NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
621976 |
5lxj   |
34045 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5lxj
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 945
_Distance_constraint_stats_list.Viol_count 345
_Distance_constraint_stats_list.Viol_total 41.182
_Distance_constraint_stats_list.Viol_max 0.147
_Distance_constraint_stats_list.Viol_rms 0.0026
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0060
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 SER 0.002 0.001 13 0 "[ . 1 . 2]"
1 4 SER 0.026 0.006 19 0 "[ . 1 . 2]"
1 5 ARG 0.035 0.009 4 0 "[ . 1 . 2]"
1 6 SER 0.040 0.009 4 0 "[ . 1 . 2]"
1 7 VAL 0.207 0.020 2 0 "[ . 1 . 2]"
1 8 ILE 0.211 0.020 2 0 "[ . 1 . 2]"
1 9 ARG 0.056 0.009 5 0 "[ . 1 . 2]"
1 10 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ILE 0.010 0.006 7 0 "[ . 1 . 2]"
1 12 ILE 0.055 0.007 8 0 "[ . 1 . 2]"
1 13 LYS 0.058 0.010 11 0 "[ . 1 . 2]"
1 14 SER 0.003 0.002 4 0 "[ . 1 . 2]"
1 15 SER 0.008 0.004 11 0 "[ . 1 . 2]"
1 16 LYS 0.013 0.005 6 0 "[ . 1 . 2]"
1 17 LEU 0.361 0.027 6 0 "[ . 1 . 2]"
1 18 ASN 0.366 0.027 6 0 "[ . 1 . 2]"
1 19 ILE 0.127 0.120 19 0 "[ . 1 . 2]"
1 20 ASP 0.007 0.005 11 0 "[ . 1 . 2]"
1 21 HIS 0.030 0.026 11 0 "[ . 1 . 2]"
1 22 LYS 0.025 0.006 11 0 "[ . 1 . 2]"
1 23 ASP 0.013 0.003 8 0 "[ . 1 . 2]"
1 24 TYR 0.015 0.006 11 0 "[ . 1 . 2]"
1 25 LEU 0.015 0.002 4 0 "[ . 1 . 2]"
1 26 LEU 0.074 0.010 11 0 "[ . 1 . 2]"
1 27 ASP 0.030 0.010 8 0 "[ . 1 . 2]"
1 28 LEU 0.126 0.016 11 0 "[ . 1 . 2]"
1 29 LEU 0.035 0.007 11 0 "[ . 1 . 2]"
1 30 ASN 0.088 0.016 11 0 "[ . 1 . 2]"
1 31 ASP 0.017 0.005 16 0 "[ . 1 . 2]"
1 32 VAL 0.031 0.005 16 0 "[ . 1 . 2]"
1 33 LYS 0.000 0.000 12 0 "[ . 1 . 2]"
1 34 GLY 0.005 0.002 12 0 "[ . 1 . 2]"
1 35 SER 0.004 0.002 12 0 "[ . 1 . 2]"
1 36 LYS 0.445 0.133 9 0 "[ . 1 . 2]"
1 37 ASP 0.428 0.133 9 0 "[ . 1 . 2]"
1 38 LEU 0.054 0.008 16 0 "[ . 1 . 2]"
1 39 LYS 0.024 0.014 6 0 "[ . 1 . 2]"
1 40 GLU 0.027 0.014 6 0 "[ . 1 . 2]"
1 41 PHE 0.066 0.014 12 0 "[ . 1 . 2]"
1 42 HIS 0.032 0.008 16 0 "[ . 1 . 2]"
1 43 LYS 0.034 0.006 11 0 "[ . 1 . 2]"
1 44 MET 0.007 0.005 18 0 "[ . 1 . 2]"
1 45 LEU 0.013 0.005 18 0 "[ . 1 . 2]"
1 46 THR 0.029 0.006 11 0 "[ . 1 . 2]"
1 47 ALA 0.000 0.000 8 0 "[ . 1 . 2]"
1 48 ILE 0.054 0.013 18 0 "[ . 1 . 2]"
1 49 LEU 0.021 0.005 6 0 "[ . 1 . 2]"
1 50 ALA 0.030 0.013 18 0 "[ . 1 . 2]"
1 51 LYS 0.004 0.004 18 0 "[ . 1 . 2]"
1 52 GLN 0.301 0.147 13 0 "[ . 1 . 2]"
1 53 PRO 0.293 0.147 13 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 SER H 1 4 SER H . . 4.660 3.312 2.708 4.352 . 0 0 "[ . 1 . 2]" 1
2 1 3 SER HA 1 8 ILE MD . . 4.230 3.591 3.051 4.190 . 0 0 "[ . 1 . 2]" 1
3 1 3 SER HA 1 8 ILE QG . . 5.050 4.449 3.262 4.909 . 0 0 "[ . 1 . 2]" 1
4 1 3 SER QB 1 8 ILE MD . . 4.400 3.006 2.237 3.773 . 0 0 "[ . 1 . 2]" 1
5 1 3 SER QB 1 38 LEU QD . . 4.530 4.201 3.090 4.531 0.001 13 0 "[ . 1 . 2]" 1
6 1 3 SER HB2 1 4 SER H . . 5.430 4.341 3.398 4.595 . 0 0 "[ . 1 . 2]" 1
7 1 3 SER HB3 1 4 SER H . . 5.430 4.373 3.865 4.664 . 0 0 "[ . 1 . 2]" 1
8 1 4 SER H 1 4 SER QB . . 3.620 2.549 2.158 3.021 . 0 0 "[ . 1 . 2]" 1
9 1 4 SER H 1 5 ARG H . . 4.710 4.583 4.497 4.643 . 0 0 "[ . 1 . 2]" 1
10 1 4 SER H 1 7 VAL HB . . 4.590 3.335 2.198 4.129 . 0 0 "[ . 1 . 2]" 1
11 1 4 SER H 1 8 ILE MD . . 4.530 3.999 3.468 4.462 . 0 0 "[ . 1 . 2]" 1
12 1 4 SER HA 1 5 ARG H . . 3.500 2.249 2.139 2.412 . 0 0 "[ . 1 . 2]" 1
13 1 4 SER HA 1 6 SER H . . 5.150 4.164 3.930 4.646 . 0 0 "[ . 1 . 2]" 1
14 1 4 SER HA 1 7 VAL HB . . 5.130 4.965 4.350 5.136 0.006 19 0 "[ . 1 . 2]" 1
15 1 4 SER HA 1 7 VAL MG2 . . 4.590 4.342 4.135 4.452 . 0 0 "[ . 1 . 2]" 1
16 1 4 SER HA 1 8 ILE MD . . 4.850 3.898 3.425 4.199 . 0 0 "[ . 1 . 2]" 1
17 1 4 SER QB 1 5 ARG H . . 3.990 2.972 2.407 3.506 . 0 0 "[ . 1 . 2]" 1
18 1 4 SER QB 1 6 SER H . . 4.520 2.842 2.621 3.253 . 0 0 "[ . 1 . 2]" 1
19 1 4 SER QB 1 7 VAL H . . 3.940 2.702 2.285 3.095 . 0 0 "[ . 1 . 2]" 1
20 1 4 SER QB 1 7 VAL HB . . 4.450 3.653 2.500 4.275 . 0 0 "[ . 1 . 2]" 1
21 1 4 SER QB 1 7 VAL MG2 . . 3.990 2.296 1.880 2.895 . 0 0 "[ . 1 . 2]" 1
22 1 4 SER QB 1 8 ILE MD . . 4.480 4.338 4.059 4.473 . 0 0 "[ . 1 . 2]" 1
23 1 4 SER HB2 1 5 ARG H . . 4.590 3.831 3.366 4.368 . 0 0 "[ . 1 . 2]" 1
24 1 4 SER HB2 1 7 VAL H . . 4.530 3.130 2.303 4.529 . 0 0 "[ . 1 . 2]" 1
25 1 4 SER HB3 1 5 ARG H . . 4.590 3.147 2.434 3.825 . 0 0 "[ . 1 . 2]" 1
26 1 4 SER HB3 1 7 VAL H . . 4.530 3.641 2.348 4.455 . 0 0 "[ . 1 . 2]" 1
27 1 5 ARG H 1 5 ARG HB2 . . 3.810 2.618 2.225 3.589 . 0 0 "[ . 1 . 2]" 1
28 1 5 ARG H 1 5 ARG QB . . 3.290 2.411 2.154 2.625 . 0 0 "[ . 1 . 2]" 1
29 1 5 ARG H 1 5 ARG HB3 . . 3.810 3.166 2.453 3.591 . 0 0 "[ . 1 . 2]" 1
30 1 5 ARG H 1 5 ARG QG . . 4.430 2.785 1.936 3.970 . 0 0 "[ . 1 . 2]" 1
31 1 5 ARG H 1 6 SER H . . 3.760 2.806 2.741 2.909 . 0 0 "[ . 1 . 2]" 1
32 1 5 ARG H 1 8 ILE MD . . 4.170 3.566 3.338 3.648 . 0 0 "[ . 1 . 2]" 1
33 1 5 ARG H 1 38 LEU QD . . 4.890 4.516 4.210 4.818 . 0 0 "[ . 1 . 2]" 1
34 1 5 ARG HA 1 5 ARG QG . . 3.640 2.479 2.219 3.344 . 0 0 "[ . 1 . 2]" 1
35 1 5 ARG HA 1 8 ILE H . . 4.340 3.388 3.257 3.504 . 0 0 "[ . 1 . 2]" 1
36 1 5 ARG HA 1 8 ILE HB . . 4.140 2.933 2.647 3.029 . 0 0 "[ . 1 . 2]" 1
37 1 5 ARG HA 1 8 ILE MD . . 3.610 1.950 1.898 2.091 . 0 0 "[ . 1 . 2]" 1
38 1 5 ARG HA 1 29 LEU QD . . 4.380 3.242 2.846 3.673 . 0 0 "[ . 1 . 2]" 1
39 1 5 ARG HA 1 38 LEU QD . . 4.220 3.777 3.486 4.069 . 0 0 "[ . 1 . 2]" 1
40 1 5 ARG QB 1 6 SER H . . 3.420 2.672 2.334 3.427 0.007 11 0 "[ . 1 . 2]" 1
41 1 5 ARG QB 1 38 LEU QD . . 4.200 3.835 3.325 4.200 . 0 0 "[ . 1 . 2]" 1
42 1 5 ARG HB2 1 6 SER H . . 3.930 3.157 2.377 3.931 0.001 10 0 "[ . 1 . 2]" 1
43 1 5 ARG HB3 1 6 SER H . . 3.930 3.362 2.450 3.927 . 0 0 "[ . 1 . 2]" 1
44 1 5 ARG QG 1 6 SER H . . 4.260 3.752 1.945 4.179 . 0 0 "[ . 1 . 2]" 1
45 1 5 ARG QG 1 29 LEU QD . . 3.680 3.106 2.016 3.682 0.002 13 0 "[ . 1 . 2]" 1
46 1 5 ARG HG2 1 6 SER H . . 4.970 4.316 1.978 4.979 0.009 4 0 "[ . 1 . 2]" 1
47 1 5 ARG HG3 1 6 SER H . . 4.970 4.264 2.312 4.971 0.001 12 0 "[ . 1 . 2]" 1
48 1 6 SER H 1 6 SER HB2 . . 4.080 3.226 2.336 3.594 . 0 0 "[ . 1 . 2]" 1
49 1 6 SER H 1 6 SER QB . . 3.540 2.434 2.167 2.755 . 0 0 "[ . 1 . 2]" 1
50 1 6 SER H 1 6 SER HB3 . . 4.080 2.689 2.233 3.594 . 0 0 "[ . 1 . 2]" 1
51 1 6 SER H 1 7 VAL H . . 3.590 2.713 2.612 2.781 . 0 0 "[ . 1 . 2]" 1
52 1 6 SER H 1 7 VAL MG2 . . 4.710 4.124 3.969 4.277 . 0 0 "[ . 1 . 2]" 1
53 1 6 SER H 1 8 ILE H . . 4.600 4.401 4.075 4.576 . 0 0 "[ . 1 . 2]" 1
54 1 6 SER H 1 9 ARG HG2 . . 5.290 4.235 4.144 4.417 . 0 0 "[ . 1 . 2]" 1
55 1 6 SER HA 1 9 ARG H . . 4.190 3.904 3.784 3.958 . 0 0 "[ . 1 . 2]" 1
56 1 6 SER HA 1 9 ARG HB3 . . 4.070 4.043 3.887 4.074 0.004 5 0 "[ . 1 . 2]" 1
57 1 6 SER HA 1 9 ARG QD . . 4.370 2.140 1.967 2.395 . 0 0 "[ . 1 . 2]" 1
58 1 6 SER QB 1 9 ARG HG3 . . 5.340 4.552 4.359 5.060 . 0 0 "[ . 1 . 2]" 1
59 1 6 SER HB2 1 7 VAL H . . 5.120 3.666 2.738 4.155 . 0 0 "[ . 1 . 2]" 1
60 1 6 SER HB3 1 7 VAL H . . 5.120 3.710 2.722 4.157 . 0 0 "[ . 1 . 2]" 1
61 1 7 VAL H 1 7 VAL HB . . 3.160 2.523 2.505 2.575 . 0 0 "[ . 1 . 2]" 1
62 1 7 VAL H 1 7 VAL MG1 . . 4.050 3.766 3.764 3.769 . 0 0 "[ . 1 . 2]" 1
63 1 7 VAL H 1 7 VAL MG2 . . 3.310 2.189 1.985 2.345 . 0 0 "[ . 1 . 2]" 1
64 1 7 VAL H 1 8 ILE H . . 3.490 2.653 2.483 2.721 . 0 0 "[ . 1 . 2]" 1
65 1 7 VAL H 1 8 ILE HB . . 4.820 4.819 4.732 4.840 0.020 2 0 "[ . 1 . 2]" 1
66 1 7 VAL H 1 8 ILE MD . . 4.490 3.731 3.420 4.491 0.001 15 0 "[ . 1 . 2]" 1
67 1 7 VAL HA 1 7 VAL MG1 . . 3.530 2.308 2.265 2.340 . 0 0 "[ . 1 . 2]" 1
68 1 7 VAL HA 1 7 VAL MG2 . . 3.020 2.375 2.280 2.446 . 0 0 "[ . 1 . 2]" 1
69 1 7 VAL HA 1 10 SER H . . 4.330 3.669 3.595 3.781 . 0 0 "[ . 1 . 2]" 1
70 1 7 VAL HA 1 10 SER QB . . 3.890 2.626 2.453 2.881 . 0 0 "[ . 1 . 2]" 1
71 1 7 VAL HB 1 8 ILE H . . 3.560 2.459 2.318 2.744 . 0 0 "[ . 1 . 2]" 1
72 1 7 VAL MG1 1 8 ILE H . . 3.780 3.347 3.229 3.575 . 0 0 "[ . 1 . 2]" 1
73 1 7 VAL MG1 1 8 ILE QG . . 3.560 3.457 3.331 3.560 . 0 0 "[ . 1 . 2]" 1
74 1 7 VAL MG1 1 10 SER H . . 5.340 4.726 4.645 4.902 . 0 0 "[ . 1 . 2]" 1
75 1 7 VAL MG1 1 11 ILE H . . 4.600 4.412 4.226 4.570 . 0 0 "[ . 1 . 2]" 1
76 1 7 VAL MG2 1 8 ILE H . . 4.020 3.770 3.668 3.887 . 0 0 "[ . 1 . 2]" 1
77 1 8 ILE H 1 8 ILE HB . . 3.070 2.535 2.507 2.561 . 0 0 "[ . 1 . 2]" 1
78 1 8 ILE H 1 8 ILE MD . . 3.860 2.262 1.902 3.163 . 0 0 "[ . 1 . 2]" 1
79 1 8 ILE H 1 8 ILE HG12 . . 3.940 3.791 3.683 3.857 . 0 0 "[ . 1 . 2]" 1
80 1 8 ILE H 1 8 ILE QG . . 3.240 2.522 2.192 2.755 . 0 0 "[ . 1 . 2]" 1
81 1 8 ILE H 1 8 ILE HG13 . . 3.940 2.565 2.209 2.823 . 0 0 "[ . 1 . 2]" 1
82 1 8 ILE H 1 8 ILE MG . . 3.770 3.763 3.760 3.766 . 0 0 "[ . 1 . 2]" 1
83 1 8 ILE H 1 9 ARG H . . 3.580 2.824 2.699 2.887 . 0 0 "[ . 1 . 2]" 1
84 1 8 ILE H 1 9 ARG HG2 . . 4.190 4.111 3.829 4.199 0.009 5 0 "[ . 1 . 2]" 1
85 1 8 ILE H 1 10 SER H . . 4.450 3.997 3.884 4.037 . 0 0 "[ . 1 . 2]" 1
86 1 8 ILE H 1 11 ILE HG13 . . 5.330 5.157 5.066 5.302 . 0 0 "[ . 1 . 2]" 1
87 1 8 ILE HA 1 8 ILE HG12 . . 4.050 3.241 2.782 3.441 . 0 0 "[ . 1 . 2]" 1
88 1 8 ILE HA 1 8 ILE QG . . 3.550 2.326 2.270 2.452 . 0 0 "[ . 1 . 2]" 1
89 1 8 ILE HA 1 8 ILE HG13 . . 4.050 2.407 2.306 2.724 . 0 0 "[ . 1 . 2]" 1
90 1 8 ILE HA 1 8 ILE MG . . 3.620 2.343 2.312 2.386 . 0 0 "[ . 1 . 2]" 1
91 1 8 ILE HA 1 10 SER H . . 4.690 4.254 4.164 4.314 . 0 0 "[ . 1 . 2]" 1
92 1 8 ILE HA 1 11 ILE H . . 4.250 3.500 3.389 3.586 . 0 0 "[ . 1 . 2]" 1
93 1 8 ILE HA 1 11 ILE HB . . 4.080 3.250 3.046 3.402 . 0 0 "[ . 1 . 2]" 1
94 1 8 ILE HA 1 11 ILE MD . . 3.470 2.357 2.065 2.801 . 0 0 "[ . 1 . 2]" 1
95 1 8 ILE HB 1 8 ILE MD . . 3.440 2.177 2.027 2.312 . 0 0 "[ . 1 . 2]" 1
96 1 8 ILE HB 1 9 ARG H . . 3.630 2.308 2.296 2.344 . 0 0 "[ . 1 . 2]" 1
97 1 8 ILE HB 1 10 SER H . . 5.500 4.743 4.729 4.793 . 0 0 "[ . 1 . 2]" 1
98 1 8 ILE HB 1 29 LEU QD . . 4.220 2.458 2.042 2.724 . 0 0 "[ . 1 . 2]" 1
99 1 8 ILE HB 1 41 PHE QD . . 5.500 5.187 4.865 5.502 0.002 6 0 "[ . 1 . 2]" 1
100 1 8 ILE MD 1 8 ILE MG . . 3.310 2.853 2.194 3.101 . 0 0 "[ . 1 . 2]" 1
101 1 8 ILE MD 1 9 ARG H . . 4.120 3.689 3.489 4.119 . 0 0 "[ . 1 . 2]" 1
102 1 8 ILE MD 1 29 LEU QD . . 3.850 2.976 2.225 3.496 . 0 0 "[ . 1 . 2]" 1
103 1 8 ILE MD 1 42 HIS HB3 . . 5.500 5.369 4.237 5.501 0.001 11 0 "[ . 1 . 2]" 1
104 1 8 ILE MD 1 42 HIS HD2 . . 4.050 3.694 3.202 4.052 0.002 11 0 "[ . 1 . 2]" 1
105 1 8 ILE QG 1 8 ILE MG . . 3.230 1.988 1.917 2.210 . 0 0 "[ . 1 . 2]" 1
106 1 8 ILE QG 1 11 ILE MD . . 4.550 3.484 3.223 3.792 . 0 0 "[ . 1 . 2]" 1
107 1 8 ILE QG 1 29 LEU QD . . 3.900 3.541 3.367 3.866 . 0 0 "[ . 1 . 2]" 1
108 1 8 ILE QG 1 41 PHE QD . . 5.340 4.071 3.711 4.661 . 0 0 "[ . 1 . 2]" 1
109 1 8 ILE QG 1 42 HIS HB3 . . 5.340 4.528 3.253 5.152 . 0 0 "[ . 1 . 2]" 1
110 1 8 ILE QG 1 42 HIS HD2 . . 4.160 2.688 2.405 3.065 . 0 0 "[ . 1 . 2]" 1
111 1 8 ILE QG 1 42 HIS HE1 . . 5.340 4.078 3.749 4.560 . 0 0 "[ . 1 . 2]" 1
112 1 8 ILE HG12 1 42 HIS HD2 . . 4.800 2.714 2.423 3.101 . 0 0 "[ . 1 . 2]" 1
113 1 8 ILE HG13 1 42 HIS HD2 . . 4.800 4.341 4.006 4.800 0.000 7 0 "[ . 1 . 2]" 1
114 1 8 ILE MG 1 9 ARG H . . 4.120 3.175 3.114 3.223 . 0 0 "[ . 1 . 2]" 1
115 1 8 ILE MG 1 11 ILE HB . . 4.890 3.693 3.474 3.870 . 0 0 "[ . 1 . 2]" 1
116 1 8 ILE MG 1 12 ILE HG12 . . 3.960 3.843 3.533 3.962 0.002 11 0 "[ . 1 . 2]" 1
117 1 8 ILE MG 1 12 ILE HG13 . . 3.520 2.956 2.726 3.090 . 0 0 "[ . 1 . 2]" 1
118 1 8 ILE MG 1 29 LEU MD1 . . 3.540 2.260 1.828 2.562 . 0 0 "[ . 1 . 2]" 1
119 1 8 ILE MG 1 29 LEU MD2 . . 3.540 2.301 1.927 3.541 0.001 4 0 "[ . 1 . 2]" 1
120 1 8 ILE MG 1 41 PHE QD . . 3.530 2.845 2.535 3.346 . 0 0 "[ . 1 . 2]" 1
121 1 8 ILE MG 1 41 PHE QE . . 3.500 2.123 1.910 2.747 . 0 0 "[ . 1 . 2]" 1
122 1 8 ILE MG 1 42 HIS H . . 5.500 5.259 5.002 5.443 . 0 0 "[ . 1 . 2]" 1
123 1 8 ILE MG 1 42 HIS HD2 . . 4.280 2.432 1.979 2.757 . 0 0 "[ . 1 . 2]" 1
124 1 9 ARG H 1 9 ARG HB3 . . 3.010 2.431 2.356 2.497 . 0 0 "[ . 1 . 2]" 1
125 1 9 ARG H 1 9 ARG HG2 . . 4.300 2.309 2.188 2.473 . 0 0 "[ . 1 . 2]" 1
126 1 9 ARG H 1 9 ARG HG3 . . 4.160 3.493 3.400 3.610 . 0 0 "[ . 1 . 2]" 1
127 1 9 ARG H 1 10 SER H . . 3.610 2.737 2.701 2.794 . 0 0 "[ . 1 . 2]" 1
128 1 9 ARG H 1 12 ILE HB . . 5.500 5.461 5.282 5.507 0.007 8 0 "[ . 1 . 2]" 1
129 1 9 ARG H 1 26 LEU MD2 . . 4.970 4.113 3.985 4.401 . 0 0 "[ . 1 . 2]" 1
130 1 9 ARG H 1 29 LEU QD . . 3.940 2.689 2.227 3.047 . 0 0 "[ . 1 . 2]" 1
131 1 9 ARG HA 1 9 ARG HG2 . . 4.180 3.779 3.727 3.808 . 0 0 "[ . 1 . 2]" 1
132 1 9 ARG HA 1 9 ARG HG3 . . 4.160 3.722 3.683 3.776 . 0 0 "[ . 1 . 2]" 1
133 1 9 ARG HA 1 12 ILE H . . 4.270 3.318 3.222 3.406 . 0 0 "[ . 1 . 2]" 1
134 1 9 ARG HA 1 12 ILE HB . . 4.050 2.827 2.621 2.926 . 0 0 "[ . 1 . 2]" 1
135 1 9 ARG HA 1 12 ILE MD . . 3.870 2.281 1.934 2.686 . 0 0 "[ . 1 . 2]" 1
136 1 9 ARG HA 1 13 LYS H . . 4.190 3.953 3.766 4.190 0.000 18 0 "[ . 1 . 2]" 1
137 1 9 ARG HA 1 26 LEU MD2 . . 3.860 2.061 1.906 2.531 . 0 0 "[ . 1 . 2]" 1
138 1 9 ARG HA 1 29 LEU QD . . 4.030 2.653 2.301 3.157 . 0 0 "[ . 1 . 2]" 1
139 1 9 ARG HB2 1 9 ARG QD . . 3.680 2.649 2.278 3.010 . 0 0 "[ . 1 . 2]" 1
140 1 9 ARG HB2 1 10 SER H . . 4.330 3.870 3.761 3.934 . 0 0 "[ . 1 . 2]" 1
141 1 9 ARG HB2 1 26 LEU MD2 . . 3.400 1.920 1.890 1.974 . 0 0 "[ . 1 . 2]" 1
142 1 9 ARG HB3 1 10 SER H . . 4.190 3.908 3.868 3.942 . 0 0 "[ . 1 . 2]" 1
143 1 9 ARG HB3 1 29 LEU QD . . 3.800 2.105 1.886 2.690 . 0 0 "[ . 1 . 2]" 1
144 1 9 ARG QD 1 26 LEU MD2 . . 4.380 3.706 3.068 4.121 . 0 0 "[ . 1 . 2]" 1
145 1 9 ARG QD 1 29 LEU QD . . 4.690 3.705 3.155 4.348 . 0 0 "[ . 1 . 2]" 1
146 1 9 ARG HG2 1 10 SER H . . 4.500 2.502 2.365 2.544 . 0 0 "[ . 1 . 2]" 1
147 1 9 ARG HG2 1 11 ILE H . . 5.150 5.043 4.908 5.116 . 0 0 "[ . 1 . 2]" 1
148 1 9 ARG HG2 1 26 LEU MD2 . . 4.430 4.310 4.233 4.433 0.003 11 0 "[ . 1 . 2]" 1
149 1 9 ARG HG3 1 10 SER H . . 4.400 2.416 2.287 2.554 . 0 0 "[ . 1 . 2]" 1
150 1 9 ARG HG3 1 11 ILE H . . 4.960 4.834 4.792 4.959 . 0 0 "[ . 1 . 2]" 1
151 1 9 ARG HG3 1 26 LEU MD2 . . 4.070 3.816 3.696 3.966 . 0 0 "[ . 1 . 2]" 1
152 1 9 ARG HG3 1 29 LEU QD . . 5.030 4.487 4.208 4.900 . 0 0 "[ . 1 . 2]" 1
153 1 10 SER H 1 10 SER HB2 . . 3.590 2.622 2.208 2.957 . 0 0 "[ . 1 . 2]" 1
154 1 10 SER H 1 10 SER QB . . 3.110 2.229 2.138 2.264 . 0 0 "[ . 1 . 2]" 1
155 1 10 SER H 1 10 SER HB3 . . 3.590 2.531 2.194 3.514 . 0 0 "[ . 1 . 2]" 1
156 1 10 SER H 1 11 ILE H . . 3.580 2.657 2.596 2.725 . 0 0 "[ . 1 . 2]" 1
157 1 10 SER H 1 12 ILE H . . 4.830 4.117 4.055 4.173 . 0 0 "[ . 1 . 2]" 1
158 1 10 SER H 1 13 LYS HG2 . . 5.090 4.360 4.257 4.552 . 0 0 "[ . 1 . 2]" 1
159 1 10 SER H 1 26 LEU MD2 . . 5.500 4.545 4.257 5.049 . 0 0 "[ . 1 . 2]" 1
160 1 10 SER HA 1 13 LYS H . . 4.390 3.823 3.728 3.926 . 0 0 "[ . 1 . 2]" 1
161 1 10 SER HA 1 13 LYS QB . . 4.390 3.962 3.816 4.223 . 0 0 "[ . 1 . 2]" 1
162 1 10 SER HA 1 13 LYS QD . . 4.160 2.346 2.215 2.645 . 0 0 "[ . 1 . 2]" 1
163 1 10 SER QB 1 11 ILE H . . 3.790 2.721 2.541 2.842 . 0 0 "[ . 1 . 2]" 1
164 1 10 SER QB 1 11 ILE HG13 . . 4.260 3.230 3.050 3.497 . 0 0 "[ . 1 . 2]" 1
165 1 11 ILE H 1 11 ILE HB . . 3.150 2.520 2.506 2.541 . 0 0 "[ . 1 . 2]" 1
166 1 11 ILE H 1 11 ILE MD . . 4.300 3.366 3.177 3.533 . 0 0 "[ . 1 . 2]" 1
167 1 11 ILE H 1 11 ILE HG12 . . 3.750 3.595 3.433 3.681 . 0 0 "[ . 1 . 2]" 1
168 1 11 ILE H 1 11 ILE HG13 . . 3.330 2.173 2.086 2.233 . 0 0 "[ . 1 . 2]" 1
169 1 11 ILE H 1 11 ILE MG . . 3.980 3.768 3.764 3.775 . 0 0 "[ . 1 . 2]" 1
170 1 11 ILE H 1 12 ILE H . . 3.360 2.537 2.454 2.617 . 0 0 "[ . 1 . 2]" 1
171 1 11 ILE H 1 12 ILE HG13 . . 4.580 4.040 3.943 4.154 . 0 0 "[ . 1 . 2]" 1
172 1 11 ILE H 1 13 LYS HG2 . . 4.370 4.274 4.215 4.361 . 0 0 "[ . 1 . 2]" 1
173 1 11 ILE HA 1 11 ILE HG12 . . 3.720 2.694 2.580 2.810 . 0 0 "[ . 1 . 2]" 1
174 1 11 ILE HA 1 11 ILE HG13 . . 3.950 2.835 2.694 2.975 . 0 0 "[ . 1 . 2]" 1
175 1 11 ILE HA 1 11 ILE MG . . 3.570 2.326 2.287 2.380 . 0 0 "[ . 1 . 2]" 1
176 1 11 ILE HA 1 14 SER H . . 4.150 3.647 3.312 3.763 . 0 0 "[ . 1 . 2]" 1
177 1 11 ILE HA 1 14 SER QB . . 3.810 2.794 2.561 3.086 . 0 0 "[ . 1 . 2]" 1
178 1 11 ILE HB 1 11 ILE MD . . 3.480 2.249 2.107 2.403 . 0 0 "[ . 1 . 2]" 1
179 1 11 ILE HB 1 12 ILE H . . 3.280 2.719 2.642 2.768 . 0 0 "[ . 1 . 2]" 1
180 1 11 ILE HG13 1 11 ILE MG . . 3.710 3.171 3.150 3.196 . 0 0 "[ . 1 . 2]" 1
181 1 11 ILE HG13 1 12 ILE H . . 4.300 4.249 4.206 4.306 0.006 7 0 "[ . 1 . 2]" 1
182 1 11 ILE MG 1 12 ILE H . . 4.090 3.579 3.516 3.639 . 0 0 "[ . 1 . 2]" 1
183 1 11 ILE MG 1 12 ILE HA . . 4.060 3.617 3.457 3.698 . 0 0 "[ . 1 . 2]" 1
184 1 11 ILE MG 1 12 ILE HG12 . . 4.980 4.406 4.239 4.738 . 0 0 "[ . 1 . 2]" 1
185 1 11 ILE MG 1 14 SER H . . 4.760 4.691 4.373 4.762 0.002 4 0 "[ . 1 . 2]" 1
186 1 12 ILE H 1 12 ILE HB . . 3.490 2.547 2.521 2.602 . 0 0 "[ . 1 . 2]" 1
187 1 12 ILE H 1 12 ILE MD . . 3.700 3.458 3.291 3.595 . 0 0 "[ . 1 . 2]" 1
188 1 12 ILE H 1 12 ILE HG12 . . 3.500 3.444 3.297 3.502 0.002 13 0 "[ . 1 . 2]" 1
189 1 12 ILE H 1 12 ILE HG13 . . 3.560 2.084 1.981 2.136 . 0 0 "[ . 1 . 2]" 1
190 1 12 ILE H 1 12 ILE MG . . 4.510 3.767 3.764 3.771 . 0 0 "[ . 1 . 2]" 1
191 1 12 ILE H 1 13 LYS H . . 3.540 2.742 2.714 2.820 . 0 0 "[ . 1 . 2]" 1
192 1 12 ILE H 1 26 LEU HG . . 5.420 5.295 4.927 5.423 0.003 7 0 "[ . 1 . 2]" 1
193 1 12 ILE HA 1 12 ILE HG12 . . 4.140 2.618 2.531 2.700 . 0 0 "[ . 1 . 2]" 1
194 1 12 ILE HA 1 12 ILE HG13 . . 4.210 2.946 2.825 3.042 . 0 0 "[ . 1 . 2]" 1
195 1 12 ILE HA 1 12 ILE MG . . 3.590 2.343 2.266 2.395 . 0 0 "[ . 1 . 2]" 1
196 1 12 ILE HA 1 15 SER H . . 4.440 3.425 3.244 3.897 . 0 0 "[ . 1 . 2]" 1
197 1 12 ILE HB 1 12 ILE MD . . 3.430 2.357 2.188 2.444 . 0 0 "[ . 1 . 2]" 1
198 1 12 ILE HB 1 13 LYS H . . 3.360 2.303 2.270 2.465 . 0 0 "[ . 1 . 2]" 1
199 1 12 ILE HB 1 26 LEU MD2 . . 3.660 2.404 1.946 3.257 . 0 0 "[ . 1 . 2]" 1
200 1 12 ILE MD 1 13 LYS H . . 4.440 4.260 4.186 4.322 . 0 0 "[ . 1 . 2]" 1
201 1 12 ILE MD 1 25 LEU HB2 . . 3.880 2.816 2.460 3.534 . 0 0 "[ . 1 . 2]" 1
202 1 12 ILE MD 1 25 LEU QB . . 3.370 2.083 1.862 2.611 . 0 0 "[ . 1 . 2]" 1
203 1 12 ILE MD 1 25 LEU HB3 . . 3.880 2.149 1.920 2.697 . 0 0 "[ . 1 . 2]" 1
204 1 12 ILE MD 1 25 LEU MD1 . . 3.800 3.147 2.815 3.698 . 0 0 "[ . 1 . 2]" 1
205 1 12 ILE MD 1 26 LEU HA . . 4.160 3.024 2.665 3.279 . 0 0 "[ . 1 . 2]" 1
206 1 12 ILE MD 1 26 LEU HG . . 4.270 2.778 2.340 3.139 . 0 0 "[ . 1 . 2]" 1
207 1 12 ILE MD 1 29 LEU H . . 4.930 4.741 4.401 4.926 . 0 0 "[ . 1 . 2]" 1
208 1 12 ILE MD 1 29 LEU MD1 . . 4.130 3.325 2.377 3.742 . 0 0 "[ . 1 . 2]" 1
209 1 12 ILE MD 1 29 LEU MD2 . . 4.130 2.336 1.849 4.032 . 0 0 "[ . 1 . 2]" 1
210 1 12 ILE MD 1 41 PHE QE . . 3.920 2.473 2.121 2.903 . 0 0 "[ . 1 . 2]" 1
211 1 12 ILE MD 1 41 PHE HZ . . 4.150 2.095 1.883 2.686 . 0 0 "[ . 1 . 2]" 1
212 1 12 ILE HG12 1 25 LEU MD1 . . 3.810 2.931 2.047 3.235 . 0 0 "[ . 1 . 2]" 1
213 1 12 ILE HG12 1 25 LEU MD2 . . 5.500 4.400 3.761 4.647 . 0 0 "[ . 1 . 2]" 1
214 1 12 ILE HG12 1 45 LEU MD1 . . 3.710 2.687 2.137 3.327 . 0 0 "[ . 1 . 2]" 1
215 1 12 ILE HG12 1 45 LEU MD2 . . 4.030 3.008 2.299 3.715 . 0 0 "[ . 1 . 2]" 1
216 1 12 ILE HG13 1 13 LYS H . . 4.630 4.112 4.008 4.194 . 0 0 "[ . 1 . 2]" 1
217 1 12 ILE MG 1 13 LYS H . . 4.240 3.220 3.155 3.327 . 0 0 "[ . 1 . 2]" 1
218 1 12 ILE MG 1 13 LYS HA . . 4.190 3.379 3.272 3.502 . 0 0 "[ . 1 . 2]" 1
219 1 12 ILE MG 1 22 LYS H . . 4.750 4.366 4.147 4.750 . 0 0 "[ . 1 . 2]" 1
220 1 12 ILE MG 1 22 LYS HA . . 3.540 2.222 1.994 2.582 . 0 0 "[ . 1 . 2]" 1
221 1 12 ILE MG 1 22 LYS HB2 . . 4.240 3.854 3.637 4.033 . 0 0 "[ . 1 . 2]" 1
222 1 12 ILE MG 1 22 LYS HB3 . . 4.200 2.492 2.196 2.823 . 0 0 "[ . 1 . 2]" 1
223 1 12 ILE MG 1 24 TYR H . . 5.260 5.171 4.948 5.263 0.003 4 0 "[ . 1 . 2]" 1
224 1 12 ILE MG 1 25 LEU H . . 4.350 3.886 3.709 4.075 . 0 0 "[ . 1 . 2]" 1
225 1 12 ILE MG 1 25 LEU HB2 . . 3.820 2.038 1.895 2.267 . 0 0 "[ . 1 . 2]" 1
226 1 12 ILE MG 1 25 LEU HB3 . . 3.820 2.748 2.360 3.089 . 0 0 "[ . 1 . 2]" 1
227 1 12 ILE MG 1 25 LEU MD1 . . 3.280 2.228 1.914 2.445 . 0 0 "[ . 1 . 2]" 1
228 1 12 ILE MG 1 26 LEU H . . 3.750 3.199 2.804 3.460 . 0 0 "[ . 1 . 2]" 1
229 1 12 ILE MG 1 26 LEU HG . . 3.720 2.121 1.987 2.281 . 0 0 "[ . 1 . 2]" 1
230 1 12 ILE MG 1 41 PHE QE . . 5.500 4.833 4.369 5.239 . 0 0 "[ . 1 . 2]" 1
231 1 13 LYS H 1 13 LYS HB2 . . 3.770 3.587 3.583 3.592 . 0 0 "[ . 1 . 2]" 1
232 1 13 LYS H 1 13 LYS HB3 . . 3.770 2.517 2.434 2.625 . 0 0 "[ . 1 . 2]" 1
233 1 13 LYS H 1 13 LYS HD2 . . 5.460 4.604 4.395 4.759 . 0 0 "[ . 1 . 2]" 1
234 1 13 LYS H 1 13 LYS QD . . 4.760 4.113 3.948 4.221 . 0 0 "[ . 1 . 2]" 1
235 1 13 LYS H 1 13 LYS HD3 . . 5.460 4.631 4.405 4.755 . 0 0 "[ . 1 . 2]" 1
236 1 13 LYS H 1 13 LYS HE2 . . 5.500 3.582 2.973 5.352 . 0 0 "[ . 1 . 2]" 1
237 1 13 LYS H 1 13 LYS HE3 . . 5.500 4.170 3.500 5.142 . 0 0 "[ . 1 . 2]" 1
238 1 13 LYS H 1 13 LYS HG2 . . 4.170 2.145 1.950 2.299 . 0 0 "[ . 1 . 2]" 1
239 1 13 LYS H 1 13 LYS HG3 . . 3.710 3.386 3.177 3.518 . 0 0 "[ . 1 . 2]" 1
240 1 13 LYS H 1 14 SER H . . 3.690 2.711 2.579 2.773 . 0 0 "[ . 1 . 2]" 1
241 1 13 LYS H 1 22 LYS HG2 . . 5.430 5.156 4.922 5.343 . 0 0 "[ . 1 . 2]" 1
242 1 13 LYS H 1 26 LEU MD1 . . 4.620 3.156 2.942 3.696 . 0 0 "[ . 1 . 2]" 1
243 1 13 LYS HA 1 13 LYS QD . . 4.730 4.458 4.409 4.508 . 0 0 "[ . 1 . 2]" 1
244 1 13 LYS HA 1 13 LYS HG2 . . 3.780 3.735 3.665 3.789 0.009 8 0 "[ . 1 . 2]" 1
245 1 13 LYS HA 1 13 LYS HG3 . . 4.100 3.772 3.718 3.851 . 0 0 "[ . 1 . 2]" 1
246 1 13 LYS HA 1 22 LYS QD . . 4.410 4.211 3.403 4.411 0.001 18 0 "[ . 1 . 2]" 1
247 1 13 LYS HA 1 26 LEU MD1 . . 4.450 3.038 2.633 3.676 . 0 0 "[ . 1 . 2]" 1
248 1 13 LYS QB 1 13 LYS QE . . 3.770 2.130 1.954 2.815 . 0 0 "[ . 1 . 2]" 1
249 1 13 LYS QB 1 26 LEU MD1 . . 3.610 2.180 1.954 2.636 . 0 0 "[ . 1 . 2]" 1
250 1 13 LYS HB2 1 14 SER H . . 4.130 3.828 3.748 3.868 . 0 0 "[ . 1 . 2]" 1
251 1 13 LYS HB3 1 14 SER H . . 4.130 3.980 3.922 4.077 . 0 0 "[ . 1 . 2]" 1
252 1 13 LYS QD 1 26 LEU MD1 . . 4.150 4.150 4.109 4.160 0.010 11 0 "[ . 1 . 2]" 1
253 1 13 LYS QD 1 26 LEU MD2 . . 5.130 4.850 4.659 5.130 . 0 0 "[ . 1 . 2]" 1
254 1 13 LYS QE 1 26 LEU MD1 . . 3.730 2.827 2.502 3.598 . 0 0 "[ . 1 . 2]" 1
255 1 13 LYS QE 1 26 LEU MD2 . . 4.280 3.166 2.802 3.695 . 0 0 "[ . 1 . 2]" 1
256 1 13 LYS HG2 1 26 LEU MD1 . . 4.640 3.960 3.597 4.391 . 0 0 "[ . 1 . 2]" 1
257 1 13 LYS HG2 1 26 LEU MD2 . . 5.240 4.270 3.637 4.934 . 0 0 "[ . 1 . 2]" 1
258 1 13 LYS HG3 1 14 SER H . . 3.730 2.445 2.309 2.708 . 0 0 "[ . 1 . 2]" 1
259 1 13 LYS HG3 1 15 SER H . . 5.020 4.782 4.667 5.024 0.004 11 0 "[ . 1 . 2]" 1
260 1 13 LYS HG3 1 26 LEU MD1 . . 5.500 4.800 4.560 5.260 . 0 0 "[ . 1 . 2]" 1
261 1 14 SER H 1 14 SER HB2 . . 4.020 2.683 2.283 3.051 . 0 0 "[ . 1 . 2]" 1
262 1 14 SER H 1 14 SER QB . . 3.500 2.288 2.155 2.388 . 0 0 "[ . 1 . 2]" 1
263 1 14 SER H 1 14 SER HB3 . . 4.020 2.568 2.203 3.560 . 0 0 "[ . 1 . 2]" 1
264 1 14 SER H 1 15 SER H . . 3.380 2.479 2.399 2.732 . 0 0 "[ . 1 . 2]" 1
265 1 14 SER H 1 15 SER HA . . 5.060 4.929 4.637 5.018 . 0 0 "[ . 1 . 2]" 1
266 1 14 SER QB 1 15 SER H . . 4.300 2.984 2.681 3.748 . 0 0 "[ . 1 . 2]" 1
267 1 15 SER H 1 15 SER HB2 . . 3.850 2.694 2.228 3.601 . 0 0 "[ . 1 . 2]" 1
268 1 15 SER H 1 15 SER QB . . 3.290 2.290 2.205 2.395 . 0 0 "[ . 1 . 2]" 1
269 1 15 SER H 1 15 SER HB3 . . 3.850 3.186 2.254 3.587 . 0 0 "[ . 1 . 2]" 1
270 1 15 SER H 1 15 SER HG . . 3.580 3.049 2.443 3.581 0.001 18 0 "[ . 1 . 2]" 1
271 1 15 SER H 1 22 LYS HE2 . . 5.100 4.180 2.817 5.099 . 0 0 "[ . 1 . 2]" 1
272 1 15 SER H 1 22 LYS QE . . 4.290 3.641 2.436 4.291 0.001 14 0 "[ . 1 . 2]" 1
273 1 15 SER H 1 22 LYS HE3 . . 5.100 4.320 2.453 5.100 . 0 0 "[ . 1 . 2]" 1
274 1 15 SER H 1 22 LYS HG2 . . 5.230 4.459 3.507 5.110 . 0 0 "[ . 1 . 2]" 1
275 1 15 SER H 1 49 LEU QD . . 5.190 4.467 3.814 5.109 . 0 0 "[ . 1 . 2]" 1
276 1 15 SER HA 1 16 LYS H . . 3.510 2.419 2.187 2.711 . 0 0 "[ . 1 . 2]" 1
277 1 15 SER HA 1 49 LEU QD . . 3.590 3.251 2.717 3.590 0.000 5 0 "[ . 1 . 2]" 1
278 1 15 SER QB 1 16 LYS H . . 3.410 2.481 1.935 3.060 . 0 0 "[ . 1 . 2]" 1
279 1 15 SER QB 1 17 LEU H . . 3.810 2.698 2.425 3.196 . 0 0 "[ . 1 . 2]" 1
280 1 15 SER QB 1 17 LEU QD . . 4.310 2.729 1.841 3.834 . 0 0 "[ . 1 . 2]" 1
281 1 15 SER QB 1 49 LEU QD . . 3.280 2.459 1.782 3.073 . 0 0 "[ . 1 . 2]" 1
282 1 15 SER HB2 1 16 LYS H . . 4.260 3.425 2.122 4.126 . 0 0 "[ . 1 . 2]" 1
283 1 15 SER HB3 1 16 LYS H . . 4.260 2.930 1.949 4.259 . 0 0 "[ . 1 . 2]" 1
284 1 16 LYS H 1 16 LYS QB . . 3.430 2.473 2.283 2.768 . 0 0 "[ . 1 . 2]" 1
285 1 16 LYS H 1 16 LYS QG . . 4.260 3.300 2.098 4.254 . 0 0 "[ . 1 . 2]" 1
286 1 16 LYS H 1 17 LEU H . . 3.980 2.668 2.167 2.941 . 0 0 "[ . 1 . 2]" 1
287 1 16 LYS H 1 49 LEU MD1 . . 4.750 3.826 2.596 4.755 0.005 6 0 "[ . 1 . 2]" 1
288 1 16 LYS H 1 49 LEU QD . . 4.130 3.431 2.520 4.051 . 0 0 "[ . 1 . 2]" 1
289 1 16 LYS H 1 49 LEU MD2 . . 4.750 4.311 3.225 4.752 0.002 13 0 "[ . 1 . 2]" 1
290 1 16 LYS HA 1 16 LYS HG2 . . 4.250 3.155 2.402 3.837 . 0 0 "[ . 1 . 2]" 1
291 1 16 LYS HA 1 16 LYS QG . . 3.680 2.592 2.214 3.342 . 0 0 "[ . 1 . 2]" 1
292 1 16 LYS HA 1 16 LYS HG3 . . 4.250 3.055 2.237 3.822 . 0 0 "[ . 1 . 2]" 1
293 1 16 LYS QB 1 17 LEU QD . . 4.630 4.212 2.883 4.561 . 0 0 "[ . 1 . 2]" 1
294 1 16 LYS HB2 1 17 LEU H . . 4.920 4.045 2.769 4.535 . 0 0 "[ . 1 . 2]" 1
295 1 16 LYS HB3 1 17 LEU H . . 4.920 4.163 3.521 4.617 . 0 0 "[ . 1 . 2]" 1
296 1 17 LEU H 1 17 LEU QB . . 3.210 2.275 2.075 2.457 . 0 0 "[ . 1 . 2]" 1
297 1 17 LEU H 1 17 LEU MD1 . . 4.590 3.369 2.170 4.105 . 0 0 "[ . 1 . 2]" 1
298 1 17 LEU H 1 17 LEU QD . . 3.970 2.806 2.157 3.398 . 0 0 "[ . 1 . 2]" 1
299 1 17 LEU H 1 17 LEU MD2 . . 4.590 3.446 2.278 4.315 . 0 0 "[ . 1 . 2]" 1
300 1 17 LEU H 1 17 LEU HG . . 4.170 3.069 2.252 4.170 0.000 8 0 "[ . 1 . 2]" 1
301 1 17 LEU H 1 48 ILE MG . . 5.500 5.259 4.300 5.504 0.004 6 0 "[ . 1 . 2]" 1
302 1 17 LEU H 1 49 LEU QD . . 4.550 4.103 3.490 4.551 0.001 11 0 "[ . 1 . 2]" 1
303 1 17 LEU H 1 52 GLN QG . . 5.130 4.972 4.233 5.133 0.003 8 0 "[ . 1 . 2]" 1
304 1 17 LEU HA 1 17 LEU MD1 . . 4.470 3.271 1.966 3.906 . 0 0 "[ . 1 . 2]" 1
305 1 17 LEU HA 1 17 LEU QD . . 3.350 2.191 1.865 2.875 . 0 0 "[ . 1 . 2]" 1
306 1 17 LEU HA 1 17 LEU MD2 . . 4.470 2.541 1.951 3.808 . 0 0 "[ . 1 . 2]" 1
307 1 17 LEU HA 1 17 LEU HG . . 4.140 2.947 2.207 3.675 . 0 0 "[ . 1 . 2]" 1
308 1 17 LEU HA 1 18 ASN H . . 3.530 3.171 2.332 3.557 0.027 6 0 "[ . 1 . 2]" 1
309 1 17 LEU QB 1 18 ASN H . . 3.800 2.118 1.927 2.669 . 0 0 "[ . 1 . 2]" 1
310 1 17 LEU QB 1 21 HIS H . . 4.850 4.575 4.110 4.851 0.001 13 0 "[ . 1 . 2]" 1
311 1 17 LEU QB 1 21 HIS HB2 . . 4.320 3.432 2.979 3.790 . 0 0 "[ . 1 . 2]" 1
312 1 17 LEU QB 1 21 HIS HB3 . . 4.700 2.502 2.050 3.170 . 0 0 "[ . 1 . 2]" 1
313 1 17 LEU QB 1 25 LEU MD1 . . 5.240 3.810 3.299 4.423 . 0 0 "[ . 1 . 2]" 1
314 1 17 LEU QB 1 48 ILE MG . . 4.480 3.684 3.284 4.170 . 0 0 "[ . 1 . 2]" 1
315 1 17 LEU HB2 1 18 ASN H . . 4.390 2.673 1.960 4.026 . 0 0 "[ . 1 . 2]" 1
316 1 17 LEU HB2 1 48 ILE MG . . 5.230 4.365 3.984 4.600 . 0 0 "[ . 1 . 2]" 1
317 1 17 LEU HB3 1 18 ASN H . . 4.390 2.555 2.136 2.843 . 0 0 "[ . 1 . 2]" 1
318 1 17 LEU HB3 1 48 ILE MG . . 5.230 4.052 3.409 4.914 . 0 0 "[ . 1 . 2]" 1
319 1 17 LEU QD 1 18 ASN H . . 4.280 3.507 2.218 3.752 . 0 0 "[ . 1 . 2]" 1
320 1 17 LEU QD 1 21 HIS HE1 . . 4.580 3.252 2.616 4.373 . 0 0 "[ . 1 . 2]" 1
321 1 17 LEU QD 1 25 LEU MD1 . . 3.810 2.652 1.825 3.789 . 0 0 "[ . 1 . 2]" 1
322 1 17 LEU QD 1 48 ILE HB . . 4.380 3.165 2.714 3.712 . 0 0 "[ . 1 . 2]" 1
323 1 17 LEU QD 1 48 ILE MD . . 4.020 2.916 1.872 3.719 . 0 0 "[ . 1 . 2]" 1
324 1 17 LEU QD 1 48 ILE MG . . 2.620 1.712 1.627 1.854 . 0 0 "[ . 1 . 2]" 1
325 1 17 LEU QD 1 49 LEU QD . . 2.990 2.068 1.692 2.989 . 0 0 "[ . 1 . 2]" 1
326 1 17 LEU QD 1 52 GLN QG . . 4.380 2.361 1.897 3.362 . 0 0 "[ . 1 . 2]" 1
327 1 17 LEU MD1 1 48 ILE MG . . 3.060 1.862 1.723 2.098 . 0 0 "[ . 1 . 2]" 1
328 1 17 LEU MD2 1 48 ILE MG . . 3.060 2.130 1.846 3.004 . 0 0 "[ . 1 . 2]" 1
329 1 17 LEU HG 1 18 ASN H . . 4.600 4.217 3.357 4.600 0.000 11 0 "[ . 1 . 2]" 1
330 1 17 LEU HG 1 48 ILE MG . . 3.650 3.151 2.094 3.652 0.002 7 0 "[ . 1 . 2]" 1
331 1 18 ASN H 1 18 ASN HB2 . . 3.960 3.019 2.181 3.910 . 0 0 "[ . 1 . 2]" 1
332 1 18 ASN H 1 18 ASN QB . . 3.470 2.774 2.160 3.438 . 0 0 "[ . 1 . 2]" 1
333 1 18 ASN H 1 18 ASN HB3 . . 3.960 3.478 2.729 3.829 . 0 0 "[ . 1 . 2]" 1
334 1 18 ASN H 1 19 ILE H . . 4.670 4.363 4.172 4.629 . 0 0 "[ . 1 . 2]" 1
335 1 18 ASN H 1 21 HIS H . . 4.600 4.197 4.015 4.421 . 0 0 "[ . 1 . 2]" 1
336 1 18 ASN H 1 21 HIS HB2 . . 4.340 3.779 3.118 4.366 0.026 11 0 "[ . 1 . 2]" 1
337 1 18 ASN H 1 21 HIS HB3 . . 4.270 3.099 2.664 3.764 . 0 0 "[ . 1 . 2]" 1
338 1 18 ASN H 1 22 LYS H . . 4.650 3.735 3.110 4.650 . 0 0 "[ . 1 . 2]" 1
339 1 18 ASN HA 1 19 ILE H . . 3.250 2.282 2.197 2.462 . 0 0 "[ . 1 . 2]" 1
340 1 18 ASN HA 1 20 ASP H . . 4.360 4.153 4.006 4.361 0.001 16 0 "[ . 1 . 2]" 1
341 1 18 ASN QB 1 19 ILE H . . 3.760 3.010 2.275 3.500 . 0 0 "[ . 1 . 2]" 1
342 1 18 ASN QB 1 20 ASP H . . 3.930 2.766 2.439 3.055 . 0 0 "[ . 1 . 2]" 1
343 1 18 ASN QB 1 21 HIS H . . 4.280 2.340 1.941 3.741 . 0 0 "[ . 1 . 2]" 1
344 1 18 ASN HB2 1 19 ILE H . . 4.330 3.921 2.426 4.295 . 0 0 "[ . 1 . 2]" 1
345 1 18 ASN HB2 1 20 ASP H . . 4.570 3.926 2.515 4.551 . 0 0 "[ . 1 . 2]" 1
346 1 18 ASN HB3 1 19 ILE H . . 4.330 3.231 2.303 3.740 . 0 0 "[ . 1 . 2]" 1
347 1 18 ASN HB3 1 20 ASP H . . 4.570 3.005 2.475 4.376 . 0 0 "[ . 1 . 2]" 1
348 1 19 ILE H 1 19 ILE HB . . 3.440 2.568 2.517 2.607 . 0 0 "[ . 1 . 2]" 1
349 1 19 ILE H 1 19 ILE MD . . 5.000 4.061 2.084 4.382 . 0 0 "[ . 1 . 2]" 1
350 1 19 ILE H 1 19 ILE HG12 . . 4.550 4.173 2.015 4.670 0.120 19 0 "[ . 1 . 2]" 1
351 1 19 ILE H 1 19 ILE HG13 . . 4.550 4.128 1.980 4.461 . 0 0 "[ . 1 . 2]" 1
352 1 19 ILE H 1 19 ILE MG . . 3.800 2.342 1.929 3.766 . 0 0 "[ . 1 . 2]" 1
353 1 19 ILE H 1 20 ASP H . . 3.850 2.735 2.626 2.793 . 0 0 "[ . 1 . 2]" 1
354 1 19 ILE H 1 21 HIS H . . 4.830 4.308 4.047 4.671 . 0 0 "[ . 1 . 2]" 1
355 1 19 ILE H 1 22 LYS QD . . 5.340 3.822 3.490 4.406 . 0 0 "[ . 1 . 2]" 1
356 1 19 ILE HA 1 19 ILE MD . . 3.830 3.410 1.972 3.831 0.001 11 0 "[ . 1 . 2]" 1
357 1 19 ILE HA 1 19 ILE QG . . 3.680 2.436 2.307 2.952 . 0 0 "[ . 1 . 2]" 1
358 1 19 ILE HA 1 22 LYS H . . 4.300 3.856 3.442 4.160 . 0 0 "[ . 1 . 2]" 1
359 1 19 ILE HA 1 22 LYS HB2 . . 4.570 3.051 2.135 3.390 . 0 0 "[ . 1 . 2]" 1
360 1 19 ILE HA 1 22 LYS QD . . 4.360 2.368 1.991 2.839 . 0 0 "[ . 1 . 2]" 1
361 1 19 ILE HA 1 22 LYS HG3 . . 4.430 4.133 3.634 4.431 0.001 10 0 "[ . 1 . 2]" 1
362 1 19 ILE HB 1 19 ILE MD . . 3.660 2.346 2.041 3.230 . 0 0 "[ . 1 . 2]" 1
363 1 19 ILE HB 1 20 ASP H . . 4.170 3.732 2.687 3.996 . 0 0 "[ . 1 . 2]" 1
364 1 19 ILE MD 1 20 ASP H . . 5.500 4.672 3.671 4.841 . 0 0 "[ . 1 . 2]" 1
365 1 19 ILE QG 1 19 ILE MG . . 3.280 2.178 1.933 2.313 . 0 0 "[ . 1 . 2]" 1
366 1 19 ILE QG 1 20 ASP H . . 4.390 3.738 3.592 4.356 . 0 0 "[ . 1 . 2]" 1
367 1 19 ILE MG 1 20 ASP H . . 3.610 2.405 1.915 3.615 0.005 11 0 "[ . 1 . 2]" 1
368 1 20 ASP H 1 20 ASP HB2 . . 4.100 2.562 2.193 3.622 . 0 0 "[ . 1 . 2]" 1
369 1 20 ASP H 1 20 ASP QB . . 3.260 2.307 2.171 2.625 . 0 0 "[ . 1 . 2]" 1
370 1 20 ASP H 1 20 ASP HB3 . . 4.100 2.912 2.341 3.621 . 0 0 "[ . 1 . 2]" 1
371 1 20 ASP H 1 21 HIS H . . 3.400 2.568 2.408 2.905 . 0 0 "[ . 1 . 2]" 1
372 1 20 ASP H 1 22 LYS H . . 4.320 4.186 4.011 4.320 . 0 0 "[ . 1 . 2]" 1
373 1 20 ASP H 1 22 LYS HB2 . . 5.500 5.243 4.867 5.403 . 0 0 "[ . 1 . 2]" 1
374 1 20 ASP H 1 22 LYS QD . . 5.340 4.915 4.510 5.342 0.002 4 0 "[ . 1 . 2]" 1
375 1 20 ASP HA 1 23 ASP QB . . 3.830 2.886 2.663 3.321 . 0 0 "[ . 1 . 2]" 1
376 1 20 ASP HB2 1 21 HIS H . . 4.350 3.390 2.417 3.985 . 0 0 "[ . 1 . 2]" 1
377 1 20 ASP HB3 1 21 HIS H . . 4.350 2.924 2.345 3.951 . 0 0 "[ . 1 . 2]" 1
378 1 21 HIS H 1 21 HIS HB2 . . 3.650 2.253 2.169 2.342 . 0 0 "[ . 1 . 2]" 1
379 1 21 HIS H 1 21 HIS HB3 . . 3.920 2.856 2.741 2.970 . 0 0 "[ . 1 . 2]" 1
380 1 21 HIS H 1 22 LYS H . . 3.520 2.747 2.583 2.863 . 0 0 "[ . 1 . 2]" 1
381 1 21 HIS H 1 22 LYS HG3 . . 5.220 4.461 4.294 4.633 . 0 0 "[ . 1 . 2]" 1
382 1 21 HIS HA 1 21 HIS HD2 . . 4.520 2.665 2.150 3.796 . 0 0 "[ . 1 . 2]" 1
383 1 21 HIS HA 1 24 TYR H . . 4.160 3.528 3.245 3.674 . 0 0 "[ . 1 . 2]" 1
384 1 21 HIS HA 1 24 TYR HB2 . . 4.860 3.640 3.402 3.813 . 0 0 "[ . 1 . 2]" 1
385 1 21 HIS HA 1 24 TYR HB3 . . 4.860 2.840 2.537 3.265 . 0 0 "[ . 1 . 2]" 1
386 1 21 HIS HB2 1 22 LYS H . . 4.070 3.528 3.386 3.636 . 0 0 "[ . 1 . 2]" 1
387 1 21 HIS HB3 1 22 LYS H . . 3.860 2.433 2.316 2.619 . 0 0 "[ . 1 . 2]" 1
388 1 21 HIS HB3 1 22 LYS HA . . 3.980 3.927 3.863 3.981 0.001 18 0 "[ . 1 . 2]" 1
389 1 21 HIS HD2 1 25 LEU H . . 4.740 3.574 3.058 4.179 . 0 0 "[ . 1 . 2]" 1
390 1 21 HIS HD2 1 25 LEU MD1 . . 4.500 2.727 2.017 3.348 . 0 0 "[ . 1 . 2]" 1
391 1 21 HIS HD2 1 25 LEU MD2 . . 3.610 3.189 2.908 3.609 . 0 0 "[ . 1 . 2]" 1
392 1 21 HIS HD2 1 25 LEU HG . . 4.020 2.160 2.000 2.551 . 0 0 "[ . 1 . 2]" 1
393 1 21 HIS HD2 1 48 ILE MD . . 5.230 4.237 3.464 4.952 . 0 0 "[ . 1 . 2]" 1
394 1 21 HIS HD2 1 48 ILE MG . . 5.500 5.087 3.569 5.501 0.001 11 0 "[ . 1 . 2]" 1
395 1 21 HIS HE1 1 48 ILE MD . . 4.970 3.078 2.049 4.645 . 0 0 "[ . 1 . 2]" 1
396 1 21 HIS HE1 1 48 ILE MG . . 4.540 3.002 1.964 4.540 0.000 8 0 "[ . 1 . 2]" 1
397 1 22 LYS H 1 22 LYS HB2 . . 3.820 2.537 2.458 2.618 . 0 0 "[ . 1 . 2]" 1
398 1 22 LYS H 1 22 LYS HB3 . . 3.610 3.589 3.587 3.593 . 0 0 "[ . 1 . 2]" 1
399 1 22 LYS H 1 22 LYS HD2 . . 4.850 4.001 3.206 4.450 . 0 0 "[ . 1 . 2]" 1
400 1 22 LYS H 1 22 LYS QD . . 4.240 3.268 3.091 3.534 . 0 0 "[ . 1 . 2]" 1
401 1 22 LYS H 1 22 LYS HD3 . . 4.850 3.602 3.194 4.185 . 0 0 "[ . 1 . 2]" 1
402 1 22 LYS H 1 22 LYS HG2 . . 4.050 3.575 3.454 3.736 . 0 0 "[ . 1 . 2]" 1
403 1 22 LYS H 1 22 LYS HG3 . . 3.480 2.117 1.959 2.283 . 0 0 "[ . 1 . 2]" 1
404 1 22 LYS H 1 23 ASP H . . 3.600 2.809 2.720 2.879 . 0 0 "[ . 1 . 2]" 1
405 1 22 LYS H 1 24 TYR H . . 4.310 4.107 3.955 4.215 . 0 0 "[ . 1 . 2]" 1
406 1 22 LYS HA 1 22 LYS HG2 . . 4.170 2.807 2.644 2.911 . 0 0 "[ . 1 . 2]" 1
407 1 22 LYS HA 1 25 LEU H . . 4.570 3.530 3.260 3.768 . 0 0 "[ . 1 . 2]" 1
408 1 22 LYS HA 1 25 LEU QB . . 4.300 2.767 2.549 3.018 . 0 0 "[ . 1 . 2]" 1
409 1 22 LYS HA 1 25 LEU MD1 . . 4.200 2.761 2.626 2.895 . 0 0 "[ . 1 . 2]" 1
410 1 22 LYS HB2 1 23 ASP H . . 4.010 2.447 2.382 2.632 . 0 0 "[ . 1 . 2]" 1
411 1 22 LYS HB2 1 24 TYR H . . 4.960 4.863 4.787 4.960 . 0 0 "[ . 1 . 2]" 1
412 1 22 LYS HB3 1 23 ASP H . . 3.680 3.520 3.435 3.597 . 0 0 "[ . 1 . 2]" 1
413 1 22 LYS HB3 1 24 TYR H . . 5.500 5.440 5.340 5.506 0.006 11 0 "[ . 1 . 2]" 1
414 1 22 LYS HB3 1 25 LEU MD1 . . 4.810 4.755 4.475 4.811 0.001 8 0 "[ . 1 . 2]" 1
415 1 22 LYS HG3 1 23 ASP H . . 4.890 4.278 4.143 4.447 . 0 0 "[ . 1 . 2]" 1
416 1 23 ASP H 1 23 ASP HB2 . . 3.520 2.440 2.206 2.777 . 0 0 "[ . 1 . 2]" 1
417 1 23 ASP H 1 23 ASP QB . . 3.070 2.212 2.144 2.258 . 0 0 "[ . 1 . 2]" 1
418 1 23 ASP H 1 23 ASP HB3 . . 3.520 2.674 2.307 3.508 . 0 0 "[ . 1 . 2]" 1
419 1 23 ASP H 1 24 TYR H . . 3.680 2.710 2.554 2.767 . 0 0 "[ . 1 . 2]" 1
420 1 23 ASP H 1 26 LEU H . . 4.830 4.776 4.706 4.829 . 0 0 "[ . 1 . 2]" 1
421 1 23 ASP HA 1 26 LEU H . . 4.540 3.671 3.502 3.732 . 0 0 "[ . 1 . 2]" 1
422 1 23 ASP HA 1 26 LEU HB2 . . 4.340 2.804 2.723 2.956 . 0 0 "[ . 1 . 2]" 1
423 1 23 ASP HA 1 26 LEU QB . . 3.630 2.768 2.696 2.909 . 0 0 "[ . 1 . 2]" 1
424 1 23 ASP HA 1 26 LEU HB3 . . 4.340 4.287 4.026 4.343 0.003 8 0 "[ . 1 . 2]" 1
425 1 23 ASP HA 1 26 LEU MD1 . . 3.540 3.457 3.296 3.543 0.003 11 0 "[ . 1 . 2]" 1
426 1 23 ASP HA 1 26 LEU HG . . 5.190 4.488 3.991 4.992 . 0 0 "[ . 1 . 2]" 1
427 1 23 ASP HA 1 27 ASP QB . . 4.560 4.254 4.190 4.369 . 0 0 "[ . 1 . 2]" 1
428 1 23 ASP QB 1 24 TYR H . . 3.650 2.686 2.595 2.772 . 0 0 "[ . 1 . 2]" 1
429 1 24 TYR H 1 24 TYR HB2 . . 3.550 2.613 2.505 2.702 . 0 0 "[ . 1 . 2]" 1
430 1 24 TYR H 1 24 TYR QB . . 3.060 2.257 2.240 2.266 . 0 0 "[ . 1 . 2]" 1
431 1 24 TYR H 1 24 TYR HB3 . . 3.550 2.474 2.391 2.576 . 0 0 "[ . 1 . 2]" 1
432 1 24 TYR H 1 24 TYR QD . . 4.400 4.198 4.187 4.206 . 0 0 "[ . 1 . 2]" 1
433 1 24 TYR H 1 25 LEU H . . 3.760 2.648 2.557 2.690 . 0 0 "[ . 1 . 2]" 1
434 1 24 TYR H 1 25 LEU HG . . 4.650 4.589 4.407 4.652 0.002 4 0 "[ . 1 . 2]" 1
435 1 24 TYR HA 1 24 TYR QD . . 4.160 2.428 2.132 2.724 . 0 0 "[ . 1 . 2]" 1
436 1 24 TYR HA 1 27 ASP HB2 . . 4.410 3.422 3.257 3.571 . 0 0 "[ . 1 . 2]" 1
437 1 24 TYR HA 1 27 ASP QB . . 3.650 2.422 2.308 2.509 . 0 0 "[ . 1 . 2]" 1
438 1 24 TYR HA 1 27 ASP HB3 . . 4.410 2.479 2.350 2.605 . 0 0 "[ . 1 . 2]" 1
439 1 24 TYR HA 1 28 LEU H . . 4.650 3.885 3.750 4.026 . 0 0 "[ . 1 . 2]" 1
440 1 24 TYR QB 1 25 LEU H . . 3.680 2.403 2.304 2.683 . 0 0 "[ . 1 . 2]" 1
441 1 24 TYR QB 1 25 LEU MD2 . . 4.540 4.095 3.840 4.458 . 0 0 "[ . 1 . 2]" 1
442 1 24 TYR QD 1 25 LEU H . . 4.680 3.567 3.181 4.077 . 0 0 "[ . 1 . 2]" 1
443 1 24 TYR QD 1 25 LEU MD2 . . 4.180 3.179 2.550 3.717 . 0 0 "[ . 1 . 2]" 1
444 1 24 TYR QD 1 25 LEU HG . . 4.160 3.375 2.736 3.937 . 0 0 "[ . 1 . 2]" 1
445 1 24 TYR QD 1 28 LEU MD2 . . 4.410 2.939 2.410 3.236 . 0 0 "[ . 1 . 2]" 1
446 1 24 TYR QE 1 25 LEU MD2 . . 4.240 3.897 3.462 4.226 . 0 0 "[ . 1 . 2]" 1
447 1 24 TYR QE 1 28 LEU MD2 . . 3.730 2.817 2.475 3.141 . 0 0 "[ . 1 . 2]" 1
448 1 25 LEU H 1 25 LEU HB2 . . 4.110 2.420 2.304 2.530 . 0 0 "[ . 1 . 2]" 1
449 1 25 LEU H 1 25 LEU QB . . 3.320 2.383 2.277 2.481 . 0 0 "[ . 1 . 2]" 1
450 1 25 LEU H 1 25 LEU HB3 . . 4.110 3.575 3.555 3.585 . 0 0 "[ . 1 . 2]" 1
451 1 25 LEU H 1 25 LEU MD1 . . 4.180 3.545 3.258 3.763 . 0 0 "[ . 1 . 2]" 1
452 1 25 LEU H 1 25 LEU MD2 . . 4.130 3.495 3.364 3.695 . 0 0 "[ . 1 . 2]" 1
453 1 25 LEU H 1 25 LEU HG . . 3.370 2.364 2.151 2.636 . 0 0 "[ . 1 . 2]" 1
454 1 25 LEU H 1 26 LEU H . . 3.790 2.684 2.561 2.766 . 0 0 "[ . 1 . 2]" 1
455 1 25 LEU H 1 26 LEU HG . . 5.500 4.998 4.634 5.479 . 0 0 "[ . 1 . 2]" 1
456 1 25 LEU H 1 27 ASP H . . 4.490 4.068 3.952 4.099 . 0 0 "[ . 1 . 2]" 1
457 1 25 LEU HA 1 25 LEU MD1 . . 4.170 3.873 3.825 3.906 . 0 0 "[ . 1 . 2]" 1
458 1 25 LEU HA 1 25 LEU MD2 . . 3.150 2.125 1.958 2.312 . 0 0 "[ . 1 . 2]" 1
459 1 25 LEU HA 1 28 LEU MD1 . . 4.060 3.314 2.903 3.497 . 0 0 "[ . 1 . 2]" 1
460 1 25 LEU HA 1 28 LEU MD2 . . 3.120 1.996 1.939 2.188 . 0 0 "[ . 1 . 2]" 1
461 1 25 LEU HA 1 28 LEU HG . . 4.100 2.522 2.410 2.688 . 0 0 "[ . 1 . 2]" 1
462 1 25 LEU HA 1 41 PHE QE . . 4.340 2.800 2.481 3.224 . 0 0 "[ . 1 . 2]" 1
463 1 25 LEU QB 1 26 LEU H . . 3.700 2.657 2.568 2.675 . 0 0 "[ . 1 . 2]" 1
464 1 25 LEU QB 1 28 LEU MD2 . . 4.110 3.743 3.628 3.941 . 0 0 "[ . 1 . 2]" 1
465 1 25 LEU QB 1 41 PHE QE . . 4.490 3.190 2.843 3.469 . 0 0 "[ . 1 . 2]" 1
466 1 25 LEU QB 1 41 PHE HZ . . 4.370 2.043 1.991 2.307 . 0 0 "[ . 1 . 2]" 1
467 1 25 LEU MD1 1 44 MET ME . . 5.500 4.057 3.483 4.896 . 0 0 "[ . 1 . 2]" 1
468 1 25 LEU MD1 1 45 LEU MD1 . . 4.050 3.833 3.443 4.049 . 0 0 "[ . 1 . 2]" 1
469 1 25 LEU MD1 1 45 LEU MD2 . . 3.200 3.190 3.050 3.201 0.001 7 0 "[ . 1 . 2]" 1
470 1 25 LEU MD1 1 48 ILE HB . . 4.720 4.322 3.834 4.603 . 0 0 "[ . 1 . 2]" 1
471 1 25 LEU MD1 1 48 ILE MD . . 3.450 2.550 2.188 3.073 . 0 0 "[ . 1 . 2]" 1
472 1 25 LEU MD1 1 48 ILE MG . . 4.300 3.492 2.721 3.935 . 0 0 "[ . 1 . 2]" 1
473 1 25 LEU MD2 1 41 PHE QE . . 3.990 2.125 2.004 2.358 . 0 0 "[ . 1 . 2]" 1
474 1 25 LEU MD2 1 41 PHE HZ . . 4.100 2.484 2.236 2.849 . 0 0 "[ . 1 . 2]" 1
475 1 25 LEU MD2 1 44 MET ME . . 3.290 2.415 1.928 3.285 . 0 0 "[ . 1 . 2]" 1
476 1 25 LEU MD2 1 45 LEU HB2 . . 5.500 4.501 4.079 4.896 . 0 0 "[ . 1 . 2]" 1
477 1 25 LEU MD2 1 45 LEU HG . . 3.760 3.407 2.864 3.758 . 0 0 "[ . 1 . 2]" 1
478 1 26 LEU H 1 26 LEU HB2 . . 3.890 2.260 2.125 2.351 . 0 0 "[ . 1 . 2]" 1
479 1 26 LEU H 1 26 LEU QB . . 3.220 2.235 2.106 2.321 . 0 0 "[ . 1 . 2]" 1
480 1 26 LEU H 1 26 LEU HB3 . . 3.890 3.531 3.425 3.578 . 0 0 "[ . 1 . 2]" 1
481 1 26 LEU H 1 26 LEU HG . . 3.440 2.860 2.609 3.267 . 0 0 "[ . 1 . 2]" 1
482 1 26 LEU H 1 27 ASP H . . 3.540 2.428 2.410 2.451 . 0 0 "[ . 1 . 2]" 1
483 1 26 LEU HA 1 26 LEU MD2 . . 3.210 2.034 1.951 2.263 . 0 0 "[ . 1 . 2]" 1
484 1 26 LEU HA 1 26 LEU HG . . 3.820 2.938 2.691 3.095 . 0 0 "[ . 1 . 2]" 1
485 1 26 LEU HA 1 29 LEU H . . 4.130 3.457 3.354 3.526 . 0 0 "[ . 1 . 2]" 1
486 1 26 LEU HA 1 29 LEU HB2 . . 4.340 3.403 3.274 3.577 . 0 0 "[ . 1 . 2]" 1
487 1 26 LEU HA 1 29 LEU HB3 . . 3.960 2.361 2.172 2.521 . 0 0 "[ . 1 . 2]" 1
488 1 26 LEU QB 1 26 LEU MD1 . . 2.940 2.073 2.055 2.099 . 0 0 "[ . 1 . 2]" 1
489 1 26 LEU QB 1 26 LEU MD2 . . 3.270 2.280 2.172 2.319 . 0 0 "[ . 1 . 2]" 1
490 1 26 LEU QB 1 27 ASP H . . 3.390 2.706 2.672 2.764 . 0 0 "[ . 1 . 2]" 1
491 1 26 LEU QB 1 27 ASP HA . . 5.230 3.865 3.813 3.886 . 0 0 "[ . 1 . 2]" 1
492 1 26 LEU QB 1 28 LEU H . . 5.340 4.832 4.809 4.843 . 0 0 "[ . 1 . 2]" 1
493 1 26 LEU HB2 1 26 LEU MD1 . . 3.400 2.370 2.269 2.416 . 0 0 "[ . 1 . 2]" 1
494 1 26 LEU HB2 1 27 ASP H . . 4.050 2.819 2.748 2.967 . 0 0 "[ . 1 . 2]" 1
495 1 26 LEU HB3 1 26 LEU MD1 . . 3.400 2.295 2.235 2.439 . 0 0 "[ . 1 . 2]" 1
496 1 26 LEU HB3 1 27 ASP H . . 4.050 3.522 3.299 3.646 . 0 0 "[ . 1 . 2]" 1
497 1 26 LEU MD1 1 27 ASP H . . 5.400 4.716 4.687 4.758 . 0 0 "[ . 1 . 2]" 1
498 1 26 LEU MD2 1 27 ASP H . . 5.360 4.662 4.582 4.700 . 0 0 "[ . 1 . 2]" 1
499 1 26 LEU MD2 1 29 LEU H . . 4.910 4.844 4.687 4.913 0.003 14 0 "[ . 1 . 2]" 1
500 1 26 LEU MD2 1 30 ASN H . . 5.240 4.799 4.204 5.190 . 0 0 "[ . 1 . 2]" 1
501 1 27 ASP H 1 27 ASP HB2 . . 3.590 2.613 2.478 2.668 . 0 0 "[ . 1 . 2]" 1
502 1 27 ASP H 1 27 ASP QB . . 3.000 2.249 2.237 2.255 . 0 0 "[ . 1 . 2]" 1
503 1 27 ASP H 1 27 ASP HB3 . . 3.590 2.457 2.402 2.583 . 0 0 "[ . 1 . 2]" 1
504 1 27 ASP H 1 28 LEU H . . 3.360 2.700 2.664 2.754 . 0 0 "[ . 1 . 2]" 1
505 1 27 ASP H 1 28 LEU HB3 . . 5.200 5.120 5.062 5.206 0.006 8 0 "[ . 1 . 2]" 1
506 1 27 ASP H 1 28 LEU MD2 . . 4.870 4.601 4.501 4.705 . 0 0 "[ . 1 . 2]" 1
507 1 27 ASP H 1 29 LEU H . . 4.150 4.013 3.978 4.055 . 0 0 "[ . 1 . 2]" 1
508 1 27 ASP H 1 29 LEU HB3 . . 5.150 4.920 4.853 5.063 . 0 0 "[ . 1 . 2]" 1
509 1 27 ASP H 1 30 ASN H . . 4.930 4.797 4.627 4.864 . 0 0 "[ . 1 . 2]" 1
510 1 27 ASP HA 1 30 ASN H . . 4.390 3.832 3.655 3.942 . 0 0 "[ . 1 . 2]" 1
511 1 27 ASP HA 1 30 ASN HB2 . . 4.010 3.895 2.769 4.013 0.003 11 0 "[ . 1 . 2]" 1
512 1 27 ASP HA 1 30 ASN QB . . 3.490 3.217 2.722 3.317 . 0 0 "[ . 1 . 2]" 1
513 1 27 ASP HA 1 30 ASN HB3 . . 4.010 3.497 3.332 4.020 0.010 8 0 "[ . 1 . 2]" 1
514 1 27 ASP HA 1 30 ASN HD21 . . 4.320 4.294 4.169 4.324 0.004 11 0 "[ . 1 . 2]" 1
515 1 27 ASP HB2 1 28 LEU H . . 3.920 3.881 3.806 3.919 . 0 0 "[ . 1 . 2]" 1
516 1 27 ASP HB3 1 28 LEU H . . 3.920 2.531 2.496 2.556 . 0 0 "[ . 1 . 2]" 1
517 1 28 LEU H 1 28 LEU HB2 . . 3.630 3.600 3.590 3.611 . 0 0 "[ . 1 . 2]" 1
518 1 28 LEU H 1 28 LEU HB3 . . 3.770 2.552 2.498 2.643 . 0 0 "[ . 1 . 2]" 1
519 1 28 LEU H 1 28 LEU MD2 . . 4.010 3.064 2.995 3.161 . 0 0 "[ . 1 . 2]" 1
520 1 28 LEU H 1 28 LEU HG . . 3.620 2.230 2.032 2.343 . 0 0 "[ . 1 . 2]" 1
521 1 28 LEU H 1 29 LEU H . . 3.540 2.514 2.453 2.557 . 0 0 "[ . 1 . 2]" 1
522 1 28 LEU H 1 30 ASN H . . 4.170 4.049 3.998 4.091 . 0 0 "[ . 1 . 2]" 1
523 1 28 LEU HA 1 28 LEU MD1 . . 4.280 3.575 3.494 3.633 . 0 0 "[ . 1 . 2]" 1
524 1 28 LEU HA 1 31 ASP HB2 . . 4.340 3.601 2.887 4.268 . 0 0 "[ . 1 . 2]" 1
525 1 28 LEU HA 1 31 ASP QB . . 3.810 3.052 2.846 3.597 . 0 0 "[ . 1 . 2]" 1
526 1 28 LEU HA 1 31 ASP HB3 . . 4.340 3.706 3.065 4.344 0.004 11 0 "[ . 1 . 2]" 1
527 1 28 LEU HB2 1 28 LEU MD1 . . 3.550 2.030 2.004 2.104 . 0 0 "[ . 1 . 2]" 1
528 1 28 LEU HB2 1 30 ASN H . . 5.500 5.503 5.496 5.516 0.016 11 0 "[ . 1 . 2]" 1
529 1 28 LEU HB2 1 41 PHE QD . . 5.500 5.272 5.050 5.502 0.002 6 0 "[ . 1 . 2]" 1
530 1 28 LEU HB2 1 41 PHE QE . . 5.080 5.066 4.952 5.094 0.014 12 0 "[ . 1 . 2]" 1
531 1 28 LEU HB3 1 28 LEU MD1 . . 3.650 3.110 3.101 3.124 . 0 0 "[ . 1 . 2]" 1
532 1 28 LEU HB3 1 28 LEU MD2 . . 3.410 2.139 2.076 2.189 . 0 0 "[ . 1 . 2]" 1
533 1 28 LEU HB3 1 29 LEU H . . 4.620 3.870 3.836 3.957 . 0 0 "[ . 1 . 2]" 1
534 1 28 LEU MD1 1 29 LEU H . . 4.290 2.526 2.460 2.700 . 0 0 "[ . 1 . 2]" 1
535 1 28 LEU MD1 1 29 LEU HA . . 4.380 2.537 2.461 2.706 . 0 0 "[ . 1 . 2]" 1
536 1 28 LEU MD1 1 29 LEU QD . . 4.440 3.250 3.036 3.654 . 0 0 "[ . 1 . 2]" 1
537 1 28 LEU MD1 1 31 ASP H . . 5.080 4.883 4.789 5.038 . 0 0 "[ . 1 . 2]" 1
538 1 28 LEU MD1 1 41 PHE QB . . 4.650 3.557 3.339 3.956 . 0 0 "[ . 1 . 2]" 1
539 1 28 LEU MD1 1 41 PHE QD . . 3.640 2.277 1.980 2.747 . 0 0 "[ . 1 . 2]" 1
540 1 28 LEU MD1 1 41 PHE QE . . 3.960 2.199 2.043 2.501 . 0 0 "[ . 1 . 2]" 1
541 1 28 LEU MD1 1 41 PHE HZ . . 4.480 3.497 3.065 3.704 . 0 0 "[ . 1 . 2]" 1
542 1 28 LEU MD1 1 44 MET ME . . 3.940 3.509 3.077 3.939 . 0 0 "[ . 1 . 2]" 1
543 1 28 LEU MD2 1 29 LEU HB2 . . 4.680 4.659 4.593 4.684 0.004 8 0 "[ . 1 . 2]" 1
544 1 28 LEU MD2 1 41 PHE QE . . 4.050 2.295 1.965 2.720 . 0 0 "[ . 1 . 2]" 1
545 1 28 LEU MD2 1 41 PHE HZ . . 4.900 4.070 3.701 4.391 . 0 0 "[ . 1 . 2]" 1
546 1 28 LEU MD2 1 44 MET ME . . 4.060 3.176 2.678 3.757 . 0 0 "[ . 1 . 2]" 1
547 1 28 LEU HG 1 29 LEU H . . 4.390 1.996 1.959 2.147 . 0 0 "[ . 1 . 2]" 1
548 1 28 LEU HG 1 29 LEU QD . . 5.440 4.571 4.514 4.627 . 0 0 "[ . 1 . 2]" 1
549 1 28 LEU HG 1 30 ASN H . . 4.650 4.612 4.556 4.647 . 0 0 "[ . 1 . 2]" 1
550 1 28 LEU HG 1 41 PHE QE . . 4.140 3.368 3.109 3.926 . 0 0 "[ . 1 . 2]" 1
551 1 28 LEU HG 1 41 PHE HZ . . 4.910 4.374 3.937 4.592 . 0 0 "[ . 1 . 2]" 1
552 1 29 LEU H 1 29 LEU HB2 . . 3.360 2.555 2.452 2.617 . 0 0 "[ . 1 . 2]" 1
553 1 29 LEU H 1 29 LEU HB3 . . 3.250 2.453 2.393 2.553 . 0 0 "[ . 1 . 2]" 1
554 1 29 LEU H 1 29 LEU MD1 . . 4.650 4.110 4.033 4.184 . 0 0 "[ . 1 . 2]" 1
555 1 29 LEU H 1 29 LEU QD . . 4.030 3.694 3.666 3.723 . 0 0 "[ . 1 . 2]" 1
556 1 29 LEU H 1 29 LEU MD2 . . 4.650 4.187 4.125 4.226 . 0 0 "[ . 1 . 2]" 1
557 1 29 LEU H 1 29 LEU HG . . 4.690 4.439 4.408 4.467 . 0 0 "[ . 1 . 2]" 1
558 1 29 LEU H 1 30 ASN H . . 3.770 2.704 2.590 2.728 . 0 0 "[ . 1 . 2]" 1
559 1 29 LEU H 1 31 ASP H . . 4.720 4.163 4.126 4.198 . 0 0 "[ . 1 . 2]" 1
560 1 29 LEU H 1 41 PHE QE . . 4.800 4.458 4.208 4.784 . 0 0 "[ . 1 . 2]" 1
561 1 29 LEU H 1 41 PHE HZ . . 4.940 4.793 4.592 4.940 0.000 10 0 "[ . 1 . 2]" 1
562 1 29 LEU HA 1 29 LEU QD . . 3.400 2.396 2.045 3.096 . 0 0 "[ . 1 . 2]" 1
563 1 29 LEU HA 1 32 VAL H . . 4.480 3.803 3.558 3.936 . 0 0 "[ . 1 . 2]" 1
564 1 29 LEU HA 1 32 VAL HB . . 4.120 2.431 2.200 2.566 . 0 0 "[ . 1 . 2]" 1
565 1 29 LEU HA 1 32 VAL MG1 . . 3.420 3.396 3.267 3.421 0.001 10 0 "[ . 1 . 2]" 1
566 1 29 LEU HA 1 32 VAL MG2 . . 5.040 3.666 3.439 3.833 . 0 0 "[ . 1 . 2]" 1
567 1 29 LEU HA 1 41 PHE QE . . 5.000 4.692 4.570 4.911 . 0 0 "[ . 1 . 2]" 1
568 1 29 LEU HB2 1 30 ASN H . . 4.270 3.992 3.922 4.029 . 0 0 "[ . 1 . 2]" 1
569 1 29 LEU HB2 1 41 PHE QE . . 4.610 3.466 3.269 3.549 . 0 0 "[ . 1 . 2]" 1
570 1 29 LEU HB2 1 41 PHE HZ . . 4.660 3.314 3.182 3.473 . 0 0 "[ . 1 . 2]" 1
571 1 29 LEU HB3 1 30 ASN H . . 3.750 2.740 2.710 2.774 . 0 0 "[ . 1 . 2]" 1
572 1 29 LEU HB3 1 41 PHE QE . . 5.500 4.756 4.583 4.838 . 0 0 "[ . 1 . 2]" 1
573 1 29 LEU HB3 1 41 PHE HZ . . 4.680 4.658 4.537 4.687 0.007 11 0 "[ . 1 . 2]" 1
574 1 29 LEU QD 1 32 VAL HB . . 4.430 3.448 2.959 4.096 . 0 0 "[ . 1 . 2]" 1
575 1 29 LEU QD 1 32 VAL MG1 . . 3.650 2.981 2.563 3.419 . 0 0 "[ . 1 . 2]" 1
576 1 29 LEU QD 1 38 LEU QD . . 3.240 2.583 1.952 3.242 0.002 11 0 "[ . 1 . 2]" 1
577 1 29 LEU QD 1 41 PHE QD . . 4.080 2.950 2.552 3.265 . 0 0 "[ . 1 . 2]" 1
578 1 29 LEU QD 1 41 PHE QE . . 4.040 2.578 2.115 3.014 . 0 0 "[ . 1 . 2]" 1
579 1 29 LEU MD1 1 41 PHE QD . . 5.180 2.988 2.585 3.338 . 0 0 "[ . 1 . 2]" 1
580 1 29 LEU MD1 1 41 PHE QE . . 4.730 2.730 2.127 3.232 . 0 0 "[ . 1 . 2]" 1
581 1 29 LEU MD2 1 41 PHE QD . . 5.180 4.631 3.935 5.180 . 0 0 "[ . 1 . 2]" 1
582 1 29 LEU MD2 1 41 PHE QE . . 4.730 3.427 2.794 4.580 . 0 0 "[ . 1 . 2]" 1
583 1 29 LEU HG 1 32 VAL MG1 . . 3.720 3.550 3.139 3.721 0.001 10 0 "[ . 1 . 2]" 1
584 1 30 ASN H 1 30 ASN HB2 . . 3.540 2.513 2.069 2.605 . 0 0 "[ . 1 . 2]" 1
585 1 30 ASN H 1 30 ASN QB . . 3.070 2.247 2.049 2.276 . 0 0 "[ . 1 . 2]" 1
586 1 30 ASN H 1 30 ASN HB3 . . 3.540 2.599 2.479 3.309 . 0 0 "[ . 1 . 2]" 1
587 1 30 ASN H 1 31 ASP H . . 3.440 2.542 2.481 2.658 . 0 0 "[ . 1 . 2]" 1
588 1 30 ASN H 1 32 VAL HB . . 5.400 4.890 4.809 4.962 . 0 0 "[ . 1 . 2]" 1
589 1 30 ASN H 1 32 VAL MG1 . . 5.500 4.794 4.677 4.909 . 0 0 "[ . 1 . 2]" 1
590 1 30 ASN QB 1 31 ASP H . . 3.890 2.691 2.672 2.808 . 0 0 "[ . 1 . 2]" 1
591 1 30 ASN QB 1 32 VAL H . . 5.090 4.562 4.464 4.592 . 0 0 "[ . 1 . 2]" 1
592 1 31 ASP H 1 31 ASP HB2 . . 3.860 2.460 2.287 2.716 . 0 0 "[ . 1 . 2]" 1
593 1 31 ASP H 1 31 ASP QB . . 3.230 2.328 2.261 2.395 . 0 0 "[ . 1 . 2]" 1
594 1 31 ASP H 1 31 ASP HB3 . . 3.860 3.096 2.658 3.554 . 0 0 "[ . 1 . 2]" 1
595 1 31 ASP H 1 32 VAL H . . 3.320 2.733 2.678 2.777 . 0 0 "[ . 1 . 2]" 1
596 1 31 ASP H 1 32 VAL HA . . 5.280 4.625 4.549 4.699 . 0 0 "[ . 1 . 2]" 1
597 1 31 ASP H 1 32 VAL HB . . 4.640 4.482 4.395 4.574 . 0 0 "[ . 1 . 2]" 1
598 1 31 ASP H 1 32 VAL MG1 . . 4.410 4.376 4.211 4.415 0.005 16 0 "[ . 1 . 2]" 1
599 1 32 VAL H 1 32 VAL HB . . 3.320 2.560 2.504 2.600 . 0 0 "[ . 1 . 2]" 1
600 1 32 VAL H 1 32 VAL MG1 . . 3.340 2.076 1.933 2.128 . 0 0 "[ . 1 . 2]" 1
601 1 32 VAL H 1 32 VAL MG2 . . 3.970 3.769 3.762 3.776 . 0 0 "[ . 1 . 2]" 1
602 1 32 VAL HA 1 32 VAL MG1 . . 3.380 3.195 3.189 3.202 . 0 0 "[ . 1 . 2]" 1
603 1 32 VAL HA 1 32 VAL MG2 . . 3.350 2.225 2.185 2.292 . 0 0 "[ . 1 . 2]" 1
604 1 32 VAL HA 1 33 LYS H . . 3.170 2.182 2.148 2.230 . 0 0 "[ . 1 . 2]" 1
605 1 32 VAL HA 1 33 LYS QB . . 5.020 4.219 3.931 4.516 . 0 0 "[ . 1 . 2]" 1
606 1 32 VAL HA 1 37 ASP HB2 . . 5.500 5.389 4.996 5.501 0.001 16 0 "[ . 1 . 2]" 1
607 1 32 VAL HA 1 37 ASP HB3 . . 5.500 4.990 4.232 5.498 . 0 0 "[ . 1 . 2]" 1
608 1 32 VAL HA 1 38 LEU QD . . 5.220 4.841 4.412 5.218 . 0 0 "[ . 1 . 2]" 1
609 1 32 VAL HB 1 33 LYS H . . 4.770 4.149 4.051 4.205 . 0 0 "[ . 1 . 2]" 1
610 1 32 VAL HB 1 38 LEU HB2 . . 5.500 5.342 4.078 5.504 0.004 8 0 "[ . 1 . 2]" 1
611 1 32 VAL HB 1 38 LEU QD . . 4.000 3.519 2.907 4.000 0.000 6 0 "[ . 1 . 2]" 1
612 1 32 VAL MG1 1 33 LYS H . . 4.300 3.846 3.681 4.013 . 0 0 "[ . 1 . 2]" 1
613 1 32 VAL MG1 1 34 GLY H . . 4.600 4.392 3.846 4.600 0.000 6 0 "[ . 1 . 2]" 1
614 1 32 VAL MG1 1 38 LEU HA . . 4.440 4.113 3.870 4.334 . 0 0 "[ . 1 . 2]" 1
615 1 32 VAL MG1 1 38 LEU HB2 . . 3.860 3.665 2.780 3.862 0.002 11 0 "[ . 1 . 2]" 1
616 1 32 VAL MG1 1 38 LEU QD . . 3.370 1.961 1.808 2.236 . 0 0 "[ . 1 . 2]" 1
617 1 32 VAL MG1 1 38 LEU HG . . 4.170 3.265 2.256 4.175 0.005 12 0 "[ . 1 . 2]" 1
618 1 32 VAL MG1 1 41 PHE QB . . 5.340 5.256 5.026 5.340 0.000 6 0 "[ . 1 . 2]" 1
619 1 32 VAL MG2 1 33 LYS H . . 3.980 2.323 2.056 2.561 . 0 0 "[ . 1 . 2]" 1
620 1 32 VAL MG2 1 34 GLY H . . 4.160 3.849 3.374 4.134 . 0 0 "[ . 1 . 2]" 1
621 1 32 VAL MG2 1 37 ASP HB2 . . 3.990 3.264 2.769 3.737 . 0 0 "[ . 1 . 2]" 1
622 1 32 VAL MG2 1 37 ASP QB . . 3.330 2.697 2.123 3.163 . 0 0 "[ . 1 . 2]" 1
623 1 32 VAL MG2 1 37 ASP HB3 . . 3.990 2.997 2.143 3.684 . 0 0 "[ . 1 . 2]" 1
624 1 32 VAL MG2 1 38 LEU H . . 3.680 3.259 2.957 3.520 . 0 0 "[ . 1 . 2]" 1
625 1 32 VAL MG2 1 38 LEU HA . . 3.620 2.381 2.171 2.725 . 0 0 "[ . 1 . 2]" 1
626 1 32 VAL MG2 1 38 LEU HB2 . . 3.590 2.694 1.945 2.958 . 0 0 "[ . 1 . 2]" 1
627 1 32 VAL MG2 1 38 LEU HB3 . . 4.350 3.984 3.364 4.321 . 0 0 "[ . 1 . 2]" 1
628 1 32 VAL MG2 1 38 LEU QD . . 3.610 2.257 1.763 2.839 . 0 0 "[ . 1 . 2]" 1
629 1 32 VAL MG2 1 41 PHE H . . 5.320 5.026 4.807 5.266 . 0 0 "[ . 1 . 2]" 1
630 1 32 VAL MG2 1 41 PHE HB2 . . 5.300 3.977 3.791 4.225 . 0 0 "[ . 1 . 2]" 1
631 1 32 VAL MG2 1 41 PHE QB . . 4.670 3.658 3.489 3.883 . 0 0 "[ . 1 . 2]" 1
632 1 32 VAL MG2 1 41 PHE HB3 . . 5.300 4.282 4.047 4.566 . 0 0 "[ . 1 . 2]" 1
633 1 33 LYS H 1 33 LYS QB . . 3.670 2.776 2.486 3.201 . 0 0 "[ . 1 . 2]" 1
634 1 33 LYS H 1 34 GLY H . . 4.290 4.073 3.795 4.208 . 0 0 "[ . 1 . 2]" 1
635 1 33 LYS H 1 37 ASP QB . . 4.250 3.593 2.994 4.250 0.000 12 0 "[ . 1 . 2]" 1
636 1 33 LYS HA 1 33 LYS HD2 . . 5.430 3.970 2.109 5.424 . 0 0 "[ . 1 . 2]" 1
637 1 33 LYS HA 1 33 LYS QD . . 4.650 3.458 2.095 4.326 . 0 0 "[ . 1 . 2]" 1
638 1 33 LYS HA 1 33 LYS HD3 . . 5.430 4.098 2.223 5.422 . 0 0 "[ . 1 . 2]" 1
639 1 33 LYS HA 1 33 LYS QG . . 3.620 2.703 2.142 3.342 . 0 0 "[ . 1 . 2]" 1
640 1 33 LYS HA 1 34 GLY H . . 3.090 2.161 2.145 2.222 . 0 0 "[ . 1 . 2]" 1
641 1 33 LYS QB 1 34 GLY H . . 3.880 3.557 3.277 3.825 . 0 0 "[ . 1 . 2]" 1
642 1 33 LYS QB 1 34 GLY QA . . 5.180 3.938 3.781 4.078 . 0 0 "[ . 1 . 2]" 1
643 1 34 GLY H 1 35 SER H . . 3.970 3.680 3.461 3.891 . 0 0 "[ . 1 . 2]" 1
644 1 34 GLY H 1 35 SER HA . . 4.730 4.642 4.458 4.731 0.001 5 0 "[ . 1 . 2]" 1
645 1 34 GLY H 1 37 ASP QB . . 4.780 4.434 4.148 4.782 0.002 12 0 "[ . 1 . 2]" 1
646 1 34 GLY H 1 38 LEU HB2 . . 4.800 4.765 4.652 4.801 0.001 13 0 "[ . 1 . 2]" 1
647 1 34 GLY QA 1 35 SER H . . 2.950 2.114 2.110 2.128 . 0 0 "[ . 1 . 2]" 1
648 1 34 GLY QA 1 36 LYS H . . 4.730 3.442 3.287 3.548 . 0 0 "[ . 1 . 2]" 1
649 1 34 GLY QA 1 37 ASP H . . 4.250 3.111 2.980 3.248 . 0 0 "[ . 1 . 2]" 1
650 1 34 GLY QA 1 37 ASP QB . . 4.590 3.008 2.718 3.364 . 0 0 "[ . 1 . 2]" 1
651 1 34 GLY QA 1 38 LEU HB2 . . 5.340 4.897 4.629 5.136 . 0 0 "[ . 1 . 2]" 1
652 1 34 GLY HA2 1 37 ASP H . . 4.990 4.345 4.145 4.538 . 0 0 "[ . 1 . 2]" 1
653 1 34 GLY HA3 1 37 ASP H . . 4.990 3.188 3.055 3.327 . 0 0 "[ . 1 . 2]" 1
654 1 35 SER H 1 35 SER HG . . 3.850 3.148 2.028 3.710 . 0 0 "[ . 1 . 2]" 1
655 1 35 SER HA 1 38 LEU H . . 5.030 3.423 3.281 3.567 . 0 0 "[ . 1 . 2]" 1
656 1 35 SER HA 1 38 LEU HB2 . . 4.300 2.995 2.633 3.189 . 0 0 "[ . 1 . 2]" 1
657 1 35 SER HA 1 38 LEU HB3 . . 3.950 3.114 2.328 3.415 . 0 0 "[ . 1 . 2]" 1
658 1 35 SER HA 1 38 LEU QD . . 4.600 3.723 2.913 4.413 . 0 0 "[ . 1 . 2]" 1
659 1 35 SER HB2 1 36 LYS H . . 5.500 3.471 2.641 3.882 . 0 0 "[ . 1 . 2]" 1
660 1 35 SER HB2 1 38 LEU HB2 . . 5.500 5.362 5.069 5.501 0.001 12 0 "[ . 1 . 2]" 1
661 1 35 SER HB3 1 36 LYS H . . 5.500 3.958 3.810 4.109 . 0 0 "[ . 1 . 2]" 1
662 1 35 SER HB3 1 38 LEU HB2 . . 5.500 5.325 4.726 5.502 0.002 12 0 "[ . 1 . 2]" 1
663 1 35 SER HG 1 36 LYS H . . 4.200 3.047 2.146 3.822 . 0 0 "[ . 1 . 2]" 1
664 1 36 LYS H 1 36 LYS HB2 . . 3.580 2.475 2.199 3.587 0.007 12 0 "[ . 1 . 2]" 1
665 1 36 LYS H 1 36 LYS HB3 . . 3.580 3.163 2.616 3.579 . 0 0 "[ . 1 . 2]" 1
666 1 36 LYS H 1 36 LYS QG . . 5.080 3.004 1.932 4.038 . 0 0 "[ . 1 . 2]" 1
667 1 36 LYS H 1 37 ASP H . . 3.750 2.704 2.616 2.820 . 0 0 "[ . 1 . 2]" 1
668 1 36 LYS H 1 39 LYS H . . 5.370 4.846 4.630 5.046 . 0 0 "[ . 1 . 2]" 1
669 1 36 LYS HA 1 36 LYS HD2 . . 5.500 4.167 2.121 5.490 . 0 0 "[ . 1 . 2]" 1
670 1 36 LYS HA 1 36 LYS QD . . 4.770 3.565 2.098 4.386 . 0 0 "[ . 1 . 2]" 1
671 1 36 LYS HA 1 36 LYS HD3 . . 5.500 4.085 2.297 4.810 . 0 0 "[ . 1 . 2]" 1
672 1 36 LYS HA 1 36 LYS HG2 . . 4.160 2.900 2.196 3.662 . 0 0 "[ . 1 . 2]" 1
673 1 36 LYS HA 1 36 LYS QG . . 3.620 2.507 2.175 3.337 . 0 0 "[ . 1 . 2]" 1
674 1 36 LYS HA 1 36 LYS HG3 . . 4.160 3.020 2.225 3.846 . 0 0 "[ . 1 . 2]" 1
675 1 36 LYS HA 1 39 LYS H . . 4.130 3.643 3.456 3.884 . 0 0 "[ . 1 . 2]" 1
676 1 36 LYS HA 1 39 LYS HB2 . . 3.960 2.945 2.638 3.200 . 0 0 "[ . 1 . 2]" 1
677 1 36 LYS QB 1 37 ASP H . . 3.230 2.701 2.441 3.240 0.010 12 0 "[ . 1 . 2]" 1
678 1 36 LYS QB 1 38 LEU H . . 5.340 4.722 4.557 5.026 . 0 0 "[ . 1 . 2]" 1
679 1 36 LYS QB 1 39 LYS H . . 5.340 5.051 4.823 5.326 . 0 0 "[ . 1 . 2]" 1
680 1 36 LYS HB2 1 37 ASP H . . 3.750 3.154 2.574 3.718 . 0 0 "[ . 1 . 2]" 1
681 1 36 LYS HB3 1 37 ASP H . . 3.750 3.234 2.485 3.883 0.133 9 0 "[ . 1 . 2]" 1
682 1 36 LYS QG 1 37 ASP H . . 4.660 3.903 1.940 4.560 . 0 0 "[ . 1 . 2]" 1
683 1 37 ASP H 1 37 ASP HB2 . . 3.850 2.333 2.149 2.493 . 0 0 "[ . 1 . 2]" 1
684 1 37 ASP H 1 37 ASP QB . . 3.190 2.296 2.106 2.449 . 0 0 "[ . 1 . 2]" 1
685 1 37 ASP H 1 37 ASP HB3 . . 3.850 3.448 2.875 3.595 . 0 0 "[ . 1 . 2]" 1
686 1 37 ASP H 1 38 LEU H . . 3.610 2.586 2.512 2.637 . 0 0 "[ . 1 . 2]" 1
687 1 37 ASP H 1 39 LYS HB2 . . 5.320 5.212 5.030 5.320 0.000 17 0 "[ . 1 . 2]" 1
688 1 37 ASP H 1 40 GLU H . . 4.990 4.812 4.647 4.989 . 0 0 "[ . 1 . 2]" 1
689 1 37 ASP HA 1 40 GLU H . . 4.080 3.578 3.352 3.904 . 0 0 "[ . 1 . 2]" 1
690 1 37 ASP HA 1 40 GLU QB . . 3.800 2.728 2.363 3.736 . 0 0 "[ . 1 . 2]" 1
691 1 37 ASP HA 1 40 GLU HG2 . . 5.150 4.173 1.999 5.148 . 0 0 "[ . 1 . 2]" 1
692 1 37 ASP HA 1 40 GLU QG . . 4.510 3.382 1.966 4.166 . 0 0 "[ . 1 . 2]" 1
693 1 37 ASP HA 1 40 GLU HG3 . . 5.150 3.662 2.170 4.448 . 0 0 "[ . 1 . 2]" 1
694 1 37 ASP QB 1 38 LEU H . . 3.790 2.662 2.552 2.736 . 0 0 "[ . 1 . 2]" 1
695 1 38 LEU H 1 38 LEU HB2 . . 3.350 2.214 2.159 2.553 . 0 0 "[ . 1 . 2]" 1
696 1 38 LEU H 1 38 LEU HB3 . . 3.420 2.858 2.459 2.923 . 0 0 "[ . 1 . 2]" 1
697 1 38 LEU H 1 38 LEU QD . . 4.200 3.595 3.356 3.760 . 0 0 "[ . 1 . 2]" 1
698 1 38 LEU H 1 39 LYS H . . 3.550 2.672 2.489 2.832 . 0 0 "[ . 1 . 2]" 1
699 1 38 LEU H 1 39 LYS HB2 . . 4.880 4.615 4.437 4.773 . 0 0 "[ . 1 . 2]" 1
700 1 38 LEU H 1 40 GLU H . . 4.920 4.225 4.034 4.322 . 0 0 "[ . 1 . 2]" 1
701 1 38 LEU HA 1 38 LEU MD1 . . 4.250 3.114 2.162 3.785 . 0 0 "[ . 1 . 2]" 1
702 1 38 LEU HA 1 38 LEU QD . . 3.440 2.328 1.902 2.938 . 0 0 "[ . 1 . 2]" 1
703 1 38 LEU HA 1 38 LEU MD2 . . 4.250 2.488 1.957 3.834 . 0 0 "[ . 1 . 2]" 1
704 1 38 LEU HA 1 41 PHE H . . 4.050 3.665 3.510 3.867 . 0 0 "[ . 1 . 2]" 1
705 1 38 LEU HA 1 41 PHE HB2 . . 4.510 3.468 3.170 3.675 . 0 0 "[ . 1 . 2]" 1
706 1 38 LEU HA 1 41 PHE QB . . 3.860 2.871 2.584 3.025 . 0 0 "[ . 1 . 2]" 1
707 1 38 LEU HA 1 41 PHE HB3 . . 4.510 3.071 2.696 3.358 . 0 0 "[ . 1 . 2]" 1
708 1 38 LEU HB2 1 39 LYS H . . 4.160 3.560 3.428 3.814 . 0 0 "[ . 1 . 2]" 1
709 1 38 LEU HB3 1 38 LEU QD . . 3.070 2.143 1.973 2.312 . 0 0 "[ . 1 . 2]" 1
710 1 38 LEU HB3 1 39 LYS H . . 3.710 2.584 2.330 2.767 . 0 0 "[ . 1 . 2]" 1
711 1 38 LEU HB3 1 39 LYS QG . . 4.300 3.496 3.303 3.738 . 0 0 "[ . 1 . 2]" 1
712 1 38 LEU HB3 1 42 HIS HE1 . . 5.500 4.225 3.710 4.689 . 0 0 "[ . 1 . 2]" 1
713 1 38 LEU QD 1 39 LYS H . . 4.650 3.579 3.373 3.814 . 0 0 "[ . 1 . 2]" 1
714 1 38 LEU QD 1 39 LYS HA . . 4.090 3.406 3.171 4.093 0.003 12 0 "[ . 1 . 2]" 1
715 1 38 LEU QD 1 41 PHE H . . 4.930 4.419 4.148 4.860 . 0 0 "[ . 1 . 2]" 1
716 1 38 LEU QD 1 41 PHE QB . . 4.790 3.177 2.884 3.759 . 0 0 "[ . 1 . 2]" 1
717 1 38 LEU QD 1 42 HIS H . . 4.940 4.234 4.002 4.507 . 0 0 "[ . 1 . 2]" 1
718 1 38 LEU QD 1 42 HIS HB3 . . 5.440 5.438 5.425 5.448 0.008 16 0 "[ . 1 . 2]" 1
719 1 38 LEU QD 1 42 HIS HD2 . . 4.520 3.677 3.522 3.883 . 0 0 "[ . 1 . 2]" 1
720 1 38 LEU QD 1 42 HIS HE1 . . 4.290 2.132 2.002 2.535 . 0 0 "[ . 1 . 2]" 1
721 1 39 LYS H 1 39 LYS HB2 . . 3.030 2.234 2.164 2.315 . 0 0 "[ . 1 . 2]" 1
722 1 39 LYS H 1 39 LYS HG2 . . 4.540 3.692 2.640 4.166 . 0 0 "[ . 1 . 2]" 1
723 1 39 LYS H 1 39 LYS QG . . 3.930 2.756 2.552 2.983 . 0 0 "[ . 1 . 2]" 1
724 1 39 LYS H 1 39 LYS HG3 . . 4.540 3.017 2.586 3.720 . 0 0 "[ . 1 . 2]" 1
725 1 39 LYS H 1 40 GLU QB . . 4.650 4.502 4.377 4.664 0.014 6 0 "[ . 1 . 2]" 1
726 1 39 LYS H 1 41 PHE H . . 5.500 4.013 3.850 4.143 . 0 0 "[ . 1 . 2]" 1
727 1 39 LYS HA 1 39 LYS HD2 . . 5.430 4.173 2.050 4.697 . 0 0 "[ . 1 . 2]" 1
728 1 39 LYS HA 1 39 LYS QD . . 4.590 3.625 2.035 4.091 . 0 0 "[ . 1 . 2]" 1
729 1 39 LYS HA 1 39 LYS HD3 . . 5.430 4.137 2.165 4.634 . 0 0 "[ . 1 . 2]" 1
730 1 39 LYS HA 1 42 HIS HB2 . . 4.190 3.609 3.478 3.698 . 0 0 "[ . 1 . 2]" 1
731 1 39 LYS HA 1 42 HIS HE1 . . 4.280 3.405 3.015 4.063 . 0 0 "[ . 1 . 2]" 1
732 1 39 LYS HB2 1 40 GLU H . . 3.590 2.652 2.453 2.771 . 0 0 "[ . 1 . 2]" 1
733 1 39 LYS HB2 1 40 GLU QG . . 5.340 3.953 3.600 4.617 . 0 0 "[ . 1 . 2]" 1
734 1 39 LYS HB3 1 39 LYS QD . . 3.650 2.524 2.145 3.085 . 0 0 "[ . 1 . 2]" 1
735 1 39 LYS HB3 1 39 LYS HE2 . . 5.130 3.828 2.143 4.643 . 0 0 "[ . 1 . 2]" 1
736 1 39 LYS HB3 1 39 LYS HE3 . . 5.130 3.800 2.106 5.010 . 0 0 "[ . 1 . 2]" 1
737 1 39 LYS HB3 1 40 GLU H . . 4.130 3.241 3.043 3.402 . 0 0 "[ . 1 . 2]" 1
738 1 39 LYS HB3 1 40 GLU QG . . 5.340 4.292 3.962 5.237 . 0 0 "[ . 1 . 2]" 1
739 1 39 LYS HB3 1 42 HIS HB2 . . 5.450 4.887 4.765 5.145 . 0 0 "[ . 1 . 2]" 1
740 1 39 LYS QG 1 42 HIS HE1 . . 5.200 3.951 3.410 4.632 . 0 0 "[ . 1 . 2]" 1
741 1 40 GLU H 1 40 GLU QB . . 3.020 2.294 2.196 2.397 . 0 0 "[ . 1 . 2]" 1
742 1 40 GLU H 1 40 GLU HG2 . . 4.300 2.869 2.323 3.999 . 0 0 "[ . 1 . 2]" 1
743 1 40 GLU H 1 40 GLU QG . . 3.720 2.521 2.288 2.746 . 0 0 "[ . 1 . 2]" 1
744 1 40 GLU H 1 40 GLU HG3 . . 4.300 3.349 2.350 3.929 . 0 0 "[ . 1 . 2]" 1
745 1 40 GLU H 1 41 PHE H . . 3.590 2.707 2.648 2.724 . 0 0 "[ . 1 . 2]" 1
746 1 40 GLU H 1 42 HIS H . . 4.480 4.303 4.255 4.482 0.002 7 0 "[ . 1 . 2]" 1
747 1 40 GLU HA 1 42 HIS H . . 4.860 4.140 4.061 4.453 . 0 0 "[ . 1 . 2]" 1
748 1 40 GLU HA 1 43 LYS H . . 4.120 3.257 3.202 3.480 . 0 0 "[ . 1 . 2]" 1
749 1 40 GLU HA 1 43 LYS HB2 . . 4.240 2.837 2.554 3.142 . 0 0 "[ . 1 . 2]" 1
750 1 40 GLU HA 1 43 LYS QB . . 3.470 2.690 2.532 2.882 . 0 0 "[ . 1 . 2]" 1
751 1 40 GLU HA 1 43 LYS HB3 . . 4.240 3.578 2.799 4.243 0.003 7 0 "[ . 1 . 2]" 1
752 1 40 GLU HA 1 43 LYS HD2 . . 5.500 4.142 2.858 5.501 0.001 18 0 "[ . 1 . 2]" 1
753 1 40 GLU HA 1 43 LYS QD . . 4.250 3.573 2.168 4.251 0.001 18 0 "[ . 1 . 2]" 1
754 1 40 GLU HA 1 43 LYS HD3 . . 5.500 4.406 2.188 5.445 . 0 0 "[ . 1 . 2]" 1
755 1 40 GLU QB 1 41 PHE H . . 3.690 2.801 2.685 3.485 . 0 0 "[ . 1 . 2]" 1
756 1 40 GLU HG2 1 41 PHE H . . 5.500 4.584 2.398 5.207 . 0 0 "[ . 1 . 2]" 1
757 1 40 GLU HG3 1 41 PHE H . . 5.500 4.710 2.088 5.200 . 0 0 "[ . 1 . 2]" 1
758 1 41 PHE H 1 41 PHE HB2 . . 3.490 2.590 2.505 2.632 . 0 0 "[ . 1 . 2]" 1
759 1 41 PHE H 1 41 PHE HB3 . . 3.490 2.471 2.432 2.555 . 0 0 "[ . 1 . 2]" 1
760 1 41 PHE H 1 41 PHE QD . . 4.360 4.177 4.167 4.184 . 0 0 "[ . 1 . 2]" 1
761 1 41 PHE H 1 42 HIS H . . 3.760 2.730 2.717 2.803 . 0 0 "[ . 1 . 2]" 1
762 1 41 PHE H 1 43 LYS H . . 4.340 4.171 4.055 4.331 . 0 0 "[ . 1 . 2]" 1
763 1 41 PHE H 1 43 LYS QB . . 5.340 4.920 4.824 5.065 . 0 0 "[ . 1 . 2]" 1
764 1 41 PHE HA 1 41 PHE QD . . 4.110 2.835 2.494 3.010 . 0 0 "[ . 1 . 2]" 1
765 1 41 PHE HA 1 41 PHE QE . . 5.010 4.692 4.528 4.775 . 0 0 "[ . 1 . 2]" 1
766 1 41 PHE HA 1 44 MET H . . 4.440 3.678 3.538 3.735 . 0 0 "[ . 1 . 2]" 1
767 1 41 PHE HA 1 44 MET QG . . 4.260 2.340 2.173 2.849 . 0 0 "[ . 1 . 2]" 1
768 1 41 PHE QB 1 42 HIS H . . 3.520 2.670 2.425 2.724 . 0 0 "[ . 1 . 2]" 1
769 1 41 PHE HB2 1 42 HIS H . . 4.230 3.986 3.805 4.033 . 0 0 "[ . 1 . 2]" 1
770 1 41 PHE HB3 1 42 HIS H . . 4.230 2.712 2.454 2.769 . 0 0 "[ . 1 . 2]" 1
771 1 41 PHE QD 1 42 HIS H . . 4.300 3.436 3.215 3.832 . 0 0 "[ . 1 . 2]" 1
772 1 41 PHE QD 1 42 HIS HA . . 4.640 3.316 2.973 3.891 . 0 0 "[ . 1 . 2]" 1
773 1 41 PHE QD 1 42 HIS HD2 . . 3.690 2.071 1.998 2.418 . 0 0 "[ . 1 . 2]" 1
774 1 41 PHE QD 1 44 MET ME . . 3.980 2.794 2.241 3.564 . 0 0 "[ . 1 . 2]" 1
775 1 41 PHE QD 1 45 LEU HB2 . . 4.600 3.753 3.350 4.181 . 0 0 "[ . 1 . 2]" 1
776 1 41 PHE QD 1 45 LEU MD1 . . 4.060 3.098 2.848 3.349 . 0 0 "[ . 1 . 2]" 1
777 1 41 PHE QD 1 45 LEU HG . . 4.820 4.714 4.443 4.820 0.000 20 0 "[ . 1 . 2]" 1
778 1 41 PHE QE 1 42 HIS HA . . 5.300 4.487 4.205 5.021 . 0 0 "[ . 1 . 2]" 1
779 1 41 PHE QE 1 42 HIS HD2 . . 3.990 3.488 3.146 3.818 . 0 0 "[ . 1 . 2]" 1
780 1 41 PHE QE 1 44 MET ME . . 4.430 2.853 2.363 3.804 . 0 0 "[ . 1 . 2]" 1
781 1 41 PHE QE 1 45 LEU MD1 . . 4.150 2.102 1.900 2.646 . 0 0 "[ . 1 . 2]" 1
782 1 41 PHE QE 1 45 LEU HG . . 4.020 3.470 3.112 3.836 . 0 0 "[ . 1 . 2]" 1
783 1 41 PHE HZ 1 44 MET ME . . 5.360 4.362 3.923 5.291 . 0 0 "[ . 1 . 2]" 1
784 1 41 PHE HZ 1 45 LEU HG . . 4.650 3.589 3.274 3.866 . 0 0 "[ . 1 . 2]" 1
785 1 42 HIS H 1 42 HIS HB2 . . 3.540 2.587 2.512 2.686 . 0 0 "[ . 1 . 2]" 1
786 1 42 HIS H 1 42 HIS HB3 . . 3.740 3.597 3.581 3.603 . 0 0 "[ . 1 . 2]" 1
787 1 42 HIS H 1 43 LYS H . . 3.730 2.579 2.531 2.809 . 0 0 "[ . 1 . 2]" 1
788 1 42 HIS H 1 44 MET H . . 4.950 4.295 4.184 4.476 . 0 0 "[ . 1 . 2]" 1
789 1 42 HIS H 1 45 LEU MD1 . . 5.330 4.985 4.759 5.320 . 0 0 "[ . 1 . 2]" 1
790 1 42 HIS HA 1 42 HIS HD2 . . 3.800 2.526 2.436 2.608 . 0 0 "[ . 1 . 2]" 1
791 1 42 HIS HA 1 45 LEU H . . 4.040 3.265 3.174 3.414 . 0 0 "[ . 1 . 2]" 1
792 1 42 HIS HA 1 45 LEU HB2 . . 3.710 2.535 2.331 2.969 . 0 0 "[ . 1 . 2]" 1
793 1 42 HIS HA 1 45 LEU MD1 . . 4.420 2.945 2.776 3.337 . 0 0 "[ . 1 . 2]" 1
794 1 42 HIS HA 1 45 LEU MD2 . . 4.830 4.604 4.459 4.830 0.000 20 0 "[ . 1 . 2]" 1
795 1 42 HIS HB2 1 43 LYS H . . 3.780 2.708 2.469 2.775 . 0 0 "[ . 1 . 2]" 1
796 1 42 HIS HB3 1 43 LYS H . . 4.450 3.837 3.635 3.937 . 0 0 "[ . 1 . 2]" 1
797 1 42 HIS HB3 1 46 THR H . . 4.960 4.645 4.450 4.821 . 0 0 "[ . 1 . 2]" 1
798 1 42 HIS HD2 1 45 LEU HB2 . . 4.540 4.067 3.847 4.412 . 0 0 "[ . 1 . 2]" 1
799 1 42 HIS HD2 1 45 LEU MD1 . . 4.530 2.933 2.680 3.492 . 0 0 "[ . 1 . 2]" 1
800 1 43 LYS H 1 43 LYS HB2 . . 3.640 2.321 2.147 2.573 . 0 0 "[ . 1 . 2]" 1
801 1 43 LYS H 1 43 LYS QB . . 2.970 2.220 2.102 2.519 . 0 0 "[ . 1 . 2]" 1
802 1 43 LYS H 1 43 LYS HB3 . . 3.640 2.992 2.497 3.590 . 0 0 "[ . 1 . 2]" 1
803 1 43 LYS H 1 43 LYS QG . . 4.410 3.539 2.008 4.034 . 0 0 "[ . 1 . 2]" 1
804 1 43 LYS H 1 44 MET H . . 3.520 2.772 2.733 2.819 . 0 0 "[ . 1 . 2]" 1
805 1 43 LYS H 1 46 THR H . . 5.030 4.973 4.622 5.036 0.006 11 0 "[ . 1 . 2]" 1
806 1 43 LYS HA 1 43 LYS HD2 . . 5.500 3.909 2.039 4.694 . 0 0 "[ . 1 . 2]" 1
807 1 43 LYS HA 1 43 LYS QD . . 4.840 3.565 2.025 4.222 . 0 0 "[ . 1 . 2]" 1
808 1 43 LYS HA 1 43 LYS HD3 . . 5.500 4.328 3.352 4.945 . 0 0 "[ . 1 . 2]" 1
809 1 43 LYS HA 1 43 LYS HG2 . . 4.210 2.999 2.276 3.661 . 0 0 "[ . 1 . 2]" 1
810 1 43 LYS HA 1 43 LYS HG3 . . 4.210 2.675 2.201 3.815 . 0 0 "[ . 1 . 2]" 1
811 1 43 LYS HA 1 46 THR H . . 4.600 4.106 3.831 4.243 . 0 0 "[ . 1 . 2]" 1
812 1 43 LYS HA 1 46 THR HB . . 4.730 4.668 4.441 4.735 0.005 7 0 "[ . 1 . 2]" 1
813 1 43 LYS HA 1 46 THR MG . . 4.070 2.715 2.221 4.020 . 0 0 "[ . 1 . 2]" 1
814 1 43 LYS QB 1 44 MET H . . 3.640 2.524 2.364 2.708 . 0 0 "[ . 1 . 2]" 1
815 1 43 LYS QB 1 44 MET HA . . 5.340 3.988 3.792 4.267 . 0 0 "[ . 1 . 2]" 1
816 1 43 LYS HB2 1 44 MET H . . 4.160 3.382 2.400 3.929 . 0 0 "[ . 1 . 2]" 1
817 1 43 LYS HB3 1 44 MET H . . 4.160 2.801 2.414 3.612 . 0 0 "[ . 1 . 2]" 1
818 1 43 LYS QD 1 44 MET H . . 4.940 4.714 4.009 4.932 . 0 0 "[ . 1 . 2]" 1
819 1 44 MET H 1 44 MET HB2 . . 4.110 3.513 2.665 3.618 . 0 0 "[ . 1 . 2]" 1
820 1 44 MET H 1 44 MET QB . . 3.270 2.620 2.582 2.663 . 0 0 "[ . 1 . 2]" 1
821 1 44 MET H 1 44 MET HB3 . . 4.110 2.786 2.646 3.622 . 0 0 "[ . 1 . 2]" 1
822 1 44 MET H 1 44 MET ME . . 4.690 4.559 3.890 4.690 . 0 0 "[ . 1 . 2]" 1
823 1 44 MET H 1 44 MET QG . . 3.240 1.971 1.928 2.128 . 0 0 "[ . 1 . 2]" 1
824 1 44 MET H 1 45 LEU H . . 3.610 2.461 2.378 2.597 . 0 0 "[ . 1 . 2]" 1
825 1 44 MET HA 1 47 ALA H . . 4.210 3.398 3.281 3.555 . 0 0 "[ . 1 . 2]" 1
826 1 44 MET HA 1 47 ALA MB . . 3.900 2.517 2.139 2.883 . 0 0 "[ . 1 . 2]" 1
827 1 44 MET QB 1 44 MET ME . . 3.530 2.797 1.985 3.316 . 0 0 "[ . 1 . 2]" 1
828 1 44 MET HB2 1 44 MET ME . . 4.250 2.909 2.122 3.513 . 0 0 "[ . 1 . 2]" 1
829 1 44 MET HB3 1 44 MET ME . . 4.250 3.676 2.335 4.070 . 0 0 "[ . 1 . 2]" 1
830 1 44 MET ME 1 44 MET HG2 . . 3.900 3.186 2.930 3.384 . 0 0 "[ . 1 . 2]" 1
831 1 44 MET ME 1 44 MET HG3 . . 3.900 2.140 1.987 2.646 . 0 0 "[ . 1 . 2]" 1
832 1 44 MET ME 1 45 LEU H . . 4.200 3.916 3.778 4.129 . 0 0 "[ . 1 . 2]" 1
833 1 44 MET ME 1 45 LEU HB2 . . 4.840 4.289 3.912 4.839 . 0 0 "[ . 1 . 2]" 1
834 1 44 MET ME 1 48 ILE MD . . 3.480 2.836 2.096 3.450 . 0 0 "[ . 1 . 2]" 1
835 1 44 MET QG 1 45 LEU H . . 3.650 2.295 2.085 3.655 0.005 18 0 "[ . 1 . 2]" 1
836 1 45 LEU H 1 45 LEU HB2 . . 3.420 2.154 2.135 2.201 . 0 0 "[ . 1 . 2]" 1
837 1 45 LEU H 1 45 LEU HB3 . . 3.500 2.931 2.868 2.968 . 0 0 "[ . 1 . 2]" 1
838 1 45 LEU H 1 45 LEU MD1 . . 4.770 4.152 4.102 4.200 . 0 0 "[ . 1 . 2]" 1
839 1 45 LEU H 1 45 LEU MD2 . . 4.420 4.225 4.205 4.259 . 0 0 "[ . 1 . 2]" 1
840 1 45 LEU H 1 45 LEU HG . . 4.320 4.110 4.067 4.191 . 0 0 "[ . 1 . 2]" 1
841 1 45 LEU H 1 46 THR MG . . 4.950 3.967 3.753 4.950 . 5 0 "[ . 1 . 2]" 1
842 1 45 LEU H 1 48 ILE MD . . 4.310 4.014 3.778 4.309 . 0 0 "[ . 1 . 2]" 1
843 1 45 LEU H 1 48 ILE HG13 . . 5.190 4.956 4.811 5.167 . 0 0 "[ . 1 . 2]" 1
844 1 45 LEU HA 1 45 LEU MD2 . . 3.370 2.437 2.227 2.674 . 0 0 "[ . 1 . 2]" 1
845 1 45 LEU HA 1 48 ILE H . . 4.120 3.558 3.368 3.762 . 0 0 "[ . 1 . 2]" 1
846 1 45 LEU HA 1 48 ILE HB . . 3.770 3.290 2.985 3.602 . 0 0 "[ . 1 . 2]" 1
847 1 45 LEU HA 1 48 ILE MD . . 3.740 2.258 1.924 2.596 . 0 0 "[ . 1 . 2]" 1
848 1 45 LEU HA 1 48 ILE HG12 . . 5.110 4.648 4.311 5.106 . 0 0 "[ . 1 . 2]" 1
849 1 45 LEU HA 1 48 ILE HG13 . . 4.580 3.399 3.094 3.789 . 0 0 "[ . 1 . 2]" 1
850 1 45 LEU HB2 1 46 THR H . . 3.940 3.404 3.356 3.522 . 0 0 "[ . 1 . 2]" 1
851 1 45 LEU HB3 1 46 THR H . . 4.310 2.322 2.236 2.541 . 0 0 "[ . 1 . 2]" 1
852 1 45 LEU MD1 1 46 THR H . . 5.420 4.286 4.208 4.482 . 0 0 "[ . 1 . 2]" 1
853 1 45 LEU MD1 1 46 THR HA . . 5.190 4.997 4.922 5.141 . 0 0 "[ . 1 . 2]" 1
854 1 45 LEU MD2 1 46 THR H . . 4.510 3.493 3.376 3.645 . 0 0 "[ . 1 . 2]" 1
855 1 45 LEU MD2 1 46 THR HA . . 4.030 3.263 3.103 3.478 . 0 0 "[ . 1 . 2]" 1
856 1 45 LEU MD2 1 48 ILE HB . . 4.600 3.156 2.765 3.611 . 0 0 "[ . 1 . 2]" 1
857 1 45 LEU MD2 1 49 LEU QB . . 4.210 3.545 2.937 4.211 0.001 8 0 "[ . 1 . 2]" 1
858 1 45 LEU MD2 1 49 LEU HG . . 4.610 3.420 2.201 4.287 . 0 0 "[ . 1 . 2]" 1
859 1 46 THR H 1 46 THR HB . . 3.740 2.737 2.560 3.588 . 0 0 "[ . 1 . 2]" 1
860 1 46 THR H 1 46 THR MG . . 3.930 2.098 1.932 2.769 . 0 0 "[ . 1 . 2]" 1
861 1 46 THR H 1 47 ALA H . . 3.730 2.715 2.659 2.757 . 0 0 "[ . 1 . 2]" 1
862 1 46 THR H 1 47 ALA MB . . 4.560 4.341 4.216 4.417 . 0 0 "[ . 1 . 2]" 1
863 1 46 THR H 1 48 ILE H . . 4.470 4.345 4.250 4.469 . 0 0 "[ . 1 . 2]" 1
864 1 46 THR HA 1 46 THR MG . . 3.390 3.049 2.101 3.207 . 0 0 "[ . 1 . 2]" 1
865 1 46 THR HA 1 49 LEU H . . 4.740 3.760 3.363 3.975 . 0 0 "[ . 1 . 2]" 1
866 1 46 THR HA 1 49 LEU QB . . 4.030 3.112 2.519 3.596 . 0 0 "[ . 1 . 2]" 1
867 1 46 THR HA 1 49 LEU QD . . 4.570 3.870 3.332 4.344 . 0 0 "[ . 1 . 2]" 1
868 1 46 THR HA 1 50 ALA H . . 4.560 4.023 3.768 4.379 . 0 0 "[ . 1 . 2]" 1
869 1 46 THR MG 1 47 ALA H . . 4.230 2.418 1.969 4.184 . 0 0 "[ . 1 . 2]" 1
870 1 47 ALA H 1 47 ALA MB . . 3.010 2.141 2.035 2.234 . 0 0 "[ . 1 . 2]" 1
871 1 47 ALA H 1 48 ILE H . . 3.470 2.683 2.600 2.776 . 0 0 "[ . 1 . 2]" 1
872 1 47 ALA H 1 48 ILE HB . . 5.160 4.911 4.819 5.018 . 0 0 "[ . 1 . 2]" 1
873 1 47 ALA H 1 49 LEU H . . 4.650 4.522 4.250 4.650 . 8 0 "[ . 1 . 2]" 1
874 1 47 ALA HA 1 50 ALA MB . . 3.310 2.356 2.091 3.061 . 0 0 "[ . 1 . 2]" 1
875 1 47 ALA MB 1 48 ILE H . . 3.630 2.565 2.351 2.793 . 0 0 "[ . 1 . 2]" 1
876 1 47 ALA MB 1 48 ILE HA . . 4.260 3.741 3.641 3.856 . 0 0 "[ . 1 . 2]" 1
877 1 48 ILE H 1 48 ILE HB . . 3.310 2.572 2.529 2.610 . 0 0 "[ . 1 . 2]" 1
878 1 48 ILE H 1 48 ILE MD . . 4.430 3.332 3.224 3.439 . 0 0 "[ . 1 . 2]" 1
879 1 48 ILE H 1 48 ILE HG12 . . 3.510 3.469 3.410 3.512 0.002 8 0 "[ . 1 . 2]" 1
880 1 48 ILE H 1 48 ILE HG13 . . 3.830 2.022 1.950 2.120 . 0 0 "[ . 1 . 2]" 1
881 1 48 ILE H 1 48 ILE MG . . 4.270 3.765 3.763 3.771 . 0 0 "[ . 1 . 2]" 1
882 1 48 ILE H 1 49 LEU H . . 3.600 2.880 2.607 3.004 . 0 0 "[ . 1 . 2]" 1
883 1 48 ILE H 1 49 LEU QD . . 4.540 4.274 3.855 4.542 0.002 8 0 "[ . 1 . 2]" 1
884 1 48 ILE H 1 50 ALA H . . 4.030 3.971 3.856 4.032 0.002 12 0 "[ . 1 . 2]" 1
885 1 48 ILE HA 1 48 ILE HG12 . . 3.920 2.689 2.637 2.751 . 0 0 "[ . 1 . 2]" 1
886 1 48 ILE HA 1 48 ILE HG13 . . 3.950 2.843 2.753 2.937 . 0 0 "[ . 1 . 2]" 1
887 1 48 ILE HA 1 48 ILE MG . . 3.560 2.335 2.296 2.398 . 0 0 "[ . 1 . 2]" 1
888 1 48 ILE HA 1 50 ALA H . . 5.320 4.380 4.118 4.523 . 0 0 "[ . 1 . 2]" 1
889 1 48 ILE HA 1 51 LYS H . . 4.670 3.801 3.224 4.135 . 0 0 "[ . 1 . 2]" 1
890 1 48 ILE HA 1 51 LYS QB . . 4.620 3.624 2.503 4.624 0.004 18 0 "[ . 1 . 2]" 1
891 1 48 ILE HA 1 51 LYS QG . . 4.350 3.591 2.581 4.335 . 0 0 "[ . 1 . 2]" 1
892 1 48 ILE HB 1 49 LEU H . . 3.730 2.252 2.176 2.456 . 0 0 "[ . 1 . 2]" 1
893 1 48 ILE HB 1 50 ALA H . . 4.990 4.673 4.584 4.868 . 0 0 "[ . 1 . 2]" 1
894 1 48 ILE MD 1 49 LEU H . . 4.580 4.123 4.015 4.359 . 0 0 "[ . 1 . 2]" 1
895 1 48 ILE MG 1 49 LEU H . . 4.190 3.149 3.030 3.438 . 0 0 "[ . 1 . 2]" 1
896 1 48 ILE MG 1 49 LEU HA . . 4.270 3.368 3.225 3.623 . 0 0 "[ . 1 . 2]" 1
897 1 48 ILE MG 1 50 ALA H . . 4.880 4.834 4.733 4.893 0.013 18 0 "[ . 1 . 2]" 1
898 1 48 ILE MG 1 51 LYS H . . 5.470 4.682 4.161 5.254 . 0 0 "[ . 1 . 2]" 1
899 1 48 ILE MG 1 52 GLN QG . . 4.900 3.265 2.441 4.283 . 0 0 "[ . 1 . 2]" 1
900 1 49 LEU H 1 49 LEU QB . . 2.950 2.241 2.098 2.631 . 0 0 "[ . 1 . 2]" 1
901 1 49 LEU H 1 49 LEU MD1 . . 4.600 3.629 2.023 4.060 . 0 0 "[ . 1 . 2]" 1
902 1 49 LEU H 1 49 LEU QD . . 3.670 2.240 1.968 2.628 . 0 0 "[ . 1 . 2]" 1
903 1 49 LEU H 1 49 LEU MD2 . . 4.600 2.536 1.974 4.158 . 0 0 "[ . 1 . 2]" 1
904 1 49 LEU H 1 50 ALA H . . 3.600 2.673 2.544 2.778 . 0 0 "[ . 1 . 2]" 1
905 1 49 LEU H 1 50 ALA MB . . 4.520 4.288 4.137 4.411 . 0 0 "[ . 1 . 2]" 1
906 1 49 LEU HA 1 49 LEU MD1 . . 4.260 2.597 2.028 3.872 . 0 0 "[ . 1 . 2]" 1
907 1 49 LEU HA 1 49 LEU QD . . 3.130 2.128 1.885 2.808 . 0 0 "[ . 1 . 2]" 1
908 1 49 LEU HA 1 49 LEU MD2 . . 4.260 2.526 2.160 3.800 . 0 0 "[ . 1 . 2]" 1
909 1 49 LEU HA 1 51 LYS H . . 4.910 4.192 3.937 4.843 . 0 0 "[ . 1 . 2]" 1
910 1 49 LEU HA 1 52 GLN H . . 4.730 3.193 2.965 3.567 . 0 0 "[ . 1 . 2]" 1
911 1 49 LEU QB 1 49 LEU QD . . 2.820 1.974 1.825 2.072 . 0 0 "[ . 1 . 2]" 1
912 1 49 LEU QB 1 50 ALA H . . 3.950 2.731 2.653 2.777 . 0 0 "[ . 1 . 2]" 1
913 1 49 LEU QD 1 50 ALA H . . 4.490 3.940 3.809 4.029 . 0 0 "[ . 1 . 2]" 1
914 1 49 LEU QD 1 52 GLN H . . 5.440 4.355 3.917 5.023 . 0 0 "[ . 1 . 2]" 1
915 1 49 LEU QD 1 52 GLN QG . . 5.160 3.283 2.100 4.193 . 0 0 "[ . 1 . 2]" 1
916 1 50 ALA H 1 50 ALA MB . . 3.030 2.165 2.088 2.234 . 0 0 "[ . 1 . 2]" 1
917 1 50 ALA H 1 51 LYS H . . 3.530 2.798 2.528 2.974 . 0 0 "[ . 1 . 2]" 1
918 1 50 ALA HA 1 52 GLN H . . 4.680 4.320 4.115 4.527 . 0 0 "[ . 1 . 2]" 1
919 1 50 ALA MB 1 51 LYS H . . 4.050 2.608 2.189 2.770 . 0 0 "[ . 1 . 2]" 1
920 1 50 ALA MB 1 52 GLN H . . 5.440 4.419 4.171 4.497 . 0 0 "[ . 1 . 2]" 1
921 1 51 LYS H 1 51 LYS HB2 . . 4.130 2.561 2.211 3.588 . 0 0 "[ . 1 . 2]" 1
922 1 51 LYS H 1 51 LYS QB . . 3.470 2.323 2.189 2.633 . 0 0 "[ . 1 . 2]" 1
923 1 51 LYS H 1 51 LYS HB3 . . 4.130 3.355 2.425 3.631 . 0 0 "[ . 1 . 2]" 1
924 1 51 LYS H 1 51 LYS HD2 . . 5.500 4.519 2.547 5.112 . 0 0 "[ . 1 . 2]" 1
925 1 51 LYS H 1 51 LYS HD3 . . 5.500 4.626 2.570 5.360 . 0 0 "[ . 1 . 2]" 1
926 1 51 LYS H 1 51 LYS HG2 . . 4.480 3.191 2.052 4.075 . 0 0 "[ . 1 . 2]" 1
927 1 51 LYS H 1 51 LYS QG . . 3.840 2.587 2.012 3.511 . 0 0 "[ . 1 . 2]" 1
928 1 51 LYS H 1 51 LYS HG3 . . 4.480 3.063 2.374 3.833 . 0 0 "[ . 1 . 2]" 1
929 1 51 LYS H 1 52 GLN H . . 3.740 2.499 2.296 2.598 . 0 0 "[ . 1 . 2]" 1
930 1 51 LYS HA 1 51 LYS HD2 . . 5.320 3.932 2.282 5.301 . 0 0 "[ . 1 . 2]" 1
931 1 51 LYS HA 1 51 LYS QD . . 4.590 3.281 2.093 4.280 . 0 0 "[ . 1 . 2]" 1
932 1 51 LYS HA 1 51 LYS HD3 . . 5.320 3.733 2.113 4.633 . 0 0 "[ . 1 . 2]" 1
933 1 51 LYS HA 1 51 LYS QG . . 3.630 2.636 2.175 3.429 . 0 0 "[ . 1 . 2]" 1
934 1 51 LYS QB 1 52 GLN H . . 4.230 2.923 2.744 3.506 . 0 0 "[ . 1 . 2]" 1
935 1 51 LYS QG 1 52 GLN H . . 5.170 3.848 1.969 4.620 . 0 0 "[ . 1 . 2]" 1
936 1 52 GLN H 1 52 GLN HB2 . . 3.870 2.437 2.164 3.827 . 0 0 "[ . 1 . 2]" 1
937 1 52 GLN H 1 52 GLN QB . . 3.300 2.310 2.144 3.214 . 0 0 "[ . 1 . 2]" 1
938 1 52 GLN H 1 52 GLN HB3 . . 3.870 3.463 2.848 3.532 . 0 0 "[ . 1 . 2]" 1
939 1 52 GLN H 1 52 GLN HG2 . . 4.020 3.136 2.294 4.015 . 0 0 "[ . 1 . 2]" 1
940 1 52 GLN H 1 52 GLN HG3 . . 4.020 3.508 2.692 4.020 0.000 12 0 "[ . 1 . 2]" 1
941 1 52 GLN HA 1 53 PRO HD2 . . 3.480 2.454 2.008 2.511 . 0 0 "[ . 1 . 2]" 1
942 1 52 GLN HA 1 53 PRO QD . . 2.990 2.133 1.966 2.156 . 0 0 "[ . 1 . 2]" 1
943 1 52 GLN HA 1 53 PRO HD3 . . 3.480 2.390 2.299 2.804 . 0 0 "[ . 1 . 2]" 1
944 1 52 GLN QB 1 52 GLN QE . . 4.010 2.995 1.972 3.443 . 0 0 "[ . 1 . 2]" 1
945 1 52 GLN QB 1 53 PRO QD . . 3.460 2.151 1.938 3.607 0.147 13 0 "[ . 1 . 2]" 1
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