2.704 2.262 3.217 . 0 0 "[ . 1 . 2]" 1
327 1 18 VAL QG 1 19 LEU HG . . 5.500 4.617 2.403 5.294 . 0 0 "[ . 1 . 2]" 1
328 1 18 VAL QG 1 21 GLN H . . 5.380 4.674 4.391 4.883 . 0 0 "[ . 1 . 2]" 1
329 1 18 VAL QG 1 21 GLN QE . . 5.500 3.441 2.432 3.985 . 0 0 "[ . 1 . 2]" 1
330 1 18 VAL QG 1 67 ALA MB . . 3.860 2.005 1.874 2.977 . 0 0 "[ . 1 . 2]" 1
331 1 18 VAL QG 1 68 VAL QG . . 4.380 3.685 2.343 3.968 . 0 0 "[ . 1 . 2]" 1
332 1 18 VAL QG 1 69 ASP H . . 4.530 2.750 2.231 3.148 . 0 0 "[ . 1 . 2]" 1
333 1 18 VAL QG 1 69 ASP HA . . 4.560 3.723 3.485 4.142 . 0 0 "[ . 1 . 2]" 1
334 1 18 VAL QG 1 69 ASP HB2 . . 4.230 2.164 1.942 2.580 . 0 0 "[ . 1 . 2]" 1
335 1 18 VAL QG 1 69 ASP HB3 . . 4.560 2.583 2.180 3.512 . 0 0 "[ . 1 . 2]" 1
336 1 18 VAL QG 1 70 ILE H . . 4.850 2.998 2.369 3.403 . 0 0 "[ . 1 . 2]" 1
337 1 18 VAL QG 1 70 ILE HA . . 3.760 2.188 1.978 2.572 . 0 0 "[ . 1 . 2]" 1
338 1 18 VAL QG 1 70 ILE HB . . 5.250 2.713 2.224 3.616 . 0 0 "[ . 1 . 2]" 1
339 1 18 VAL QG 1 70 ILE MD . . 2.940 2.043 1.869 2.374 . 0 0 "[ . 1 . 2]" 1
340 1 18 VAL QG 1 70 ILE MG . . 4.540 3.772 3.474 4.132 . 0 0 "[ . 1 . 2]" 1
341 1 19 LEU H 1 19 LEU QD . . 4.320 2.602 2.049 3.206 . 0 0 "[ . 1 . 2]" 1
342 1 19 LEU H 1 19 LEU HG . . 4.270 3.605 2.188 4.340 0.070 8 0 "[ . 1 . 2]" 1
343 1 19 LEU H 1 20 GLN H . . 3.330 2.293 1.987 2.593 . 0 0 "[ . 1 . 2]" 1
344 1 19 LEU H 1 20 GLN QB . . 5.340 4.309 3.891 4.682 . 0 0 "[ . 1 . 2]" 1
345 1 19 LEU H 1 20 GLN QG . . 4.920 3.750 3.263 3.977 . 0 0 "[ . 1 . 2]" 1
346 1 19 LEU H 1 21 GLN H . . 5.460 3.599 3.264 3.822 . 0 0 "[ . 1 . 2]" 1
347 1 19 LEU HA 1 19 LEU QD . . 3.820 2.139 2.023 2.346 . 0 0 "[ . 1 . 2]" 1
348 1 19 LEU HA 1 21 GLN H . . 5.500 4.065 3.851 4.239 . 0 0 "[ . 1 . 2]" 1
349 1 19 LEU HA 1 22 LEU H . . 4.590 3.920 3.563 4.202 . 0 0 "[ . 1 . 2]" 1
350 1 19 LEU HA 1 22 LEU QD . . 4.480 2.934 2.421 3.417 . 0 0 "[ . 1 . 2]" 1
351 1 19 LEU HA 1 23 ARG H . . 5.500 4.730 4.390 4.966 . 0 0 "[ . 1 . 2]" 1
352 1 19 LEU HA 1 24 VAL HB . . 4.970 3.391 3.041 3.849 . 0 0 "[ . 1 . 2]" 1
353 1 19 LEU HA 1 24 VAL QG . . 3.750 3.237 2.162 3.597 . 0 0 "[ . 1 . 2]" 1
354 1 19 LEU HB2 1 20 GLN HA . . 5.460 4.391 4.092 4.686 . 0 0 "[ . 1 . 2]" 1
355 1 19 LEU HB2 1 20 GLN QB . . 5.500 4.173 3.572 4.638 . 0 0 "[ . 1 . 2]" 1
356 1 19 LEU HB2 1 21 GLN H . . 4.980 4.880 4.711 5.052 0.072 16 0 "[ . 1 . 2]" 1
357 1 19 LEU HB2 1 24 VAL QG . . 4.060 2.603 2.131 3.431 . 0 0 "[ . 1 . 2]" 1
358 1 19 LEU HB2 1 31 TRP HD1 . . 4.640 3.934 3.239 4.527 . 0 0 "[ . 1 . 2]" 1
359 1 19 LEU HB3 1 20 GLN H . . 4.960 3.577 3.320 3.849 . 0 0 "[ . 1 . 2]" 1
360 1 19 LEU HB3 1 24 VAL H . . 5.100 4.230 3.829 4.661 . 0 0 "[ . 1 . 2]" 1
361 1 19 LEU HB3 1 24 VAL HB . . 5.500 2.200 2.103 2.392 . 0 0 "[ . 1 . 2]" 1
362 1 19 LEU HB3 1 24 VAL QG . . 5.500 2.009 1.838 2.273 . 0 0 "[ . 1 . 2]" 1
363 1 19 LEU HB3 1 30 LEU QD . . 4.440 3.855 3.212 4.485 0.045 8 0 "[ . 1 . 2]" 1
364 1 19 LEU HB3 1 31 TRP HD1 . . 4.920 4.147 3.103 4.935 0.015 19 0 "[ . 1 . 2]" 1
365 1 19 LEU QD 1 20 GLN H . . 5.370 3.790 3.459 4.022 . 0 0 "[ . 1 . 2]" 1
366 1 19 LEU QD 1 22 LEU QD . . 3.700 3.633 3.365 3.717 0.017 14 0 "[ . 1 . 2]" 1
367 1 19 LEU QD 1 24 VAL HA . . 5.500 5.018 4.303 5.328 . 0 0 "[ . 1 . 2]" 1
368 1 19 LEU QD 1 24 VAL QG . . 4.160 2.592 1.842 3.076 . 0 0 "[ . 1 . 2]" 1
369 1 19 LEU QD 1 30 LEU QD . . 4.290 2.660 2.148 3.014 . 0 0 "[ . 1 . 2]" 1
370 1 19 LEU QD 1 30 LEU HG . . 5.500 4.928 4.301 5.408 . 0 0 "[ . 1 . 2]" 1
371 1 19 LEU QD 1 31 TRP HA . . 4.900 2.983 2.121 3.949 . 0 0 "[ . 1 . 2]" 1
372 1 19 LEU QD 1 31 TRP HD1 . . 4.660 3.306 2.212 4.383 . 0 0 "[ . 1 . 2]" 1
373 1 19 LEU QD 1 31 TRP HE1 . . 4.990 4.542 3.699 4.998 0.008 5 0 "[ . 1 . 2]" 1
374 1 19 LEU QD 1 34 CYS H . . 5.500 3.869 3.422 4.252 . 0 0 "[ . 1 . 2]" 1
375 1 19 LEU QD 1 34 CYS HA . . 5.500 4.290 4.092 4.679 . 0 0 "[ . 1 . 2]" 1
376 1 19 LEU QD 1 34 CYS HB2 . . 5.250 2.343 2.081 2.761 . 0 0 "[ . 1 . 2]" 1
377 1 19 LEU QD 1 34 CYS HB3 . . 5.010 2.391 1.995 2.913 . 0 0 "[ . 1 . 2]" 1
378 1 19 LEU QD 1 57 LEU QD . . 5.500 4.099 3.783 4.584 . 0 0 "[ . 1 . 2]" 1
379 1 19 LEU QD 1 61 LEU QD . . 5.490 2.261 1.888 3.418 . 0 0 "[ . 1 . 2]" 1
380 1 19 LEU QD 1 64 MET ME . . 3.840 3.583 2.710 3.859 0.019 2 0 "[ . 1 . 2]" 1
381 1 19 LEU QD 1 65 GLN QE . . 5.500 2.114 1.725 2.438 . 0 0 "[ . 1 . 2]" 1
382 1 19 LEU QD 1 67 ALA MB . . 4.870 3.739 3.031 4.184 . 0 0 "[ . 1 . 2]" 1
383 1 19 LEU QD 1 73 LEU QD . . 5.500 3.843 3.409 4.130 . 0 0 "[ . 1 . 2]" 1
384 1 19 LEU HG 1 20 GLN H . . 5.220 4.715 3.801 5.260 0.040 16 0 "[ . 1 . 2]" 1
385 1 19 LEU HG 1 24 VAL HB . . 5.070 4.275 3.420 5.160 0.090 13 0 "[ . 1 . 2]" 1
386 1 20 GLN H 1 20 GLN QB . . 3.440 2.365 2.239 2.440 . 0 0 "[ . 1 . 2]" 1
387 1 20 GLN H 1 20 GLN HE21 . . 5.500 3.319 2.762 3.922 . 0 0 "[ . 1 . 2]" 1
388 1 20 GLN H 1 20 GLN QG . . 3.760 2.221 2.023 2.481 . 0 0 "[ . 1 . 2]" 1
389 1 20 GLN H 1 21 GLN H . . 3.990 2.701 2.612 2.903 . 0 0 "[ . 1 . 2]" 1
390 1 20 GLN H 1 22 LEU H . . 5.500 4.263 4.017 4.398 . 0 0 "[ . 1 . 2]" 1
391 1 20 GLN H 1 22 LEU QD . . 5.500 4.659 4.098 5.266 . 0 0 "[ . 1 . 2]" 1
392 1 20 GLN HA 1 20 GLN QG . . 3.710 2.972 2.312 3.381 . 0 0 "[ . 1 . 2]" 1
393 1 20 GLN HA 1 22 LEU H . . 5.030 3.483 3.111 3.875 . 0 0 "[ . 1 . 2]" 1
394 1 20 GLN HA 1 23 ARG HA . . 4.530 4.360 3.344 4.623 0.093 17 0 "[ . 1 . 2]" 1
395 1 20 GLN HA 1 24 VAL H . . 4.150 3.480 3.044 4.239 0.089 4 0 "[ . 1 . 2]" 1
396 1 20 GLN HA 1 24 VAL QG . . 5.500 2.681 2.028 4.531 . 0 0 "[ . 1 . 2]" 1
397 1 20 GLN QB 1 21 GLN H . . 4.280 3.464 2.795 3.841 . 0 0 "[ . 1 . 2]" 1
398 1 20 GLN HE21 1 21 GLN H . . 5.500 5.051 4.654 5.538 0.038 9 0 "[ . 1 . 2]" 1
399 1 20 GLN QG 1 21 GLN H . . 4.660 3.307 2.394 4.391 . 0 0 "[ . 1 . 2]" 1
400 1 21 GLN H 1 21 GLN HB2 . . 3.950 2.510 2.068 3.697 . 0 0 "[ . 1 . 2]" 1
401 1 21 GLN H 1 21 GLN HB3 . . 3.860 2.798 2.114 3.514 . 0 0 "[ . 1 . 2]" 1
402 1 21 GLN H 1 21 GLN QE . . 5.340 4.495 4.096 5.104 . 0 0 "[ . 1 . 2]" 1
403 1 21 GLN H 1 21 GLN HG2 . . 4.190 3.965 2.375 4.567 0.377 15 0 "[ . 1 . 2]" 1
404 1 21 GLN H 1 21 GLN HG3 . . 4.900 3.804 2.913 4.512 . 0 0 "[ . 1 . 2]" 1
405 1 21 GLN H 1 22 LEU H . . 4.330 2.729 2.555 2.877 . 0 0 "[ . 1 . 2]" 1
406 1 21 GLN H 1 22 LEU HA . . 5.360 5.322 5.173 5.425 0.065 8 0 "[ . 1 . 2]" 1
407 1 21 GLN H 1 22 LEU QD . . 4.970 3.334 3.035 4.529 . 0 0 "[ . 1 . 2]" 1
408 1 21 GLN H 1 67 ALA MB . . 5.500 5.282 4.829 5.576 0.076 17 0 "[ . 1 . 2]" 1
409 1 21 GLN HA 1 21 GLN QE . . 4.400 4.354 4.072 4.499 0.099 15 0 "[ . 1 . 2]" 1
410 1 21 GLN HA 1 21 GLN HG2 . . 4.230 2.988 2.112 3.892 . 0 0 "[ . 1 . 2]" 1
411 1 21 GLN HA 1 22 LEU QD . . 4.620 3.849 3.631 4.569 . 0 0 "[ . 1 . 2]" 1
412 1 21 GLN HB2 1 22 LEU H . . 5.400 3.861 2.915 4.422 . 0 0 "[ . 1 . 2]" 1
413 1 21 GLN HB2 1 22 LEU QD . . 5.500 3.097 2.146 4.958 . 0 0 "[ . 1 . 2]" 1
414 1 21 GLN HB2 1 67 ALA MB . . 5.500 4.635 3.461 5.586 0.086 13 0 "[ . 1 . 2]" 1
415 1 21 GLN HB2 1 68 VAL QG . . 5.500 4.656 4.036 5.006 . 0 0 "[ . 1 . 2]" 1
416 1 21 GLN HB3 1 22 LEU H . . 5.480 3.465 2.911 4.407 . 0 0 "[ . 1 . 2]" 1
417 1 21 GLN HB3 1 67 ALA MB . . 5.500 4.259 3.559 5.567 0.067 13 0 "[ . 1 . 2]" 1
418 1 21 GLN HB3 1 68 VAL QG . . 4.900 4.485 3.624 5.206 0.306 2 0 "[ . 1 . 2]" 1
419 1 21 GLN QE 1 68 VAL H . . 5.310 3.451 3.143 3.695 . 0 0 "[ . 1 . 2]" 1
420 1 21 GLN QE 1 68 VAL HA . . 5.500 5.444 5.216 5.596 0.096 2 0 "[ . 1 . 2]" 1
421 1 21 GLN QE 1 68 VAL HB . . 4.360 4.364 3.977 4.463 0.103 4 0 "[ . 1 . 2]" 1
422 1 21 GLN QE 1 68 VAL QG . . 3.440 2.034 1.708 2.311 . 0 0 "[ . 1 . 2]" 1
423 1 21 GLN QE 1 69 ASP H . . 5.020 2.804 2.377 3.480 . 0 0 "[ . 1 . 2]" 1
424 1 21 GLN QE 1 69 ASP HA . . 5.230 4.660 4.228 5.336 0.106 19 0 "[ . 1 . 2]" 1
425 1 21 GLN QE 1 69 ASP HB2 . . 4.970 2.775 2.203 3.507 . 0 0 "[ . 1 . 2]" 1
426 1 21 GLN QE 1 69 ASP HB3 . . 4.960 4.122 3.485 4.990 0.030 13 0 "[ . 1 . 2]" 1
427 1 21 GLN HG2 1 22 LEU HA . . 5.500 4.914 3.662 5.610 0.110 15 0 "[ . 1 . 2]" 1
428 1 21 GLN HG2 1 68 VAL QG . . 5.150 4.075 3.254 4.914 . 0 0 "[ . 1 . 2]" 1
429 1 21 GLN HG3 1 22 LEU H . . 5.500 4.822 3.285 5.234 . 0 0 "[ . 1 . 2]" 1
430 1 21 GLN HG3 1 68 VAL H . . 5.500 5.344 3.969 6.442 0.942 15 2 "[ .- 1 + 2]" 1
431 1 21 GLN HG3 1 68 VAL QG . . 5.050 4.244 3.224 5.129 0.079 15 0 "[ . 1 . 2]" 1
432 1 22 LEU H 1 22 LEU HB2 . . 3.620 2.696 2.465 3.688 0.068 12 0 "[ . 1 . 2]" 1
433 1 22 LEU H 1 22 LEU QD . . 3.630 2.318 2.046 3.191 . 0 0 "[ . 1 . 2]" 1
434 1 22 LEU H 1 22 LEU HG . . 5.150 4.088 2.397 4.467 . 0 0 "[ . 1 . 2]" 1
435 1 22 LEU H 1 23 ARG H . . 3.970 2.805 2.053 3.069 . 0 0 "[ . 1 . 2]" 1
436 1 22 LEU H 1 23 ARG HA . . 4.790 4.627 4.305 4.858 0.068 5 0 "[ . 1 . 2]" 1
437 1 22 LEU H 1 23 ARG HD2 . . 5.500 5.099 3.749 6.216 0.716 10 2 "[ - + . 2]" 1
438 1 22 LEU H 1 24 VAL H . . 5.040 3.826 3.606 4.417 . 0 0 "[ . 1 . 2]" 1
439 1 22 LEU H 1 24 VAL QG . . 4.410 4.030 3.532 4.262 . 0 0 "[ . 1 . 2]" 1
440 1 22 LEU HA 1 22 LEU QD . . 3.290 2.195 2.064 2.987 . 0 0 "[ . 1 . 2]" 1
441 1 22 LEU HA 1 23 ARG HA . . 5.190 4.857 4.726 4.971 . 0 0 "[ . 1 . 2]" 1
442 1 22 LEU HA 1 23 ARG HD2 . . 5.100 3.930 2.187 5.177 0.077 2 0 "[ . 1 . 2]" 1
443 1 22 LEU HA 1 24 VAL H . . 5.360 5.281 4.891 5.430 0.070 19 0 "[ . 1 . 2]" 1
444 1 22 LEU HA 1 65 GLN QE . . 5.220 4.978 4.353 5.168 . 0 0 "[ . 1 . 2]" 1
445 1 22 LEU HB2 1 65 GLN HB2 . . 5.500 2.931 2.436 4.252 . 0 0 "[ . 1 . 2]" 1
446 1 22 LEU QD 1 23 ARG H . . 4.800 3.500 2.157 3.784 . 0 0 "[ . 1 . 2]" 1
447 1 22 LEU QD 1 24 VAL H . . 4.860 4.429 2.052 4.726 . 0 0 "[ . 1 . 2]" 1
448 1 22 LEU QD 1 65 GLN HA . . 4.510 3.954 3.037 4.290 . 0 0 "[ . 1 . 2]" 1
449 1 22 LEU QD 1 65 GLN HB2 . . 4.800 2.883 1.800 3.080 . 0 0 "[ . 1 . 2]" 1
450 1 22 LEU QD 1 65 GLN HB3 . . 4.640 3.893 2.356 4.248 . 0 0 "[ . 1 . 2]" 1
451 1 22 LEU QD 1 65 GLN QE . . 4.520 1.920 1.666 2.499 . 0 0 "[ . 1 . 2]" 1
452 1 22 LEU QD 1 65 GLN HG3 . . 4.030 2.353 2.026 3.756 . 0 0 "[ . 1 . 2]" 1
453 1 22 LEU QD 1 66 GLY H . . 5.500 4.391 3.480 4.794 . 0 0 "[ . 1 . 2]" 1
454 1 22 LEU QD 1 66 GLY HA2 . . 5.500 4.560 4.260 4.919 . 0 0 "[ . 1 . 2]" 1
455 1 22 LEU QD 1 66 GLY HA3 . . 5.500 3.996 3.465 4.493 . 0 0 "[ . 1 . 2]" 1
456 1 22 LEU QD 1 67 ALA H . . 4.550 3.454 2.848 3.825 . 0 0 "[ . 1 . 2]" 1
457 1 22 LEU QD 1 67 ALA HA . . 5.290 2.222 2.009 2.941 . 0 0 "[ . 1 . 2]" 1
458 1 22 LEU QD 1 67 ALA MB . . 3.440 2.003 1.921 2.127 . 0 0 "[ . 1 . 2]" 1
459 1 22 LEU HG 1 23 ARG H . . 5.500 4.468 3.000 5.583 0.083 16 0 "[ . 1 . 2]" 1
460 1 22 LEU HG 1 65 GLN HA . . 5.500 3.966 3.299 5.598 0.098 17 0 "[ . 1 . 2]" 1
461 1 22 LEU HG 1 67 ALA MB . . 5.310 3.510 2.993 3.985 . 0 0 "[ . 1 . 2]" 1
462 1 23 ARG H 1 23 ARG HB2 . . 4.080 4.073 3.926 4.164 0.084 4 0 "[ . 1 . 2]" 1
463 1 23 ARG H 1 23 ARG HB3 . . 4.150 3.640 3.329 4.112 . 0 0 "[ . 1 . 2]" 1
464 1 23 ARG H 1 23 ARG HD2 . . 4.160 2.965 2.377 3.795 . 0 0 "[ . 1 . 2]" 1
465 1 23 ARG H 1 23 ARG HD3 . . 4.220 3.069 2.138 4.290 0.070 20 0 "[ . 1 . 2]" 1
466 1 23 ARG H 1 23 ARG QG . . 3.680 3.531 2.876 3.773 0.093 1 0 "[ . 1 . 2]" 1
467 1 23 ARG H 1 24 VAL H . . 3.680 2.020 1.557 2.441 . 0 0 "[ . 1 . 2]" 1
468 1 23 ARG H 1 24 VAL QG . . 4.890 3.386 2.796 3.767 . 0 0 "[ . 1 . 2]" 1
469 1 23 ARG H 1 64 MET ME . . 4.800 4.507 4.004 4.921 0.121 16 0 "[ . 1 . 2]" 1
470 1 23 ARG HA 1 23 ARG HD2 . . 4.000 4.036 3.637 4.805 0.805 10 2 "[ - + . 2]" 1
471 1 23 ARG HA 1 23 ARG HD3 . . 4.700 4.150 3.578 4.746 0.046 17 0 "[ . 1 . 2]" 1
472 1 23 ARG HA 1 23 ARG QG . . 3.620 3.471 2.598 3.631 0.011 18 0 "[ . 1 . 2]" 1
473 1 23 ARG HA 1 24 VAL H . . 3.500 2.887 2.485 3.396 . 0 0 "[ . 1 . 2]" 1
474 1 23 ARG HA 1 24 VAL QG . . 5.190 4.017 3.040 4.597 . 0 0 "[ . 1 . 2]" 1
475 1 23 ARG HB2 1 23 ARG HD2 . . 3.520 3.507 3.048 3.906 0.386 19 0 "[ . 1 . 2]" 1
476 1 23 ARG HB2 1 23 ARG HD3 . . 3.550 3.399 2.054 4.102 0.552 15 2 "[ . 1 + - 2]" 1
477 1 23 ARG HB3 1 23 ARG HD2 . . 3.530 2.970 2.374 4.068 0.538 10 2 "[ - + . 2]" 1
478 1 23 ARG HB3 1 24 VAL H . . 5.500 4.569 4.044 4.788 . 0 0 "[ . 1 . 2]" 1
479 1 23 ARG HD2 1 24 VAL H . . 5.070 4.407 3.582 5.229 0.159 7 0 "[ . 1 . 2]" 1
480 1 23 ARG HD2 1 24 VAL QG . . 5.500 5.299 4.603 6.170 0.670 7 1 "[ . + 1 . 2]" 1
481 1 23 ARG HD3 1 24 VAL H . . 5.180 3.979 2.431 4.996 . 0 0 "[ . 1 . 2]" 1
482 1 23 ARG HD3 1 64 MET ME . . 5.370 3.938 2.431 5.502 0.132 16 0 "[ . 1 . 2]" 1
483 1 23 ARG QG 1 24 VAL H . . 4.450 4.309 2.649 4.561 0.111 13 0 "[ . 1 . 2]" 1
484 1 24 VAL H 1 24 VAL HB . . 3.480 2.450 2.228 2.699 . 0 0 "[ . 1 . 2]" 1
485 1 24 VAL H 1 24 VAL QG . . 3.370 2.144 1.825 2.656 . 0 0 "[ . 1 . 2]" 1
486 1 24 VAL H 1 25 GLU H . . 4.560 4.593 4.252 4.637 0.077 13 0 "[ . 1 . 2]" 1
487 1 24 VAL H 1 65 GLN QE . . 5.500 4.223 3.818 4.517 . 0 0 "[ . 1 . 2]" 1
488 1 24 VAL HA 1 25 GLU H . . 3.080 2.228 2.046 2.656 . 0 0 "[ . 1 . 2]" 1
489 1 24 VAL HA 1 25 GLU HA . . 4.540 4.427 4.276 4.607 0.067 12 0 "[ . 1 . 2]" 1
490 1 24 VAL HA 1 25 GLU HG2 . . 5.030 4.563 4.138 4.824 . 0 0 "[ . 1 . 2]" 1
491 1 24 VAL HA 1 25 GLU HG3 . . 4.430 3.529 2.906 4.053 . 0 0 "[ . 1 . 2]" 1
492 1 24 VAL HB 1 25 GLU H . . 5.240 3.979 3.574 4.258 . 0 0 "[ . 1 . 2]" 1
493 1 24 VAL HB 1 31 TRP HD1 . . 5.500 5.012 4.041 5.587 0.087 5 0 "[ . 1 . 2]" 1
494 1 24 VAL QG 1 25 GLU H . . 3.980 2.210 1.701 2.545 . 0 0 "[ . 1 . 2]" 1
495 1 24 VAL QG 1 25 GLU HA . . 4.690 3.615 3.373 3.897 . 0 0 "[ . 1 . 2]" 1
496 1 24 VAL QG 1 25 GLU HB2 . . 5.100 3.830 3.353 4.143 . 0 0 "[ . 1 . 2]" 1
497 1 24 VAL QG 1 25 GLU HB3 . . 5.310 4.668 4.325 4.845 . 0 0 "[ . 1 . 2]" 1
498 1 24 VAL QG 1 25 GLU HG2 . . 5.250 4.670 4.465 4.815 . 0 0 "[ . 1 . 2]" 1
499 1 24 VAL QG 1 25 GLU HG3 . . 5.150 4.070 3.673 4.456 . 0 0 "[ . 1 . 2]" 1
500 1 24 VAL QG 1 26 SER HA . . 5.440 3.522 2.879 4.299 . 0 0 "[ . 1 . 2]" 1
501 1 24 VAL QG 1 26 SER QB . . 4.910 3.963 3.359 4.455 . 0 0 "[ . 1 . 2]" 1
502 1 24 VAL QG 1 28 SER H . . 5.500 4.786 4.222 5.416 . 0 0 "[ . 1 . 2]" 1
503 1 24 VAL QG 1 28 SER QB . . 5.500 4.015 3.219 4.468 . 0 0 "[ . 1 . 2]" 1
504 1 24 VAL QG 1 30 LEU QB . . 3.820 2.905 2.431 3.341 . 0 0 "[ . 1 . 2]" 1
505 1 24 VAL QG 1 30 LEU HG . . 4.290 3.787 3.270 4.244 . 0 0 "[ . 1 . 2]" 1
506 1 24 VAL QG 1 31 TRP H . . 4.220 3.133 2.853 3.314 . 0 0 "[ . 1 . 2]" 1
507 1 24 VAL QG 1 31 TRP HA . . 4.050 2.504 2.260 2.735 . 0 0 "[ . 1 . 2]" 1
508 1 24 VAL QG 1 31 TRP HB2 . . 4.500 2.200 2.016 2.456 . 0 0 "[ . 1 . 2]" 1
509 1 24 VAL QG 1 31 TRP HB3 . . 5.000 3.570 3.374 3.812 . 0 0 "[ . 1 . 2]" 1
510 1 24 VAL QG 1 31 TRP HD1 . . 4.090 2.758 2.340 3.062 . 0 0 "[ . 1 . 2]" 1
511 1 24 VAL QG 1 32 ALA H . . 5.010 4.864 4.707 4.998 . 0 0 "[ . 1 . 2]" 1
512 1 24 VAL QG 1 65 GLN QE . . 4.780 3.293 2.041 3.921 . 0 0 "[ . 1 . 2]" 1
513 1 25 GLU H 1 25 GLU HB2 . . 3.660 2.507 2.284 2.766 . 0 0 "[ . 1 . 2]" 1
514 1 25 GLU H 1 25 GLU HB3 . . 3.350 3.625 3.437 3.720 0.370 12 0 "[ . 1 . 2]" 1
515 1 25 GLU H 1 25 GLU HG2 . . 3.620 3.450 2.514 3.707 0.087 12 0 "[ . 1 . 2]" 1
516 1 25 GLU H 1 25 GLU HG3 . . 3.630 2.520 1.884 3.133 . 0 0 "[ . 1 . 2]" 1
517 1 25 GLU H 1 28 SER QB . . 5.500 3.749 2.910 4.414 . 0 0 "[ . 1 . 2]" 1
518 1 25 GLU H 1 30 LEU QD . . 4.800 3.951 2.993 4.477 . 0 0 "[ . 1 . 2]" 1
519 1 25 GLU H 1 30 LEU HG . . 5.500 5.026 4.233 5.579 0.079 13 0 "[ . 1 . 2]" 1
520 1 25 GLU H 1 64 MET ME . . 3.920 3.724 2.903 4.021 0.101 14 0 "[ . 1 . 2]" 1
521 1 25 GLU HA 1 25 GLU HG2 . . 3.770 2.516 2.207 2.838 . 0 0 "[ . 1 . 2]" 1
522 1 25 GLU HA 1 25 GLU HG3 . . 3.850 3.255 3.000 3.603 . 0 0 "[ . 1 . 2]" 1
523 1 25 GLU HA 1 26 SER H . . 3.560 2.236 2.086 2.333 . 0 0 "[ . 1 . 2]" 1
524 1 25 GLU HA 1 26 SER HA . . 4.900 4.543 4.476 4.587 . 0 0 "[ . 1 . 2]" 1
525 1 25 GLU HA 1 26 SER QB . . 5.060 4.573 3.804 4.749 . 0 0 "[ . 1 . 2]" 1
526 1 25 GLU HA 1 27 SER H . . 5.450 3.460 3.138 4.038 . 0 0 "[ . 1 . 2]" 1
527 1 25 GLU HA 1 28 SER H . . 5.500 4.878 4.275 5.571 0.071 12 0 "[ . 1 . 2]" 1
528 1 25 GLU HA 1 28 SER QB . . 5.500 4.536 3.821 4.963 . 0 0 "[ . 1 . 2]" 1
529 1 25 GLU HB2 1 28 SER H . . 5.070 3.697 2.440 4.434 . 0 0 "[ . 1 . 2]" 1
530 1 25 GLU HB2 1 28 SER HA . . 5.170 4.719 4.065 5.081 . 0 0 "[ . 1 . 2]" 1
531 1 25 GLU HB2 1 28 SER QB . . 5.130 2.192 2.011 2.531 . 0 0 "[ . 1 . 2]" 1
532 1 25 GLU HB3 1 27 SER H . . 5.030 3.194 2.664 3.764 . 0 0 "[ . 1 . 2]" 1
533 1 25 GLU HB3 1 28 SER H . . 4.600 3.800 3.162 4.376 . 0 0 "[ . 1 . 2]" 1
534 1 25 GLU HB3 1 28 SER QB . . 5.000 3.002 1.991 3.635 . 0 0 "[ . 1 . 2]" 1
535 1 25 GLU HG2 1 27 SER H . . 5.340 5.181 4.755 5.410 0.070 13 0 "[ . 1 . 2]" 1
536 1 25 GLU HG3 1 26 SER H . . 5.500 5.318 5.087 5.513 0.013 2 0 "[ . 1 . 2]" 1
537 1 26 SER H 1 27 SER H . . 4.840 2.670 2.438 3.195 . 0 0 "[ . 1 . 2]" 1
538 1 26 SER H 1 27 SER HB2 . . 5.500 5.015 4.357 6.405 0.905 5 3 "[ +- *1 . 2]" 1
539 1 26 SER H 1 28 SER H . . 5.220 4.536 4.109 5.166 . 0 0 "[ . 1 . 2]" 1
540 1 26 SER HA 1 27 SER HA . . 5.080 4.800 4.430 4.966 . 0 0 "[ . 1 . 2]" 1
541 1 26 SER HA 1 28 SER H . . 5.370 3.636 3.281 4.093 . 0 0 "[ . 1 . 2]" 1
542 1 26 SER HA 1 31 TRP H . . 5.480 4.341 3.800 5.032 . 0 0 "[ . 1 . 2]" 1
543 1 26 SER HA 1 31 TRP HB2 . . 5.120 2.546 2.080 3.312 . 0 0 "[ . 1 . 2]" 1
544 1 26 SER HA 1 31 TRP HB3 . . 5.270 2.722 2.261 3.495 . 0 0 "[ . 1 . 2]" 1
545 1 26 SER HA 1 31 TRP HD1 . . 5.070 3.971 3.324 4.386 . 0 0 "[ . 1 . 2]" 1
546 1 26 SER HA 1 31 TRP HE1 . . 5.250 4.978 4.452 5.319 0.069 4 0 "[ . 1 . 2]" 1
547 1 26 SER HA 1 31 TRP HE3 . . 5.500 3.779 2.788 5.044 . 0 0 "[ . 1 . 2]" 1
548 1 26 SER QB 1 27 SER H . . 5.180 3.413 2.523 4.051 . 0 0 "[ . 1 . 2]" 1
549 1 26 SER QB 1 31 TRP HD1 . . 5.500 4.314 3.584 5.074 . 0 0 "[ . 1 . 2]" 1
550 1 26 SER QB 1 31 TRP HE1 . . 5.500 4.455 3.484 5.570 0.070 10 0 "[ . 1 . 2]" 1
551 1 27 SER H 1 27 SER HB3 . . 4.090 3.119 2.519 3.672 . 0 0 "[ . 1 . 2]" 1
552 1 27 SER H 1 28 SER H . . 3.730 3.028 1.878 3.769 0.039 12 0 "[ . 1 . 2]" 1
553 1 27 SER HB3 1 28 SER H . . 5.100 4.358 3.611 4.769 . 0 0 "[ . 1 . 2]" 1
554 1 28 SER H 1 28 SER QB . . 3.750 2.617 2.229 2.851 . 0 0 "[ . 1 . 2]" 1
555 1 28 SER H 1 29 LYS H . . 5.190 4.366 4.180 4.585 . 0 0 "[ . 1 . 2]" 1
556 1 28 SER H 1 30 LEU QB . . 5.500 4.875 4.616 5.169 . 0 0 "[ . 1 . 2]" 1
557 1 28 SER H 1 31 TRP HB2 . . 4.860 4.350 3.886 4.915 0.055 12 0 "[ . 1 . 2]" 1
558 1 28 SER H 1 31 TRP HB3 . . 4.690 3.735 3.275 4.546 . 0 0 "[ . 1 . 2]" 1
559 1 28 SER HA 1 29 LYS QB . . 5.150 4.367 4.195 4.541 . 0 0 "[ . 1 . 2]" 1
560 1 28 SER HA 1 30 LEU H . . 4.640 3.925 3.587 4.419 . 0 0 "[ . 1 . 2]" 1
561 1 28 SER QB 1 29 LYS H . . 5.440 3.274 2.559 3.673 . 0 0 "[ . 1 . 2]" 1
562 1 28 SER QB 1 30 LEU H . . 4.560 2.683 2.329 3.006 . 0 0 "[ . 1 . 2]" 1
563 1 28 SER QB 1 30 LEU QB . . 5.500 2.764 2.172 3.312 . 0 0 "[ . 1 . 2]" 1
564 1 28 SER QB 1 30 LEU QD . . 5.500 4.243 3.756 4.608 . 0 0 "[ . 1 . 2]" 1
565 1 28 SER QB 1 31 TRP H . . 5.500 3.260 2.574 3.797 . 0 0 "[ . 1 . 2]" 1
566 1 29 LYS H 1 29 LYS QD . . 5.060 2.483 1.946 4.264 . 0 0 "[ . 1 . 2]" 1
567 1 29 LYS H 1 29 LYS HG2 . . 5.230 3.967 3.403 4.151 . 0 0 "[ . 1 . 2]" 1
568 1 29 LYS H 1 29 LYS HG3 . . 5.240 4.079 2.437 4.429 . 0 0 "[ . 1 . 2]" 1
569 1 29 LYS H 1 30 LEU H . . 4.200 2.755 2.462 3.011 . 0 0 "[ . 1 . 2]" 1
570 1 29 LYS HA 1 29 LYS QD . . 3.770 3.811 3.720 3.850 0.080 8 0 "[ . 1 . 2]" 1
571 1 29 LYS HA 1 29 LYS QE . . 4.610 4.712 4.693 4.725 0.115 18 0 "[ . 1 . 2]" 1
572 1 29 LYS HA 1 29 LYS HG2 . . 3.890 3.653 3.535 4.225 0.335 2 0 "[ . 1 . 2]" 1
573 1 29 LYS HA 1 31 TRP H . . 5.280 4.427 4.071 4.967 . 0 0 "[ . 1 . 2]" 1
574 1 29 LYS HA 1 32 ALA H . . 4.290 3.393 3.076 3.765 . 0 0 "[ . 1 . 2]" 1
575 1 29 LYS HA 1 32 ALA MB . . 3.490 2.757 2.414 3.026 . 0 0 "[ . 1 . 2]" 1
576 1 29 LYS HA 1 33 GLN H . . 5.020 4.174 3.831 4.416 . 0 0 "[ . 1 . 2]" 1
577 1 29 LYS QB 1 29 LYS QD . . 3.030 2.415 2.317 2.506 . 0 0 "[ . 1 . 2]" 1
578 1 29 LYS QB 1 30 LEU H . . 3.520 3.615 3.604 3.628 0.108 5 0 "[ . 1 . 2]" 1
579 1 29 LYS QB 1 30 LEU HA . . 5.350 4.619 4.305 4.791 . 0 0 "[ . 1 . 2]" 1
580 1 29 LYS QB 1 30 LEU QB . . 5.360 4.975 4.846 5.098 . 0 0 "[ . 1 . 2]" 1
581 1 29 LYS QB 1 30 LEU QD . . 5.500 5.148 4.831 5.249 . 0 0 "[ . 1 . 2]" 1
582 1 29 LYS QB 1 32 ALA H . . 5.500 4.646 4.146 4.993 . 0 0 "[ . 1 . 2]" 1
583 1 29 LYS QB 1 32 ALA MB . . 4.040 3.466 3.085 3.830 . 0 0 "[ . 1 . 2]" 1
584 1 29 LYS QB 1 33 GLN H . . 5.410 4.345 3.537 4.565 . 0 0 "[ . 1 . 2]" 1
585 1 29 LYS QB 1 33 GLN HG3 . . 5.500 4.493 3.973 5.050 . 0 0 "[ . 1 . 2]" 1
586 1 29 LYS QD 1 30 LEU H . . 4.790 2.543 2.159 3.465 . 0 0 "[ . 1 . 2]" 1
587 1 29 LYS QD 1 30 LEU QD . . 5.500 4.044 3.090 4.631 . 0 0 "[ . 1 . 2]" 1
588 1 29 LYS QD 1 33 GLN HG3 . . 5.500 4.232 2.123 4.856 . 0 0 "[ . 1 . 2]" 1
589 1 29 LYS QE 1 30 LEU QB . . 2.430 2.348 2.120 2.521 0.091 16 0 "[ . 1 . 2]" 1
590 1 29 LYS QE 1 30 LEU QD . . 5.340 2.414 1.814 3.021 . 0 0 "[ . 1 . 2]" 1
591 1 29 LYS QE 1 33 GLN HE21 . . 4.880 4.055 3.120 4.964 0.084 15 0 "[ . 1 . 2]" 1
592 1 29 LYS QE 1 33 GLN HE22 . . 4.880 4.746 3.935 4.972 0.092 4 0 "[ . 1 . 2]" 1
593 1 29 LYS QE 1 33 GLN HG3 . . 5.500 2.705 2.122 3.165 . 0 0 "[ . 1 . 2]" 1
594 1 29 LYS HG2 1 30 LEU H . . 5.020 3.315 2.935 4.359 . 0 0 "[ . 1 . 2]" 1
595 1 29 LYS HG2 1 30 LEU QD . . 3.960 4.041 3.845 4.932 0.972 5 2 "[ - + 1 . 2]" 1
596 1 29 LYS HG2 1 33 GLN HG2 . . 5.500 2.629 2.152 4.577 . 0 0 "[ . 1 . 2]" 1
597 1 29 LYS HG2 1 33 GLN HG3 . . 5.500 2.851 2.192 4.814 . 0 0 "[ . 1 . 2]" 1
598 1 29 LYS HG3 1 30 LEU H . . 4.930 4.271 2.404 4.585 . 0 0 "[ . 1 . 2]" 1
599 1 29 LYS HG3 1 33 GLN H . . 5.500 5.471 5.191 5.570 0.070 10 0 "[ . 1 . 2]" 1
600 1 29 LYS HG3 1 33 GLN HE21 . . 5.500 5.566 5.307 6.003 0.503 2 1 "[ + . 1 . 2]" 1
601 1 29 LYS HG3 1 33 GLN HG3 . . 5.500 4.054 3.430 4.695 . 0 0 "[ . 1 . 2]" 1
602 1 30 LEU H 1 30 LEU QB . . 3.160 2.202 2.053 2.339 . 0 0 "[ . 1 . 2]" 1
603 1 30 LEU H 1 31 TRP H . . 3.730 2.984 2.738 3.232 . 0 0 "[ . 1 . 2]" 1
604 1 30 LEU H 1 32 ALA H . . 4.600 4.180 3.971 4.522 . 0 0 "[ . 1 . 2]" 1
605 1 30 LEU H 1 33 GLN HG3 . . 5.300 4.552 3.835 5.181 . 0 0 "[ . 1 . 2]" 1
606 1 30 LEU HA 1 30 LEU QD . . 3.110 2.055 1.973 2.516 . 0 0 "[ . 1 . 2]" 1
607 1 30 LEU HA 1 30 LEU HG . . 4.250 3.617 2.124 3.726 . 0 0 "[ . 1 . 2]" 1
608 1 30 LEU HA 1 33 GLN H . . 3.960 3.232 2.927 3.572 . 0 0 "[ . 1 . 2]" 1
609 1 30 LEU HA 1 33 GLN QB . . 3.240 2.581 2.137 3.037 . 0 0 "[ . 1 . 2]" 1
610 1 30 LEU HA 1 33 GLN HE21 . . 5.500 4.589 4.047 5.037 . 0 0 "[ . 1 . 2]" 1
611 1 30 LEU HA 1 33 GLN HG2 . . 4.390 3.198 2.365 3.964 . 0 0 "[ . 1 . 2]" 1
612 1 30 LEU HA 1 33 GLN HG3 . . 4.410 2.410 2.051 3.010 . 0 0 "[ . 1 . 2]" 1
613 1 30 LEU HA 1 34 CYS H . . 4.830 4.808 4.338 4.910 0.080 19 0 "[ . 1 . 2]" 1
614 1 30 LEU HA 1 61 LEU QD . . 5.500 3.974 3.526 5.254 . 0 0 "[ . 1 . 2]" 1
615 1 30 LEU QB 1 31 TRP H . . 3.720 2.520 2.320 2.705 . 0 0 "[ . 1 . 2]" 1
616 1 30 LEU QB 1 31 TRP HA . . 5.480 4.204 3.914 4.444 . 0 0 "[ . 1 . 2]" 1
617 1 30 LEU QB 1 32 ALA H . . 5.350 4.653 4.450 4.878 . 0 0 "[ . 1 . 2]" 1
618 1 30 LEU QB 1 33 GLN QB . . 5.160 4.454 4.036 4.738 . 0 0 "[ . 1 . 2]" 1
619 1 30 LEU QB 1 64 MET ME . . 3.280 3.339 3.116 3.403 0.123 4 0 "[ . 1 . 2]" 1
620 1 30 LEU QB 1 64 MET HG2 . . 4.960 4.853 4.427 5.054 0.094 5 0 "[ . 1 . 2]" 1
621 1 30 LEU QD 1 31 TRP H . . 4.540 3.317 3.030 3.673 . 0 0 "[ . 1 . 2]" 1
622 1 30 LEU QD 1 31 TRP HA . . 5.500 3.181 2.796 3.536 . 0 0 "[ . 1 . 2]" 1
623 1 30 LEU QD 1 31 TRP HD1 . . 5.500 5.171 4.911 5.469 . 0 0 "[ . 1 . 2]" 1
624 1 30 LEU QD 1 33 GLN H . . 5.020 4.022 3.758 4.343 . 0 0 "[ . 1 . 2]" 1
625 1 30 LEU QD 1 33 GLN QB . . 3.160 2.658 2.300 3.031 . 0 0 "[ . 1 . 2]" 1
626 1 30 LEU QD 1 33 GLN HE21 . . 5.340 3.675 2.944 4.272 . 0 0 "[ . 1 . 2]" 1
627 1 30 LEU QD 1 33 GLN HE22 . . 5.180 4.894 4.357 5.134 . 0 0 "[ . 1 . 2]" 1
628 1 30 LEU QD 1 33 GLN HG2 . . 4.320 3.983 3.313 4.275 . 0 0 "[ . 1 . 2]" 1
629 1 30 LEU QD 1 33 GLN HG3 . . 4.460 2.765 2.266 3.007 . 0 0 "[ . 1 . 2]" 1
630 1 30 LEU QD 1 61 LEU HA . . 4.480 2.841 2.427 3.220 . 0 0 "[ . 1 . 2]" 1
631 1 30 LEU QD 1 61 LEU QD . . 3.230 1.775 1.677 2.175 . 0 0 "[ . 1 . 2]" 1
632 1 30 LEU QD 1 61 LEU HG . . 5.260 3.377 2.768 3.948 . 0 0 "[ . 1 . 2]" 1
633 1 30 LEU QD 1 64 MET ME . . 2.920 1.875 1.789 1.962 . 0 0 "[ . 1 . 2]" 1
634 1 30 LEU QD 1 64 MET HG2 . . 3.320 2.522 2.024 2.830 . 0 0 "[ . 1 . 2]" 1
635 1 30 LEU QD 1 64 MET HG3 . . 3.930 3.529 3.213 3.712 . 0 0 "[ . 1 . 2]" 1
636 1 30 LEU QD 1 65 GLN QE . . 5.370 3.300 2.719 3.756 . 0 0 "[ . 1 . 2]" 1
637 1 30 LEU HG 1 31 TRP H . . 5.030 4.800 4.204 5.060 0.030 6 0 "[ . 1 . 2]" 1
638 1 30 LEU HG 1 33 GLN QB . . 5.360 5.179 2.358 5.465 0.105 2 0 "[ . 1 . 2]" 1
639 1 30 LEU HG 1 64 MET ME . . 4.070 2.287 2.026 4.016 . 0 0 "[ . 1 . 2]" 1
640 1 30 LEU HG 1 64 MET HG2 . . 4.310 3.340 2.760 4.350 0.040 13 0 "[ . 1 . 2]" 1
641 1 31 TRP H 1 31 TRP HB2 . . 3.810 2.531 2.365 2.667 . 0 0 "[ . 1 . 2]" 1
642 1 31 TRP H 1 31 TRP HB3 . . 3.740 2.292 2.107 2.528 . 0 0 "[ . 1 . 2]" 1
643 1 31 TRP H 1 31 TRP HD1 . . 5.500 4.958 4.816 5.146 . 0 0 "[ . 1 . 2]" 1
644 1 31 TRP H 1 32 ALA H . . 3.690 2.768 2.647 2.886 . 0 0 "[ . 1 . 2]" 1
645 1 31 TRP H 1 32 ALA MB . . 4.430 4.435 4.267 4.530 0.100 4 0 "[ . 1 . 2]" 1
646 1 31 TRP HA 1 31 TRP HD1 . . 4.780 2.986 2.713 3.360 . 0 0 "[ . 1 . 2]" 1
647 1 31 TRP HA 1 31 TRP HE3 . . 5.160 4.917 4.695 5.062 . 0 0 "[ . 1 . 2]" 1
648 1 31 TRP HA 1 32 ALA MB . . 4.920 4.997 4.953 5.021 0.101 8 0 "[ . 1 . 2]" 1
649 1 31 TRP HA 1 34 CYS H . . 4.550 4.195 3.918 4.570 0.020 10 0 "[ . 1 . 2]" 1
650 1 31 TRP HA 1 34 CYS HB2 . . 4.770 4.347 3.742 4.861 0.091 13 0 "[ . 1 . 2]" 1
651 1 31 TRP HA 1 34 CYS HB3 . . 5.350 4.929 3.973 5.434 0.084 18 0 "[ . 1 . 2]" 1
652 1 31 TRP HA 1 35 VAL H . . 5.500 4.909 4.421 5.542 0.042 15 0 "[ . 1 . 2]" 1
653 1 31 TRP HB2 1 32 ALA H . . 4.210 4.000 3.745 4.265 0.055 19 0 "[ . 1 . 2]" 1
654 1 31 TRP HB2 1 32 ALA MB . . 5.500 5.285 5.141 5.530 0.030 16 0 "[ . 1 . 2]" 1
655 1 31 TRP HB3 1 32 ALA H . . 3.930 2.720 2.364 3.180 . 0 0 "[ . 1 . 2]" 1
656 1 31 TRP HB3 1 32 ALA HA . . 5.370 4.565 4.355 4.838 . 0 0 "[ . 1 . 2]" 1
657 1 31 TRP HB3 1 32 ALA MB . . 5.210 3.941 3.748 4.242 . 0 0 "[ . 1 . 2]" 1
658 1 31 TRP HD1 1 32 ALA H . . 5.500 5.544 5.314 5.584 0.084 17 0 "[ . 1 . 2]" 1
659 1 31 TRP HD1 1 35 VAL QG . . 5.500 4.280 3.405 5.297 . 0 0 "[ . 1 . 2]" 1
660 1 31 TRP HE1 1 35 VAL QG . . 5.030 3.753 2.870 4.734 . 0 0 "[ . 1 . 2]" 1
661 1 31 TRP HE3 1 32 ALA H . . 4.830 3.286 2.461 3.967 . 0 0 "[ . 1 . 2]" 1
662 1 31 TRP HE3 1 32 ALA HA . . 4.580 3.814 3.047 4.542 . 0 0 "[ . 1 . 2]" 1
663 1 31 TRP HE3 1 32 ALA MB . . 4.720 2.857 2.215 3.601 . 0 0 "[ . 1 . 2]" 1
664 1 31 TRP HH2 1 32 ALA MB . . 5.500 5.335 4.563 5.596 0.096 16 0 "[ . 1 . 2]" 1
665 1 31 TRP HH2 1 35 VAL QG . . 5.220 4.220 3.675 4.836 . 0 0 "[ . 1 . 2]" 1
666 1 31 TRP HZ3 1 32 ALA HA . . 5.450 4.728 3.701 5.472 0.022 2 0 "[ . 1 . 2]" 1
667 1 32 ALA H 1 32 ALA MB . . 3.170 2.237 2.154 2.375 . 0 0 "[ . 1 . 2]" 1
668 1 32 ALA H 1 33 GLN H . . 3.750 2.522 2.285 2.736 . 0 0 "[ . 1 . 2]" 1
669 1 32 ALA H 1 33 GLN HA . . 5.280 5.129 4.874 5.341 0.061 15 0 "[ . 1 . 2]" 1
670 1 32 ALA H 1 33 GLN QB . . 4.710 4.439 3.749 4.783 0.073 1 0 "[ . 1 . 2]" 1
671 1 32 ALA H 1 33 GLN HG2 . . 5.500 4.656 4.048 5.014 . 0 0 "[ . 1 . 2]" 1
672 1 32 ALA H 1 33 GLN HG3 . . 5.360 5.421 5.238 5.451 0.091 5 0 "[ . 1 . 2]" 1
673 1 32 ALA H 1 34 CYS H . . 5.120 4.208 3.901 4.371 . 0 0 "[ . 1 . 2]" 1
674 1 32 ALA HA 1 34 CYS H . . 5.270 3.821 3.579 4.051 . 0 0 "[ . 1 . 2]" 1
675 1 32 ALA HA 1 35 VAL H . . 4.830 3.285 2.870 3.573 . 0 0 "[ . 1 . 2]" 1
676 1 32 ALA HA 1 35 VAL HB . . 4.200 2.752 2.157 3.959 . 0 0 "[ . 1 . 2]" 1
677 1 32 ALA HA 1 35 VAL QG . . 4.790 2.925 1.941 3.554 . 0 0 "[ . 1 . 2]" 1
678 1 32 ALA MB 1 33 GLN H . . 3.400 2.692 2.411 2.900 . 0 0 "[ . 1 . 2]" 1
679 1 32 ALA MB 1 33 GLN HG2 . . 5.060 3.957 3.696 4.288 . 0 0 "[ . 1 . 2]" 1
680 1 32 ALA MB 1 33 GLN HG3 . . 5.500 5.196 4.819 5.496 . 0 0 "[ . 1 . 2]" 1
681 1 32 ALA MB 1 34 CYS H . . 4.250 4.357 4.337 4.377 0.127 7 0 "[ . 1 . 2]" 1
682 1 32 ALA MB 1 35 VAL H . . 5.090 4.567 4.247 4.770 . 0 0 "[ . 1 . 2]" 1
683 1 32 ALA MB 1 35 VAL HB . . 5.110 4.148 3.653 5.213 0.103 12 0 "[ . 1 . 2]" 1
684 1 32 ALA MB 1 35 VAL QG . . 5.180 3.815 2.993 4.314 . 0 0 "[ . 1 . 2]" 1
685 1 32 ALA MB 1 36 GLN QG . . 5.190 3.043 2.214 3.676 . 0 0 "[ . 1 . 2]" 1
686 1 33 GLN H 1 33 GLN QB . . 3.060 2.420 2.163 2.559 . 0 0 "[ . 1 . 2]" 1
687 1 33 GLN H 1 33 GLN HE21 . . 5.500 5.346 4.986 5.581 0.081 5 0 "[ . 1 . 2]" 1
688 1 33 GLN H 1 33 GLN HG2 . . 3.820 2.555 2.313 2.815 . 0 0 "[ . 1 . 2]" 1
689 1 33 GLN H 1 33 GLN HG3 . . 3.900 3.436 3.137 3.634 . 0 0 "[ . 1 . 2]" 1
690 1 33 GLN H 1 34 CYS H . . 3.510 2.832 2.591 3.084 . 0 0 "[ . 1 . 2]" 1
691 1 33 GLN H 1 34 CYS HA . . 5.500 5.480 5.310 5.574 0.074 2 0 "[ . 1 . 2]" 1
692 1 33 GLN HA 1 33 GLN HE21 . . 4.940 4.350 3.633 4.954 0.014 9 0 "[ . 1 . 2]" 1
693 1 33 GLN HA 1 33 GLN HE22 . . 5.500 4.685 4.269 5.038 . 0 0 "[ . 1 . 2]" 1
694 1 33 GLN HA 1 33 GLN HG2 . . 3.610 2.594 2.462 2.878 . 0 0 "[ . 1 . 2]" 1
695 1 33 GLN HA 1 33 GLN HG3 . . 3.620 3.686 3.636 3.708 0.088 15 0 "[ . 1 . 2]" 1
696 1 33 GLN HA 1 36 GLN QG . . 3.640 2.839 2.239 3.679 0.039 13 0 "[ . 1 . 2]" 1
697 1 33 GLN QB 1 33 GLN HE21 . . 3.670 2.525 1.831 3.589 . 0 0 "[ . 1 . 2]" 1
698 1 33 GLN QB 1 33 GLN HE22 . . 3.940 3.520 3.316 3.937 . 0 0 "[ . 1 . 2]" 1
699 1 33 GLN QB 1 34 CYS H . . 3.490 2.780 2.501 3.061 . 0 0 "[ . 1 . 2]" 1
700 1 33 GLN HE21 1 57 LEU QD . . 5.500 5.082 4.555 5.460 . 0 0 "[ . 1 . 2]" 1
701 1 33 GLN HE21 1 60 VAL QG . . 4.160 2.706 2.048 3.559 . 0 0 "[ . 1 . 2]" 1
702 1 33 GLN HE22 1 33 GLN HG2 . . 4.030 4.097 3.986 4.120 0.090 14 0 "[ . 1 . 2]" 1
703 1 33 GLN HE22 1 33 GLN HG3 . . 3.890 3.597 3.477 3.813 . 0 0 "[ . 1 . 2]" 1
704 1 33 GLN HE22 1 37 LEU QD . . 4.990 4.363 3.526 4.978 . 0 0 "[ . 1 . 2]" 1
705 1 33 GLN HE22 1 60 VAL HB . . 5.500 5.311 4.045 5.602 0.102 15 0 "[ . 1 . 2]" 1
706 1 33 GLN HE22 1 60 VAL QG . . 4.070 3.184 2.523 3.709 . 0 0 "[ . 1 . 2]" 1
707 1 33 GLN HG3 1 60 VAL QG . . 5.000 4.099 3.601 4.587 . 0 0 "[ . 1 . 2]" 1
708 1 34 CYS H 1 34 CYS HB3 . . 3.820 3.112 2.659 3.618 . 0 0 "[ . 1 . 2]" 1
709 1 34 CYS H 1 35 VAL H . . 3.800 2.451 2.177 2.695 . 0 0 "[ . 1 . 2]" 1
710 1 34 CYS H 1 35 VAL HB . . 5.150 4.444 3.950 4.727 . 0 0 "[ . 1 . 2]" 1
711 1 34 CYS H 1 35 VAL QG . . 5.500 3.833 3.639 4.095 . 0 0 "[ . 1 . 2]" 1
712 1 34 CYS HA 1 37 LEU HB2 . . 4.270 3.982 3.250 4.342 0.072 15 0 "[ . 1 . 2]" 1
713 1 34 CYS HA 1 37 LEU HB3 . . 5.030 3.276 2.958 4.158 . 0 0 "[ . 1 . 2]" 1
714 1 34 CYS HA 1 57 LEU QD . . 3.020 2.084 1.904 2.342 . 0 0 "[ . 1 . 2]" 1
715 1 34 CYS HA 1 61 LEU QD . . 4.840 3.687 3.045 4.528 . 0 0 "[ . 1 . 2]" 1
716 1 34 CYS HB2 1 35 VAL H . . 4.300 3.301 2.250 3.916 . 0 0 "[ . 1 . 2]" 1
717 1 34 CYS HB2 1 57 LEU QD . . 4.000 3.775 3.377 4.054 0.054 7 0 "[ . 1 . 2]" 1
718 1 34 CYS HB2 1 61 LEU QD . . 5.500 3.129 2.167 4.218 . 0 0 "[ . 1 . 2]" 1
719 1 34 CYS HB3 1 35 VAL H . . 4.300 2.710 2.155 3.599 . 0 0 "[ . 1 . 2]" 1
720 1 34 CYS HB3 1 35 VAL HB . . 5.390 4.693 3.560 5.458 0.068 2 0 "[ . 1 . 2]" 1
721 1 34 CYS HB3 1 57 LEU QD . . 4.540 4.021 3.269 4.398 . 0 0 "[ . 1 . 2]" 1
722 1 34 CYS HB3 1 61 LEU QD . . 5.500 4.140 3.551 4.795 . 0 0 "[ . 1 . 2]" 1
723 1 35 VAL H 1 35 VAL HB . . 3.620 2.374 1.994 2.589 . 0 0 "[ . 1 . 2]" 1
724 1 35 VAL H 1 35 VAL QG . . 3.740 2.169 1.930 2.711 . 0 0 "[ . 1 . 2]" 1
725 1 35 VAL HA 1 36 GLN HA . . 5.130 4.692 4.462 4.812 . 0 0 "[ . 1 . 2]" 1
726 1 35 VAL HA 1 36 GLN QG . . 5.360 5.385 5.252 5.468 0.108 8 0 "[ . 1 . 2]" 1
727 1 35 VAL HA 1 38 HIS H . . 4.300 3.693 3.230 4.193 . 0 0 "[ . 1 . 2]" 1
728 1 35 VAL HA 1 38 HIS HB3 . . 4.640 3.243 2.609 3.949 . 0 0 "[ . 1 . 2]" 1
729 1 35 VAL HA 1 39 ASN QD . . 5.500 4.787 3.937 5.240 . 0 0 "[ . 1 . 2]" 1
730 1 35 VAL HB 1 36 GLN H . . 3.850 2.922 2.419 3.886 0.036 17 0 "[ . 1 . 2]" 1
731 1 35 VAL HB 1 36 GLN QB . . 5.110 4.432 3.916 5.213 0.103 17 0 "[ . 1 . 2]" 1
732 1 35 VAL HB 1 36 GLN QG . . 5.500 4.797 4.237 5.604 0.104 18 0 "[ . 1 . 2]" 1
733 1 35 VAL HB 1 37 LEU H . . 5.220 5.091 4.691 5.316 0.096 17 0 "[ . 1 . 2]" 1
734 1 35 VAL QG 1 36 GLN H . . 4.540 3.006 2.063 3.497 . 0 0 "[ . 1 . 2]" 1
735 1 35 VAL QG 1 36 GLN HA . . 4.240 3.380 3.017 3.730 . 0 0 "[ . 1 . 2]" 1
736 1 35 VAL QG 1 36 GLN QB . . 5.500 3.646 2.632 4.191 . 0 0 "[ . 1 . 2]" 1
737 1 35 VAL QG 1 36 GLN QG . . 5.500 4.352 3.477 4.803 . 0 0 "[ . 1 . 2]" 1
738 1 35 VAL QG 1 37 LEU H . . 5.280 4.527 3.866 4.904 . 0 0 "[ . 1 . 2]" 1
739 1 35 VAL QG 1 39 ASN QD . . 4.300 3.356 2.740 3.826 . 0 0 "[ . 1 . 2]" 1
740 1 36 GLN H 1 36 GLN QB . . 3.190 2.464 2.171 2.694 . 0 0 "[ . 1 . 2]" 1
741 1 36 GLN H 1 36 GLN QG . . 3.490 2.373 2.197 2.578 . 0 0 "[ . 1 . 2]" 1
742 1 36 GLN H 1 37 LEU H . . 3.440 2.585 2.080 2.824 . 0 0 "[ . 1 . 2]" 1
743 1 36 GLN H 1 37 LEU HB3 . . 5.500 5.131 4.623 5.583 0.083 5 0 "[ . 1 . 2]" 1
744 1 36 GLN H 1 39 ASN QD . . 5.500 4.415 4.066 4.755 . 0 0 "[ . 1 . 2]" 1
745 1 36 GLN HA 1 36 GLN HE21 . . 4.640 4.101 3.739 4.538 . 0 0 "[ . 1 . 2]" 1
746 1 36 GLN HA 1 36 GLN HE22 . . 5.500 5.242 4.812 5.471 . 0 0 "[ . 1 . 2]" 1
747 1 36 GLN HA 1 36 GLN QG . . 3.430 3.467 3.402 3.504 0.074 3 0 "[ . 1 . 2]" 1
748 1 36 GLN HA 1 39 ASN QD . . 4.120 2.126 1.893 2.421 . 0 0 "[ . 1 . 2]" 1
749 1 36 GLN QB 1 37 LEU H . . 3.620 3.599 3.454 3.700 0.080 8 0 "[ . 1 . 2]" 1
750 1 36 GLN QB 1 37 LEU HB2 . . 5.500 4.852 4.659 5.169 . 0 0 "[ . 1 . 2]" 1
751 1 36 GLN QB 1 38 HIS H . . 5.500 5.111 4.900 5.428 . 0 0 "[ . 1 . 2]" 1
752 1 36 GLN QB 1 39 ASN QD . . 4.440 3.320 2.733 3.882 . 0 0 "[ . 1 . 2]" 1
753 1 36 GLN HE21 1 37 LEU QD . . 5.500 3.201 2.338 3.911 . 0 0 "[ . 1 . 2]" 1
754 1 36 GLN HE21 1 37 LEU HG . . 5.500 3.767 2.556 5.205 . 0 0 "[ . 1 . 2]" 1
755 1 36 GLN HE21 1 57 LEU QD . . 5.500 5.217 4.589 5.495 . 0 0 "[ . 1 . 2]" 1
756 1 36 GLN HE22 1 36 GLN QG . . 3.490 3.421 3.371 3.514 0.024 7 0 "[ . 1 . 2]" 1
757 1 36 GLN HE22 1 37 LEU QD . . 4.140 3.445 2.401 4.075 . 0 0 "[ . 1 . 2]" 1
758 1 36 GLN HE22 1 40 ASP H . . 5.500 5.241 4.564 5.574 0.074 5 0 "[ . 1 . 2]" 1
759 1 36 GLN QG 1 37 LEU H . . 3.800 2.236 1.986 2.514 . 0 0 "[ . 1 . 2]" 1
760 1 36 GLN QG 1 37 LEU QD . . 5.040 3.963 3.497 4.361 . 0 0 "[ . 1 . 2]" 1
761 1 36 GLN QG 1 37 LEU HG . . 5.500 5.105 3.957 5.590 0.090 11 0 "[ . 1 . 2]" 1
762 1 36 GLN QG 1 39 ASN QD . . 5.500 4.771 4.470 5.191 . 0 0 "[ . 1 . 2]" 1
763 1 37 LEU H 1 37 LEU HB2 . . 4.000 2.374 2.062 2.808 . 0 0 "[ . 1 . 2]" 1
764 1 37 LEU H 1 37 LEU HB3 . . 3.960 2.729 2.496 3.270 . 0 0 "[ . 1 . 2]" 1
765 1 37 LEU H 1 40 ASP HB2 . . 5.240 4.976 4.773 5.312 0.072 5 0 "[ . 1 . 2]" 1
766 1 37 LEU H 1 57 LEU QD . . 4.150 3.997 3.627 4.198 0.048 1 0 "[ . 1 . 2]" 1
767 1 37 LEU HA 1 37 LEU QD . . 3.450 2.540 1.925 3.030 . 0 0 "[ . 1 . 2]" 1
768 1 37 LEU HA 1 37 LEU HG . . 4.240 2.556 2.048 3.480 . 0 0 "[ . 1 . 2]" 1
769 1 37 LEU HA 1 39 ASN H . . 5.500 4.400 4.241 4.600 . 0 0 "[ . 1 . 2]" 1
770 1 37 LEU HA 1 40 ASP H . . 4.350 3.189 2.822 3.506 . 0 0 "[ . 1 . 2]" 1
771 1 37 LEU HA 1 40 ASP HB2 . . 4.360 2.237 1.976 2.691 . 0 0 "[ . 1 . 2]" 1
772 1 37 LEU HA 1 40 ASP HB3 . . 4.260 3.783 3.277 4.313 0.053 5 0 "[ . 1 . 2]" 1
773 1 37 LEU HB2 1 38 HIS H . . 4.290 3.973 3.368 4.219 . 0 0 "[ . 1 . 2]" 1
774 1 37 LEU HB2 1 57 LEU QD . . 3.830 3.106 2.424 3.408 . 0 0 "[ . 1 . 2]" 1
775 1 37 LEU HB3 1 38 HIS H . . 4.060 3.145 2.945 3.415 . 0 0 "[ . 1 . 2]" 1
776 1 37 LEU HB3 1 38 HIS HA . . 4.400 4.429 4.113 4.485 0.085 6 0 "[ . 1 . 2]" 1
777 1 37 LEU HB3 1 57 LEU QD . . 3.960 2.160 1.939 2.459 . 0 0 "[ . 1 . 2]" 1
778 1 37 LEU QD 1 40 ASP HB2 . . 4.020 2.927 2.215 3.480 . 0 0 "[ . 1 . 2]" 1
779 1 37 LEU QD 1 40 ASP HB3 . . 4.920 3.513 2.116 4.274 . 0 0 "[ . 1 . 2]" 1
780 1 37 LEU QD 1 41 ILE HA . . 5.500 4.654 4.139 5.372 . 0 0 "[ . 1 . 2]" 1
781 1 37 LEU QD 1 53 LYS HB2 . . 5.500 2.243 1.981 3.049 . 0 0 "[ . 1 . 2]" 1
782 1 37 LEU QD 1 53 LYS HB3 . . 5.500 3.152 1.966 3.854 . 0 0 "[ . 1 . 2]" 1
783 1 37 LEU QD 1 53 LYS HD2 . . 3.950 2.992 2.325 3.843 . 0 0 "[ . 1 . 2]" 1
784 1 37 LEU QD 1 53 LYS HD3 . . 3.870 2.578 2.045 3.589 . 0 0 "[ . 1 . 2]" 1
785 1 37 LEU QD 1 53 LYS QE . . 4.720 3.915 3.395 4.350 . 0 0 "[ . 1 . 2]" 1
786 1 37 LEU QD 1 53 LYS QG . . 3.980 2.738 2.014 3.600 . 0 0 "[ . 1 . 2]" 1
787 1 37 LEU QD 1 56 SER H . . 4.900 4.377 4.030 4.858 . 0 0 "[ . 1 . 2]" 1
788 1 37 LEU QD 1 56 SER QB . . 5.500 3.676 3.229 4.247 . 0 0 "[ . 1 . 2]" 1
789 1 37 LEU QD 1 57 LEU HA . . 3.870 3.682 3.005 3.938 0.068 11 0 "[ . 1 . 2]" 1
790 1 37 LEU QD 1 57 LEU QD . . 2.860 2.044 1.793 2.207 . 0 0 "[ . 1 . 2]" 1
791 1 37 LEU HG 1 57 LEU QD . . 4.350 3.502 2.285 4.306 . 0 0 "[ . 1 . 2]" 1
792 1 38 HIS H 1 38 HIS HB2 . . 3.490 2.608 2.365 3.008 . 0 0 "[ . 1 . 2]" 1
793 1 38 HIS H 1 38 HIS HB3 . . 3.570 2.391 2.185 2.683 . 0 0 "[ . 1 . 2]" 1
794 1 38 HIS H 1 39 ASN H . . 3.910 2.823 2.359 3.041 . 0 0 "[ . 1 . 2]" 1
795 1 38 HIS H 1 39 ASN QD . . 5.420 4.354 3.456 4.858 . 0 0 "[ . 1 . 2]" 1
796 1 38 HIS H 1 57 LEU QD . . 4.520 4.016 3.646 4.409 . 0 0 "[ . 1 . 2]" 1
797 1 38 HIS HA 1 38 HIS HD2 . . 5.170 3.276 2.930 3.701 . 0 0 "[ . 1 . 2]" 1
798 1 38 HIS HA 1 39 ASN HA . . 4.680 4.714 4.566 4.760 0.080 7 0 "[ . 1 . 2]" 1
799 1 38 HIS HA 1 40 ASP H . . 4.850 4.480 4.234 4.653 . 0 0 "[ . 1 . 2]" 1
800 1 38 HIS HA 1 40 ASP HB2 . . 5.500 5.336 5.095 5.576 0.076 1 0 "[ . 1 . 2]" 1
801 1 38 HIS HA 1 41 ILE HB . . 4.970 4.092 3.881 4.382 . 0 0 "[ . 1 . 2]" 1
802 1 38 HIS HA 1 41 ILE MD . . 3.970 3.757 3.468 4.043 0.073 3 0 "[ . 1 . 2]" 1
803 1 38 HIS HA 1 42 LEU H . . 5.500 5.357 5.003 5.579 0.079 8 0 "[ . 1 . 2]" 1
804 1 38 HIS HA 1 77 MET ME . . 4.510 3.653 3.167 4.226 . 0 0 "[ . 1 . 2]" 1
805 1 38 HIS HB2 1 39 ASN H . . 3.950 3.891 3.694 4.024 0.074 6 0 "[ . 1 . 2]" 1
806 1 38 HIS HB2 1 57 LEU QD . . 5.020 4.398 4.023 4.813 . 0 0 "[ . 1 . 2]" 1
807 1 38 HIS HB2 1 73 LEU QD . . 4.410 3.480 2.771 3.968 . 0 0 "[ . 1 . 2]" 1
808 1 38 HIS HB3 1 39 ASN H . . 3.300 2.541 2.290 2.802 . 0 0 "[ . 1 . 2]" 1
809 1 38 HIS HB3 1 41 ILE QG . . 5.500 5.078 4.787 5.259 . 0 0 "[ . 1 . 2]" 1
810 1 38 HIS HB3 1 73 LEU QD . . 5.290 4.851 4.020 5.273 . 0 0 "[ . 1 . 2]" 1
811 1 38 HIS HD2 1 73 LEU QD . . 4.450 3.073 2.347 3.988 . 0 0 "[ . 1 . 2]" 1
812 1 38 HIS HD2 1 73 LEU HG . . 5.500 5.066 4.112 5.579 0.079 15 0 "[ . 1 . 2]" 1
813 1 38 HIS HD2 1 77 MET H . . 5.500 4.471 3.411 5.379 . 0 0 "[ . 1 . 2]" 1
814 1 38 HIS HD2 1 77 MET ME . . 4.140 3.690 2.755 4.221 0.081 9 0 "[ . 1 . 2]" 1
815 1 38 HIS HD2 1 77 MET HG2 . . 5.390 4.183 3.694 4.668 . 0 0 "[ . 1 . 2]" 1
816 1 38 HIS HD2 1 77 MET HG3 . . 5.340 4.726 4.308 5.185 . 0 0 "[ . 1 . 2]" 1
817 1 38 HIS HE1 1 42 LEU QD . . 3.850 3.493 2.687 3.907 0.057 11 0 "[ . 1 . 2]" 1
818 1 38 HIS HE1 1 42 LEU HG . . 5.500 5.075 4.254 5.569 0.069 4 0 "[ . 1 . 2]" 1
819 1 39 ASN H 1 39 ASN HB2 . . 3.810 3.226 2.863 3.721 . 0 0 "[ . 1 . 2]" 1
820 1 39 ASN H 1 39 ASN HB3 . . 3.700 3.325 2.629 3.733 0.033 6 0 "[ . 1 . 2]" 1
821 1 39 ASN H 1 39 ASN QD . . 4.980 2.635 2.141 3.396 . 0 0 "[ . 1 . 2]" 1
822 1 39 ASN H 1 40 ASP H . . 3.820 2.674 2.537 2.775 . 0 0 "[ . 1 . 2]" 1
823 1 39 ASN H 1 40 ASP HA . . 5.450 5.267 5.175 5.352 . 0 0 "[ . 1 . 2]" 1
824 1 39 ASN H 1 41 ILE QG . . 5.410 4.737 4.375 4.937 . 0 0 "[ . 1 . 2]" 1
825 1 39 ASN HA 1 41 ILE H . . 4.440 3.706 3.373 4.023 . 0 0 "[ . 1 . 2]" 1
826 1 39 ASN HA 1 41 ILE QG . . 5.500 4.882 4.687 5.149 . 0 0 "[ . 1 . 2]" 1
827 1 39 ASN HA 1 42 LEU H . . 4.220 3.609 3.205 4.007 . 0 0 "[ . 1 . 2]" 1
828 1 39 ASN HA 1 42 LEU HB2 . . 4.660 3.657 3.405 4.276 . 0 0 "[ . 1 . 2]" 1
829 1 39 ASN HA 1 42 LEU QD . . 3.710 3.072 1.974 3.758 0.048 6 0 "[ . 1 . 2]" 1
830 1 39 ASN HA 1 42 LEU HG . . 4.360 3.908 3.110 4.435 0.075 6 0 "[ . 1 . 2]" 1
831 1 39 ASN HA 1 43 LEU QD . . 4.770 3.554 3.002 4.213 . 0 0 "[ . 1 . 2]" 1
832 1 39 ASN HB2 1 40 ASP H . . 4.090 3.116 2.319 4.163 0.073 14 0 "[ . 1 . 2]" 1
833 1 39 ASN HB2 1 41 ILE H . . 5.170 4.919 4.692 5.231 0.061 12 0 "[ . 1 . 2]" 1
834 1 39 ASN HB2 1 42 LEU QD . . 5.310 5.033 3.730 6.091 0.781 6 5 "[- * .+* 1 * . 2]" 1
835 1 39 ASN HB2 1 43 LEU QD . . 4.250 2.966 2.146 3.969 . 0 0 "[ . 1 . 2]" 1
836 1 39 ASN HB3 1 40 ASP H . . 4.280 3.981 3.636 4.272 . 0 0 "[ . 1 . 2]" 1
837 1 39 ASN HB3 1 41 ILE H . . 5.500 5.326 4.972 5.572 0.072 2 0 "[ . 1 . 2]" 1
838 1 39 ASN HB3 1 43 LEU QD . . 4.980 3.140 2.151 4.239 . 0 0 "[ . 1 . 2]" 1
839 1 39 ASN QD 1 40 ASP H . . 5.250 3.522 3.074 4.014 . 0 0 "[ . 1 . 2]" 1
840 1 39 ASN QD 1 40 ASP HA . . 5.500 5.239 4.966 5.397 . 0 0 "[ . 1 . 2]" 1
841 1 40 ASP H 1 40 ASP HB2 . . 3.340 2.327 2.051 2.517 . 0 0 "[ . 1 . 2]" 1
842 1 40 ASP H 1 40 ASP HB3 . . 3.770 3.524 3.247 3.637 . 0 0 "[ . 1 . 2]" 1
843 1 40 ASP H 1 41 ILE H . . 3.790 2.914 2.784 3.070 . 0 0 "[ . 1 . 2]" 1
844 1 40 ASP H 1 41 ILE HA . . 5.450 5.431 5.344 5.501 0.051 7 0 "[ . 1 . 2]" 1
845 1 40 ASP H 1 41 ILE HB . . 5.500 5.269 4.867 5.443 . 0 0 "[ . 1 . 2]" 1
846 1 40 ASP H 1 41 ILE MD . . 4.570 4.569 4.362 4.662 0.092 15 0 "[ . 1 . 2]" 1
847 1 40 ASP H 1 41 ILE QG . . 4.660 4.260 3.816 4.632 . 0 0 "[ . 1 . 2]" 1
848 1 40 ASP H 1 42 LEU H . . 5.030 4.746 4.542 4.964 . 0 0 "[ . 1 . 2]" 1
849 1 40 ASP H 1 43 LEU H . . 5.500 4.817 4.524 5.382 . 0 0 "[ . 1 . 2]" 1
850 1 40 ASP H 1 43 LEU QB . . 5.050 4.509 4.117 5.014 . 0 0 "[ . 1 . 2]" 1
851 1 40 ASP H 1 43 LEU QD . . 5.500 4.360 3.930 4.947 . 0 0 "[ . 1 . 2]" 1
852 1 40 ASP HA 1 43 LEU H . . 4.220 3.232 2.897 3.841 . 0 0 "[ . 1 . 2]" 1
853 1 40 ASP HA 1 43 LEU QB . . 3.640 2.353 2.063 2.798 . 0 0 "[ . 1 . 2]" 1
854 1 40 ASP HA 1 43 LEU QD . . 4.020 3.449 3.154 3.853 . 0 0 "[ . 1 . 2]" 1
855 1 40 ASP HA 1 44 ALA H . . 5.010 4.412 3.186 4.833 . 0 0 "[ . 1 . 2]" 1
856 1 40 ASP HA 1 44 ALA MB . . 5.500 4.691 4.371 5.051 . 0 0 "[ . 1 . 2]" 1
857 1 40 ASP HB2 1 41 ILE H . . 4.760 3.557 2.928 3.903 . 0 0 "[ . 1 . 2]" 1
858 1 40 ASP HB2 1 41 ILE HA . . 5.140 4.928 4.460 5.222 0.082 15 0 "[ . 1 . 2]" 1
859 1 40 ASP HB2 1 41 ILE MD . . 5.160 3.753 3.161 4.033 . 0 0 "[ . 1 . 2]" 1
860 1 40 ASP HB2 1 53 LYS HD2 . . 4.800 3.244 2.609 4.147 . 0 0 "[ . 1 . 2]" 1
861 1 40 ASP HB2 1 53 LYS HD3 . . 5.250 3.474 2.591 4.308 . 0 0 "[ . 1 . 2]" 1
862 1 40 ASP HB2 1 53 LYS QG . . 5.500 4.653 3.642 5.256 . 0 0 "[ . 1 . 2]" 1
863 1 40 ASP HB3 1 41 ILE H . . 4.540 3.984 3.237 4.359 . 0 0 "[ . 1 . 2]" 1
864 1 40 ASP HB3 1 41 ILE MD . . 5.040 3.863 2.652 4.472 . 0 0 "[ . 1 . 2]" 1
865 1 40 ASP HB3 1 43 LEU H . . 5.500 5.205 4.728 5.567 0.067 3 0 "[ . 1 . 2]" 1
866 1 40 ASP HB3 1 43 LEU QB . . 5.500 4.582 4.097 5.198 . 0 0 "[ . 1 . 2]" 1
867 1 40 ASP HB3 1 53 LYS HD2 . . 4.790 2.482 2.077 3.104 . 0 0 "[ . 1 . 2]" 1
868 1 40 ASP HB3 1 53 LYS HD3 . . 4.540 2.840 2.167 3.365 . 0 0 "[ . 1 . 2]" 1
869 1 40 ASP HB3 1 53 LYS QE . . 3.950 2.927 1.875 3.778 . 0 0 "[ . 1 . 2]" 1
870 1 40 ASP HB3 1 53 LYS QG . . 5.020 4.200 3.492 4.659 . 0 0 "[ . 1 . 2]" 1
871 1 41 ILE H 1 41 ILE HB . . 3.350 2.530 2.344 2.697 . 0 0 "[ . 1 . 2]" 1
872 1 41 ILE H 1 41 ILE MD . . 3.630 2.996 2.675 3.336 . 0 0 "[ . 1 . 2]" 1
873 1 41 ILE H 1 41 ILE QG . . 3.700 2.363 1.938 2.629 . 0 0 "[ . 1 . 2]" 1
874 1 41 ILE H 1 41 ILE MG . . 3.790 3.809 3.656 3.857 0.067 14 0 "[ . 1 . 2]" 1
875 1 41 ILE H 1 42 LEU H . . 3.890 2.450 2.090 2.859 . 0 0 "[ . 1 . 2]" 1
876 1 41 ILE H 1 42 LEU HA . . 5.500 5.117 4.790 5.487 . 0 0 "[ . 1 . 2]" 1
877 1 41 ILE H 1 42 LEU HB2 . . 5.500 4.658 4.169 5.091 . 0 0 "[ . 1 . 2]" 1
878 1 41 ILE H 1 42 LEU HG . . 5.240 4.597 3.771 5.340 0.100 8 0 "[ . 1 . 2]" 1
879 1 41 ILE H 1 43 LEU H . . 5.160 3.557 3.260 3.858 . 0 0 "[ . 1 . 2]" 1
880 1 41 ILE H 1 44 ALA H . . 5.320 4.861 4.339 5.143 . 0 0 "[ . 1 . 2]" 1
881 1 41 ILE H 1 53 LYS HD2 . . 4.450 4.186 3.626 4.528 0.078 8 0 "[ . 1 . 2]" 1
882 1 41 ILE HA 1 41 ILE MD . . 3.740 2.226 2.099 2.377 . 0 0 "[ . 1 . 2]" 1
883 1 41 ILE HA 1 43 LEU H . . 5.250 4.279 3.915 4.622 . 0 0 "[ . 1 . 2]" 1
884 1 41 ILE HA 1 44 ALA H . . 4.390 3.883 3.696 4.110 . 0 0 "[ . 1 . 2]" 1
885 1 41 ILE HA 1 44 ALA HA . . 5.310 5.013 4.405 5.375 0.065 19 0 "[ . 1 . 2]" 1
886 1 41 ILE HA 1 44 ALA MB . . 4.050 2.781 2.361 3.106 . 0 0 "[ . 1 . 2]" 1
887 1 41 ILE HA 1 50 ALA HA . . 4.350 2.819 2.475 3.185 . 0 0 "[ . 1 . 2]" 1
888 1 41 ILE HA 1 50 ALA MB . . 4.490 2.854 2.377 3.297 . 0 0 "[ . 1 . 2]" 1
889 1 41 ILE HA 1 53 LYS H . . 5.370 5.366 5.079 5.454 0.084 19 0 "[ . 1 . 2]" 1
890 1 41 ILE HA 1 53 LYS HD3 . . 5.470 4.865 3.982 5.511 0.041 13 0 "[ . 1 . 2]" 1
891 1 41 ILE HA 1 53 LYS QG . . 5.500 3.580 3.072 3.888 . 0 0 "[ . 1 . 2]" 1
892 1 41 ILE HB 1 42 LEU H . . 3.770 2.301 2.016 2.505 . 0 0 "[ . 1 . 2]" 1
893 1 41 ILE HB 1 42 LEU QD . . 3.630 2.882 1.987 3.530 . 0 0 "[ . 1 . 2]" 1
894 1 41 ILE HB 1 42 LEU HG . . 4.710 3.519 2.696 4.795 0.085 19 0 "[ . 1 . 2]" 1
895 1 41 ILE HB 1 44 ALA MB . . 5.500 5.132 4.801 5.331 . 0 0 "[ . 1 . 2]" 1
896 1 41 ILE MD 1 42 LEU H . . 4.600 4.485 4.378 4.558 . 0 0 "[ . 1 . 2]" 1
897 1 41 ILE MD 1 44 ALA H . . 5.500 5.452 5.205 5.585 0.085 2 0 "[ . 1 . 2]" 1
898 1 41 ILE MD 1 50 ALA HA . . 5.440 3.609 3.279 3.927 . 0 0 "[ . 1 . 2]" 1
899 1 41 ILE MD 1 53 LYS H . . 5.170 3.658 3.353 4.203 . 0 0 "[ . 1 . 2]" 1
900 1 41 ILE MD 1 53 LYS HB3 . . 5.500 4.138 3.138 4.554 . 0 0 "[ . 1 . 2]" 1
901 1 41 ILE MD 1 53 LYS HD2 . . 5.150 2.494 2.053 3.205 . 0 0 "[ . 1 . 2]" 1
902 1 41 ILE MD 1 53 LYS QE . . 5.070 3.772 2.755 4.555 . 0 0 "[ . 1 . 2]" 1
903 1 41 ILE MD 1 54 MET H . . 4.240 2.686 2.529 2.899 . 0 0 "[ . 1 . 2]" 1
904 1 41 ILE MD 1 54 MET HA . . 3.520 2.941 2.527 3.255 . 0 0 "[ . 1 . 2]" 1
905 1 41 ILE MD 1 54 MET HB2 . . 4.440 3.101 2.086 3.677 . 0 0 "[ . 1 . 2]" 1
906 1 41 ILE MD 1 54 MET HB3 . . 4.690 2.238 1.982 3.141 . 0 0 "[ . 1 . 2]" 1
907 1 41 ILE MD 1 54 MET ME . . 3.600 2.543 2.214 2.773 . 0 0 "[ . 1 . 2]" 1
908 1 41 ILE MD 1 54 MET QG . . 4.210 3.564 3.246 3.780 . 0 0 "[ . 1 . 2]" 1
909 1 41 ILE QG 1 44 ALA MB . . 5.500 5.227 4.926 5.547 0.047 7 0 "[ . 1 . 2]" 1
910 1 41 ILE QG 1 50 ALA MB . . 5.490 4.513 4.196 4.911 . 0 0 "[ . 1 . 2]" 1
911 1 41 ILE QG 1 54 MET H . . 4.620 4.550 4.394 4.706 0.086 7 0 "[ . 1 . 2]" 1
912 1 41 ILE QG 1 54 MET HA . . 5.500 4.387 3.828 4.700 . 0 0 "[ . 1 . 2]" 1
913 1 41 ILE MG 1 42 LEU H . . 4.080 3.376 2.988 3.635 . 0 0 "[ . 1 . 2]" 1
914 1 41 ILE MG 1 42 LEU HA . . 4.330 3.533 3.185 3.867 . 0 0 "[ . 1 . 2]" 1
915 1 41 ILE MG 1 42 LEU QD . . 3.070 2.708 2.473 3.030 . 0 0 "[ . 1 . 2]" 1
916 1 41 ILE MG 1 44 ALA H . . 4.830 4.762 4.595 4.945 0.115 13 0 "[ . 1 . 2]" 1
917 1 41 ILE MG 1 44 ALA MB . . 4.200 3.855 3.560 4.241 0.041 6 0 "[ . 1 . 2]" 1
918 1 41 ILE MG 1 50 ALA HA . . 4.350 3.524 3.190 4.391 0.041 6 0 "[ . 1 . 2]" 1
919 1 41 ILE MG 1 50 ALA MB . . 3.760 2.165 1.964 3.014 . 0 0 "[ . 1 . 2]" 1
920 1 41 ILE MG 1 51 PHE H . . 5.500 3.986 3.705 4.477 . 0 0 "[ . 1 . 2]" 1
921 1 41 ILE MG 1 51 PHE HA . . 5.150 3.102 2.829 3.370 . 0 0 "[ . 1 . 2]" 1
922 1 41 ILE MG 1 54 MET H . . 4.540 4.453 4.160 4.635 0.095 18 0 "[ . 1 . 2]" 1
923 1 41 ILE MG 1 54 MET ME . . 2.830 2.040 1.863 2.287 . 0 0 "[ . 1 . 2]" 1
924 1 41 ILE MG 1 54 MET QG . . 4.110 4.208 4.136 4.250 0.140 20 0 "[ . 1 . 2]" 1
925 1 41 ILE MG 1 77 MET H . . 5.500 4.992 4.753 5.244 . 0 0 "[ . 1 . 2]" 1
926 1 41 ILE MG 1 77 MET HA . . 4.140 4.199 4.032 4.257 0.117 6 0 "[ . 1 . 2]" 1
927 1 41 ILE MG 1 77 MET HB3 . . 5.380 4.168 3.617 4.385 . 0 0 "[ . 1 . 2]" 1
928 1 41 ILE MG 1 77 MET HG2 . . 5.430 3.675 3.452 3.917 . 0 0 "[ . 1 . 2]" 1
929 1 41 ILE MG 1 77 MET HG3 . . 4.600 2.165 1.997 2.468 . 0 0 "[ . 1 . 2]" 1
930 1 41 ILE MG 1 78 LEU H . . 5.500 3.975 3.494 4.647 . 0 0 "[ . 1 . 2]" 1
931 1 41 ILE MG 1 78 LEU QD . . 4.550 3.513 2.948 4.025 . 0 0 "[ . 1 . 2]" 1
932 1 41 ILE MG 1 80 ASN QB . . 4.900 4.885 4.594 5.010 0.110 13 0 "[ . 1 . 2]" 1
933 1 41 ILE MG 1 81 ARG H . . 5.370 4.482 3.820 4.988 . 0 0 "[ . 1 . 2]" 1
934 1 41 ILE MG 1 81 ARG HB3 . . 5.280 3.466 2.739 4.064 . 0 0 "[ . 1 . 2]" 1
935 1 41 ILE MG 1 81 ARG QD . . 5.220 3.542 2.937 3.924 . 0 0 "[ . 1 . 2]" 1
936 1 42 LEU H 1 42 LEU HB2 . . 3.590 2.558 2.434 2.652 . 0 0 "[ . 1 . 2]" 1
937 1 42 LEU H 1 42 LEU HB3 . . 4.060 3.579 3.474 3.657 . 0 0 "[ . 1 . 2]" 1
938 1 42 LEU H 1 42 LEU QD . . 3.670 2.574 1.597 3.089 . 0 0 "[ . 1 . 2]" 1
939 1 42 LEU H 1 42 LEU HG . . 3.530 2.598 2.046 3.604 0.074 16 0 "[ . 1 . 2]" 1
940 1 42 LEU HA 1 42 LEU QD . . 3.170 2.200 2.106 2.359 . 0 0 "[ . 1 . 2]" 1
941 1 42 LEU HA 1 42 LEU HG . . 4.250 3.415 3.176 3.808 . 0 0 "[ . 1 . 2]" 1
942 1 42 LEU HA 1 44 ALA H . . 4.780 3.795 3.570 4.814 0.034 13 0 "[ . 1 . 2]" 1
943 1 42 LEU HA 1 80 ASN QB . . 5.150 5.118 4.805 5.247 0.097 12 0 "[ . 1 . 2]" 1
944 1 42 LEU HA 1 81 ARG H . . 5.500 5.040 4.574 5.417 . 0 0 "[ . 1 . 2]" 1
945 1 42 LEU HA 1 81 ARG HA . . 4.490 4.037 3.340 4.487 . 0 0 "[ . 1 . 2]" 1
946 1 42 LEU HA 1 81 ARG HB3 . . 5.500 2.637 2.091 5.214 . 0 0 "[ . 1 . 2]" 1
947 1 42 LEU HA 1 81 ARG QD . . 5.420 4.496 3.765 4.925 . 0 0 "[ . 1 . 2]" 1
948 1 42 LEU HA 1 81 ARG HG2 . . 5.250 3.936 2.198 4.791 . 0 0 "[ . 1 . 2]" 1
949 1 42 LEU HA 1 81 ARG HG3 . . 5.500 5.091 3.300 5.572 0.072 6 0 "[ . 1 . 2]" 1
950 1 42 LEU HA 1 84 LEU QD . . 5.500 4.775 3.712 5.494 . 0 0 "[ . 1 . 2]" 1
951 1 42 LEU HB2 1 43 LEU QD . . 4.840 2.341 2.191 2.533 . 0 0 "[ . 1 . 2]" 1
952 1 42 LEU HB3 1 43 LEU H . . 4.360 3.995 3.739 4.284 . 0 0 "[ . 1 . 2]" 1
953 1 42 LEU HB3 1 43 LEU HA . . 5.300 4.761 4.539 4.970 . 0 0 "[ . 1 . 2]" 1
954 1 42 LEU HB3 1 43 LEU QD . . 4.820 3.138 2.983 3.281 . 0 0 "[ . 1 . 2]" 1
955 1 42 LEU HB3 1 81 ARG HA . . 4.790 4.573 4.167 4.865 0.075 3 0 "[ . 1 . 2]" 1
956 1 42 LEU HB3 1 84 LEU QD . . 5.500 4.274 3.357 5.091 . 0 0 "[ . 1 . 2]" 1
957 1 42 LEU QD 1 43 LEU QD . . 3.700 3.446 3.168 3.616 . 0 0 "[ . 1 . 2]" 1
958 1 42 LEU QD 1 77 MET HA . . 3.570 2.527 2.197 2.824 . 0 0 "[ . 1 . 2]" 1
959 1 42 LEU QD 1 77 MET HG2 . . 5.500 4.734 4.397 5.038 . 0 0 "[ . 1 . 2]" 1
960 1 42 LEU QD 1 77 MET HG3 . . 5.000 4.117 3.749 4.511 . 0 0 "[ . 1 . 2]" 1
961 1 42 LEU QD 1 78 LEU HA . . 5.420 4.210 4.028 4.415 . 0 0 "[ . 1 . 2]" 1
962 1 42 LEU QD 1 80 ASN H . . 4.480 3.679 3.396 4.003 . 0 0 "[ . 1 . 2]" 1
963 1 42 LEU QD 1 80 ASN HA . . 4.730 3.958 3.780 4.244 . 0 0 "[ . 1 . 2]" 1
964 1 42 LEU QD 1 80 ASN QB . . 3.510 1.998 1.894 2.212 . 0 0 "[ . 1 . 2]" 1
965 1 42 LEU QD 1 80 ASN HD22 . . 5.500 4.838 4.506 5.241 . 0 0 "[ . 1 . 2]" 1
966 1 42 LEU QD 1 81 ARG H . . 5.110 2.885 2.456 3.149 . 0 0 "[ . 1 . 2]" 1
967 1 42 LEU QD 1 81 ARG HA . . 4.220 2.915 2.463 3.209 . 0 0 "[ . 1 . 2]" 1
968 1 42 LEU QD 1 81 ARG HB2 . . 5.450 3.468 2.812 3.701 . 0 0 "[ . 1 . 2]" 1
969 1 42 LEU QD 1 81 ARG HB3 . . 5.500 2.228 1.995 3.915 . 0 0 "[ . 1 . 2]" 1
970 1 42 LEU QD 1 81 ARG QD . . 5.500 4.257 3.854 4.590 . 0 0 "[ . 1 . 2]" 1
971 1 42 LEU QD 1 82 ALA MB . . 5.500 5.431 5.256 5.496 . 0 0 "[ . 1 . 2]" 1
972 1 42 LEU HG 1 43 LEU QD . . 4.450 4.278 4.010 4.473 0.023 7 0 "[ . 1 . 2]" 1
973 1 42 LEU HG 1 80 ASN QB . . 5.250 3.911 2.951 4.628 . 0 0 "[ . 1 . 2]" 1
974 1 43 LEU H 1 43 LEU QB . . 3.130 2.382 2.169 2.653 . 0 0 "[ . 1 . 2]" 1
975 1 43 LEU H 1 43 LEU QD . . 3.470 2.635 2.387 2.874 . 0 0 "[ . 1 . 2]" 1
976 1 43 LEU H 1 44 ALA H . . 3.310 2.554 2.105 2.760 . 0 0 "[ . 1 . 2]" 1
977 1 43 LEU H 1 44 ALA HA . . 4.750 4.750 4.309 4.831 0.081 4 0 "[ . 1 . 2]" 1
978 1 43 LEU H 1 44 ALA MB . . 4.080 4.052 3.570 4.176 0.096 3 0 "[ . 1 . 2]" 1
979 1 43 LEU HA 1 43 LEU QD . . 2.740 2.446 2.116 2.666 . 0 0 "[ . 1 . 2]" 1
980 1 43 LEU QB 1 43 LEU QD . . 2.690 1.987 1.960 2.025 . 0 0 "[ . 1 . 2]" 1
981 1 43 LEU QB 1 44 ALA H . . 3.690 3.562 2.599 3.769 0.079 20 0 "[ . 1 . 2]" 1
982 1 43 LEU QD 1 44 ALA H . . 4.310 4.213 3.930 4.255 . 0 0 "[ . 1 . 2]" 1
983 1 44 ALA H 1 44 ALA MB . . 3.130 2.254 2.185 2.529 . 0 0 "[ . 1 . 2]" 1
984 1 44 ALA H 1 45 LYS H . . 5.070 4.569 4.469 4.685 . 0 0 "[ . 1 . 2]" 1
985 1 44 ALA H 1 50 ALA HA . . 4.850 4.421 4.077 4.621 . 0 0 "[ . 1 . 2]" 1
986 1 44 ALA HA 1 45 LYS H . . 3.270 2.499 2.280 2.923 . 0 0 "[ . 1 . 2]" 1
987 1 44 ALA HA 1 45 LYS QG . . 4.400 3.752 3.307 4.263 . 0 0 "[ . 1 . 2]" 1
988 1 44 ALA HA 1 50 ALA HA . . 5.120 4.472 3.875 4.755 . 0 0 "[ . 1 . 2]" 1
989 1 44 ALA HA 1 50 ALA MB . . 5.020 4.743 4.409 4.985 . 0 0 "[ . 1 . 2]" 1
990 1 44 ALA MB 1 45 LYS H . . 3.640 2.181 1.759 2.512 . 0 0 "[ . 1 . 2]" 1
991 1 44 ALA MB 1 45 LYS QB . . 3.880 3.793 3.416 3.956 0.076 19 0 "[ . 1 . 2]" 1
992 1 44 ALA MB 1 46 ASP H . . 3.760 3.065 2.676 3.822 0.062 10 0 "[ . 1 . 2]" 1
993 1 44 ALA MB 1 49 GLU H . . 4.710 4.609 4.301 4.798 0.088 5 0 "[ . 1 . 2]" 1
994 1 44 ALA MB 1 49 GLU HA . . 5.100 4.693 4.343 5.069 . 0 0 "[ . 1 . 2]" 1
995 1 44 ALA MB 1 49 GLU HB2 . . 4.980 4.667 4.026 5.090 0.110 14 0 "[ . 1 . 2]" 1
996 1 44 ALA MB 1 49 GLU HB3 . . 4.530 3.203 2.444 3.733 . 0 0 "[ . 1 . 2]" 1
997 1 44 ALA MB 1 49 GLU QG . . 3.700 3.280 2.292 3.820 0.120 14 0 "[ . 1 . 2]" 1
998 1 44 ALA MB 1 50 ALA H . . 3.740 3.213 2.963 3.580 . 0 0 "[ . 1 . 2]" 1
999 1 44 ALA MB 1 50 ALA HA . . 3.670 2.039 1.952 2.125 . 0 0 "[ . 1 . 2]" 1
1000 1 44 ALA MB 1 50 ALA MB . . 3.470 2.132 1.963 2.335 . 0 0 "[ . 1 . 2]" 1
1001 1 44 ALA MB 1 51 PHE H . . 5.500 4.691 4.577 4.804 . 0 0 "[ . 1 . 2]" 1
1002 1 44 ALA MB 1 81 ARG QD . . 5.500 4.291 3.638 4.938 . 0 0 "[ . 1 . 2]" 1
1003 1 45 LYS H 1 45 LYS QB . . 3.270 2.391 2.123 2.778 . 0 0 "[ . 1 . 2]" 1
1004 1 45 LYS H 1 45 LYS QD . . 4.670 3.889 2.152 4.588 . 0 0 "[ . 1 . 2]" 1
1005 1 45 LYS H 1 45 LYS QG . . 4.270 2.409 1.849 3.121 . 0 0 "[ . 1 . 2]" 1
1006 1 45 LYS H 1 46 ASP H . . 3.660 2.688 1.972 3.006 . 0 0 "[ . 1 . 2]" 1
1007 1 45 LYS H 1 46 ASP HB2 . . 5.500 5.375 4.802 5.578 0.078 6 0 "[ . 1 . 2]" 1
1008 1 45 LYS H 1 49 GLU HB2 . . 5.330 4.892 4.109 5.378 0.048 14 0 "[ . 1 . 2]" 1
1009 1 45 LYS H 1 49 GLU QG . . 5.110 3.397 2.235 4.286 . 0 0 "[ . 1 . 2]" 1
1010 1 45 LYS HA 1 45 LYS QB . . 2.790 2.405 2.322 2.513 . 0 0 "[ . 1 . 2]" 1
1011 1 45 LYS HA 1 45 LYS QD . . 3.860 2.773 2.129 3.947 0.087 10 0 "[ . 1 . 2]" 1
1012 1 45 LYS HA 1 45 LYS QE . . 4.980 4.071 3.164 4.761 . 0 0 "[ . 1 . 2]" 1
1013 1 45 LYS HA 1 45 LYS QG . . 3.560 2.679 2.275 3.073 . 0 0 "[ . 1 . 2]" 1
1014 1 45 LYS QB 1 45 LYS QD . . 2.960 2.436 2.073 2.797 . 0 0 "[ . 1 . 2]" 1
1015 1 45 LYS QB 1 45 LYS QE . . 3.490 2.679 1.903 3.613 0.123 9 0 "[ . 1 . 2]" 1
1016 1 45 LYS QB 1 46 ASP H . . 3.640 2.273 1.836 2.609 . 0 0 "[ . 1 . 2]" 1
1017 1 45 LYS QB 1 46 ASP HB2 . . 4.840 3.877 3.500 4.273 . 0 0 "[ . 1 . 2]" 1
1018 1 45 LYS QB 1 49 GLU H . . 5.230 4.821 4.324 5.167 . 0 0 "[ . 1 . 2]" 1
1019 1 45 LYS QB 1 49 GLU HB2 . . 3.950 3.683 2.688 4.037 0.087 14 0 "[ . 1 . 2]" 1
1020 1 45 LYS QD 1 46 ASP H . . 5.130 4.873 4.005 5.218 0.088 2 0 "[ . 1 . 2]" 1
1021 1 45 LYS QE 1 45 LYS QG . . 2.980 2.143 1.953 2.352 . 0 0 "[ . 1 . 2]" 1
1022 1 45 LYS QE 1 49 GLU QG . . 5.320 4.686 2.074 5.441 0.121 11 0 "[ . 1 . 2]" 1
1023 1 45 LYS QG 1 46 ASP H . . 4.760 3.974 3.691 4.154 . 0 0 "[ . 1 . 2]" 1
1024 1 45 LYS QG 1 49 GLU QG . . 4.780 3.464 2.580 4.606 . 0 0 "[ . 1 . 2]" 1
1025 1 46 ASP H 1 46 ASP HB2 . . 4.170 2.842 2.647 3.044 . 0 0 "[ . 1 . 2]" 1
1026 1 46 ASP H 1 46 ASP HB3 . . 4.210 3.834 3.676 3.936 . 0 0 "[ . 1 . 2]" 1
1027 1 46 ASP H 1 47 THR H . . 4.790 4.400 4.301 4.536 . 0 0 "[ . 1 . 2]" 1
1028 1 46 ASP H 1 47 THR HA . . 5.400 5.172 4.969 5.465 0.065 7 0 "[ . 1 . 2]" 1
1029 1 46 ASP H 1 48 THR MG . . 5.500 4.737 4.448 5.058 . 0 0 "[ . 1 . 2]" 1
1030 1 46 ASP H 1 49 GLU H . . 4.600 3.701 3.405 3.987 . 0 0 "[ . 1 . 2]" 1
1031 1 46 ASP H 1 49 GLU HB2 . . 5.300 3.674 3.081 4.546 . 0 0 "[ . 1 . 2]" 1
1032 1 46 ASP H 1 49 GLU HB3 . . 3.910 2.364 1.864 3.230 . 0 0 "[ . 1 . 2]" 1
1033 1 46 ASP H 1 49 GLU QG . . 5.030 3.816 3.021 4.884 . 0 0 "[ . 1 . 2]" 1
1034 1 46 ASP H 1 50 ALA H . . 4.840 3.965 3.397 4.754 . 0 0 "[ . 1 . 2]" 1
1035 1 46 ASP H 1 50 ALA MB . . 5.260 4.240 3.769 4.931 . 0 0 "[ . 1 . 2]" 1
1036 1 46 ASP HA 1 47 THR H . . 3.470 2.546 2.355 2.761 . 0 0 "[ . 1 . 2]" 1
1037 1 46 ASP HA 1 47 THR HA . . 4.640 4.403 4.242 4.568 . 0 0 "[ . 1 . 2]" 1
1038 1 46 ASP HB2 1 47 THR H . . 4.250 3.143 2.939 3.440 . 0 0 "[ . 1 . 2]" 1
1039 1 46 ASP HB2 1 47 THR HA . . 5.430 4.896 4.641 5.149 . 0 0 "[ . 1 . 2]" 1
1040 1 46 ASP HB2 1 47 THR HB . . 4.630 4.581 4.289 4.715 0.085 10 0 "[ . 1 . 2]" 1
1041 1 46 ASP HB2 1 47 THR MG . . 5.330 5.437 5.368 5.454 0.124 15 0 "[ . 1 . 2]" 1
1042 1 46 ASP HB2 1 48 THR H . . 4.740 3.143 2.916 3.315 . 0 0 "[ . 1 . 2]" 1
1043 1 46 ASP HB2 1 49 GLU H . . 4.680 2.553 1.768 2.937 . 0 0 "[ . 1 . 2]" 1
1044 1 46 ASP HB2 1 49 GLU HB3 . . 5.120 3.263 2.756 4.060 . 0 0 "[ . 1 . 2]" 1
1045 1 46 ASP HB3 1 47 THR H . . 3.700 2.228 1.981 2.701 . 0 0 "[ . 1 . 2]" 1
1046 1 46 ASP HB3 1 47 THR HB . . 4.520 3.870 3.354 4.569 0.049 13 0 "[ . 1 . 2]" 1
1047 1 46 ASP HB3 1 48 THR H . . 4.450 3.300 2.824 3.721 . 0 0 "[ . 1 . 2]" 1
1048 1 46 ASP HB3 1 49 GLU H . . 4.770 3.953 3.115 4.359 . 0 0 "[ . 1 . 2]" 1
1049 1 46 ASP HB3 1 49 GLU HB2 . . 5.500 5.028 4.013 5.555 0.055 11 0 "[ . 1 . 2]" 1
1050 1 46 ASP HB3 1 49 GLU HB3 . . 5.500 4.865 4.331 5.559 0.059 7 0 "[ . 1 . 2]" 1
1051 1 47 THR H 1 47 THR HB . . 3.690 2.339 2.080 2.583 . 0 0 "[ . 1 . 2]" 1
1052 1 47 THR H 1 47 THR MG . . 3.840 3.639 3.500 3.757 . 0 0 "[ . 1 . 2]" 1
1053 1 47 THR H 1 48 THR H . . 3.920 2.882 2.651 3.041 . 0 0 "[ . 1 . 2]" 1
1054 1 47 THR H 1 48 THR HA . . 5.320 5.360 5.156 5.406 0.086 18 0 "[ . 1 . 2]" 1
1055 1 47 THR H 1 49 GLU H . . 5.160 4.291 3.909 4.541 . 0 0 "[ . 1 . 2]" 1
1056 1 47 THR HA 1 47 THR MG . . 3.260 2.412 2.165 2.662 . 0 0 "[ . 1 . 2]" 1
1057 1 47 THR HA 1 48 THR HA . . 5.500 4.707 4.594 4.795 . 0 0 "[ . 1 . 2]" 1
1058 1 47 THR HA 1 49 GLU H . . 4.790 4.636 4.408 4.850 0.060 17 0 "[ . 1 . 2]" 1
1059 1 47 THR HA 1 50 ALA H . . 4.600 3.629 3.366 4.045 . 0 0 "[ . 1 . 2]" 1
1060 1 47 THR HA 1 81 ARG QD . . 5.200 2.530 2.032 3.536 . 0 0 "[ . 1 . 2]" 1
1061 1 47 THR HB 1 48 THR H . . 3.700 2.340 2.049 2.543 . 0 0 "[ . 1 . 2]" 1
1062 1 47 THR HB 1 48 THR HA . . 5.470 4.228 3.825 4.576 . 0 0 "[ . 1 . 2]" 1
1063 1 47 THR HB 1 48 THR HB . . 5.260 4.018 3.617 4.649 . 0 0 "[ . 1 . 2]" 1
1064 1 47 THR HB 1 48 THR MG . . 4.240 4.068 3.582 4.335 0.095 13 0 "[ . 1 . 2]" 1
1065 1 47 THR HB 1 49 GLU H . . 4.810 4.843 4.523 4.898 0.088 11 0 "[ . 1 . 2]" 1
1066 1 47 THR MG 1 48 THR H . . 4.100 3.108 2.799 3.309 . 0 0 "[ . 1 . 2]" 1
1067 1 47 THR MG 1 48 THR HA . . 4.810 3.152 2.930 3.437 . 0 0 "[ . 1 . 2]" 1
1068 1 47 THR MG 1 48 THR HB . . 4.440 3.940 3.356 4.349 . 0 0 "[ . 1 . 2]" 1
1069 1 47 THR MG 1 49 GLU H . . 4.850 4.910 4.713 4.958 0.108 5 0 "[ . 1 . 2]" 1
1070 1 47 THR MG 1 50 ALA H . . 4.600 4.587 4.340 4.708 0.108 17 0 "[ . 1 . 2]" 1
1071 1 47 THR MG 1 51 PHE QD . . 3.480 3.504 3.044 3.607 0.127 6 0 "[ . 1 . 2]" 1
1072 1 47 THR MG 1 81 ARG QD . . 4.470 2.967 2.186 3.440 . 0 0 "[ . 1 . 2]" 1
1073 1 47 THR MG 1 81 ARG HG3 . . 4.710 4.554 3.561 4.818 0.108 15 0 "[ . 1 . 2]" 1
1074 1 47 THR MG 1 82 ALA MB . . 4.230 4.154 3.228 4.371 0.141 2 0 "[ . 1 . 2]" 1
1075 1 48 THR H 1 48 THR HB . . 3.700 2.440 2.232 2.758 . 0 0 "[ . 1 . 2]" 1
1076 1 48 THR H 1 48 THR MG . . 3.630 2.178 1.886 2.509 . 0 0 "[ . 1 . 2]" 1
1077 1 48 THR H 1 49 GLU H . . 3.550 2.733 2.577 2.891 . 0 0 "[ . 1 . 2]" 1
1078 1 48 THR H 1 50 ALA H . . 5.170 4.056 3.960 4.185 . 0 0 "[ . 1 . 2]" 1
1079 1 48 THR H 1 50 ALA MB . . 5.260 4.805 4.591 4.988 . 0 0 "[ . 1 . 2]" 1
1080 1 48 THR HA 1 48 THR MG . . 3.620 3.277 3.238 3.304 . 0 0 "[ . 1 . 2]" 1
1081 1 48 THR HA 1 49 GLU H . . 3.490 3.532 3.509 3.553 0.063 1 0 "[ . 1 . 2]" 1
1082 1 48 THR HA 1 49 GLU HA . . 4.860 4.745 4.674 4.855 . 0 0 "[ . 1 . 2]" 1
1083 1 48 THR HA 1 50 ALA H . . 4.560 4.034 3.703 4.394 . 0 0 "[ . 1 . 2]" 1
1084 1 48 THR HA 1 51 PHE QD . . 4.010 2.554 2.132 3.783 . 0 0 "[ . 1 . 2]" 1
1085 1 48 THR HA 1 51 PHE QE . . 4.320 2.359 2.074 2.837 . 0 0 "[ . 1 . 2]" 1
1086 1 48 THR HA 1 52 GLU HG2 . . 5.500 4.504 3.862 5.154 . 0 0 "[ . 1 . 2]" 1
1087 1 48 THR HB 1 49 GLU H . . 4.150 3.910 3.671 4.045 . 0 0 "[ . 1 . 2]" 1
1088 1 48 THR HB 1 51 PHE QE . . 5.070 3.813 3.041 4.570 . 0 0 "[ . 1 . 2]" 1
1089 1 48 THR MG 1 49 GLU H . . 3.520 2.187 1.903 2.358 . 0 0 "[ . 1 . 2]" 1
1090 1 48 THR MG 1 49 GLU HA . . 4.170 3.510 3.208 3.905 . 0 0 "[ . 1 . 2]" 1
1091 1 48 THR MG 1 49 GLU HB2 . . 5.310 2.940 2.629 3.251 . 0 0 "[ . 1 . 2]" 1
1092 1 48 THR MG 1 49 GLU HB3 . . 4.270 3.917 3.478 4.260 . 0 0 "[ . 1 . 2]" 1
1093 1 48 THR MG 1 49 GLU QG . . 5.200 4.527 4.092 4.886 . 0 0 "[ . 1 . 2]" 1
1094 1 48 THR MG 1 50 ALA H . . 4.670 4.324 4.218 4.408 . 0 0 "[ . 1 . 2]" 1
1095 1 48 THR MG 1 52 GLU HB2 . . 5.290 4.769 3.810 5.340 0.050 3 0 "[ . 1 . 2]" 1
1096 1 48 THR MG 1 52 GLU HG2 . . 5.470 4.834 4.157 5.544 0.074 15 0 "[ . 1 . 2]" 1
1097 1 48 THR MG 1 52 GLU HG3 . . 4.530 3.794 2.836 4.412 . 0 0 "[ . 1 . 2]" 1
1098 1 49 GLU H 1 49 GLU HB2 . . 4.140 2.406 2.044 2.797 . 0 0 "[ . 1 . 2]" 1
1099 1 49 GLU H 1 49 GLU HB3 . . 4.100 2.593 2.257 2.844 . 0 0 "[ . 1 . 2]" 1
1100 1 49 GLU H 1 49 GLU QG . . 4.340 4.008 3.909 4.146 . 0 0 "[ . 1 . 2]" 1
1101 1 49 GLU H 1 50 ALA H . . 3.680 2.644 2.356 2.803 . 0 0 "[ . 1 . 2]" 1
1102 1 49 GLU HA 1 51 PHE H . . 5.500 4.656 4.023 5.097 . 0 0 "[ . 1 . 2]" 1
1103 1 49 GLU HA 1 52 GLU H . . 4.040 3.402 3.106 3.624 . 0 0 "[ . 1 . 2]" 1
1104 1 49 GLU HA 1 52 GLU HA . . 4.930 4.993 4.879 5.022 0.092 8 0 "[ . 1 . 2]" 1
1105 1 49 GLU HA 1 52 GLU HB2 . . 4.240 2.129 1.974 2.267 . 0 0 "[ . 1 . 2]" 1
1106 1 49 GLU HA 1 52 GLU HG2 . . 4.500 4.102 3.798 4.597 0.097 13 0 "[ . 1 . 2]" 1
1107 1 49 GLU HA 1 52 GLU HG3 . . 4.480 2.957 2.367 3.914 . 0 0 "[ . 1 . 2]" 1
1108 1 49 GLU HB3 1 50 ALA H . . 3.770 3.259 2.668 3.830 0.060 14 0 "[ . 1 . 2]" 1
1109 1 49 GLU HB3 1 50 ALA HA . . 5.500 4.566 4.179 5.059 . 0 0 "[ . 1 . 2]" 1
1110 1 49 GLU QG 1 50 ALA H . . 4.780 4.260 3.700 4.655 . 0 0 "[ . 1 . 2]" 1
1111 1 49 GLU QG 1 50 ALA HA . . 5.500 4.397 3.739 4.754 . 0 0 "[ . 1 . 2]" 1
1112 1 49 GLU QG 1 53 LYS QE . . 4.900 3.568 2.531 4.488 . 0 0 "[ . 1 . 2]" 1
1113 1 50 ALA H 1 50 ALA MB . . 3.330 2.270 2.205 2.374 . 0 0 "[ . 1 . 2]" 1
1114 1 50 ALA H 1 51 PHE H . . 3.390 2.729 2.384 2.983 . 0 0 "[ . 1 . 2]" 1
1115 1 50 ALA H 1 51 PHE HB3 . . 5.500 5.112 4.744 5.465 . 0 0 "[ . 1 . 2]" 1
1116 1 50 ALA H 1 51 PHE QD . . 5.280 4.219 3.801 4.987 . 0 0 "[ . 1 . 2]" 1
1117 1 50 ALA H 1 52 GLU H . . 5.250 3.827 3.459 4.190 . 0 0 "[ . 1 . 2]" 1
1118 1 50 ALA HA 1 53 LYS H . . 4.900 4.203 3.732 4.712 . 0 0 "[ . 1 . 2]" 1
1119 1 50 ALA HA 1 53 LYS QE . . 5.500 3.486 2.186 4.916 . 0 0 "[ . 1 . 2]" 1
1120 1 50 ALA HA 1 53 LYS QG . . 5.500 3.209 2.651 4.114 . 0 0 "[ . 1 . 2]" 1
1121 1 50 ALA HA 1 54 MET ME . . 5.500 5.060 4.677 5.571 0.071 6 0 "[ . 1 . 2]" 1
1122 1 50 ALA MB 1 51 PHE H . . 3.480 2.275 2.007 2.767 . 0 0 "[ . 1 . 2]" 1
1123 1 50 ALA MB 1 51 PHE HA . . 4.810 3.746 3.515 4.007 . 0 0 "[ . 1 . 2]" 1
1124 1 50 ALA MB 1 51 PHE HB3 . . 5.500 3.520 3.203 3.877 . 0 0 "[ . 1 . 2]" 1
1125 1 50 ALA MB 1 51 PHE QD . . 4.240 3.836 3.345 4.094 . 0 0 "[ . 1 . 2]" 1
1126 1 50 ALA MB 1 52 GLU H . . 4.760 4.311 4.146 4.592 . 0 0 "[ . 1 . 2]" 1
1127 1 50 ALA MB 1 53 LYS QG . . 5.380 4.354 4.042 4.848 . 0 0 "[ . 1 . 2]" 1
1128 1 50 ALA MB 1 54 MET ME . . 4.420 3.719 3.379 4.152 . 0 0 "[ . 1 . 2]" 1
1129 1 50 ALA MB 1 78 LEU QD . . 4.270 3.579 2.823 4.300 0.030 6 0 "[ . 1 . 2]" 1
1130 1 50 ALA MB 1 81 ARG QD . . 4.430 2.287 1.956 2.681 . 0 0 "[ . 1 . 2]" 1
1131 1 51 PHE H 1 51 PHE HB2 . . 4.080 3.664 3.549 3.817 . 0 0 "[ . 1 . 2]" 1
1132 1 51 PHE H 1 51 PHE HB3 . . 3.820 2.507 2.292 2.807 . 0 0 "[ . 1 . 2]" 1
1133 1 51 PHE H 1 51 PHE QD . . 4.410 2.427 2.176 2.989 . 0 0 "[ . 1 . 2]" 1
1134 1 51 PHE H 1 51 PHE QE . . 4.990 4.530 4.120 4.731 . 0 0 "[ . 1 . 2]" 1
1135 1 51 PHE H 1 52 GLU HA . . 5.280 5.152 4.830 5.291 0.011 3 0 "[ . 1 . 2]" 1
1136 1 51 PHE H 1 53 LYS QG . . 5.480 4.911 4.389 5.368 . 0 0 "[ . 1 . 2]" 1
1137 1 51 PHE H 1 54 MET H . . 5.500 5.060 4.767 5.327 . 0 0 "[ . 1 . 2]" 1
1138 1 51 PHE H 1 54 MET ME . . 4.110 3.965 3.661 4.196 0.086 6 0 "[ . 1 . 2]" 1
1139 1 51 PHE HA 1 51 PHE QD . . 3.930 3.704 3.646 3.760 . 0 0 "[ . 1 . 2]" 1
1140 1 51 PHE HA 1 53 LYS H . . 5.340 3.697 3.448 4.131 . 0 0 "[ . 1 . 2]" 1
1141 1 51 PHE HA 1 53 LYS QG . . 5.500 4.209 3.754 4.909 . 0 0 "[ . 1 . 2]" 1
1142 1 51 PHE HA 1 54 MET H . . 4.210 2.821 2.648 3.047 . 0 0 "[ . 1 . 2]" 1
1143 1 51 PHE HA 1 54 MET HB2 . . 4.680 4.370 2.997 5.030 0.350 14 0 "[ . 1 . 2]" 1
1144 1 51 PHE HA 1 54 MET HB3 . . 5.080 3.077 2.131 3.682 . 0 0 "[ . 1 . 2]" 1
1145 1 51 PHE HA 1 54 MET ME . . 4.770 2.069 1.977 2.145 . 0 0 "[ . 1 . 2]" 1
1146 1 51 PHE HA 1 54 MET QG . . 4.430 2.530 1.993 4.432 0.002 6 0 "[ . 1 . 2]" 1
1147 1 51 PHE HA 1 55 VAL QG . . 4.390 3.882 3.562 4.087 . 0 0 "[ . 1 . 2]" 1
1148 1 51 PHE HA 1 78 LEU QD . . 5.500 3.755 3.316 4.199 . 0 0 "[ . 1 . 2]" 1
1149 1 51 PHE HB2 1 52 GLU H . . 5.500 4.339 4.110 4.480 . 0 0 "[ . 1 . 2]" 1
1150 1 51 PHE HB2 1 54 MET ME . . 3.970 2.327 2.174 2.969 . 0 0 "[ . 1 . 2]" 1
1151 1 51 PHE HB2 1 78 LEU QD . . 4.600 2.584 2.226 2.996 . 0 0 "[ . 1 . 2]" 1
1152 1 51 PHE HB3 1 52 GLU H . . 4.190 4.113 3.940 4.261 0.071 18 0 "[ . 1 . 2]" 1
1153 1 51 PHE QD 1 52 GLU H . . 5.330 3.119 2.618 3.552 . 0 0 "[ . 1 . 2]" 1
1154 1 51 PHE QD 1 52 GLU HA . . 4.910 4.094 2.864 4.469 . 0 0 "[ . 1 . 2]" 1
1155 1 51 PHE QD 1 54 MET H . . 5.500 5.159 4.911 5.451 . 0 0 "[ . 1 . 2]" 1
1156 1 51 PHE QD 1 54 MET ME . . 3.870 3.956 3.844 3.991 0.121 13 0 "[ . 1 . 2]" 1
1157 1 51 PHE QD 1 54 MET QG . . 5.500 3.627 3.098 5.017 . 0 0 "[ . 1 . 2]" 1
1158 1 51 PHE QD 1 55 VAL QG . . 3.480 2.303 2.028 2.622 . 0 0 "[ . 1 . 2]" 1
1159 1 51 PHE QD 1 78 LEU QD . . 4.680 2.830 2.110 3.171 . 0 0 "[ . 1 . 2]" 1
1160 1 51 PHE QE 1 52 GLU HA . . 4.570 4.427 3.783 4.655 0.085 3 0 "[ . 1 . 2]" 1
1161 1 51 PHE QE 1 52 GLU HB2 . . 5.500 5.341 4.786 5.586 0.086 13 0 "[ . 1 . 2]" 1
1162 1 51 PHE QE 1 52 GLU HG2 . . 4.410 3.519 3.014 4.101 . 0 0 "[ . 1 . 2]" 1
1163 1 51 PHE QE 1 52 GLU HG3 . . 4.380 4.380 3.862 4.476 0.096 6 0 "[ . 1 . 2]" 1
1164 1 51 PHE QE 1 55 VAL HB . . 5.500 5.083 4.218 5.585 0.085 6 0 "[ . 1 . 2]" 1
1165 1 51 PHE QE 1 55 VAL QG . . 3.640 2.887 2.395 3.657 0.017 18 0 "[ . 1 . 2]" 1
1166 1 51 PHE QE 1 78 LEU QD . . 4.450 4.063 3.673 4.190 . 0 0 "[ . 1 . 2]" 1
1167 1 51 PHE HZ 1 52 GLU HG2 . . 4.790 4.352 3.630 4.861 0.071 18 0 "[ . 1 . 2]" 1
1168 1 52 GLU H 1 52 GLU HB2 . . 3.860 2.221 1.989 2.345 . 0 0 "[ . 1 . 2]" 1
1169 1 52 GLU H 1 52 GLU HB3 . . 3.510 3.501 3.308 3.557 0.047 2 0 "[ . 1 . 2]" 1
1170 1 52 GLU H 1 52 GLU HG2 . . 4.050 2.878 2.497 3.423 . 0 0 "[ . 1 . 2]" 1
1171 1 52 GLU H 1 52 GLU HG3 . . 3.870 3.342 2.528 3.805 . 0 0 "[ . 1 . 2]" 1
1172 1 52 GLU H 1 53 LYS H . . 4.350 2.968 2.862 3.065 . 0 0 "[ . 1 . 2]" 1
1173 1 52 GLU H 1 53 LYS QG . . 5.500 4.369 4.031 4.750 . 0 0 "[ . 1 . 2]" 1
1174 1 52 GLU H 1 54 MET H . . 4.920 4.336 4.134 4.466 . 0 0 "[ . 1 . 2]" 1
1175 1 52 GLU HA 1 52 GLU HG2 . . 3.680 2.331 2.081 2.709 . 0 0 "[ . 1 . 2]" 1
1176 1 52 GLU HA 1 52 GLU HG3 . . 4.100 3.515 2.998 3.671 . 0 0 "[ . 1 . 2]" 1
1177 1 52 GLU HA 1 54 MET H . . 4.520 4.459 4.018 4.592 0.072 18 0 "[ . 1 . 2]" 1
1178 1 52 GLU HA 1 55 VAL QG . . 4.620 2.955 1.925 3.769 . 0 0 "[ . 1 . 2]" 1
1179 1 52 GLU HB2 1 53 LYS H . . 3.550 3.131 2.559 3.587 0.037 14 0 "[ . 1 . 2]" 1
1180 1 52 GLU HB2 1 54 MET H . . 5.500 5.316 5.033 5.577 0.077 14 0 "[ . 1 . 2]" 1
1181 1 53 LYS H 1 53 LYS HD2 . . 4.830 4.541 4.324 4.783 . 0 0 "[ . 1 . 2]" 1
1182 1 53 LYS H 1 53 LYS HD3 . . 4.870 4.713 4.368 4.938 0.068 14 0 "[ . 1 . 2]" 1
1183 1 53 LYS H 1 53 LYS QE . . 5.020 4.037 2.678 4.841 . 0 0 "[ . 1 . 2]" 1
1184 1 53 LYS H 1 53 LYS QG . . 4.530 2.127 1.907 2.409 . 0 0 "[ . 1 . 2]" 1
1185 1 53 LYS H 1 54 MET H . . 3.840 2.492 2.244 2.866 . 0 0 "[ . 1 . 2]" 1
1186 1 53 LYS HA 1 53 LYS HD3 . . 4.850 4.533 4.009 4.746 . 0 0 "[ . 1 . 2]" 1
1187 1 53 LYS HB2 1 53 LYS HD2 . . 3.490 3.376 2.657 3.799 0.309 6 0 "[ . 1 . 2]" 1
1188 1 53 LYS HB2 1 54 MET H . . 5.500 3.763 2.669 4.409 . 0 0 "[ . 1 . 2]" 1
1189 1 53 LYS HB3 1 54 MET H . . 5.500 4.252 3.862 4.496 . 0 0 "[ . 1 . 2]" 1
1190 1 53 LYS QG 1 54 MET H . . 5.240 2.926 2.441 4.073 . 0 0 "[ . 1 . 2]" 1
1191 1 54 MET H 1 54 MET HB2 . . 4.000 3.536 2.575 3.768 . 0 0 "[ . 1 . 2]" 1
1192 1 54 MET H 1 54 MET HB3 . . 3.780 2.490 2.112 2.756 . 0 0 "[ . 1 . 2]" 1
1193 1 54 MET H 1 54 MET ME . . 3.650 3.647 3.457 3.755 0.105 20 0 "[ . 1 . 2]" 1
1194 1 54 MET H 1 54 MET QG . . 4.050 2.807 2.371 3.885 . 0 0 "[ . 1 . 2]" 1
1195 1 54 MET H 1 55 VAL QG . . 4.860 3.685 3.105 4.117 . 0 0 "[ . 1 . 2]" 1
1196 1 54 MET H 1 56 SER H . . 5.500 3.917 3.742 4.186 . 0 0 "[ . 1 . 2]" 1
1197 1 54 MET HA 1 54 MET QG . . 3.940 3.281 2.625 3.421 . 0 0 "[ . 1 . 2]" 1
1198 1 54 MET HA 1 55 VAL HA . . 5.370 4.802 4.678 4.938 . 0 0 "[ . 1 . 2]" 1
1199 1 54 MET HA 1 55 VAL QG . . 5.500 4.586 4.275 4.764 . 0 0 "[ . 1 . 2]" 1
1200 1 54 MET HA 1 56 SER H . . 5.500 3.790 3.431 4.231 . 0 0 "[ . 1 . 2]" 1
1201 1 54 MET HA 1 57 LEU H . . 4.510 3.553 3.058 4.070 . 0 0 "[ . 1 . 2]" 1
1202 1 54 MET HA 1 57 LEU HB2 . . 5.390 4.411 3.329 5.467 0.077 5 0 "[ . 1 . 2]" 1
1203 1 54 MET HA 1 57 LEU QD . . 3.810 2.798 2.054 3.405 . 0 0 "[ . 1 . 2]" 1
1204 1 54 MET HA 1 57 LEU HG . . 5.500 3.967 2.192 5.525 0.025 10 0 "[ . 1 . 2]" 1
1205 1 54 MET HA 1 58 LEU H . . 5.190 4.384 3.942 4.866 . 0 0 "[ . 1 . 2]" 1
1206 1 54 MET HB2 1 54 MET ME . . 3.040 2.963 2.010 3.297 0.257 12 0 "[ . 1 . 2]" 1
1207 1 54 MET HB2 1 55 VAL H . . 4.390 4.029 3.843 4.174 . 0 0 "[ . 1 . 2]" 1
1208 1 54 MET HB2 1 55 VAL QG . . 4.720 4.415 4.289 4.563 . 0 0 "[ . 1 . 2]" 1
1209 1 54 MET HB3 1 54 MET ME . . 3.230 2.149 2.087 2.308 . 0 0 "[ . 1 . 2]" 1
1210 1 54 MET HB3 1 55 VAL QG . . 4.930 4.275 3.091 4.615 . 0 0 "[ . 1 . 2]" 1
1211 1 54 MET ME 1 54 MET QG . . 3.190 2.432 2.231 2.654 . 0 0 "[ . 1 . 2]" 1
1212 1 54 MET ME 1 55 VAL H . . 5.500 4.585 4.350 4.723 . 0 0 "[ . 1 . 2]" 1
1213 1 54 MET ME 1 55 VAL QG . . 4.120 4.097 3.922 4.183 0.063 12 0 "[ . 1 . 2]" 1
1214 1 54 MET ME 1 74 CYS HA . . 3.540 3.305 2.926 3.604 0.064 9 0 "[ . 1 . 2]" 1
1215 1 54 MET ME 1 77 MET HG2 . . 3.430 2.970 2.689 3.246 . 0 0 "[ . 1 . 2]" 1
1216 1 54 MET ME 1 77 MET HG3 . . 4.090 2.128 1.943 2.342 . 0 0 "[ . 1 . 2]" 1
1217 1 54 MET ME 1 78 LEU H . . 3.920 2.977 2.652 3.783 . 0 0 "[ . 1 . 2]" 1
1218 1 54 MET ME 1 78 LEU HB2 . . 5.480 2.456 1.997 3.638 . 0 0 "[ . 1 . 2]" 1
1219 1 54 MET ME 1 78 LEU QD . . 3.330 2.447 2.024 2.822 . 0 0 "[ . 1 . 2]" 1
1220 1 54 MET QG 1 55 VAL H . . 3.770 2.514 2.315 3.172 . 0 0 "[ . 1 . 2]" 1
1221 1 54 MET QG 1 55 VAL HA . . 4.970 3.253 2.941 3.411 . 0 0 "[ . 1 . 2]" 1
1222 1 54 MET QG 1 55 VAL QG . . 4.070 2.372 2.136 3.217 . 0 0 "[ . 1 . 2]" 1
1223 1 54 MET QG 1 56 SER H . . 5.500 4.469 4.260 4.771 . 0 0 "[ . 1 . 2]" 1
1224 1 54 MET QG 1 57 LEU H . . 5.320 4.938 4.709 5.213 . 0 0 "[ . 1 . 2]" 1
1225 1 54 MET QG 1 58 LEU H . . 5.130 4.946 4.221 5.226 0.096 16 0 "[ . 1 . 2]" 1
1226 1 54 MET QG 1 58 LEU QD . . 4.130 3.306 2.648 3.899 . 0 0 "[ . 1 . 2]" 1
1227 1 54 MET QG 1 77 MET ME . . 3.770 3.117 1.894 3.476 . 0 0 "[ . 1 . 2]" 1
1228 1 54 MET QG 1 78 LEU QD . . 4.800 3.812 3.469 4.304 . 0 0 "[ . 1 . 2]" 1
1229 1 55 VAL H 1 55 VAL HB . . 3.860 2.832 2.292 3.542 . 0 0 "[ . 1 . 2]" 1
1230 1 55 VAL H 1 55 VAL QG . . 3.290 2.000 1.740 2.179 . 0 0 "[ . 1 . 2]" 1
1231 1 55 VAL H 1 56 SER H . . 3.670 2.651 2.534 2.762 . 0 0 "[ . 1 . 2]" 1
1232 1 55 VAL H 1 56 SER HA . . 5.490 5.314 5.210 5.414 . 0 0 "[ . 1 . 2]" 1
1233 1 55 VAL HA 1 56 SER HA . . 5.500 4.681 4.507 4.783 . 0 0 "[ . 1 . 2]" 1
1234 1 55 VAL HA 1 57 LEU H . . 5.020 3.782 3.213 4.529 . 0 0 "[ . 1 . 2]" 1
1235 1 55 VAL HA 1 57 LEU QD . . 5.020 4.679 4.330 5.001 . 0 0 "[ . 1 . 2]" 1
1236 1 55 VAL HA 1 58 LEU H . . 4.410 3.782 3.320 4.163 . 0 0 "[ . 1 . 2]" 1
1237 1 55 VAL HA 1 58 LEU HB2 . . 5.470 5.272 4.806 5.822 0.352 6 0 "[ . 1 . 2]" 1
1238 1 55 VAL HA 1 58 LEU QD . . 3.600 2.103 1.895 2.650 . 0 0 "[ . 1 . 2]" 1
1239 1 55 VAL HA 1 58 LEU HG . . 5.190 3.564 2.042 4.891 . 0 0 "[ . 1 . 2]" 1
1240 1 55 VAL HA 1 59 SER H . . 5.500 5.426 4.931 5.585 0.085 15 0 "[ . 1 . 2]" 1
1241 1 55 VAL HA 1 59 SER QB . . 5.500 5.374 4.955 5.591 0.091 5 0 "[ . 1 . 2]" 1
1242 1 55 VAL HB 1 56 SER H . . 3.760 3.549 3.117 3.858 0.098 16 0 "[ . 1 . 2]" 1
1243 1 55 VAL HB 1 56 SER HA . . 5.300 4.805 4.460 5.064 . 0 0 "[ . 1 . 2]" 1
1244 1 55 VAL HB 1 56 SER QB . . 5.500 5.066 4.512 5.311 . 0 0 "[ . 1 . 2]" 1
1245 1 55 VAL HB 1 58 LEU QD . . 5.400 3.800 3.218 4.514 . 0 0 "[ . 1 . 2]" 1
1246 1 55 VAL QG 1 56 SER H . . 3.990 3.181 2.269 3.666 . 0 0 "[ . 1 . 2]" 1
1247 1 55 VAL QG 1 56 SER HA . . 4.060 3.893 3.621 4.063 0.003 15 0 "[ . 1 . 2]" 1
1248 1 55 VAL QG 1 58 LEU QD . . 3.750 2.573 2.085 3.159 . 0 0 "[ . 1 . 2]" 1
1249 1 55 VAL QG 1 78 LEU QD . . 4.240 4.024 3.717 4.167 . 0 0 "[ . 1 . 2]" 1
1250 1 56 SER H 1 56 SER QB . . 3.820 2.334 2.026 2.817 . 0 0 "[ . 1 . 2]" 1
1251 1 56 SER H 1 57 LEU H . . 4.090 2.599 2.201 2.932 . 0 0 "[ . 1 . 2]" 1
1252 1 56 SER H 1 58 LEU QD . . 5.500 3.923 3.375 4.572 . 0 0 "[ . 1 . 2]" 1
1253 1 56 SER HA 1 59 SER H . . 4.990 4.596 4.082 5.071 0.081 5 0 "[ . 1 . 2]" 1
1254 1 56 SER QB 1 57 LEU H . . 3.960 3.488 2.563 3.776 . 0 0 "[ . 1 . 2]" 1
1255 1 57 LEU H 1 57 LEU HB2 . . 3.710 3.500 2.562 3.813 0.103 19 0 "[ . 1 . 2]" 1
1256 1 57 LEU H 1 57 LEU HB3 . . 3.720 2.747 2.146 3.446 . 0 0 "[ . 1 . 2]" 1
1257 1 57 LEU H 1 57 LEU QD . . 3.670 3.185 2.746 3.586 . 0 0 "[ . 1 . 2]" 1
1258 1 57 LEU H 1 57 LEU HG . . 4.440 3.573 2.119 4.497 0.057 3 0 "[ . 1 . 2]" 1
1259 1 57 LEU H 1 58 LEU H . . 3.750 2.199 1.774 2.933 . 0 0 "[ . 1 . 2]" 1
1260 1 57 LEU H 1 58 LEU HB3 . . 5.500 4.423 3.615 5.574 0.074 11 0 "[ . 1 . 2]" 1
1261 1 57 LEU H 1 58 LEU QD . . 4.170 3.092 2.385 4.115 . 0 0 "[ . 1 . 2]" 1
1262 1 57 LEU H 1 58 LEU HG . . 5.120 4.610 3.095 5.219 0.099 19 0 "[ . 1 . 2]" 1
1263 1 57 LEU HA 1 57 LEU QD . . 3.740 3.274 2.356 3.461 . 0 0 "[ . 1 . 2]" 1
1264 1 57 LEU HA 1 58 LEU HA . . 4.830 4.793 4.673 4.887 0.057 17 0 "[ . 1 . 2]" 1
1265 1 57 LEU HA 1 58 LEU QD . . 5.500 4.585 4.081 5.121 . 0 0 "[ . 1 . 2]" 1
1266 1 57 LEU HA 1 60 VAL HB . . 4.240 3.650 2.885 4.308 0.068 13 0 "[ . 1 . 2]" 1
1267 1 57 LEU HA 1 60 VAL QG . . 3.240 2.090 1.855 2.635 . 0 0 "[ . 1 . 2]" 1
1268 1 57 LEU HA 1 61 LEU H . . 5.500 4.511 3.941 5.091 . 0 0 "[ . 1 . 2]" 1
1269 1 57 LEU HA 1 61 LEU QD . . 5.500 3.573 3.049 3.980 . 0 0 "[ . 1 . 2]" 1
1270 1 57 LEU HB2 1 58 LEU H . . 5.500 3.968 3.533 4.219 . 0 0 "[ . 1 . 2]" 1
1271 1 57 LEU HB2 1 58 LEU QD . . 5.500 5.249 4.701 5.834 0.334 9 0 "[ . 1 . 2]" 1
1272 1 57 LEU HB2 1 61 LEU QD . . 4.500 3.374 2.122 4.615 0.115 20 0 "[ . 1 . 2]" 1
1273 1 57 LEU QD 1 58 LEU H . . 4.300 2.212 1.863 2.637 . 0 0 "[ . 1 . 2]" 1
1274 1 57 LEU QD 1 58 LEU HA . . 3.890 2.652 2.137 3.055 . 0 0 "[ . 1 . 2]" 1
1275 1 57 LEU QD 1 58 LEU HB3 . . 3.590 2.486 2.105 3.077 . 0 0 "[ . 1 . 2]" 1
1276 1 57 LEU QD 1 58 LEU QD . . 4.710 3.321 2.708 3.927 . 0 0 "[ . 1 . 2]" 1
1277 1 57 LEU QD 1 58 LEU HG . . 4.590 4.243 3.125 4.647 0.057 7 0 "[ . 1 . 2]" 1
1278 1 57 LEU QD 1 61 LEU QD . . 3.460 2.345 1.888 2.874 . 0 0 "[ . 1 . 2]" 1
1279 1 57 LEU HG 1 58 LEU H . . 4.790 3.432 2.845 4.423 . 0 0 "[ . 1 . 2]" 1
1280 1 57 LEU HG 1 58 LEU HA . . 5.250 4.172 2.631 5.308 0.058 20 0 "[ . 1 . 2]" 1
1281 1 57 LEU HG 1 60 VAL QG . . 4.690 4.239 3.350 4.757 0.067 1 0 "[ . 1 . 2]" 1
1282 1 57 LEU HG 1 61 LEU QD . . 4.430 3.122 1.991 4.431 0.001 16 0 "[ . 1 . 2]" 1
1283 1 58 LEU H 1 58 LEU HB3 . . 3.980 2.390 2.037 2.769 . 0 0 "[ . 1 . 2]" 1
1284 1 58 LEU H 1 58 LEU QD . . 3.590 2.283 1.898 2.926 . 0 0 "[ . 1 . 2]" 1
1285 1 58 LEU H 1 58 LEU HG . . 3.780 3.054 1.868 3.844 0.064 7 0 "[ . 1 . 2]" 1
1286 1 58 LEU H 1 61 LEU QD . . 4.890 4.099 3.634 4.370 . 0 0 "[ . 1 . 2]" 1
1287 1 58 LEU H 1 70 ILE MD . . 5.380 4.725 4.244 5.260 . 0 0 "[ . 1 . 2]" 1
1288 1 58 LEU HA 1 58 LEU QD . . 3.870 3.372 3.294 3.479 . 0 0 "[ . 1 . 2]" 1
1289 1 58 LEU HA 1 61 LEU H . . 5.040 4.050 3.438 4.483 . 0 0 "[ . 1 . 2]" 1
1290 1 58 LEU HA 1 61 LEU QB . . 5.500 3.769 2.718 5.070 . 0 0 "[ . 1 . 2]" 1
1291 1 58 LEU HA 1 61 LEU QD . . 3.920 2.650 2.023 3.346 . 0 0 "[ . 1 . 2]" 1
1292 1 58 LEU HA 1 61 LEU HG . . 5.270 4.883 3.959 5.357 0.087 9 0 "[ . 1 . 2]" 1
1293 1 58 LEU HA 1 62 LEU H . . 4.600 4.402 3.793 4.688 0.088 15 0 "[ . 1 . 2]" 1
1294 1 58 LEU HA 1 62 LEU QD . . 4.200 3.566 2.331 4.137 . 0 0 "[ . 1 . 2]" 1
1295 1 58 LEU HA 1 70 ILE HA . . 5.500 5.439 5.030 5.591 0.091 10 0 "[ . 1 . 2]" 1
1296 1 58 LEU HA 1 70 ILE HB . . 5.500 4.815 4.299 5.523 0.023 15 0 "[ . 1 . 2]" 1
1297 1 58 LEU HA 1 70 ILE MD . . 4.960 2.706 2.235 3.175 . 0 0 "[ . 1 . 2]" 1
1298 1 58 LEU HA 1 70 ILE QG . . 5.460 2.257 1.953 3.490 . 0 0 "[ . 1 . 2]" 1
1299 1 58 LEU HA 1 70 ILE MG . . 3.970 3.708 3.200 4.075 0.105 4 0 "[ . 1 . 2]" 1
1300 1 58 LEU HB2 1 59 SER H . . 4.160 4.229 3.662 4.477 0.317 13 0 "[ . 1 . 2]" 1
1301 1 58 LEU HB3 1 59 SER H . . 4.410 4.289 4.049 4.483 0.073 9 0 "[ . 1 . 2]" 1
1302 1 58 LEU QD 1 59 SER H . . 4.850 2.268 1.707 2.774 . 0 0 "[ . 1 . 2]" 1
1303 1 58 LEU QD 1 59 SER HA . . 3.670 3.469 2.875 3.716 0.046 15 0 "[ . 1 . 2]" 1
1304 1 58 LEU QD 1 59 SER QB . . 3.270 2.279 2.031 2.640 . 0 0 "[ . 1 . 2]" 1
1305 1 58 LEU QD 1 60 VAL QG . . 4.710 4.470 3.973 4.621 . 0 0 "[ . 1 . 2]" 1
1306 1 58 LEU QD 1 70 ILE QG . . 4.960 3.540 3.163 4.339 . 0 0 "[ . 1 . 2]" 1
1307 1 58 LEU QD 1 70 ILE MG . . 4.210 3.051 2.282 3.644 . 0 0 "[ . 1 . 2]" 1
1308 1 58 LEU QD 1 71 ASN HA . . 4.640 3.848 3.147 4.593 . 0 0 "[ . 1 . 2]" 1
1309 1 58 LEU HG 1 59 SER H . . 4.330 3.705 2.871 4.431 0.101 10 0 "[ . 1 . 2]" 1
1310 1 58 LEU HG 1 59 SER HA . . 5.500 4.725 3.377 5.598 0.098 5 0 "[ . 1 . 2]" 1
1311 1 58 LEU HG 1 59 SER QB . . 4.990 3.913 3.186 4.508 . 0 0 "[ . 1 . 2]" 1
1312 1 59 SER H 1 59 SER QB . . 3.560 2.405 2.083 2.726 . 0 0 "[ . 1 . 2]" 1
1313 1 59 SER H 1 60 VAL H . . 3.700 2.118 1.869 2.364 . 0 0 "[ . 1 . 2]" 1
1314 1 59 SER H 1 60 VAL HA . . 4.880 4.776 4.595 4.962 0.082 16 0 "[ . 1 . 2]" 1
1315 1 59 SER H 1 60 VAL HB . . 4.630 4.485 3.928 4.713 0.083 15 0 "[ . 1 . 2]" 1
1316 1 59 SER H 1 60 VAL QG . . 4.100 3.338 2.917 4.082 . 0 0 "[ . 1 . 2]" 1
1317 1 59 SER H 1 61 LEU H . . 5.040 3.780 3.374 4.142 . 0 0 "[ . 1 . 2]" 1
1318 1 59 SER H 1 62 LEU QD . . 5.230 4.623 4.041 4.777 . 0 0 "[ . 1 . 2]" 1
1319 1 59 SER HA 1 60 VAL H . . 3.540 3.540 3.341 3.612 0.072 13 0 "[ . 1 . 2]" 1
1320 1 59 SER HA 1 61 LEU H . . 5.040 4.292 3.494 4.772 . 0 0 "[ . 1 . 2]" 1
1321 1 59 SER HA 1 62 LEU HB2 . . 4.040 2.856 2.487 3.187 . 0 0 "[ . 1 . 2]" 1
1322 1 59 SER HA 1 62 LEU HB3 . . 4.300 4.324 4.149 4.379 0.079 20 0 "[ . 1 . 2]" 1
1323 1 59 SER QB 1 60 VAL H . . 4.470 2.973 2.445 3.650 . 0 0 "[ . 1 . 2]" 1
1324 1 59 SER QB 1 60 VAL HB . . 5.500 4.767 3.923 5.521 0.021 19 0 "[ . 1 . 2]" 1
1325 1 59 SER QB 1 60 VAL QG . . 4.920 3.905 2.819 4.686 . 0 0 "[ . 1 . 2]" 1
1326 1 60 VAL H 1 60 VAL HB . . 3.350 2.623 2.092 2.978 . 0 0 "[ . 1 . 2]" 1
1327 1 60 VAL H 1 60 VAL QG . . 3.020 2.100 1.736 2.561 . 0 0 "[ . 1 . 2]" 1
1328 1 60 VAL H 1 61 LEU H . . 3.770 2.606 2.158 2.995 . 0 0 "[ . 1 . 2]" 1
1329 1 60 VAL H 1 62 LEU HB2 . . 5.500 5.298 4.606 5.566 0.066 20 0 "[ . 1 . 2]" 1
1330 1 60 VAL HA 1 60 VAL QG . . 3.220 2.243 2.158 2.400 . 0 0 "[ . 1 . 2]" 1
1331 1 60 VAL HA 1 61 LEU HA . . 5.500 4.787 4.649 5.009 . 0 0 "[ . 1 . 2]" 1
1332 1 60 VAL HA 1 63 SER H . . 4.750 3.838 3.476 4.579 . 0 0 "[ . 1 . 2]" 1
1333 1 60 VAL HA 1 63 SER QB . . 3.510 3.091 2.585 3.600 0.090 10 0 "[ . 1 . 2]" 1
1334 1 60 VAL HB 1 61 LEU QD . . 4.950 3.937 2.129 4.928 . 0 0 "[ . 1 . 2]" 1
1335 1 60 VAL QG 1 61 LEU H . . 3.590 2.728 2.074 3.240 . 0 0 "[ . 1 . 2]" 1
1336 1 60 VAL QG 1 61 LEU QD . . 4.350 2.620 1.950 3.578 . 0 0 "[ . 1 . 2]" 1
1337 1 60 VAL QG 1 63 SER H . . 5.500 4.588 4.298 5.032 . 0 0 "[ . 1 . 2]" 1
1338 1 61 LEU H 1 61 LEU QD . . 3.700 2.348 1.955 3.241 . 0 0 "[ . 1 . 2]" 1
1339 1 61 LEU H 1 61 LEU HG . . 4.570 3.290 1.946 4.263 . 0 0 "[ . 1 . 2]" 1
1340 1 61 LEU H 1 62 LEU H . . 3.550 2.570 2.126 2.834 . 0 0 "[ . 1 . 2]" 1
1341 1 61 LEU H 1 62 LEU HB2 . . 4.980 4.678 3.829 5.030 0.050 15 0 "[ . 1 . 2]" 1
1342 1 61 LEU H 1 62 LEU QD . . 4.050 4.007 3.609 4.066 0.016 12 0 "[ . 1 . 2]" 1
1343 1 61 LEU H 1 70 ILE MD . . 5.500 4.580 3.940 5.355 . 0 0 "[ . 1 . 2]" 1
1344 1 61 LEU HA 1 61 LEU QD . . 3.250 2.322 1.985 3.082 . 0 0 "[ . 1 . 2]" 1
1345 1 61 LEU HA 1 64 MET QB . . 4.430 3.821 3.193 4.358 . 0 0 "[ . 1 . 2]" 1
1346 1 61 LEU HA 1 64 MET HG2 . . 4.930 2.703 2.163 3.126 . 0 0 "[ . 1 . 2]" 1
1347 1 61 LEU HA 1 64 MET HG3 . . 4.850 3.177 2.404 4.269 . 0 0 "[ . 1 . 2]" 1
1348 1 61 LEU HA 1 65 GLN QE . . 5.500 5.018 4.664 5.340 . 0 0 "[ . 1 . 2]" 1
1349 1 61 LEU QB 1 62 LEU H . . 4.310 2.436 2.126 3.506 . 0 0 "[ . 1 . 2]" 1
1350 1 61 LEU QB 1 62 LEU QD . . 4.320 2.519 2.153 3.848 . 0 0 "[ . 1 . 2]" 1
1351 1 61 LEU QD 1 62 LEU H . . 4.190 3.514 1.916 3.790 . 0 0 "[ . 1 . 2]" 1
1352 1 61 LEU QD 1 62 LEU QD . . 3.850 3.413 1.701 3.740 . 0 0 "[ . 1 . 2]" 1
1353 1 61 LEU QD 1 63 SER H . . 5.500 4.982 3.911 5.246 . 0 0 "[ . 1 . 2]" 1
1354 1 61 LEU QD 1 64 MET ME . . 3.070 3.079 2.806 3.194 0.124 13 0 "[ . 1 . 2]" 1
1355 1 61 LEU QD 1 64 MET HG2 . . 4.460 3.485 2.901 3.978 . 0 0 "[ . 1 . 2]" 1
1356 1 61 LEU QD 1 64 MET HG3 . . 4.690 4.018 3.503 4.591 . 0 0 "[ . 1 . 2]" 1
1357 1 61 LEU QD 1 65 GLN QE . . 4.680 3.504 2.649 4.180 . 0 0 "[ . 1 . 2]" 1
1358 1 61 LEU HG 1 62 LEU H . . 5.500 4.587 3.995 5.222 . 0 0 "[ . 1 . 2]" 1
1359 1 61 LEU HG 1 64 MET ME . . 5.500 5.062 4.005 5.560 0.060 16 0 "[ . 1 . 2]" 1
1360 1 62 LEU H 1 62 LEU HB2 . . 3.880 2.452 2.061 2.727 . 0 0 "[ . 1 . 2]" 1
1361 1 62 LEU H 1 62 LEU HB3 . . 3.550 3.548 3.365 3.623 0.073 9 0 "[ . 1 . 2]" 1
1362 1 62 LEU H 1 62 LEU QD . . 3.760 2.354 2.158 2.588 . 0 0 "[ . 1 . 2]" 1
1363 1 62 LEU H 1 62 LEU HG . . 4.220 2.915 2.009 4.247 0.027 10 0 "[ . 1 . 2]" 1
1364 1 62 LEU H 1 63 SER H . . 4.430 2.722 2.423 2.920 . 0 0 "[ . 1 . 2]" 1
1365 1 62 LEU H 1 63 SER HA . . 5.500 5.356 5.182 5.483 . 0 0 "[ . 1 . 2]" 1
1366 1 62 LEU H 1 67 ALA MB . . 5.500 4.872 4.483 5.460 . 0 0 "[ . 1 . 2]" 1
1367 1 62 LEU HA 1 62 LEU QD . . 3.310 2.177 2.033 2.316 . 0 0 "[ . 1 . 2]" 1
1368 1 62 LEU HA 1 65 GLN H . . 4.430 3.134 2.852 3.459 . 0 0 "[ . 1 . 2]" 1
1369 1 62 LEU HA 1 65 GLN HA . . 5.350 5.359 5.173 5.431 0.081 13 0 "[ . 1 . 2]" 1
1370 1 62 LEU HA 1 65 GLN HB2 . . 5.280 5.351 4.645 5.471 0.191 15 0 "[ . 1 . 2]" 1
1371 1 62 LEU HA 1 65 GLN HB3 . . 5.380 5.048 4.555 5.351 . 0 0 "[ . 1 . 2]" 1
1372 1 62 LEU HA 1 65 GLN HG2 . . 5.120 2.715 2.275 3.533 . 0 0 "[ . 1 . 2]" 1
1373 1 62 LEU HA 1 65 GLN HG3 . . 5.420 3.668 1.996 4.089 . 0 0 "[ . 1 . 2]" 1
1374 1 62 LEU HA 1 66 GLY H . . 4.520 2.394 2.018 2.715 . 0 0 "[ . 1 . 2]" 1
1375 1 62 LEU HA 1 66 GLY HA2 . . 5.500 3.203 2.566 4.043 . 0 0 "[ . 1 . 2]" 1
1376 1 62 LEU HA 1 67 ALA H . . 3.880 2.685 2.367 3.927 0.047 10 0 "[ . 1 . 2]" 1
1377 1 62 LEU HA 1 67 ALA MB . . 3.750 3.753 3.538 3.862 0.112 20 0 "[ . 1 . 2]" 1
1378 1 62 LEU HB3 1 63 SER HA . . 4.540 4.438 4.178 4.595 0.055 15 0 "[ . 1 . 2]" 1
1379 1 62 LEU HB3 1 63 SER QB . . 4.700 4.767 4.623 4.800 0.100 2 0 "[ . 1 . 2]" 1
1380 1 62 LEU HB3 1 67 ALA MB . . 5.500 5.027 4.623 5.436 . 0 0 "[ . 1 . 2]" 1
1381 1 62 LEU QD 1 63 SER H . . 4.880 4.077 3.999 4.187 . 0 0 "[ . 1 . 2]" 1
1382 1 62 LEU QD 1 65 GLN QE . . 5.410 4.656 3.844 4.961 . 0 0 "[ . 1 . 2]" 1
1383 1 62 LEU QD 1 65 GLN HG2 . . 4.750 3.398 3.000 3.913 . 0 0 "[ . 1 . 2]" 1
1384 1 62 LEU QD 1 65 GLN HG3 . . 4.880 3.707 2.984 4.021 . 0 0 "[ . 1 . 2]" 1
1385 1 62 LEU QD 1 66 GLY H . . 4.550 3.750 3.401 4.244 . 0 0 "[ . 1 . 2]" 1
1386 1 62 LEU QD 1 66 GLY HA2 . . 5.500 3.462 2.784 4.100 . 0 0 "[ . 1 . 2]" 1
1387 1 62 LEU QD 1 67 ALA H . . 5.040 2.193 1.865 3.030 . 0 0 "[ . 1 . 2]" 1
1388 1 62 LEU QD 1 67 ALA MB . . 3.860 2.118 1.940 2.426 . 0 0 "[ . 1 . 2]" 1
1389 1 62 LEU QD 1 70 ILE H . . 5.500 3.754 3.462 4.033 . 0 0 "[ . 1 . 2]" 1
1390 1 62 LEU QD 1 70 ILE HB . . 3.470 2.315 2.042 3.065 . 0 0 "[ . 1 . 2]" 1
1391 1 62 LEU QD 1 70 ILE QG . . 4.660 2.297 1.893 2.837 . 0 0 "[ . 1 . 2]" 1
1392 1 62 LEU QD 1 70 ILE MG . . 4.000 1.981 1.833 3.045 . 0 0 "[ . 1 . 2]" 1
1393 1 62 LEU QD 1 71 ASN HD22 . . 5.500 4.498 3.958 5.190 . 0 0 "[ . 1 . 2]" 1
1394 1 62 LEU HG 1 63 SER H . . 5.500 4.631 4.014 5.340 . 0 0 "[ . 1 . 2]" 1
1395 1 63 SER H 1 64 MET H . . 4.030 2.689 2.296 2.869 . 0 0 "[ . 1 . 2]" 1
1396 1 63 SER H 1 64 MET HA . . 5.230 5.245 4.944 5.322 0.092 10 0 "[ . 1 . 2]" 1
1397 1 63 SER H 1 64 MET QB . . 5.500 4.576 4.163 4.989 . 0 0 "[ . 1 . 2]" 1
1398 1 63 SER H 1 64 MET HG2 . . 5.500 5.383 4.821 5.581 0.081 5 0 "[ . 1 . 2]" 1
1399 1 63 SER H 1 64 MET HG3 . . 5.500 5.105 4.731 5.304 . 0 0 "[ . 1 . 2]" 1
1400 1 63 SER HA 1 66 GLY H . . 5.500 4.653 4.374 5.574 0.074 10 0 "[ . 1 . 2]" 1
1401 1 63 SER QB 1 64 MET H . . 4.020 3.387 2.591 3.795 . 0 0 "[ . 1 . 2]" 1
1402 1 63 SER QB 1 64 MET HA . . 4.640 4.633 4.313 4.732 0.092 17 0 "[ . 1 . 2]" 1
1403 1 63 SER QB 1 64 MET QB . . 4.810 4.022 3.648 4.346 . 0 0 "[ . 1 . 2]" 1
1404 1 64 MET H 1 64 MET QB . . 3.500 2.741 2.284 3.103 . 0 0 "[ . 1 . 2]" 1
1405 1 64 MET H 1 64 MET HB3 . . 3.220 2.815 2.312 3.239 0.019 17 0 "[ . 1 . 2]" 1
1406 1 64 MET H 1 64 MET HG2 . . 3.670 3.549 2.683 3.744 0.074 5 0 "[ . 1 . 2]" 1
1407 1 64 MET H 1 64 MET HG3 . . 3.640 2.843 2.645 2.999 . 0 0 "[ . 1 . 2]" 1
1408 1 64 MET HA 1 64 MET HG3 . . 3.630 3.659 3.599 3.708 0.078 15 0 "[ . 1 . 2]" 1
1409 1 64 MET QB 1 65 GLN HA . . 5.390 4.929 4.812 5.055 . 0 0 "[ . 1 . 2]" 1
1410 1 64 MET ME 1 64 MET HG2 . . 3.150 2.502 2.256 2.769 . 0 0 "[ . 1 . 2]" 1
1411 1 64 MET ME 1 64 MET HG3 . . 3.190 2.431 2.173 2.792 . 0 0 "[ . 1 . 2]" 1
1412 1 64 MET ME 1 65 GLN HB2 . . 3.500 3.279 2.738 3.826 0.326 6 0 "[ . 1 . 2]" 1
1413 1 64 MET ME 1 65 GLN QE . . 3.790 2.684 1.828 3.229 . 0 0 "[ . 1 . 2]" 1
1414 1 64 MET HG3 1 65 GLN QE . . 4.920 4.330 3.370 4.648 . 0 0 "[ . 1 . 2]" 1
1415 1 65 GLN H 1 65 GLN HG2 . . 5.020 2.594 2.311 2.884 . 0 0 "[ . 1 . 2]" 1
1416 1 65 GLN H 1 66 GLY HA2 . . 5.500 4.319 4.097 4.581 . 0 0 "[ . 1 . 2]" 1
1417 1 65 GLN H 1 66 GLY HA3 . . 5.050 4.650 4.346 4.919 . 0 0 "[ . 1 . 2]" 1
1418 1 65 GLN HA 1 65 GLN HG2 . . 4.150 3.746 3.645 3.802 . 0 0 "[ . 1 . 2]" 1
1419 1 65 GLN HA 1 66 GLY HA2 . . 5.320 5.296 5.236 5.369 0.049 19 0 "[ . 1 . 2]" 1
1420 1 65 GLN HA 1 66 GLY HA3 . . 4.850 4.617 4.481 4.725 . 0 0 "[ . 1 . 2]" 1
1421 1 65 GLN HB2 1 67 ALA H . . 5.500 4.922 4.471 5.524 0.024 10 0 "[ . 1 . 2]" 1
1422 1 65 GLN HB3 1 66 GLY H . . 5.460 4.245 3.819 4.544 . 0 0 "[ . 1 . 2]" 1
1423 1 65 GLN HB3 1 67 ALA MB . . 5.500 4.962 4.405 5.687 0.187 20 0 "[ . 1 . 2]" 1
1424 1 65 GLN HG2 1 66 GLY H . . 4.530 2.861 1.984 3.608 . 0 0 "[ . 1 . 2]" 1
1425 1 65 GLN HG3 1 66 GLY HA3 . . 5.500 4.721 4.395 5.161 . 0 0 "[ . 1 . 2]" 1
1426 1 65 GLN HG3 1 67 ALA MB . . 5.270 2.445 2.010 3.695 . 0 0 "[ . 1 . 2]" 1
1427 1 66 GLY H 1 67 ALA HA . . 5.500 5.333 4.505 5.558 0.058 18 0 "[ . 1 . 2]" 1
1428 1 66 GLY H 1 67 ALA MB . . 4.530 4.427 3.497 4.618 0.088 2 0 "[ . 1 . 2]" 1
1429 1 66 GLY HA2 1 67 ALA MB . . 5.500 4.423 4.166 4.673 . 0 0 "[ . 1 . 2]" 1
1430 1 66 GLY HA3 1 67 ALA MB . . 5.500 5.012 4.758 5.087 . 0 0 "[ . 1 . 2]" 1
1431 1 67 ALA H 1 67 ALA MB . . 3.520 2.284 2.155 2.527 . 0 0 "[ . 1 . 2]" 1
1432 1 67 ALA HA 1 68 VAL QG . . 5.500 3.379 2.995 4.228 . 0 0 "[ . 1 . 2]" 1
1433 1 67 ALA MB 1 68 VAL H . . 4.720 2.438 2.061 2.852 . 0 0 "[ . 1 . 2]" 1
1434 1 67 ALA MB 1 68 VAL QG . . 3.950 3.606 3.367 3.895 . 0 0 "[ . 1 . 2]" 1
1435 1 67 ALA MB 1 69 ASP H . . 5.150 3.486 3.016 4.251 . 0 0 "[ . 1 . 2]" 1
1436 1 67 ALA MB 1 70 ILE H . . 4.440 3.788 3.365 4.533 0.093 12 0 "[ . 1 . 2]" 1
1437 1 67 ALA MB 1 70 ILE HB . . 4.210 2.970 2.364 4.086 . 0 0 "[ . 1 . 2]" 1
1438 1 68 VAL H 1 68 VAL HB . . 3.690 3.507 2.466 3.740 0.050 9 0 "[ . 1 . 2]" 1
1439 1 68 VAL H 1 68 VAL QG . . 2.980 2.095 1.810 2.534 . 0 0 "[ . 1 . 2]" 1
1440 1 68 VAL H 1 69 ASP H . . 4.200 2.328 1.931 3.011 . 0 0 "[ . 1 . 2]" 1
1441 1 68 VAL HA 1 68 VAL QG . . 3.100 2.174 2.115 2.276 . 0 0 "[ . 1 . 2]" 1
1442 1 68 VAL HA 1 70 ILE H . . 5.090 3.781 3.551 4.030 . 0 0 "[ . 1 . 2]" 1
1443 1 68 VAL HA 1 70 ILE MG . . 5.500 4.276 3.808 5.422 . 0 0 "[ . 1 . 2]" 1
1444 1 68 VAL HB 1 69 ASP H . . 3.980 3.354 2.428 3.734 . 0 0 "[ . 1 . 2]" 1
1445 1 68 VAL HB 1 69 ASP HA . . 4.780 4.247 3.638 4.897 0.117 13 0 "[ . 1 . 2]" 1
1446 1 68 VAL HB 1 69 ASP HB2 . . 5.500 5.213 4.185 5.552 0.052 5 0 "[ . 1 . 2]" 1
1447 1 68 VAL HB 1 70 ILE H . . 5.080 4.933 4.665 5.176 0.096 13 0 "[ . 1 . 2]" 1
1448 1 68 VAL QG 1 69 ASP H . . 3.590 2.047 1.582 2.403 . 0 0 "[ . 1 . 2]" 1
1449 1 68 VAL QG 1 69 ASP HA . . 3.970 3.624 2.649 3.952 . 0 0 "[ . 1 . 2]" 1
1450 1 68 VAL QG 1 69 ASP HB2 . . 4.830 3.328 2.681 3.729 . 0 0 "[ . 1 . 2]" 1
1451 1 68 VAL QG 1 69 ASP HB3 . . 5.030 4.366 3.820 4.777 . 0 0 "[ . 1 . 2]" 1
1452 1 69 ASP H 1 70 ILE H . . 4.300 3.135 2.777 3.369 . 0 0 "[ . 1 . 2]" 1
1453 1 69 ASP H 1 70 ILE HA . . 5.500 4.987 4.469 5.278 . 0 0 "[ . 1 . 2]" 1
1454 1 69 ASP H 1 72 ARG HD3 . . 5.500 4.880 4.620 5.484 . 0 0 "[ . 1 . 2]" 1
1455 1 69 ASP HA 1 70 ILE HA . . 4.650 4.717 4.687 4.737 0.087 13 0 "[ . 1 . 2]" 1
1456 1 69 ASP HA 1 70 ILE MG . . 5.070 4.715 4.428 5.189 0.119 15 0 "[ . 1 . 2]" 1
1457 1 69 ASP HA 1 71 ASN H . . 5.290 3.453 3.161 3.761 . 0 0 "[ . 1 . 2]" 1
1458 1 69 ASP HA 1 71 ASN QB . . 5.450 4.352 3.868 4.903 . 0 0 "[ . 1 . 2]" 1
1459 1 69 ASP HA 1 72 ARG H . . 4.460 3.569 3.413 3.724 . 0 0 "[ . 1 . 2]" 1
1460 1 69 ASP HA 1 72 ARG HA . . 5.500 5.547 5.427 5.593 0.093 13 0 "[ . 1 . 2]" 1
1461 1 69 ASP HA 1 72 ARG HB2 . . 4.970 3.939 3.744 4.360 . 0 0 "[ . 1 . 2]" 1
1462 1 69 ASP HA 1 72 ARG HB3 . . 5.360 5.437 5.409 5.451 0.091 16 0 "[ . 1 . 2]" 1
1463 1 69 ASP HA 1 72 ARG HD2 . . 5.400 3.004 2.235 4.118 . 0 0 "[ . 1 . 2]" 1
1464 1 69 ASP HA 1 72 ARG HD3 . . 4.800 2.330 2.057 2.652 . 0 0 "[ . 1 . 2]" 1
1465 1 69 ASP HA 1 72 ARG HG2 . . 5.260 4.421 2.963 4.832 . 0 0 "[ . 1 . 2]" 1
1466 1 69 ASP HA 1 72 ARG HG3 . . 5.390 5.026 4.349 5.461 0.071 15 0 "[ . 1 . 2]" 1
1467 1 69 ASP HB2 1 70 ILE H . . 5.110 4.167 3.896 4.325 . 0 0 "[ . 1 . 2]" 1
1468 1 69 ASP HB2 1 70 ILE HA . . 5.060 4.867 4.564 5.141 0.081 15 0 "[ . 1 . 2]" 1
1469 1 69 ASP HB2 1 72 ARG H . . 5.350 5.174 4.788 5.374 0.024 18 0 "[ . 1 . 2]" 1
1470 1 69 ASP HB2 1 72 ARG HD3 . . 5.280 4.077 3.678 5.116 . 0 0 "[ . 1 . 2]" 1
1471 1 69 ASP HB3 1 70 ILE H . . 4.950 4.431 4.242 4.518 . 0 0 "[ . 1 . 2]" 1
1472 1 69 ASP HB3 1 70 ILE HA . . 5.290 4.784 4.398 5.007 . 0 0 "[ . 1 . 2]" 1
1473 1 69 ASP HB3 1 72 ARG HD3 . . 5.320 2.694 2.113 3.842 . 0 0 "[ . 1 . 2]" 1
1474 1 70 ILE H 1 70 ILE HB . . 3.670 2.368 2.069 2.602 . 0 0 "[ . 1 . 2]" 1
1475 1 70 ILE H 1 70 ILE MD . . 4.330 4.021 3.742 4.253 . 0 0 "[ . 1 . 2]" 1
1476 1 70 ILE H 1 70 ILE QG . . 4.200 4.041 2.628 4.214 0.014 13 0 "[ . 1 . 2]" 1
1477 1 70 ILE H 1 70 ILE MG . . 3.690 2.421 2.152 3.485 . 0 0 "[ . 1 . 2]" 1
1478 1 70 ILE H 1 71 ASN QB . . 4.310 4.399 4.380 4.412 0.102 15 0 "[ . 1 . 2]" 1
1479 1 70 ILE H 1 72 ARG HD3 . . 5.170 4.934 4.273 5.249 0.079 8 0 "[ . 1 . 2]" 1
1480 1 70 ILE HA 1 70 ILE MD . . 3.540 2.136 2.012 2.297 . 0 0 "[ . 1 . 2]" 1
1481 1 70 ILE HA 1 70 ILE MG . . 3.270 3.236 2.814 3.281 0.011 13 0 "[ . 1 . 2]" 1
1482 1 70 ILE HA 1 71 ASN HA . . 4.720 4.710 4.601 4.784 0.064 10 0 "[ . 1 . 2]" 1
1483 1 70 ILE HA 1 71 ASN QB . . 5.500 5.299 5.239 5.417 . 0 0 "[ . 1 . 2]" 1
1484 1 70 ILE HA 1 71 ASN HD21 . . 4.870 4.929 4.760 4.956 0.086 10 0 "[ . 1 . 2]" 1
1485 1 70 ILE HA 1 73 LEU QD . . 3.620 2.310 1.961 2.740 . 0 0 "[ . 1 . 2]" 1
1486 1 70 ILE HB 1 71 ASN H . . 5.500 3.939 2.619 4.203 . 0 0 "[ . 1 . 2]" 1
1487 1 70 ILE HB 1 72 ARG H . . 5.500 5.528 4.898 5.583 0.083 4 0 "[ . 1 . 2]" 1
1488 1 70 ILE MD 1 70 ILE MG . . 3.650 3.220 2.398 3.299 . 0 0 "[ . 1 . 2]" 1
1489 1 70 ILE MD 1 71 ASN H . . 5.340 4.870 4.751 4.958 . 0 0 "[ . 1 . 2]" 1
1490 1 70 ILE MD 1 71 ASN HA . . 5.500 5.489 5.261 5.598 0.098 2 0 "[ . 1 . 2]" 1
1491 1 70 ILE MG 1 71 ASN H . . 4.000 2.579 2.323 2.948 . 0 0 "[ . 1 . 2]" 1
1492 1 70 ILE MG 1 71 ASN HA . . 4.380 3.413 2.685 3.846 . 0 0 "[ . 1 . 2]" 1
1493 1 70 ILE MG 1 71 ASN QB . . 4.450 3.650 3.228 3.953 . 0 0 "[ . 1 . 2]" 1
1494 1 70 ILE MG 1 71 ASN HD21 . . 5.500 2.155 1.725 2.810 . 0 0 "[ . 1 . 2]" 1
1495 1 70 ILE MG 1 71 ASN HD22 . . 5.500 2.872 2.226 3.291 . 0 0 "[ . 1 . 2]" 1
1496 1 70 ILE MG 1 72 ARG H . . 5.500 4.505 4.298 4.716 . 0 0 "[ . 1 . 2]" 1
1497 1 71 ASN H 1 71 ASN QB . . 3.580 2.231 2.121 2.344 . 0 0 "[ . 1 . 2]" 1
1498 1 71 ASN H 1 71 ASN HD21 . . 5.350 2.683 1.934 3.436 . 0 0 "[ . 1 . 2]" 1
1499 1 71 ASN H 1 71 ASN HD22 . . 5.260 4.116 3.088 4.605 . 0 0 "[ . 1 . 2]" 1
1500 1 71 ASN H 1 72 ARG H . . 3.680 2.537 2.285 2.741 . 0 0 "[ . 1 . 2]" 1
1501 1 71 ASN HA 1 71 ASN HD22 . . 4.770 3.815 3.452 4.380 . 0 0 "[ . 1 . 2]" 1
1502 1 71 ASN HA 1 73 LEU H . . 5.270 4.697 3.800 5.168 . 0 0 "[ . 1 . 2]" 1
1503 1 71 ASN HA 1 73 LEU QD . . 4.740 4.283 3.896 4.566 . 0 0 "[ . 1 . 2]" 1
1504 1 71 ASN HA 1 74 CYS H . . 4.020 3.280 2.987 3.538 . 0 0 "[ . 1 . 2]" 1
1505 1 71 ASN HA 1 74 CYS HA . . 5.230 5.138 4.944 5.312 0.082 15 0 "[ . 1 . 2]" 1
1506 1 71 ASN HA 1 74 CYS HB2 . . 4.380 2.872 2.033 4.847 0.467 9 0 "[ . 1 . 2]" 1
1507 1 71 ASN HA 1 74 CYS HB3 . . 4.760 4.010 3.192 4.277 . 0 0 "[ . 1 . 2]" 1
1508 1 71 ASN HA 1 75 GLU H . . 5.050 4.456 4.051 5.100 0.050 19 0 "[ . 1 . 2]" 1
1509 1 71 ASN HA 1 75 GLU HG3 . . 5.400 4.643 4.066 5.216 . 0 0 "[ . 1 . 2]" 1
1510 1 71 ASN QB 1 71 ASN HD22 . . 3.640 3.479 3.350 3.583 . 0 0 "[ . 1 . 2]" 1
1511 1 71 ASN QB 1 72 ARG H . . 3.530 3.268 2.981 3.510 . 0 0 "[ . 1 . 2]" 1
1512 1 71 ASN QB 1 72 ARG HA . . 4.350 3.957 3.728 4.206 . 0 0 "[ . 1 . 2]" 1
1513 1 71 ASN QB 1 72 ARG HB2 . . 5.410 5.093 4.717 5.496 0.086 18 0 "[ . 1 . 2]" 1
1514 1 71 ASN QB 1 72 ARG HD2 . . 5.310 3.409 2.803 4.167 . 0 0 "[ . 1 . 2]" 1
1515 1 71 ASN QB 1 72 ARG HG3 . . 5.200 5.054 4.689 5.732 0.532 7 1 "[ . + 1 . 2]" 1
1516 1 72 ARG H 1 72 ARG HB2 . . 3.820 2.339 2.179 2.438 . 0 0 "[ . 1 . 2]" 1
1517 1 72 ARG H 1 72 ARG HB3 . . 3.830 3.567 3.406 3.666 . 0 0 "[ . 1 . 2]" 1
1518 1 72 ARG H 1 72 ARG HD2 . . 4.500 2.505 2.021 3.374 . 0 0 "[ . 1 . 2]" 1
1519 1 72 ARG H 1 72 ARG HD3 . . 4.400 3.199 2.164 3.833 . 0 0 "[ . 1 . 2]" 1
1520 1 72 ARG H 1 72 ARG HG2 . . 4.370 4.183 3.163 4.394 0.024 14 0 "[ . 1 . 2]" 1
1521 1 72 ARG H 1 72 ARG HG3 . . 3.990 3.959 3.724 4.080 0.090 7 0 "[ . 1 . 2]" 1
1522 1 72 ARG HA 1 72 ARG HD2 . . 4.010 2.894 2.205 3.468 . 0 0 "[ . 1 . 2]" 1
1523 1 72 ARG HA 1 72 ARG HG2 . . 3.790 3.593 3.503 3.775 . 0 0 "[ . 1 . 2]" 1
1524 1 72 ARG HA 1 72 ARG HG3 . . 3.950 2.352 2.174 3.278 . 0 0 "[ . 1 . 2]" 1
1525 1 72 ARG HA 1 75 GLU QB . . 3.480 3.332 2.951 3.563 0.083 5 0 "[ . 1 . 2]" 1
1526 1 72 ARG HA 1 75 GLU HG3 . . 4.150 4.026 3.321 4.239 0.089 18 0 "[ . 1 . 2]" 1
1527 1 72 ARG HB2 1 72 ARG HD2 . . 3.540 2.877 2.332 3.632 0.092 7 0 "[ . 1 . 2]" 1
1528 1 72 ARG HB2 1 72 ARG HD3 . . 3.630 2.704 2.185 3.161 . 0 0 "[ . 1 . 2]" 1
1529 1 72 ARG HB2 1 73 LEU QD . . 3.620 3.458 2.941 3.679 0.059 9 0 "[ . 1 . 2]" 1
1530 1 72 ARG HD2 1 73 LEU H . . 5.450 4.661 4.229 5.157 . 0 0 "[ . 1 . 2]" 1
1531 1 72 ARG HG3 1 73 LEU H . . 4.890 4.902 4.578 4.972 0.082 7 0 "[ . 1 . 2]" 1
1532 1 73 LEU H 1 73 LEU QD . . 4.610 1.947 1.702 2.384 . 0 0 "[ . 1 . 2]" 1
1533 1 73 LEU H 1 73 LEU HG . . 4.760 2.941 2.531 3.755 . 0 0 "[ . 1 . 2]" 1
1534 1 73 LEU H 1 74 CYS H . . 4.240 2.875 2.649 3.160 . 0 0 "[ . 1 . 2]" 1
1535 1 73 LEU HA 1 73 LEU HG . . 4.010 3.630 2.122 4.087 0.077 6 0 "[ . 1 . 2]" 1
1536 1 73 LEU HB2 1 74 CYS H . . 5.500 3.913 2.410 4.173 . 0 0 "[ . 1 . 2]" 1
1537 1 73 LEU HB3 1 74 CYS H . . 4.440 4.197 2.671 4.420 . 0 0 "[ . 1 . 2]" 1
1538 1 73 LEU QD 1 74 CYS H . . 4.340 3.198 2.313 3.731 . 0 0 "[ . 1 . 2]" 1
1539 1 73 LEU QD 1 77 MET ME . . 2.860 2.015 1.771 2.199 . 0 0 "[ . 1 . 2]" 1
1540 1 73 LEU HG 1 74 CYS H . . 4.470 2.559 2.023 4.552 0.082 9 0 "[ . 1 . 2]" 1
1541 1 73 LEU HG 1 74 CYS HA . . 5.500 3.977 3.525 5.594 0.094 9 0 "[ . 1 . 2]" 1
1542 1 73 LEU HG 1 77 MET ME . . 3.460 2.843 2.191 3.563 0.103 6 0 "[ . 1 . 2]" 1
1543 1 74 CYS H 1 74 CYS HB2 . . 3.810 2.634 2.401 3.656 . 0 0 "[ . 1 . 2]" 1
1544 1 74 CYS H 1 74 CYS HB3 . . 3.890 3.490 2.327 3.650 . 0 0 "[ . 1 . 2]" 1
1545 1 74 CYS H 1 77 MET ME . . 3.420 3.370 3.138 3.522 0.102 9 0 "[ . 1 . 2]" 1
1546 1 74 CYS HA 1 77 MET ME . . 2.970 2.097 1.894 2.639 . 0 0 "[ . 1 . 2]" 1
1547 1 74 CYS HB2 1 75 GLU H . . 4.010 2.769 2.262 3.883 . 0 0 "[ . 1 . 2]" 1
1548 1 74 CYS HB2 1 75 GLU HA . . 5.100 4.441 4.200 4.972 . 0 0 "[ . 1 . 2]" 1
1549 1 74 CYS HB2 1 75 GLU QB . . 5.500 4.571 4.133 5.565 0.065 9 0 "[ . 1 . 2]" 1
1550 1 74 CYS HB2 1 75 GLU HG3 . . 5.320 3.478 2.526 4.810 . 0 0 "[ . 1 . 2]" 1
1551 1 74 CYS HB2 1 77 MET ME . . 5.030 4.256 3.835 4.598 . 0 0 "[ . 1 . 2]" 1
1552 1 74 CYS HB2 1 78 LEU QD . . 4.990 4.600 2.710 4.969 . 0 0 "[ . 1 . 2]" 1
1553 1 74 CYS HB3 1 75 GLU QB . . 5.500 5.340 5.085 5.599 0.099 18 0 "[ . 1 . 2]" 1
1554 1 74 CYS HB3 1 75 GLU HG2 . . 4.630 4.518 3.649 5.372 0.742 9 1 "[ . +1 . 2]" 1
1555 1 74 CYS HB3 1 77 MET ME . . 4.810 3.766 3.325 4.212 . 0 0 "[ . 1 . 2]" 1
1556 1 74 CYS HB3 1 78 LEU HB2 . . 5.500 4.336 3.392 5.417 . 0 0 "[ . 1 . 2]" 1
1557 1 74 CYS HB3 1 78 LEU QD . . 4.900 3.700 2.914 4.863 . 0 0 "[ . 1 . 2]" 1
1558 1 75 GLU H 1 75 GLU QB . . 3.300 2.392 2.222 2.564 . 0 0 "[ . 1 . 2]" 1
1559 1 75 GLU H 1 75 GLU HG2 . . 3.860 3.209 2.373 3.908 0.048 8 0 "[ . 1 . 2]" 1
1560 1 75 GLU H 1 75 GLU HG3 . . 3.470 2.550 2.095 3.335 . 0 0 "[ . 1 . 2]" 1
1561 1 75 GLU HA 1 75 GLU HG2 . . 3.490 2.445 2.191 2.793 . 0 0 "[ . 1 . 2]" 1
1562 1 75 GLU HA 1 75 GLU HG3 . . 3.580 3.287 3.030 3.663 0.083 6 0 "[ . 1 . 2]" 1
1563 1 75 GLU HA 1 78 LEU H . . 4.420 3.895 3.442 4.460 0.040 7 0 "[ . 1 . 2]" 1
1564 1 75 GLU HA 1 78 LEU HB2 . . 4.910 3.746 2.699 4.491 . 0 0 "[ . 1 . 2]" 1
1565 1 75 GLU HA 1 78 LEU HB3 . . 4.770 3.401 2.798 4.186 . 0 0 "[ . 1 . 2]" 1
1566 1 75 GLU HA 1 78 LEU QD . . 4.360 3.712 2.948 4.267 . 0 0 "[ . 1 . 2]" 1
1567 1 75 GLU HA 1 79 ASP HB2 . . 4.950 4.191 3.316 4.744 . 0 0 "[ . 1 . 2]" 1
1568 1 75 GLU HG2 1 78 LEU QD . . 5.340 4.294 4.003 4.832 . 0 0 "[ . 1 . 2]" 1
1569 1 75 GLU HG3 1 78 LEU QD . . 5.480 5.250 4.598 5.479 . 0 0 "[ . 1 . 2]" 1
1570 1 76 GLU H 1 76 GLU HB2 . . 3.400 2.769 2.237 3.796 0.396 4 0 "[ . 1 . 2]" 1
1571 1 76 GLU H 1 78 LEU H . . 5.420 3.699 2.830 4.396 . 0 0 "[ . 1 . 2]" 1
1572 1 76 GLU HA 1 76 GLU HG2 . . 3.720 3.244 2.330 3.809 0.089 15 0 "[ . 1 . 2]" 1
1573 1 76 GLU HA 1 76 GLU HG3 . . 3.780 2.607 2.253 3.638 . 0 0 "[ . 1 . 2]" 1
1574 1 76 GLU HA 1 80 ASN HD22 . . 4.870 3.690 2.841 4.231 . 0 0 "[ . 1 . 2]" 1
1575 1 76 GLU HB3 1 77 MET H . . 3.810 2.351 2.085 3.658 . 0 0 "[ . 1 . 2]" 1
1576 1 76 GLU HB3 1 78 LEU H . . 5.500 4.863 4.467 5.590 0.090 4 0 "[ . 1 . 2]" 1
1577 1 76 GLU HG2 1 80 ASN HD21 . . 4.890 3.663 2.682 5.211 0.321 14 0 "[ . 1 . 2]" 1
1578 1 76 GLU HG2 1 80 ASN HD22 . . 4.950 3.436 1.891 5.010 0.060 4 0 "[ . 1 . 2]" 1
1579 1 76 GLU HG3 1 80 ASN HD21 . . 5.150 3.466 2.488 5.175 0.025 3 0 "[ . 1 . 2]" 1
1580 1 76 GLU HG3 1 80 ASN HD22 . . 4.740 3.027 2.077 4.624 . 0 0 "[ . 1 . 2]" 1
1581 1 77 MET H 1 77 MET HB3 . . 3.760 2.509 2.379 2.661 . 0 0 "[ . 1 . 2]" 1
1582 1 77 MET H 1 77 MET HG2 . . 4.360 2.164 1.992 2.444 . 0 0 "[ . 1 . 2]" 1
1583 1 77 MET H 1 77 MET HG3 . . 4.100 3.567 3.434 3.807 . 0 0 "[ . 1 . 2]" 1
1584 1 77 MET H 1 78 LEU H . . 3.330 2.841 2.668 3.095 . 0 0 "[ . 1 . 2]" 1
1585 1 77 MET HA 1 77 MET HG2 . . 4.200 3.674 3.595 3.738 . 0 0 "[ . 1 . 2]" 1
1586 1 77 MET HA 1 77 MET HG3 . . 4.150 3.849 3.747 3.918 . 0 0 "[ . 1 . 2]" 1
1587 1 77 MET HA 1 80 ASN H . . 4.050 3.219 3.025 3.607 . 0 0 "[ . 1 . 2]" 1
1588 1 77 MET HA 1 80 ASN HA . . 5.200 5.073 4.909 5.241 0.041 19 0 "[ . 1 . 2]" 1
1589 1 77 MET HA 1 80 ASN QB . . 3.930 2.233 2.069 2.594 . 0 0 "[ . 1 . 2]" 1
1590 1 77 MET HB2 1 78 LEU H . . 5.500 4.157 4.006 4.324 . 0 0 "[ . 1 . 2]" 1
1591 1 77 MET HB3 1 78 LEU H . . 5.140 4.258 4.027 4.378 . 0 0 "[ . 1 . 2]" 1
1592 1 77 MET ME 1 77 MET HG3 . . 3.770 2.511 2.269 2.812 . 0 0 "[ . 1 . 2]" 1
1593 1 77 MET ME 1 78 LEU H . . 4.440 4.300 3.952 4.523 0.083 2 0 "[ . 1 . 2]" 1
1594 1 77 MET HG2 1 78 LEU H . . 5.350 2.742 2.264 3.031 . 0 0 "[ . 1 . 2]" 1
1595 1 77 MET HG3 1 78 LEU H . . 5.130 3.206 2.972 3.437 . 0 0 "[ . 1 . 2]" 1
1596 1 77 MET HG3 1 78 LEU QD . . 5.500 4.592 3.961 4.902 . 0 0 "[ . 1 . 2]" 1
1597 1 78 LEU H 1 78 LEU HB2 . . 3.900 2.285 1.975 2.584 . 0 0 "[ . 1 . 2]" 1
1598 1 78 LEU H 1 78 LEU HB3 . . 3.650 2.823 2.402 3.458 . 0 0 "[ . 1 . 2]" 1
1599 1 78 LEU H 1 78 LEU QD . . 4.180 3.678 3.380 3.783 . 0 0 "[ . 1 . 2]" 1
1600 1 78 LEU H 1 79 ASP H . . 3.530 2.578 2.426 2.920 . 0 0 "[ . 1 . 2]" 1
1601 1 78 LEU H 1 79 ASP HA . . 5.500 5.204 5.099 5.443 . 0 0 "[ . 1 . 2]" 1
1602 1 78 LEU H 1 79 ASP HB2 . . 4.710 4.538 4.231 4.768 0.058 13 0 "[ . 1 . 2]" 1
1603 1 78 LEU H 1 80 ASN H . . 4.990 3.914 3.642 4.154 . 0 0 "[ . 1 . 2]" 1
1604 1 78 LEU HA 1 78 LEU QD . . 3.110 2.167 1.990 2.396 . 0 0 "[ . 1 . 2]" 1
1605 1 78 LEU HA 1 78 LEU HG . . 4.000 2.904 2.358 3.447 . 0 0 "[ . 1 . 2]" 1
1606 1 78 LEU HA 1 80 ASN H . . 5.230 4.420 4.036 4.711 . 0 0 "[ . 1 . 2]" 1
1607 1 78 LEU HA 1 81 ARG H . . 4.290 3.748 3.348 4.151 . 0 0 "[ . 1 . 2]" 1
1608 1 78 LEU HA 1 81 ARG HB3 . . 4.640 4.592 3.347 4.727 0.087 19 0 "[ . 1 . 2]" 1
1609 1 78 LEU HA 1 81 ARG QD . . 5.110 4.046 3.047 4.653 . 0 0 "[ . 1 . 2]" 1
1610 1 78 LEU HA 1 81 ARG HG2 . . 5.500 2.984 2.481 4.782 . 0 0 "[ . 1 . 2]" 1
1611 1 78 LEU HB2 1 79 ASP H . . 4.000 3.564 2.722 4.067 0.067 4 0 "[ . 1 . 2]" 1
1612 1 78 LEU HB3 1 79 ASP H . . 3.730 2.772 2.383 3.102 . 0 0 "[ . 1 . 2]" 1
1613 1 78 LEU HB3 1 79 ASP HA . . 4.940 4.124 3.686 4.554 . 0 0 "[ . 1 . 2]" 1
1614 1 78 LEU HB3 1 79 ASP HB2 . . 5.420 4.064 3.867 4.426 . 0 0 "[ . 1 . 2]" 1
1615 1 78 LEU QD 1 79 ASP H . . 5.230 3.980 3.695 4.245 . 0 0 "[ . 1 . 2]" 1
1616 1 78 LEU QD 1 79 ASP HA . . 5.500 4.200 3.621 4.541 . 0 0 "[ . 1 . 2]" 1
1617 1 78 LEU QD 1 79 ASP HB2 . . 5.500 4.917 4.487 5.183 . 0 0 "[ . 1 . 2]" 1
1618 1 78 LEU QD 1 81 ARG H . . 5.500 4.517 4.213 4.904 . 0 0 "[ . 1 . 2]" 1
1619 1 78 LEU QD 1 81 ARG HB2 . . 5.500 5.219 3.257 5.506 0.006 20 0 "[ . 1 . 2]" 1
1620 1 78 LEU QD 1 81 ARG HB3 . . 5.500 4.989 2.936 5.343 . 0 0 "[ . 1 . 2]" 1
1621 1 78 LEU QD 1 81 ARG QD . . 4.670 3.191 2.409 3.932 . 0 0 "[ . 1 . 2]" 1
1622 1 78 LEU QD 1 82 ALA MB . . 5.240 3.463 2.765 3.954 . 0 0 "[ . 1 . 2]" 1
1623 1 78 LEU HG 1 79 ASP H . . 5.500 4.652 3.843 5.280 . 0 0 "[ . 1 . 2]" 1
1624 1 79 ASP H 1 79 ASP HB2 . . 3.070 2.212 2.001 2.436 . 0 0 "[ . 1 . 2]" 1
1625 1 79 ASP H 1 79 ASP HB3 . . 3.250 2.966 2.570 3.328 0.078 2 0 "[ . 1 . 2]" 1
1626 1 79 ASP H 1 80 ASN H . . 3.660 2.457 2.169 2.714 . 0 0 "[ . 1 . 2]" 1
1627 1 79 ASP H 1 80 ASN QB . . 4.830 4.408 3.934 4.711 . 0 0 "[ . 1 . 2]" 1
1628 1 79 ASP HA 1 79 ASP HB2 . . 2.970 2.731 2.468 2.963 . 0 0 "[ . 1 . 2]" 1
1629 1 79 ASP HA 1 80 ASN H . . 3.420 3.485 3.466 3.493 0.073 15 0 "[ . 1 . 2]" 1
1630 1 79 ASP HA 1 81 ARG H . . 4.470 3.976 3.650 4.401 . 0 0 "[ . 1 . 2]" 1
1631 1 79 ASP HA 1 82 ALA H . . 4.560 3.147 2.772 3.582 . 0 0 "[ . 1 . 2]" 1
1632 1 79 ASP HA 1 82 ALA MB . . 3.720 2.289 2.061 2.594 . 0 0 "[ . 1 . 2]" 1
1633 1 79 ASP HA 1 83 THR H . . 5.300 4.161 3.657 5.178 . 0 0 "[ . 1 . 2]" 1
1634 1 79 ASP HB2 1 80 ASN H . . 3.970 3.511 3.107 3.932 . 0 0 "[ . 1 . 2]" 1
1635 1 79 ASP HB2 1 80 ASN HD21 . . 4.490 4.283 3.499 4.554 0.064 19 0 "[ . 1 . 2]" 1
1636 1 79 ASP HB2 1 80 ASN HD22 . . 5.500 5.420 4.566 5.590 0.090 19 0 "[ . 1 . 2]" 1
1637 1 79 ASP HB2 1 82 ALA MB . . 5.380 4.603 4.227 4.911 . 0 0 "[ . 1 . 2]" 1
1638 1 79 ASP HB3 1 80 ASN H . . 3.800 2.929 2.558 3.615 . 0 0 "[ . 1 . 2]" 1
1639 1 79 ASP HB3 1 80 ASN HD21 . . 4.480 3.334 2.679 4.371 . 0 0 "[ . 1 . 2]" 1
1640 1 79 ASP HB3 1 80 ASN HD22 . . 5.330 4.302 3.112 5.392 0.062 2 0 "[ . 1 . 2]" 1
1641 1 79 ASP HB3 1 81 ARG H . . 5.500 5.101 4.829 5.458 . 0 0 "[ . 1 . 2]" 1
1642 1 79 ASP HB3 1 82 ALA MB . . 5.500 4.564 4.057 4.981 . 0 0 "[ . 1 . 2]" 1
1643 1 79 ASP HB3 1 83 THR MG . . 5.500 5.164 4.155 5.549 0.049 8 0 "[ . 1 . 2]" 1
1644 1 80 ASN H 1 80 ASN QB . . 3.020 2.348 2.230 2.649 . 0 0 "[ . 1 . 2]" 1
1645 1 80 ASN H 1 80 ASN HD21 . . 4.530 2.291 2.041 2.786 . 0 0 "[ . 1 . 2]" 1
1646 1 80 ASN H 1 80 ASN HD22 . . 4.860 3.874 3.621 4.225 . 0 0 "[ . 1 . 2]" 1
1647 1 80 ASN H 1 81 ARG H . . 3.490 2.766 2.179 2.917 . 0 0 "[ . 1 . 2]" 1
1648 1 80 ASN H 1 81 ARG HG2 . . 5.500 5.274 4.862 5.581 0.081 20 0 "[ . 1 . 2]" 1
1649 1 80 ASN H 1 81 ARG HG3 . . 5.500 4.880 4.249 5.592 0.092 1 0 "[ . 1 . 2]" 1
1650 1 80 ASN H 1 82 ALA MB . . 5.350 4.687 4.496 4.813 . 0 0 "[ . 1 . 2]" 1
1651 1 80 ASN H 1 83 THR MG . . 5.500 4.738 4.378 5.246 . 0 0 "[ . 1 . 2]" 1
1652 1 80 ASN HA 1 80 ASN HD21 . . 3.910 3.258 2.195 3.689 . 0 0 "[ . 1 . 2]" 1
1653 1 80 ASN HA 1 80 ASN HD22 . . 4.250 3.924 3.585 4.311 0.061 19 0 "[ . 1 . 2]" 1
1654 1 80 ASN HA 1 81 ARG HA . . 5.080 4.600 4.494 4.737 . 0 0 "[ . 1 . 2]" 1
1655 1 80 ASN HA 1 82 ALA H . . 4.700 4.375 3.615 4.719 0.019 15 0 "[ . 1 . 2]" 1
1656 1 80 ASN HA 1 82 ALA MB . . 5.340 5.063 4.560 5.419 0.079 15 0 "[ . 1 . 2]" 1
1657 1 80 ASN HA 1 83 THR H . . 4.620 3.701 3.226 4.028 . 0 0 "[ . 1 . 2]" 1
1658 1 80 ASN HA 1 83 THR HB . . 4.090 3.573 3.275 3.733 . 0 0 "[ . 1 . 2]" 1
1659 1 80 ASN HA 1 83 THR MG . . 4.140 2.536 2.156 3.009 . 0 0 "[ . 1 . 2]" 1
1660 1 80 ASN QB 1 80 ASN HD22 . . 3.770 3.421 3.304 3.553 . 0 0 "[ . 1 . 2]" 1
1661 1 80 ASN QB 1 81 ARG H . . 3.630 3.103 2.833 3.311 . 0 0 "[ . 1 . 2]" 1
1662 1 80 ASN QB 1 81 ARG HA . . 4.670 4.145 4.009 4.299 . 0 0 "[ . 1 . 2]" 1
1663 1 80 ASN QB 1 81 ARG HG2 . . 5.500 5.084 4.718 5.503 0.003 17 0 "[ . 1 . 2]" 1
1664 1 80 ASN QB 1 81 ARG HG3 . . 5.410 5.193 4.525 5.495 0.085 5 0 "[ . 1 . 2]" 1
1665 1 80 ASN QB 1 82 ALA H . . 5.000 4.829 4.543 5.061 0.061 1 0 "[ . 1 . 2]" 1
1666 1 80 ASN QB 1 83 THR HB . . 5.500 5.537 5.209 5.597 0.097 15 0 "[ . 1 . 2]" 1
1667 1 80 ASN QB 1 83 THR MG . . 5.180 3.873 3.587 4.210 . 0 0 "[ . 1 . 2]" 1
1668 1 80 ASN QB 1 84 LEU QD . . 5.120 4.395 3.708 5.057 . 0 0 "[ . 1 . 2]" 1
1669 1 81 ARG H 1 81 ARG HB2 . . 3.850 3.633 1.928 3.815 . 0 0 "[ . 1 . 2]" 1
1670 1 81 ARG H 1 81 ARG HB3 . . 3.920 2.844 2.565 3.010 . 0 0 "[ . 1 . 2]" 1
1671 1 81 ARG H 1 81 ARG QD . . 4.680 4.255 4.153 4.324 . 0 0 "[ . 1 . 2]" 1
1672 1 81 ARG H 1 81 ARG HG2 . . 4.150 3.065 2.625 3.753 . 0 0 "[ . 1 . 2]" 1
1673 1 81 ARG H 1 81 ARG HG3 . . 3.960 2.562 2.183 3.929 . 0 0 "[ . 1 . 2]" 1
1674 1 81 ARG H 1 82 ALA H . . 3.390 2.243 2.020 2.546 . 0 0 "[ . 1 . 2]" 1
1675 1 81 ARG H 1 82 ALA MB . . 4.180 3.881 3.687 4.077 . 0 0 "[ . 1 . 2]" 1
1676 1 81 ARG HA 1 81 ARG QD . . 4.330 4.028 2.759 4.236 . 0 0 "[ . 1 . 2]" 1
1677 1 81 ARG HA 1 81 ARG HG2 . . 4.010 3.974 2.145 4.101 0.091 20 0 "[ . 1 . 2]" 1
1678 1 81 ARG HA 1 81 ARG HG3 . . 3.780 3.671 3.455 3.778 . 0 0 "[ . 1 . 2]" 1
1679 1 81 ARG HA 1 82 ALA H . . 3.540 3.522 3.342 3.587 0.047 12 0 "[ . 1 . 2]" 1
1680 1 81 ARG HA 1 83 THR MG . . 5.500 3.827 3.313 4.441 . 0 0 "[ . 1 . 2]" 1
1681 1 81 ARG HA 1 84 LEU HB2 . . 5.090 3.804 2.808 4.549 . 0 0 "[ . 1 . 2]" 1
1682 1 81 ARG HA 1 84 LEU QD . . 3.980 2.702 2.214 3.357 . 0 0 "[ . 1 . 2]" 1
1683 1 81 ARG HB2 1 82 ALA H . . 4.370 3.961 3.050 4.380 0.010 20 0 "[ . 1 . 2]" 1
1684 1 81 ARG HB2 1 83 THR H . . 5.500 5.531 5.332 5.583 0.083 20 0 "[ . 1 . 2]" 1
1685 1 81 ARG HB3 1 82 ALA H . . 4.050 4.017 2.591 4.128 0.078 20 0 "[ . 1 . 2]" 1
1686 1 81 ARG HB3 1 82 ALA MB . . 5.500 5.301 3.678 5.554 0.054 19 0 "[ . 1 . 2]" 1
1687 1 81 ARG HB3 1 84 LEU QD . . 5.500 4.410 3.695 5.191 . 0 0 "[ . 1 . 2]" 1
1688 1 81 ARG QD 1 82 ALA H . . 4.610 3.977 3.473 4.201 . 0 0 "[ . 1 . 2]" 1
1689 1 81 ARG QD 1 82 ALA HA . . 5.500 4.037 3.453 4.851 . 0 0 "[ . 1 . 2]" 1
1690 1 81 ARG HG2 1 82 ALA H . . 4.800 3.910 3.544 4.829 0.029 1 0 "[ . 1 . 2]" 1
1691 1 82 ALA H 1 82 ALA MB . . 2.850 2.182 2.110 2.269 . 0 0 "[ . 1 . 2]" 1
1692 1 82 ALA H 1 83 THR MG . . 5.260 4.093 3.564 4.399 . 0 0 "[ . 1 . 2]" 1
1693 1 82 ALA HA 1 85 GLN H . . 4.240 3.928 2.766 4.318 0.078 9 0 "[ . 1 . 2]" 1
1694 1 82 ALA HA 1 85 GLN HE21 . . 5.460 4.163 2.520 5.542 0.082 18 0 "[ . 1 . 2]" 1
1695 1 82 ALA HA 1 85 GLN QG . . 4.300 2.780 1.957 4.223 . 0 0 "[ . 1 . 2]" 1
1696 1 82 ALA MB 1 83 THR H . . 3.650 2.866 2.591 3.379 . 0 0 "[ . 1 . 2]" 1
1697 1 82 ALA MB 1 83 THR HA . . 4.250 3.948 3.648 4.130 . 0 0 "[ . 1 . 2]" 1
1698 1 82 ALA MB 1 83 THR HB . . 5.010 4.038 3.685 4.357 . 0 0 "[ . 1 . 2]" 1
1699 1 82 ALA MB 1 84 LEU H . . 5.500 4.436 4.175 4.980 . 0 0 "[ . 1 . 2]" 1
1700 1 82 ALA MB 1 85 GLN H . . 5.500 4.680 4.031 5.283 . 0 0 "[ . 1 . 2]" 1
1701 1 82 ALA MB 1 85 GLN QG . . 5.500 3.938 2.933 4.815 . 0 0 "[ . 1 . 2]" 1
1702 1 83 THR H 1 83 THR HA . . 2.910 2.851 2.792 2.963 0.053 17 0 "[ . 1 . 2]" 1
1703 1 83 THR H 1 83 THR HB . . 3.340 2.349 2.191 2.602 . 0 0 "[ . 1 . 2]" 1
1704 1 83 THR H 1 83 THR MG . . 3.300 2.219 1.966 2.454 . 0 0 "[ . 1 . 2]" 1
1705 1 83 THR H 1 85 GLN H . . 4.230 4.287 3.910 4.331 0.101 7 0 "[ . 1 . 2]" 1
1706 1 83 THR HA 1 83 THR MG . . 3.100 3.206 3.198 3.212 0.112 7 0 "[ . 1 . 2]" 1
1707 1 83 THR HA 1 84 LEU QD . . 5.500 4.807 4.100 5.176 . 0 0 "[ . 1 . 2]" 1
1708 1 83 THR HA 1 85 GLN H . . 4.300 3.573 3.310 4.289 . 0 0 "[ . 1 . 2]" 1
1709 1 83 THR HA 1 85 GLN QG . . 5.500 4.983 4.134 5.549 0.049 6 0 "[ . 1 . 2]" 1
1710 1 83 THR HB 1 84 LEU QD . . 5.500 4.779 4.032 5.182 . 0 0 "[ . 1 . 2]" 1
1711 1 83 THR MG 1 84 LEU H . . 4.800 2.721 2.387 3.109 . 0 0 "[ . 1 . 2]" 1
1712 1 83 THR MG 1 84 LEU HA . . 5.040 3.662 3.416 3.991 . 0 0 "[ . 1 . 2]" 1
1713 1 83 THR MG 1 84 LEU HB3 . . 5.500 4.756 4.440 5.087 . 0 0 "[ . 1 . 2]" 1
1714 1 83 THR MG 1 84 LEU QD . . 4.010 2.504 1.850 2.983 . 0 0 "[ . 1 . 2]" 1
1715 1 83 THR MG 1 84 LEU HG . . 3.720 2.722 2.011 3.821 0.101 19 0 "[ . 1 . 2]" 1
1716 1 83 THR MG 1 85 GLN H . . 4.560 4.482 4.346 4.653 0.093 15 0 "[ . 1 . 2]" 1
1717 1 84 LEU H 1 84 LEU HB2 . . 2.870 2.422 1.989 2.605 . 0 0 "[ . 1 . 2]" 1
1718 1 84 LEU H 1 84 LEU QD . . 3.730 2.962 1.894 3.414 . 0 0 "[ . 1 . 2]" 1
1719 1 84 LEU H 1 84 LEU HG . . 3.510 2.828 2.284 3.601 0.091 17 0 "[ . 1 . 2]" 1
1720 1 84 LEU H 1 85 GLN H . . 3.760 2.512 2.067 3.008 . 0 0 "[ . 1 . 2]" 1
1721 1 84 LEU H 1 85 GLN QG . . 5.500 3.370 2.534 4.204 . 0 0 "[ . 1 . 2]" 1
1722 1 84 LEU HA 1 84 LEU QD . . 2.840 2.296 2.034 2.866 0.026 20 0 "[ . 1 . 2]" 1
1723 1 84 LEU HA 1 84 LEU HG . . 2.950 2.900 2.248 3.041 0.091 12 0 "[ . 1 . 2]" 1
1724 1 84 LEU HA 1 85 GLN H . . 3.060 3.141 3.055 3.158 0.098 1 0 "[ . 1 . 2]" 1
1725 1 84 LEU HA 1 85 GLN QG . . 5.230 4.594 3.718 5.294 0.064 20 0 "[ . 1 . 2]" 1
1726 1 84 LEU HB2 1 85 GLN H . . 4.290 3.650 3.181 3.996 . 0 0 "[ . 1 . 2]" 1
1727 1 84 LEU HB2 1 85 GLN HE21 . . 4.840 3.762 2.092 4.930 0.090 17 0 "[ . 1 . 2]" 1
1728 1 84 LEU HB2 1 85 GLN QG . . 5.190 3.565 2.320 5.297 0.107 18 0 "[ . 1 . 2]" 1
1729 1 84 LEU QD 1 85 GLN H . . 4.840 4.312 3.960 4.501 . 0 0 "[ . 1 . 2]" 1
1730 1 85 GLN H 1 85 GLN HB2 . . 3.840 3.097 2.418 3.925 0.085 20 0 "[ . 1 . 2]" 1
1731 1 85 GLN H 1 85 GLN HB3 . . 3.460 3.681 3.191 3.912 0.452 12 0 "[ . 1 . 2]" 1
1732 1 85 GLN H 1 85 GLN QG . . 3.680 2.560 2.221 2.910 . 0 0 "[ . 1 . 2]" 1
1733 1 85 GLN HA 1 85 GLN HE22 . . 5.500 5.008 3.147 6.069 0.569 3 2 "[ + .- 1 . 2]" 1
1734 1 85 GLN HA 1 85 GLN QG . . 3.600 2.900 2.351 3.554 . 0 0 "[ . 1 . 2]" 1
1735 1 85 GLN HB2 1 85 GLN QG . . 2.490 2.320 2.137 2.572 0.082 12 0 "[ . 1 . 2]" 1
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