Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
461186 | 2dl7 RC | 11220 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2dl7
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 1234
_Distance_constraint_stats_list.Viol_count 143
_Distance_constraint_stats_list.Viol_total 9.374
_Distance_constraint_stats_list.Viol_max 0.039
_Distance_constraint_stats_list.Viol_rms 0.0005
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0033
_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 8 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 CYS 0.001 0.001 13 0 "[ . 1 . 2]"
1 10 PHE 0.002 0.001 20 0 "[ . 1 . 2]"
1 11 VAL 0.005 0.002 18 0 "[ . 1 . 2]"
1 12 LYS 0.004 0.002 6 0 "[ . 1 . 2]"
1 13 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LEU 0.003 0.001 18 0 "[ . 1 . 2]"
1 15 TYR 0.002 0.001 7 0 "[ . 1 . 2]"
1 16 ASP 0.001 0.001 17 0 "[ . 1 . 2]"
1 17 TYR 0.033 0.009 15 0 "[ . 1 . 2]"
1 18 GLU 0.033 0.031 18 0 "[ . 1 . 2]"
1 19 GLY 0.004 0.004 18 0 "[ . 1 . 2]"
1 20 GLN 0.005 0.005 18 0 "[ . 1 . 2]"
1 21 THR 0.002 0.001 18 0 "[ . 1 . 2]"
1 22 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ASP 0.001 0.001 18 0 "[ . 1 . 2]"
1 24 GLU 0.003 0.002 16 0 "[ . 1 . 2]"
1 25 LEU 0.019 0.002 18 0 "[ . 1 . 2]"
1 26 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 PHE 0.017 0.004 18 0 "[ . 1 . 2]"
1 28 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLU 0.000 0.000 15 0 "[ . 1 . 2]"
1 30 GLY 0.001 0.001 3 0 "[ . 1 . 2]"
1 31 ALA 0.024 0.011 11 0 "[ . 1 . 2]"
1 32 ILE 0.029 0.011 11 0 "[ . 1 . 2]"
1 33 ILE 0.004 0.002 15 0 "[ . 1 . 2]"
1 34 ARG 0.000 0.000 3 0 "[ . 1 . 2]"
1 35 ILE 0.001 0.001 13 0 "[ . 1 . 2]"
1 36 LEU 0.005 0.002 16 0 "[ . 1 . 2]"
1 37 ASN 0.006 0.003 18 0 "[ . 1 . 2]"
1 38 LYS 0.063 0.039 19 0 "[ . 1 . 2]"
1 39 GLU 0.001 0.001 13 0 "[ . 1 . 2]"
1 40 ASN 0.001 0.001 13 0 "[ . 1 . 2]"
1 41 GLN 0.023 0.021 17 0 "[ . 1 . 2]"
1 42 ASP 0.023 0.021 17 0 "[ . 1 . 2]"
1 43 ASP 0.066 0.013 17 0 "[ . 1 . 2]"
1 44 ASP 0.077 0.013 17 0 "[ . 1 . 2]"
1 45 GLY 0.010 0.007 10 0 "[ . 1 . 2]"
1 46 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 TRP 0.006 0.002 18 0 "[ . 1 . 2]"
1 48 GLU 0.005 0.003 18 0 "[ . 1 . 2]"
1 49 GLY 0.001 0.001 10 0 "[ . 1 . 2]"
1 50 GLU 0.004 0.002 13 0 "[ . 1 . 2]"
1 51 PHE 0.005 0.003 15 0 "[ . 1 . 2]"
1 52 ASN 0.011 0.011 11 0 "[ . 1 . 2]"
1 53 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ARG 0.075 0.018 15 0 "[ . 1 . 2]"
1 55 ILE 0.048 0.018 15 0 "[ . 1 . 2]"
1 56 GLY 0.003 0.002 14 0 "[ . 1 . 2]"
1 57 VAL 0.002 0.001 20 0 "[ . 1 . 2]"
1 58 PHE 0.046 0.006 20 0 "[ . 1 . 2]"
1 59 PRO 0.006 0.003 18 0 "[ . 1 . 2]"
1 60 SER 0.001 0.001 13 0 "[ . 1 . 2]"
1 61 VAL 0.001 0.001 13 0 "[ . 1 . 2]"
1 62 LEU 0.066 0.018 13 0 "[ . 1 . 2]"
1 63 VAL 0.038 0.018 13 0 "[ . 1 . 2]"
1 64 GLU 0.005 0.005 7 0 "[ . 1 . 2]"
1 65 GLU 0.002 0.002 20 0 "[ . 1 . 2]"
1 66 LEU 0.001 0.000 15 0 "[ . 1 . 2]"
1 67 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 GLY 0.005 0.005 12 0 "[ . 1 . 2]"
1 70 PRO 0.005 0.005 12 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 VAL H 1 8 VAL QG . . 3.490 2.230 1.920 2.935 . 0 0 "[ . 1 . 2]" 1
2 1 8 VAL H 1 9 CYS H . . 4.650 4.453 4.067 4.644 . 0 0 "[ . 1 . 2]" 1
3 1 8 VAL HA 1 8 VAL MG1 . . 3.670 2.570 2.152 3.203 . 0 0 "[ . 1 . 2]" 1
4 1 8 VAL HA 1 8 VAL MG2 . . 3.670 2.698 2.204 3.200 . 0 0 "[ . 1 . 2]" 1
5 1 8 VAL HA 1 9 CYS H . . 3.000 2.247 2.142 2.456 . 0 0 "[ . 1 . 2]" 1
6 1 8 VAL HB 1 9 CYS H . . 4.350 3.513 2.265 4.326 . 0 0 "[ . 1 . 2]" 1
7 1 8 VAL HB 1 10 PHE QE . . 4.860 3.433 2.099 4.771 . 0 0 "[ . 1 . 2]" 1
8 1 8 VAL QG 1 9 CYS H . . 4.000 2.663 1.878 3.561 . 0 0 "[ . 1 . 2]" 1
9 1 8 VAL QG 1 10 PHE QD . . 4.740 3.369 2.822 4.080 . 0 0 "[ . 1 . 2]" 1
10 1 8 VAL QG 1 10 PHE QE . . 3.800 2.289 1.799 3.179 . 0 0 "[ . 1 . 2]" 1
11 1 8 VAL QG 1 10 PHE HZ . . 5.160 3.166 2.114 4.025 . 0 0 "[ . 1 . 2]" 1
12 1 8 VAL QG 1 34 ARG QD . . 3.980 3.357 2.472 3.977 . 0 0 "[ . 1 . 2]" 1
13 1 8 VAL MG1 1 10 PHE QE . . 4.540 3.201 1.930 4.535 . 0 0 "[ . 1 . 2]" 1
14 1 8 VAL MG2 1 10 PHE QE . . 4.540 2.856 1.872 4.285 . 0 0 "[ . 1 . 2]" 1
15 1 9 CYS H 1 9 CYS HB2 . . 3.870 2.625 2.284 3.165 . 0 0 "[ . 1 . 2]" 1
16 1 9 CYS H 1 9 CYS HB3 . . 3.870 3.505 2.835 3.836 . 0 0 "[ . 1 . 2]" 1
17 1 9 CYS H 1 10 PHE H . . 4.650 4.445 4.258 4.591 . 0 0 "[ . 1 . 2]" 1
18 1 9 CYS H 1 35 ILE H . . 4.560 4.117 3.591 4.493 . 0 0 "[ . 1 . 2]" 1
19 1 9 CYS H 1 35 ILE HB . . 4.360 3.077 2.240 4.145 . 0 0 "[ . 1 . 2]" 1
20 1 9 CYS HA 1 10 PHE H . . 3.020 2.321 2.177 2.446 . 0 0 "[ . 1 . 2]" 1
21 1 9 CYS QB 1 10 PHE H . . 3.470 2.823 2.378 3.352 . 0 0 "[ . 1 . 2]" 1
22 1 9 CYS QB 1 35 ILE H . . 4.540 4.045 3.656 4.541 0.001 20 0 "[ . 1 . 2]" 1
23 1 9 CYS QB 1 35 ILE HB . . 3.380 2.398 1.996 3.018 . 0 0 "[ . 1 . 2]" 1
24 1 9 CYS QB 1 35 ILE MD . . 4.880 4.163 3.509 4.762 . 0 0 "[ . 1 . 2]" 1
25 1 9 CYS QB 1 35 ILE QG . . 4.730 2.731 1.993 3.380 . 0 0 "[ . 1 . 2]" 1
26 1 9 CYS QB 1 35 ILE MG . . 3.890 3.015 2.642 3.435 . 0 0 "[ . 1 . 2]" 1
27 1 9 CYS HB2 1 10 PHE H . . 4.270 3.998 3.687 4.226 . 0 0 "[ . 1 . 2]" 1
28 1 9 CYS HB2 1 35 ILE H . . 5.420 4.750 4.050 5.421 0.001 13 0 "[ . 1 . 2]" 1
29 1 9 CYS HB2 1 35 ILE HB . . 3.850 2.819 2.072 3.729 . 0 0 "[ . 1 . 2]" 1
30 1 9 CYS HB2 1 35 ILE MG . . 4.510 3.340 2.680 4.226 . 0 0 "[ . 1 . 2]" 1
31 1 9 CYS HB3 1 10 PHE H . . 4.270 2.902 2.408 3.534 . 0 0 "[ . 1 . 2]" 1
32 1 9 CYS HB3 1 35 ILE H . . 5.420 4.545 3.731 5.129 . 0 0 "[ . 1 . 2]" 1
33 1 9 CYS HB3 1 35 ILE HB . . 3.850 3.132 2.005 3.845 . 0 0 "[ . 1 . 2]" 1
34 1 9 CYS HB3 1 35 ILE MG . . 4.510 3.798 2.901 4.488 . 0 0 "[ . 1 . 2]" 1
35 1 10 PHE H 1 10 PHE HB2 . . 3.860 2.704 2.458 2.871 . 0 0 "[ . 1 . 2]" 1
36 1 10 PHE H 1 10 PHE HB3 . . 3.940 3.807 3.639 3.908 . 0 0 "[ . 1 . 2]" 1
37 1 10 PHE H 1 10 PHE QD . . 4.100 2.949 2.438 3.398 . 0 0 "[ . 1 . 2]" 1
38 1 10 PHE H 1 66 LEU H . . 5.370 4.317 3.894 4.665 . 0 0 "[ . 1 . 2]" 1
39 1 10 PHE H 1 66 LEU QB . . 4.910 4.132 3.608 4.641 . 0 0 "[ . 1 . 2]" 1
40 1 10 PHE H 1 66 LEU QD . . 4.460 4.063 3.705 4.434 . 0 0 "[ . 1 . 2]" 1
41 1 10 PHE HA 1 10 PHE QD . . 4.090 3.023 2.722 3.157 . 0 0 "[ . 1 . 2]" 1
42 1 10 PHE HA 1 11 VAL H . . 2.900 2.297 2.212 2.434 . 0 0 "[ . 1 . 2]" 1
43 1 10 PHE HA 1 11 VAL MG1 . . 4.580 3.492 3.294 3.700 . 0 0 "[ . 1 . 2]" 1
44 1 10 PHE HA 1 11 VAL MG2 . . 4.560 3.684 3.422 3.823 . 0 0 "[ . 1 . 2]" 1
45 1 10 PHE HA 1 32 ILE MG . . 4.740 3.944 3.503 4.348 . 0 0 "[ . 1 . 2]" 1
46 1 10 PHE HA 1 33 ILE H . . 5.200 4.335 3.976 4.673 . 0 0 "[ . 1 . 2]" 1
47 1 10 PHE HA 1 33 ILE HB . . 5.500 4.795 4.468 5.176 . 0 0 "[ . 1 . 2]" 1
48 1 10 PHE HA 1 34 ARG HA . . 3.600 2.943 2.634 3.175 . 0 0 "[ . 1 . 2]" 1
49 1 10 PHE HA 1 35 ILE H . . 3.760 2.662 2.534 2.848 . 0 0 "[ . 1 . 2]" 1
50 1 10 PHE HA 1 35 ILE QG . . 4.360 2.751 2.375 2.918 . 0 0 "[ . 1 . 2]" 1
51 1 10 PHE HA 1 66 LEU QD . . 5.190 4.092 3.821 4.505 . 0 0 "[ . 1 . 2]" 1
52 1 10 PHE HB2 1 11 VAL H . . 4.130 3.896 3.511 4.124 . 0 0 "[ . 1 . 2]" 1
53 1 10 PHE HB2 1 32 ILE MG . . 3.810 3.596 3.333 3.811 0.001 20 0 "[ . 1 . 2]" 1
54 1 10 PHE HB2 1 35 ILE H . . 5.500 5.443 5.314 5.499 . 0 0 "[ . 1 . 2]" 1
55 1 10 PHE HB2 1 66 LEU QB . . 4.100 3.349 2.921 3.695 . 0 0 "[ . 1 . 2]" 1
56 1 10 PHE HB2 1 66 LEU QD . . 3.640 2.377 1.980 2.757 . 0 0 "[ . 1 . 2]" 1
57 1 10 PHE HB2 1 66 LEU HG . . 5.160 4.584 3.894 5.044 . 0 0 "[ . 1 . 2]" 1
58 1 10 PHE HB3 1 11 VAL H . . 3.480 2.727 2.385 2.985 . 0 0 "[ . 1 . 2]" 1
59 1 10 PHE HB3 1 11 VAL MG1 . . 5.020 4.719 4.527 4.861 . 0 0 "[ . 1 . 2]" 1
60 1 10 PHE HB3 1 32 ILE MG . . 3.350 2.353 2.017 2.666 . 0 0 "[ . 1 . 2]" 1
61 1 10 PHE HB3 1 33 ILE H . . 4.800 3.841 3.469 4.540 . 0 0 "[ . 1 . 2]" 1
62 1 10 PHE HB3 1 66 LEU QB . . 4.800 4.269 3.560 4.800 0.000 7 0 "[ . 1 . 2]" 1
63 1 10 PHE HB3 1 66 LEU QD . . 3.780 2.451 1.901 2.940 . 0 0 "[ . 1 . 2]" 1
64 1 10 PHE HB3 1 66 LEU HG . . 5.500 4.636 3.806 5.205 . 0 0 "[ . 1 . 2]" 1
65 1 10 PHE QD 1 11 VAL H . . 4.640 3.796 3.492 4.060 . 0 0 "[ . 1 . 2]" 1
66 1 10 PHE QD 1 32 ILE MG . . 3.380 2.207 1.911 2.580 . 0 0 "[ . 1 . 2]" 1
67 1 10 PHE QD 1 33 ILE H . . 5.200 3.897 3.410 4.394 . 0 0 "[ . 1 . 2]" 1
68 1 10 PHE QD 1 34 ARG HA . . 4.150 2.759 2.349 3.304 . 0 0 "[ . 1 . 2]" 1
69 1 10 PHE QD 1 34 ARG HB2 . . 4.780 3.443 3.066 3.890 . 0 0 "[ . 1 . 2]" 1
70 1 10 PHE QE 1 32 ILE MG . . 4.260 3.665 3.233 4.140 . 0 0 "[ . 1 . 2]" 1
71 1 10 PHE QE 1 34 ARG HA . . 4.720 3.190 2.822 3.667 . 0 0 "[ . 1 . 2]" 1
72 1 10 PHE QE 1 34 ARG HB2 . . 4.070 2.213 2.007 2.656 . 0 0 "[ . 1 . 2]" 1
73 1 10 PHE QE 1 34 ARG HB3 . . 4.410 3.909 3.709 4.315 . 0 0 "[ . 1 . 2]" 1
74 1 10 PHE QE 1 34 ARG QD . . 4.480 3.349 2.491 4.229 . 0 0 "[ . 1 . 2]" 1
75 1 10 PHE QE 1 34 ARG QG . . 5.020 2.894 2.494 3.508 . 0 0 "[ . 1 . 2]" 1
76 1 10 PHE HZ 1 34 ARG QD . . 4.980 3.201 1.992 4.423 . 0 0 "[ . 1 . 2]" 1
77 1 10 PHE HZ 1 34 ARG HG2 . . 5.500 4.584 4.140 5.032 . 0 0 "[ . 1 . 2]" 1
78 1 10 PHE HZ 1 34 ARG QG . . 4.660 2.930 2.417 3.513 . 0 0 "[ . 1 . 2]" 1
79 1 10 PHE HZ 1 34 ARG HG3 . . 5.500 2.967 2.433 3.586 . 0 0 "[ . 1 . 2]" 1
80 1 11 VAL H 1 11 VAL MG1 . . 3.480 3.014 2.848 3.225 . 0 0 "[ . 1 . 2]" 1
81 1 11 VAL H 1 11 VAL MG2 . . 3.110 2.276 2.076 2.424 . 0 0 "[ . 1 . 2]" 1
82 1 11 VAL H 1 32 ILE MG . . 4.280 3.238 2.682 3.630 . 0 0 "[ . 1 . 2]" 1
83 1 11 VAL H 1 33 ILE H . . 3.560 2.646 2.339 2.953 . 0 0 "[ . 1 . 2]" 1
84 1 11 VAL H 1 33 ILE HB . . 4.050 3.441 3.159 3.823 . 0 0 "[ . 1 . 2]" 1
85 1 11 VAL H 1 33 ILE MG . . 4.800 4.450 4.219 4.801 0.001 6 0 "[ . 1 . 2]" 1
86 1 11 VAL H 1 34 ARG HA . . 4.510 4.312 3.940 4.510 . 3 0 "[ . 1 . 2]" 1
87 1 11 VAL H 1 35 ILE H . . 4.820 4.218 3.766 4.639 . 0 0 "[ . 1 . 2]" 1
88 1 11 VAL H 1 35 ILE MD . . 4.610 4.068 3.709 4.470 . 0 0 "[ . 1 . 2]" 1
89 1 11 VAL H 1 35 ILE QG . . 4.300 3.553 3.179 3.977 . 0 0 "[ . 1 . 2]" 1
90 1 11 VAL H 1 66 LEU QB . . 5.500 5.320 4.942 5.498 . 0 0 "[ . 1 . 2]" 1
91 1 11 VAL H 1 66 LEU QD . . 4.760 3.466 2.796 3.841 . 0 0 "[ . 1 . 2]" 1
92 1 11 VAL HA 1 11 VAL MG1 . . 3.220 2.352 2.292 2.441 . 0 0 "[ . 1 . 2]" 1
93 1 11 VAL HA 1 12 LYS H . . 3.040 2.241 2.191 2.278 . 0 0 "[ . 1 . 2]" 1
94 1 11 VAL HA 1 63 VAL HB . . 4.710 4.237 4.070 4.489 . 0 0 "[ . 1 . 2]" 1
95 1 11 VAL HA 1 63 VAL MG2 . . 4.680 4.427 4.211 4.633 . 0 0 "[ . 1 . 2]" 1
96 1 11 VAL HA 1 65 GLU HA . . 3.460 2.882 2.668 3.257 . 0 0 "[ . 1 . 2]" 1
97 1 11 VAL HA 1 66 LEU H . . 3.510 3.144 2.610 3.456 . 0 0 "[ . 1 . 2]" 1
98 1 11 VAL HA 1 66 LEU QB . . 4.410 4.123 3.617 4.337 . 0 0 "[ . 1 . 2]" 1
99 1 11 VAL HA 1 66 LEU QD . . 4.380 3.049 2.462 3.358 . 0 0 "[ . 1 . 2]" 1
100 1 11 VAL HA 1 66 LEU HG . . 4.470 2.793 2.410 3.148 . 0 0 "[ . 1 . 2]" 1
101 1 11 VAL HB 1 12 LYS H . . 3.140 2.829 2.700 3.022 . 0 0 "[ . 1 . 2]" 1
102 1 11 VAL HB 1 63 VAL HA . . 4.750 4.282 4.148 4.553 . 0 0 "[ . 1 . 2]" 1
103 1 11 VAL HB 1 63 VAL HB . . 3.070 2.128 2.002 2.323 . 0 0 "[ . 1 . 2]" 1
104 1 11 VAL HB 1 63 VAL MG1 . . 3.770 3.614 3.444 3.756 . 0 0 "[ . 1 . 2]" 1
105 1 11 VAL HB 1 63 VAL MG2 . . 3.320 2.266 2.027 2.489 . 0 0 "[ . 1 . 2]" 1
106 1 11 VAL HB 1 64 GLU H . . 3.670 3.010 2.613 3.302 . 0 0 "[ . 1 . 2]" 1
107 1 11 VAL MG1 1 12 LYS H . . 3.930 3.831 3.669 3.910 . 0 0 "[ . 1 . 2]" 1
108 1 11 VAL MG1 1 35 ILE QG . . 3.310 2.468 2.057 2.929 . 0 0 "[ . 1 . 2]" 1
109 1 11 VAL MG1 1 47 TRP HE3 . . 3.800 3.578 2.868 3.802 0.002 18 0 "[ . 1 . 2]" 1
110 1 11 VAL MG1 1 47 TRP HH2 . . 5.480 4.545 4.097 4.999 . 0 0 "[ . 1 . 2]" 1
111 1 11 VAL MG1 1 47 TRP HZ3 . . 3.180 2.725 2.135 3.111 . 0 0 "[ . 1 . 2]" 1
112 1 11 VAL MG1 1 63 VAL HB . . 3.820 3.654 3.507 3.819 . 0 0 "[ . 1 . 2]" 1
113 1 11 VAL MG1 1 64 GLU H . . 4.920 4.321 3.928 4.571 . 0 0 "[ . 1 . 2]" 1
114 1 11 VAL MG1 1 65 GLU H . . 4.250 3.947 3.653 4.236 . 0 0 "[ . 1 . 2]" 1
115 1 11 VAL MG1 1 65 GLU HA . . 2.940 2.204 1.983 2.675 . 0 0 "[ . 1 . 2]" 1
116 1 11 VAL MG1 1 65 GLU QB . . 4.110 3.690 3.279 4.094 . 0 0 "[ . 1 . 2]" 1
117 1 11 VAL MG1 1 65 GLU HG2 . . 4.020 3.347 2.449 4.022 0.002 20 0 "[ . 1 . 2]" 1
118 1 11 VAL MG1 1 65 GLU HG3 . . 4.020 2.947 2.110 3.731 . 0 0 "[ . 1 . 2]" 1
119 1 11 VAL MG1 1 66 LEU H . . 3.860 3.480 3.200 3.684 . 0 0 "[ . 1 . 2]" 1
120 1 11 VAL MG2 1 12 LYS H . . 4.190 3.712 3.603 3.972 . 0 0 "[ . 1 . 2]" 1
121 1 11 VAL MG2 1 33 ILE H . . 3.530 3.050 2.779 3.282 . 0 0 "[ . 1 . 2]" 1
122 1 11 VAL MG2 1 33 ILE HB . . 3.110 2.209 1.951 2.775 . 0 0 "[ . 1 . 2]" 1
123 1 11 VAL MG2 1 33 ILE MD . . 3.320 2.577 2.321 3.160 . 0 0 "[ . 1 . 2]" 1
124 1 11 VAL MG2 1 34 ARG H . . 5.500 5.136 4.801 5.490 . 0 0 "[ . 1 . 2]" 1
125 1 11 VAL MG2 1 47 TRP HE3 . . 4.940 3.693 3.263 4.072 . 0 0 "[ . 1 . 2]" 1
126 1 11 VAL MG2 1 58 PHE QD . . 4.980 3.956 3.621 4.237 . 0 0 "[ . 1 . 2]" 1
127 1 11 VAL MG2 1 58 PHE QE . . 4.000 2.765 2.403 2.958 . 0 0 "[ . 1 . 2]" 1
128 1 11 VAL MG2 1 58 PHE HZ . . 4.000 3.787 3.528 3.997 . 0 0 "[ . 1 . 2]" 1
129 1 11 VAL MG2 1 63 VAL HB . . 3.420 2.266 1.980 2.903 . 0 0 "[ . 1 . 2]" 1
130 1 11 VAL MG2 1 63 VAL MG2 . . 3.130 2.213 1.888 2.636 . 0 0 "[ . 1 . 2]" 1
131 1 11 VAL MG2 1 64 GLU H . . 4.520 4.062 3.764 4.454 . 0 0 "[ . 1 . 2]" 1
132 1 12 LYS H 1 12 LYS HB2 . . 3.780 2.848 2.571 3.073 . 0 0 "[ . 1 . 2]" 1
133 1 12 LYS H 1 12 LYS HB3 . . 3.430 2.549 2.401 2.818 . 0 0 "[ . 1 . 2]" 1
134 1 12 LYS H 1 32 ILE MD . . 4.690 4.195 3.536 4.692 0.002 6 0 "[ . 1 . 2]" 1
135 1 12 LYS H 1 63 VAL HA . . 4.880 4.542 4.381 4.813 . 0 0 "[ . 1 . 2]" 1
136 1 12 LYS H 1 63 VAL HB . . 3.910 3.512 3.389 3.703 . 0 0 "[ . 1 . 2]" 1
137 1 12 LYS H 1 63 VAL MG1 . . 4.840 4.660 4.524 4.826 . 0 0 "[ . 1 . 2]" 1
138 1 12 LYS H 1 63 VAL MG2 . . 5.140 4.480 4.246 4.706 . 0 0 "[ . 1 . 2]" 1
139 1 12 LYS H 1 64 GLU H . . 3.400 2.592 2.319 2.768 . 0 0 "[ . 1 . 2]" 1
140 1 12 LYS H 1 64 GLU QB . . 4.880 3.927 3.281 4.593 . 0 0 "[ . 1 . 2]" 1
141 1 12 LYS H 1 64 GLU QG . . 4.550 3.449 2.241 4.466 . 0 0 "[ . 1 . 2]" 1
142 1 12 LYS H 1 65 GLU HA . . 4.360 4.124 3.925 4.341 . 0 0 "[ . 1 . 2]" 1
143 1 12 LYS H 1 66 LEU H . . 4.960 4.531 3.858 4.924 . 0 0 "[ . 1 . 2]" 1
144 1 12 LYS H 1 66 LEU QB . . 5.500 5.084 4.648 5.340 . 0 0 "[ . 1 . 2]" 1
145 1 12 LYS H 1 66 LEU MD1 . . 4.380 3.666 2.478 4.108 . 0 0 "[ . 1 . 2]" 1
146 1 12 LYS H 1 66 LEU MD2 . . 4.380 3.643 2.786 4.274 . 0 0 "[ . 1 . 2]" 1
147 1 12 LYS H 1 66 LEU HG . . 4.640 3.121 2.648 3.374 . 0 0 "[ . 1 . 2]" 1
148 1 12 LYS HA 1 12 LYS QD . . 4.670 4.052 3.476 4.221 . 0 0 "[ . 1 . 2]" 1
149 1 12 LYS HA 1 12 LYS HG2 . . 4.120 2.943 2.431 3.439 . 0 0 "[ . 1 . 2]" 1
150 1 12 LYS HA 1 12 LYS QG . . 3.440 2.473 2.276 2.621 . 0 0 "[ . 1 . 2]" 1
151 1 12 LYS HA 1 12 LYS HG3 . . 4.120 2.727 2.382 3.564 . 0 0 "[ . 1 . 2]" 1
152 1 12 LYS HA 1 13 ALA H . . 2.770 2.163 2.146 2.289 . 0 0 "[ . 1 . 2]" 1
153 1 12 LYS HA 1 13 ALA MB . . 4.240 3.962 3.915 3.999 . 0 0 "[ . 1 . 2]" 1
154 1 12 LYS HA 1 32 ILE HA . . 3.620 2.476 2.001 2.818 . 0 0 "[ . 1 . 2]" 1
155 1 12 LYS HA 1 32 ILE MD . . 3.660 2.676 2.204 3.169 . 0 0 "[ . 1 . 2]" 1
156 1 12 LYS HA 1 32 ILE QG . . 4.880 4.093 2.457 4.874 . 0 0 "[ . 1 . 2]" 1
157 1 12 LYS HA 1 32 ILE MG . . 4.890 4.082 3.646 4.386 . 0 0 "[ . 1 . 2]" 1
158 1 12 LYS HA 1 33 ILE H . . 4.090 3.685 3.346 4.028 . 0 0 "[ . 1 . 2]" 1
159 1 12 LYS HA 1 66 LEU MD1 . . 5.500 4.037 3.080 4.417 . 0 0 "[ . 1 . 2]" 1
160 1 12 LYS HA 1 66 LEU QD . . 4.230 3.738 2.971 4.123 . 0 0 "[ . 1 . 2]" 1
161 1 12 LYS HA 1 66 LEU MD2 . . 5.500 4.488 3.906 5.212 . 0 0 "[ . 1 . 2]" 1
162 1 12 LYS HB2 1 12 LYS QD . . 3.570 2.511 2.243 3.388 . 0 0 "[ . 1 . 2]" 1
163 1 12 LYS HB2 1 12 LYS HE2 . . 4.860 3.985 3.033 4.860 . 0 0 "[ . 1 . 2]" 1
164 1 12 LYS HB2 1 12 LYS QE . . 4.200 3.602 2.957 4.146 . 0 0 "[ . 1 . 2]" 1
165 1 12 LYS HB2 1 12 LYS HE3 . . 4.860 4.297 3.463 4.862 0.002 13 0 "[ . 1 . 2]" 1
166 1 12 LYS HB2 1 32 ILE MD . . 4.030 2.421 1.996 3.036 . 0 0 "[ . 1 . 2]" 1
167 1 12 LYS HB2 1 64 GLU QG . . 5.500 4.399 3.121 5.437 . 0 0 "[ . 1 . 2]" 1
168 1 12 LYS HB2 1 66 LEU QD . . 3.600 2.386 1.851 3.009 . 0 0 "[ . 1 . 2]" 1
169 1 12 LYS HB3 1 12 LYS HE2 . . 4.820 2.991 2.092 4.693 . 0 0 "[ . 1 . 2]" 1
170 1 12 LYS HB3 1 12 LYS QE . . 4.080 2.631 2.037 4.030 . 0 0 "[ . 1 . 2]" 1
171 1 12 LYS HB3 1 12 LYS HE3 . . 4.820 3.355 2.057 4.388 . 0 0 "[ . 1 . 2]" 1
172 1 12 LYS HB3 1 13 ALA H . . 4.530 4.146 3.944 4.304 . 0 0 "[ . 1 . 2]" 1
173 1 12 LYS HB3 1 32 ILE MD . . 4.300 3.766 3.344 4.218 . 0 0 "[ . 1 . 2]" 1
174 1 12 LYS HB3 1 64 GLU H . . 4.720 3.527 3.310 3.745 . 0 0 "[ . 1 . 2]" 1
175 1 12 LYS HB3 1 64 GLU QB . . 4.360 3.640 2.768 4.360 . 0 0 "[ . 1 . 2]" 1
176 1 12 LYS HB3 1 64 GLU QG . . 4.520 3.188 1.983 4.448 . 0 0 "[ . 1 . 2]" 1
177 1 12 LYS HB3 1 66 LEU QD . . 3.860 3.073 1.966 3.684 . 0 0 "[ . 1 . 2]" 1
178 1 12 LYS QD 1 30 GLY QA . . 4.360 2.928 2.079 3.800 . 0 0 "[ . 1 . 2]" 1
179 1 12 LYS QD 1 32 ILE MD . . 3.980 3.067 2.404 3.797 . 0 0 "[ . 1 . 2]" 1
180 1 12 LYS QD 1 66 LEU QD . . 3.760 3.125 2.558 3.734 . 0 0 "[ . 1 . 2]" 1
181 1 12 LYS QE 1 12 LYS QG . . 3.170 2.189 2.051 2.413 . 0 0 "[ . 1 . 2]" 1
182 1 12 LYS QE 1 30 GLY QA . . 3.900 2.846 1.985 3.787 . 0 0 "[ . 1 . 2]" 1
183 1 12 LYS QE 1 66 LEU QD . . 4.650 4.143 3.074 4.649 . 0 0 "[ . 1 . 2]" 1
184 1 12 LYS HE2 1 14 LEU MD2 . . 4.250 3.313 2.486 4.222 . 0 0 "[ . 1 . 2]" 1
185 1 12 LYS HE3 1 14 LEU MD2 . . 4.250 3.399 2.352 4.107 . 0 0 "[ . 1 . 2]" 1
186 1 12 LYS QG 1 13 ALA H . . 3.830 2.684 2.064 2.882 . 0 0 "[ . 1 . 2]" 1
187 1 12 LYS QG 1 30 GLY H . . 4.660 3.914 3.595 4.393 . 0 0 "[ . 1 . 2]" 1
188 1 12 LYS QG 1 30 GLY QA . . 3.590 2.278 1.938 2.765 . 0 0 "[ . 1 . 2]" 1
189 1 12 LYS QG 1 32 ILE HA . . 4.360 3.800 3.453 4.327 . 0 0 "[ . 1 . 2]" 1
190 1 12 LYS QG 1 32 ILE MD . . 3.990 2.255 1.914 3.072 . 0 0 "[ . 1 . 2]" 1
191 1 13 ALA H 1 13 ALA MB . . 2.980 2.139 2.032 2.322 . 0 0 "[ . 1 . 2]" 1
192 1 13 ALA H 1 30 GLY H . . 4.410 4.022 3.598 4.306 . 0 0 "[ . 1 . 2]" 1
193 1 13 ALA H 1 31 ALA H . . 4.290 2.629 2.198 3.157 . 0 0 "[ . 1 . 2]" 1
194 1 13 ALA H 1 31 ALA MB . . 3.970 3.677 3.402 3.954 . 0 0 "[ . 1 . 2]" 1
195 1 13 ALA H 1 32 ILE HA . . 4.300 3.761 3.347 3.968 . 0 0 "[ . 1 . 2]" 1
196 1 13 ALA H 1 32 ILE MD . . 4.410 4.024 3.484 4.409 . 0 0 "[ . 1 . 2]" 1
197 1 13 ALA H 1 33 ILE MD . . 4.180 3.721 3.090 4.177 . 0 0 "[ . 1 . 2]" 1
198 1 13 ALA H 1 63 VAL MG1 . . 4.530 3.560 3.273 3.994 . 0 0 "[ . 1 . 2]" 1
199 1 13 ALA HA 1 14 LEU H . . 2.870 2.192 2.150 2.231 . 0 0 "[ . 1 . 2]" 1
200 1 13 ALA HA 1 14 LEU HG . . 4.200 4.090 3.935 4.199 . 0 0 "[ . 1 . 2]" 1
201 1 13 ALA HA 1 15 TYR H . . 3.950 3.634 3.518 3.773 . 0 0 "[ . 1 . 2]" 1
202 1 13 ALA HA 1 33 ILE MD . . 4.590 3.968 3.513 4.480 . 0 0 "[ . 1 . 2]" 1
203 1 13 ALA HA 1 63 VAL HA . . 3.390 2.159 2.001 2.498 . 0 0 "[ . 1 . 2]" 1
204 1 13 ALA HA 1 63 VAL HB . . 4.210 3.390 3.237 3.582 . 0 0 "[ . 1 . 2]" 1
205 1 13 ALA HA 1 63 VAL MG1 . . 3.000 2.159 1.997 2.380 . 0 0 "[ . 1 . 2]" 1
206 1 13 ALA HA 1 64 GLU H . . 4.510 3.874 3.693 4.104 . 0 0 "[ . 1 . 2]" 1
207 1 13 ALA MB 1 14 LEU H . . 3.760 3.482 3.375 3.550 . 0 0 "[ . 1 . 2]" 1
208 1 13 ALA MB 1 15 TYR H . . 3.490 3.318 3.084 3.463 . 0 0 "[ . 1 . 2]" 1
209 1 13 ALA MB 1 17 TYR H . . 4.900 3.884 3.547 4.254 . 0 0 "[ . 1 . 2]" 1
210 1 13 ALA MB 1 27 PHE HB2 . . 4.130 3.132 2.890 3.363 . 0 0 "[ . 1 . 2]" 1
211 1 13 ALA MB 1 27 PHE QD . . 3.220 2.218 2.022 2.446 . 0 0 "[ . 1 . 2]" 1
212 1 13 ALA MB 1 27 PHE QE . . 5.200 2.443 2.124 2.795 . 0 0 "[ . 1 . 2]" 1
213 1 13 ALA MB 1 27 PHE HZ . . 4.190 3.959 3.668 4.177 . 0 0 "[ . 1 . 2]" 1
214 1 13 ALA MB 1 29 GLU H . . 5.390 5.197 4.787 5.389 . 0 0 "[ . 1 . 2]" 1
215 1 13 ALA MB 1 29 GLU HA . . 3.550 3.427 3.080 3.539 . 0 0 "[ . 1 . 2]" 1
216 1 13 ALA MB 1 30 GLY H . . 3.300 2.569 1.913 2.844 . 0 0 "[ . 1 . 2]" 1
217 1 13 ALA MB 1 30 GLY QA . . 4.350 3.676 3.306 3.893 . 0 0 "[ . 1 . 2]" 1
218 1 13 ALA MB 1 31 ALA H . . 3.120 2.071 1.886 2.469 . 0 0 "[ . 1 . 2]" 1
219 1 13 ALA MB 1 31 ALA HA . . 5.060 4.363 4.203 4.576 . 0 0 "[ . 1 . 2]" 1
220 1 13 ALA MB 1 31 ALA MB . . 3.240 2.710 2.386 3.046 . 0 0 "[ . 1 . 2]" 1
221 1 13 ALA MB 1 33 ILE MD . . 3.330 2.752 2.409 3.248 . 0 0 "[ . 1 . 2]" 1
222 1 13 ALA MB 1 63 VAL HA . . 4.560 3.845 3.678 4.127 . 0 0 "[ . 1 . 2]" 1
223 1 13 ALA MB 1 63 VAL MG1 . . 3.550 2.601 2.434 3.007 . 0 0 "[ . 1 . 2]" 1
224 1 14 LEU H 1 14 LEU HB2 . . 3.290 2.526 2.425 2.607 . 0 0 "[ . 1 . 2]" 1
225 1 14 LEU H 1 14 LEU HB3 . . 3.850 3.585 3.582 3.588 . 0 0 "[ . 1 . 2]" 1
226 1 14 LEU H 1 14 LEU MD1 . . 4.140 3.324 3.108 3.521 . 0 0 "[ . 1 . 2]" 1
227 1 14 LEU H 1 14 LEU MD2 . . 4.090 3.505 3.246 3.727 . 0 0 "[ . 1 . 2]" 1
228 1 14 LEU H 1 14 LEU HG . . 3.250 2.173 2.033 2.389 . 0 0 "[ . 1 . 2]" 1
229 1 14 LEU H 1 15 TYR H . . 2.960 2.742 2.563 2.874 . 0 0 "[ . 1 . 2]" 1
230 1 14 LEU H 1 15 TYR QD . . 4.490 4.175 3.901 4.419 . 0 0 "[ . 1 . 2]" 1
231 1 14 LEU H 1 62 LEU HA . . 4.850 4.480 4.279 4.668 . 0 0 "[ . 1 . 2]" 1
232 1 14 LEU H 1 62 LEU HB3 . . 4.530 4.406 4.124 4.531 0.001 18 0 "[ . 1 . 2]" 1
233 1 14 LEU H 1 63 VAL H . . 5.070 4.358 4.102 4.615 . 0 0 "[ . 1 . 2]" 1
234 1 14 LEU H 1 63 VAL HA . . 3.230 2.058 1.936 2.236 . 0 0 "[ . 1 . 2]" 1
235 1 14 LEU H 1 63 VAL HB . . 4.610 4.315 4.162 4.508 . 0 0 "[ . 1 . 2]" 1
236 1 14 LEU H 1 63 VAL MG1 . . 3.900 3.581 3.494 3.716 . 0 0 "[ . 1 . 2]" 1
237 1 14 LEU H 1 64 GLU H . . 4.430 3.596 3.307 3.894 . 0 0 "[ . 1 . 2]" 1
238 1 14 LEU HA 1 14 LEU MD1 . . 4.220 3.917 3.881 3.938 . 0 0 "[ . 1 . 2]" 1
239 1 14 LEU HA 1 14 LEU MD2 . . 2.830 2.307 2.180 2.535 . 0 0 "[ . 1 . 2]" 1
240 1 14 LEU HA 1 14 LEU HG . . 4.120 2.943 2.825 3.103 . 0 0 "[ . 1 . 2]" 1
241 1 14 LEU HA 1 30 GLY H . . 4.650 4.488 4.311 4.651 0.001 3 0 "[ . 1 . 2]" 1
242 1 14 LEU HB2 1 14 LEU MD1 . . 3.190 2.215 2.109 2.336 . 0 0 "[ . 1 . 2]" 1
243 1 14 LEU HB2 1 15 TYR H . . 3.840 2.686 2.519 2.857 . 0 0 "[ . 1 . 2]" 1
244 1 14 LEU HB2 1 15 TYR QD . . 3.750 2.352 2.019 2.569 . 0 0 "[ . 1 . 2]" 1
245 1 14 LEU HB2 1 15 TYR QE . . 4.100 2.807 2.514 3.060 . 0 0 "[ . 1 . 2]" 1
246 1 14 LEU HB2 1 62 LEU HA . . 4.440 3.618 3.326 3.882 . 0 0 "[ . 1 . 2]" 1
247 1 14 LEU HB3 1 14 LEU MD2 . . 2.990 2.192 2.055 2.279 . 0 0 "[ . 1 . 2]" 1
248 1 14 LEU HB3 1 15 TYR H . . 4.740 3.719 3.592 3.870 . 0 0 "[ . 1 . 2]" 1
249 1 14 LEU HB3 1 15 TYR QD . . 4.230 3.391 3.193 3.623 . 0 0 "[ . 1 . 2]" 1
250 1 14 LEU HB3 1 15 TYR QE . . 4.470 3.025 2.758 3.311 . 0 0 "[ . 1 . 2]" 1
251 1 14 LEU MD1 1 15 TYR QD . . 4.470 3.575 3.425 3.725 . 0 0 "[ . 1 . 2]" 1
252 1 14 LEU MD1 1 15 TYR QE . . 4.050 2.640 2.284 2.984 . 0 0 "[ . 1 . 2]" 1
253 1 14 LEU MD1 1 62 LEU HA . . 4.720 3.494 3.207 3.904 . 0 0 "[ . 1 . 2]" 1
254 1 14 LEU MD1 1 63 VAL H . . 4.200 3.739 3.284 4.006 . 0 0 "[ . 1 . 2]" 1
255 1 14 LEU MD1 1 63 VAL HA . . 4.350 3.554 3.170 3.859 . 0 0 "[ . 1 . 2]" 1
256 1 14 LEU MD1 1 64 GLU H . . 4.670 3.907 3.579 4.296 . 0 0 "[ . 1 . 2]" 1
257 1 14 LEU MD1 1 64 GLU HB2 . . 3.770 2.749 1.969 3.632 . 0 0 "[ . 1 . 2]" 1
258 1 14 LEU MD1 1 64 GLU QB . . 3.310 2.120 1.955 2.361 . 0 0 "[ . 1 . 2]" 1
259 1 14 LEU MD1 1 64 GLU HB3 . . 3.770 2.799 2.067 3.620 . 0 0 "[ . 1 . 2]" 1
260 1 14 LEU MD1 1 64 GLU QG . . 4.060 3.785 3.612 4.060 0.000 8 0 "[ . 1 . 2]" 1
261 1 14 LEU MD2 1 15 TYR QE . . 4.790 4.195 3.827 4.406 . 0 0 "[ . 1 . 2]" 1
262 1 14 LEU MD2 1 63 VAL HA . . 4.890 4.388 3.974 4.659 . 0 0 "[ . 1 . 2]" 1
263 1 14 LEU MD2 1 64 GLU H . . 4.630 3.945 3.363 4.247 . 0 0 "[ . 1 . 2]" 1
264 1 14 LEU MD2 1 64 GLU HB2 . . 3.960 2.712 1.980 3.442 . 0 0 "[ . 1 . 2]" 1
265 1 14 LEU MD2 1 64 GLU HB3 . . 3.960 2.255 1.917 2.679 . 0 0 "[ . 1 . 2]" 1
266 1 14 LEU MD2 1 64 GLU QG . . 3.640 2.672 1.966 3.444 . 0 0 "[ . 1 . 2]" 1
267 1 14 LEU HG 1 63 VAL HA . . 3.720 2.889 2.573 3.133 . 0 0 "[ . 1 . 2]" 1
268 1 14 LEU HG 1 64 GLU H . . 4.020 3.130 2.807 3.549 . 0 0 "[ . 1 . 2]" 1
269 1 14 LEU HG 1 64 GLU HB2 . . 4.580 3.429 2.429 4.580 . 0 0 "[ . 1 . 2]" 1
270 1 14 LEU HG 1 64 GLU QB . . 4.010 2.442 2.203 2.813 . 0 0 "[ . 1 . 2]" 1
271 1 14 LEU HG 1 64 GLU HB3 . . 4.580 2.670 2.213 3.021 . 0 0 "[ . 1 . 2]" 1
272 1 14 LEU HG 1 64 GLU QG . . 4.620 3.761 2.824 4.464 . 0 0 "[ . 1 . 2]" 1
273 1 15 TYR H 1 15 TYR HB2 . . 3.450 2.853 2.696 2.973 . 0 0 "[ . 1 . 2]" 1
274 1 15 TYR H 1 15 TYR HB3 . . 4.050 3.864 3.792 3.927 . 0 0 "[ . 1 . 2]" 1
275 1 15 TYR H 1 16 ASP H . . 4.610 4.379 4.252 4.481 . 0 0 "[ . 1 . 2]" 1
276 1 15 TYR H 1 29 GLU HA . . 4.760 4.511 4.355 4.695 . 0 0 "[ . 1 . 2]" 1
277 1 15 TYR H 1 30 GLY H . . 4.760 4.694 4.597 4.760 0.000 13 0 "[ . 1 . 2]" 1
278 1 15 TYR H 1 62 LEU HB3 . . 4.190 3.046 2.797 3.290 . 0 0 "[ . 1 . 2]" 1
279 1 15 TYR H 1 62 LEU MD2 . . 4.370 4.029 3.715 4.307 . 0 0 "[ . 1 . 2]" 1
280 1 15 TYR H 1 63 VAL HA . . 4.680 4.346 4.250 4.479 . 0 0 "[ . 1 . 2]" 1
281 1 15 TYR HA 1 16 ASP H . . 3.160 2.258 2.150 2.471 . 0 0 "[ . 1 . 2]" 1
282 1 15 TYR HA 1 29 GLU QB . . 3.690 3.445 3.051 3.671 . 0 0 "[ . 1 . 2]" 1
283 1 15 TYR HB2 1 16 ASP H . . 4.150 3.766 3.272 4.063 . 0 0 "[ . 1 . 2]" 1
284 1 15 TYR HB2 1 62 LEU HB2 . . 4.980 4.754 4.436 4.970 . 0 0 "[ . 1 . 2]" 1
285 1 15 TYR HB2 1 62 LEU HB3 . . 4.410 3.067 2.761 3.276 . 0 0 "[ . 1 . 2]" 1
286 1 15 TYR HB2 1 62 LEU MD1 . . 3.930 3.502 3.237 3.666 . 0 0 "[ . 1 . 2]" 1
287 1 15 TYR HB2 1 62 LEU MD2 . . 3.510 2.730 2.283 3.065 . 0 0 "[ . 1 . 2]" 1
288 1 15 TYR HB3 1 16 ASP H . . 3.480 2.907 2.373 3.318 . 0 0 "[ . 1 . 2]" 1
289 1 15 TYR HB3 1 29 GLU QB . . 5.120 4.921 4.237 5.120 0.000 15 0 "[ . 1 . 2]" 1
290 1 15 TYR HB3 1 62 LEU MD1 . . 4.910 4.696 4.320 4.906 . 0 0 "[ . 1 . 2]" 1
291 1 15 TYR HB3 1 62 LEU MD2 . . 4.310 3.993 3.441 4.311 0.001 7 0 "[ . 1 . 2]" 1
292 1 15 TYR QD 1 16 ASP H . . 4.760 4.310 3.948 4.598 . 0 0 "[ . 1 . 2]" 1
293 1 15 TYR QD 1 62 LEU HA . . 3.530 2.892 2.615 3.140 . 0 0 "[ . 1 . 2]" 1
294 1 15 TYR QD 1 62 LEU HB2 . . 4.870 4.667 4.438 4.860 . 0 0 "[ . 1 . 2]" 1
295 1 15 TYR QD 1 62 LEU HB3 . . 3.650 3.076 2.802 3.361 . 0 0 "[ . 1 . 2]" 1
296 1 15 TYR QD 1 62 LEU MD1 . . 5.210 4.403 4.239 4.633 . 0 0 "[ . 1 . 2]" 1
297 1 15 TYR QD 1 62 LEU MD2 . . 3.140 2.493 2.143 2.829 . 0 0 "[ . 1 . 2]" 1
298 1 15 TYR QE 1 62 LEU HA . . 4.370 3.967 3.712 4.250 . 0 0 "[ . 1 . 2]" 1
299 1 15 TYR QE 1 62 LEU MD2 . . 4.210 3.792 3.471 4.027 . 0 0 "[ . 1 . 2]" 1
300 1 16 ASP H 1 16 ASP HB2 . . 3.930 3.433 2.823 3.636 . 0 0 "[ . 1 . 2]" 1
301 1 16 ASP H 1 16 ASP QB . . 3.230 2.558 2.176 2.825 . 0 0 "[ . 1 . 2]" 1
302 1 16 ASP H 1 16 ASP HB3 . . 3.930 2.674 2.209 3.537 . 0 0 "[ . 1 . 2]" 1
303 1 16 ASP H 1 17 TYR H . . 4.960 4.508 4.372 4.629 . 0 0 "[ . 1 . 2]" 1
304 1 16 ASP H 1 29 GLU H . . 4.650 4.296 3.849 4.646 . 0 0 "[ . 1 . 2]" 1
305 1 16 ASP H 1 29 GLU QB . . 3.970 2.595 2.136 2.955 . 0 0 "[ . 1 . 2]" 1
306 1 16 ASP QB 1 17 TYR H . . 3.490 3.321 2.976 3.491 0.001 17 0 "[ . 1 . 2]" 1
307 1 16 ASP QB 1 28 PRO HA . . 3.930 2.595 1.983 3.324 . 0 0 "[ . 1 . 2]" 1
308 1 16 ASP QB 1 29 GLU H . . 3.920 2.526 2.020 3.228 . 0 0 "[ . 1 . 2]" 1
309 1 16 ASP HB2 1 28 PRO HA . . 4.720 3.040 2.009 4.401 . 0 0 "[ . 1 . 2]" 1
310 1 16 ASP HB2 1 29 GLU H . . 4.620 3.712 2.551 4.590 . 0 0 "[ . 1 . 2]" 1
311 1 16 ASP HB3 1 28 PRO HA . . 4.720 3.110 2.394 4.684 . 0 0 "[ . 1 . 2]" 1
312 1 16 ASP HB3 1 29 GLU H . . 4.620 2.776 2.029 4.296 . 0 0 "[ . 1 . 2]" 1
313 1 17 TYR H 1 17 TYR HB2 . . 3.790 2.886 2.548 3.207 . 0 0 "[ . 1 . 2]" 1
314 1 17 TYR H 1 17 TYR HB3 . . 3.520 2.580 2.474 2.695 . 0 0 "[ . 1 . 2]" 1
315 1 17 TYR H 1 17 TYR QD . . 4.590 4.220 4.071 4.327 . 0 0 "[ . 1 . 2]" 1
316 1 17 TYR H 1 18 GLU H . . 4.590 4.443 4.182 4.589 . 0 0 "[ . 1 . 2]" 1
317 1 17 TYR H 1 27 PHE H . . 3.470 3.053 2.706 3.364 . 0 0 "[ . 1 . 2]" 1
318 1 17 TYR H 1 27 PHE QD . . 4.160 2.702 2.502 2.925 . 0 0 "[ . 1 . 2]" 1
319 1 17 TYR H 1 27 PHE HZ . . 5.500 5.401 5.073 5.502 0.002 13 0 "[ . 1 . 2]" 1
320 1 17 TYR H 1 28 PRO HA . . 4.560 4.333 4.160 4.553 . 0 0 "[ . 1 . 2]" 1
321 1 17 TYR HA 1 17 TYR QD . . 3.340 2.739 1.999 3.246 . 0 0 "[ . 1 . 2]" 1
322 1 17 TYR HA 1 17 TYR QE . . 5.360 4.596 4.235 4.859 . 0 0 "[ . 1 . 2]" 1
323 1 17 TYR HA 1 18 GLU H . . 2.740 2.176 2.141 2.253 . 0 0 "[ . 1 . 2]" 1
324 1 17 TYR HB2 1 18 GLU H . . 4.430 4.187 4.035 4.400 . 0 0 "[ . 1 . 2]" 1
325 1 17 TYR HB2 1 27 PHE H . . 4.710 4.334 3.715 4.714 0.004 18 0 "[ . 1 . 2]" 1
326 1 17 TYR HB2 1 27 PHE QE . . 4.580 2.306 2.000 2.737 . 0 0 "[ . 1 . 2]" 1
327 1 17 TYR HB2 1 27 PHE HZ . . 4.350 3.580 3.272 4.150 . 0 0 "[ . 1 . 2]" 1
328 1 17 TYR HB2 1 62 LEU HB3 . . 4.640 3.879 3.115 4.407 . 0 0 "[ . 1 . 2]" 1
329 1 17 TYR HB2 1 62 LEU MD1 . . 3.640 2.391 1.899 3.118 . 0 0 "[ . 1 . 2]" 1
330 1 17 TYR HB3 1 18 GLU H . . 4.560 4.103 3.744 4.349 . 0 0 "[ . 1 . 2]" 1
331 1 17 TYR HB3 1 27 PHE H . . 3.890 2.736 2.179 3.106 . 0 0 "[ . 1 . 2]" 1
332 1 17 TYR HB3 1 27 PHE QE . . 4.620 2.654 2.428 3.243 . 0 0 "[ . 1 . 2]" 1
333 1 17 TYR HB3 1 27 PHE HZ . . 4.460 3.433 3.221 3.829 . 0 0 "[ . 1 . 2]" 1
334 1 17 TYR HB3 1 62 LEU MD1 . . 4.440 3.826 3.166 4.444 0.004 15 0 "[ . 1 . 2]" 1
335 1 17 TYR QD 1 18 GLU H . . 3.730 3.023 2.437 3.613 . 0 0 "[ . 1 . 2]" 1
336 1 17 TYR QD 1 19 GLY H . . 4.680 3.400 2.307 4.408 . 0 0 "[ . 1 . 2]" 1
337 1 17 TYR QD 1 19 GLY HA2 . . 5.040 3.873 3.073 4.300 . 0 0 "[ . 1 . 2]" 1
338 1 17 TYR QD 1 19 GLY QA . . 4.420 3.561 2.892 3.997 . 0 0 "[ . 1 . 2]" 1
339 1 17 TYR QD 1 19 GLY HA3 . . 5.040 4.184 3.526 4.816 . 0 0 "[ . 1 . 2]" 1
340 1 17 TYR QD 1 25 LEU H . . 5.500 4.092 3.650 4.559 . 0 0 "[ . 1 . 2]" 1
341 1 17 TYR QD 1 26 SER HA . . 5.030 2.892 2.129 3.784 . 0 0 "[ . 1 . 2]" 1
342 1 17 TYR QD 1 27 PHE H . . 4.490 3.763 3.202 4.282 . 0 0 "[ . 1 . 2]" 1
343 1 17 TYR QD 1 27 PHE QE . . 5.080 3.505 3.088 3.799 . 0 0 "[ . 1 . 2]" 1
344 1 17 TYR QD 1 27 PHE HZ . . 4.350 3.412 2.810 3.829 . 0 0 "[ . 1 . 2]" 1
345 1 17 TYR QD 1 58 PHE HB2 . . 4.620 4.503 4.053 4.620 . 0 0 "[ . 1 . 2]" 1
346 1 17 TYR QD 1 58 PHE HB3 . . 5.490 4.098 3.389 4.669 . 0 0 "[ . 1 . 2]" 1
347 1 17 TYR QD 1 59 PRO HD2 . . 4.700 3.533 3.114 3.976 . 0 0 "[ . 1 . 2]" 1
348 1 17 TYR QD 1 59 PRO HD3 . . 4.780 4.045 3.593 4.370 . 0 0 "[ . 1 . 2]" 1
349 1 17 TYR QD 1 62 LEU MD1 . . 3.540 1.943 1.776 2.260 . 0 0 "[ . 1 . 2]" 1
350 1 17 TYR QD 1 62 LEU MD2 . . 4.630 4.234 3.733 4.639 0.009 15 0 "[ . 1 . 2]" 1
351 1 17 TYR QE 1 18 GLU H . . 4.850 4.164 3.673 4.772 . 0 0 "[ . 1 . 2]" 1
352 1 17 TYR QE 1 19 GLY H . . 4.800 3.908 2.797 4.804 0.004 18 0 "[ . 1 . 2]" 1
353 1 17 TYR QE 1 19 GLY QA . . 3.540 2.475 1.895 3.213 . 0 0 "[ . 1 . 2]" 1
354 1 17 TYR QE 1 20 GLN H . . 4.510 4.160 3.586 4.509 . 0 0 "[ . 1 . 2]" 1
355 1 17 TYR QE 1 24 GLU HB2 . . 4.490 3.915 3.244 4.492 0.002 16 0 "[ . 1 . 2]" 1
356 1 17 TYR QE 1 24 GLU HB3 . . 3.900 2.619 2.191 3.024 . 0 0 "[ . 1 . 2]" 1
357 1 17 TYR QE 1 24 GLU HG2 . . 5.470 4.267 3.557 5.093 . 0 0 "[ . 1 . 2]" 1
358 1 17 TYR QE 1 24 GLU QG . . 4.600 3.820 3.430 4.172 . 0 0 "[ . 1 . 2]" 1
359 1 17 TYR QE 1 24 GLU HG3 . . 5.470 4.657 3.723 5.195 . 0 0 "[ . 1 . 2]" 1
360 1 17 TYR QE 1 25 LEU H . . 4.550 3.238 2.846 3.838 . 0 0 "[ . 1 . 2]" 1
361 1 17 TYR QE 1 58 PHE HA . . 5.160 3.405 2.920 3.814 . 0 0 "[ . 1 . 2]" 1
362 1 17 TYR QE 1 58 PHE HB2 . . 4.710 4.529 3.409 4.712 0.002 20 0 "[ . 1 . 2]" 1
363 1 17 TYR QE 1 58 PHE HB3 . . 4.840 4.203 3.364 4.625 . 0 0 "[ . 1 . 2]" 1
364 1 17 TYR QE 1 59 PRO HD2 . . 4.390 3.072 1.998 3.688 . 0 0 "[ . 1 . 2]" 1
365 1 17 TYR QE 1 59 PRO HD3 . . 4.160 2.492 2.000 3.146 . 0 0 "[ . 1 . 2]" 1
366 1 17 TYR QE 1 59 PRO HG2 . . 4.800 4.054 3.127 4.797 . 0 0 "[ . 1 . 2]" 1
367 1 17 TYR QE 1 59 PRO QG . . 4.050 2.878 2.027 3.673 . 0 0 "[ . 1 . 2]" 1
368 1 17 TYR QE 1 59 PRO HG3 . . 4.800 2.953 2.046 3.813 . 0 0 "[ . 1 . 2]" 1
369 1 17 TYR QE 1 62 LEU MD1 . . 4.390 2.974 2.174 3.499 . 0 0 "[ . 1 . 2]" 1
370 1 18 GLU H 1 18 GLU HB2 . . 3.720 2.865 2.333 3.751 0.031 18 0 "[ . 1 . 2]" 1
371 1 18 GLU H 1 18 GLU QB . . 3.130 2.536 2.303 3.067 . 0 0 "[ . 1 . 2]" 1
372 1 18 GLU H 1 18 GLU HB3 . . 3.720 3.169 2.448 3.720 . 0 0 "[ . 1 . 2]" 1
373 1 18 GLU H 1 18 GLU HG2 . . 4.690 3.602 1.900 4.691 0.001 16 0 "[ . 1 . 2]" 1
374 1 18 GLU H 1 18 GLU QG . . 4.070 3.172 1.866 4.056 . 0 0 "[ . 1 . 2]" 1
375 1 18 GLU H 1 18 GLU HG3 . . 4.690 3.840 2.413 4.691 0.001 13 0 "[ . 1 . 2]" 1
376 1 18 GLU H 1 19 GLY H . . 4.830 4.064 3.615 4.411 . 0 0 "[ . 1 . 2]" 1
377 1 18 GLU HA 1 19 GLY H . . 2.810 2.215 2.144 2.377 . 0 0 "[ . 1 . 2]" 1
378 1 18 GLU HA 1 19 GLY QA . . 4.530 3.959 3.896 4.042 . 0 0 "[ . 1 . 2]" 1
379 1 18 GLU HA 1 26 SER QB . . 3.690 2.875 2.323 3.518 . 0 0 "[ . 1 . 2]" 1
380 1 18 GLU HA 1 27 PHE H . . 4.990 4.556 4.021 4.824 . 0 0 "[ . 1 . 2]" 1
381 1 18 GLU QB 1 19 GLY H . . 4.080 3.732 3.192 4.055 . 0 0 "[ . 1 . 2]" 1
382 1 18 GLU HB2 1 19 GLY H . . 4.640 4.331 3.322 4.635 . 0 0 "[ . 1 . 2]" 1
383 1 18 GLU HB3 1 19 GLY H . . 4.640 4.164 3.564 4.527 . 0 0 "[ . 1 . 2]" 1
384 1 18 GLU QG 1 19 GLY H . . 4.810 4.116 2.847 4.754 . 0 0 "[ . 1 . 2]" 1
385 1 19 GLY H 1 20 GLN H . . 4.720 4.517 4.354 4.621 . 0 0 "[ . 1 . 2]" 1
386 1 19 GLY H 1 24 GLU HB3 . . 5.020 4.728 4.356 4.982 . 0 0 "[ . 1 . 2]" 1
387 1 19 GLY H 1 26 SER H . . 4.880 4.493 4.098 4.838 . 0 0 "[ . 1 . 2]" 1
388 1 19 GLY H 1 26 SER QB . . 3.670 2.401 1.857 3.226 . 0 0 "[ . 1 . 2]" 1
389 1 19 GLY QA 1 20 GLN H . . 2.860 2.123 2.110 2.157 . 0 0 "[ . 1 . 2]" 1
390 1 19 GLY QA 1 24 GLU H . . 4.770 4.426 3.995 4.657 . 0 0 "[ . 1 . 2]" 1
391 1 19 GLY HA2 1 20 GLN H . . 3.550 2.156 2.138 2.209 . 0 0 "[ . 1 . 2]" 1
392 1 19 GLY HA2 1 21 THR H . . 4.160 3.939 3.714 4.146 . 0 0 "[ . 1 . 2]" 1
393 1 19 GLY HA2 1 24 GLU HB2 . . 3.870 3.026 2.567 3.398 . 0 0 "[ . 1 . 2]" 1
394 1 19 GLY HA2 1 24 GLU HB3 . . 4.070 2.870 2.387 3.219 . 0 0 "[ . 1 . 2]" 1
395 1 19 GLY HA3 1 20 GLN H . . 3.550 3.192 3.015 3.378 . 0 0 "[ . 1 . 2]" 1
396 1 19 GLY HA3 1 21 THR H . . 4.160 3.909 3.550 4.101 . 0 0 "[ . 1 . 2]" 1
397 1 19 GLY HA3 1 24 GLU HB2 . . 3.870 2.655 2.265 3.181 . 0 0 "[ . 1 . 2]" 1
398 1 19 GLY HA3 1 24 GLU HB3 . . 4.070 2.925 2.547 3.257 . 0 0 "[ . 1 . 2]" 1
399 1 20 GLN H 1 20 GLN HB2 . . 3.810 2.417 2.255 2.532 . 0 0 "[ . 1 . 2]" 1
400 1 20 GLN H 1 20 GLN QB . . 3.040 2.381 2.230 2.487 . 0 0 "[ . 1 . 2]" 1
401 1 20 GLN H 1 20 GLN HB3 . . 3.810 3.583 3.534 3.633 . 0 0 "[ . 1 . 2]" 1
402 1 20 GLN H 1 20 GLN QE . . 5.010 4.315 2.337 5.006 . 0 0 "[ . 1 . 2]" 1
403 1 20 GLN H 1 20 GLN HG2 . . 3.900 2.786 2.116 3.797 . 0 0 "[ . 1 . 2]" 1
404 1 20 GLN H 1 20 GLN QG . . 3.410 2.493 2.101 3.307 . 0 0 "[ . 1 . 2]" 1
405 1 20 GLN H 1 20 GLN HG3 . . 3.900 3.348 2.510 3.821 . 0 0 "[ . 1 . 2]" 1
406 1 20 GLN H 1 21 THR H . . 3.020 2.607 2.325 2.961 . 0 0 "[ . 1 . 2]" 1
407 1 20 GLN H 1 21 THR MG . . 4.810 4.570 4.032 4.810 . 0 0 "[ . 1 . 2]" 1
408 1 20 GLN H 1 24 GLU H . . 5.500 5.284 4.885 5.491 . 0 0 "[ . 1 . 2]" 1
409 1 20 GLN H 1 24 GLU HB2 . . 4.200 3.356 2.984 3.520 . 0 0 "[ . 1 . 2]" 1
410 1 20 GLN H 1 24 GLU HB3 . . 4.150 3.965 3.621 4.147 . 0 0 "[ . 1 . 2]" 1
411 1 20 GLN HA 1 20 GLN HE21 . . 5.080 3.681 2.596 4.525 . 0 0 "[ . 1 . 2]" 1
412 1 20 GLN HA 1 20 GLN QE . . 4.380 3.437 2.469 4.111 . 0 0 "[ . 1 . 2]" 1
413 1 20 GLN HA 1 20 GLN HE22 . . 5.080 4.367 3.017 5.085 0.005 18 0 "[ . 1 . 2]" 1
414 1 20 GLN HA 1 20 GLN QG . . 3.590 2.623 2.131 3.016 . 0 0 "[ . 1 . 2]" 1
415 1 20 GLN QB 1 21 THR H . . 3.230 2.608 2.416 2.970 . 0 0 "[ . 1 . 2]" 1
416 1 20 GLN HB2 1 21 THR MG . . 3.940 3.141 2.790 3.484 . 0 0 "[ . 1 . 2]" 1
417 1 20 GLN HB3 1 21 THR MG . . 3.940 3.093 2.666 3.846 . 0 0 "[ . 1 . 2]" 1
418 1 21 THR H 1 21 THR MG . . 3.650 2.861 2.148 3.132 . 0 0 "[ . 1 . 2]" 1
419 1 21 THR H 1 24 GLU H . . 3.850 3.573 3.331 3.820 . 0 0 "[ . 1 . 2]" 1
420 1 21 THR H 1 24 GLU HB2 . . 3.590 2.803 2.636 2.969 . 0 0 "[ . 1 . 2]" 1
421 1 21 THR H 1 24 GLU HB3 . . 4.440 4.337 4.155 4.441 0.001 17 0 "[ . 1 . 2]" 1
422 1 21 THR H 1 24 GLU QG . . 4.000 3.303 2.875 3.895 . 0 0 "[ . 1 . 2]" 1
423 1 21 THR HB 1 22 ASP H . . 4.530 2.469 2.067 3.722 . 0 0 "[ . 1 . 2]" 1
424 1 21 THR HB 1 23 ASP H . . 4.030 3.096 2.779 4.031 0.001 18 0 "[ . 1 . 2]" 1
425 1 21 THR MG 1 23 ASP H . . 4.730 4.243 2.106 4.557 . 0 0 "[ . 1 . 2]" 1
426 1 21 THR MG 1 24 GLU QG . . 4.810 4.351 2.623 4.799 . 0 0 "[ . 1 . 2]" 1
427 1 22 ASP H 1 23 ASP H . . 4.650 2.803 2.592 2.986 . 0 0 "[ . 1 . 2]" 1
428 1 22 ASP HA 1 24 GLU H . . 4.130 4.056 3.757 4.129 . 0 0 "[ . 1 . 2]" 1
429 1 22 ASP QB 1 23 ASP H . . 4.230 2.832 2.388 3.699 . 0 0 "[ . 1 . 2]" 1
430 1 23 ASP H 1 23 ASP HB2 . . 4.120 2.721 2.183 3.583 . 0 0 "[ . 1 . 2]" 1
431 1 23 ASP H 1 23 ASP QB . . 3.340 2.478 2.126 2.809 . 0 0 "[ . 1 . 2]" 1
432 1 23 ASP H 1 23 ASP HB3 . . 4.120 3.290 2.174 3.606 . 0 0 "[ . 1 . 2]" 1
433 1 23 ASP H 1 24 GLU H . . 3.080 2.873 2.502 2.958 . 0 0 "[ . 1 . 2]" 1
434 1 23 ASP H 1 24 GLU HB2 . . 5.280 5.017 4.510 5.193 . 0 0 "[ . 1 . 2]" 1
435 1 23 ASP QB 1 24 GLU H . . 3.960 2.743 2.518 3.276 . 0 0 "[ . 1 . 2]" 1
436 1 23 ASP QB 1 57 VAL MG2 . . 4.040 3.185 2.811 3.920 . 0 0 "[ . 1 . 2]" 1
437 1 23 ASP HB2 1 24 GLU H . . 4.680 3.011 2.565 4.155 . 0 0 "[ . 1 . 2]" 1
438 1 23 ASP HB3 1 24 GLU H . . 4.680 3.567 2.715 4.095 . 0 0 "[ . 1 . 2]" 1
439 1 24 GLU H 1 24 GLU HB2 . . 3.210 2.362 2.253 2.487 . 0 0 "[ . 1 . 2]" 1
440 1 24 GLU H 1 24 GLU HB3 . . 3.720 3.581 3.537 3.625 . 0 0 "[ . 1 . 2]" 1
441 1 24 GLU H 1 24 GLU HG2 . . 3.960 3.458 2.434 3.952 . 0 0 "[ . 1 . 2]" 1
442 1 24 GLU H 1 24 GLU QG . . 3.320 2.589 2.247 3.213 . 0 0 "[ . 1 . 2]" 1
443 1 24 GLU H 1 24 GLU HG3 . . 3.960 2.932 2.275 3.737 . 0 0 "[ . 1 . 2]" 1
444 1 24 GLU H 1 25 LEU H . . 4.760 4.540 4.500 4.573 . 0 0 "[ . 1 . 2]" 1
445 1 24 GLU H 1 57 VAL H . . 4.870 4.397 4.114 4.633 . 0 0 "[ . 1 . 2]" 1
446 1 24 GLU H 1 57 VAL MG2 . . 4.620 3.909 3.632 4.264 . 0 0 "[ . 1 . 2]" 1
447 1 24 GLU HA 1 24 GLU HG2 . . 4.050 2.659 2.319 3.605 . 0 0 "[ . 1 . 2]" 1
448 1 24 GLU HA 1 24 GLU QG . . 3.420 2.453 2.270 2.808 . 0 0 "[ . 1 . 2]" 1
449 1 24 GLU HA 1 24 GLU HG3 . . 4.050 3.111 2.369 3.736 . 0 0 "[ . 1 . 2]" 1
450 1 24 GLU HA 1 25 LEU H . . 2.940 2.573 2.480 2.646 . 0 0 "[ . 1 . 2]" 1
451 1 24 GLU HA 1 56 GLY HA3 . . 4.790 3.564 2.996 3.861 . 0 0 "[ . 1 . 2]" 1
452 1 24 GLU HA 1 57 VAL H . . 3.100 2.005 1.898 2.245 . 0 0 "[ . 1 . 2]" 1
453 1 24 GLU HA 1 57 VAL MG2 . . 3.460 2.060 1.884 2.403 . 0 0 "[ . 1 . 2]" 1
454 1 24 GLU HB2 1 25 LEU H . . 4.200 3.401 3.234 3.501 . 0 0 "[ . 1 . 2]" 1
455 1 24 GLU HB2 1 57 VAL MG2 . . 4.750 4.396 4.130 4.636 . 0 0 "[ . 1 . 2]" 1
456 1 24 GLU HB3 1 25 LEU H . . 3.620 2.070 1.929 2.256 . 0 0 "[ . 1 . 2]" 1
457 1 24 GLU HB3 1 57 VAL MG2 . . 4.500 3.867 3.469 4.215 . 0 0 "[ . 1 . 2]" 1
458 1 24 GLU QG 1 25 LEU H . . 4.050 3.727 3.377 4.049 . 0 0 "[ . 1 . 2]" 1
459 1 24 GLU QG 1 57 VAL MG2 . . 3.330 2.646 2.244 3.007 . 0 0 "[ . 1 . 2]" 1
460 1 24 GLU HG2 1 25 LEU H . . 4.770 4.008 3.490 4.615 . 0 0 "[ . 1 . 2]" 1
461 1 24 GLU HG2 1 57 VAL MG2 . . 3.910 2.845 2.272 3.828 . 0 0 "[ . 1 . 2]" 1
462 1 24 GLU HG3 1 25 LEU H . . 4.770 4.533 3.921 4.717 . 0 0 "[ . 1 . 2]" 1
463 1 24 GLU HG3 1 57 VAL MG2 . . 3.910 3.439 2.425 3.906 . 0 0 "[ . 1 . 2]" 1
464 1 25 LEU H 1 25 LEU HB2 . . 3.340 2.738 2.721 2.774 . 0 0 "[ . 1 . 2]" 1
465 1 25 LEU H 1 25 LEU HB3 . . 3.490 2.917 2.886 2.941 . 0 0 "[ . 1 . 2]" 1
466 1 25 LEU H 1 25 LEU MD1 . . 4.710 4.084 4.024 4.169 . 0 0 "[ . 1 . 2]" 1
467 1 25 LEU H 1 25 LEU MD2 . . 4.610 4.535 4.492 4.565 . 0 0 "[ . 1 . 2]" 1
468 1 25 LEU H 1 25 LEU HG . . 4.730 4.676 4.659 4.690 . 0 0 "[ . 1 . 2]" 1
469 1 25 LEU H 1 26 SER H . . 4.740 4.380 4.352 4.450 . 0 0 "[ . 1 . 2]" 1
470 1 25 LEU H 1 56 GLY HA2 . . 5.310 5.245 5.036 5.312 0.002 14 0 "[ . 1 . 2]" 1
471 1 25 LEU H 1 56 GLY HA3 . . 4.370 3.871 3.691 3.988 . 0 0 "[ . 1 . 2]" 1
472 1 25 LEU H 1 57 VAL H . . 3.730 3.293 2.922 3.709 . 0 0 "[ . 1 . 2]" 1
473 1 25 LEU H 1 57 VAL MG2 . . 4.270 3.897 3.491 4.270 0.000 14 0 "[ . 1 . 2]" 1
474 1 25 LEU H 1 58 PHE HB3 . . 4.250 4.199 3.858 4.250 0.000 15 0 "[ . 1 . 2]" 1
475 1 25 LEU H 1 58 PHE QD . . 4.880 4.534 4.260 4.739 . 0 0 "[ . 1 . 2]" 1
476 1 25 LEU HA 1 25 LEU MD1 . . 3.380 2.083 1.984 2.282 . 0 0 "[ . 1 . 2]" 1
477 1 25 LEU HA 1 25 LEU MD2 . . 3.930 3.831 3.827 3.840 . 0 0 "[ . 1 . 2]" 1
478 1 25 LEU HA 1 26 SER H . . 2.850 2.171 2.159 2.240 . 0 0 "[ . 1 . 2]" 1
479 1 25 LEU HB2 1 25 LEU MD1 . . 3.270 2.299 2.159 2.353 . 0 0 "[ . 1 . 2]" 1
480 1 25 LEU HB2 1 25 LEU MD2 . . 3.470 2.452 2.383 2.528 . 0 0 "[ . 1 . 2]" 1
481 1 25 LEU HB2 1 26 SER H . . 4.770 4.345 4.213 4.374 . 0 0 "[ . 1 . 2]" 1
482 1 25 LEU HB2 1 27 PHE QD . . 4.820 4.540 4.500 4.588 . 0 0 "[ . 1 . 2]" 1
483 1 25 LEU HB2 1 27 PHE HZ . . 5.500 5.498 5.487 5.502 0.002 8 0 "[ . 1 . 2]" 1
484 1 25 LEU HB2 1 56 GLY H . . 4.280 3.649 3.000 3.935 . 0 0 "[ . 1 . 2]" 1
485 1 25 LEU HB2 1 56 GLY HA3 . . 4.250 2.580 2.216 2.792 . 0 0 "[ . 1 . 2]" 1
486 1 25 LEU HB2 1 58 PHE HB3 . . 4.480 4.136 3.689 4.415 . 0 0 "[ . 1 . 2]" 1
487 1 25 LEU HB2 1 58 PHE QD . . 4.150 3.207 2.958 3.418 . 0 0 "[ . 1 . 2]" 1
488 1 25 LEU HB3 1 25 LEU MD2 . . 3.460 2.251 2.091 2.317 . 0 0 "[ . 1 . 2]" 1
489 1 25 LEU HB3 1 26 SER H . . 3.910 3.835 3.609 3.905 . 0 0 "[ . 1 . 2]" 1
490 1 25 LEU HB3 1 27 PHE QD . . 4.060 3.151 3.078 3.216 . 0 0 "[ . 1 . 2]" 1
491 1 25 LEU HB3 1 27 PHE QE . . 4.400 2.025 1.999 2.110 . 0 0 "[ . 1 . 2]" 1
492 1 25 LEU HB3 1 27 PHE HZ . . 4.590 3.998 3.949 4.037 . 0 0 "[ . 1 . 2]" 1
493 1 25 LEU HB3 1 58 PHE HB2 . . 5.260 5.095 4.725 5.248 . 0 0 "[ . 1 . 2]" 1
494 1 25 LEU HB3 1 58 PHE HB3 . . 4.310 3.373 3.044 3.559 . 0 0 "[ . 1 . 2]" 1
495 1 25 LEU HB3 1 58 PHE QD . . 3.950 3.530 3.110 3.842 . 0 0 "[ . 1 . 2]" 1
496 1 25 LEU MD1 1 26 SER H . . 3.650 3.277 3.083 3.401 . 0 0 "[ . 1 . 2]" 1
497 1 25 LEU MD1 1 27 PHE QD . . 4.330 4.087 3.958 4.170 . 0 0 "[ . 1 . 2]" 1
498 1 25 LEU MD1 1 33 ILE MD . . 5.210 4.915 4.497 5.203 . 0 0 "[ . 1 . 2]" 1
499 1 25 LEU MD1 1 49 GLY H . . 4.640 4.245 3.729 4.614 . 0 0 "[ . 1 . 2]" 1
500 1 25 LEU MD1 1 50 GLU HA . . 4.220 3.514 3.195 3.855 . 0 0 "[ . 1 . 2]" 1
501 1 25 LEU MD1 1 51 PHE H . . 3.640 3.132 2.689 3.581 . 0 0 "[ . 1 . 2]" 1
502 1 25 LEU MD1 1 51 PHE HB2 . . 4.430 4.094 3.379 4.430 0.000 10 0 "[ . 1 . 2]" 1
503 1 25 LEU MD1 1 51 PHE QB . . 3.560 2.940 2.414 3.227 . 0 0 "[ . 1 . 2]" 1
504 1 25 LEU MD1 1 51 PHE HB3 . . 4.430 3.032 2.450 3.451 . 0 0 "[ . 1 . 2]" 1
505 1 25 LEU MD1 1 51 PHE QD . . 4.520 3.951 3.254 4.428 . 0 0 "[ . 1 . 2]" 1
506 1 25 LEU MD1 1 54 ARG H . . 4.860 4.216 3.909 4.513 . 0 0 "[ . 1 . 2]" 1
507 1 25 LEU MD1 1 54 ARG QD . . 4.550 3.306 2.098 3.988 . 0 0 "[ . 1 . 2]" 1
508 1 25 LEU MD1 1 54 ARG QG . . 4.600 3.389 1.807 4.376 . 0 0 "[ . 1 . 2]" 1
509 1 25 LEU MD1 1 55 ILE HA . . 4.210 2.841 2.216 3.178 . 0 0 "[ . 1 . 2]" 1
510 1 25 LEU MD1 1 56 GLY H . . 3.720 2.031 1.870 2.246 . 0 0 "[ . 1 . 2]" 1
511 1 25 LEU MD1 1 56 GLY HA3 . . 4.780 2.242 1.983 2.917 . 0 0 "[ . 1 . 2]" 1
512 1 25 LEU MD1 1 58 PHE QD . . 4.530 4.444 4.226 4.532 0.002 15 0 "[ . 1 . 2]" 1
513 1 25 LEU MD1 1 58 PHE QE . . 4.900 4.731 4.250 4.902 0.002 18 0 "[ . 1 . 2]" 1
514 1 25 LEU MD2 1 26 SER H . . 4.500 4.333 4.051 4.420 . 0 0 "[ . 1 . 2]" 1
515 1 25 LEU MD2 1 27 PHE QD . . 3.860 2.080 1.981 2.366 . 0 0 "[ . 1 . 2]" 1
516 1 25 LEU MD2 1 27 PHE HZ . . 4.500 4.228 4.111 4.371 . 0 0 "[ . 1 . 2]" 1
517 1 25 LEU MD2 1 33 ILE MD . . 3.810 2.556 2.054 2.922 . 0 0 "[ . 1 . 2]" 1
518 1 25 LEU MD2 1 33 ILE HG12 . . 4.310 2.728 2.516 3.004 . 0 0 "[ . 1 . 2]" 1
519 1 25 LEU MD2 1 33 ILE MG . . 3.450 2.455 2.179 2.769 . 0 0 "[ . 1 . 2]" 1
520 1 25 LEU MD2 1 49 GLY H . . 3.990 3.622 3.163 3.949 . 0 0 "[ . 1 . 2]" 1
521 1 25 LEU MD2 1 49 GLY HA3 . . 4.560 3.884 3.383 4.354 . 0 0 "[ . 1 . 2]" 1
522 1 25 LEU MD2 1 50 GLU HA . . 4.480 3.677 3.374 3.966 . 0 0 "[ . 1 . 2]" 1
523 1 25 LEU MD2 1 51 PHE H . . 3.860 3.293 2.562 3.840 . 0 0 "[ . 1 . 2]" 1
524 1 25 LEU MD2 1 51 PHE HB2 . . 3.820 2.609 2.017 3.050 . 0 0 "[ . 1 . 2]" 1
525 1 25 LEU MD2 1 51 PHE QB . . 3.340 2.143 1.931 2.548 . 0 0 "[ . 1 . 2]" 1
526 1 25 LEU MD2 1 51 PHE HB3 . . 3.820 2.424 1.984 3.316 . 0 0 "[ . 1 . 2]" 1
527 1 25 LEU MD2 1 51 PHE QD . . 4.820 3.686 3.204 4.047 . 0 0 "[ . 1 . 2]" 1
528 1 25 LEU MD2 1 54 ARG H . . 5.500 5.308 4.875 5.502 0.002 18 0 "[ . 1 . 2]" 1
529 1 25 LEU MD2 1 54 ARG QD . . 5.500 5.155 3.828 5.502 0.002 20 0 "[ . 1 . 2]" 1
530 1 25 LEU MD2 1 55 ILE HA . . 4.570 4.116 3.560 4.366 . 0 0 "[ . 1 . 2]" 1
531 1 25 LEU MD2 1 56 GLY H . . 4.050 3.334 3.067 3.715 . 0 0 "[ . 1 . 2]" 1
532 1 25 LEU MD2 1 56 GLY HA3 . . 4.420 4.006 3.740 4.403 . 0 0 "[ . 1 . 2]" 1
533 1 25 LEU MD2 1 58 PHE QD . . 3.790 3.100 2.885 3.383 . 0 0 "[ . 1 . 2]" 1
534 1 25 LEU MD2 1 58 PHE QE . . 4.020 3.289 2.935 3.574 . 0 0 "[ . 1 . 2]" 1
535 1 25 LEU HG 1 26 SER H . . 3.630 2.782 2.432 2.882 . 0 0 "[ . 1 . 2]" 1
536 1 25 LEU HG 1 27 PHE QD . . 3.800 2.600 2.439 2.787 . 0 0 "[ . 1 . 2]" 1
537 1 25 LEU HG 1 33 ILE MD . . 5.220 4.552 4.011 4.856 . 0 0 "[ . 1 . 2]" 1
538 1 25 LEU HG 1 56 GLY H . . 5.180 4.960 4.609 5.178 . 0 0 "[ . 1 . 2]" 1
539 1 26 SER H 1 26 SER HB2 . . 3.990 3.364 2.477 3.775 . 0 0 "[ . 1 . 2]" 1
540 1 26 SER H 1 26 SER QB . . 3.240 2.767 2.441 2.990 . 0 0 "[ . 1 . 2]" 1
541 1 26 SER H 1 26 SER HB3 . . 3.990 3.239 2.838 3.808 . 0 0 "[ . 1 . 2]" 1
542 1 26 SER H 1 27 PHE H . . 4.780 4.267 4.192 4.293 . 0 0 "[ . 1 . 2]" 1
543 1 26 SER HA 1 27 PHE H . . 2.830 2.139 2.138 2.140 . 0 0 "[ . 1 . 2]" 1
544 1 26 SER QB 1 27 PHE H . . 3.490 3.409 3.394 3.430 . 0 0 "[ . 1 . 2]" 1
545 1 27 PHE H 1 27 PHE QD . . 4.150 3.014 2.952 3.068 . 0 0 "[ . 1 . 2]" 1
546 1 27 PHE HA 1 28 PRO HD2 . . 3.370 2.324 2.249 2.429 . 0 0 "[ . 1 . 2]" 1
547 1 27 PHE HA 1 28 PRO HD3 . . 3.290 2.275 2.257 2.309 . 0 0 "[ . 1 . 2]" 1
548 1 27 PHE HB2 1 28 PRO HD2 . . 3.340 2.440 2.198 2.620 . 0 0 "[ . 1 . 2]" 1
549 1 27 PHE HB2 1 28 PRO HD3 . . 4.220 3.810 3.614 3.953 . 0 0 "[ . 1 . 2]" 1
550 1 27 PHE HB2 1 31 ALA H . . 4.530 4.041 3.774 4.325 . 0 0 "[ . 1 . 2]" 1
551 1 27 PHE HB2 1 31 ALA MB . . 3.110 1.996 1.786 2.283 . 0 0 "[ . 1 . 2]" 1
552 1 27 PHE HB2 1 33 ILE MD . . 4.390 3.910 3.528 4.318 . 0 0 "[ . 1 . 2]" 1
553 1 27 PHE HB2 1 51 PHE QD . . 4.900 4.532 3.874 4.851 . 0 0 "[ . 1 . 2]" 1
554 1 27 PHE HB3 1 28 PRO HD2 . . 3.980 2.953 2.820 3.048 . 0 0 "[ . 1 . 2]" 1
555 1 27 PHE HB3 1 28 PRO HD3 . . 4.400 4.018 3.878 4.115 . 0 0 "[ . 1 . 2]" 1
556 1 27 PHE HB3 1 31 ALA MB . . 3.720 2.840 2.512 3.113 . 0 0 "[ . 1 . 2]" 1
557 1 27 PHE HB3 1 33 ILE MD . . 4.460 3.782 3.377 4.254 . 0 0 "[ . 1 . 2]" 1
558 1 27 PHE HB3 1 51 PHE QD . . 4.460 3.246 2.296 3.795 . 0 0 "[ . 1 . 2]" 1
559 1 27 PHE QD 1 31 ALA MB . . 3.990 3.419 3.157 3.613 . 0 0 "[ . 1 . 2]" 1
560 1 27 PHE QD 1 33 ILE MD . . 3.850 2.748 2.332 3.090 . 0 0 "[ . 1 . 2]" 1
561 1 27 PHE QD 1 33 ILE HG12 . . 5.370 3.350 3.077 3.723 . 0 0 "[ . 1 . 2]" 1
562 1 27 PHE QE 1 33 ILE MD . . 5.070 2.432 2.155 2.696 . 0 0 "[ . 1 . 2]" 1
563 1 27 PHE QE 1 58 PHE HB2 . . 4.340 4.039 3.778 4.317 . 0 0 "[ . 1 . 2]" 1
564 1 27 PHE QE 1 58 PHE HB3 . . 5.060 2.870 2.597 3.237 . 0 0 "[ . 1 . 2]" 1
565 1 27 PHE QE 1 58 PHE QD . . 4.290 3.597 3.137 3.940 . 0 0 "[ . 1 . 2]" 1
566 1 27 PHE QE 1 59 PRO HD2 . . 5.120 4.714 4.480 5.120 0.000 15 0 "[ . 1 . 2]" 1
567 1 27 PHE QE 1 62 LEU HB2 . . 4.390 3.410 2.989 3.677 . 0 0 "[ . 1 . 2]" 1
568 1 27 PHE QE 1 62 LEU HB3 . . 4.490 3.928 3.506 4.121 . 0 0 "[ . 1 . 2]" 1
569 1 27 PHE QE 1 62 LEU MD1 . . 4.170 3.622 3.327 3.945 . 0 0 "[ . 1 . 2]" 1
570 1 27 PHE QE 1 63 VAL MG1 . . 4.000 3.195 2.935 3.438 . 0 0 "[ . 1 . 2]" 1
571 1 27 PHE HZ 1 33 ILE MD . . 4.090 3.180 2.885 3.496 . 0 0 "[ . 1 . 2]" 1
572 1 27 PHE HZ 1 58 PHE HB2 . . 4.010 3.021 2.801 3.374 . 0 0 "[ . 1 . 2]" 1
573 1 27 PHE HZ 1 58 PHE HB3 . . 3.900 2.614 2.240 2.997 . 0 0 "[ . 1 . 2]" 1
574 1 27 PHE HZ 1 62 LEU HB2 . . 4.650 4.108 3.841 4.240 . 0 0 "[ . 1 . 2]" 1
575 1 27 PHE HZ 1 62 LEU HB3 . . 5.500 5.411 5.053 5.504 0.004 20 0 "[ . 1 . 2]" 1
576 1 27 PHE HZ 1 62 LEU MD1 . . 4.510 4.322 4.085 4.510 . 0 0 "[ . 1 . 2]" 1
577 1 27 PHE HZ 1 63 VAL MG1 . . 5.020 3.227 2.835 3.538 . 0 0 "[ . 1 . 2]" 1
578 1 28 PRO HA 1 29 GLU H . . 2.880 2.485 2.321 2.694 . 0 0 "[ . 1 . 2]" 1
579 1 28 PRO HA 1 29 GLU QB . . 4.360 4.235 4.198 4.275 . 0 0 "[ . 1 . 2]" 1
580 1 28 PRO QB 1 29 GLU H . . 3.420 2.369 1.942 2.725 . 0 0 "[ . 1 . 2]" 1
581 1 28 PRO HB2 1 29 GLU H . . 3.970 2.427 1.959 2.828 . 0 0 "[ . 1 . 2]" 1
582 1 28 PRO HB2 1 31 ALA MB . . 5.010 4.034 3.796 4.251 . 0 0 "[ . 1 . 2]" 1
583 1 28 PRO HB3 1 29 GLU H . . 3.970 3.371 3.167 3.568 . 0 0 "[ . 1 . 2]" 1
584 1 28 PRO HB3 1 31 ALA MB . . 5.010 4.635 4.463 4.808 . 0 0 "[ . 1 . 2]" 1
585 1 28 PRO HD2 1 31 ALA HA . . 4.990 4.619 4.435 4.951 . 0 0 "[ . 1 . 2]" 1
586 1 28 PRO HD2 1 31 ALA MB . . 3.270 2.209 2.080 2.391 . 0 0 "[ . 1 . 2]" 1
587 1 28 PRO HD2 1 51 PHE QE . . 4.090 2.967 2.004 3.509 . 0 0 "[ . 1 . 2]" 1
588 1 28 PRO HD2 1 51 PHE HZ . . 4.160 2.821 2.017 3.446 . 0 0 "[ . 1 . 2]" 1
589 1 28 PRO HD3 1 31 ALA MB . . 3.790 3.623 3.458 3.789 . 0 0 "[ . 1 . 2]" 1
590 1 28 PRO HD3 1 51 PHE QE . . 4.030 3.226 2.330 4.022 . 0 0 "[ . 1 . 2]" 1
591 1 28 PRO HD3 1 51 PHE HZ . . 4.310 3.478 2.629 4.284 . 0 0 "[ . 1 . 2]" 1
592 1 28 PRO HG2 1 31 ALA H . . 4.520 4.400 4.087 4.498 . 0 0 "[ . 1 . 2]" 1
593 1 28 PRO HG2 1 31 ALA HA . . 4.750 3.918 3.783 4.199 . 0 0 "[ . 1 . 2]" 1
594 1 28 PRO HG2 1 31 ALA MB . . 3.400 2.310 1.978 2.622 . 0 0 "[ . 1 . 2]" 1
595 1 28 PRO HG2 1 51 PHE HZ . . 5.310 3.765 3.203 4.329 . 0 0 "[ . 1 . 2]" 1
596 1 28 PRO HG3 1 31 ALA MB . . 4.200 3.530 3.294 3.767 . 0 0 "[ . 1 . 2]" 1
597 1 28 PRO HG3 1 51 PHE HZ . . 4.740 3.594 3.120 4.054 . 0 0 "[ . 1 . 2]" 1
598 1 29 GLU H 1 29 GLU QB . . 2.890 2.257 2.232 2.312 . 0 0 "[ . 1 . 2]" 1
599 1 29 GLU H 1 29 GLU HG2 . . 4.620 4.407 4.304 4.518 . 0 0 "[ . 1 . 2]" 1
600 1 29 GLU H 1 29 GLU HG3 . . 4.620 4.509 4.429 4.604 . 0 0 "[ . 1 . 2]" 1
601 1 29 GLU H 1 30 GLY H . . 4.510 4.290 4.218 4.414 . 0 0 "[ . 1 . 2]" 1
602 1 29 GLU HA 1 29 GLU HG2 . . 3.960 3.148 2.876 3.382 . 0 0 "[ . 1 . 2]" 1
603 1 29 GLU HA 1 29 GLU QG . . 3.460 2.488 2.318 2.595 . 0 0 "[ . 1 . 2]" 1
604 1 29 GLU HA 1 29 GLU HG3 . . 3.960 2.625 2.369 2.810 . 0 0 "[ . 1 . 2]" 1
605 1 29 GLU HA 1 30 GLY H . . 2.730 2.183 2.150 2.204 . 0 0 "[ . 1 . 2]" 1
606 1 29 GLU HA 1 30 GLY QA . . 4.700 3.890 3.888 3.897 . 0 0 "[ . 1 . 2]" 1
607 1 29 GLU HA 1 31 ALA H . . 4.250 4.172 3.825 4.241 . 0 0 "[ . 1 . 2]" 1
608 1 29 GLU HA 1 31 ALA MB . . 5.080 4.739 4.512 4.842 . 0 0 "[ . 1 . 2]" 1
609 1 29 GLU QB 1 30 GLY H . . 4.310 3.964 3.903 3.992 . 0 0 "[ . 1 . 2]" 1
610 1 29 GLU QG 1 30 GLY H . . 3.440 3.351 3.106 3.439 . 0 0 "[ . 1 . 2]" 1
611 1 29 GLU HG2 1 30 GLY H . . 4.150 3.779 3.261 4.144 . 0 0 "[ . 1 . 2]" 1
612 1 29 GLU HG3 1 30 GLY H . . 4.150 3.814 3.537 4.112 . 0 0 "[ . 1 . 2]" 1
613 1 30 GLY H 1 31 ALA H . . 3.380 2.258 2.140 2.371 . 0 0 "[ . 1 . 2]" 1
614 1 30 GLY H 1 31 ALA MB . . 4.730 3.749 3.666 3.885 . 0 0 "[ . 1 . 2]" 1
615 1 31 ALA H 1 31 ALA MB . . 2.860 2.338 2.210 2.445 . 0 0 "[ . 1 . 2]" 1
616 1 31 ALA H 1 32 ILE H . . 4.520 4.441 4.185 4.531 0.011 11 0 "[ . 1 . 2]" 1
617 1 31 ALA HA 1 32 ILE H . . 2.690 2.207 2.143 2.379 . 0 0 "[ . 1 . 2]" 1
618 1 31 ALA HA 1 32 ILE HB . . 4.870 4.657 4.447 4.764 . 0 0 "[ . 1 . 2]" 1
619 1 31 ALA HA 1 32 ILE QG . . 5.180 3.885 3.396 4.998 . 0 0 "[ . 1 . 2]" 1
620 1 31 ALA HA 1 51 PHE QE . . 4.470 3.825 3.275 4.380 . 0 0 "[ . 1 . 2]" 1
621 1 31 ALA MB 1 32 ILE H . . 3.490 2.986 2.569 3.406 . 0 0 "[ . 1 . 2]" 1
622 1 31 ALA MB 1 33 ILE HG12 . . 4.320 4.134 3.771 4.307 . 0 0 "[ . 1 . 2]" 1
623 1 31 ALA MB 1 51 PHE QB . . 5.340 4.430 4.150 4.648 . 0 0 "[ . 1 . 2]" 1
624 1 31 ALA MB 1 51 PHE QD . . 4.640 3.486 2.946 3.832 . 0 0 "[ . 1 . 2]" 1
625 1 31 ALA MB 1 51 PHE QE . . 3.590 2.473 1.991 3.011 . 0 0 "[ . 1 . 2]" 1
626 1 31 ALA MB 1 51 PHE HZ . . 3.950 2.798 1.997 3.693 . 0 0 "[ . 1 . 2]" 1
627 1 32 ILE H 1 32 ILE HB . . 3.040 2.503 2.332 2.602 . 0 0 "[ . 1 . 2]" 1
628 1 32 ILE H 1 32 ILE MD . . 3.860 3.003 1.844 3.571 . 0 0 "[ . 1 . 2]" 1
629 1 32 ILE H 1 32 ILE HG12 . . 4.010 2.699 2.056 4.009 . 0 0 "[ . 1 . 2]" 1
630 1 32 ILE H 1 32 ILE QG . . 3.350 2.554 2.041 3.351 0.001 15 0 "[ . 1 . 2]" 1
631 1 32 ILE H 1 32 ILE HG13 . . 4.010 3.758 3.439 3.989 . 0 0 "[ . 1 . 2]" 1
632 1 32 ILE H 1 32 ILE MG . . 4.060 3.776 3.703 3.825 . 0 0 "[ . 1 . 2]" 1
633 1 32 ILE H 1 33 ILE H . . 4.630 4.537 4.417 4.624 . 0 0 "[ . 1 . 2]" 1
634 1 32 ILE H 1 51 PHE QD . . 4.850 4.360 3.626 4.849 . 0 0 "[ . 1 . 2]" 1
635 1 32 ILE H 1 51 PHE QE . . 4.050 3.491 2.351 4.003 . 0 0 "[ . 1 . 2]" 1
636 1 32 ILE HA 1 32 ILE MD . . 3.430 2.185 1.907 3.054 . 0 0 "[ . 1 . 2]" 1
637 1 32 ILE HA 1 32 ILE QG . . 3.640 2.834 2.206 3.090 . 0 0 "[ . 1 . 2]" 1
638 1 32 ILE HA 1 32 ILE MG . . 3.410 2.412 2.238 2.523 . 0 0 "[ . 1 . 2]" 1
639 1 32 ILE HA 1 33 ILE H . . 2.820 2.189 2.140 2.274 . 0 0 "[ . 1 . 2]" 1
640 1 32 ILE HB 1 32 ILE MD . . 3.520 3.025 2.158 3.229 . 0 0 "[ . 1 . 2]" 1
641 1 32 ILE HB 1 33 ILE H . . 4.600 4.071 3.845 4.388 . 0 0 "[ . 1 . 2]" 1
642 1 32 ILE MD 1 33 ILE H . . 4.840 3.759 3.341 4.733 . 0 0 "[ . 1 . 2]" 1
643 1 32 ILE HG12 1 32 ILE MG . . 3.420 2.988 2.146 3.202 . 0 0 "[ . 1 . 2]" 1
644 1 32 ILE HG13 1 32 ILE MG . . 3.420 2.393 2.183 2.596 . 0 0 "[ . 1 . 2]" 1
645 1 32 ILE MG 1 33 ILE H . . 3.450 2.342 1.967 2.708 . 0 0 "[ . 1 . 2]" 1
646 1 32 ILE MG 1 34 ARG HA . . 4.310 4.216 4.102 4.301 . 0 0 "[ . 1 . 2]" 1
647 1 33 ILE H 1 33 ILE HB . . 3.240 2.705 2.591 2.839 . 0 0 "[ . 1 . 2]" 1
648 1 33 ILE H 1 33 ILE MD . . 4.160 3.703 3.389 3.993 . 0 0 "[ . 1 . 2]" 1
649 1 33 ILE H 1 33 ILE HG12 . . 4.350 4.161 3.911 4.337 . 0 0 "[ . 1 . 2]" 1
650 1 33 ILE H 1 33 ILE HG13 . . 3.750 2.819 2.465 3.018 . 0 0 "[ . 1 . 2]" 1
651 1 33 ILE H 1 33 ILE MG . . 4.430 3.876 3.830 3.933 . 0 0 "[ . 1 . 2]" 1
652 1 33 ILE HA 1 33 ILE MD . . 4.440 3.898 3.880 3.926 . 0 0 "[ . 1 . 2]" 1
653 1 33 ILE HA 1 33 ILE HG12 . . 3.740 2.790 2.657 2.877 . 0 0 "[ . 1 . 2]" 1
654 1 33 ILE HA 1 33 ILE HG13 . . 3.720 2.790 2.709 2.925 . 0 0 "[ . 1 . 2]" 1
655 1 33 ILE HA 1 33 ILE MG . . 3.250 2.333 2.272 2.405 . 0 0 "[ . 1 . 2]" 1
656 1 33 ILE HA 1 34 ARG H . . 2.830 2.215 2.162 2.298 . 0 0 "[ . 1 . 2]" 1
657 1 33 ILE HA 1 51 PHE QB . . 4.030 3.276 2.472 4.018 . 0 0 "[ . 1 . 2]" 1
658 1 33 ILE HA 1 51 PHE QD . . 4.560 3.410 2.520 3.979 . 0 0 "[ . 1 . 2]" 1
659 1 33 ILE HB 1 33 ILE MD . . 3.220 2.215 2.110 2.313 . 0 0 "[ . 1 . 2]" 1
660 1 33 ILE HB 1 34 ARG H . . 4.840 3.951 3.700 4.133 . 0 0 "[ . 1 . 2]" 1
661 1 33 ILE HB 1 58 PHE HZ . . 5.320 4.404 3.835 4.850 . 0 0 "[ . 1 . 2]" 1
662 1 33 ILE MD 1 33 ILE MG . . 3.090 2.338 2.172 2.489 . 0 0 "[ . 1 . 2]" 1
663 1 33 ILE MD 1 51 PHE QB . . 4.400 3.809 3.223 4.202 . 0 0 "[ . 1 . 2]" 1
664 1 33 ILE MD 1 58 PHE QD . . 4.750 3.740 3.422 4.032 . 0 0 "[ . 1 . 2]" 1
665 1 33 ILE MD 1 58 PHE QE . . 4.280 3.702 3.350 3.993 . 0 0 "[ . 1 . 2]" 1
666 1 33 ILE MD 1 58 PHE HZ . . 5.250 4.233 3.778 4.580 . 0 0 "[ . 1 . 2]" 1
667 1 33 ILE MD 1 63 VAL HB . . 4.950 3.855 3.504 4.395 . 0 0 "[ . 1 . 2]" 1
668 1 33 ILE MD 1 63 VAL MG1 . . 3.240 2.303 1.939 2.722 . 0 0 "[ . 1 . 2]" 1
669 1 33 ILE HG12 1 33 ILE MG . . 3.520 2.171 2.050 2.308 . 0 0 "[ . 1 . 2]" 1
670 1 33 ILE HG12 1 34 ARG H . . 5.120 4.388 4.284 4.519 . 0 0 "[ . 1 . 2]" 1
671 1 33 ILE HG12 1 51 PHE QB . . 3.520 2.502 1.990 2.988 . 0 0 "[ . 1 . 2]" 1
672 1 33 ILE HG12 1 51 PHE QD . . 4.930 3.613 2.755 4.339 . 0 0 "[ . 1 . 2]" 1
673 1 33 ILE HG13 1 34 ARG H . . 5.500 4.804 4.714 4.943 . 0 0 "[ . 1 . 2]" 1
674 1 33 ILE HG13 1 51 PHE QB . . 4.240 3.757 3.363 4.238 . 0 0 "[ . 1 . 2]" 1
675 1 33 ILE HG13 1 51 PHE QD . . 4.990 3.897 3.199 4.655 . 0 0 "[ . 1 . 2]" 1
676 1 33 ILE MG 1 34 ARG H . . 3.360 2.102 1.889 2.265 . 0 0 "[ . 1 . 2]" 1
677 1 33 ILE MG 1 49 GLY H . . 4.960 3.922 3.566 4.251 . 0 0 "[ . 1 . 2]" 1
678 1 33 ILE MG 1 49 GLY HA2 . . 3.880 3.572 3.195 3.833 . 0 0 "[ . 1 . 2]" 1
679 1 33 ILE MG 1 49 GLY HA3 . . 3.340 2.322 2.080 2.588 . 0 0 "[ . 1 . 2]" 1
680 1 33 ILE MG 1 50 GLU H . . 3.420 3.199 2.902 3.422 0.002 13 0 "[ . 1 . 2]" 1
681 1 33 ILE MG 1 51 PHE QB . . 3.670 2.925 1.967 3.506 . 0 0 "[ . 1 . 2]" 1
682 1 33 ILE MG 1 58 PHE QE . . 3.500 3.098 2.680 3.502 0.002 15 0 "[ . 1 . 2]" 1
683 1 33 ILE MG 1 58 PHE HZ . . 3.820 2.936 2.455 3.528 . 0 0 "[ . 1 . 2]" 1
684 1 34 ARG H 1 34 ARG HB2 . . 3.390 2.793 2.559 2.961 . 0 0 "[ . 1 . 2]" 1
685 1 34 ARG H 1 34 ARG HB3 . . 3.270 2.480 2.399 2.605 . 0 0 "[ . 1 . 2]" 1
686 1 34 ARG H 1 34 ARG HG2 . . 5.020 4.399 4.304 4.555 . 0 0 "[ . 1 . 2]" 1
687 1 34 ARG H 1 34 ARG QG . . 4.210 3.990 3.946 4.018 . 0 0 "[ . 1 . 2]" 1
688 1 34 ARG H 1 34 ARG HG3 . . 5.020 4.575 4.469 4.658 . 0 0 "[ . 1 . 2]" 1
689 1 34 ARG H 1 50 GLU H . . 3.620 3.332 2.966 3.615 . 0 0 "[ . 1 . 2]" 1
690 1 34 ARG H 1 50 GLU HB3 . . 4.690 4.424 4.109 4.634 . 0 0 "[ . 1 . 2]" 1
691 1 34 ARG HA 1 34 ARG HG2 . . 4.100 3.150 2.910 3.510 . 0 0 "[ . 1 . 2]" 1
692 1 34 ARG HA 1 34 ARG QG . . 3.440 2.472 2.285 2.551 . 0 0 "[ . 1 . 2]" 1
693 1 34 ARG HA 1 34 ARG HG3 . . 4.100 2.601 2.329 2.760 . 0 0 "[ . 1 . 2]" 1
694 1 34 ARG HA 1 35 ILE H . . 2.910 2.177 2.140 2.240 . 0 0 "[ . 1 . 2]" 1
695 1 34 ARG HA 1 50 GLU H . . 5.500 4.986 4.836 5.247 . 0 0 "[ . 1 . 2]" 1
696 1 34 ARG HB2 1 34 ARG HD2 . . 3.870 3.044 2.323 3.757 . 0 0 "[ . 1 . 2]" 1
697 1 34 ARG HB2 1 34 ARG HD3 . . 3.870 3.030 2.230 3.841 . 0 0 "[ . 1 . 2]" 1
698 1 34 ARG HB2 1 34 ARG HE . . 4.840 3.510 2.148 4.545 . 0 0 "[ . 1 . 2]" 1
699 1 34 ARG HB2 1 50 GLU H . . 4.950 4.550 4.030 4.949 . 0 0 "[ . 1 . 2]" 1
700 1 34 ARG HB3 1 34 ARG HD2 . . 4.070 3.085 2.282 3.900 . 0 0 "[ . 1 . 2]" 1
701 1 34 ARG HB3 1 34 ARG HD3 . . 4.070 3.031 2.329 3.635 . 0 0 "[ . 1 . 2]" 1
702 1 34 ARG HB3 1 34 ARG HE . . 4.600 3.496 2.183 4.497 . 0 0 "[ . 1 . 2]" 1
703 1 34 ARG HB3 1 50 GLU H . . 3.810 2.900 2.420 3.274 . 0 0 "[ . 1 . 2]" 1
704 1 34 ARG HB3 1 50 GLU HB3 . . 3.510 3.208 2.879 3.491 . 0 0 "[ . 1 . 2]" 1
705 1 34 ARG QD 1 36 LEU QD . . 3.700 2.986 1.979 3.684 . 0 0 "[ . 1 . 2]" 1
706 1 34 ARG QD 1 50 GLU HB3 . . 4.670 3.946 3.025 4.653 . 0 0 "[ . 1 . 2]" 1
707 1 34 ARG QG 1 35 ILE H . . 3.610 3.323 3.027 3.575 . 0 0 "[ . 1 . 2]" 1
708 1 34 ARG HG2 1 35 ILE H . . 4.250 3.760 3.286 4.238 . 0 0 "[ . 1 . 2]" 1
709 1 34 ARG HG3 1 35 ILE H . . 4.250 3.772 3.225 4.185 . 0 0 "[ . 1 . 2]" 1
710 1 35 ILE H 1 35 ILE HB . . 3.140 2.540 2.468 2.598 . 0 0 "[ . 1 . 2]" 1
711 1 35 ILE H 1 35 ILE MD . . 4.160 3.195 2.752 3.508 . 0 0 "[ . 1 . 2]" 1
712 1 35 ILE H 1 35 ILE QG . . 3.240 2.111 1.955 2.312 . 0 0 "[ . 1 . 2]" 1
713 1 35 ILE H 1 35 ILE MG . . 4.110 3.763 3.753 3.772 . 0 0 "[ . 1 . 2]" 1
714 1 35 ILE H 1 36 LEU H . . 5.180 4.334 4.142 4.563 . 0 0 "[ . 1 . 2]" 1
715 1 35 ILE HA 1 35 ILE MD . . 3.080 2.044 1.923 2.191 . 0 0 "[ . 1 . 2]" 1
716 1 35 ILE HA 1 35 ILE MG . . 3.330 2.388 2.261 2.468 . 0 0 "[ . 1 . 2]" 1
717 1 35 ILE HA 1 36 LEU H . . 2.890 2.185 2.142 2.262 . 0 0 "[ . 1 . 2]" 1
718 1 35 ILE HA 1 37 ASN H . . 4.080 3.944 3.676 4.074 . 0 0 "[ . 1 . 2]" 1
719 1 35 ILE HA 1 49 GLY HA2 . . 3.770 3.356 3.042 3.679 . 0 0 "[ . 1 . 2]" 1
720 1 35 ILE HA 1 49 GLY HA3 . . 4.070 3.164 2.666 3.683 . 0 0 "[ . 1 . 2]" 1
721 1 35 ILE HA 1 50 GLU H . . 5.500 4.742 4.164 5.213 . 0 0 "[ . 1 . 2]" 1
722 1 35 ILE MD 1 35 ILE MG . . 2.930 1.996 1.898 2.184 . 0 0 "[ . 1 . 2]" 1
723 1 35 ILE MD 1 36 LEU H . . 3.960 3.717 3.508 3.914 . 0 0 "[ . 1 . 2]" 1
724 1 35 ILE MD 1 37 ASN H . . 4.920 4.588 4.330 4.870 . 0 0 "[ . 1 . 2]" 1
725 1 35 ILE MD 1 47 TRP HB2 . . 4.020 3.324 3.089 3.754 . 0 0 "[ . 1 . 2]" 1
726 1 35 ILE MD 1 47 TRP QB . . 3.480 2.696 2.455 2.959 . 0 0 "[ . 1 . 2]" 1
727 1 35 ILE MD 1 47 TRP HB3 . . 4.020 2.872 2.512 3.325 . 0 0 "[ . 1 . 2]" 1
728 1 35 ILE MD 1 47 TRP HE3 . . 3.270 2.232 1.958 2.570 . 0 0 "[ . 1 . 2]" 1
729 1 35 ILE MD 1 48 GLU H . . 4.830 4.358 3.884 4.830 . 17 0 "[ . 1 . 2]" 1
730 1 35 ILE MD 1 49 GLY HA2 . . 4.720 4.405 4.045 4.684 . 0 0 "[ . 1 . 2]" 1
731 1 35 ILE MD 1 49 GLY HA3 . . 4.300 3.595 3.084 3.974 . 0 0 "[ . 1 . 2]" 1
732 1 35 ILE MD 1 58 PHE QE . . 3.510 2.393 1.945 2.832 . 0 0 "[ . 1 . 2]" 1
733 1 35 ILE MD 1 58 PHE HZ . . 3.030 2.045 1.870 2.398 . 0 0 "[ . 1 . 2]" 1
734 1 35 ILE QG 1 35 ILE MG . . 3.220 2.287 2.199 2.404 . 0 0 "[ . 1 . 2]" 1
735 1 35 ILE QG 1 47 TRP HE3 . . 4.300 3.843 3.484 4.204 . 0 0 "[ . 1 . 2]" 1
736 1 35 ILE QG 1 47 TRP HZ3 . . 4.890 4.136 3.769 4.532 . 0 0 "[ . 1 . 2]" 1
737 1 35 ILE QG 1 58 PHE QE . . 5.340 4.283 3.853 4.689 . 0 0 "[ . 1 . 2]" 1
738 1 35 ILE QG 1 58 PHE HZ . . 5.340 4.120 3.949 4.444 . 0 0 "[ . 1 . 2]" 1
739 1 35 ILE HG12 1 35 ILE MG . . 3.670 3.189 3.161 3.200 . 0 0 "[ . 1 . 2]" 1
740 1 35 ILE HG12 1 47 TRP HE3 . . 5.160 4.910 4.766 5.116 . 0 0 "[ . 1 . 2]" 1
741 1 35 ILE HG13 1 35 ILE MG . . 3.670 2.344 2.243 2.486 . 0 0 "[ . 1 . 2]" 1
742 1 35 ILE HG13 1 47 TRP HE3 . . 5.160 4.021 3.576 4.471 . 0 0 "[ . 1 . 2]" 1
743 1 35 ILE MG 1 36 LEU H . . 3.480 3.002 2.345 3.420 . 0 0 "[ . 1 . 2]" 1
744 1 35 ILE MG 1 36 LEU HA . . 4.570 4.026 3.703 4.296 . 0 0 "[ . 1 . 2]" 1
745 1 35 ILE MG 1 37 ASN H . . 3.380 3.085 2.822 3.348 . 0 0 "[ . 1 . 2]" 1
746 1 35 ILE MG 1 38 LYS H . . 4.780 3.706 3.215 4.221 . 0 0 "[ . 1 . 2]" 1
747 1 35 ILE MG 1 38 LYS HA . . 4.490 3.678 3.057 4.317 . 0 0 "[ . 1 . 2]" 1
748 1 35 ILE MG 1 38 LYS HB2 . . 4.380 3.609 3.247 3.970 . 0 0 "[ . 1 . 2]" 1
749 1 35 ILE MG 1 38 LYS HB3 . . 4.380 3.082 1.934 4.378 . 0 0 "[ . 1 . 2]" 1
750 1 35 ILE MG 1 38 LYS QD . . 4.280 2.934 1.980 4.022 . 0 0 "[ . 1 . 2]" 1
751 1 35 ILE MG 1 38 LYS HE2 . . 4.590 3.782 2.646 4.539 . 0 0 "[ . 1 . 2]" 1
752 1 35 ILE MG 1 38 LYS QE . . 3.750 3.153 1.928 3.716 . 0 0 "[ . 1 . 2]" 1
753 1 35 ILE MG 1 38 LYS HE3 . . 4.590 3.552 1.981 4.371 . 0 0 "[ . 1 . 2]" 1
754 1 35 ILE MG 1 38 LYS QG . . 3.720 2.231 1.774 3.140 . 0 0 "[ . 1 . 2]" 1
755 1 35 ILE MG 1 47 TRP QB . . 3.940 3.110 2.701 3.539 . 0 0 "[ . 1 . 2]" 1
756 1 35 ILE MG 1 47 TRP HE3 . . 4.340 3.772 3.071 4.257 . 0 0 "[ . 1 . 2]" 1
757 1 35 ILE MG 1 48 GLU H . . 4.440 4.052 3.591 4.394 . 0 0 "[ . 1 . 2]" 1
758 1 36 LEU H 1 36 LEU HB2 . . 4.060 2.428 2.260 2.541 . 0 0 "[ . 1 . 2]" 1
759 1 36 LEU H 1 36 LEU QB . . 3.280 2.392 2.236 2.492 . 0 0 "[ . 1 . 2]" 1
760 1 36 LEU H 1 36 LEU HB3 . . 4.060 3.611 3.543 3.705 . 0 0 "[ . 1 . 2]" 1
761 1 36 LEU H 1 36 LEU QD . . 4.640 3.244 3.059 3.449 . 0 0 "[ . 1 . 2]" 1
762 1 36 LEU H 1 36 LEU HG . . 4.100 2.591 2.194 2.948 . 0 0 "[ . 1 . 2]" 1
763 1 36 LEU H 1 37 ASN H . . 2.990 2.464 2.127 2.703 . 0 0 "[ . 1 . 2]" 1
764 1 36 LEU H 1 48 GLU H . . 4.930 4.507 3.746 4.908 . 0 0 "[ . 1 . 2]" 1
765 1 36 LEU H 1 49 GLY H . . 5.050 4.523 4.226 4.784 . 0 0 "[ . 1 . 2]" 1
766 1 36 LEU H 1 49 GLY HA2 . . 3.410 2.304 1.929 3.097 . 0 0 "[ . 1 . 2]" 1
767 1 36 LEU H 1 49 GLY HA3 . . 3.980 3.271 2.860 3.892 . 0 0 "[ . 1 . 2]" 1
768 1 36 LEU HA 1 36 LEU MD1 . . 4.440 3.898 3.842 3.935 . 0 0 "[ . 1 . 2]" 1
769 1 36 LEU HA 1 36 LEU QD . . 3.220 2.189 1.988 2.429 . 0 0 "[ . 1 . 2]" 1
770 1 36 LEU HA 1 36 LEU MD2 . . 4.440 2.202 1.994 2.453 . 0 0 "[ . 1 . 2]" 1
771 1 36 LEU HA 1 36 LEU HG . . 3.890 2.945 2.665 3.108 . 0 0 "[ . 1 . 2]" 1
772 1 36 LEU QB 1 36 LEU QD . . 2.740 1.888 1.803 1.938 . 0 0 "[ . 1 . 2]" 1
773 1 36 LEU QB 1 37 ASN H . . 3.350 2.390 2.188 2.512 . 0 0 "[ . 1 . 2]" 1
774 1 36 LEU QB 1 37 ASN QB . . 4.300 3.489 3.148 3.854 . 0 0 "[ . 1 . 2]" 1
775 1 36 LEU QB 1 37 ASN QD . . 4.720 3.339 2.094 4.722 0.002 16 0 "[ . 1 . 2]" 1
776 1 36 LEU QB 1 48 GLU HB3 . . 4.080 3.136 2.720 3.534 . 0 0 "[ . 1 . 2]" 1
777 1 36 LEU QB 1 48 GLU HG2 . . 3.990 3.404 2.700 3.887 . 0 0 "[ . 1 . 2]" 1
778 1 36 LEU HB2 1 37 ASN H . . 3.910 2.440 2.215 2.559 . 0 0 "[ . 1 . 2]" 1
779 1 36 LEU HB2 1 37 ASN QB . . 4.960 3.781 3.469 4.164 . 0 0 "[ . 1 . 2]" 1
780 1 36 LEU HB2 1 48 GLU HB3 . . 4.750 3.205 2.760 3.667 . 0 0 "[ . 1 . 2]" 1
781 1 36 LEU HB2 1 49 GLY HA2 . . 4.620 2.895 2.484 3.309 . 0 0 "[ . 1 . 2]" 1
782 1 36 LEU HB3 1 37 ASN H . . 3.910 3.443 3.264 3.659 . 0 0 "[ . 1 . 2]" 1
783 1 36 LEU HB3 1 37 ASN QB . . 4.960 4.151 3.404 4.681 . 0 0 "[ . 1 . 2]" 1
784 1 36 LEU HB3 1 48 GLU HB3 . . 4.750 4.476 4.106 4.750 0.000 20 0 "[ . 1 . 2]" 1
785 1 36 LEU HB3 1 49 GLY HA2 . . 4.620 4.328 4.030 4.621 0.001 10 0 "[ . 1 . 2]" 1
786 1 36 LEU QD 1 48 GLU HG2 . . 4.420 2.897 2.045 3.538 . 0 0 "[ . 1 . 2]" 1
787 1 36 LEU QD 1 49 GLY HA2 . . 4.080 2.473 2.183 2.828 . 0 0 "[ . 1 . 2]" 1
788 1 36 LEU QD 1 49 GLY HA3 . . 4.390 3.763 3.531 4.096 . 0 0 "[ . 1 . 2]" 1
789 1 36 LEU QD 1 50 GLU H . . 3.860 2.583 2.191 2.875 . 0 0 "[ . 1 . 2]" 1
790 1 36 LEU QD 1 50 GLU HB2 . . 3.200 2.095 1.794 2.576 . 0 0 "[ . 1 . 2]" 1
791 1 36 LEU QD 1 50 GLU HB3 . . 3.360 2.927 2.547 3.322 . 0 0 "[ . 1 . 2]" 1
792 1 36 LEU QD 1 50 GLU HG3 . . 4.730 3.896 3.426 4.410 . 0 0 "[ . 1 . 2]" 1
793 1 36 LEU MD1 1 50 GLU H . . 5.050 2.651 2.198 2.939 . 0 0 "[ . 1 . 2]" 1
794 1 36 LEU MD1 1 50 GLU HB2 . . 3.980 2.116 1.813 2.619 . 0 0 "[ . 1 . 2]" 1
795 1 36 LEU MD1 1 50 GLU HB3 . . 4.150 3.126 2.742 3.510 . 0 0 "[ . 1 . 2]" 1
796 1 36 LEU MD2 1 50 GLU H . . 5.050 3.680 3.228 4.213 . 0 0 "[ . 1 . 2]" 1
797 1 36 LEU MD2 1 50 GLU HB2 . . 3.980 3.486 2.502 3.877 . 0 0 "[ . 1 . 2]" 1
798 1 36 LEU MD2 1 50 GLU HB3 . . 4.150 3.600 2.863 4.141 . 0 0 "[ . 1 . 2]" 1
799 1 36 LEU HG 1 49 GLY HA2 . . 3.960 2.301 2.001 3.094 . 0 0 "[ . 1 . 2]" 1
800 1 36 LEU HG 1 49 GLY HA3 . . 4.700 3.833 3.488 4.523 . 0 0 "[ . 1 . 2]" 1
801 1 36 LEU HG 1 50 GLU H . . 4.410 2.668 2.251 3.088 . 0 0 "[ . 1 . 2]" 1
802 1 36 LEU HG 1 50 GLU HB2 . . 4.350 3.837 2.953 4.351 0.001 19 0 "[ . 1 . 2]" 1
803 1 36 LEU HG 1 50 GLU HB3 . . 5.000 4.047 3.455 4.691 . 0 0 "[ . 1 . 2]" 1
804 1 37 ASN H 1 37 ASN QB . . 3.490 2.670 2.470 2.942 . 0 0 "[ . 1 . 2]" 1
805 1 37 ASN H 1 38 LYS H . . 4.840 4.206 4.038 4.459 . 0 0 "[ . 1 . 2]" 1
806 1 37 ASN H 1 48 GLU H . . 3.820 3.221 2.909 3.497 . 0 0 "[ . 1 . 2]" 1
807 1 37 ASN H 1 48 GLU HB2 . . 4.710 4.444 4.008 4.662 . 0 0 "[ . 1 . 2]" 1
808 1 37 ASN H 1 48 GLU HB3 . . 3.600 2.947 2.457 3.388 . 0 0 "[ . 1 . 2]" 1
809 1 37 ASN HA 1 37 ASN QD . . 4.390 3.708 3.194 4.012 . 0 0 "[ . 1 . 2]" 1
810 1 37 ASN HA 1 37 ASN HD22 . . 5.100 4.390 3.942 4.792 . 0 0 "[ . 1 . 2]" 1
811 1 37 ASN HA 1 38 LYS H . . 3.210 2.166 2.139 2.248 . 0 0 "[ . 1 . 2]" 1
812 1 37 ASN HA 1 39 GLU H . . 4.380 3.820 3.439 4.311 . 0 0 "[ . 1 . 2]" 1
813 1 37 ASN QB 1 38 LYS H . . 4.390 3.317 2.823 3.808 . 0 0 "[ . 1 . 2]" 1
814 1 37 ASN QB 1 39 GLU H . . 4.460 3.380 2.681 4.396 . 0 0 "[ . 1 . 2]" 1
815 1 37 ASN QB 1 48 GLU H . . 4.050 3.532 2.823 4.053 0.003 18 0 "[ . 1 . 2]" 1
816 1 37 ASN QB 1 48 GLU HB2 . . 3.890 3.445 3.007 3.814 . 0 0 "[ . 1 . 2]" 1
817 1 37 ASN QB 1 48 GLU HB3 . . 3.470 2.533 2.114 2.801 . 0 0 "[ . 1 . 2]" 1
818 1 37 ASN QB 1 48 GLU HG3 . . 5.460 5.157 4.735 5.388 . 0 0 "[ . 1 . 2]" 1
819 1 37 ASN QD 1 48 GLU HB3 . . 4.970 3.553 1.899 4.883 . 0 0 "[ . 1 . 2]" 1
820 1 38 LYS H 1 38 LYS QB . . 3.650 2.732 2.242 3.157 . 0 0 "[ . 1 . 2]" 1
821 1 38 LYS H 1 38 LYS HG2 . . 4.270 3.221 2.047 4.270 0.000 18 0 "[ . 1 . 2]" 1
822 1 38 LYS H 1 38 LYS HG3 . . 4.270 3.013 1.899 4.061 . 0 0 "[ . 1 . 2]" 1
823 1 38 LYS H 1 39 GLU H . . 3.610 2.418 1.819 3.182 . 0 0 "[ . 1 . 2]" 1
824 1 38 LYS HA 1 38 LYS HG2 . . 4.120 3.186 2.164 4.159 0.039 19 0 "[ . 1 . 2]" 1
825 1 38 LYS HA 1 38 LYS QG . . 3.590 2.849 2.128 3.362 . 0 0 "[ . 1 . 2]" 1
826 1 38 LYS HA 1 38 LYS HG3 . . 4.120 3.457 2.907 3.778 . 0 0 "[ . 1 . 2]" 1
827 1 38 LYS HA 1 40 ASN H . . 5.280 4.391 3.232 4.935 . 0 0 "[ . 1 . 2]" 1
828 1 38 LYS HA 1 47 TRP HA . . 4.160 3.346 2.645 4.159 . 0 0 "[ . 1 . 2]" 1
829 1 38 LYS HA 1 47 TRP QB . . 4.580 3.383 2.561 4.287 . 0 0 "[ . 1 . 2]" 1
830 1 38 LYS HA 1 47 TRP HD1 . . 3.870 2.715 2.161 3.151 . 0 0 "[ . 1 . 2]" 1
831 1 38 LYS HA 1 47 TRP HE1 . . 4.600 3.705 2.955 4.595 . 0 0 "[ . 1 . 2]" 1
832 1 38 LYS HA 1 48 GLU H . . 4.500 3.829 3.200 4.486 . 0 0 "[ . 1 . 2]" 1
833 1 38 LYS QB 1 38 LYS QE . . 4.300 2.538 1.918 3.668 . 0 0 "[ . 1 . 2]" 1
834 1 38 LYS QB 1 47 TRP HD1 . . 5.340 3.844 2.958 4.739 . 0 0 "[ . 1 . 2]" 1
835 1 38 LYS QB 1 47 TRP HE1 . . 4.120 3.283 2.189 4.072 . 0 0 "[ . 1 . 2]" 1
836 1 38 LYS HB2 1 39 GLU H . . 4.640 4.056 2.639 4.507 . 0 0 "[ . 1 . 2]" 1
837 1 38 LYS HB3 1 39 GLU H . . 4.640 4.272 3.292 4.616 . 0 0 "[ . 1 . 2]" 1
838 1 38 LYS QD 1 47 TRP HE1 . . 5.190 4.296 3.101 5.021 . 0 0 "[ . 1 . 2]" 1
839 1 38 LYS QD 1 47 TRP HH2 . . 5.500 4.499 3.340 5.347 . 0 0 "[ . 1 . 2]" 1
840 1 38 LYS QD 1 47 TRP HZ2 . . 4.560 3.931 2.658 4.561 0.001 19 0 "[ . 1 . 2]" 1
841 1 38 LYS QE 1 38 LYS QG . . 3.250 2.322 2.066 2.600 . 0 0 "[ . 1 . 2]" 1
842 1 38 LYS QE 1 47 TRP HH2 . . 4.450 3.847 2.810 4.447 . 0 0 "[ . 1 . 2]" 1
843 1 38 LYS QE 1 47 TRP HZ2 . . 4.870 3.667 2.315 4.868 . 0 0 "[ . 1 . 2]" 1
844 1 38 LYS QE 1 47 TRP HZ3 . . 5.180 4.521 3.502 5.175 . 0 0 "[ . 1 . 2]" 1
845 1 39 GLU H 1 39 GLU QB . . 3.260 2.410 2.168 2.900 . 0 0 "[ . 1 . 2]" 1
846 1 39 GLU H 1 39 GLU QG . . 3.690 2.602 1.879 3.508 . 0 0 "[ . 1 . 2]" 1
847 1 39 GLU H 1 40 ASN H . . 4.130 3.853 2.941 4.131 0.001 13 0 "[ . 1 . 2]" 1
848 1 39 GLU HA 1 39 GLU QG . . 3.700 2.548 2.171 3.339 . 0 0 "[ . 1 . 2]" 1
849 1 39 GLU QB 1 40 ASN H . . 4.110 3.769 2.733 4.039 . 0 0 "[ . 1 . 2]" 1
850 1 39 GLU HB2 1 40 ASN H . . 4.710 4.397 2.831 4.599 . 0 0 "[ . 1 . 2]" 1
851 1 39 GLU HB3 1 40 ASN H . . 4.710 4.155 3.602 4.646 . 0 0 "[ . 1 . 2]" 1
852 1 39 GLU QG 1 40 ASN H . . 4.720 4.341 3.995 4.653 . 0 0 "[ . 1 . 2]" 1
853 1 40 ASN H 1 40 ASN HB2 . . 3.810 2.886 2.228 3.776 . 0 0 "[ . 1 . 2]" 1
854 1 40 ASN H 1 40 ASN QB . . 3.250 2.497 2.164 3.246 . 0 0 "[ . 1 . 2]" 1
855 1 40 ASN H 1 40 ASN HB3 . . 3.810 2.880 2.229 3.712 . 0 0 "[ . 1 . 2]" 1
856 1 40 ASN H 1 40 ASN QD . . 5.010 4.425 3.242 4.949 . 0 0 "[ . 1 . 2]" 1
857 1 40 ASN H 1 47 TRP HD1 . . 4.780 4.342 3.494 4.761 . 0 0 "[ . 1 . 2]" 1
858 1 40 ASN H 1 47 TRP HE1 . . 5.180 4.064 3.410 5.123 . 0 0 "[ . 1 . 2]" 1
859 1 40 ASN QB 1 41 GLN H . . 4.190 3.618 2.620 4.036 . 0 0 "[ . 1 . 2]" 1
860 1 40 ASN QB 1 46 PHE H . . 5.340 3.911 2.835 5.256 . 0 0 "[ . 1 . 2]" 1
861 1 40 ASN QB 1 47 TRP HD1 . . 5.020 3.331 2.255 4.692 . 0 0 "[ . 1 . 2]" 1
862 1 40 ASN QB 1 47 TRP HE1 . . 4.560 3.535 1.986 4.479 . 0 0 "[ . 1 . 2]" 1
863 1 40 ASN HB2 1 41 GLN H . . 4.830 4.182 2.809 4.662 . 0 0 "[ . 1 . 2]" 1
864 1 40 ASN HB2 1 47 TRP HE1 . . 5.180 4.179 1.994 5.179 . 0 0 "[ . 1 . 2]" 1
865 1 40 ASN HB3 1 41 GLN H . . 4.830 4.050 2.677 4.587 . 0 0 "[ . 1 . 2]" 1
866 1 40 ASN HB3 1 47 TRP HE1 . . 5.180 4.135 2.957 5.137 . 0 0 "[ . 1 . 2]" 1
867 1 40 ASN QD 1 41 GLN H . . 5.340 4.307 2.688 5.326 . 0 0 "[ . 1 . 2]" 1
868 1 40 ASN QD 1 45 GLY QA . . 4.570 2.991 1.946 4.555 . 0 0 "[ . 1 . 2]" 1
869 1 40 ASN QD 1 46 PHE H . . 4.240 3.011 1.966 4.179 . 0 0 "[ . 1 . 2]" 1
870 1 40 ASN HD21 1 46 PHE H . . 4.840 3.281 2.007 4.740 . 0 0 "[ . 1 . 2]" 1
871 1 40 ASN HD22 1 46 PHE H . . 4.840 3.758 2.622 4.793 . 0 0 "[ . 1 . 2]" 1
872 1 41 GLN H 1 41 GLN HB2 . . 4.180 2.766 2.207 3.811 . 0 0 "[ . 1 . 2]" 1
873 1 41 GLN H 1 41 GLN QB . . 3.450 2.475 2.142 3.067 . 0 0 "[ . 1 . 2]" 1
874 1 41 GLN H 1 41 GLN HB3 . . 4.180 3.052 2.557 3.777 . 0 0 "[ . 1 . 2]" 1
875 1 41 GLN H 1 41 GLN QG . . 4.180 3.461 2.235 4.153 . 0 0 "[ . 1 . 2]" 1
876 1 41 GLN H 1 42 ASP H . . 3.860 2.489 1.808 3.269 . 0 0 "[ . 1 . 2]" 1
877 1 41 GLN HA 1 41 GLN QG . . 3.630 2.623 2.138 3.446 . 0 0 "[ . 1 . 2]" 1
878 1 41 GLN QB 1 42 ASP H . . 3.920 2.941 2.157 3.941 0.021 17 0 "[ . 1 . 2]" 1
879 1 41 GLN HB2 1 42 ASP H . . 4.660 3.657 2.411 4.615 . 0 0 "[ . 1 . 2]" 1
880 1 41 GLN HB3 1 42 ASP H . . 4.660 3.288 2.174 4.380 . 0 0 "[ . 1 . 2]" 1
881 1 41 GLN QG 1 42 ASP H . . 4.710 3.692 1.995 4.551 . 0 0 "[ . 1 . 2]" 1
882 1 43 ASP H 1 43 ASP HB2 . . 4.160 2.710 2.219 3.787 . 0 0 "[ . 1 . 2]" 1
883 1 43 ASP H 1 43 ASP QB . . 3.590 2.498 2.156 3.320 . 0 0 "[ . 1 . 2]" 1
884 1 43 ASP H 1 43 ASP HB3 . . 4.160 3.271 2.593 3.734 . 0 0 "[ . 1 . 2]" 1
885 1 43 ASP H 1 44 ASP H . . 4.680 3.392 1.942 4.649 . 0 0 "[ . 1 . 2]" 1
886 1 43 ASP HA 1 44 ASP H . . 3.420 2.928 2.154 3.433 0.013 17 0 "[ . 1 . 2]" 1
887 1 43 ASP QB 1 44 ASP H . . 4.480 2.995 1.918 4.005 . 0 0 "[ . 1 . 2]" 1
888 1 44 ASP H 1 44 ASP HB2 . . 3.980 2.637 2.215 3.759 . 0 0 "[ . 1 . 2]" 1
889 1 44 ASP H 1 44 ASP QB . . 3.480 2.490 2.151 3.428 . 0 0 "[ . 1 . 2]" 1
890 1 44 ASP H 1 44 ASP HB3 . . 3.980 3.322 2.665 3.954 . 0 0 "[ . 1 . 2]" 1
891 1 44 ASP H 1 45 GLY H . . 3.430 2.784 1.984 3.408 . 0 0 "[ . 1 . 2]" 1
892 1 44 ASP HA 1 46 PHE H . . 5.500 4.853 3.099 5.435 . 0 0 "[ . 1 . 2]" 1
893 1 44 ASP QB 1 45 GLY H . . 3.960 2.659 1.926 3.935 . 0 0 "[ . 1 . 2]" 1
894 1 44 ASP QB 1 46 PHE H . . 4.460 3.431 2.552 4.426 . 0 0 "[ . 1 . 2]" 1
895 1 44 ASP HB2 1 45 GLY H . . 4.590 3.133 1.938 4.597 0.007 10 0 "[ . 1 . 2]" 1
896 1 44 ASP HB3 1 45 GLY H . . 4.590 3.279 2.064 4.502 . 0 0 "[ . 1 . 2]" 1
897 1 45 GLY H 1 46 PHE H . . 3.510 2.437 1.865 3.509 . 0 0 "[ . 1 . 2]" 1
898 1 45 GLY QA 1 46 PHE H . . 3.110 2.716 2.588 2.849 . 0 0 "[ . 1 . 2]" 1
899 1 46 PHE H 1 46 PHE HB2 . . 3.140 2.480 2.337 2.676 . 0 0 "[ . 1 . 2]" 1
900 1 46 PHE H 1 46 PHE HB3 . . 4.020 3.676 3.575 3.801 . 0 0 "[ . 1 . 2]" 1
901 1 46 PHE H 1 46 PHE QD . . 3.910 2.464 1.916 3.186 . 0 0 "[ . 1 . 2]" 1
902 1 46 PHE HA 1 47 TRP H . . 2.850 2.258 2.191 2.379 . 0 0 "[ . 1 . 2]" 1
903 1 46 PHE HA 1 59 PRO HA . . 3.480 3.034 2.721 3.443 . 0 0 "[ . 1 . 2]" 1
904 1 46 PHE HA 1 60 SER H . . 4.650 4.084 3.576 4.628 . 0 0 "[ . 1 . 2]" 1
905 1 46 PHE HB2 1 47 TRP H . . 4.260 4.005 3.674 4.146 . 0 0 "[ . 1 . 2]" 1
906 1 46 PHE HB2 1 57 VAL HB . . 3.930 3.538 2.711 3.927 . 0 0 "[ . 1 . 2]" 1
907 1 46 PHE HB2 1 57 VAL MG1 . . 4.930 4.169 3.480 4.563 . 0 0 "[ . 1 . 2]" 1
908 1 46 PHE HB2 1 57 VAL MG2 . . 4.800 4.258 3.368 4.699 . 0 0 "[ . 1 . 2]" 1
909 1 46 PHE HB2 1 58 PHE H . . 4.970 4.898 4.742 4.970 . 0 0 "[ . 1 . 2]" 1
910 1 46 PHE HB3 1 47 TRP H . . 3.740 2.836 2.487 3.064 . 0 0 "[ . 1 . 2]" 1
911 1 46 PHE HB3 1 57 VAL HA . . 5.020 4.156 3.778 4.405 . 0 0 "[ . 1 . 2]" 1
912 1 46 PHE HB3 1 57 VAL HB . . 3.430 2.470 2.052 2.857 . 0 0 "[ . 1 . 2]" 1
913 1 46 PHE HB3 1 57 VAL MG1 . . 4.100 3.753 3.276 4.076 . 0 0 "[ . 1 . 2]" 1
914 1 46 PHE HB3 1 57 VAL MG2 . . 4.420 3.619 3.240 3.952 . 0 0 "[ . 1 . 2]" 1
915 1 46 PHE HB3 1 58 PHE H . . 3.940 3.179 3.024 3.285 . 0 0 "[ . 1 . 2]" 1
916 1 46 PHE QD 1 47 TRP H . . 4.490 4.076 3.456 4.310 . 0 0 "[ . 1 . 2]" 1
917 1 46 PHE QD 1 57 VAL HB . . 3.830 3.106 2.535 3.815 . 0 0 "[ . 1 . 2]" 1
918 1 46 PHE QD 1 57 VAL MG1 . . 5.160 4.483 4.059 4.835 . 0 0 "[ . 1 . 2]" 1
919 1 46 PHE QD 1 57 VAL MG2 . . 3.830 2.996 2.528 3.765 . 0 0 "[ . 1 . 2]" 1
920 1 46 PHE QD 1 58 PHE HA . . 4.270 3.129 2.708 4.053 . 0 0 "[ . 1 . 2]" 1
921 1 46 PHE QD 1 59 PRO HA . . 4.730 3.058 2.092 3.507 . 0 0 "[ . 1 . 2]" 1
922 1 46 PHE QD 1 59 PRO HD3 . . 4.170 3.690 3.177 4.165 . 0 0 "[ . 1 . 2]" 1
923 1 46 PHE QE 1 57 VAL MG2 . . 4.540 4.098 3.523 4.537 . 0 0 "[ . 1 . 2]" 1
924 1 46 PHE QE 1 59 PRO HD3 . . 4.340 3.010 2.384 4.027 . 0 0 "[ . 1 . 2]" 1
925 1 46 PHE HZ 1 59 PRO HA . . 4.960 3.883 3.520 4.959 . 0 0 "[ . 1 . 2]" 1
926 1 47 TRP H 1 47 TRP HB2 . . 4.060 2.498 2.379 2.653 . 0 0 "[ . 1 . 2]" 1
927 1 47 TRP H 1 47 TRP QB . . 3.240 2.460 2.347 2.604 . 0 0 "[ . 1 . 2]" 1
928 1 47 TRP H 1 47 TRP HB3 . . 4.060 3.688 3.596 3.786 . 0 0 "[ . 1 . 2]" 1
929 1 47 TRP H 1 47 TRP HD1 . . 4.610 3.831 3.245 4.181 . 0 0 "[ . 1 . 2]" 1
930 1 47 TRP H 1 48 GLU H . . 4.700 4.502 4.432 4.558 . 0 0 "[ . 1 . 2]" 1
931 1 47 TRP H 1 57 VAL HA . . 4.820 4.504 4.231 4.804 . 0 0 "[ . 1 . 2]" 1
932 1 47 TRP H 1 58 PHE H . . 3.480 2.912 2.623 3.332 . 0 0 "[ . 1 . 2]" 1
933 1 47 TRP H 1 59 PRO HA . . 4.580 4.468 4.194 4.581 0.001 18 0 "[ . 1 . 2]" 1
934 1 47 TRP H 1 60 SER H . . 4.380 3.836 3.563 4.076 . 0 0 "[ . 1 . 2]" 1
935 1 47 TRP HA 1 47 TRP HD1 . . 3.330 2.126 2.003 2.254 . 0 0 "[ . 1 . 2]" 1
936 1 47 TRP HA 1 47 TRP HE1 . . 4.760 4.630 4.495 4.730 . 0 0 "[ . 1 . 2]" 1
937 1 47 TRP HA 1 48 GLU H . . 3.060 2.392 2.195 2.572 . 0 0 "[ . 1 . 2]" 1
938 1 47 TRP QB 1 47 TRP HE3 . . 3.550 2.548 2.487 2.624 . 0 0 "[ . 1 . 2]" 1
939 1 47 TRP QB 1 48 GLU H . . 3.220 2.462 2.061 3.013 . 0 0 "[ . 1 . 2]" 1
940 1 47 TRP QB 1 58 PHE QE . . 4.000 2.734 2.302 2.936 . 0 0 "[ . 1 . 2]" 1
941 1 47 TRP QB 1 58 PHE HZ . . 4.080 2.831 2.480 3.263 . 0 0 "[ . 1 . 2]" 1
942 1 47 TRP HB2 1 47 TRP HE3 . . 4.070 2.676 2.556 2.971 . 0 0 "[ . 1 . 2]" 1
943 1 47 TRP HB2 1 58 PHE QE . . 4.590 2.842 2.364 3.039 . 0 0 "[ . 1 . 2]" 1
944 1 47 TRP HB2 1 58 PHE HZ . . 4.680 3.218 2.603 3.552 . 0 0 "[ . 1 . 2]" 1
945 1 47 TRP HB3 1 47 TRP HE3 . . 4.070 3.252 2.920 3.410 . 0 0 "[ . 1 . 2]" 1
946 1 47 TRP HB3 1 58 PHE QE . . 4.590 3.600 2.972 4.073 . 0 0 "[ . 1 . 2]" 1
947 1 47 TRP HB3 1 58 PHE HZ . . 4.680 3.210 2.608 3.953 . 0 0 "[ . 1 . 2]" 1
948 1 47 TRP HD1 1 48 GLU H . . 4.640 4.150 3.919 4.387 . 0 0 "[ . 1 . 2]" 1
949 1 47 TRP HE1 1 60 SER HB2 . . 5.410 5.008 4.601 5.313 . 0 0 "[ . 1 . 2]" 1
950 1 47 TRP HE1 1 60 SER QB . . 4.750 4.444 4.052 4.744 . 0 0 "[ . 1 . 2]" 1
951 1 47 TRP HE1 1 60 SER HB3 . . 5.410 4.975 4.500 5.348 . 0 0 "[ . 1 . 2]" 1
952 1 47 TRP HE3 1 58 PHE QE . . 3.950 2.394 2.001 2.767 . 0 0 "[ . 1 . 2]" 1
953 1 47 TRP HE3 1 58 PHE HZ . . 4.110 3.813 3.193 4.109 . 0 0 "[ . 1 . 2]" 1
954 1 47 TRP HE3 1 60 SER HA . . 5.230 3.763 3.369 4.335 . 0 0 "[ . 1 . 2]" 1
955 1 47 TRP HE3 1 60 SER QB . . 4.870 2.767 2.529 3.226 . 0 0 "[ . 1 . 2]" 1
956 1 47 TRP HE3 1 63 VAL MG2 . . 4.070 3.655 3.225 4.046 . 0 0 "[ . 1 . 2]" 1
957 1 47 TRP HH2 1 60 SER HB2 . . 5.500 4.443 3.599 5.380 . 0 0 "[ . 1 . 2]" 1
958 1 47 TRP HH2 1 60 SER QB . . 4.820 3.936 3.534 4.742 . 0 0 "[ . 1 . 2]" 1
959 1 47 TRP HH2 1 60 SER HB3 . . 5.500 4.924 3.924 5.501 0.001 13 0 "[ . 1 . 2]" 1
960 1 47 TRP HZ2 1 60 SER HB2 . . 5.450 4.633 3.978 5.338 . 0 0 "[ . 1 . 2]" 1
961 1 47 TRP HZ2 1 60 SER QB . . 4.690 4.202 3.811 4.671 . 0 0 "[ . 1 . 2]" 1
962 1 47 TRP HZ2 1 60 SER HB3 . . 5.450 4.983 4.476 5.381 . 0 0 "[ . 1 . 2]" 1
963 1 47 TRP HZ3 1 60 SER HB2 . . 5.500 3.872 2.957 4.982 . 0 0 "[ . 1 . 2]" 1
964 1 47 TRP HZ3 1 60 SER QB . . 4.700 3.240 2.904 4.129 . 0 0 "[ . 1 . 2]" 1
965 1 47 TRP HZ3 1 60 SER HB3 . . 5.500 4.146 3.000 5.121 . 0 0 "[ . 1 . 2]" 1
966 1 48 GLU H 1 48 GLU HB2 . . 3.710 2.835 2.682 3.003 . 0 0 "[ . 1 . 2]" 1
967 1 48 GLU H 1 48 GLU HB3 . . 3.340 2.747 2.600 2.966 . 0 0 "[ . 1 . 2]" 1
968 1 48 GLU H 1 48 GLU HG3 . . 4.990 4.607 4.487 4.736 . 0 0 "[ . 1 . 2]" 1
969 1 48 GLU H 1 49 GLY H . . 4.890 4.358 4.205 4.448 . 0 0 "[ . 1 . 2]" 1
970 1 48 GLU HA 1 48 GLU HG2 . . 4.190 3.009 2.693 3.265 . 0 0 "[ . 1 . 2]" 1
971 1 48 GLU HA 1 48 GLU HG3 . . 3.600 2.450 2.221 2.746 . 0 0 "[ . 1 . 2]" 1
972 1 48 GLU HA 1 49 GLY H . . 2.910 2.153 2.143 2.183 . 0 0 "[ . 1 . 2]" 1
973 1 48 GLU HA 1 57 VAL HA . . 3.170 2.704 2.268 2.970 . 0 0 "[ . 1 . 2]" 1
974 1 48 GLU HA 1 57 VAL HB . . 4.790 4.537 4.201 4.778 . 0 0 "[ . 1 . 2]" 1
975 1 48 GLU HA 1 57 VAL MG1 . . 3.340 3.061 2.537 3.322 . 0 0 "[ . 1 . 2]" 1
976 1 48 GLU HA 1 58 PHE H . . 4.520 3.974 3.666 4.171 . 0 0 "[ . 1 . 2]" 1
977 1 48 GLU HA 1 58 PHE QE . . 5.170 2.786 2.434 3.194 . 0 0 "[ . 1 . 2]" 1
978 1 48 GLU HB2 1 49 GLY H . . 4.680 4.352 4.253 4.460 . 0 0 "[ . 1 . 2]" 1
979 1 48 GLU HB2 1 57 VAL HA . . 4.800 4.390 3.723 4.786 . 0 0 "[ . 1 . 2]" 1
980 1 48 GLU HB2 1 57 VAL MG1 . . 3.630 3.098 2.532 3.468 . 0 0 "[ . 1 . 2]" 1
981 1 48 GLU HB3 1 57 VAL MG1 . . 4.950 4.453 3.964 4.827 . 0 0 "[ . 1 . 2]" 1
982 1 48 GLU HG2 1 49 GLY H . . 4.360 3.151 2.741 3.646 . 0 0 "[ . 1 . 2]" 1
983 1 48 GLU HG2 1 55 ILE MG . . 3.530 2.631 1.915 3.412 . 0 0 "[ . 1 . 2]" 1
984 1 48 GLU HG2 1 57 VAL MG1 . . 4.680 4.215 3.830 4.681 0.001 20 0 "[ . 1 . 2]" 1
985 1 48 GLU HG3 1 49 GLY H . . 4.090 3.331 2.963 3.730 . 0 0 "[ . 1 . 2]" 1
986 1 48 GLU HG3 1 55 ILE MG . . 3.880 2.926 2.378 3.533 . 0 0 "[ . 1 . 2]" 1
987 1 48 GLU HG3 1 56 GLY H . . 4.440 4.047 3.421 4.415 . 0 0 "[ . 1 . 2]" 1
988 1 48 GLU HG3 1 57 VAL HA . . 4.580 3.852 3.219 4.459 . 0 0 "[ . 1 . 2]" 1
989 1 48 GLU HG3 1 57 VAL MG1 . . 3.420 2.752 2.288 3.255 . 0 0 "[ . 1 . 2]" 1
990 1 49 GLY H 1 50 GLU H . . 4.920 4.411 4.353 4.454 . 0 0 "[ . 1 . 2]" 1
991 1 49 GLY H 1 56 GLY H . . 3.570 3.373 3.072 3.568 . 0 0 "[ . 1 . 2]" 1
992 1 49 GLY H 1 57 VAL HA . . 4.130 3.804 3.503 4.057 . 0 0 "[ . 1 . 2]" 1
993 1 49 GLY H 1 57 VAL MG1 . . 4.710 4.474 4.125 4.707 . 0 0 "[ . 1 . 2]" 1
994 1 49 GLY H 1 58 PHE QD . . 4.220 3.736 3.360 3.960 . 0 0 "[ . 1 . 2]" 1
995 1 49 GLY H 1 58 PHE QE . . 3.780 2.005 1.901 2.147 . 0 0 "[ . 1 . 2]" 1
996 1 49 GLY HA2 1 50 GLU H . . 3.280 2.339 2.246 2.383 . 0 0 "[ . 1 . 2]" 1
997 1 49 GLY HA2 1 58 PHE QE . . 4.430 3.910 3.589 4.135 . 0 0 "[ . 1 . 2]" 1
998 1 49 GLY HA3 1 50 GLU H . . 3.340 2.820 2.762 2.951 . 0 0 "[ . 1 . 2]" 1
999 1 49 GLY HA3 1 58 PHE QE . . 3.700 2.788 2.426 3.067 . 0 0 "[ . 1 . 2]" 1
1000 1 50 GLU H 1 50 GLU HB2 . . 3.630 2.832 2.489 3.068 . 0 0 "[ . 1 . 2]" 1
1001 1 50 GLU H 1 50 GLU HB3 . . 3.490 2.588 2.443 2.773 . 0 0 "[ . 1 . 2]" 1
1002 1 50 GLU H 1 50 GLU HG3 . . 4.960 4.649 4.443 4.777 . 0 0 "[ . 1 . 2]" 1
1003 1 50 GLU HA 1 50 GLU HG2 . . 3.730 2.882 2.586 3.096 . 0 0 "[ . 1 . 2]" 1
1004 1 50 GLU HA 1 50 GLU HG3 . . 3.710 2.697 2.434 2.921 . 0 0 "[ . 1 . 2]" 1
1005 1 50 GLU HA 1 51 PHE H . . 2.780 2.179 2.139 2.280 . 0 0 "[ . 1 . 2]" 1
1006 1 50 GLU HA 1 54 ARG H . . 4.780 4.064 3.606 4.701 . 0 0 "[ . 1 . 2]" 1
1007 1 50 GLU HA 1 55 ILE HA . . 3.300 2.554 2.283 2.813 . 0 0 "[ . 1 . 2]" 1
1008 1 50 GLU HA 1 55 ILE MD . . 4.920 4.627 3.600 4.908 . 0 0 "[ . 1 . 2]" 1
1009 1 50 GLU HA 1 55 ILE HG12 . . 4.610 3.316 2.994 3.844 . 0 0 "[ . 1 . 2]" 1
1010 1 50 GLU HA 1 55 ILE HG13 . . 4.610 3.684 2.035 4.136 . 0 0 "[ . 1 . 2]" 1
1011 1 50 GLU HA 1 55 ILE MG . . 4.220 3.846 3.293 4.153 . 0 0 "[ . 1 . 2]" 1
1012 1 50 GLU HA 1 56 GLY H . . 4.050 3.871 3.638 4.049 . 0 0 "[ . 1 . 2]" 1
1013 1 50 GLU HB2 1 51 PHE H . . 4.420 4.206 3.956 4.365 . 0 0 "[ . 1 . 2]" 1
1014 1 50 GLU HB2 1 55 ILE HA . . 4.560 3.965 3.729 4.334 . 0 0 "[ . 1 . 2]" 1
1015 1 50 GLU HB2 1 55 ILE MD . . 3.900 3.682 2.838 3.900 0.000 7 0 "[ . 1 . 2]" 1
1016 1 50 GLU HB2 1 55 ILE HG12 . . 4.540 2.611 2.200 3.203 . 0 0 "[ . 1 . 2]" 1
1017 1 50 GLU HB2 1 55 ILE QG . . 3.690 2.514 1.893 2.787 . 0 0 "[ . 1 . 2]" 1
1018 1 50 GLU HB2 1 55 ILE HG13 . . 4.540 3.571 2.010 4.080 . 0 0 "[ . 1 . 2]" 1
1019 1 50 GLU HB2 1 55 ILE MG . . 4.080 3.878 3.407 4.079 . 0 0 "[ . 1 . 2]" 1
1020 1 50 GLU HB3 1 55 ILE QG . . 5.340 4.023 3.276 4.348 . 0 0 "[ . 1 . 2]" 1
1021 1 50 GLU HG2 1 51 PHE H . . 3.560 2.696 1.995 3.292 . 0 0 "[ . 1 . 2]" 1
1022 1 50 GLU HG2 1 53 GLY H . . 3.860 3.022 1.906 3.647 . 0 0 "[ . 1 . 2]" 1
1023 1 50 GLU HG2 1 53 GLY QA . . 4.620 3.487 2.795 4.219 . 0 0 "[ . 1 . 2]" 1
1024 1 50 GLU HG2 1 54 ARG H . . 3.630 2.935 2.392 3.415 . 0 0 "[ . 1 . 2]" 1
1025 1 50 GLU HG2 1 55 ILE HA . . 5.280 4.746 4.346 5.152 . 0 0 "[ . 1 . 2]" 1
1026 1 50 GLU HG2 1 55 ILE MD . . 5.170 4.869 3.278 5.166 . 0 0 "[ . 1 . 2]" 1
1027 1 50 GLU HG2 1 55 ILE HG12 . . 4.740 4.402 4.118 4.741 0.001 14 0 "[ . 1 . 2]" 1
1028 1 50 GLU HG2 1 55 ILE QG . . 4.100 3.786 3.177 4.069 . 0 0 "[ . 1 . 2]" 1
1029 1 50 GLU HG2 1 55 ILE HG13 . . 4.740 4.180 3.236 4.601 . 0 0 "[ . 1 . 2]" 1
1030 1 50 GLU HG3 1 51 PHE H . . 4.050 3.360 2.623 3.841 . 0 0 "[ . 1 . 2]" 1
1031 1 50 GLU HG3 1 53 GLY H . . 4.910 4.164 2.771 4.857 . 0 0 "[ . 1 . 2]" 1
1032 1 50 GLU HG3 1 54 ARG H . . 4.550 3.261 2.708 4.106 . 0 0 "[ . 1 . 2]" 1
1033 1 50 GLU HG3 1 55 ILE HA . . 4.900 3.735 3.188 4.356 . 0 0 "[ . 1 . 2]" 1
1034 1 50 GLU HG3 1 55 ILE MD . . 3.840 3.455 1.985 3.770 . 0 0 "[ . 1 . 2]" 1
1035 1 50 GLU HG3 1 55 ILE HG12 . . 4.190 2.863 2.518 3.385 . 0 0 "[ . 1 . 2]" 1
1036 1 50 GLU HG3 1 55 ILE QG . . 3.630 2.361 1.987 2.768 . 0 0 "[ . 1 . 2]" 1
1037 1 50 GLU HG3 1 55 ILE HG13 . . 4.190 2.561 2.001 3.091 . 0 0 "[ . 1 . 2]" 1
1038 1 51 PHE H 1 51 PHE HB2 . . 4.070 3.302 2.817 3.618 . 0 0 "[ . 1 . 2]" 1
1039 1 51 PHE H 1 51 PHE QB . . 3.400 2.542 2.203 2.855 . 0 0 "[ . 1 . 2]" 1
1040 1 51 PHE H 1 51 PHE HB3 . . 4.070 2.646 2.269 2.989 . 0 0 "[ . 1 . 2]" 1
1041 1 51 PHE H 1 51 PHE QD . . 4.740 4.213 3.948 4.447 . 0 0 "[ . 1 . 2]" 1
1042 1 51 PHE H 1 54 ARG H . . 3.810 2.719 1.987 3.625 . 0 0 "[ . 1 . 2]" 1
1043 1 51 PHE H 1 54 ARG QB . . 4.980 3.811 2.876 4.980 . 0 0 "[ . 1 . 2]" 1
1044 1 51 PHE H 1 55 ILE HA . . 4.090 3.798 3.340 4.093 0.003 15 0 "[ . 1 . 2]" 1
1045 1 51 PHE HA 1 51 PHE QD . . 3.590 2.601 2.106 3.224 . 0 0 "[ . 1 . 2]" 1
1046 1 51 PHE QD 1 52 ASN H . . 4.670 3.093 2.293 4.550 . 0 0 "[ . 1 . 2]" 1
1047 1 51 PHE QD 1 52 ASN HB2 . . 5.080 3.539 2.189 4.914 . 0 0 "[ . 1 . 2]" 1
1048 1 51 PHE QD 1 52 ASN QB . . 4.420 3.037 2.156 4.047 . 0 0 "[ . 1 . 2]" 1
1049 1 51 PHE QD 1 52 ASN HB3 . . 5.080 3.601 2.485 4.593 . 0 0 "[ . 1 . 2]" 1
1050 1 51 PHE QE 1 52 ASN QB . . 4.680 3.117 2.440 4.592 . 0 0 "[ . 1 . 2]" 1
1051 1 52 ASN H 1 53 GLY H . . 4.380 3.032 2.484 3.882 . 0 0 "[ . 1 . 2]" 1
1052 1 52 ASN HA 1 53 GLY H . . 3.200 2.725 2.247 2.989 . 0 0 "[ . 1 . 2]" 1
1053 1 52 ASN QB 1 53 GLY H . . 4.430 3.893 3.732 4.042 . 0 0 "[ . 1 . 2]" 1
1054 1 52 ASN QB 1 54 ARG H . . 4.660 4.273 3.613 4.671 0.011 11 0 "[ . 1 . 2]" 1
1055 1 52 ASN HB2 1 53 GLY H . . 5.040 4.517 4.023 4.662 . 0 0 "[ . 1 . 2]" 1
1056 1 52 ASN HB3 1 53 GLY H . . 5.040 4.271 4.026 4.662 . 0 0 "[ . 1 . 2]" 1
1057 1 53 GLY H 1 54 ARG H . . 3.330 2.595 2.266 2.899 . 0 0 "[ . 1 . 2]" 1
1058 1 53 GLY QA 1 54 ARG QB . . 5.340 4.315 3.970 4.559 . 0 0 "[ . 1 . 2]" 1
1059 1 54 ARG H 1 54 ARG QB . . 3.570 2.719 2.336 3.145 . 0 0 "[ . 1 . 2]" 1
1060 1 54 ARG H 1 54 ARG QD . . 4.890 4.634 3.989 4.861 . 0 0 "[ . 1 . 2]" 1
1061 1 54 ARG H 1 54 ARG HG2 . . 4.130 3.440 2.159 4.129 . 0 0 "[ . 1 . 2]" 1
1062 1 54 ARG H 1 54 ARG HG3 . . 4.130 3.620 2.913 4.144 0.014 15 0 "[ . 1 . 2]" 1
1063 1 54 ARG H 1 55 ILE H . . 4.490 4.322 4.103 4.498 0.008 10 0 "[ . 1 . 2]" 1
1064 1 54 ARG H 1 55 ILE QG . . 5.340 4.270 4.009 4.596 . 0 0 "[ . 1 . 2]" 1
1065 1 54 ARG HA 1 55 ILE H . . 2.840 2.235 2.139 2.422 . 0 0 "[ . 1 . 2]" 1
1066 1 54 ARG QB 1 54 ARG QD . . 3.480 2.168 2.018 2.441 . 0 0 "[ . 1 . 2]" 1
1067 1 54 ARG QB 1 55 ILE H . . 3.660 2.948 2.370 3.383 . 0 0 "[ . 1 . 2]" 1
1068 1 54 ARG QB 1 55 ILE HA . . 5.500 4.332 3.908 4.890 . 0 0 "[ . 1 . 2]" 1
1069 1 54 ARG QG 1 55 ILE H . . 4.040 3.862 3.049 4.058 0.018 15 0 "[ . 1 . 2]" 1
1070 1 55 ILE H 1 55 ILE HB . . 3.080 2.631 2.477 2.871 . 0 0 "[ . 1 . 2]" 1
1071 1 55 ILE H 1 55 ILE MD . . 4.560 3.653 2.233 4.207 . 0 0 "[ . 1 . 2]" 1
1072 1 55 ILE H 1 55 ILE HG12 . . 4.640 4.045 3.749 4.529 . 0 0 "[ . 1 . 2]" 1
1073 1 55 ILE H 1 55 ILE QG . . 3.770 2.765 2.430 3.549 . 0 0 "[ . 1 . 2]" 1
1074 1 55 ILE H 1 55 ILE HG13 . . 4.640 2.820 2.462 3.708 . 0 0 "[ . 1 . 2]" 1
1075 1 55 ILE H 1 55 ILE MG . . 4.040 3.838 3.774 3.920 . 0 0 "[ . 1 . 2]" 1
1076 1 55 ILE H 1 56 GLY H . . 4.630 4.324 3.931 4.547 . 0 0 "[ . 1 . 2]" 1
1077 1 55 ILE HA 1 55 ILE MD . . 4.090 3.814 3.330 3.891 . 0 0 "[ . 1 . 2]" 1
1078 1 55 ILE HA 1 55 ILE HG12 . . 3.950 2.733 2.568 3.511 . 0 0 "[ . 1 . 2]" 1
1079 1 55 ILE HA 1 55 ILE HG13 . . 3.950 2.825 2.314 2.967 . 0 0 "[ . 1 . 2]" 1
1080 1 55 ILE HA 1 55 ILE MG . . 3.310 2.418 2.301 2.466 . 0 0 "[ . 1 . 2]" 1
1081 1 55 ILE HA 1 56 GLY H . . 2.830 2.161 2.143 2.209 . 0 0 "[ . 1 . 2]" 1
1082 1 55 ILE HB 1 56 GLY H . . 4.470 4.217 3.992 4.384 . 0 0 "[ . 1 . 2]" 1
1083 1 55 ILE QG 1 56 GLY H . . 4.750 4.157 4.020 4.278 . 0 0 "[ . 1 . 2]" 1
1084 1 55 ILE MG 1 56 GLY H . . 3.180 2.634 2.077 3.088 . 0 0 "[ . 1 . 2]" 1
1085 1 55 ILE MG 1 56 GLY HA2 . . 4.120 3.323 3.060 3.574 . 0 0 "[ . 1 . 2]" 1
1086 1 55 ILE MG 1 56 GLY HA3 . . 4.830 4.218 3.992 4.461 . 0 0 "[ . 1 . 2]" 1
1087 1 56 GLY H 1 57 VAL H . . 4.640 4.320 4.179 4.421 . 0 0 "[ . 1 . 2]" 1
1088 1 56 GLY HA2 1 57 VAL H . . 3.390 2.735 2.476 2.953 . 0 0 "[ . 1 . 2]" 1
1089 1 56 GLY HA2 1 57 VAL MG2 . . 4.750 3.933 3.742 4.075 . 0 0 "[ . 1 . 2]" 1
1090 1 56 GLY HA3 1 57 VAL H . . 3.330 2.410 2.243 2.653 . 0 0 "[ . 1 . 2]" 1
1091 1 57 VAL H 1 57 VAL MG1 . . 3.490 2.960 2.684 3.183 . 0 0 "[ . 1 . 2]" 1
1092 1 57 VAL H 1 57 VAL MG2 . . 3.060 2.065 1.884 2.384 . 0 0 "[ . 1 . 2]" 1
1093 1 57 VAL HA 1 57 VAL MG1 . . 3.150 2.300 2.208 2.405 . 0 0 "[ . 1 . 2]" 1
1094 1 57 VAL HA 1 58 PHE H . . 2.960 2.225 2.157 2.329 . 0 0 "[ . 1 . 2]" 1
1095 1 57 VAL HA 1 58 PHE QD . . 4.120 2.676 2.462 3.047 . 0 0 "[ . 1 . 2]" 1
1096 1 57 VAL HB 1 58 PHE H . . 3.210 2.903 2.566 3.209 . 0 0 "[ . 1 . 2]" 1
1097 1 57 VAL MG1 1 58 PHE H . . 3.950 3.825 3.655 3.947 . 0 0 "[ . 1 . 2]" 1
1098 1 57 VAL MG1 1 58 PHE QD . . 5.500 4.530 4.400 4.784 . 0 0 "[ . 1 . 2]" 1
1099 1 57 VAL MG2 1 58 PHE H . . 4.140 3.804 3.549 3.975 . 0 0 "[ . 1 . 2]" 1
1100 1 58 PHE H 1 58 PHE QD . . 3.530 2.317 2.138 2.627 . 0 0 "[ . 1 . 2]" 1
1101 1 58 PHE HA 1 59 PRO HD2 . . 3.680 2.478 2.448 2.515 . 0 0 "[ . 1 . 2]" 1
1102 1 58 PHE HA 1 59 PRO HD3 . . 3.220 2.331 2.318 2.349 . 0 0 "[ . 1 . 2]" 1
1103 1 58 PHE HA 1 60 SER H . . 4.030 3.890 3.871 3.928 . 0 0 "[ . 1 . 2]" 1
1104 1 58 PHE HB2 1 59 PRO HD2 . . 3.290 2.000 1.986 2.018 . 0 0 "[ . 1 . 2]" 1
1105 1 58 PHE HB2 1 59 PRO HD3 . . 3.580 3.450 3.438 3.464 . 0 0 "[ . 1 . 2]" 1
1106 1 58 PHE HB2 1 62 LEU MD1 . . 5.190 4.930 4.735 5.147 . 0 0 "[ . 1 . 2]" 1
1107 1 58 PHE HB3 1 59 PRO HD2 . . 4.150 2.885 2.740 3.008 . 0 0 "[ . 1 . 2]" 1
1108 1 58 PHE HB3 1 59 PRO HD3 . . 4.030 3.914 3.782 4.025 . 0 0 "[ . 1 . 2]" 1
1109 1 58 PHE QD 1 59 PRO HD2 . . 4.170 3.923 3.872 3.965 . 0 0 "[ . 1 . 2]" 1
1110 1 58 PHE QD 1 60 SER HA . . 4.500 2.216 2.105 2.333 . 0 0 "[ . 1 . 2]" 1
1111 1 58 PHE QD 1 62 LEU HB2 . . 5.500 5.479 5.283 5.506 0.006 20 0 "[ . 1 . 2]" 1
1112 1 58 PHE QD 1 63 VAL MG1 . . 3.650 2.857 2.646 3.134 . 0 0 "[ . 1 . 2]" 1
1113 1 58 PHE QD 1 63 VAL MG2 . . 3.860 2.821 2.568 3.103 . 0 0 "[ . 1 . 2]" 1
1114 1 58 PHE QE 1 60 SER HA . . 4.000 3.361 3.127 3.599 . 0 0 "[ . 1 . 2]" 1
1115 1 58 PHE QE 1 60 SER HB2 . . 5.500 4.448 3.422 5.327 . 0 0 "[ . 1 . 2]" 1
1116 1 58 PHE QE 1 60 SER HB3 . . 5.500 4.056 3.576 5.449 . 0 0 "[ . 1 . 2]" 1
1117 1 58 PHE QE 1 63 VAL HB . . 5.210 5.056 4.782 5.195 . 0 0 "[ . 1 . 2]" 1
1118 1 58 PHE QE 1 63 VAL MG1 . . 3.640 3.568 3.407 3.643 0.003 13 0 "[ . 1 . 2]" 1
1119 1 58 PHE QE 1 63 VAL MG2 . . 3.090 2.999 2.575 3.092 0.002 17 0 "[ . 1 . 2]" 1
1120 1 58 PHE HZ 1 63 VAL MG1 . . 5.260 5.181 4.956 5.264 0.004 20 0 "[ . 1 . 2]" 1
1121 1 59 PRO HA 1 60 SER H . . 3.420 3.318 3.286 3.394 . 0 0 "[ . 1 . 2]" 1
1122 1 59 PRO HA 1 60 SER HA . . 5.380 5.200 5.187 5.231 . 0 0 "[ . 1 . 2]" 1
1123 1 59 PRO HA 1 61 VAL H . . 4.690 4.455 4.253 4.625 . 0 0 "[ . 1 . 2]" 1
1124 1 59 PRO HA 1 61 VAL QG . . 4.900 3.556 3.447 3.652 . 0 0 "[ . 1 . 2]" 1
1125 1 59 PRO HB2 1 60 SER H . . 4.200 3.929 3.779 3.986 . 0 0 "[ . 1 . 2]" 1
1126 1 59 PRO HB2 1 61 VAL H . . 3.920 3.125 2.894 3.365 . 0 0 "[ . 1 . 2]" 1
1127 1 59 PRO HB2 1 61 VAL QG . . 3.850 1.817 1.751 1.922 . 0 0 "[ . 1 . 2]" 1
1128 1 59 PRO HB2 1 62 LEU H . . 4.470 4.132 4.032 4.244 . 0 0 "[ . 1 . 2]" 1
1129 1 59 PRO HB2 1 62 LEU MD2 . . 5.500 5.302 5.014 5.500 0.000 15 0 "[ . 1 . 2]" 1
1130 1 59 PRO HB3 1 60 SER H . . 4.620 4.484 4.398 4.516 . 0 0 "[ . 1 . 2]" 1
1131 1 59 PRO HB3 1 61 VAL H . . 4.760 4.580 4.387 4.761 0.001 13 0 "[ . 1 . 2]" 1
1132 1 59 PRO HB3 1 61 VAL QG . . 3.880 3.038 2.966 3.151 . 0 0 "[ . 1 . 2]" 1
1133 1 59 PRO HB3 1 62 LEU H . . 5.500 5.466 5.393 5.503 0.003 18 0 "[ . 1 . 2]" 1
1134 1 59 PRO HD2 1 62 LEU HB2 . . 5.400 4.226 3.992 4.540 . 0 0 "[ . 1 . 2]" 1
1135 1 59 PRO HD2 1 62 LEU MD1 . . 4.030 3.688 3.387 3.897 . 0 0 "[ . 1 . 2]" 1
1136 1 59 PRO HD2 1 62 LEU HG . . 4.900 4.563 4.256 4.867 . 0 0 "[ . 1 . 2]" 1
1137 1 59 PRO HD3 1 62 LEU MD1 . . 4.430 4.193 3.903 4.376 . 0 0 "[ . 1 . 2]" 1
1138 1 59 PRO QG 1 60 SER H . . 4.970 3.210 2.962 3.310 . 0 0 "[ . 1 . 2]" 1
1139 1 59 PRO QG 1 61 VAL H . . 4.020 2.513 2.361 2.635 . 0 0 "[ . 1 . 2]" 1
1140 1 59 PRO QG 1 62 LEU H . . 4.500 2.700 2.599 2.756 . 0 0 "[ . 1 . 2]" 1
1141 1 59 PRO QG 1 62 LEU MD2 . . 4.630 4.027 3.800 4.207 . 0 0 "[ . 1 . 2]" 1
1142 1 59 PRO HG2 1 61 VAL H . . 4.820 2.532 2.377 2.657 . 0 0 "[ . 1 . 2]" 1
1143 1 59 PRO HG2 1 62 LEU H . . 5.160 2.727 2.624 2.785 . 0 0 "[ . 1 . 2]" 1
1144 1 59 PRO HG3 1 61 VAL H . . 4.820 4.238 4.069 4.380 . 0 0 "[ . 1 . 2]" 1
1145 1 59 PRO HG3 1 62 LEU H . . 5.160 4.323 4.205 4.407 . 0 0 "[ . 1 . 2]" 1
1146 1 60 SER H 1 60 SER HB2 . . 4.060 3.751 3.060 3.985 . 0 0 "[ . 1 . 2]" 1
1147 1 60 SER H 1 60 SER QB . . 3.520 3.058 2.868 3.380 . 0 0 "[ . 1 . 2]" 1
1148 1 60 SER H 1 60 SER HB3 . . 4.060 3.361 2.948 3.946 . 0 0 "[ . 1 . 2]" 1
1149 1 60 SER H 1 61 VAL H . . 3.510 2.809 2.642 2.915 . 0 0 "[ . 1 . 2]" 1
1150 1 60 SER H 1 61 VAL MG1 . . 5.330 4.326 4.140 4.510 . 0 0 "[ . 1 . 2]" 1
1151 1 60 SER H 1 61 VAL QG . . 4.650 3.715 3.625 3.778 . 0 0 "[ . 1 . 2]" 1
1152 1 60 SER H 1 61 VAL MG2 . . 5.330 4.061 3.827 4.217 . 0 0 "[ . 1 . 2]" 1
1153 1 60 SER HA 1 62 LEU H . . 4.480 4.078 3.915 4.194 . 0 0 "[ . 1 . 2]" 1
1154 1 60 SER HA 1 63 VAL H . . 4.770 4.137 3.643 4.511 . 0 0 "[ . 1 . 2]" 1
1155 1 60 SER HA 1 63 VAL MG1 . . 4.780 3.495 3.219 3.785 . 0 0 "[ . 1 . 2]" 1
1156 1 60 SER HA 1 63 VAL MG2 . . 3.510 2.348 2.082 2.540 . 0 0 "[ . 1 . 2]" 1
1157 1 60 SER QB 1 61 VAL H . . 4.300 3.946 3.778 4.059 . 0 0 "[ . 1 . 2]" 1
1158 1 60 SER QB 1 63 VAL MG2 . . 4.160 3.441 3.203 3.704 . 0 0 "[ . 1 . 2]" 1
1159 1 60 SER HB2 1 63 VAL MG2 . . 4.810 3.953 3.446 4.713 . 0 0 "[ . 1 . 2]" 1
1160 1 60 SER HB3 1 63 VAL MG2 . . 4.810 4.037 3.311 4.480 . 0 0 "[ . 1 . 2]" 1
1161 1 61 VAL H 1 61 VAL HB . . 3.860 3.809 3.757 3.861 0.001 13 0 "[ . 1 . 2]" 1
1162 1 61 VAL H 1 61 VAL MG1 . . 3.900 2.852 2.699 3.059 . 0 0 "[ . 1 . 2]" 1
1163 1 61 VAL H 1 61 VAL QG . . 2.800 2.020 1.915 2.264 . 0 0 "[ . 1 . 2]" 1
1164 1 61 VAL H 1 61 VAL MG2 . . 3.900 2.073 1.935 2.389 . 0 0 "[ . 1 . 2]" 1
1165 1 61 VAL HA 1 61 VAL MG1 . . 3.370 2.368 2.317 2.440 . 0 0 "[ . 1 . 2]" 1
1166 1 61 VAL HA 1 61 VAL QG . . 2.830 2.308 2.265 2.367 . 0 0 "[ . 1 . 2]" 1
1167 1 61 VAL HA 1 61 VAL MG2 . . 3.370 3.194 3.189 3.200 . 0 0 "[ . 1 . 2]" 1
1168 1 61 VAL HA 1 63 VAL H . . 4.190 3.530 3.441 3.747 . 0 0 "[ . 1 . 2]" 1
1169 1 61 VAL HB 1 62 LEU H . . 4.560 3.953 3.791 4.133 . 0 0 "[ . 1 . 2]" 1
1170 1 61 VAL QG 1 62 LEU H . . 3.350 2.185 1.973 2.404 . 0 0 "[ . 1 . 2]" 1
1171 1 61 VAL MG1 1 62 LEU H . . 4.150 3.932 3.810 4.039 . 0 0 "[ . 1 . 2]" 1
1172 1 61 VAL MG2 1 62 LEU H . . 4.150 2.196 1.979 2.426 . 0 0 "[ . 1 . 2]" 1
1173 1 62 LEU H 1 62 LEU HB2 . . 3.170 2.462 2.382 2.508 . 0 0 "[ . 1 . 2]" 1
1174 1 62 LEU H 1 62 LEU HB3 . . 3.690 3.628 3.596 3.650 . 0 0 "[ . 1 . 2]" 1
1175 1 62 LEU H 1 62 LEU MD1 . . 3.710 3.674 3.547 3.713 0.003 13 0 "[ . 1 . 2]" 1
1176 1 62 LEU H 1 62 LEU MD2 . . 3.910 3.630 3.428 3.752 . 0 0 "[ . 1 . 2]" 1
1177 1 62 LEU H 1 62 LEU HG . . 3.100 2.523 2.343 2.646 . 0 0 "[ . 1 . 2]" 1
1178 1 62 LEU H 1 63 VAL H . . 3.100 2.631 2.417 2.855 . 0 0 "[ . 1 . 2]" 1
1179 1 62 LEU H 1 63 VAL MG1 . . 4.280 3.527 3.352 3.735 . 0 0 "[ . 1 . 2]" 1
1180 1 62 LEU H 1 63 VAL MG2 . . 4.330 3.736 3.538 3.903 . 0 0 "[ . 1 . 2]" 1
1181 1 62 LEU HA 1 62 LEU MD1 . . 4.270 3.898 3.871 3.915 . 0 0 "[ . 1 . 2]" 1
1182 1 62 LEU HA 1 62 LEU MD2 . . 3.000 2.083 1.975 2.323 . 0 0 "[ . 1 . 2]" 1
1183 1 62 LEU HB2 1 62 LEU MD1 . . 3.220 2.230 2.146 2.322 . 0 0 "[ . 1 . 2]" 1
1184 1 62 LEU HB2 1 62 LEU MD2 . . 3.590 3.178 3.171 3.194 . 0 0 "[ . 1 . 2]" 1
1185 1 62 LEU HB2 1 63 VAL H . . 4.170 3.787 3.383 4.022 . 0 0 "[ . 1 . 2]" 1
1186 1 62 LEU HB2 1 63 VAL MG1 . . 4.120 3.132 2.936 3.310 . 0 0 "[ . 1 . 2]" 1
1187 1 62 LEU HB3 1 62 LEU MD1 . . 3.380 2.431 2.351 2.514 . 0 0 "[ . 1 . 2]" 1
1188 1 62 LEU HB3 1 62 LEU MD2 . . 3.320 2.297 2.188 2.368 . 0 0 "[ . 1 . 2]" 1
1189 1 62 LEU HB3 1 63 VAL H . . 4.420 4.367 4.227 4.438 0.018 13 0 "[ . 1 . 2]" 1
1190 1 62 LEU HB3 1 63 VAL MG1 . . 4.150 3.942 3.846 4.107 . 0 0 "[ . 1 . 2]" 1
1191 1 62 LEU HG 1 63 VAL H . . 4.880 4.772 4.524 4.880 . 0 0 "[ . 1 . 2]" 1
1192 1 63 VAL H 1 63 VAL MG1 . . 3.490 2.792 2.565 2.920 . 0 0 "[ . 1 . 2]" 1
1193 1 63 VAL H 1 63 VAL MG2 . . 2.980 2.110 1.955 2.313 . 0 0 "[ . 1 . 2]" 1
1194 1 63 VAL H 1 64 GLU H . . 4.640 4.473 4.417 4.529 . 0 0 "[ . 1 . 2]" 1
1195 1 63 VAL HA 1 63 VAL MG1 . . 3.220 2.418 2.307 2.473 . 0 0 "[ . 1 . 2]" 1
1196 1 63 VAL HA 1 64 GLU H . . 2.970 2.392 2.295 2.563 . 0 0 "[ . 1 . 2]" 1
1197 1 63 VAL HA 1 64 GLU QB . . 5.140 4.019 3.927 4.146 . 0 0 "[ . 1 . 2]" 1
1198 1 63 VAL HB 1 64 GLU H . . 3.170 2.435 2.090 2.671 . 0 0 "[ . 1 . 2]" 1
1199 1 63 VAL MG1 1 64 GLU H . . 4.010 3.747 3.615 3.871 . 0 0 "[ . 1 . 2]" 1
1200 1 63 VAL MG2 1 64 GLU H . . 3.910 3.374 3.026 3.589 . 0 0 "[ . 1 . 2]" 1
1201 1 63 VAL MG2 1 65 GLU H . . 5.500 4.693 4.413 5.228 . 0 0 "[ . 1 . 2]" 1
1202 1 64 GLU H 1 64 GLU HB2 . . 4.050 3.563 3.168 3.953 . 0 0 "[ . 1 . 2]" 1
1203 1 64 GLU H 1 64 GLU HB3 . . 4.050 2.791 2.449 3.192 . 0 0 "[ . 1 . 2]" 1
1204 1 64 GLU H 1 64 GLU QG . . 4.080 3.244 2.262 4.085 0.005 7 0 "[ . 1 . 2]" 1
1205 1 64 GLU HA 1 64 GLU QG . . 3.660 3.166 2.657 3.447 . 0 0 "[ . 1 . 2]" 1
1206 1 64 GLU HA 1 65 GLU H . . 2.880 2.224 2.159 2.434 . 0 0 "[ . 1 . 2]" 1
1207 1 64 GLU QB 1 65 GLU H . . 4.470 3.231 2.432 3.704 . 0 0 "[ . 1 . 2]" 1
1208 1 64 GLU QG 1 65 GLU H . . 3.830 3.274 2.402 3.829 . 0 0 "[ . 1 . 2]" 1
1209 1 65 GLU H 1 65 GLU QB . . 3.060 2.273 2.165 2.389 . 0 0 "[ . 1 . 2]" 1
1210 1 65 GLU H 1 65 GLU HG2 . . 4.970 4.100 3.580 4.568 . 0 0 "[ . 1 . 2]" 1
1211 1 65 GLU H 1 65 GLU QG . . 4.110 3.134 2.285 4.069 . 0 0 "[ . 1 . 2]" 1
1212 1 65 GLU H 1 65 GLU HG3 . . 4.970 3.320 2.310 4.566 . 0 0 "[ . 1 . 2]" 1
1213 1 65 GLU H 1 66 LEU H . . 5.490 4.561 4.419 4.639 . 0 0 "[ . 1 . 2]" 1
1214 1 65 GLU HA 1 65 GLU QG . . 3.730 2.340 2.184 2.735 . 0 0 "[ . 1 . 2]" 1
1215 1 65 GLU HA 1 66 LEU H . . 2.790 2.190 2.140 2.301 . 0 0 "[ . 1 . 2]" 1
1216 1 65 GLU HA 1 66 LEU QB . . 4.680 4.372 4.223 4.497 . 0 0 "[ . 1 . 2]" 1
1217 1 65 GLU HA 1 66 LEU HG . . 5.190 3.876 3.308 4.423 . 0 0 "[ . 1 . 2]" 1
1218 1 65 GLU QB 1 66 LEU H . . 3.870 3.197 2.637 3.808 . 0 0 "[ . 1 . 2]" 1
1219 1 65 GLU QG 1 66 LEU H . . 4.160 3.486 2.419 4.057 . 0 0 "[ . 1 . 2]" 1
1220 1 65 GLU HG2 1 66 LEU H . . 4.870 3.899 2.453 4.870 0.000 15 0 "[ . 1 . 2]" 1
1221 1 65 GLU HG3 1 66 LEU H . . 4.870 4.273 3.153 4.846 . 0 0 "[ . 1 . 2]" 1
1222 1 66 LEU H 1 66 LEU QB . . 3.170 2.409 2.222 2.746 . 0 0 "[ . 1 . 2]" 1
1223 1 66 LEU H 1 66 LEU MD1 . . 4.500 3.494 3.201 3.713 . 0 0 "[ . 1 . 2]" 1
1224 1 66 LEU H 1 66 LEU QD . . 3.880 3.247 3.049 3.418 . 0 0 "[ . 1 . 2]" 1
1225 1 66 LEU H 1 66 LEU MD2 . . 4.500 3.886 3.524 4.114 . 0 0 "[ . 1 . 2]" 1
1226 1 66 LEU H 1 66 LEU HG . . 3.530 2.666 2.319 2.985 . 0 0 "[ . 1 . 2]" 1
1227 1 66 LEU HA 1 66 LEU MD1 . . 4.720 3.909 3.838 3.995 . 0 0 "[ . 1 . 2]" 1
1228 1 66 LEU HA 1 66 LEU QD . . 3.280 2.310 1.997 2.594 . 0 0 "[ . 1 . 2]" 1
1229 1 66 LEU HA 1 66 LEU MD2 . . 4.720 2.328 2.003 2.630 . 0 0 "[ . 1 . 2]" 1
1230 1 66 LEU QB 1 66 LEU MD1 . . 3.220 2.032 1.957 2.088 . 0 0 "[ . 1 . 2]" 1
1231 1 66 LEU QB 1 66 LEU MD2 . . 3.220 2.144 1.996 2.282 . 0 0 "[ . 1 . 2]" 1
1232 1 66 LEU QB 1 67 SER H . . 5.180 3.283 2.434 3.891 . 0 0 "[ . 1 . 2]" 1
1233 1 69 GLY HA2 1 70 PRO QD . . 3.410 2.510 1.956 3.415 0.005 12 0 "[ . 1 . 2]" 1
1234 1 69 GLY HA3 1 70 PRO QD . . 3.410 2.357 1.958 3.393 . 0 0 "[ . 1 . 2]" 1
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