NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
454399 |
2yuq   |
10211 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2yuq
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 1476
_Distance_constraint_stats_list.Viol_count 120
_Distance_constraint_stats_list.Viol_total 15.950
_Distance_constraint_stats_list.Viol_max 0.071
_Distance_constraint_stats_list.Viol_rms 0.0009
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0066
_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 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ARG 0.014 0.012 18 0 "[ . 1 . 2]"
1 12 ARG 0.011 0.007 7 0 "[ . 1 . 2]"
1 13 PRO 0.001 0.001 12 0 "[ . 1 . 2]"
1 14 LEU 0.043 0.033 5 0 "[ . 1 . 2]"
1 15 TRP 0.003 0.003 12 0 "[ . 1 . 2]"
1 16 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLU 0.139 0.046 12 0 "[ . 1 . 2]"
1 19 GLU 0.034 0.010 17 0 "[ . 1 . 2]"
1 20 THR 0.003 0.002 14 0 "[ . 1 . 2]"
1 21 VAL 0.004 0.002 14 0 "[ . 1 . 2]"
1 22 VAL 0.002 0.002 14 0 "[ . 1 . 2]"
1 23 ILE 0.007 0.006 16 0 "[ . 1 . 2]"
1 24 ALA 0.005 0.003 14 0 "[ . 1 . 2]"
1 25 LEU 0.002 0.001 13 0 "[ . 1 . 2]"
1 26 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ASP 0.053 0.022 18 0 "[ . 1 . 2]"
1 28 TYR 0.050 0.022 18 0 "[ . 1 . 2]"
1 29 GLN 0.007 0.004 4 0 "[ . 1 . 2]"
1 30 THR 0.006 0.004 4 0 "[ . 1 . 2]"
1 31 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ASP 0.084 0.045 16 0 "[ . 1 . 2]"
1 33 PRO 0.010 0.009 16 0 "[ . 1 . 2]"
1 34 GLN 0.003 0.001 20 0 "[ . 1 . 2]"
1 35 GLU 0.076 0.045 16 0 "[ . 1 . 2]"
1 36 LEU 0.005 0.003 16 0 "[ . 1 . 2]"
1 37 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 LEU 0.002 0.001 13 0 "[ . 1 . 2]"
1 39 ARG 0.000 0.000 20 0 "[ . 1 . 2]"
1 40 ARG 0.001 0.000 4 0 "[ . 1 . 2]"
1 41 ASN 0.003 0.001 17 0 "[ . 1 . 2]"
1 42 GLU 0.096 0.053 13 0 "[ . 1 . 2]"
1 43 GLU 0.000 0.000 3 0 "[ . 1 . 2]"
1 44 TYR 0.004 0.002 13 0 "[ . 1 . 2]"
1 45 CYS 0.002 0.001 13 0 "[ . 1 . 2]"
1 46 LEU 0.000 0.000 13 0 "[ . 1 . 2]"
1 47 LEU 0.003 0.002 17 0 "[ . 1 . 2]"
1 48 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 SER 0.000 0.000 13 0 "[ . 1 . 2]"
1 50 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ILE 0.076 0.071 17 0 "[ . 1 . 2]"
1 53 HIS 0.000 0.000 17 0 "[ . 1 . 2]"
1 54 TRP 0.001 0.001 1 0 "[ . 1 . 2]"
1 55 TRP 0.002 0.001 13 0 "[ . 1 . 2]"
1 56 ARG 0.013 0.010 20 0 "[ . 1 . 2]"
1 57 VAL 0.003 0.003 12 0 "[ . 1 . 2]"
1 58 GLN 0.005 0.001 14 0 "[ . 1 . 2]"
1 59 ASP 0.000 0.000 12 0 "[ . 1 . 2]"
1 60 ARG 0.039 0.039 16 0 "[ . 1 . 2]"
1 61 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 GLU 0.002 0.001 14 0 "[ . 1 . 2]"
1 65 GLY 0.001 0.001 13 0 "[ . 1 . 2]"
1 66 TYR 0.001 0.001 20 0 "[ . 1 . 2]"
1 67 VAL 0.003 0.003 12 0 "[ . 1 . 2]"
1 68 PRO 0.001 0.001 16 0 "[ . 1 . 2]"
1 69 SER 0.001 0.001 14 0 "[ . 1 . 2]"
1 70 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 TYR 0.001 0.001 16 0 "[ . 1 . 2]"
1 72 LEU 0.004 0.001 13 0 "[ . 1 . 2]"
1 73 VAL 0.005 0.001 19 0 "[ . 1 . 2]"
1 74 GLU 0.003 0.001 19 0 "[ . 1 . 2]"
1 75 LYS 0.017 0.008 13 0 "[ . 1 . 2]"
1 76 SER 0.040 0.021 10 0 "[ . 1 . 2]"
1 77 PRO 0.037 0.021 10 0 "[ . 1 . 2]"
1 78 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LEU 0.010 0.008 17 0 "[ . 1 . 2]"
1 81 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 THR 0.106 0.054 19 0 "[ . 1 . 2]"
1 83 TYR 0.101 0.054 19 0 "[ . 1 . 2]"
1 84 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 TRP 0.000 0.000 . 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 GLU HA 1 8 GLU QG . . 3.870 2.679 2.165 3.463 . 0 0 "[ . 1 . 2]" 1
2 1 11 ARG H 1 11 ARG HB2 . . 4.020 2.772 2.218 4.009 . 0 0 "[ . 1 . 2]" 1
3 1 11 ARG H 1 11 ARG QB . . 3.450 2.480 2.149 3.298 . 0 0 "[ . 1 . 2]" 1
4 1 11 ARG H 1 11 ARG HB3 . . 4.020 3.202 2.367 3.724 . 0 0 "[ . 1 . 2]" 1
5 1 11 ARG H 1 11 ARG QG . . 3.960 3.259 2.185 3.972 0.012 18 0 "[ . 1 . 2]" 1
6 1 11 ARG HA 1 11 ARG QD . . 4.260 3.377 2.059 4.258 . 0 0 "[ . 1 . 2]" 1
7 1 11 ARG HA 1 11 ARG QG . . 3.550 2.638 2.176 3.407 . 0 0 "[ . 1 . 2]" 1
8 1 11 ARG HA 1 12 ARG H . . 3.180 2.340 2.140 2.826 . 0 0 "[ . 1 . 2]" 1
9 1 11 ARG QB 1 11 ARG QD . . 3.310 2.204 2.032 2.636 . 0 0 "[ . 1 . 2]" 1
10 1 11 ARG QB 1 12 ARG H . . 4.350 3.092 2.011 4.038 . 0 0 "[ . 1 . 2]" 1
11 1 11 ARG QD 1 12 ARG H . . 5.350 4.071 2.607 5.350 . 0 0 "[ . 1 . 2]" 1
12 1 11 ARG QG 1 12 ARG H . . 4.700 3.551 2.121 4.698 . 0 0 "[ . 1 . 2]" 1
13 1 12 ARG H 1 12 ARG QB . . 3.320 2.510 2.172 2.897 . 0 0 "[ . 1 . 2]" 1
14 1 12 ARG H 1 12 ARG QD . . 5.500 4.414 2.017 5.322 . 0 0 "[ . 1 . 2]" 1
15 1 12 ARG H 1 12 ARG QG . . 4.400 3.628 2.723 4.259 . 0 0 "[ . 1 . 2]" 1
16 1 12 ARG HA 1 12 ARG QD . . 4.060 3.513 2.018 4.067 0.007 7 0 "[ . 1 . 2]" 1
17 1 12 ARG HA 1 12 ARG QG . . 3.720 2.368 2.185 2.759 . 0 0 "[ . 1 . 2]" 1
18 1 12 ARG HA 1 13 PRO HD2 . . 3.030 2.276 2.186 2.473 . 0 0 "[ . 1 . 2]" 1
19 1 12 ARG HA 1 13 PRO HD3 . . 3.080 2.269 2.252 2.330 . 0 0 "[ . 1 . 2]" 1
20 1 12 ARG HA 1 13 PRO QG . . 4.120 3.928 3.877 4.048 . 0 0 "[ . 1 . 2]" 1
21 1 12 ARG QB 1 12 ARG QD . . 3.440 2.232 2.056 2.492 . 0 0 "[ . 1 . 2]" 1
22 1 12 ARG QB 1 13 PRO HD2 . . 3.570 2.746 2.017 3.366 . 0 0 "[ . 1 . 2]" 1
23 1 12 ARG QB 1 13 PRO HD3 . . 4.350 3.849 3.385 4.205 . 0 0 "[ . 1 . 2]" 1
24 1 12 ARG HB2 1 13 PRO HD2 . . 4.070 3.787 3.553 3.995 . 0 0 "[ . 1 . 2]" 1
25 1 12 ARG HB2 1 13 PRO HD3 . . 5.200 4.744 4.493 4.925 . 0 0 "[ . 1 . 2]" 1
26 1 12 ARG HB3 1 13 PRO HD2 . . 4.070 2.947 2.027 3.968 . 0 0 "[ . 1 . 2]" 1
27 1 12 ARG HB3 1 13 PRO HD3 . . 5.200 4.168 3.471 4.899 . 0 0 "[ . 1 . 2]" 1
28 1 12 ARG QG 1 13 PRO HD2 . . 3.590 2.478 1.818 3.542 . 0 0 "[ . 1 . 2]" 1
29 1 12 ARG QG 1 13 PRO HD3 . . 4.390 3.550 3.112 4.365 . 0 0 "[ . 1 . 2]" 1
30 1 13 PRO HA 1 14 LEU H . . 2.900 2.338 2.187 2.563 . 0 0 "[ . 1 . 2]" 1
31 1 13 PRO HA 1 14 LEU QB . . 4.810 4.435 4.233 4.708 . 0 0 "[ . 1 . 2]" 1
32 1 13 PRO HA 1 14 LEU HG . . 5.260 4.619 3.498 5.261 0.001 12 0 "[ . 1 . 2]" 1
33 1 13 PRO HA 1 15 TRP H . . 4.860 4.524 4.156 4.842 . 0 0 "[ . 1 . 2]" 1
34 1 13 PRO QB 1 14 LEU H . . 3.600 2.704 2.199 3.119 . 0 0 "[ . 1 . 2]" 1
35 1 13 PRO QB 1 15 TRP H . . 4.320 3.344 2.566 3.941 . 0 0 "[ . 1 . 2]" 1
36 1 13 PRO HB2 1 14 LEU H . . 4.110 2.808 2.235 3.298 . 0 0 "[ . 1 . 2]" 1
37 1 13 PRO HB3 1 14 LEU H . . 4.110 3.565 3.276 3.847 . 0 0 "[ . 1 . 2]" 1
38 1 13 PRO QG 1 14 LEU H . . 4.650 4.279 3.888 4.561 . 0 0 "[ . 1 . 2]" 1
39 1 14 LEU H 1 14 LEU HB2 . . 3.730 2.485 2.164 3.618 . 0 0 "[ . 1 . 2]" 1
40 1 14 LEU H 1 14 LEU QB . . 3.070 2.420 2.143 3.038 . 0 0 "[ . 1 . 2]" 1
41 1 14 LEU H 1 14 LEU HB3 . . 3.730 3.588 3.265 3.732 0.002 1 0 "[ . 1 . 2]" 1
42 1 14 LEU H 1 14 LEU MD1 . . 4.700 2.977 1.894 4.265 . 0 0 "[ . 1 . 2]" 1
43 1 14 LEU H 1 14 LEU MD2 . . 4.700 3.512 1.816 4.373 . 0 0 "[ . 1 . 2]" 1
44 1 14 LEU H 1 14 LEU HG . . 4.010 3.233 2.163 3.991 . 0 0 "[ . 1 . 2]" 1
45 1 14 LEU H 1 15 TRP H . . 3.720 2.480 2.093 3.079 . 0 0 "[ . 1 . 2]" 1
46 1 14 LEU HA 1 14 LEU MD1 . . 4.070 3.309 2.032 4.103 0.033 5 0 "[ . 1 . 2]" 1
47 1 14 LEU HA 1 14 LEU QD . . 3.200 2.537 2.016 3.206 0.006 5 0 "[ . 1 . 2]" 1
48 1 14 LEU HA 1 14 LEU MD2 . . 4.070 2.976 2.091 3.649 . 0 0 "[ . 1 . 2]" 1
49 1 14 LEU HA 1 14 LEU HG . . 4.020 2.905 2.308 3.886 . 0 0 "[ . 1 . 2]" 1
50 1 14 LEU QB 1 15 TRP H . . 3.560 2.394 2.084 3.183 . 0 0 "[ . 1 . 2]" 1
51 1 14 LEU HB2 1 15 TRP H . . 4.060 2.462 2.123 3.339 . 0 0 "[ . 1 . 2]" 1
52 1 14 LEU HB3 1 15 TRP H . . 4.060 3.348 2.834 4.010 . 0 0 "[ . 1 . 2]" 1
53 1 14 LEU MD1 1 15 TRP H . . 4.840 4.005 3.357 4.632 . 0 0 "[ . 1 . 2]" 1
54 1 14 LEU MD2 1 15 TRP H . . 4.840 4.217 2.664 4.830 . 0 0 "[ . 1 . 2]" 1
55 1 15 TRP H 1 15 TRP HB2 . . 3.750 2.699 2.407 2.895 . 0 0 "[ . 1 . 2]" 1
56 1 15 TRP H 1 15 TRP QB . . 3.200 2.628 2.375 2.769 . 0 0 "[ . 1 . 2]" 1
57 1 15 TRP H 1 15 TRP HB3 . . 3.750 3.646 3.527 3.753 0.003 12 0 "[ . 1 . 2]" 1
58 1 15 TRP H 1 15 TRP HD1 . . 4.170 2.317 1.918 2.989 . 0 0 "[ . 1 . 2]" 1
59 1 15 TRP H 1 16 GLU H . . 4.640 4.211 2.475 4.583 . 0 0 "[ . 1 . 2]" 1
60 1 15 TRP H 1 21 VAL MG2 . . 5.390 4.324 2.906 4.892 . 0 0 "[ . 1 . 2]" 1
61 1 15 TRP QB 1 15 TRP HE3 . . 3.520 2.485 2.377 2.712 . 0 0 "[ . 1 . 2]" 1
62 1 15 TRP QB 1 16 GLU H . . 4.010 2.161 2.012 2.369 . 0 0 "[ . 1 . 2]" 1
63 1 15 TRP QB 1 19 GLU QB . . 3.960 3.719 3.487 3.956 . 0 0 "[ . 1 . 2]" 1
64 1 15 TRP HB2 1 15 TRP HE3 . . 4.190 4.002 3.573 4.187 . 0 0 "[ . 1 . 2]" 1
65 1 15 TRP HB2 1 16 GLU H . . 4.690 2.831 2.150 3.112 . 0 0 "[ . 1 . 2]" 1
66 1 15 TRP HB2 1 21 VAL MG2 . . 4.390 2.294 1.841 2.858 . 0 0 "[ . 1 . 2]" 1
67 1 15 TRP HB3 1 15 TRP HE3 . . 4.190 2.510 2.400 2.747 . 0 0 "[ . 1 . 2]" 1
68 1 15 TRP HB3 1 16 GLU H . . 4.690 2.343 2.039 3.152 . 0 0 "[ . 1 . 2]" 1
69 1 15 TRP HB3 1 21 VAL MG2 . . 4.390 2.417 1.971 3.119 . 0 0 "[ . 1 . 2]" 1
70 1 15 TRP HD1 1 16 GLU H . . 5.500 5.308 4.451 5.499 . 0 0 "[ . 1 . 2]" 1
71 1 15 TRP HD1 1 21 VAL MG1 . . 4.700 3.606 2.961 4.128 . 0 0 "[ . 1 . 2]" 1
72 1 15 TRP HD1 1 21 VAL MG2 . . 4.240 3.678 3.348 4.037 . 0 0 "[ . 1 . 2]" 1
73 1 15 TRP HD1 1 43 GLU QB . . 4.760 3.991 3.574 4.518 . 0 0 "[ . 1 . 2]" 1
74 1 15 TRP HE1 1 21 VAL MG1 . . 4.230 3.777 3.281 4.213 . 0 0 "[ . 1 . 2]" 1
75 1 15 TRP HE1 1 21 VAL MG2 . . 4.840 4.658 4.339 4.837 . 0 0 "[ . 1 . 2]" 1
76 1 15 TRP HE1 1 43 GLU QB . . 3.700 2.378 1.877 2.899 . 0 0 "[ . 1 . 2]" 1
77 1 15 TRP HE1 1 43 GLU QG . . 4.470 3.566 2.300 4.451 . 0 0 "[ . 1 . 2]" 1
78 1 15 TRP HE1 1 60 ARG QB . . 5.280 5.061 4.530 5.279 . 0 0 "[ . 1 . 2]" 1
79 1 15 TRP HE3 1 16 GLU H . . 5.500 4.276 3.707 5.385 . 0 0 "[ . 1 . 2]" 1
80 1 15 TRP HE3 1 21 VAL MG2 . . 4.200 3.300 2.641 3.647 . 0 0 "[ . 1 . 2]" 1
81 1 15 TRP HH2 1 21 VAL MG1 . . 5.500 5.212 4.852 5.484 . 0 0 "[ . 1 . 2]" 1
82 1 15 TRP HH2 1 43 GLU QB . . 4.610 4.393 4.143 4.610 . 0 0 "[ . 1 . 2]" 1
83 1 15 TRP HH2 1 45 CYS H . . 4.730 3.615 3.199 4.402 . 0 0 "[ . 1 . 2]" 1
84 1 15 TRP HH2 1 59 ASP HA . . 4.840 3.993 3.405 4.836 . 0 0 "[ . 1 . 2]" 1
85 1 15 TRP HH2 1 60 ARG H . . 4.770 3.425 2.741 3.853 . 0 0 "[ . 1 . 2]" 1
86 1 15 TRP HH2 1 60 ARG HA . . 4.260 2.619 2.004 3.043 . 0 0 "[ . 1 . 2]" 1
87 1 15 TRP HH2 1 60 ARG QB . . 4.670 2.806 2.225 3.179 . 0 0 "[ . 1 . 2]" 1
88 1 15 TRP HH2 1 60 ARG QG . . 5.010 4.391 3.149 4.962 . 0 0 "[ . 1 . 2]" 1
89 1 15 TRP HZ2 1 21 VAL MG1 . . 4.920 4.514 4.244 4.853 . 0 0 "[ . 1 . 2]" 1
90 1 15 TRP HZ2 1 43 GLU QB . . 4.040 2.694 2.377 2.937 . 0 0 "[ . 1 . 2]" 1
91 1 15 TRP HZ2 1 44 TYR H . . 5.500 4.961 4.585 5.286 . 0 0 "[ . 1 . 2]" 1
92 1 15 TRP HZ2 1 45 CYS H . . 5.350 5.217 4.912 5.349 . 0 0 "[ . 1 . 2]" 1
93 1 15 TRP HZ2 1 60 ARG H . . 5.500 4.464 3.716 4.827 . 0 0 "[ . 1 . 2]" 1
94 1 15 TRP HZ2 1 60 ARG HA . . 4.410 4.226 3.813 4.399 . 0 0 "[ . 1 . 2]" 1
95 1 15 TRP HZ2 1 60 ARG QB . . 4.650 2.820 2.453 3.101 . 0 0 "[ . 1 . 2]" 1
96 1 15 TRP HZ2 1 60 ARG QD . . 4.560 3.874 3.008 4.524 . 0 0 "[ . 1 . 2]" 1
97 1 15 TRP HZ2 1 60 ARG QG . . 4.950 4.582 4.111 4.918 . 0 0 "[ . 1 . 2]" 1
98 1 15 TRP HZ3 1 21 VAL MG1 . . 5.500 5.187 4.740 5.495 . 0 0 "[ . 1 . 2]" 1
99 1 15 TRP HZ3 1 21 VAL MG2 . . 4.960 4.711 4.069 4.953 . 0 0 "[ . 1 . 2]" 1
100 1 15 TRP HZ3 1 43 GLU QB . . 5.500 5.412 5.212 5.499 . 0 0 "[ . 1 . 2]" 1
101 1 15 TRP HZ3 1 45 CYS H . . 4.710 3.293 2.173 4.665 . 0 0 "[ . 1 . 2]" 1
102 1 15 TRP HZ3 1 60 ARG QB . . 5.080 4.744 4.136 5.076 . 0 0 "[ . 1 . 2]" 1
103 1 16 GLU H 1 16 GLU QB . . 3.560 2.431 2.236 2.864 . 0 0 "[ . 1 . 2]" 1
104 1 16 GLU H 1 16 GLU HG2 . . 4.490 4.069 3.188 4.470 . 0 0 "[ . 1 . 2]" 1
105 1 16 GLU H 1 16 GLU QG . . 3.860 3.215 2.690 3.802 . 0 0 "[ . 1 . 2]" 1
106 1 16 GLU H 1 16 GLU HG3 . . 4.490 3.484 2.737 4.363 . 0 0 "[ . 1 . 2]" 1
107 1 16 GLU H 1 19 GLU QB . . 4.840 3.196 2.461 4.027 . 0 0 "[ . 1 . 2]" 1
108 1 16 GLU H 1 19 GLU QG . . 5.210 4.069 2.261 4.694 . 0 0 "[ . 1 . 2]" 1
109 1 16 GLU HA 1 16 GLU HG2 . . 4.030 2.569 2.185 3.575 . 0 0 "[ . 1 . 2]" 1
110 1 16 GLU HA 1 16 GLU HG3 . . 4.030 2.959 2.258 3.664 . 0 0 "[ . 1 . 2]" 1
111 1 16 GLU HA 1 17 PRO HD2 . . 3.090 2.352 2.258 2.492 . 0 0 "[ . 1 . 2]" 1
112 1 16 GLU HA 1 17 PRO HD3 . . 2.920 2.285 2.258 2.338 . 0 0 "[ . 1 . 2]" 1
113 1 16 GLU HA 1 17 PRO QG . . 4.430 3.972 3.915 4.061 . 0 0 "[ . 1 . 2]" 1
114 1 16 GLU QB 1 17 PRO HD2 . . 3.160 2.245 1.994 2.493 . 0 0 "[ . 1 . 2]" 1
115 1 16 GLU QB 1 17 PRO HD3 . . 4.040 3.558 3.366 3.734 . 0 0 "[ . 1 . 2]" 1
116 1 16 GLU QB 1 18 GLU H . . 3.520 2.624 2.222 3.141 . 0 0 "[ . 1 . 2]" 1
117 1 16 GLU QB 1 19 GLU H . . 3.520 2.798 2.282 3.519 . 0 0 "[ . 1 . 2]" 1
118 1 16 GLU HB2 1 17 PRO HD2 . . 3.950 3.792 3.598 3.945 . 0 0 "[ . 1 . 2]" 1
119 1 16 GLU HB3 1 17 PRO HD2 . . 3.950 2.262 2.004 2.520 . 0 0 "[ . 1 . 2]" 1
120 1 16 GLU QG 1 17 PRO HD3 . . 4.550 3.760 3.498 4.251 . 0 0 "[ . 1 . 2]" 1
121 1 16 GLU HG2 1 17 PRO HD2 . . 4.780 3.105 2.678 3.929 . 0 0 "[ . 1 . 2]" 1
122 1 16 GLU HG2 1 17 PRO HD3 . . 5.280 4.039 3.572 5.106 . 0 0 "[ . 1 . 2]" 1
123 1 16 GLU HG3 1 17 PRO HD2 . . 4.780 4.007 2.818 4.398 . 0 0 "[ . 1 . 2]" 1
124 1 16 GLU HG3 1 17 PRO HD3 . . 5.280 4.838 3.592 5.231 . 0 0 "[ . 1 . 2]" 1
125 1 17 PRO HA 1 19 GLU H . . 4.700 4.374 3.713 4.681 . 0 0 "[ . 1 . 2]" 1
126 1 17 PRO QB 1 18 GLU H . . 3.990 3.206 2.808 3.694 . 0 0 "[ . 1 . 2]" 1
127 1 17 PRO HD2 1 18 GLU H . . 4.220 2.746 2.648 2.982 . 0 0 "[ . 1 . 2]" 1
128 1 17 PRO HD3 1 18 GLU H . . 4.840 3.885 3.836 4.019 . 0 0 "[ . 1 . 2]" 1
129 1 17 PRO QG 1 18 GLU H . . 3.840 2.416 1.897 3.212 . 0 0 "[ . 1 . 2]" 1
130 1 18 GLU H 1 18 GLU HB2 . . 3.930 3.067 2.245 3.754 . 0 0 "[ . 1 . 2]" 1
131 1 18 GLU H 1 18 GLU QB . . 3.380 2.483 2.167 2.848 . 0 0 "[ . 1 . 2]" 1
132 1 18 GLU H 1 18 GLU HB3 . . 3.930 2.792 2.427 3.600 . 0 0 "[ . 1 . 2]" 1
133 1 18 GLU H 1 18 GLU QG . . 4.050 2.864 1.859 4.020 . 0 0 "[ . 1 . 2]" 1
134 1 18 GLU H 1 19 GLU H . . 3.480 2.599 2.208 3.094 . 0 0 "[ . 1 . 2]" 1
135 1 18 GLU HA 1 18 GLU QG . . 3.390 2.938 2.197 3.436 0.046 12 0 "[ . 1 . 2]" 1
136 1 18 GLU HA 1 19 GLU H . . 3.540 3.406 2.715 3.550 0.010 17 0 "[ . 1 . 2]" 1
137 1 18 GLU HB2 1 19 GLU H . . 4.690 3.772 2.588 4.498 . 0 0 "[ . 1 . 2]" 1
138 1 18 GLU HB3 1 19 GLU H . . 4.690 3.504 2.557 4.657 . 0 0 "[ . 1 . 2]" 1
139 1 18 GLU QG 1 19 GLU H . . 4.090 3.298 1.935 4.085 . 0 0 "[ . 1 . 2]" 1
140 1 19 GLU H 1 19 GLU QB . . 3.140 2.404 2.165 2.769 . 0 0 "[ . 1 . 2]" 1
141 1 19 GLU H 1 19 GLU QG . . 3.600 2.698 1.840 3.586 . 0 0 "[ . 1 . 2]" 1
142 1 19 GLU H 1 20 THR H . . 4.740 4.549 4.219 4.644 . 0 0 "[ . 1 . 2]" 1
143 1 19 GLU HA 1 20 THR H . . 2.930 2.239 2.137 2.417 . 0 0 "[ . 1 . 2]" 1
144 1 19 GLU QB 1 20 THR H . . 3.440 2.873 2.357 3.355 . 0 0 "[ . 1 . 2]" 1
145 1 19 GLU QB 1 21 VAL MG2 . . 4.410 3.067 2.731 3.376 . 0 0 "[ . 1 . 2]" 1
146 1 20 THR H 1 20 THR HB . . 3.280 2.556 2.423 2.687 . 0 0 "[ . 1 . 2]" 1
147 1 20 THR H 1 20 THR MG . . 4.030 3.783 3.752 3.820 . 0 0 "[ . 1 . 2]" 1
148 1 20 THR H 1 21 VAL H . . 4.520 4.311 4.087 4.506 . 0 0 "[ . 1 . 2]" 1
149 1 20 THR H 1 46 LEU QB . . 4.950 4.164 3.565 4.933 . 0 0 "[ . 1 . 2]" 1
150 1 20 THR HA 1 20 THR MG . . 3.100 2.336 2.197 2.462 . 0 0 "[ . 1 . 2]" 1
151 1 20 THR HA 1 21 VAL H . . 2.980 2.169 2.142 2.231 . 0 0 "[ . 1 . 2]" 1
152 1 20 THR HA 1 21 VAL HB . . 4.980 4.634 4.544 4.712 . 0 0 "[ . 1 . 2]" 1
153 1 20 THR HA 1 21 VAL MG2 . . 4.160 3.941 3.719 4.131 . 0 0 "[ . 1 . 2]" 1
154 1 20 THR HA 1 46 LEU QB . . 5.330 4.786 4.426 5.182 . 0 0 "[ . 1 . 2]" 1
155 1 20 THR HB 1 21 VAL H . . 4.440 4.365 4.197 4.442 0.002 14 0 "[ . 1 . 2]" 1
156 1 20 THR HB 1 46 LEU H . . 4.190 3.681 3.042 4.163 . 0 0 "[ . 1 . 2]" 1
157 1 20 THR HB 1 46 LEU QB . . 3.400 2.355 1.983 2.817 . 0 0 "[ . 1 . 2]" 1
158 1 20 THR HB 1 46 LEU QD . . 3.630 2.858 2.363 3.446 . 0 0 "[ . 1 . 2]" 1
159 1 20 THR HB 1 46 LEU HG . . 5.010 4.472 3.893 4.979 . 0 0 "[ . 1 . 2]" 1
160 1 20 THR MG 1 21 VAL H . . 3.450 3.028 2.643 3.418 . 0 0 "[ . 1 . 2]" 1
161 1 20 THR MG 1 46 LEU H . . 4.110 3.925 3.567 4.095 . 0 0 "[ . 1 . 2]" 1
162 1 20 THR MG 1 46 LEU QB . . 3.430 2.656 2.338 2.962 . 0 0 "[ . 1 . 2]" 1
163 1 20 THR MG 1 46 LEU QD . . 3.020 2.253 1.912 2.802 . 0 0 "[ . 1 . 2]" 1
164 1 20 THR MG 1 74 GLU HA . . 4.450 3.991 3.583 4.244 . 0 0 "[ . 1 . 2]" 1
165 1 20 THR MG 1 74 GLU HG2 . . 3.860 3.637 3.208 3.860 0.000 16 0 "[ . 1 . 2]" 1
166 1 20 THR MG 1 74 GLU QG . . 3.390 2.937 2.575 3.274 . 0 0 "[ . 1 . 2]" 1
167 1 20 THR MG 1 74 GLU HG3 . . 3.860 3.106 2.697 3.539 . 0 0 "[ . 1 . 2]" 1
168 1 21 VAL H 1 21 VAL HB . . 3.280 2.520 2.416 2.629 . 0 0 "[ . 1 . 2]" 1
169 1 21 VAL H 1 21 VAL MG1 . . 4.240 3.795 3.750 3.840 . 0 0 "[ . 1 . 2]" 1
170 1 21 VAL H 1 21 VAL MG2 . . 3.440 2.686 2.475 3.017 . 0 0 "[ . 1 . 2]" 1
171 1 21 VAL H 1 22 VAL H . . 4.870 4.448 4.315 4.542 . 0 0 "[ . 1 . 2]" 1
172 1 21 VAL HA 1 21 VAL MG1 . . 3.480 2.419 2.327 2.470 . 0 0 "[ . 1 . 2]" 1
173 1 21 VAL HA 1 21 VAL MG2 . . 3.370 2.297 2.180 2.427 . 0 0 "[ . 1 . 2]" 1
174 1 21 VAL HA 1 22 VAL H . . 3.060 2.168 2.140 2.230 . 0 0 "[ . 1 . 2]" 1
175 1 21 VAL HA 1 22 VAL MG1 . . 4.670 3.991 3.717 4.253 . 0 0 "[ . 1 . 2]" 1
176 1 21 VAL HA 1 22 VAL MG2 . . 3.950 3.449 3.304 3.660 . 0 0 "[ . 1 . 2]" 1
177 1 21 VAL HA 1 45 CYS HA . . 4.130 2.769 2.444 3.111 . 0 0 "[ . 1 . 2]" 1
178 1 21 VAL HA 1 46 LEU H . . 3.910 3.376 2.914 3.717 . 0 0 "[ . 1 . 2]" 1
179 1 21 VAL HB 1 22 VAL H . . 4.320 4.168 3.936 4.322 0.002 14 0 "[ . 1 . 2]" 1
180 1 21 VAL MG1 1 22 VAL H . . 3.450 2.391 1.883 2.676 . 0 0 "[ . 1 . 2]" 1
181 1 21 VAL MG1 1 43 GLU HA . . 4.070 3.329 3.143 3.592 . 0 0 "[ . 1 . 2]" 1
182 1 21 VAL MG1 1 43 GLU QB . . 3.260 2.017 1.803 2.387 . 0 0 "[ . 1 . 2]" 1
183 1 21 VAL MG1 1 43 GLU HG2 . . 4.170 2.496 1.934 2.931 . 0 0 "[ . 1 . 2]" 1
184 1 21 VAL MG1 1 43 GLU QG . . 3.490 2.435 1.922 2.817 . 0 0 "[ . 1 . 2]" 1
185 1 21 VAL MG1 1 43 GLU HG3 . . 4.170 3.533 3.125 3.966 . 0 0 "[ . 1 . 2]" 1
186 1 21 VAL MG1 1 44 TYR H . . 3.620 2.483 2.012 2.917 . 0 0 "[ . 1 . 2]" 1
187 1 21 VAL MG1 1 45 CYS H . . 5.440 4.661 4.115 5.282 . 0 0 "[ . 1 . 2]" 1
188 1 21 VAL MG1 1 45 CYS HA . . 4.850 3.892 3.383 4.440 . 0 0 "[ . 1 . 2]" 1
189 1 21 VAL MG1 1 75 LYS QB . . 3.610 3.037 2.404 3.596 . 0 0 "[ . 1 . 2]" 1
190 1 21 VAL MG1 1 75 LYS QD . . 3.470 3.001 2.452 3.465 . 0 0 "[ . 1 . 2]" 1
191 1 21 VAL MG1 1 75 LYS QE . . 4.630 4.108 2.578 4.630 0.000 14 0 "[ . 1 . 2]" 1
192 1 21 VAL MG2 1 22 VAL H . . 4.110 3.943 3.775 4.067 . 0 0 "[ . 1 . 2]" 1
193 1 21 VAL MG2 1 45 CYS HA . . 4.600 3.199 2.742 3.828 . 0 0 "[ . 1 . 2]" 1
194 1 22 VAL H 1 22 VAL MG1 . . 3.770 3.103 2.855 3.256 . 0 0 "[ . 1 . 2]" 1
195 1 22 VAL H 1 22 VAL MG2 . . 2.990 2.010 1.893 2.138 . 0 0 "[ . 1 . 2]" 1
196 1 22 VAL H 1 23 ILE H . . 4.820 4.477 4.340 4.519 . 0 0 "[ . 1 . 2]" 1
197 1 22 VAL H 1 43 GLU QB . . 4.790 4.260 3.841 4.788 . 0 0 "[ . 1 . 2]" 1
198 1 22 VAL H 1 44 TYR HB2 . . 4.700 3.857 3.477 4.092 . 0 0 "[ . 1 . 2]" 1
199 1 22 VAL H 1 44 TYR QD . . 5.410 5.130 4.813 5.367 . 0 0 "[ . 1 . 2]" 1
200 1 22 VAL H 1 45 CYS HA . . 4.210 3.760 3.485 3.941 . 0 0 "[ . 1 . 2]" 1
201 1 22 VAL H 1 46 LEU H . . 4.550 4.109 3.542 4.499 . 0 0 "[ . 1 . 2]" 1
202 1 22 VAL H 1 72 LEU MD2 . . 5.090 4.578 4.331 4.966 . 0 0 "[ . 1 . 2]" 1
203 1 22 VAL HA 1 22 VAL MG1 . . 3.060 2.245 2.157 2.358 . 0 0 "[ . 1 . 2]" 1
204 1 22 VAL HA 1 23 ILE H . . 3.190 2.365 2.199 2.535 . 0 0 "[ . 1 . 2]" 1
205 1 22 VAL HA 1 23 ILE HB . . 5.260 4.747 4.657 4.863 . 0 0 "[ . 1 . 2]" 1
206 1 22 VAL HA 1 23 ILE QG . . 4.810 3.502 3.087 3.934 . 0 0 "[ . 1 . 2]" 1
207 1 22 VAL HA 1 74 GLU H . . 4.980 4.857 4.621 4.977 . 0 0 "[ . 1 . 2]" 1
208 1 22 VAL HA 1 74 GLU HA . . 3.460 3.034 2.791 3.314 . 0 0 "[ . 1 . 2]" 1
209 1 22 VAL HA 1 75 LYS H . . 3.540 2.654 2.343 2.888 . 0 0 "[ . 1 . 2]" 1
210 1 22 VAL HA 1 75 LYS HB2 . . 5.250 3.603 2.451 4.107 . 0 0 "[ . 1 . 2]" 1
211 1 22 VAL HA 1 75 LYS QB . . 4.450 3.477 2.426 3.938 . 0 0 "[ . 1 . 2]" 1
212 1 22 VAL HA 1 75 LYS HB3 . . 5.250 4.626 3.897 5.198 . 0 0 "[ . 1 . 2]" 1
213 1 22 VAL HA 1 75 LYS QD . . 5.500 5.035 4.517 5.488 . 0 0 "[ . 1 . 2]" 1
214 1 22 VAL HB 1 23 ILE H . . 3.500 2.506 2.119 3.001 . 0 0 "[ . 1 . 2]" 1
215 1 22 VAL HB 1 72 LEU H . . 5.500 5.432 5.292 5.499 . 0 0 "[ . 1 . 2]" 1
216 1 22 VAL HB 1 72 LEU HA . . 4.640 3.241 3.038 3.389 . 0 0 "[ . 1 . 2]" 1
217 1 22 VAL HB 1 72 LEU HB2 . . 4.240 3.902 3.700 4.065 . 0 0 "[ . 1 . 2]" 1
218 1 22 VAL HB 1 72 LEU HB3 . . 3.760 2.187 2.021 2.356 . 0 0 "[ . 1 . 2]" 1
219 1 22 VAL HB 1 72 LEU MD1 . . 3.790 3.624 3.348 3.776 . 0 0 "[ . 1 . 2]" 1
220 1 22 VAL HB 1 72 LEU MD2 . . 3.510 2.655 2.285 3.096 . 0 0 "[ . 1 . 2]" 1
221 1 22 VAL HB 1 73 VAL H . . 4.070 2.397 2.104 2.617 . 0 0 "[ . 1 . 2]" 1
222 1 22 VAL HB 1 74 GLU HA . . 4.630 4.332 4.063 4.548 . 0 0 "[ . 1 . 2]" 1
223 1 22 VAL MG1 1 23 ILE H . . 3.740 3.426 3.115 3.647 . 0 0 "[ . 1 . 2]" 1
224 1 22 VAL MG1 1 46 LEU HA . . 5.100 5.007 4.832 5.100 . 18 0 "[ . 1 . 2]" 1
225 1 22 VAL MG1 1 46 LEU HB2 . . 4.990 3.304 3.064 3.490 . 0 0 "[ . 1 . 2]" 1
226 1 22 VAL MG1 1 46 LEU HB3 . . 4.990 4.396 4.027 4.756 . 0 0 "[ . 1 . 2]" 1
227 1 22 VAL MG1 1 46 LEU QD . . 3.490 3.137 2.472 3.393 . 0 0 "[ . 1 . 2]" 1
228 1 22 VAL MG1 1 55 TRP HE3 . . 4.110 3.416 3.099 3.724 . 0 0 "[ . 1 . 2]" 1
229 1 22 VAL MG1 1 55 TRP HH2 . . 4.850 4.612 4.217 4.814 . 0 0 "[ . 1 . 2]" 1
230 1 22 VAL MG1 1 55 TRP HZ3 . . 3.680 2.726 2.298 2.964 . 0 0 "[ . 1 . 2]" 1
231 1 22 VAL MG1 1 73 VAL HA . . 4.930 3.772 3.446 4.086 . 0 0 "[ . 1 . 2]" 1
232 1 22 VAL MG1 1 74 GLU H . . 3.880 3.435 3.228 3.662 . 0 0 "[ . 1 . 2]" 1
233 1 22 VAL MG1 1 74 GLU HA . . 3.030 2.207 1.952 2.414 . 0 0 "[ . 1 . 2]" 1
234 1 22 VAL MG1 1 74 GLU HB2 . . 3.760 3.662 3.522 3.758 . 0 0 "[ . 1 . 2]" 1
235 1 22 VAL MG1 1 74 GLU HB3 . . 4.820 4.597 4.477 4.774 . 0 0 "[ . 1 . 2]" 1
236 1 22 VAL MG1 1 74 GLU HG2 . . 4.180 4.021 3.871 4.166 . 0 0 "[ . 1 . 2]" 1
237 1 22 VAL MG1 1 74 GLU QG . . 3.610 3.359 3.222 3.489 . 0 0 "[ . 1 . 2]" 1
238 1 22 VAL MG1 1 74 GLU HG3 . . 4.180 3.605 3.442 3.879 . 0 0 "[ . 1 . 2]" 1
239 1 22 VAL MG1 1 75 LYS H . . 3.690 3.344 2.688 3.628 . 0 0 "[ . 1 . 2]" 1
240 1 22 VAL MG2 1 23 ILE H . . 4.080 3.731 3.396 4.016 . 0 0 "[ . 1 . 2]" 1
241 1 22 VAL MG2 1 44 TYR HB2 . . 3.190 2.290 2.023 2.488 . 0 0 "[ . 1 . 2]" 1
242 1 22 VAL MG2 1 44 TYR HB3 . . 3.620 3.359 3.010 3.556 . 0 0 "[ . 1 . 2]" 1
243 1 22 VAL MG2 1 44 TYR QD . . 4.060 3.804 3.556 4.052 . 0 0 "[ . 1 . 2]" 1
244 1 22 VAL MG2 1 45 CYS H . . 5.500 4.612 4.413 4.902 . 0 0 "[ . 1 . 2]" 1
245 1 22 VAL MG2 1 45 CYS HA . . 4.450 3.978 3.611 4.273 . 0 0 "[ . 1 . 2]" 1
246 1 22 VAL MG2 1 46 LEU H . . 3.950 3.513 3.018 3.823 . 0 0 "[ . 1 . 2]" 1
247 1 22 VAL MG2 1 46 LEU HA . . 4.230 3.743 3.527 3.956 . 0 0 "[ . 1 . 2]" 1
248 1 22 VAL MG2 1 46 LEU QB . . 3.990 2.849 2.379 3.225 . 0 0 "[ . 1 . 2]" 1
249 1 22 VAL MG2 1 46 LEU QD . . 4.290 3.198 2.685 3.615 . 0 0 "[ . 1 . 2]" 1
250 1 22 VAL MG2 1 55 TRP HE3 . . 4.710 3.697 3.332 3.964 . 0 0 "[ . 1 . 2]" 1
251 1 22 VAL MG2 1 72 LEU HA . . 4.530 3.919 3.656 4.218 . 0 0 "[ . 1 . 2]" 1
252 1 22 VAL MG2 1 72 LEU HB2 . . 4.410 3.799 3.527 4.045 . 0 0 "[ . 1 . 2]" 1
253 1 23 ILE H 1 23 ILE HB . . 3.460 2.798 2.669 2.914 . 0 0 "[ . 1 . 2]" 1
254 1 23 ILE H 1 23 ILE MD . . 4.240 2.961 1.884 4.090 . 0 0 "[ . 1 . 2]" 1
255 1 23 ILE H 1 23 ILE HG12 . . 4.410 4.128 3.872 4.327 . 0 0 "[ . 1 . 2]" 1
256 1 23 ILE H 1 23 ILE QG . . 3.650 2.913 2.545 3.288 . 0 0 "[ . 1 . 2]" 1
257 1 23 ILE H 1 23 ILE HG13 . . 4.410 2.985 2.576 3.407 . 0 0 "[ . 1 . 2]" 1
258 1 23 ILE H 1 23 ILE MG . . 4.060 3.912 3.851 3.959 . 0 0 "[ . 1 . 2]" 1
259 1 23 ILE H 1 24 ALA H . . 4.830 4.443 4.336 4.532 . 0 0 "[ . 1 . 2]" 1
260 1 23 ILE H 1 72 LEU HA . . 4.200 3.740 3.386 4.198 . 0 0 "[ . 1 . 2]" 1
261 1 23 ILE H 1 72 LEU MD2 . . 4.440 3.856 3.424 4.282 . 0 0 "[ . 1 . 2]" 1
262 1 23 ILE H 1 73 VAL H . . 3.470 2.079 1.809 2.588 . 0 0 "[ . 1 . 2]" 1
263 1 23 ILE H 1 73 VAL QG . . 4.070 2.219 2.083 2.493 . 0 0 "[ . 1 . 2]" 1
264 1 23 ILE H 1 74 GLU HA . . 4.720 4.439 4.202 4.710 . 0 0 "[ . 1 . 2]" 1
265 1 23 ILE H 1 75 LYS H . . 4.780 4.172 3.941 4.566 . 0 0 "[ . 1 . 2]" 1
266 1 23 ILE HA 1 23 ILE MD . . 4.120 3.700 3.401 3.952 . 0 0 "[ . 1 . 2]" 1
267 1 23 ILE HA 1 23 ILE QG . . 3.670 2.504 2.426 2.580 . 0 0 "[ . 1 . 2]" 1
268 1 23 ILE HA 1 23 ILE MG . . 3.120 2.258 2.141 2.396 . 0 0 "[ . 1 . 2]" 1
269 1 23 ILE HA 1 24 ALA H . . 2.930 2.244 2.209 2.308 . 0 0 "[ . 1 . 2]" 1
270 1 23 ILE HA 1 24 ALA MB . . 4.650 3.946 3.896 3.984 . 0 0 "[ . 1 . 2]" 1
271 1 23 ILE HA 1 44 TYR H . . 4.750 3.699 3.536 3.901 . 0 0 "[ . 1 . 2]" 1
272 1 23 ILE HA 1 44 TYR QD . . 4.330 3.157 2.938 3.346 . 0 0 "[ . 1 . 2]" 1
273 1 23 ILE HB 1 23 ILE MD . . 3.160 2.191 2.085 2.306 . 0 0 "[ . 1 . 2]" 1
274 1 23 ILE HB 1 24 ALA H . . 4.360 3.778 3.612 3.880 . 0 0 "[ . 1 . 2]" 1
275 1 23 ILE HB 1 73 VAL H . . 4.410 3.927 3.782 4.123 . 0 0 "[ . 1 . 2]" 1
276 1 23 ILE HB 1 73 VAL MG1 . . 3.880 3.728 3.498 3.864 . 0 0 "[ . 1 . 2]" 1
277 1 23 ILE HB 1 73 VAL QG . . 3.230 2.071 1.935 2.276 . 0 0 "[ . 1 . 2]" 1
278 1 23 ILE HB 1 73 VAL MG2 . . 3.880 2.082 1.942 2.296 . 0 0 "[ . 1 . 2]" 1
279 1 23 ILE MD 1 24 ALA H . . 5.150 4.959 4.889 5.075 . 0 0 "[ . 1 . 2]" 1
280 1 23 ILE MD 1 43 GLU HA . . 4.530 4.157 3.959 4.426 . 0 0 "[ . 1 . 2]" 1
281 1 23 ILE MD 1 43 GLU HG2 . . 4.120 3.587 2.845 4.111 . 0 0 "[ . 1 . 2]" 1
282 1 23 ILE MD 1 43 GLU QG . . 3.490 3.081 2.637 3.384 . 0 0 "[ . 1 . 2]" 1
283 1 23 ILE MD 1 43 GLU HG3 . . 4.120 3.469 2.804 4.110 . 0 0 "[ . 1 . 2]" 1
284 1 23 ILE MD 1 44 TYR H . . 5.500 5.130 4.707 5.495 . 0 0 "[ . 1 . 2]" 1
285 1 23 ILE MD 1 75 LYS H . . 4.700 3.447 2.475 4.293 . 0 0 "[ . 1 . 2]" 1
286 1 23 ILE MD 1 75 LYS HA . . 3.480 2.455 1.905 2.991 . 0 0 "[ . 1 . 2]" 1
287 1 23 ILE MD 1 75 LYS HB2 . . 4.340 2.388 1.784 3.029 . 0 0 "[ . 1 . 2]" 1
288 1 23 ILE MD 1 75 LYS QB . . 3.690 2.362 1.775 2.972 . 0 0 "[ . 1 . 2]" 1
289 1 23 ILE MD 1 75 LYS HB3 . . 4.340 3.792 3.158 4.319 . 0 0 "[ . 1 . 2]" 1
290 1 23 ILE MD 1 75 LYS QD . . 3.520 2.347 1.796 3.526 0.006 16 0 "[ . 1 . 2]" 1
291 1 23 ILE MD 1 75 LYS QE . . 4.070 3.478 2.313 4.057 . 0 0 "[ . 1 . 2]" 1
292 1 23 ILE MD 1 75 LYS QG . . 3.660 2.850 1.799 3.659 . 0 0 "[ . 1 . 2]" 1
293 1 23 ILE MD 1 76 SER H . . 4.400 3.892 3.150 4.374 . 0 0 "[ . 1 . 2]" 1
294 1 23 ILE QG 1 23 ILE MG . . 3.210 2.094 1.957 2.269 . 0 0 "[ . 1 . 2]" 1
295 1 23 ILE QG 1 24 ALA H . . 4.370 4.152 4.047 4.290 . 0 0 "[ . 1 . 2]" 1
296 1 23 ILE QG 1 43 GLU QG . . 3.430 2.081 1.911 2.591 . 0 0 "[ . 1 . 2]" 1
297 1 23 ILE QG 1 75 LYS H . . 5.340 4.404 3.726 5.123 . 0 0 "[ . 1 . 2]" 1
298 1 23 ILE QG 1 75 LYS HA . . 4.280 4.047 3.514 4.279 . 0 0 "[ . 1 . 2]" 1
299 1 23 ILE QG 1 75 LYS QB . . 4.590 3.318 2.699 3.862 . 0 0 "[ . 1 . 2]" 1
300 1 23 ILE HG12 1 24 ALA H . . 5.180 4.715 4.350 5.125 . 0 0 "[ . 1 . 2]" 1
301 1 23 ILE HG12 1 43 GLU HA . . 4.560 3.286 2.395 4.219 . 0 0 "[ . 1 . 2]" 1
302 1 23 ILE HG12 1 43 GLU HG2 . . 4.770 3.197 2.126 4.001 . 0 0 "[ . 1 . 2]" 1
303 1 23 ILE HG12 1 43 GLU HG3 . . 4.770 2.580 2.011 3.282 . 0 0 "[ . 1 . 2]" 1
304 1 23 ILE HG13 1 24 ALA H . . 5.180 4.684 4.414 4.975 . 0 0 "[ . 1 . 2]" 1
305 1 23 ILE HG13 1 43 GLU HA . . 4.560 3.002 2.411 3.559 . 0 0 "[ . 1 . 2]" 1
306 1 23 ILE HG13 1 43 GLU HG2 . . 4.770 3.260 2.108 4.652 . 0 0 "[ . 1 . 2]" 1
307 1 23 ILE HG13 1 43 GLU HG3 . . 4.770 3.082 2.030 4.640 . 0 0 "[ . 1 . 2]" 1
308 1 23 ILE MG 1 24 ALA H . . 3.200 1.995 1.889 2.250 . 0 0 "[ . 1 . 2]" 1
309 1 23 ILE MG 1 24 ALA HA . . 4.950 4.005 3.839 4.148 . 0 0 "[ . 1 . 2]" 1
310 1 23 ILE MG 1 24 ALA MB . . 3.650 3.518 3.439 3.614 . 0 0 "[ . 1 . 2]" 1
311 1 23 ILE MG 1 25 LEU HA . . 4.430 4.172 3.877 4.408 . 0 0 "[ . 1 . 2]" 1
312 1 23 ILE MG 1 40 ARG HA . . 4.990 4.864 4.649 4.990 . 0 0 "[ . 1 . 2]" 1
313 1 23 ILE MG 1 41 ASN H . . 3.580 3.451 3.235 3.562 . 0 0 "[ . 1 . 2]" 1
314 1 23 ILE MG 1 41 ASN HA . . 2.930 2.705 2.216 2.842 . 0 0 "[ . 1 . 2]" 1
315 1 23 ILE MG 1 41 ASN QB . . 4.290 4.148 3.571 4.290 0.000 17 0 "[ . 1 . 2]" 1
316 1 23 ILE MG 1 42 GLU H . . 4.230 2.402 2.197 2.826 . 0 0 "[ . 1 . 2]" 1
317 1 23 ILE MG 1 42 GLU HA . . 4.650 3.721 3.471 3.982 . 0 0 "[ . 1 . 2]" 1
318 1 23 ILE MG 1 43 GLU H . . 4.520 3.923 3.491 4.213 . 0 0 "[ . 1 . 2]" 1
319 1 23 ILE MG 1 43 GLU HA . . 4.840 3.211 2.860 3.427 . 0 0 "[ . 1 . 2]" 1
320 1 23 ILE MG 1 43 GLU HG2 . . 4.500 4.256 3.911 4.500 . 3 0 "[ . 1 . 2]" 1
321 1 23 ILE MG 1 43 GLU QG . . 3.860 3.084 2.504 3.626 . 0 0 "[ . 1 . 2]" 1
322 1 23 ILE MG 1 43 GLU HG3 . . 4.500 3.199 2.529 3.891 . 0 0 "[ . 1 . 2]" 1
323 1 23 ILE MG 1 44 TYR QD . . 4.840 4.251 3.968 4.503 . 0 0 "[ . 1 . 2]" 1
324 1 23 ILE MG 1 44 TYR QE . . 4.710 4.537 4.290 4.711 0.001 16 0 "[ . 1 . 2]" 1
325 1 23 ILE MG 1 73 VAL H . . 4.960 4.797 4.649 4.947 . 0 0 "[ . 1 . 2]" 1
326 1 24 ALA H 1 24 ALA MB . . 3.070 2.266 2.111 2.357 . 0 0 "[ . 1 . 2]" 1
327 1 24 ALA H 1 25 LEU H . . 5.150 4.483 4.320 4.589 . 0 0 "[ . 1 . 2]" 1
328 1 24 ALA H 1 41 ASN H . . 4.530 4.235 3.940 4.455 . 0 0 "[ . 1 . 2]" 1
329 1 24 ALA H 1 41 ASN HA . . 4.720 4.616 4.207 4.721 0.001 17 0 "[ . 1 . 2]" 1
330 1 24 ALA H 1 42 GLU H . . 4.470 2.849 2.656 3.103 . 0 0 "[ . 1 . 2]" 1
331 1 24 ALA H 1 44 TYR QD . . 4.120 3.462 3.175 3.774 . 0 0 "[ . 1 . 2]" 1
332 1 24 ALA H 1 44 TYR QE . . 4.110 3.694 3.412 4.018 . 0 0 "[ . 1 . 2]" 1
333 1 24 ALA H 1 72 LEU MD2 . . 4.330 3.874 3.581 4.212 . 0 0 "[ . 1 . 2]" 1
334 1 24 ALA HA 1 25 LEU H . . 3.070 2.163 2.141 2.260 . 0 0 "[ . 1 . 2]" 1
335 1 24 ALA HA 1 25 LEU HA . . 4.660 4.370 4.357 4.422 . 0 0 "[ . 1 . 2]" 1
336 1 24 ALA HA 1 25 LEU HB2 . . 4.770 4.659 4.590 4.729 . 0 0 "[ . 1 . 2]" 1
337 1 24 ALA HA 1 25 LEU HG . . 4.710 3.759 3.545 3.925 . 0 0 "[ . 1 . 2]" 1
338 1 24 ALA HA 1 26 TYR H . . 4.160 3.862 3.660 4.062 . 0 0 "[ . 1 . 2]" 1
339 1 24 ALA HA 1 72 LEU HA . . 3.780 2.697 2.488 3.075 . 0 0 "[ . 1 . 2]" 1
340 1 24 ALA HA 1 72 LEU MD2 . . 3.410 3.160 2.903 3.393 . 0 0 "[ . 1 . 2]" 1
341 1 24 ALA HA 1 73 VAL H . . 4.390 4.071 3.770 4.327 . 0 0 "[ . 1 . 2]" 1
342 1 24 ALA MB 1 25 LEU H . . 3.670 3.099 2.705 3.364 . 0 0 "[ . 1 . 2]" 1
343 1 24 ALA MB 1 25 LEU HA . . 5.010 4.411 4.238 4.580 . 0 0 "[ . 1 . 2]" 1
344 1 24 ALA MB 1 26 TYR H . . 3.530 3.096 2.869 3.313 . 0 0 "[ . 1 . 2]" 1
345 1 24 ALA MB 1 28 TYR H . . 4.180 3.899 3.551 4.178 . 0 0 "[ . 1 . 2]" 1
346 1 24 ALA MB 1 28 TYR HB2 . . 4.980 4.609 4.229 4.946 . 0 0 "[ . 1 . 2]" 1
347 1 24 ALA MB 1 28 TYR HB3 . . 4.850 4.687 4.409 4.853 0.003 14 0 "[ . 1 . 2]" 1
348 1 24 ALA MB 1 38 LEU HB2 . . 3.590 3.159 2.953 3.403 . 0 0 "[ . 1 . 2]" 1
349 1 24 ALA MB 1 38 LEU HB3 . . 3.330 2.201 2.011 2.425 . 0 0 "[ . 1 . 2]" 1
350 1 24 ALA MB 1 38 LEU MD1 . . 3.540 2.287 2.002 2.493 . 0 0 "[ . 1 . 2]" 1
351 1 24 ALA MB 1 38 LEU QD . . 2.760 2.144 1.982 2.404 . 0 0 "[ . 1 . 2]" 1
352 1 24 ALA MB 1 38 LEU MD2 . . 3.540 2.719 2.101 3.302 . 0 0 "[ . 1 . 2]" 1
353 1 24 ALA MB 1 39 ARG H . . 3.770 3.067 2.743 3.543 . 0 0 "[ . 1 . 2]" 1
354 1 24 ALA MB 1 40 ARG HA . . 3.430 3.056 2.587 3.365 . 0 0 "[ . 1 . 2]" 1
355 1 24 ALA MB 1 41 ASN H . . 3.820 3.566 3.346 3.742 . 0 0 "[ . 1 . 2]" 1
356 1 24 ALA MB 1 41 ASN HA . . 5.140 4.905 4.663 5.046 . 0 0 "[ . 1 . 2]" 1
357 1 24 ALA MB 1 42 GLU H . . 3.520 3.275 3.040 3.480 . 0 0 "[ . 1 . 2]" 1
358 1 24 ALA MB 1 42 GLU HA . . 5.500 5.400 5.167 5.495 . 0 0 "[ . 1 . 2]" 1
359 1 24 ALA MB 1 42 GLU QB . . 3.820 3.501 3.251 3.612 . 0 0 "[ . 1 . 2]" 1
360 1 24 ALA MB 1 44 TYR QD . . 4.310 3.548 3.123 3.983 . 0 0 "[ . 1 . 2]" 1
361 1 24 ALA MB 1 44 TYR QE . . 3.380 2.996 2.653 3.336 . 0 0 "[ . 1 . 2]" 1
362 1 24 ALA MB 1 71 TYR HB2 . . 5.220 3.982 3.738 4.251 . 0 0 "[ . 1 . 2]" 1
363 1 24 ALA MB 1 71 TYR HB3 . . 4.830 2.704 2.437 3.097 . 0 0 "[ . 1 . 2]" 1
364 1 24 ALA MB 1 71 TYR QD . . 4.570 3.166 2.977 3.307 . 0 0 "[ . 1 . 2]" 1
365 1 24 ALA MB 1 71 TYR QE . . 5.140 5.047 4.887 5.141 0.001 16 0 "[ . 1 . 2]" 1
366 1 24 ALA MB 1 72 LEU HA . . 4.680 3.808 3.631 4.124 . 0 0 "[ . 1 . 2]" 1
367 1 24 ALA MB 1 72 LEU MD2 . . 3.330 2.805 2.407 3.079 . 0 0 "[ . 1 . 2]" 1
368 1 25 LEU H 1 25 LEU HB2 . . 3.450 2.528 2.463 2.569 . 0 0 "[ . 1 . 2]" 1
369 1 25 LEU H 1 25 LEU HB3 . . 3.860 3.605 3.585 3.661 . 0 0 "[ . 1 . 2]" 1
370 1 25 LEU H 1 25 LEU MD1 . . 3.640 3.249 3.113 3.527 . 0 0 "[ . 1 . 2]" 1
371 1 25 LEU H 1 25 LEU MD2 . . 3.780 3.667 3.475 3.767 . 0 0 "[ . 1 . 2]" 1
372 1 25 LEU H 1 25 LEU HG . . 3.480 2.263 2.085 2.444 . 0 0 "[ . 1 . 2]" 1
373 1 25 LEU H 1 26 TYR H . . 3.200 2.489 2.202 2.773 . 0 0 "[ . 1 . 2]" 1
374 1 25 LEU H 1 26 TYR QD . . 4.980 4.027 3.578 4.458 . 0 0 "[ . 1 . 2]" 1
375 1 25 LEU H 1 71 TYR HA . . 4.850 3.027 2.834 3.207 . 0 0 "[ . 1 . 2]" 1
376 1 25 LEU H 1 72 LEU HA . . 4.270 4.111 3.981 4.252 . 0 0 "[ . 1 . 2]" 1
377 1 25 LEU H 1 73 VAL QG . . 3.990 3.242 2.924 3.586 . 0 0 "[ . 1 . 2]" 1
378 1 25 LEU HA 1 25 LEU MD1 . . 4.140 3.945 3.931 3.964 . 0 0 "[ . 1 . 2]" 1
379 1 25 LEU HA 1 25 LEU MD2 . . 2.790 2.360 2.219 2.543 . 0 0 "[ . 1 . 2]" 1
380 1 25 LEU HA 1 25 LEU HG . . 3.790 2.930 2.858 3.043 . 0 0 "[ . 1 . 2]" 1
381 1 25 LEU HA 1 40 ARG HG3 . . 4.800 4.410 3.799 4.790 . 0 0 "[ . 1 . 2]" 1
382 1 25 LEU HA 1 41 ASN H . . 4.910 4.137 3.618 4.519 . 0 0 "[ . 1 . 2]" 1
383 1 25 LEU HA 1 71 TYR HA . . 5.500 5.409 5.221 5.500 . 0 0 "[ . 1 . 2]" 1
384 1 25 LEU HA 1 73 VAL QG . . 4.810 3.817 3.660 3.933 . 0 0 "[ . 1 . 2]" 1
385 1 25 LEU HB2 1 25 LEU MD1 . . 3.320 2.132 2.006 2.225 . 0 0 "[ . 1 . 2]" 1
386 1 25 LEU HB2 1 26 TYR H . . 3.680 2.736 2.500 2.916 . 0 0 "[ . 1 . 2]" 1
387 1 25 LEU HB2 1 26 TYR QD . . 3.960 2.689 2.299 3.135 . 0 0 "[ . 1 . 2]" 1
388 1 25 LEU HB2 1 26 TYR QE . . 4.060 2.734 2.431 3.014 . 0 0 "[ . 1 . 2]" 1
389 1 25 LEU HB2 1 71 TYR HA . . 4.420 3.066 2.830 3.203 . 0 0 "[ . 1 . 2]" 1
390 1 25 LEU HB3 1 25 LEU MD1 . . 3.610 2.597 2.486 2.664 . 0 0 "[ . 1 . 2]" 1
391 1 25 LEU HB3 1 26 TYR H . . 4.040 3.823 3.634 3.971 . 0 0 "[ . 1 . 2]" 1
392 1 25 LEU HB3 1 26 TYR QD . . 4.260 3.843 3.621 3.978 . 0 0 "[ . 1 . 2]" 1
393 1 25 LEU HB3 1 26 TYR QE . . 4.090 3.433 3.203 3.606 . 0 0 "[ . 1 . 2]" 1
394 1 25 LEU HB3 1 71 TYR HA . . 5.120 4.776 4.564 4.925 . 0 0 "[ . 1 . 2]" 1
395 1 25 LEU MD1 1 26 TYR H . . 4.490 4.291 4.113 4.448 . 0 0 "[ . 1 . 2]" 1
396 1 25 LEU MD1 1 26 TYR QD . . 4.050 3.658 3.397 4.021 . 0 0 "[ . 1 . 2]" 1
397 1 25 LEU MD1 1 26 TYR QE . . 3.600 2.559 2.182 2.834 . 0 0 "[ . 1 . 2]" 1
398 1 25 LEU MD1 1 71 TYR H . . 5.230 4.617 4.446 4.854 . 0 0 "[ . 1 . 2]" 1
399 1 25 LEU MD1 1 71 TYR HA . . 3.890 2.637 2.298 3.014 . 0 0 "[ . 1 . 2]" 1
400 1 25 LEU MD1 1 72 LEU H . . 4.910 4.773 4.578 4.910 0.000 13 0 "[ . 1 . 2]" 1
401 1 25 LEU MD1 1 72 LEU HA . . 5.100 4.981 4.721 5.099 . 0 0 "[ . 1 . 2]" 1
402 1 25 LEU MD1 1 73 VAL H . . 5.470 5.147 4.915 5.383 . 0 0 "[ . 1 . 2]" 1
403 1 25 LEU MD1 1 73 VAL HB . . 4.400 4.183 3.939 4.396 . 0 0 "[ . 1 . 2]" 1
404 1 25 LEU MD2 1 26 TYR H . . 5.090 4.847 4.771 4.910 . 0 0 "[ . 1 . 2]" 1
405 1 25 LEU MD2 1 26 TYR QE . . 4.520 4.357 4.135 4.498 . 0 0 "[ . 1 . 2]" 1
406 1 25 LEU MD2 1 73 VAL HB . . 3.770 3.719 3.569 3.771 0.001 13 0 "[ . 1 . 2]" 1
407 1 25 LEU HG 1 26 TYR H . . 4.430 4.308 4.229 4.403 . 0 0 "[ . 1 . 2]" 1
408 1 25 LEU HG 1 72 LEU HA . . 4.840 4.655 4.450 4.829 . 0 0 "[ . 1 . 2]" 1
409 1 25 LEU HG 1 73 VAL H . . 5.080 4.752 4.422 5.031 . 0 0 "[ . 1 . 2]" 1
410 1 25 LEU HG 1 73 VAL HB . . 4.800 4.626 4.422 4.786 . 0 0 "[ . 1 . 2]" 1
411 1 25 LEU HG 1 73 VAL QG . . 3.500 1.924 1.851 2.023 . 0 0 "[ . 1 . 2]" 1
412 1 26 TYR H 1 26 TYR HB2 . . 3.680 2.946 2.857 3.068 . 0 0 "[ . 1 . 2]" 1
413 1 26 TYR H 1 26 TYR QD . . 3.850 2.675 2.343 3.002 . 0 0 "[ . 1 . 2]" 1
414 1 26 TYR H 1 26 TYR QE . . 4.940 4.434 4.243 4.615 . 0 0 "[ . 1 . 2]" 1
415 1 26 TYR H 1 27 ASP H . . 4.610 4.440 4.406 4.472 . 0 0 "[ . 1 . 2]" 1
416 1 26 TYR H 1 40 ARG HA . . 4.640 4.313 3.849 4.555 . 0 0 "[ . 1 . 2]" 1
417 1 26 TYR H 1 71 TYR HA . . 4.620 3.689 3.541 3.920 . 0 0 "[ . 1 . 2]" 1
418 1 26 TYR H 1 71 TYR HB2 . . 5.130 4.932 4.840 5.052 . 0 0 "[ . 1 . 2]" 1
419 1 26 TYR H 1 71 TYR HB3 . . 3.710 3.306 3.187 3.441 . 0 0 "[ . 1 . 2]" 1
420 1 26 TYR HB2 1 27 ASP H . . 3.850 3.366 3.040 3.772 . 0 0 "[ . 1 . 2]" 1
421 1 26 TYR HB2 1 71 TYR QD . . 3.940 3.023 2.817 3.240 . 0 0 "[ . 1 . 2]" 1
422 1 26 TYR HB2 1 71 TYR QE . . 3.780 2.216 1.999 2.429 . 0 0 "[ . 1 . 2]" 1
423 1 26 TYR HB3 1 27 ASP H . . 3.480 2.647 2.276 3.014 . 0 0 "[ . 1 . 2]" 1
424 1 26 TYR HB3 1 71 TYR QD . . 5.010 4.581 4.417 4.757 . 0 0 "[ . 1 . 2]" 1
425 1 26 TYR HB3 1 71 TYR QE . . 3.810 3.576 3.430 3.740 . 0 0 "[ . 1 . 2]" 1
426 1 26 TYR QD 1 27 ASP H . . 4.440 4.316 4.122 4.424 . 0 0 "[ . 1 . 2]" 1
427 1 26 TYR QD 1 71 TYR HA . . 3.500 3.079 2.889 3.460 . 0 0 "[ . 1 . 2]" 1
428 1 26 TYR QD 1 71 TYR HB2 . . 5.380 4.914 4.567 5.126 . 0 0 "[ . 1 . 2]" 1
429 1 26 TYR QD 1 71 TYR QD . . 4.160 3.256 2.955 3.467 . 0 0 "[ . 1 . 2]" 1
430 1 26 TYR QD 1 71 TYR QE . . 4.380 3.463 3.229 3.758 . 0 0 "[ . 1 . 2]" 1
431 1 26 TYR QE 1 71 TYR HA . . 3.970 3.639 3.153 3.960 . 0 0 "[ . 1 . 2]" 1
432 1 26 TYR QE 1 71 TYR QD . . 4.730 4.524 3.854 4.722 . 0 0 "[ . 1 . 2]" 1
433 1 26 TYR QE 1 71 TYR QE . . 5.410 4.726 4.192 4.939 . 0 0 "[ . 1 . 2]" 1
434 1 27 ASP H 1 27 ASP HB2 . . 3.670 3.206 2.453 3.679 0.009 12 0 "[ . 1 . 2]" 1
435 1 27 ASP H 1 27 ASP HB3 . . 3.670 2.767 2.297 3.620 . 0 0 "[ . 1 . 2]" 1
436 1 27 ASP H 1 28 TYR H . . 4.790 4.190 3.716 4.410 . 0 0 "[ . 1 . 2]" 1
437 1 27 ASP H 1 40 ARG H . . 4.590 4.295 3.731 4.590 0.000 19 0 "[ . 1 . 2]" 1
438 1 27 ASP H 1 40 ARG HB2 . . 4.810 2.784 2.263 3.094 . 0 0 "[ . 1 . 2]" 1
439 1 27 ASP H 1 40 ARG QB . . 4.070 2.758 2.251 3.058 . 0 0 "[ . 1 . 2]" 1
440 1 27 ASP H 1 40 ARG HB3 . . 4.810 4.473 3.963 4.785 . 0 0 "[ . 1 . 2]" 1
441 1 27 ASP H 1 40 ARG HD2 . . 4.900 4.142 3.078 4.900 0.000 4 0 "[ . 1 . 2]" 1
442 1 27 ASP H 1 40 ARG HD3 . . 4.900 3.993 2.811 4.900 . 0 0 "[ . 1 . 2]" 1
443 1 27 ASP H 1 40 ARG HG3 . . 4.920 4.403 3.663 4.833 . 0 0 "[ . 1 . 2]" 1
444 1 27 ASP H 1 71 TYR QE . . 5.240 4.285 3.887 4.787 . 0 0 "[ . 1 . 2]" 1
445 1 27 ASP HA 1 28 TYR H . . 2.990 2.211 2.143 2.419 . 0 0 "[ . 1 . 2]" 1
446 1 27 ASP HA 1 38 LEU HB2 . . 4.840 4.147 3.916 4.629 . 0 0 "[ . 1 . 2]" 1
447 1 27 ASP HA 1 40 ARG H . . 3.560 2.851 2.532 3.134 . 0 0 "[ . 1 . 2]" 1
448 1 27 ASP QB 1 28 TYR H . . 3.980 3.781 3.423 4.002 0.022 18 0 "[ . 1 . 2]" 1
449 1 27 ASP QB 1 40 ARG H . . 4.710 2.410 1.895 3.472 . 0 0 "[ . 1 . 2]" 1
450 1 27 ASP HB2 1 28 TYR H . . 4.570 4.163 3.703 4.537 . 0 0 "[ . 1 . 2]" 1
451 1 27 ASP HB3 1 28 TYR H . . 4.570 4.401 3.611 4.570 0.000 16 0 "[ . 1 . 2]" 1
452 1 28 TYR H 1 28 TYR HB2 . . 3.900 2.654 2.470 2.932 . 0 0 "[ . 1 . 2]" 1
453 1 28 TYR H 1 28 TYR HB3 . . 3.430 2.496 2.416 2.629 . 0 0 "[ . 1 . 2]" 1
454 1 28 TYR H 1 28 TYR QD . . 4.330 4.207 4.172 4.236 . 0 0 "[ . 1 . 2]" 1
455 1 28 TYR H 1 29 GLN H . . 4.720 4.588 4.496 4.633 . 0 0 "[ . 1 . 2]" 1
456 1 28 TYR H 1 38 LEU HB2 . . 3.640 2.541 2.321 2.967 . 0 0 "[ . 1 . 2]" 1
457 1 28 TYR H 1 38 LEU HB3 . . 3.990 3.590 3.321 3.758 . 0 0 "[ . 1 . 2]" 1
458 1 28 TYR H 1 38 LEU MD1 . . 5.220 4.086 3.869 4.406 . 0 0 "[ . 1 . 2]" 1
459 1 28 TYR H 1 38 LEU QD . . 4.190 3.931 3.760 4.177 . 0 0 "[ . 1 . 2]" 1
460 1 28 TYR H 1 38 LEU MD2 . . 5.220 5.127 4.937 5.220 0.000 12 0 "[ . 1 . 2]" 1
461 1 28 TYR H 1 71 TYR QE . . 5.220 3.561 3.028 3.863 . 0 0 "[ . 1 . 2]" 1
462 1 28 TYR HA 1 28 TYR QD . . 3.520 2.474 2.105 2.849 . 0 0 "[ . 1 . 2]" 1
463 1 28 TYR HA 1 29 GLN H . . 2.810 2.240 2.148 2.366 . 0 0 "[ . 1 . 2]" 1
464 1 28 TYR HA 1 29 GLN HA . . 4.890 4.427 4.389 4.517 . 0 0 "[ . 1 . 2]" 1
465 1 28 TYR HA 1 29 GLN QG . . 4.710 4.066 3.308 4.464 . 0 0 "[ . 1 . 2]" 1
466 1 28 TYR HA 1 71 TYR QD . . 4.910 4.144 3.920 4.357 . 0 0 "[ . 1 . 2]" 1
467 1 28 TYR HA 1 71 TYR QE . . 4.030 2.813 2.433 3.116 . 0 0 "[ . 1 . 2]" 1
468 1 28 TYR HB2 1 29 GLN H . . 4.260 4.027 3.798 4.226 . 0 0 "[ . 1 . 2]" 1
469 1 28 TYR HB2 1 38 LEU H . . 3.960 3.768 3.612 3.956 . 0 0 "[ . 1 . 2]" 1
470 1 28 TYR HB2 1 38 LEU HB2 . . 4.000 2.908 2.625 3.135 . 0 0 "[ . 1 . 2]" 1
471 1 28 TYR HB2 1 38 LEU HB3 . . 4.880 4.500 4.108 4.705 . 0 0 "[ . 1 . 2]" 1
472 1 28 TYR HB2 1 38 LEU QD . . 3.790 3.160 2.840 3.652 . 0 0 "[ . 1 . 2]" 1
473 1 28 TYR HB2 1 38 LEU HG . . 5.500 4.432 3.842 5.282 . 0 0 "[ . 1 . 2]" 1
474 1 28 TYR HB2 1 67 VAL MG1 . . 5.470 4.552 4.112 4.815 . 0 0 "[ . 1 . 2]" 1
475 1 28 TYR HB2 1 68 PRO HD2 . . 5.220 4.131 3.799 4.561 . 0 0 "[ . 1 . 2]" 1
476 1 28 TYR HB2 1 68 PRO HG3 . . 5.320 4.266 3.783 5.031 . 0 0 "[ . 1 . 2]" 1
477 1 28 TYR HB2 1 71 TYR QD . . 3.630 2.584 2.127 2.811 . 0 0 "[ . 1 . 2]" 1
478 1 28 TYR HB2 1 71 TYR QE . . 3.630 2.769 2.369 3.145 . 0 0 "[ . 1 . 2]" 1
479 1 28 TYR HB3 1 29 GLN H . . 4.480 3.941 3.600 4.253 . 0 0 "[ . 1 . 2]" 1
480 1 28 TYR HB3 1 37 ALA MB . . 4.570 4.400 4.149 4.558 . 0 0 "[ . 1 . 2]" 1
481 1 28 TYR HB3 1 38 LEU H . . 3.610 2.038 1.918 2.224 . 0 0 "[ . 1 . 2]" 1
482 1 28 TYR HB3 1 38 LEU HB2 . . 3.760 2.054 1.999 2.206 . 0 0 "[ . 1 . 2]" 1
483 1 28 TYR HB3 1 38 LEU HB3 . . 4.230 3.788 3.700 3.939 . 0 0 "[ . 1 . 2]" 1
484 1 28 TYR HB3 1 38 LEU QD . . 3.500 3.049 2.655 3.364 . 0 0 "[ . 1 . 2]" 1
485 1 28 TYR HB3 1 38 LEU HG . . 4.320 3.308 2.842 4.122 . 0 0 "[ . 1 . 2]" 1
486 1 28 TYR HB3 1 71 TYR QD . . 4.470 3.810 3.547 4.078 . 0 0 "[ . 1 . 2]" 1
487 1 28 TYR HB3 1 71 TYR QE . . 4.550 4.283 3.907 4.549 . 0 0 "[ . 1 . 2]" 1
488 1 28 TYR QD 1 29 GLN H . . 3.750 2.899 2.154 3.427 . 0 0 "[ . 1 . 2]" 1
489 1 28 TYR QD 1 30 THR HB . . 4.720 4.116 3.428 4.683 . 0 0 "[ . 1 . 2]" 1
490 1 28 TYR QD 1 30 THR MG . . 3.780 3.246 2.405 3.733 . 0 0 "[ . 1 . 2]" 1
491 1 28 TYR QD 1 37 ALA HA . . 3.870 2.471 2.006 2.901 . 0 0 "[ . 1 . 2]" 1
492 1 28 TYR QD 1 37 ALA MB . . 4.720 3.997 3.557 4.296 . 0 0 "[ . 1 . 2]" 1
493 1 28 TYR QD 1 38 LEU H . . 3.910 2.390 2.164 2.630 . 0 0 "[ . 1 . 2]" 1
494 1 28 TYR QD 1 38 LEU HB2 . . 4.350 3.733 3.543 3.860 . 0 0 "[ . 1 . 2]" 1
495 1 28 TYR QD 1 38 LEU HB3 . . 5.270 5.211 5.025 5.271 0.001 13 0 "[ . 1 . 2]" 1
496 1 28 TYR QD 1 38 LEU MD1 . . 5.500 3.703 2.961 4.181 . 0 0 "[ . 1 . 2]" 1
497 1 28 TYR QD 1 38 LEU QD . . 4.190 3.574 2.927 4.026 . 0 0 "[ . 1 . 2]" 1
498 1 28 TYR QD 1 38 LEU MD2 . . 5.500 4.794 4.397 5.497 . 0 0 "[ . 1 . 2]" 1
499 1 28 TYR QD 1 38 LEU HG . . 4.660 3.440 2.974 4.428 . 0 0 "[ . 1 . 2]" 1
500 1 28 TYR QD 1 67 VAL HB . . 4.870 4.308 3.727 4.861 . 0 0 "[ . 1 . 2]" 1
501 1 28 TYR QD 1 67 VAL MG1 . . 3.770 2.572 2.193 2.863 . 0 0 "[ . 1 . 2]" 1
502 1 28 TYR QD 1 68 PRO HD2 . . 4.640 3.506 2.839 4.049 . 0 0 "[ . 1 . 2]" 1
503 1 28 TYR QD 1 68 PRO HD3 . . 4.680 3.975 3.517 4.571 . 0 0 "[ . 1 . 2]" 1
504 1 28 TYR QD 1 68 PRO HG2 . . 4.360 4.178 3.704 4.361 0.001 16 0 "[ . 1 . 2]" 1
505 1 28 TYR QD 1 68 PRO HG3 . . 4.370 3.583 2.799 4.030 . 0 0 "[ . 1 . 2]" 1
506 1 28 TYR QE 1 29 GLN H . . 4.830 3.899 3.435 4.352 . 0 0 "[ . 1 . 2]" 1
507 1 28 TYR QE 1 30 THR H . . 5.500 5.005 4.601 5.202 . 0 0 "[ . 1 . 2]" 1
508 1 28 TYR QE 1 30 THR HA . . 4.790 4.645 4.314 4.791 0.001 13 0 "[ . 1 . 2]" 1
509 1 28 TYR QE 1 30 THR HB . . 3.830 2.640 2.031 3.167 . 0 0 "[ . 1 . 2]" 1
510 1 28 TYR QE 1 30 THR MG . . 3.420 2.532 1.981 3.371 . 0 0 "[ . 1 . 2]" 1
511 1 28 TYR QE 1 35 GLU HB2 . . 4.760 4.297 3.449 4.745 . 0 0 "[ . 1 . 2]" 1
512 1 28 TYR QE 1 35 GLU HB3 . . 3.850 2.952 2.613 3.294 . 0 0 "[ . 1 . 2]" 1
513 1 28 TYR QE 1 35 GLU QG . . 5.190 4.153 3.308 5.037 . 0 0 "[ . 1 . 2]" 1
514 1 28 TYR QE 1 36 LEU H . . 4.510 3.889 3.381 4.468 . 0 0 "[ . 1 . 2]" 1
515 1 28 TYR QE 1 38 LEU H . . 5.110 4.656 4.398 4.861 . 0 0 "[ . 1 . 2]" 1
516 1 28 TYR QE 1 67 VAL HB . . 5.350 5.038 4.602 5.346 . 0 0 "[ . 1 . 2]" 1
517 1 28 TYR QE 1 67 VAL MG1 . . 3.990 3.325 3.123 3.600 . 0 0 "[ . 1 . 2]" 1
518 1 28 TYR QE 1 68 PRO HD2 . . 4.500 3.900 3.365 4.283 . 0 0 "[ . 1 . 2]" 1
519 1 28 TYR QE 1 68 PRO HD3 . . 4.200 3.394 2.786 3.881 . 0 0 "[ . 1 . 2]" 1
520 1 28 TYR QE 1 68 PRO HG2 . . 5.110 4.778 4.489 5.032 . 0 0 "[ . 1 . 2]" 1
521 1 28 TYR QE 1 68 PRO HG3 . . 4.080 3.526 2.950 3.861 . 0 0 "[ . 1 . 2]" 1
522 1 29 GLN H 1 29 GLN HB2 . . 4.050 3.045 2.396 3.987 . 0 0 "[ . 1 . 2]" 1
523 1 29 GLN H 1 29 GLN QB . . 3.200 2.704 2.361 3.202 0.002 1 0 "[ . 1 . 2]" 1
524 1 29 GLN H 1 29 GLN HB3 . . 4.050 3.478 3.049 3.690 . 0 0 "[ . 1 . 2]" 1
525 1 29 GLN H 1 29 GLN QG . . 3.480 2.996 1.989 3.480 0.000 3 0 "[ . 1 . 2]" 1
526 1 29 GLN H 1 71 TYR QE . . 5.130 4.841 4.569 5.115 . 0 0 "[ . 1 . 2]" 1
527 1 29 GLN HA 1 29 GLN QG . . 3.460 2.715 2.278 3.393 . 0 0 "[ . 1 . 2]" 1
528 1 29 GLN HA 1 30 THR H . . 2.700 2.222 2.142 2.306 . 0 0 "[ . 1 . 2]" 1
529 1 29 GLN HA 1 30 THR MG . . 4.560 3.526 3.225 3.881 . 0 0 "[ . 1 . 2]" 1
530 1 29 GLN HA 1 37 ALA MB . . 4.200 2.166 1.826 2.713 . 0 0 "[ . 1 . 2]" 1
531 1 29 GLN QB 1 30 THR H . . 3.350 2.957 2.642 3.286 . 0 0 "[ . 1 . 2]" 1
532 1 29 GLN QG 1 30 THR H . . 4.400 3.711 3.265 4.346 . 0 0 "[ . 1 . 2]" 1
533 1 29 GLN QG 1 30 THR HA . . 5.500 4.866 3.289 5.504 0.004 4 0 "[ . 1 . 2]" 1
534 1 29 GLN QG 1 37 ALA MB . . 4.540 3.788 2.758 4.540 . 0 0 "[ . 1 . 2]" 1
535 1 30 THR H 1 30 THR HB . . 3.990 3.470 3.234 3.618 . 0 0 "[ . 1 . 2]" 1
536 1 30 THR H 1 30 THR MG . . 3.100 2.351 1.887 2.659 . 0 0 "[ . 1 . 2]" 1
537 1 30 THR H 1 31 ASN H . . 4.530 4.210 3.761 4.519 . 0 0 "[ . 1 . 2]" 1
538 1 30 THR H 1 37 ALA MB . . 3.640 2.433 1.851 3.124 . 0 0 "[ . 1 . 2]" 1
539 1 30 THR HA 1 30 THR MG . . 3.630 3.189 3.150 3.206 . 0 0 "[ . 1 . 2]" 1
540 1 30 THR HA 1 31 ASN QB . . 4.880 4.328 3.968 4.636 . 0 0 "[ . 1 . 2]" 1
541 1 30 THR HA 1 32 ASP H . . 4.250 3.966 3.581 4.226 . 0 0 "[ . 1 . 2]" 1
542 1 30 THR HA 1 35 GLU HB2 . . 5.500 5.201 4.928 5.370 . 0 0 "[ . 1 . 2]" 1
543 1 30 THR HB 1 31 ASN H . . 4.640 3.992 3.496 4.446 . 0 0 "[ . 1 . 2]" 1
544 1 30 THR HB 1 32 ASP H . . 4.580 4.375 3.935 4.580 0.000 13 0 "[ . 1 . 2]" 1
545 1 30 THR HB 1 35 GLU HB2 . . 4.550 3.734 3.140 4.262 . 0 0 "[ . 1 . 2]" 1
546 1 30 THR HB 1 35 GLU HB3 . . 4.580 3.416 2.863 4.414 . 0 0 "[ . 1 . 2]" 1
547 1 30 THR MG 1 31 ASN H . . 4.420 3.883 3.565 4.144 . 0 0 "[ . 1 . 2]" 1
548 1 30 THR MG 1 32 ASP H . . 4.070 3.150 2.567 3.903 . 0 0 "[ . 1 . 2]" 1
549 1 30 THR MG 1 35 GLU H . . 4.370 4.004 3.485 4.345 . 0 0 "[ . 1 . 2]" 1
550 1 30 THR MG 1 35 GLU HA . . 4.670 3.923 3.638 4.318 . 0 0 "[ . 1 . 2]" 1
551 1 30 THR MG 1 35 GLU HB2 . . 3.330 2.517 2.076 3.008 . 0 0 "[ . 1 . 2]" 1
552 1 30 THR MG 1 35 GLU HB3 . . 3.390 2.328 1.962 3.106 . 0 0 "[ . 1 . 2]" 1
553 1 30 THR MG 1 36 LEU H . . 3.950 3.128 2.493 3.814 . 0 0 "[ . 1 . 2]" 1
554 1 30 THR MG 1 36 LEU HA . . 4.330 3.029 2.526 3.466 . 0 0 "[ . 1 . 2]" 1
555 1 30 THR MG 1 37 ALA H . . 3.740 3.181 2.631 3.640 . 0 0 "[ . 1 . 2]" 1
556 1 30 THR MG 1 37 ALA HA . . 3.350 2.657 2.044 3.169 . 0 0 "[ . 1 . 2]" 1
557 1 30 THR MG 1 37 ALA MB . . 3.220 2.487 2.017 3.046 . 0 0 "[ . 1 . 2]" 1
558 1 30 THR MG 1 38 LEU H . . 4.980 4.330 3.566 4.934 . 0 0 "[ . 1 . 2]" 1
559 1 31 ASN H 1 32 ASP H . . 3.630 2.657 2.133 3.263 . 0 0 "[ . 1 . 2]" 1
560 1 32 ASP H 1 32 ASP HB2 . . 3.680 2.620 2.214 3.697 0.017 16 0 "[ . 1 . 2]" 1
561 1 32 ASP H 1 32 ASP QB . . 3.110 2.479 2.149 2.868 . 0 0 "[ . 1 . 2]" 1
562 1 32 ASP H 1 32 ASP HB3 . . 3.680 3.460 2.811 3.682 0.002 7 0 "[ . 1 . 2]" 1
563 1 32 ASP H 1 35 GLU H . . 5.020 4.515 4.159 4.937 . 0 0 "[ . 1 . 2]" 1
564 1 32 ASP H 1 35 GLU HB2 . . 4.280 3.659 3.049 4.182 . 0 0 "[ . 1 . 2]" 1
565 1 32 ASP QB 1 33 PRO HD2 . . 4.330 2.499 2.134 3.294 . 0 0 "[ . 1 . 2]" 1
566 1 32 ASP QB 1 33 PRO HD3 . . 5.000 3.714 3.480 4.177 . 0 0 "[ . 1 . 2]" 1
567 1 32 ASP QB 1 34 GLN H . . 4.110 2.840 2.350 3.424 . 0 0 "[ . 1 . 2]" 1
568 1 32 ASP QB 1 35 GLU H . . 3.610 2.711 2.250 3.427 . 0 0 "[ . 1 . 2]" 1
569 1 32 ASP HB2 1 35 GLU H . . 4.150 3.355 2.631 4.072 . 0 0 "[ . 1 . 2]" 1
570 1 32 ASP HB3 1 35 GLU H . . 4.150 3.089 2.262 4.195 0.045 16 0 "[ . 1 . 2]" 1
571 1 33 PRO HA 1 35 GLU H . . 4.690 4.265 3.674 4.699 0.009 16 0 "[ . 1 . 2]" 1
572 1 33 PRO QB 1 34 GLN H . . 3.940 3.154 2.870 3.580 . 0 0 "[ . 1 . 2]" 1
573 1 33 PRO HD2 1 34 GLN H . . 3.780 2.696 2.648 2.834 . 0 0 "[ . 1 . 2]" 1
574 1 33 PRO HD2 1 34 GLN QG . . 5.010 3.958 3.106 4.896 . 0 0 "[ . 1 . 2]" 1
575 1 33 PRO HD2 1 35 GLU H . . 5.080 4.435 4.029 4.968 . 0 0 "[ . 1 . 2]" 1
576 1 33 PRO HD3 1 34 GLN H . . 4.210 3.859 3.837 3.942 . 0 0 "[ . 1 . 2]" 1
577 1 33 PRO QG 1 34 GLN H . . 3.540 2.315 1.955 2.977 . 0 0 "[ . 1 . 2]" 1
578 1 34 GLN H 1 34 GLN HB2 . . 3.720 2.961 2.182 3.720 0.000 15 0 "[ . 1 . 2]" 1
579 1 34 GLN H 1 34 GLN QB . . 3.040 2.412 2.161 2.810 . 0 0 "[ . 1 . 2]" 1
580 1 34 GLN H 1 34 GLN HB3 . . 3.720 3.077 2.378 3.651 . 0 0 "[ . 1 . 2]" 1
581 1 34 GLN H 1 34 GLN QG . . 3.170 2.540 1.905 3.171 0.001 16 0 "[ . 1 . 2]" 1
582 1 34 GLN H 1 35 GLU H . . 2.980 2.596 2.281 2.930 . 0 0 "[ . 1 . 2]" 1
583 1 34 GLN HA 1 34 GLN QG . . 3.490 2.914 2.197 3.417 . 0 0 "[ . 1 . 2]" 1
584 1 34 GLN QB 1 35 GLU H . . 4.140 3.129 2.514 4.045 . 0 0 "[ . 1 . 2]" 1
585 1 34 GLN QB 1 66 TYR QD . . 4.100 2.899 2.477 3.205 . 0 0 "[ . 1 . 2]" 1
586 1 34 GLN HB2 1 66 TYR QD . . 4.880 3.657 2.496 4.745 . 0 0 "[ . 1 . 2]" 1
587 1 34 GLN HB3 1 66 TYR QD . . 4.880 3.765 2.654 4.853 . 0 0 "[ . 1 . 2]" 1
588 1 34 GLN QG 1 35 GLU H . . 4.550 3.391 2.018 4.447 . 0 0 "[ . 1 . 2]" 1
589 1 34 GLN QG 1 66 TYR QD . . 4.700 3.944 2.490 4.701 0.001 20 0 "[ . 1 . 2]" 1
590 1 35 GLU H 1 35 GLU HB2 . . 3.230 2.444 2.191 2.952 . 0 0 "[ . 1 . 2]" 1
591 1 35 GLU H 1 35 GLU HG2 . . 4.360 4.011 3.703 4.316 . 0 0 "[ . 1 . 2]" 1
592 1 35 GLU H 1 35 GLU QG . . 3.830 2.947 2.281 3.585 . 0 0 "[ . 1 . 2]" 1
593 1 35 GLU H 1 35 GLU HG3 . . 4.360 3.067 2.303 3.978 . 0 0 "[ . 1 . 2]" 1
594 1 35 GLU H 1 36 LEU H . . 4.860 4.544 4.398 4.622 . 0 0 "[ . 1 . 2]" 1
595 1 35 GLU H 1 65 GLY HA3 . . 5.500 5.022 4.385 5.496 . 0 0 "[ . 1 . 2]" 1
596 1 35 GLU HA 1 35 GLU HG2 . . 4.100 2.843 2.377 3.731 . 0 0 "[ . 1 . 2]" 1
597 1 35 GLU HA 1 35 GLU HG3 . . 4.100 2.785 2.176 3.341 . 0 0 "[ . 1 . 2]" 1
598 1 35 GLU HA 1 36 LEU H . . 3.220 2.328 2.185 2.548 . 0 0 "[ . 1 . 2]" 1
599 1 35 GLU HA 1 65 GLY HA2 . . 4.540 3.988 3.330 4.436 . 0 0 "[ . 1 . 2]" 1
600 1 35 GLU HA 1 65 GLY HA3 . . 4.490 3.285 2.965 3.578 . 0 0 "[ . 1 . 2]" 1
601 1 35 GLU HA 1 66 TYR H . . 3.160 2.054 1.901 2.247 . 0 0 "[ . 1 . 2]" 1
602 1 35 GLU HA 1 66 TYR HB2 . . 4.320 2.863 2.506 3.237 . 0 0 "[ . 1 . 2]" 1
603 1 35 GLU HA 1 66 TYR HB3 . . 4.860 4.374 4.067 4.683 . 0 0 "[ . 1 . 2]" 1
604 1 35 GLU HA 1 67 VAL MG1 . . 4.590 4.201 3.701 4.508 . 0 0 "[ . 1 . 2]" 1
605 1 35 GLU HB2 1 36 LEU H . . 4.510 3.839 3.361 4.256 . 0 0 "[ . 1 . 2]" 1
606 1 35 GLU HB3 1 36 LEU H . . 3.360 2.659 2.115 3.143 . 0 0 "[ . 1 . 2]" 1
607 1 35 GLU HB3 1 66 TYR H . . 4.650 4.394 4.053 4.650 . 0 0 "[ . 1 . 2]" 1
608 1 35 GLU QG 1 36 LEU H . . 4.330 3.762 3.386 4.187 . 0 0 "[ . 1 . 2]" 1
609 1 35 GLU QG 1 66 TYR H . . 3.880 3.602 3.112 3.877 . 0 0 "[ . 1 . 2]" 1
610 1 35 GLU HG2 1 36 LEU H . . 4.940 4.173 3.662 4.848 . 0 0 "[ . 1 . 2]" 1
611 1 35 GLU HG3 1 36 LEU H . . 4.940 4.529 3.534 4.943 0.003 16 0 "[ . 1 . 2]" 1
612 1 36 LEU H 1 36 LEU HB2 . . 3.550 3.079 2.830 3.286 . 0 0 "[ . 1 . 2]" 1
613 1 36 LEU H 1 36 LEU HB3 . . 3.560 2.535 2.398 2.727 . 0 0 "[ . 1 . 2]" 1
614 1 36 LEU H 1 36 LEU MD1 . . 4.610 4.440 4.289 4.549 . 0 0 "[ . 1 . 2]" 1
615 1 36 LEU H 1 36 LEU HG . . 4.780 4.395 4.285 4.464 . 0 0 "[ . 1 . 2]" 1
616 1 36 LEU H 1 65 GLY HA3 . . 4.620 3.096 2.273 3.745 . 0 0 "[ . 1 . 2]" 1
617 1 36 LEU H 1 66 TYR H . . 4.150 3.199 2.391 3.840 . 0 0 "[ . 1 . 2]" 1
618 1 36 LEU H 1 67 VAL MG1 . . 3.370 2.562 2.068 2.784 . 0 0 "[ . 1 . 2]" 1
619 1 36 LEU HA 1 36 LEU MD1 . . 3.060 2.490 2.236 2.687 . 0 0 "[ . 1 . 2]" 1
620 1 36 LEU HA 1 36 LEU MD2 . . 3.990 3.958 3.912 3.992 0.002 18 0 "[ . 1 . 2]" 1
621 1 36 LEU HA 1 36 LEU HG . . 3.990 2.963 2.846 3.138 . 0 0 "[ . 1 . 2]" 1
622 1 36 LEU HA 1 37 ALA H . . 2.890 2.258 2.211 2.335 . 0 0 "[ . 1 . 2]" 1
623 1 36 LEU HA 1 37 ALA MB . . 4.120 3.939 3.864 3.991 . 0 0 "[ . 1 . 2]" 1
624 1 36 LEU HA 1 67 VAL MG1 . . 4.690 4.208 4.065 4.349 . 0 0 "[ . 1 . 2]" 1
625 1 36 LEU HB2 1 37 ALA H . . 4.240 3.934 3.825 4.059 . 0 0 "[ . 1 . 2]" 1
626 1 36 LEU HB2 1 65 GLY H . . 4.050 3.608 3.098 3.844 . 0 0 "[ . 1 . 2]" 1
627 1 36 LEU HB2 1 65 GLY HA2 . . 4.010 3.770 3.576 3.964 . 0 0 "[ . 1 . 2]" 1
628 1 36 LEU HB2 1 65 GLY HA3 . . 3.950 2.143 2.000 2.345 . 0 0 "[ . 1 . 2]" 1
629 1 36 LEU HB2 1 67 VAL MG1 . . 3.940 3.748 3.492 3.939 . 0 0 "[ . 1 . 2]" 1
630 1 36 LEU HB3 1 36 LEU MD2 . . 3.310 2.137 1.965 2.297 . 0 0 "[ . 1 . 2]" 1
631 1 36 LEU HB3 1 37 ALA H . . 4.250 3.952 3.776 4.035 . 0 0 "[ . 1 . 2]" 1
632 1 36 LEU HB3 1 65 GLY HA2 . . 4.780 4.588 4.181 4.760 . 0 0 "[ . 1 . 2]" 1
633 1 36 LEU HB3 1 65 GLY HA3 . . 4.360 2.996 2.577 3.219 . 0 0 "[ . 1 . 2]" 1
634 1 36 LEU HB3 1 67 VAL MG1 . . 3.280 2.312 2.078 2.479 . 0 0 "[ . 1 . 2]" 1
635 1 36 LEU MD1 1 37 ALA H . . 3.450 2.613 1.945 3.009 . 0 0 "[ . 1 . 2]" 1
636 1 36 LEU MD1 1 44 TYR QD . . 5.150 5.023 4.809 5.149 . 0 0 "[ . 1 . 2]" 1
637 1 36 LEU MD1 1 44 TYR QE . . 4.360 4.101 3.963 4.360 . 0 0 "[ . 1 . 2]" 1
638 1 36 LEU MD1 1 58 GLN HA . . 4.740 4.533 3.994 4.695 . 0 0 "[ . 1 . 2]" 1
639 1 36 LEU MD1 1 59 ASP H . . 4.180 3.835 2.907 4.149 . 0 0 "[ . 1 . 2]" 1
640 1 36 LEU MD1 1 59 ASP HB2 . . 4.410 3.496 2.849 4.257 . 0 0 "[ . 1 . 2]" 1
641 1 36 LEU MD1 1 59 ASP QB . . 3.790 3.173 2.761 3.497 . 0 0 "[ . 1 . 2]" 1
642 1 36 LEU MD1 1 59 ASP HB3 . . 4.410 3.861 3.119 4.370 . 0 0 "[ . 1 . 2]" 1
643 1 36 LEU MD1 1 63 HIS H . . 4.470 4.200 3.598 4.448 . 0 0 "[ . 1 . 2]" 1
644 1 36 LEU MD1 1 63 HIS HB2 . . 3.390 2.135 1.909 2.400 . 0 0 "[ . 1 . 2]" 1
645 1 36 LEU MD1 1 63 HIS HB3 . . 3.390 2.468 2.040 3.238 . 0 0 "[ . 1 . 2]" 1
646 1 36 LEU MD1 1 64 GLU H . . 4.100 3.298 2.655 3.625 . 0 0 "[ . 1 . 2]" 1
647 1 36 LEU MD1 1 64 GLU HA . . 3.920 3.171 2.893 3.592 . 0 0 "[ . 1 . 2]" 1
648 1 36 LEU MD1 1 65 GLY H . . 4.470 4.327 4.074 4.471 0.001 13 0 "[ . 1 . 2]" 1
649 1 36 LEU MD1 1 65 GLY HA3 . . 4.330 3.742 3.553 4.086 . 0 0 "[ . 1 . 2]" 1
650 1 36 LEU MD2 1 37 ALA H . . 4.030 3.939 3.729 4.025 . 0 0 "[ . 1 . 2]" 1
651 1 36 LEU MD2 1 38 LEU QD . . 3.760 2.464 1.925 2.930 . 0 0 "[ . 1 . 2]" 1
652 1 36 LEU MD2 1 44 TYR QD . . 3.800 3.243 3.018 3.367 . 0 0 "[ . 1 . 2]" 1
653 1 36 LEU MD2 1 44 TYR QE . . 3.790 2.770 2.326 3.737 . 0 0 "[ . 1 . 2]" 1
654 1 36 LEU MD2 1 58 GLN HA . . 4.200 3.578 2.821 3.856 . 0 0 "[ . 1 . 2]" 1
655 1 36 LEU MD2 1 59 ASP H . . 4.110 3.255 2.117 3.794 . 0 0 "[ . 1 . 2]" 1
656 1 36 LEU MD2 1 59 ASP HA . . 4.940 4.077 3.560 4.483 . 0 0 "[ . 1 . 2]" 1
657 1 36 LEU MD2 1 59 ASP HB2 . . 4.240 3.112 2.437 4.201 . 0 0 "[ . 1 . 2]" 1
658 1 36 LEU MD2 1 59 ASP QB . . 3.520 2.823 2.412 3.355 . 0 0 "[ . 1 . 2]" 1
659 1 36 LEU MD2 1 59 ASP HB3 . . 4.240 3.864 2.433 4.239 . 0 0 "[ . 1 . 2]" 1
660 1 36 LEU MD2 1 63 HIS QB . . 4.600 3.312 2.616 3.881 . 0 0 "[ . 1 . 2]" 1
661 1 36 LEU MD2 1 64 GLU H . . 4.620 4.365 3.921 4.619 . 0 0 "[ . 1 . 2]" 1
662 1 36 LEU MD2 1 64 GLU HA . . 3.920 2.603 2.046 3.065 . 0 0 "[ . 1 . 2]" 1
663 1 36 LEU MD2 1 65 GLY H . . 4.280 3.386 2.936 3.909 . 0 0 "[ . 1 . 2]" 1
664 1 36 LEU MD2 1 65 GLY HA3 . . 4.590 3.874 3.684 4.183 . 0 0 "[ . 1 . 2]" 1
665 1 36 LEU HG 1 37 ALA H . . 3.460 2.262 2.003 2.421 . 0 0 "[ . 1 . 2]" 1
666 1 36 LEU HG 1 44 TYR QE . . 5.260 4.499 4.055 4.852 . 0 0 "[ . 1 . 2]" 1
667 1 37 ALA H 1 37 ALA MB . . 2.860 2.281 2.170 2.367 . 0 0 "[ . 1 . 2]" 1
668 1 37 ALA H 1 38 LEU H . . 4.670 4.270 4.175 4.480 . 0 0 "[ . 1 . 2]" 1
669 1 37 ALA HA 1 38 LEU H . . 3.060 2.168 2.144 2.190 . 0 0 "[ . 1 . 2]" 1
670 1 37 ALA MB 1 38 LEU H . . 3.480 3.400 3.071 3.480 . 0 0 "[ . 1 . 2]" 1
671 1 37 ALA MB 1 38 LEU HA . . 4.730 4.454 4.266 4.553 . 0 0 "[ . 1 . 2]" 1
672 1 38 LEU H 1 38 LEU HB2 . . 3.850 2.368 2.169 2.479 . 0 0 "[ . 1 . 2]" 1
673 1 38 LEU H 1 38 LEU HB3 . . 4.190 3.574 3.485 3.652 . 0 0 "[ . 1 . 2]" 1
674 1 38 LEU H 1 38 LEU MD1 . . 4.230 3.586 3.282 3.934 . 0 0 "[ . 1 . 2]" 1
675 1 38 LEU H 1 38 LEU QD . . 3.580 3.211 3.065 3.362 . 0 0 "[ . 1 . 2]" 1
676 1 38 LEU H 1 38 LEU MD2 . . 4.230 3.656 3.271 3.964 . 0 0 "[ . 1 . 2]" 1
677 1 38 LEU H 1 38 LEU HG . . 4.060 2.546 2.341 2.958 . 0 0 "[ . 1 . 2]" 1
678 1 38 LEU H 1 67 VAL MG1 . . 4.360 3.147 2.816 3.639 . 0 0 "[ . 1 . 2]" 1
679 1 38 LEU HA 1 38 LEU MD1 . . 3.990 3.866 3.794 3.919 . 0 0 "[ . 1 . 2]" 1
680 1 38 LEU HA 1 38 LEU QD . . 3.010 2.126 1.966 2.299 . 0 0 "[ . 1 . 2]" 1
681 1 38 LEU HA 1 38 LEU MD2 . . 3.990 2.136 1.972 2.315 . 0 0 "[ . 1 . 2]" 1
682 1 38 LEU HA 1 39 ARG H . . 3.110 2.399 2.224 2.636 . 0 0 "[ . 1 . 2]" 1
683 1 38 LEU HA 1 44 TYR QE . . 4.340 3.480 3.244 3.827 . 0 0 "[ . 1 . 2]" 1
684 1 38 LEU HB2 1 38 LEU MD1 . . 3.600 2.304 2.228 2.411 . 0 0 "[ . 1 . 2]" 1
685 1 38 LEU HB2 1 38 LEU QD . . 3.000 2.252 2.187 2.343 . 0 0 "[ . 1 . 2]" 1
686 1 38 LEU HB2 1 38 LEU MD2 . . 3.600 3.178 3.159 3.195 . 0 0 "[ . 1 . 2]" 1
687 1 38 LEU HB2 1 39 ARG H . . 4.250 3.705 3.198 4.201 . 0 0 "[ . 1 . 2]" 1
688 1 38 LEU HB2 1 71 TYR QD . . 4.790 3.517 3.153 3.811 . 0 0 "[ . 1 . 2]" 1
689 1 38 LEU HB2 1 71 TYR QE . . 5.420 4.950 4.650 5.199 . 0 0 "[ . 1 . 2]" 1
690 1 38 LEU HB3 1 38 LEU MD1 . . 3.370 2.407 2.283 2.520 . 0 0 "[ . 1 . 2]" 1
691 1 38 LEU HB3 1 38 LEU MD2 . . 3.370 2.279 2.178 2.432 . 0 0 "[ . 1 . 2]" 1
692 1 38 LEU HB3 1 39 ARG H . . 3.880 2.451 1.958 3.011 . 0 0 "[ . 1 . 2]" 1
693 1 38 LEU HB3 1 44 TYR QE . . 4.810 3.796 3.236 4.324 . 0 0 "[ . 1 . 2]" 1
694 1 38 LEU QD 1 39 ARG H . . 3.760 2.995 2.648 3.345 . 0 0 "[ . 1 . 2]" 1
695 1 38 LEU QD 1 44 TYR HB2 . . 4.470 3.564 3.364 3.934 . 0 0 "[ . 1 . 2]" 1
696 1 38 LEU QD 1 44 TYR HB3 . . 4.310 3.794 3.524 3.996 . 0 0 "[ . 1 . 2]" 1
697 1 38 LEU QD 1 44 TYR QD . . 3.930 3.008 2.714 3.257 . 0 0 "[ . 1 . 2]" 1
698 1 38 LEU QD 1 44 TYR QE . . 3.530 2.860 2.603 3.238 . 0 0 "[ . 1 . 2]" 1
699 1 38 LEU QD 1 57 VAL MG1 . . 4.550 3.623 3.293 3.877 . 0 0 "[ . 1 . 2]" 1
700 1 38 LEU QD 1 57 VAL MG2 . . 3.480 2.451 2.118 2.719 . 0 0 "[ . 1 . 2]" 1
701 1 38 LEU QD 1 67 VAL HB . . 4.330 2.087 1.945 2.375 . 0 0 "[ . 1 . 2]" 1
702 1 38 LEU QD 1 67 VAL MG1 . . 3.000 2.220 1.952 2.569 . 0 0 "[ . 1 . 2]" 1
703 1 38 LEU QD 1 67 VAL MG2 . . 3.400 2.162 1.913 2.469 . 0 0 "[ . 1 . 2]" 1
704 1 38 LEU QD 1 71 TYR HB2 . . 3.790 2.448 2.150 2.656 . 0 0 "[ . 1 . 2]" 1
705 1 38 LEU QD 1 71 TYR HB3 . . 3.740 2.486 2.080 2.730 . 0 0 "[ . 1 . 2]" 1
706 1 38 LEU QD 1 71 TYR QD . . 3.580 3.153 2.764 3.398 . 0 0 "[ . 1 . 2]" 1
707 1 38 LEU QD 1 72 LEU MD1 . . 4.340 2.892 2.616 3.076 . 0 0 "[ . 1 . 2]" 1
708 1 38 LEU QD 1 72 LEU MD2 . . 3.380 1.851 1.691 2.014 . 0 0 "[ . 1 . 2]" 1
709 1 38 LEU MD1 1 39 ARG H . . 4.730 4.428 3.966 4.730 . 0 0 "[ . 1 . 2]" 1
710 1 38 LEU MD2 1 39 ARG H . . 4.730 3.055 2.662 3.424 . 0 0 "[ . 1 . 2]" 1
711 1 38 LEU HG 1 57 VAL MG2 . . 4.550 4.248 3.892 4.547 . 0 0 "[ . 1 . 2]" 1
712 1 38 LEU HG 1 67 VAL MG1 . . 3.160 1.940 1.844 2.139 . 0 0 "[ . 1 . 2]" 1
713 1 38 LEU HG 1 71 TYR HB2 . . 5.500 5.070 4.740 5.370 . 0 0 "[ . 1 . 2]" 1
714 1 39 ARG H 1 39 ARG HB2 . . 3.820 2.998 2.644 3.364 . 0 0 "[ . 1 . 2]" 1
715 1 39 ARG H 1 39 ARG HB3 . . 3.950 2.697 2.539 2.966 . 0 0 "[ . 1 . 2]" 1
716 1 39 ARG H 1 39 ARG QD . . 4.820 4.559 4.272 4.811 . 0 0 "[ . 1 . 2]" 1
717 1 39 ARG H 1 39 ARG HG2 . . 4.990 4.723 4.384 4.968 . 0 0 "[ . 1 . 2]" 1
718 1 39 ARG H 1 39 ARG QG . . 4.310 4.099 3.995 4.226 . 0 0 "[ . 1 . 2]" 1
719 1 39 ARG H 1 39 ARG HG3 . . 4.990 4.521 4.341 4.954 . 0 0 "[ . 1 . 2]" 1
720 1 39 ARG H 1 40 ARG H . . 4.730 4.434 4.331 4.537 . 0 0 "[ . 1 . 2]" 1
721 1 39 ARG H 1 42 GLU QB . . 4.030 3.159 2.925 3.437 . 0 0 "[ . 1 . 2]" 1
722 1 39 ARG H 1 44 TYR QE . . 3.990 2.647 2.031 2.956 . 0 0 "[ . 1 . 2]" 1
723 1 39 ARG HA 1 39 ARG QD . . 3.780 2.717 1.991 3.774 . 0 0 "[ . 1 . 2]" 1
724 1 39 ARG HA 1 39 ARG HG2 . . 3.940 3.524 2.206 3.855 . 0 0 "[ . 1 . 2]" 1
725 1 39 ARG HA 1 39 ARG HG3 . . 3.940 2.810 2.265 3.494 . 0 0 "[ . 1 . 2]" 1
726 1 39 ARG HA 1 40 ARG H . . 2.850 2.216 2.158 2.283 . 0 0 "[ . 1 . 2]" 1
727 1 39 ARG HA 1 40 ARG HA . . 4.430 4.326 4.311 4.350 . 0 0 "[ . 1 . 2]" 1
728 1 39 ARG HA 1 40 ARG HB2 . . 4.770 4.532 4.441 4.678 . 0 0 "[ . 1 . 2]" 1
729 1 39 ARG HA 1 40 ARG HB3 . . 4.770 4.713 4.628 4.770 0.000 20 0 "[ . 1 . 2]" 1
730 1 39 ARG HB2 1 39 ARG QD . . 3.460 2.410 2.072 3.222 . 0 0 "[ . 1 . 2]" 1
731 1 39 ARG HB2 1 40 ARG H . . 4.340 4.114 3.969 4.304 . 0 0 "[ . 1 . 2]" 1
732 1 39 ARG HB2 1 42 GLU QB . . 4.090 3.671 3.279 4.042 . 0 0 "[ . 1 . 2]" 1
733 1 39 ARG HB2 1 42 GLU QG . . 4.280 3.269 3.000 3.817 . 0 0 "[ . 1 . 2]" 1
734 1 39 ARG HB2 1 44 TYR QE . . 5.500 4.330 3.829 4.829 . 0 0 "[ . 1 . 2]" 1
735 1 39 ARG HB3 1 39 ARG QD . . 3.900 3.052 2.109 3.496 . 0 0 "[ . 1 . 2]" 1
736 1 39 ARG HB3 1 40 ARG H . . 4.610 3.939 3.639 4.152 . 0 0 "[ . 1 . 2]" 1
737 1 39 ARG HB3 1 42 GLU HA . . 5.500 4.774 4.371 5.131 . 0 0 "[ . 1 . 2]" 1
738 1 39 ARG HB3 1 42 GLU QB . . 3.830 2.125 1.854 2.453 . 0 0 "[ . 1 . 2]" 1
739 1 39 ARG HB3 1 42 GLU HG2 . . 4.340 3.038 2.344 3.753 . 0 0 "[ . 1 . 2]" 1
740 1 39 ARG HB3 1 42 GLU QG . . 3.680 2.056 1.907 2.519 . 0 0 "[ . 1 . 2]" 1
741 1 39 ARG HB3 1 42 GLU HG3 . . 4.340 2.160 2.000 3.595 . 0 0 "[ . 1 . 2]" 1
742 1 39 ARG HB3 1 44 TYR QE . . 3.860 3.324 2.852 3.771 . 0 0 "[ . 1 . 2]" 1
743 1 39 ARG QD 1 40 ARG H . . 4.430 3.111 2.003 4.357 . 0 0 "[ . 1 . 2]" 1
744 1 39 ARG QD 1 42 GLU QG . . 4.010 3.398 1.925 3.978 . 0 0 "[ . 1 . 2]" 1
745 1 39 ARG QG 1 40 ARG H . . 3.420 2.433 2.175 2.824 . 0 0 "[ . 1 . 2]" 1
746 1 39 ARG QG 1 42 GLU QG . . 4.520 2.178 1.815 3.976 . 0 0 "[ . 1 . 2]" 1
747 1 40 ARG H 1 40 ARG HB2 . . 3.550 2.546 2.409 2.671 . 0 0 "[ . 1 . 2]" 1
748 1 40 ARG H 1 40 ARG QB . . 3.040 2.247 2.227 2.255 . 0 0 "[ . 1 . 2]" 1
749 1 40 ARG H 1 40 ARG HB3 . . 3.550 2.510 2.385 2.641 . 0 0 "[ . 1 . 2]" 1
750 1 40 ARG H 1 40 ARG QD . . 4.650 4.441 4.335 4.649 . 0 0 "[ . 1 . 2]" 1
751 1 40 ARG H 1 40 ARG HG2 . . 4.860 4.472 4.390 4.550 . 0 0 "[ . 1 . 2]" 1
752 1 40 ARG H 1 40 ARG HG3 . . 5.210 4.439 4.377 4.494 . 0 0 "[ . 1 . 2]" 1
753 1 40 ARG H 1 41 ASN H . . 4.690 4.562 4.499 4.632 . 0 0 "[ . 1 . 2]" 1
754 1 40 ARG HA 1 40 ARG HG3 . . 3.490 2.481 2.363 2.596 . 0 0 "[ . 1 . 2]" 1
755 1 40 ARG HA 1 41 ASN H . . 2.910 2.171 2.142 2.258 . 0 0 "[ . 1 . 2]" 1
756 1 40 ARG HA 1 41 ASN HA . . 4.460 4.378 4.369 4.404 . 0 0 "[ . 1 . 2]" 1
757 1 40 ARG HA 1 42 GLU H . . 4.200 3.927 3.686 4.113 . 0 0 "[ . 1 . 2]" 1
758 1 40 ARG QB 1 40 ARG QD . . 2.910 2.117 2.032 2.321 . 0 0 "[ . 1 . 2]" 1
759 1 40 ARG QB 1 41 ASN H . . 4.110 3.707 3.499 3.811 . 0 0 "[ . 1 . 2]" 1
760 1 40 ARG HB2 1 41 ASN H . . 4.760 4.184 3.942 4.306 . 0 0 "[ . 1 . 2]" 1
761 1 40 ARG HB3 1 41 ASN H . . 4.760 4.141 3.827 4.278 . 0 0 "[ . 1 . 2]" 1
762 1 40 ARG HG2 1 41 ASN HA . . 5.250 4.464 4.092 4.769 . 0 0 "[ . 1 . 2]" 1
763 1 40 ARG HG2 1 41 ASN HB2 . . 4.730 3.506 2.750 4.450 . 0 0 "[ . 1 . 2]" 1
764 1 40 ARG HG2 1 41 ASN QB . . 4.060 3.244 2.724 3.950 . 0 0 "[ . 1 . 2]" 1
765 1 40 ARG HG2 1 41 ASN HB3 . . 4.730 4.370 2.779 4.683 . 0 0 "[ . 1 . 2]" 1
766 1 40 ARG HG2 1 41 ASN HD21 . . 4.610 3.102 1.903 4.119 . 0 0 "[ . 1 . 2]" 1
767 1 40 ARG HG2 1 41 ASN HD22 . . 4.610 3.088 2.180 4.263 . 0 0 "[ . 1 . 2]" 1
768 1 40 ARG HG3 1 41 ASN H . . 3.930 2.794 2.296 3.237 . 0 0 "[ . 1 . 2]" 1
769 1 40 ARG HG3 1 41 ASN HA . . 5.500 4.556 4.188 5.063 . 0 0 "[ . 1 . 2]" 1
770 1 41 ASN H 1 42 GLU H . . 3.550 2.751 2.504 3.055 . 0 0 "[ . 1 . 2]" 1
771 1 41 ASN HA 1 42 GLU HA . . 4.950 4.383 4.348 4.426 . 0 0 "[ . 1 . 2]" 1
772 1 41 ASN QB 1 41 ASN QD . . 3.010 2.207 2.063 2.660 . 0 0 "[ . 1 . 2]" 1
773 1 41 ASN HB2 1 42 GLU H . . 4.860 4.334 4.190 4.450 . 0 0 "[ . 1 . 2]" 1
774 1 41 ASN HB3 1 42 GLU H . . 4.860 4.458 4.338 4.655 . 0 0 "[ . 1 . 2]" 1
775 1 42 GLU H 1 42 GLU QB . . 2.960 2.576 2.418 2.678 . 0 0 "[ . 1 . 2]" 1
776 1 42 GLU H 1 42 GLU QG . . 3.750 3.558 3.393 3.791 0.041 13 0 "[ . 1 . 2]" 1
777 1 42 GLU H 1 43 GLU H . . 4.510 4.302 4.176 4.457 . 0 0 "[ . 1 . 2]" 1
778 1 42 GLU H 1 44 TYR QE . . 4.210 3.772 3.511 4.062 . 0 0 "[ . 1 . 2]" 1
779 1 42 GLU HA 1 42 GLU HG2 . . 3.890 2.808 2.200 3.943 0.053 13 0 "[ . 1 . 2]" 1
780 1 42 GLU HA 1 42 GLU HG3 . . 3.890 3.584 3.187 3.667 . 0 0 "[ . 1 . 2]" 1
781 1 42 GLU HA 1 43 GLU H . . 2.990 2.183 2.141 2.247 . 0 0 "[ . 1 . 2]" 1
782 1 42 GLU HA 1 43 GLU QB . . 4.740 4.381 4.223 4.560 . 0 0 "[ . 1 . 2]" 1
783 1 42 GLU QB 1 43 GLU H . . 3.470 3.146 2.939 3.470 . 0 0 "[ . 1 . 2]" 1
784 1 42 GLU QB 1 44 TYR QE . . 3.360 2.080 1.822 2.459 . 0 0 "[ . 1 . 2]" 1
785 1 42 GLU HB2 1 44 TYR QE . . 3.980 2.383 2.005 3.982 0.002 13 0 "[ . 1 . 2]" 1
786 1 42 GLU HB3 1 44 TYR QE . . 3.980 2.348 2.092 2.815 . 0 0 "[ . 1 . 2]" 1
787 1 42 GLU QG 1 44 TYR QE . . 4.100 3.744 2.294 4.056 . 0 0 "[ . 1 . 2]" 1
788 1 42 GLU HG2 1 44 TYR QE . . 4.850 4.523 2.779 4.841 . 0 0 "[ . 1 . 2]" 1
789 1 42 GLU HG3 1 44 TYR QE . . 4.850 3.997 2.444 4.424 . 0 0 "[ . 1 . 2]" 1
790 1 43 GLU H 1 43 GLU QB . . 3.300 2.379 2.218 2.595 . 0 0 "[ . 1 . 2]" 1
791 1 43 GLU H 1 43 GLU HG2 . . 4.130 3.962 3.701 4.098 . 0 0 "[ . 1 . 2]" 1
792 1 43 GLU H 1 43 GLU QG . . 3.390 2.857 2.557 3.164 . 0 0 "[ . 1 . 2]" 1
793 1 43 GLU H 1 43 GLU HG3 . . 4.130 2.937 2.590 3.308 . 0 0 "[ . 1 . 2]" 1
794 1 43 GLU H 1 44 TYR H . . 4.860 4.603 4.579 4.619 . 0 0 "[ . 1 . 2]" 1
795 1 43 GLU HA 1 43 GLU HG2 . . 4.030 3.106 2.530 3.652 . 0 0 "[ . 1 . 2]" 1
796 1 43 GLU HA 1 43 GLU HG3 . . 4.030 2.585 2.375 2.808 . 0 0 "[ . 1 . 2]" 1
797 1 43 GLU HA 1 44 TYR H . . 3.060 2.344 2.286 2.436 . 0 0 "[ . 1 . 2]" 1
798 1 43 GLU HA 1 44 TYR QD . . 4.590 3.098 2.738 3.821 . 0 0 "[ . 1 . 2]" 1
799 1 43 GLU QB 1 44 TYR H . . 3.740 2.549 2.372 2.711 . 0 0 "[ . 1 . 2]" 1
800 1 43 GLU QG 1 44 TYR H . . 4.040 3.774 3.457 4.040 . 0 0 "[ . 1 . 2]" 1
801 1 43 GLU QG 1 75 LYS QD . . 4.570 3.164 2.609 4.506 . 0 0 "[ . 1 . 2]" 1
802 1 44 TYR H 1 44 TYR HB2 . . 3.820 2.843 2.770 2.899 . 0 0 "[ . 1 . 2]" 1
803 1 44 TYR H 1 44 TYR QD . . 3.680 3.198 2.844 3.682 0.002 13 0 "[ . 1 . 2]" 1
804 1 44 TYR H 1 45 CYS H . . 4.760 4.232 4.088 4.415 . 0 0 "[ . 1 . 2]" 1
805 1 44 TYR H 1 72 LEU MD2 . . 5.500 4.534 4.140 5.019 . 0 0 "[ . 1 . 2]" 1
806 1 44 TYR HB2 1 45 CYS H . . 4.380 4.147 3.683 4.320 . 0 0 "[ . 1 . 2]" 1
807 1 44 TYR HB2 1 57 VAL HB . . 3.980 3.569 3.169 3.933 . 0 0 "[ . 1 . 2]" 1
808 1 44 TYR HB2 1 57 VAL MG1 . . 3.970 3.607 3.326 3.902 . 0 0 "[ . 1 . 2]" 1
809 1 44 TYR HB2 1 57 VAL MG2 . . 3.920 3.336 2.863 3.808 . 0 0 "[ . 1 . 2]" 1
810 1 44 TYR HB2 1 72 LEU MD2 . . 4.110 2.755 2.393 3.034 . 0 0 "[ . 1 . 2]" 1
811 1 44 TYR HB3 1 45 CYS H . . 3.800 3.088 2.429 3.359 . 0 0 "[ . 1 . 2]" 1
812 1 44 TYR HB3 1 57 VAL HB . . 3.690 2.378 2.002 2.653 . 0 0 "[ . 1 . 2]" 1
813 1 44 TYR HB3 1 57 VAL MG1 . . 3.890 3.410 3.113 3.682 . 0 0 "[ . 1 . 2]" 1
814 1 44 TYR HB3 1 57 VAL MG2 . . 3.750 2.491 2.040 2.801 . 0 0 "[ . 1 . 2]" 1
815 1 44 TYR HB3 1 58 GLN H . . 4.300 3.420 3.008 3.690 . 0 0 "[ . 1 . 2]" 1
816 1 44 TYR QD 1 45 CYS H . . 4.550 4.008 3.697 4.296 . 0 0 "[ . 1 . 2]" 1
817 1 44 TYR QD 1 57 VAL HB . . 4.410 3.780 3.440 4.116 . 0 0 "[ . 1 . 2]" 1
818 1 44 TYR QD 1 57 VAL MG1 . . 4.820 4.567 4.297 4.785 . 0 0 "[ . 1 . 2]" 1
819 1 44 TYR QD 1 57 VAL MG2 . . 3.760 2.681 2.004 3.183 . 0 0 "[ . 1 . 2]" 1
820 1 44 TYR QD 1 59 ASP H . . 4.830 3.602 3.197 3.868 . 0 0 "[ . 1 . 2]" 1
821 1 44 TYR QD 1 59 ASP HA . . 3.620 2.257 1.999 2.735 . 0 0 "[ . 1 . 2]" 1
822 1 44 TYR QD 1 59 ASP QB . . 3.810 3.266 2.821 3.807 . 0 0 "[ . 1 . 2]" 1
823 1 44 TYR QD 1 60 ARG H . . 4.950 4.449 3.788 4.894 . 0 0 "[ . 1 . 2]" 1
824 1 44 TYR QD 1 72 LEU MD2 . . 4.130 3.354 2.881 3.649 . 0 0 "[ . 1 . 2]" 1
825 1 44 TYR QE 1 57 VAL MG2 . . 4.580 4.059 3.646 4.472 . 0 0 "[ . 1 . 2]" 1
826 1 44 TYR QE 1 59 ASP HA . . 4.210 2.787 2.259 3.224 . 0 0 "[ . 1 . 2]" 1
827 1 44 TYR QE 1 59 ASP HB2 . . 3.880 2.435 2.004 3.880 0.000 12 0 "[ . 1 . 2]" 1
828 1 44 TYR QE 1 59 ASP QB . . 3.360 2.154 1.993 2.676 . 0 0 "[ . 1 . 2]" 1
829 1 44 TYR QE 1 59 ASP HB3 . . 3.880 3.478 2.005 3.876 . 0 0 "[ . 1 . 2]" 1
830 1 44 TYR QE 1 60 ARG H . . 4.610 4.202 3.507 4.572 . 0 0 "[ . 1 . 2]" 1
831 1 44 TYR QE 1 72 LEU MD2 . . 5.500 4.400 3.942 4.753 . 0 0 "[ . 1 . 2]" 1
832 1 45 CYS H 1 45 CYS HB2 . . 4.040 2.755 2.200 3.581 . 0 0 "[ . 1 . 2]" 1
833 1 45 CYS H 1 45 CYS QB . . 3.380 2.333 2.178 2.926 . 0 0 "[ . 1 . 2]" 1
834 1 45 CYS H 1 45 CYS HB3 . . 4.040 2.696 2.296 3.508 . 0 0 "[ . 1 . 2]" 1
835 1 45 CYS H 1 47 LEU QD . . 5.210 5.120 4.907 5.206 . 0 0 "[ . 1 . 2]" 1
836 1 45 CYS H 1 57 VAL HB . . 4.560 3.924 3.289 4.221 . 0 0 "[ . 1 . 2]" 1
837 1 45 CYS H 1 57 VAL MG2 . . 5.160 4.696 4.150 5.112 . 0 0 "[ . 1 . 2]" 1
838 1 45 CYS H 1 58 GLN H . . 3.730 3.249 2.739 3.681 . 0 0 "[ . 1 . 2]" 1
839 1 45 CYS H 1 58 GLN QB . . 5.040 3.905 3.703 4.343 . 0 0 "[ . 1 . 2]" 1
840 1 45 CYS HA 1 46 LEU H . . 3.040 2.156 2.139 2.191 . 0 0 "[ . 1 . 2]" 1
841 1 45 CYS HA 1 46 LEU HA . . 5.310 4.381 4.350 4.453 . 0 0 "[ . 1 . 2]" 1
842 1 45 CYS HA 1 46 LEU QB . . 4.710 4.052 4.016 4.080 . 0 0 "[ . 1 . 2]" 1
843 1 45 CYS QB 1 47 LEU QD . . 4.090 3.564 3.143 3.993 . 0 0 "[ . 1 . 2]" 1
844 1 45 CYS QB 1 58 GLN H . . 4.400 3.555 3.088 4.354 . 0 0 "[ . 1 . 2]" 1
845 1 45 CYS QB 1 58 GLN QB . . 3.670 3.011 2.599 3.671 0.001 13 0 "[ . 1 . 2]" 1
846 1 46 LEU H 1 46 LEU HB2 . . 3.420 2.595 2.230 2.840 . 0 0 "[ . 1 . 2]" 1
847 1 46 LEU H 1 46 LEU HB3 . . 3.420 2.481 2.285 2.836 . 0 0 "[ . 1 . 2]" 1
848 1 46 LEU H 1 46 LEU MD1 . . 4.390 4.130 3.907 4.277 . 0 0 "[ . 1 . 2]" 1
849 1 46 LEU H 1 46 LEU QD . . 3.840 3.712 3.607 3.779 . 0 0 "[ . 1 . 2]" 1
850 1 46 LEU H 1 46 LEU MD2 . . 4.390 4.212 4.128 4.292 . 0 0 "[ . 1 . 2]" 1
851 1 46 LEU H 1 46 LEU HG . . 4.900 4.411 4.239 4.558 . 0 0 "[ . 1 . 2]" 1
852 1 46 LEU HA 1 46 LEU MD1 . . 4.010 2.353 1.999 3.735 . 0 0 "[ . 1 . 2]" 1
853 1 46 LEU HA 1 46 LEU QD . . 3.060 2.232 1.993 2.641 . 0 0 "[ . 1 . 2]" 1
854 1 46 LEU HA 1 46 LEU MD2 . . 4.010 3.786 2.700 3.968 . 0 0 "[ . 1 . 2]" 1
855 1 46 LEU HA 1 47 LEU H . . 3.270 2.157 2.139 2.193 . 0 0 "[ . 1 . 2]" 1
856 1 46 LEU HA 1 47 LEU QB . . 5.340 4.375 4.275 4.472 . 0 0 "[ . 1 . 2]" 1
857 1 46 LEU HA 1 48 ASP H . . 4.530 4.329 4.153 4.524 . 0 0 "[ . 1 . 2]" 1
858 1 46 LEU HA 1 57 VAL HA . . 3.760 2.605 2.232 3.122 . 0 0 "[ . 1 . 2]" 1
859 1 46 LEU HA 1 57 VAL HB . . 4.570 3.251 2.610 3.718 . 0 0 "[ . 1 . 2]" 1
860 1 46 LEU HA 1 57 VAL MG1 . . 3.200 2.154 1.973 2.406 . 0 0 "[ . 1 . 2]" 1
861 1 46 LEU HA 1 58 GLN H . . 4.800 4.019 3.420 4.567 . 0 0 "[ . 1 . 2]" 1
862 1 46 LEU QB 1 46 LEU QD . . 2.830 1.900 1.821 1.949 . 0 0 "[ . 1 . 2]" 1
863 1 46 LEU QD 1 47 LEU H . . 3.390 2.741 2.381 3.239 . 0 0 "[ . 1 . 2]" 1
864 1 46 LEU QD 1 48 ASP H . . 3.590 3.035 2.376 3.487 . 0 0 "[ . 1 . 2]" 1
865 1 46 LEU QD 1 48 ASP QB . . 4.990 4.474 3.935 4.848 . 0 0 "[ . 1 . 2]" 1
866 1 46 LEU QD 1 49 SER HA . . 3.740 3.117 2.716 3.658 . 0 0 "[ . 1 . 2]" 1
867 1 46 LEU QD 1 49 SER QB . . 2.950 2.343 1.867 2.946 . 0 0 "[ . 1 . 2]" 1
868 1 46 LEU QD 1 55 TRP HA . . 4.410 3.933 3.714 4.300 . 0 0 "[ . 1 . 2]" 1
869 1 46 LEU QD 1 55 TRP HB2 . . 5.210 3.779 3.426 4.298 . 0 0 "[ . 1 . 2]" 1
870 1 46 LEU QD 1 55 TRP HB3 . . 3.170 2.545 2.248 3.151 . 0 0 "[ . 1 . 2]" 1
871 1 46 LEU QD 1 55 TRP HD1 . . 5.060 4.384 4.052 4.728 . 0 0 "[ . 1 . 2]" 1
872 1 46 LEU QD 1 55 TRP HE1 . . 5.350 4.620 4.201 4.858 . 0 0 "[ . 1 . 2]" 1
873 1 46 LEU QD 1 55 TRP HE3 . . 3.250 2.640 2.015 3.216 . 0 0 "[ . 1 . 2]" 1
874 1 46 LEU QD 1 55 TRP HH2 . . 5.000 3.993 3.512 4.387 . 0 0 "[ . 1 . 2]" 1
875 1 46 LEU QD 1 55 TRP HZ2 . . 5.440 4.397 3.889 4.694 . 0 0 "[ . 1 . 2]" 1
876 1 46 LEU QD 1 55 TRP HZ3 . . 3.920 3.261 2.245 3.880 . 0 0 "[ . 1 . 2]" 1
877 1 46 LEU QD 1 56 ARG H . . 3.990 3.250 2.929 3.654 . 0 0 "[ . 1 . 2]" 1
878 1 46 LEU QD 1 57 VAL HA . . 4.200 3.525 3.016 4.054 . 0 0 "[ . 1 . 2]" 1
879 1 46 LEU QD 1 57 VAL MG1 . . 4.390 2.166 1.785 3.099 . 0 0 "[ . 1 . 2]" 1
880 1 46 LEU QD 1 72 LEU MD1 . . 4.600 3.181 2.741 3.695 . 0 0 "[ . 1 . 2]" 1
881 1 46 LEU MD1 1 49 SER HA . . 4.480 3.353 2.760 4.467 . 0 0 "[ . 1 . 2]" 1
882 1 46 LEU MD1 1 49 SER HB2 . . 4.460 3.937 3.348 4.367 . 0 0 "[ . 1 . 2]" 1
883 1 46 LEU MD1 1 49 SER HB3 . . 4.460 2.964 2.004 4.199 . 0 0 "[ . 1 . 2]" 1
884 1 46 LEU MD1 1 55 TRP HB3 . . 4.660 2.623 2.259 3.920 . 0 0 "[ . 1 . 2]" 1
885 1 46 LEU MD1 1 55 TRP HE3 . . 4.150 2.712 2.023 3.380 . 0 0 "[ . 1 . 2]" 1
886 1 46 LEU MD1 1 55 TRP HZ3 . . 4.680 3.798 2.250 4.664 . 0 0 "[ . 1 . 2]" 1
887 1 46 LEU MD2 1 49 SER HA . . 4.480 4.104 2.974 4.454 . 0 0 "[ . 1 . 2]" 1
888 1 46 LEU MD2 1 49 SER HB2 . . 4.460 3.690 3.134 4.232 . 0 0 "[ . 1 . 2]" 1
889 1 46 LEU MD2 1 49 SER HB3 . . 4.460 2.679 2.180 4.304 . 0 0 "[ . 1 . 2]" 1
890 1 46 LEU MD2 1 55 TRP HB3 . . 4.660 4.309 3.320 4.648 . 0 0 "[ . 1 . 2]" 1
891 1 46 LEU MD2 1 55 TRP HE3 . . 4.150 3.770 3.102 4.092 . 0 0 "[ . 1 . 2]" 1
892 1 46 LEU MD2 1 55 TRP HZ3 . . 4.680 3.785 2.862 4.673 . 0 0 "[ . 1 . 2]" 1
893 1 46 LEU HG 1 47 LEU H . . 4.250 3.465 2.857 4.042 . 0 0 "[ . 1 . 2]" 1
894 1 46 LEU HG 1 48 ASP H . . 4.840 3.781 3.099 4.605 . 0 0 "[ . 1 . 2]" 1
895 1 46 LEU HG 1 49 SER HA . . 5.500 4.922 4.478 5.316 . 0 0 "[ . 1 . 2]" 1
896 1 46 LEU HG 1 49 SER QB . . 4.560 3.893 3.202 4.560 0.000 13 0 "[ . 1 . 2]" 1
897 1 47 LEU H 1 47 LEU QB . . 3.530 2.403 2.283 2.501 . 0 0 "[ . 1 . 2]" 1
898 1 47 LEU H 1 47 LEU QD . . 4.290 3.212 3.076 3.441 . 0 0 "[ . 1 . 2]" 1
899 1 47 LEU H 1 47 LEU HG . . 3.800 2.516 2.230 2.886 . 0 0 "[ . 1 . 2]" 1
900 1 47 LEU H 1 48 ASP H . . 3.310 2.657 2.368 2.923 . 0 0 "[ . 1 . 2]" 1
901 1 47 LEU H 1 56 ARG QD . . 5.500 5.365 4.792 5.502 0.002 17 0 "[ . 1 . 2]" 1
902 1 47 LEU H 1 57 VAL HA . . 3.360 2.096 1.954 2.250 . 0 0 "[ . 1 . 2]" 1
903 1 47 LEU H 1 57 VAL HB . . 4.650 4.121 3.708 4.353 . 0 0 "[ . 1 . 2]" 1
904 1 47 LEU H 1 57 VAL MG1 . . 3.550 3.058 2.701 3.381 . 0 0 "[ . 1 . 2]" 1
905 1 47 LEU H 1 58 GLN H . . 4.190 4.045 3.817 4.190 . 0 0 "[ . 1 . 2]" 1
906 1 47 LEU HA 1 47 LEU MD1 . . 4.130 3.883 3.790 3.946 . 0 0 "[ . 1 . 2]" 1
907 1 47 LEU HA 1 47 LEU QD . . 2.810 2.161 1.978 2.435 . 0 0 "[ . 1 . 2]" 1
908 1 47 LEU HA 1 47 LEU MD2 . . 4.130 2.173 1.984 2.459 . 0 0 "[ . 1 . 2]" 1
909 1 47 LEU HA 1 57 VAL HA . . 4.710 4.589 4.403 4.707 . 0 0 "[ . 1 . 2]" 1
910 1 47 LEU QB 1 48 ASP H . . 3.410 2.137 1.963 2.297 . 0 0 "[ . 1 . 2]" 1
911 1 47 LEU QB 1 48 ASP QB . . 3.880 3.265 3.154 3.521 . 0 0 "[ . 1 . 2]" 1
912 1 47 LEU QB 1 56 ARG QD . . 4.050 3.082 2.357 3.383 . 0 0 "[ . 1 . 2]" 1
913 1 47 LEU QB 1 57 VAL HA . . 4.910 3.302 2.933 3.638 . 0 0 "[ . 1 . 2]" 1
914 1 47 LEU HB2 1 48 ASP H . . 4.140 2.172 1.987 2.336 . 0 0 "[ . 1 . 2]" 1
915 1 47 LEU HB3 1 48 ASP H . . 4.140 3.188 2.964 3.435 . 0 0 "[ . 1 . 2]" 1
916 1 47 LEU QD 1 48 ASP H . . 3.980 3.786 3.631 3.935 . 0 0 "[ . 1 . 2]" 1
917 1 47 LEU QD 1 48 ASP QB . . 5.440 4.298 4.160 4.534 . 0 0 "[ . 1 . 2]" 1
918 1 47 LEU QD 1 56 ARG QD . . 3.980 3.067 2.262 3.502 . 0 0 "[ . 1 . 2]" 1
919 1 47 LEU QD 1 57 VAL H . . 4.660 3.734 3.120 4.246 . 0 0 "[ . 1 . 2]" 1
920 1 47 LEU QD 1 57 VAL HA . . 4.290 3.108 2.618 3.408 . 0 0 "[ . 1 . 2]" 1
921 1 47 LEU QD 1 58 GLN H . . 4.060 3.338 2.723 3.648 . 0 0 "[ . 1 . 2]" 1
922 1 47 LEU QD 1 58 GLN HA . . 4.480 3.227 2.941 3.570 . 0 0 "[ . 1 . 2]" 1
923 1 47 LEU QD 1 58 GLN QB . . 2.990 1.959 1.778 2.160 . 0 0 "[ . 1 . 2]" 1
924 1 47 LEU QD 1 58 GLN QE . . 3.690 2.692 2.135 3.418 . 0 0 "[ . 1 . 2]" 1
925 1 47 LEU QD 1 58 GLN QG . . 4.050 3.341 2.903 3.760 . 0 0 "[ . 1 . 2]" 1
926 1 47 LEU QD 1 64 GLU QB . . 3.050 2.300 1.897 2.991 . 0 0 "[ . 1 . 2]" 1
927 1 47 LEU QD 1 64 GLU QG . . 3.610 2.378 1.812 3.121 . 0 0 "[ . 1 . 2]" 1
928 1 47 LEU QD 1 65 GLY H . . 4.840 3.871 3.346 4.458 . 0 0 "[ . 1 . 2]" 1
929 1 47 LEU MD1 1 48 ASP H . . 5.230 4.056 3.845 4.276 . 0 0 "[ . 1 . 2]" 1
930 1 47 LEU MD1 1 56 ARG QD . . 5.500 3.101 2.273 3.548 . 0 0 "[ . 1 . 2]" 1
931 1 47 LEU MD1 1 58 GLN H . . 4.910 3.614 2.745 4.138 . 0 0 "[ . 1 . 2]" 1
932 1 47 LEU MD1 1 58 GLN HB2 . . 4.760 2.120 1.840 2.345 . 0 0 "[ . 1 . 2]" 1
933 1 47 LEU MD1 1 58 GLN HB3 . . 4.760 3.422 2.928 3.831 . 0 0 "[ . 1 . 2]" 1
934 1 47 LEU MD1 1 58 GLN HE21 . . 4.760 3.105 2.432 4.209 . 0 0 "[ . 1 . 2]" 1
935 1 47 LEU MD1 1 58 GLN HE22 . . 4.760 3.843 2.830 4.607 . 0 0 "[ . 1 . 2]" 1
936 1 47 LEU MD1 1 58 GLN HG2 . . 5.500 4.583 4.211 4.873 . 0 0 "[ . 1 . 2]" 1
937 1 47 LEU MD1 1 58 GLN HG3 . . 5.500 3.779 3.114 4.405 . 0 0 "[ . 1 . 2]" 1
938 1 47 LEU MD2 1 48 ASP H . . 5.230 4.546 4.461 4.669 . 0 0 "[ . 1 . 2]" 1
939 1 47 LEU MD2 1 56 ARG QD . . 5.500 4.903 4.076 5.395 . 0 0 "[ . 1 . 2]" 1
940 1 47 LEU MD2 1 58 GLN H . . 4.910 4.039 3.552 4.620 . 0 0 "[ . 1 . 2]" 1
941 1 47 LEU MD2 1 58 GLN HB2 . . 4.760 2.592 2.166 3.239 . 0 0 "[ . 1 . 2]" 1
942 1 47 LEU MD2 1 58 GLN HB3 . . 4.760 2.962 2.543 3.605 . 0 0 "[ . 1 . 2]" 1
943 1 47 LEU MD2 1 58 GLN HE21 . . 4.760 3.561 2.305 4.612 . 0 0 "[ . 1 . 2]" 1
944 1 47 LEU MD2 1 58 GLN HE22 . . 4.760 3.563 2.804 4.349 . 0 0 "[ . 1 . 2]" 1
945 1 47 LEU MD2 1 58 GLN HG2 . . 5.500 4.554 4.174 5.274 . 0 0 "[ . 1 . 2]" 1
946 1 47 LEU MD2 1 58 GLN HG3 . . 5.500 4.402 3.891 5.046 . 0 0 "[ . 1 . 2]" 1
947 1 47 LEU HG 1 57 VAL HA . . 3.920 2.578 2.192 3.156 . 0 0 "[ . 1 . 2]" 1
948 1 47 LEU HG 1 58 GLN H . . 4.370 3.142 2.758 3.400 . 0 0 "[ . 1 . 2]" 1
949 1 48 ASP H 1 48 ASP QB . . 3.550 2.705 2.572 2.913 . 0 0 "[ . 1 . 2]" 1
950 1 48 ASP H 1 56 ARG H . . 3.700 3.538 3.304 3.699 . 0 0 "[ . 1 . 2]" 1
951 1 48 ASP H 1 56 ARG QB . . 3.670 2.196 1.959 2.536 . 0 0 "[ . 1 . 2]" 1
952 1 48 ASP H 1 57 VAL HA . . 4.590 4.177 3.897 4.400 . 0 0 "[ . 1 . 2]" 1
953 1 48 ASP H 1 57 VAL MG1 . . 4.840 4.398 4.164 4.685 . 0 0 "[ . 1 . 2]" 1
954 1 48 ASP HA 1 49 SER H . . 3.400 2.217 2.139 2.374 . 0 0 "[ . 1 . 2]" 1
955 1 48 ASP QB 1 49 SER H . . 4.110 3.355 2.713 3.796 . 0 0 "[ . 1 . 2]" 1
956 1 48 ASP QB 1 50 SER H . . 4.610 3.079 2.528 3.711 . 0 0 "[ . 1 . 2]" 1
957 1 48 ASP QB 1 56 ARG H . . 4.480 4.197 3.926 4.476 . 0 0 "[ . 1 . 2]" 1
958 1 48 ASP QB 1 56 ARG HB2 . . 3.720 3.443 3.131 3.702 . 0 0 "[ . 1 . 2]" 1
959 1 48 ASP QB 1 56 ARG QB . . 3.240 2.623 2.314 2.856 . 0 0 "[ . 1 . 2]" 1
960 1 48 ASP QB 1 56 ARG HB3 . . 3.720 2.726 2.370 3.003 . 0 0 "[ . 1 . 2]" 1
961 1 48 ASP QB 1 56 ARG HG3 . . 5.500 4.955 4.668 5.289 . 0 0 "[ . 1 . 2]" 1
962 1 49 SER H 1 50 SER H . . 3.600 2.813 2.528 3.074 . 0 0 "[ . 1 . 2]" 1
963 1 49 SER HA 1 51 GLU H . . 3.990 3.634 3.288 3.966 . 0 0 "[ . 1 . 2]" 1
964 1 49 SER HA 1 55 TRP HA . . 4.150 3.120 2.621 3.509 . 0 0 "[ . 1 . 2]" 1
965 1 49 SER HA 1 55 TRP HD1 . . 3.770 3.075 2.851 3.467 . 0 0 "[ . 1 . 2]" 1
966 1 49 SER HA 1 55 TRP HE1 . . 4.370 3.863 3.616 4.164 . 0 0 "[ . 1 . 2]" 1
967 1 49 SER HA 1 56 ARG H . . 4.530 3.235 2.629 3.594 . 0 0 "[ . 1 . 2]" 1
968 1 49 SER QB 1 55 TRP HD1 . . 4.440 3.650 3.101 4.142 . 0 0 "[ . 1 . 2]" 1
969 1 49 SER QB 1 55 TRP HE1 . . 3.670 2.716 2.330 3.339 . 0 0 "[ . 1 . 2]" 1
970 1 49 SER QB 1 55 TRP HZ2 . . 4.220 3.530 3.033 3.948 . 0 0 "[ . 1 . 2]" 1
971 1 49 SER HB2 1 55 TRP HD1 . . 5.270 4.043 3.276 4.899 . 0 0 "[ . 1 . 2]" 1
972 1 49 SER HB2 1 55 TRP HZ2 . . 4.890 3.830 3.116 4.778 . 0 0 "[ . 1 . 2]" 1
973 1 49 SER HB3 1 55 TRP HD1 . . 5.270 4.506 3.143 5.081 . 0 0 "[ . 1 . 2]" 1
974 1 49 SER HB3 1 55 TRP HZ2 . . 4.890 4.435 3.632 4.826 . 0 0 "[ . 1 . 2]" 1
975 1 50 SER H 1 50 SER QB . . 3.210 2.326 2.145 2.700 . 0 0 "[ . 1 . 2]" 1
976 1 50 SER H 1 51 GLU H . . 3.370 2.973 2.745 3.116 . 0 0 "[ . 1 . 2]" 1
977 1 50 SER QB 1 51 GLU H . . 3.810 2.586 2.197 3.332 . 0 0 "[ . 1 . 2]" 1
978 1 51 GLU H 1 51 GLU QB . . 3.060 2.270 2.168 2.488 . 0 0 "[ . 1 . 2]" 1
979 1 51 GLU H 1 51 GLU HG2 . . 4.420 3.692 2.969 4.371 . 0 0 "[ . 1 . 2]" 1
980 1 51 GLU H 1 51 GLU QG . . 3.690 3.229 2.830 3.681 . 0 0 "[ . 1 . 2]" 1
981 1 51 GLU H 1 51 GLU HG3 . . 4.420 3.883 2.891 4.401 . 0 0 "[ . 1 . 2]" 1
982 1 51 GLU H 1 52 ILE H . . 4.640 4.499 4.423 4.583 . 0 0 "[ . 1 . 2]" 1
983 1 51 GLU H 1 55 TRP HD1 . . 4.180 3.594 3.177 3.868 . 0 0 "[ . 1 . 2]" 1
984 1 51 GLU H 1 55 TRP HE1 . . 5.210 4.809 4.361 5.126 . 0 0 "[ . 1 . 2]" 1
985 1 51 GLU QB 1 52 ILE H . . 3.420 2.137 1.949 2.456 . 0 0 "[ . 1 . 2]" 1
986 1 51 GLU QB 1 53 HIS H . . 4.290 3.221 2.951 3.620 . 0 0 "[ . 1 . 2]" 1
987 1 51 GLU QB 1 54 TRP H . . 3.540 2.410 2.211 2.606 . 0 0 "[ . 1 . 2]" 1
988 1 51 GLU QB 1 55 TRP HD1 . . 4.910 3.513 3.326 4.031 . 0 0 "[ . 1 . 2]" 1
989 1 51 GLU HB2 1 54 TRP H . . 4.060 3.388 2.961 3.790 . 0 0 "[ . 1 . 2]" 1
990 1 51 GLU HB3 1 54 TRP H . . 4.060 2.477 2.250 2.703 . 0 0 "[ . 1 . 2]" 1
991 1 51 GLU QG 1 52 ILE H . . 3.980 3.614 3.155 3.937 . 0 0 "[ . 1 . 2]" 1
992 1 52 ILE H 1 52 ILE HB . . 3.190 2.560 2.510 2.609 . 0 0 "[ . 1 . 2]" 1
993 1 52 ILE H 1 52 ILE MD . . 4.090 3.645 1.872 4.071 . 0 0 "[ . 1 . 2]" 1
994 1 52 ILE H 1 52 ILE HG12 . . 3.950 3.878 3.749 3.954 0.004 17 0 "[ . 1 . 2]" 1
995 1 52 ILE H 1 52 ILE HG13 . . 3.380 2.619 2.389 3.061 . 0 0 "[ . 1 . 2]" 1
996 1 52 ILE H 1 52 ILE MG . . 3.840 3.814 3.781 3.840 0.000 8 0 "[ . 1 . 2]" 1
997 1 52 ILE H 1 53 HIS H . . 3.660 2.351 2.129 2.797 . 0 0 "[ . 1 . 2]" 1
998 1 52 ILE H 1 54 TRP H . . 4.700 3.365 3.091 3.737 . 0 0 "[ . 1 . 2]" 1
999 1 52 ILE HA 1 52 ILE MD . . 3.930 3.839 3.391 3.897 . 0 0 "[ . 1 . 2]" 1
1000 1 52 ILE HA 1 52 ILE HG12 . . 3.610 2.675 2.460 3.498 . 0 0 "[ . 1 . 2]" 1
1001 1 52 ILE HA 1 52 ILE HG13 . . 3.820 2.886 2.351 3.067 . 0 0 "[ . 1 . 2]" 1
1002 1 52 ILE HA 1 52 ILE MG . . 3.120 2.341 2.272 2.463 . 0 0 "[ . 1 . 2]" 1
1003 1 52 ILE HA 1 54 TRP H . . 4.900 4.576 4.249 4.890 . 0 0 "[ . 1 . 2]" 1
1004 1 52 ILE HA 1 55 TRP HD1 . . 4.750 3.734 3.492 3.918 . 0 0 "[ . 1 . 2]" 1
1005 1 52 ILE HA 1 55 TRP HE1 . . 3.520 2.325 2.059 2.552 . 0 0 "[ . 1 . 2]" 1
1006 1 52 ILE HB 1 52 ILE MD . . 3.400 2.278 2.137 2.403 . 0 0 "[ . 1 . 2]" 1
1007 1 52 ILE HB 1 53 HIS H . . 3.540 2.289 1.967 2.489 . 0 0 "[ . 1 . 2]" 1
1008 1 52 ILE HB 1 53 HIS HD2 . . 4.480 3.748 3.451 4.056 . 0 0 "[ . 1 . 2]" 1
1009 1 52 ILE HB 1 54 TRP H . . 5.110 4.670 4.432 4.883 . 0 0 "[ . 1 . 2]" 1
1010 1 52 ILE HB 1 55 TRP HE1 . . 5.500 5.324 5.065 5.490 . 0 0 "[ . 1 . 2]" 1
1011 1 52 ILE MD 1 52 ILE MG . . 3.040 2.200 1.976 3.111 0.071 17 0 "[ . 1 . 2]" 1
1012 1 52 ILE MD 1 53 HIS H . . 4.720 4.191 3.520 4.540 . 0 0 "[ . 1 . 2]" 1
1013 1 52 ILE MD 1 53 HIS HE1 . . 4.860 4.707 4.550 4.860 0.000 17 0 "[ . 1 . 2]" 1
1014 1 52 ILE HG12 1 52 ILE MG . . 3.190 2.298 2.074 2.404 . 0 0 "[ . 1 . 2]" 1
1015 1 52 ILE HG12 1 53 HIS H . . 4.950 4.870 4.606 4.941 . 0 0 "[ . 1 . 2]" 1
1016 1 52 ILE HG13 1 52 ILE MG . . 3.400 3.162 2.740 3.201 . 0 0 "[ . 1 . 2]" 1
1017 1 52 ILE HG13 1 53 HIS H . . 4.630 4.159 4.063 4.515 . 0 0 "[ . 1 . 2]" 1
1018 1 52 ILE MG 1 53 HIS H . . 3.970 3.188 2.784 3.323 . 0 0 "[ . 1 . 2]" 1
1019 1 52 ILE MG 1 53 HIS HA . . 4.170 3.397 3.216 3.552 . 0 0 "[ . 1 . 2]" 1
1020 1 52 ILE MG 1 53 HIS HB2 . . 5.210 5.074 4.830 5.150 . 0 0 "[ . 1 . 2]" 1
1021 1 52 ILE MG 1 53 HIS QB . . 4.500 4.452 4.195 4.498 . 0 0 "[ . 1 . 2]" 1
1022 1 52 ILE MG 1 53 HIS HB3 . . 5.210 4.929 4.605 4.991 . 0 0 "[ . 1 . 2]" 1
1023 1 52 ILE MG 1 53 HIS HD2 . . 4.880 4.772 4.607 4.878 . 0 0 "[ . 1 . 2]" 1
1024 1 52 ILE MG 1 53 HIS HE1 . . 4.350 4.087 3.532 4.301 . 0 0 "[ . 1 . 2]" 1
1025 1 52 ILE MG 1 55 TRP HE1 . . 4.960 3.860 3.689 4.004 . 0 0 "[ . 1 . 2]" 1
1026 1 53 HIS H 1 53 HIS HB2 . . 3.680 2.747 2.685 2.867 . 0 0 "[ . 1 . 2]" 1
1027 1 53 HIS H 1 53 HIS QB . . 3.200 2.663 2.615 2.750 . 0 0 "[ . 1 . 2]" 1
1028 1 53 HIS H 1 53 HIS HB3 . . 3.680 3.582 3.537 3.609 . 0 0 "[ . 1 . 2]" 1
1029 1 53 HIS H 1 53 HIS HD2 . . 4.480 2.697 2.417 3.099 . 0 0 "[ . 1 . 2]" 1
1030 1 53 HIS H 1 54 TRP H . . 3.270 2.560 2.423 2.709 . 0 0 "[ . 1 . 2]" 1
1031 1 53 HIS H 1 54 TRP HD1 . . 5.050 4.785 4.556 4.992 . 0 0 "[ . 1 . 2]" 1
1032 1 53 HIS HA 1 53 HIS HD2 . . 4.990 4.613 4.515 4.808 . 0 0 "[ . 1 . 2]" 1
1033 1 53 HIS HA 1 69 SER H . . 4.360 3.754 3.383 3.926 . 0 0 "[ . 1 . 2]" 1
1034 1 53 HIS HA 1 70 SER H . . 5.500 4.573 4.065 4.855 . 0 0 "[ . 1 . 2]" 1
1035 1 53 HIS QB 1 54 TRP H . . 4.390 2.658 2.422 2.895 . 0 0 "[ . 1 . 2]" 1
1036 1 53 HIS QB 1 54 TRP HD1 . . 3.600 3.326 3.028 3.590 . 0 0 "[ . 1 . 2]" 1
1037 1 53 HIS QB 1 54 TRP HE1 . . 4.050 3.642 3.424 3.891 . 0 0 "[ . 1 . 2]" 1
1038 1 53 HIS HD2 1 54 TRP H . . 4.490 4.109 3.848 4.442 . 0 0 "[ . 1 . 2]" 1
1039 1 53 HIS HD2 1 54 TRP HE1 . . 5.360 4.955 4.249 5.287 . 0 0 "[ . 1 . 2]" 1
1040 1 54 TRP H 1 54 TRP HB2 . . 3.300 2.622 2.539 2.709 . 0 0 "[ . 1 . 2]" 1
1041 1 54 TRP H 1 54 TRP HB3 . . 3.780 3.734 3.673 3.781 0.001 1 0 "[ . 1 . 2]" 1
1042 1 54 TRP H 1 54 TRP HD1 . . 3.940 3.311 3.042 3.527 . 0 0 "[ . 1 . 2]" 1
1043 1 54 TRP H 1 55 TRP H . . 4.550 4.330 4.158 4.438 . 0 0 "[ . 1 . 2]" 1
1044 1 54 TRP H 1 69 SER H . . 5.060 4.783 4.572 4.968 . 0 0 "[ . 1 . 2]" 1
1045 1 54 TRP H 1 69 SER HB3 . . 5.370 4.993 4.512 5.352 . 0 0 "[ . 1 . 2]" 1
1046 1 54 TRP HA 1 54 TRP HD1 . . 4.810 4.553 4.468 4.637 . 0 0 "[ . 1 . 2]" 1
1047 1 54 TRP HA 1 54 TRP HE3 . . 4.100 2.488 2.276 2.690 . 0 0 "[ . 1 . 2]" 1
1048 1 54 TRP HA 1 55 TRP H . . 2.970 2.144 2.139 2.156 . 0 0 "[ . 1 . 2]" 1
1049 1 54 TRP HA 1 55 TRP HB2 . . 4.950 4.313 4.265 4.385 . 0 0 "[ . 1 . 2]" 1
1050 1 54 TRP HA 1 67 VAL H . . 4.660 3.935 3.484 4.353 . 0 0 "[ . 1 . 2]" 1
1051 1 54 TRP HA 1 68 PRO HA . . 3.760 3.160 2.826 3.379 . 0 0 "[ . 1 . 2]" 1
1052 1 54 TRP HA 1 69 SER H . . 3.650 3.239 2.971 3.537 . 0 0 "[ . 1 . 2]" 1
1053 1 54 TRP HB2 1 54 TRP HD1 . . 3.450 2.561 2.548 2.583 . 0 0 "[ . 1 . 2]" 1
1054 1 54 TRP HB2 1 55 TRP H . . 4.820 4.239 4.114 4.379 . 0 0 "[ . 1 . 2]" 1
1055 1 54 TRP HB2 1 66 TYR QD . . 4.310 4.020 3.799 4.287 . 0 0 "[ . 1 . 2]" 1
1056 1 54 TRP HB3 1 54 TRP HE3 . . 3.870 2.840 2.746 2.945 . 0 0 "[ . 1 . 2]" 1
1057 1 54 TRP HB3 1 55 TRP H . . 3.830 3.463 3.339 3.716 . 0 0 "[ . 1 . 2]" 1
1058 1 54 TRP HB3 1 66 TYR QD . . 4.020 3.176 2.962 3.351 . 0 0 "[ . 1 . 2]" 1
1059 1 54 TRP HB3 1 67 VAL H . . 4.670 3.948 3.598 4.461 . 0 0 "[ . 1 . 2]" 1
1060 1 54 TRP HE3 1 55 TRP H . . 4.190 3.774 3.498 4.136 . 0 0 "[ . 1 . 2]" 1
1061 1 54 TRP HE3 1 66 TYR HA . . 4.930 4.499 4.301 4.790 . 0 0 "[ . 1 . 2]" 1
1062 1 54 TRP HE3 1 66 TYR HB2 . . 4.590 4.477 4.215 4.577 . 0 0 "[ . 1 . 2]" 1
1063 1 54 TRP HE3 1 66 TYR HB3 . . 3.560 3.233 2.993 3.448 . 0 0 "[ . 1 . 2]" 1
1064 1 54 TRP HE3 1 67 VAL H . . 4.150 3.619 3.213 3.955 . 0 0 "[ . 1 . 2]" 1
1065 1 54 TRP HE3 1 67 VAL MG2 . . 4.800 4.574 4.313 4.734 . 0 0 "[ . 1 . 2]" 1
1066 1 54 TRP HE3 1 68 PRO HA . . 4.200 3.165 2.955 3.360 . 0 0 "[ . 1 . 2]" 1
1067 1 54 TRP HE3 1 68 PRO HB3 . . 4.320 4.215 4.041 4.320 . 0 0 "[ . 1 . 2]" 1
1068 1 54 TRP HE3 1 68 PRO HD3 . . 4.080 3.517 3.321 3.673 . 0 0 "[ . 1 . 2]" 1
1069 1 54 TRP HE3 1 69 SER H . . 4.840 4.551 4.195 4.787 . 0 0 "[ . 1 . 2]" 1
1070 1 54 TRP HH2 1 68 PRO HD3 . . 4.830 4.274 4.031 4.570 . 0 0 "[ . 1 . 2]" 1
1071 1 54 TRP HH2 1 68 PRO HG3 . . 5.050 4.850 4.655 5.041 . 0 0 "[ . 1 . 2]" 1
1072 1 54 TRP HZ3 1 68 PRO HD2 . . 4.400 3.872 3.639 4.079 . 0 0 "[ . 1 . 2]" 1
1073 1 54 TRP HZ3 1 68 PRO HD3 . . 3.960 2.162 2.001 2.365 . 0 0 "[ . 1 . 2]" 1
1074 1 54 TRP HZ3 1 68 PRO HG2 . . 4.930 4.718 4.489 4.926 . 0 0 "[ . 1 . 2]" 1
1075 1 54 TRP HZ3 1 68 PRO HG3 . . 4.280 3.653 3.510 3.834 . 0 0 "[ . 1 . 2]" 1
1076 1 55 TRP H 1 55 TRP HB2 . . 3.530 2.402 2.313 2.454 . 0 0 "[ . 1 . 2]" 1
1077 1 55 TRP H 1 55 TRP HB3 . . 4.200 3.588 3.543 3.630 . 0 0 "[ . 1 . 2]" 1
1078 1 55 TRP H 1 55 TRP HD1 . . 4.160 3.781 3.708 3.877 . 0 0 "[ . 1 . 2]" 1
1079 1 55 TRP H 1 56 ARG H . . 4.800 4.480 4.428 4.548 . 0 0 "[ . 1 . 2]" 1
1080 1 55 TRP H 1 66 TYR HA . . 4.560 4.169 3.865 4.485 . 0 0 "[ . 1 . 2]" 1
1081 1 55 TRP H 1 66 TYR QD . . 4.660 4.410 4.105 4.659 . 0 0 "[ . 1 . 2]" 1
1082 1 55 TRP H 1 67 VAL MG2 . . 3.980 3.173 3.016 3.377 . 0 0 "[ . 1 . 2]" 1
1083 1 55 TRP H 1 68 PRO HA . . 4.630 4.121 3.775 4.428 . 0 0 "[ . 1 . 2]" 1
1084 1 55 TRP H 1 69 SER H . . 4.180 3.418 2.938 3.729 . 0 0 "[ . 1 . 2]" 1
1085 1 55 TRP H 1 69 SER HA . . 5.500 4.415 4.121 4.672 . 0 0 "[ . 1 . 2]" 1
1086 1 55 TRP H 1 69 SER HB3 . . 4.760 4.045 3.596 4.504 . 0 0 "[ . 1 . 2]" 1
1087 1 55 TRP H 1 72 LEU MD1 . . 4.600 3.998 3.672 4.370 . 0 0 "[ . 1 . 2]" 1
1088 1 55 TRP HA 1 55 TRP HD1 . . 3.360 2.043 2.002 2.099 . 0 0 "[ . 1 . 2]" 1
1089 1 55 TRP HA 1 55 TRP HE1 . . 4.490 4.472 4.445 4.490 0.000 16 0 "[ . 1 . 2]" 1
1090 1 55 TRP HA 1 56 ARG H . . 3.040 2.239 2.164 2.355 . 0 0 "[ . 1 . 2]" 1
1091 1 55 TRP HA 1 57 VAL MG1 . . 5.200 4.703 4.510 4.978 . 0 0 "[ . 1 . 2]" 1
1092 1 55 TRP HA 1 72 LEU MD1 . . 5.500 4.875 4.685 5.242 . 0 0 "[ . 1 . 2]" 1
1093 1 55 TRP HB2 1 56 ARG H . . 4.590 4.172 3.935 4.364 . 0 0 "[ . 1 . 2]" 1
1094 1 55 TRP HB2 1 57 VAL MG1 . . 4.290 3.603 3.460 3.726 . 0 0 "[ . 1 . 2]" 1
1095 1 55 TRP HB2 1 67 VAL MG2 . . 3.900 3.223 3.041 3.503 . 0 0 "[ . 1 . 2]" 1
1096 1 55 TRP HB2 1 72 LEU MD1 . . 3.680 2.505 2.268 2.909 . 0 0 "[ . 1 . 2]" 1
1097 1 55 TRP HB3 1 56 ARG H . . 3.620 2.976 2.603 3.309 . 0 0 "[ . 1 . 2]" 1
1098 1 55 TRP HB3 1 57 VAL MG1 . . 4.040 2.883 2.735 3.122 . 0 0 "[ . 1 . 2]" 1
1099 1 55 TRP HB3 1 67 VAL MG2 . . 4.100 3.848 3.565 4.040 . 0 0 "[ . 1 . 2]" 1
1100 1 55 TRP HB3 1 72 LEU MD1 . . 3.840 2.998 2.729 3.359 . 0 0 "[ . 1 . 2]" 1
1101 1 55 TRP HD1 1 56 ARG H . . 4.120 4.038 3.950 4.120 . 0 0 "[ . 1 . 2]" 1
1102 1 55 TRP HD1 1 69 SER HB3 . . 4.820 4.163 3.690 4.734 . 0 0 "[ . 1 . 2]" 1
1103 1 55 TRP HE3 1 57 VAL MG1 . . 4.430 3.696 3.442 4.000 . 0 0 "[ . 1 . 2]" 1
1104 1 55 TRP HE3 1 67 VAL MG2 . . 5.500 4.868 4.608 5.068 . 0 0 "[ . 1 . 2]" 1
1105 1 55 TRP HE3 1 69 SER HA . . 4.760 3.688 3.345 4.323 . 0 0 "[ . 1 . 2]" 1
1106 1 55 TRP HE3 1 69 SER HB2 . . 5.500 3.844 3.247 4.266 . 0 0 "[ . 1 . 2]" 1
1107 1 55 TRP HE3 1 72 LEU HB2 . . 5.500 3.406 3.047 3.949 . 0 0 "[ . 1 . 2]" 1
1108 1 55 TRP HE3 1 72 LEU MD1 . . 3.130 2.386 2.101 2.607 . 0 0 "[ . 1 . 2]" 1
1109 1 55 TRP HE3 1 72 LEU MD2 . . 4.890 4.680 4.443 4.888 . 0 0 "[ . 1 . 2]" 1
1110 1 55 TRP HH2 1 69 SER HB2 . . 5.120 4.609 4.174 5.089 . 0 0 "[ . 1 . 2]" 1
1111 1 55 TRP HZ2 1 69 SER HB2 . . 5.120 4.648 4.174 5.101 . 0 0 "[ . 1 . 2]" 1
1112 1 55 TRP HZ3 1 69 SER HB2 . . 5.200 4.232 3.741 4.763 . 0 0 "[ . 1 . 2]" 1
1113 1 55 TRP HZ3 1 72 LEU HB2 . . 4.720 4.131 3.650 4.680 . 0 0 "[ . 1 . 2]" 1
1114 1 55 TRP HZ3 1 72 LEU HB3 . . 4.940 4.127 3.705 4.585 . 0 0 "[ . 1 . 2]" 1
1115 1 55 TRP HZ3 1 72 LEU MD1 . . 4.170 4.018 3.642 4.171 0.001 13 0 "[ . 1 . 2]" 1
1116 1 56 ARG H 1 56 ARG HB2 . . 3.630 2.574 2.443 2.731 . 0 0 "[ . 1 . 2]" 1
1117 1 56 ARG H 1 56 ARG HB3 . . 3.630 2.715 2.510 2.793 . 0 0 "[ . 1 . 2]" 1
1118 1 56 ARG H 1 56 ARG QD . . 4.570 4.501 4.425 4.580 0.010 20 0 "[ . 1 . 2]" 1
1119 1 56 ARG H 1 56 ARG HG2 . . 4.640 4.563 4.445 4.624 . 0 0 "[ . 1 . 2]" 1
1120 1 56 ARG H 1 57 VAL MG1 . . 4.180 3.924 3.671 4.116 . 0 0 "[ . 1 . 2]" 1
1121 1 56 ARG H 1 66 TYR QE . . 4.970 4.693 4.111 4.943 . 0 0 "[ . 1 . 2]" 1
1122 1 56 ARG QB 1 56 ARG QD . . 2.970 2.124 2.079 2.191 . 0 0 "[ . 1 . 2]" 1
1123 1 56 ARG QB 1 66 TYR QD . . 4.820 3.416 2.909 3.775 . 0 0 "[ . 1 . 2]" 1
1124 1 56 ARG QB 1 66 TYR QE . . 3.800 2.899 2.368 3.169 . 0 0 "[ . 1 . 2]" 1
1125 1 56 ARG HB2 1 56 ARG QD . . 3.460 2.374 2.202 2.511 . 0 0 "[ . 1 . 2]" 1
1126 1 56 ARG HB2 1 57 VAL H . . 4.680 4.463 4.355 4.563 . 0 0 "[ . 1 . 2]" 1
1127 1 56 ARG HB3 1 56 ARG QD . . 3.460 2.428 2.272 2.745 . 0 0 "[ . 1 . 2]" 1
1128 1 56 ARG HB3 1 57 VAL H . . 4.680 4.176 4.052 4.299 . 0 0 "[ . 1 . 2]" 1
1129 1 56 ARG QD 1 57 VAL H . . 5.500 5.091 4.864 5.311 . 0 0 "[ . 1 . 2]" 1
1130 1 56 ARG QD 1 66 TYR QE . . 3.720 3.266 2.684 3.720 . 0 0 "[ . 1 . 2]" 1
1131 1 56 ARG HG2 1 57 VAL H . . 4.140 3.389 3.050 3.705 . 0 0 "[ . 1 . 2]" 1
1132 1 56 ARG HG2 1 65 GLY H . . 4.540 3.791 3.251 4.324 . 0 0 "[ . 1 . 2]" 1
1133 1 56 ARG HG2 1 66 TYR QE . . 5.380 5.158 4.878 5.376 . 0 0 "[ . 1 . 2]" 1
1134 1 56 ARG HG3 1 57 VAL H . . 3.970 3.664 3.250 3.954 . 0 0 "[ . 1 . 2]" 1
1135 1 56 ARG HG3 1 65 GLY HA3 . . 5.470 5.275 4.925 5.470 . 0 0 "[ . 1 . 2]" 1
1136 1 56 ARG HG3 1 66 TYR HA . . 4.760 4.259 3.871 4.631 . 0 0 "[ . 1 . 2]" 1
1137 1 56 ARG HG3 1 66 TYR QD . . 4.750 3.920 3.512 4.295 . 0 0 "[ . 1 . 2]" 1
1138 1 56 ARG HG3 1 66 TYR QE . . 4.580 3.808 3.491 4.146 . 0 0 "[ . 1 . 2]" 1
1139 1 57 VAL H 1 57 VAL MG1 . . 3.810 2.844 2.614 3.026 . 0 0 "[ . 1 . 2]" 1
1140 1 57 VAL H 1 57 VAL MG2 . . 3.210 2.296 1.995 2.444 . 0 0 "[ . 1 . 2]" 1
1141 1 57 VAL H 1 65 GLY H . . 3.690 3.052 2.812 3.351 . 0 0 "[ . 1 . 2]" 1
1142 1 57 VAL H 1 67 VAL H . . 4.880 4.523 4.149 4.790 . 0 0 "[ . 1 . 2]" 1
1143 1 57 VAL H 1 67 VAL MG2 . . 4.690 3.328 3.026 3.549 . 0 0 "[ . 1 . 2]" 1
1144 1 57 VAL HA 1 57 VAL MG1 . . 3.220 2.358 2.275 2.505 . 0 0 "[ . 1 . 2]" 1
1145 1 57 VAL HA 1 58 GLN H . . 3.280 2.482 2.411 2.560 . 0 0 "[ . 1 . 2]" 1
1146 1 57 VAL HB 1 58 GLN H . . 3.280 2.263 2.088 2.395 . 0 0 "[ . 1 . 2]" 1
1147 1 57 VAL MG1 1 58 GLN H . . 3.780 3.728 3.623 3.780 . 0 0 "[ . 1 . 2]" 1
1148 1 57 VAL MG1 1 67 VAL H . . 4.710 4.564 4.372 4.713 0.003 12 0 "[ . 1 . 2]" 1
1149 1 57 VAL MG2 1 58 GLN H . . 3.880 3.117 2.743 3.303 . 0 0 "[ . 1 . 2]" 1
1150 1 57 VAL MG2 1 58 GLN HA . . 4.970 3.581 3.386 3.731 . 0 0 "[ . 1 . 2]" 1
1151 1 57 VAL MG2 1 64 GLU HA . . 5.010 3.645 3.409 4.050 . 0 0 "[ . 1 . 2]" 1
1152 1 57 VAL MG2 1 64 GLU QB . . 4.800 4.324 3.842 4.719 . 0 0 "[ . 1 . 2]" 1
1153 1 57 VAL MG2 1 65 GLY H . . 4.220 3.672 3.210 4.066 . 0 0 "[ . 1 . 2]" 1
1154 1 57 VAL MG2 1 67 VAL HB . . 5.000 4.309 3.960 4.559 . 0 0 "[ . 1 . 2]" 1
1155 1 58 GLN H 1 58 GLN HB2 . . 4.000 3.156 2.826 3.335 . 0 0 "[ . 1 . 2]" 1
1156 1 58 GLN H 1 58 GLN QB . . 3.430 2.556 2.451 2.665 . 0 0 "[ . 1 . 2]" 1
1157 1 58 GLN H 1 58 GLN HB3 . . 4.000 2.714 2.569 2.971 . 0 0 "[ . 1 . 2]" 1
1158 1 58 GLN H 1 59 ASP H . . 4.990 4.306 4.018 4.464 . 0 0 "[ . 1 . 2]" 1
1159 1 58 GLN HA 1 58 GLN HG2 . . 4.130 3.195 2.922 3.398 . 0 0 "[ . 1 . 2]" 1
1160 1 58 GLN HA 1 58 GLN QG . . 3.570 2.437 2.144 2.618 . 0 0 "[ . 1 . 2]" 1
1161 1 58 GLN HA 1 58 GLN HG3 . . 4.130 2.543 2.180 2.895 . 0 0 "[ . 1 . 2]" 1
1162 1 58 GLN HA 1 59 ASP H . . 3.250 2.180 2.138 2.284 . 0 0 "[ . 1 . 2]" 1
1163 1 58 GLN HA 1 64 GLU HA . . 3.380 2.441 2.025 2.758 . 0 0 "[ . 1 . 2]" 1
1164 1 58 GLN HA 1 64 GLU HB2 . . 4.700 4.116 3.235 4.701 0.001 14 0 "[ . 1 . 2]" 1
1165 1 58 GLN HA 1 64 GLU QB . . 4.130 2.886 2.070 3.849 . 0 0 "[ . 1 . 2]" 1
1166 1 58 GLN HA 1 64 GLU HB3 . . 4.700 2.965 2.087 4.093 . 0 0 "[ . 1 . 2]" 1
1167 1 58 GLN HA 1 64 GLU QG . . 4.040 3.174 2.031 4.036 . 0 0 "[ . 1 . 2]" 1
1168 1 58 GLN HA 1 65 GLY H . . 4.590 4.401 3.938 4.576 . 0 0 "[ . 1 . 2]" 1
1169 1 58 GLN QB 1 58 GLN QE . . 3.850 2.643 1.978 3.322 . 0 0 "[ . 1 . 2]" 1
1170 1 58 GLN QB 1 59 ASP H . . 4.230 3.689 3.441 3.920 . 0 0 "[ . 1 . 2]" 1
1171 1 58 GLN HB2 1 58 GLN HE22 . . 5.020 3.807 3.494 4.244 . 0 0 "[ . 1 . 2]" 1
1172 1 58 GLN HB2 1 59 ASP H . . 4.820 4.177 3.980 4.391 . 0 0 "[ . 1 . 2]" 1
1173 1 58 GLN HB3 1 58 GLN HE22 . . 5.020 4.401 3.787 4.844 . 0 0 "[ . 1 . 2]" 1
1174 1 58 GLN HB3 1 59 ASP H . . 4.820 4.118 3.738 4.410 . 0 0 "[ . 1 . 2]" 1
1175 1 58 GLN QE 1 64 GLU QG . . 3.910 2.487 1.914 3.123 . 0 0 "[ . 1 . 2]" 1
1176 1 58 GLN HE21 1 64 GLU HG2 . . 5.390 2.780 2.025 3.827 . 0 0 "[ . 1 . 2]" 1
1177 1 58 GLN HE21 1 64 GLU HG3 . . 5.390 3.036 2.454 3.704 . 0 0 "[ . 1 . 2]" 1
1178 1 58 GLN HE22 1 64 GLU HG2 . . 5.390 4.144 3.215 5.274 . 0 0 "[ . 1 . 2]" 1
1179 1 58 GLN HE22 1 64 GLU HG3 . . 5.390 4.555 3.760 5.301 . 0 0 "[ . 1 . 2]" 1
1180 1 58 GLN QG 1 59 ASP H . . 3.730 2.672 2.211 3.169 . 0 0 "[ . 1 . 2]" 1
1181 1 58 GLN QG 1 62 GLY QA . . 3.690 2.654 2.134 2.948 . 0 0 "[ . 1 . 2]" 1
1182 1 58 GLN QG 1 63 HIS H . . 4.210 3.335 3.007 4.176 . 0 0 "[ . 1 . 2]" 1
1183 1 58 GLN QG 1 64 GLU HA . . 4.950 3.938 3.539 4.234 . 0 0 "[ . 1 . 2]" 1
1184 1 58 GLN QG 1 64 GLU QG . . 4.060 2.798 1.990 3.758 . 0 0 "[ . 1 . 2]" 1
1185 1 58 GLN HG2 1 59 ASP H . . 4.240 3.096 2.646 3.617 . 0 0 "[ . 1 . 2]" 1
1186 1 58 GLN HG2 1 62 GLY HA2 . . 5.000 2.995 2.192 3.264 . 0 0 "[ . 1 . 2]" 1
1187 1 58 GLN HG2 1 62 GLY HA3 . . 5.000 4.734 3.867 5.000 . 0 0 "[ . 1 . 2]" 1
1188 1 58 GLN HG2 1 63 HIS H . . 5.010 3.957 3.438 4.675 . 0 0 "[ . 1 . 2]" 1
1189 1 58 GLN HG3 1 59 ASP H . . 4.240 2.972 2.370 3.955 . 0 0 "[ . 1 . 2]" 1
1190 1 58 GLN HG3 1 62 GLY HA2 . . 5.000 3.101 2.581 3.480 . 0 0 "[ . 1 . 2]" 1
1191 1 58 GLN HG3 1 62 GLY HA3 . . 5.000 4.604 4.085 4.985 . 0 0 "[ . 1 . 2]" 1
1192 1 58 GLN HG3 1 63 HIS H . . 5.010 3.629 3.157 4.701 . 0 0 "[ . 1 . 2]" 1
1193 1 59 ASP H 1 62 GLY H . . 4.650 3.856 3.491 4.287 . 0 0 "[ . 1 . 2]" 1
1194 1 59 ASP H 1 63 HIS H . . 3.900 2.888 2.325 3.893 . 0 0 "[ . 1 . 2]" 1
1195 1 59 ASP H 1 64 GLU HA . . 4.300 3.437 3.072 3.590 . 0 0 "[ . 1 . 2]" 1
1196 1 59 ASP H 1 64 GLU QB . . 5.260 4.423 3.748 5.205 . 0 0 "[ . 1 . 2]" 1
1197 1 59 ASP H 1 64 GLU QG . . 5.220 4.292 3.397 4.967 . 0 0 "[ . 1 . 2]" 1
1198 1 59 ASP HA 1 60 ARG H . . 3.570 2.451 2.265 2.603 . 0 0 "[ . 1 . 2]" 1
1199 1 59 ASP HA 1 61 ASN H . . 5.000 4.214 3.819 4.490 . 0 0 "[ . 1 . 2]" 1
1200 1 59 ASP QB 1 60 ARG H . . 3.310 3.019 1.999 3.309 . 0 0 "[ . 1 . 2]" 1
1201 1 59 ASP QB 1 61 ASN H . . 4.150 2.866 2.246 3.587 . 0 0 "[ . 1 . 2]" 1
1202 1 59 ASP HB2 1 60 ARG H . . 4.060 3.509 2.014 3.937 . 0 0 "[ . 1 . 2]" 1
1203 1 59 ASP HB2 1 61 ASN H . . 4.800 3.932 2.258 4.466 . 0 0 "[ . 1 . 2]" 1
1204 1 59 ASP HB3 1 60 ARG H . . 4.060 3.448 2.798 3.745 . 0 0 "[ . 1 . 2]" 1
1205 1 59 ASP HB3 1 61 ASN H . . 4.800 3.189 2.438 4.145 . 0 0 "[ . 1 . 2]" 1
1206 1 60 ARG H 1 60 ARG QB . . 3.400 2.384 2.217 2.621 . 0 0 "[ . 1 . 2]" 1
1207 1 60 ARG H 1 60 ARG QD . . 4.420 3.964 1.882 4.419 . 0 0 "[ . 1 . 2]" 1
1208 1 60 ARG H 1 60 ARG QG . . 4.010 2.947 1.959 4.010 . 0 0 "[ . 1 . 2]" 1
1209 1 60 ARG H 1 61 ASN H . . 3.800 2.628 2.489 2.789 . 0 0 "[ . 1 . 2]" 1
1210 1 60 ARG H 1 62 GLY H . . 5.120 4.339 4.098 4.654 . 0 0 "[ . 1 . 2]" 1
1211 1 60 ARG HA 1 60 ARG QD . . 4.350 3.771 2.160 4.389 0.039 16 0 "[ . 1 . 2]" 1
1212 1 60 ARG HA 1 60 ARG QG . . 3.810 3.074 2.464 3.379 . 0 0 "[ . 1 . 2]" 1
1213 1 60 ARG HA 1 62 GLY H . . 4.950 4.641 4.249 4.863 . 0 0 "[ . 1 . 2]" 1
1214 1 60 ARG QB 1 60 ARG QD . . 3.250 2.132 2.016 2.282 . 0 0 "[ . 1 . 2]" 1
1215 1 60 ARG QB 1 61 ASN H . . 4.170 3.255 2.586 3.787 . 0 0 "[ . 1 . 2]" 1
1216 1 60 ARG QD 1 61 ASN H . . 5.230 4.556 2.951 5.147 . 0 0 "[ . 1 . 2]" 1
1217 1 60 ARG QG 1 61 ASN H . . 4.180 2.900 2.006 3.749 . 0 0 "[ . 1 . 2]" 1
1218 1 60 ARG QG 1 61 ASN QD . . 4.690 3.948 2.382 4.683 . 0 0 "[ . 1 . 2]" 1
1219 1 61 ASN H 1 61 ASN HB2 . . 3.730 2.336 2.189 2.600 . 0 0 "[ . 1 . 2]" 1
1220 1 61 ASN H 1 61 ASN QB . . 3.160 2.305 2.168 2.543 . 0 0 "[ . 1 . 2]" 1
1221 1 61 ASN H 1 61 ASN HB3 . . 3.730 3.561 3.496 3.631 . 0 0 "[ . 1 . 2]" 1
1222 1 61 ASN H 1 61 ASN HD21 . . 5.040 3.977 2.469 4.726 . 0 0 "[ . 1 . 2]" 1
1223 1 61 ASN H 1 61 ASN QD . . 4.280 3.699 2.445 4.276 . 0 0 "[ . 1 . 2]" 1
1224 1 61 ASN H 1 61 ASN HD22 . . 5.040 4.571 3.759 4.980 . 0 0 "[ . 1 . 2]" 1
1225 1 61 ASN H 1 62 GLY H . . 3.100 2.517 2.058 2.676 . 0 0 "[ . 1 . 2]" 1
1226 1 61 ASN H 1 62 GLY QA . . 4.820 4.399 4.044 4.508 . 0 0 "[ . 1 . 2]" 1
1227 1 61 ASN H 1 63 HIS H . . 4.030 3.895 3.566 4.030 . 0 0 "[ . 1 . 2]" 1
1228 1 61 ASN QB 1 62 GLY QA . . 5.010 3.764 3.697 3.840 . 0 0 "[ . 1 . 2]" 1
1229 1 61 ASN QB 1 63 HIS H . . 4.000 3.448 2.705 3.979 . 0 0 "[ . 1 . 2]" 1
1230 1 61 ASN QB 1 63 HIS HD2 . . 3.910 3.737 3.409 3.902 . 0 0 "[ . 1 . 2]" 1
1231 1 61 ASN QB 1 63 HIS HE1 . . 3.970 3.000 2.589 3.284 . 0 0 "[ . 1 . 2]" 1
1232 1 61 ASN HB2 1 62 GLY H . . 4.430 2.623 2.399 2.911 . 0 0 "[ . 1 . 2]" 1
1233 1 61 ASN HB2 1 63 HIS HD2 . . 4.560 4.273 3.613 4.557 . 0 0 "[ . 1 . 2]" 1
1234 1 61 ASN HB2 1 63 HIS HE1 . . 4.670 3.310 2.703 3.786 . 0 0 "[ . 1 . 2]" 1
1235 1 61 ASN HB3 1 62 GLY H . . 4.430 3.414 3.091 3.713 . 0 0 "[ . 1 . 2]" 1
1236 1 61 ASN HB3 1 63 HIS HD2 . . 4.560 4.174 3.671 4.468 . 0 0 "[ . 1 . 2]" 1
1237 1 61 ASN HB3 1 63 HIS HE1 . . 4.670 3.515 2.845 4.076 . 0 0 "[ . 1 . 2]" 1
1238 1 61 ASN HD21 1 63 HIS HE1 . . 5.500 3.579 1.904 4.980 . 0 0 "[ . 1 . 2]" 1
1239 1 61 ASN HD22 1 63 HIS HE1 . . 5.500 4.515 3.548 5.265 . 0 0 "[ . 1 . 2]" 1
1240 1 62 GLY H 1 63 HIS H . . 3.200 1.854 1.800 2.038 . 0 0 "[ . 1 . 2]" 1
1241 1 63 HIS H 1 63 HIS HB2 . . 3.960 2.811 2.661 2.941 . 0 0 "[ . 1 . 2]" 1
1242 1 63 HIS H 1 63 HIS QB . . 3.120 2.734 2.604 2.849 . 0 0 "[ . 1 . 2]" 1
1243 1 63 HIS H 1 63 HIS HB3 . . 3.960 3.742 3.569 3.820 . 0 0 "[ . 1 . 2]" 1
1244 1 63 HIS H 1 63 HIS HD2 . . 4.490 3.241 2.778 3.517 . 0 0 "[ . 1 . 2]" 1
1245 1 63 HIS H 1 64 GLU QG . . 5.340 4.659 4.038 5.212 . 0 0 "[ . 1 . 2]" 1
1246 1 63 HIS QB 1 64 GLU H . . 3.550 3.090 2.201 3.469 . 0 0 "[ . 1 . 2]" 1
1247 1 63 HIS HB2 1 64 GLU H . . 4.390 3.871 2.961 4.275 . 0 0 "[ . 1 . 2]" 1
1248 1 63 HIS HB3 1 64 GLU H . . 4.390 3.253 2.269 3.685 . 0 0 "[ . 1 . 2]" 1
1249 1 63 HIS HD2 1 64 GLU H . . 5.110 4.889 4.699 5.021 . 0 0 "[ . 1 . 2]" 1
1250 1 64 GLU H 1 64 GLU HB2 . . 4.070 3.260 2.515 3.899 . 0 0 "[ . 1 . 2]" 1
1251 1 64 GLU H 1 64 GLU QB . . 3.450 2.929 2.476 3.364 . 0 0 "[ . 1 . 2]" 1
1252 1 64 GLU H 1 64 GLU HB3 . . 4.070 3.587 3.113 4.004 . 0 0 "[ . 1 . 2]" 1
1253 1 64 GLU H 1 64 GLU HG2 . . 4.210 3.839 3.553 4.200 . 0 0 "[ . 1 . 2]" 1
1254 1 64 GLU H 1 64 GLU QG . . 3.610 2.375 1.902 3.200 . 0 0 "[ . 1 . 2]" 1
1255 1 64 GLU H 1 64 GLU HG3 . . 4.210 2.407 1.909 3.326 . 0 0 "[ . 1 . 2]" 1
1256 1 64 GLU H 1 65 GLY H . . 4.940 4.459 4.364 4.533 . 0 0 "[ . 1 . 2]" 1
1257 1 64 GLU HA 1 64 GLU QG . . 3.640 3.000 2.448 3.446 . 0 0 "[ . 1 . 2]" 1
1258 1 64 GLU HA 1 65 GLY H . . 3.080 2.505 2.366 2.624 . 0 0 "[ . 1 . 2]" 1
1259 1 64 GLU QB 1 65 GLY H . . 3.480 2.234 1.962 2.495 . 0 0 "[ . 1 . 2]" 1
1260 1 64 GLU HB2 1 65 GLY H . . 4.020 2.721 1.976 3.524 . 0 0 "[ . 1 . 2]" 1
1261 1 64 GLU HB3 1 65 GLY H . . 4.020 2.905 2.202 3.609 . 0 0 "[ . 1 . 2]" 1
1262 1 64 GLU QG 1 65 GLY H . . 4.520 4.066 3.753 4.383 . 0 0 "[ . 1 . 2]" 1
1263 1 65 GLY H 1 66 TYR H . . 4.730 4.346 4.207 4.408 . 0 0 "[ . 1 . 2]" 1
1264 1 65 GLY H 1 66 TYR HA . . 4.850 4.708 4.641 4.750 . 0 0 "[ . 1 . 2]" 1
1265 1 65 GLY HA2 1 66 TYR H . . 3.350 2.582 2.273 3.008 . 0 0 "[ . 1 . 2]" 1
1266 1 65 GLY HA3 1 66 TYR H . . 3.410 2.563 2.212 2.906 . 0 0 "[ . 1 . 2]" 1
1267 1 66 TYR H 1 66 TYR HB2 . . 3.430 2.411 2.324 2.537 . 0 0 "[ . 1 . 2]" 1
1268 1 66 TYR H 1 66 TYR HB3 . . 3.750 3.622 3.571 3.716 . 0 0 "[ . 1 . 2]" 1
1269 1 66 TYR H 1 66 TYR QD . . 3.760 3.348 3.039 3.744 . 0 0 "[ . 1 . 2]" 1
1270 1 66 TYR H 1 66 TYR QE . . 5.500 4.921 4.502 5.357 . 0 0 "[ . 1 . 2]" 1
1271 1 66 TYR H 1 67 VAL H . . 4.660 4.390 4.251 4.555 . 0 0 "[ . 1 . 2]" 1
1272 1 66 TYR H 1 67 VAL MG1 . . 4.970 4.244 3.803 4.613 . 0 0 "[ . 1 . 2]" 1
1273 1 66 TYR HA 1 66 TYR QD . . 3.900 2.150 1.999 2.430 . 0 0 "[ . 1 . 2]" 1
1274 1 66 TYR HA 1 66 TYR QE . . 4.810 4.324 4.232 4.423 . 0 0 "[ . 1 . 2]" 1
1275 1 66 TYR HA 1 67 VAL H . . 3.040 2.152 2.138 2.184 . 0 0 "[ . 1 . 2]" 1
1276 1 66 TYR HA 1 67 VAL MG1 . . 4.820 4.104 3.920 4.313 . 0 0 "[ . 1 . 2]" 1
1277 1 66 TYR HA 1 67 VAL MG2 . . 4.080 3.521 3.325 3.668 . 0 0 "[ . 1 . 2]" 1
1278 1 66 TYR HB2 1 67 VAL H . . 4.610 4.353 4.134 4.501 . 0 0 "[ . 1 . 2]" 1
1279 1 66 TYR HB3 1 67 VAL H . . 3.880 3.500 3.090 3.843 . 0 0 "[ . 1 . 2]" 1
1280 1 66 TYR QD 1 67 VAL H . . 4.270 3.755 3.555 3.942 . 0 0 "[ . 1 . 2]" 1
1281 1 67 VAL H 1 67 VAL MG1 . . 3.900 3.157 2.961 3.312 . 0 0 "[ . 1 . 2]" 1
1282 1 67 VAL H 1 67 VAL MG2 . . 3.230 2.016 1.881 2.216 . 0 0 "[ . 1 . 2]" 1
1283 1 67 VAL HB 1 68 PRO HD2 . . 3.410 2.059 2.001 2.189 . 0 0 "[ . 1 . 2]" 1
1284 1 67 VAL HB 1 68 PRO HD3 . . 3.630 3.502 3.452 3.610 . 0 0 "[ . 1 . 2]" 1
1285 1 67 VAL MG1 1 68 PRO HD2 . . 3.820 2.711 2.548 2.844 . 0 0 "[ . 1 . 2]" 1
1286 1 67 VAL MG1 1 68 PRO HD3 . . 4.010 3.592 3.448 3.712 . 0 0 "[ . 1 . 2]" 1
1287 1 67 VAL MG1 1 68 PRO HG3 . . 5.090 4.927 4.729 5.067 . 0 0 "[ . 1 . 2]" 1
1288 1 67 VAL MG1 1 71 TYR HB2 . . 5.500 5.049 4.784 5.250 . 0 0 "[ . 1 . 2]" 1
1289 1 67 VAL MG2 1 68 PRO HD2 . . 3.910 3.719 3.647 3.824 . 0 0 "[ . 1 . 2]" 1
1290 1 67 VAL MG2 1 69 SER H . . 4.690 4.533 4.324 4.669 . 0 0 "[ . 1 . 2]" 1
1291 1 67 VAL MG2 1 69 SER HA . . 4.220 4.097 3.827 4.217 . 0 0 "[ . 1 . 2]" 1
1292 1 68 PRO HA 1 69 SER H . . 2.910 2.189 2.161 2.219 . 0 0 "[ . 1 . 2]" 1
1293 1 68 PRO HA 1 69 SER HA . . 4.590 4.465 4.429 4.498 . 0 0 "[ . 1 . 2]" 1
1294 1 68 PRO HA 1 69 SER HB3 . . 4.640 4.516 4.292 4.638 . 0 0 "[ . 1 . 2]" 1
1295 1 68 PRO HB2 1 70 SER H . . 4.160 3.053 2.754 3.423 . 0 0 "[ . 1 . 2]" 1
1296 1 68 PRO HB2 1 70 SER QB . . 4.520 2.775 2.401 3.860 . 0 0 "[ . 1 . 2]" 1
1297 1 68 PRO HB2 1 71 TYR H . . 3.840 2.963 2.799 3.058 . 0 0 "[ . 1 . 2]" 1
1298 1 68 PRO HB2 1 71 TYR HB2 . . 4.720 4.066 3.735 4.263 . 0 0 "[ . 1 . 2]" 1
1299 1 68 PRO HB2 1 71 TYR QD . . 3.920 2.878 2.601 3.116 . 0 0 "[ . 1 . 2]" 1
1300 1 68 PRO HB2 1 71 TYR QE . . 4.720 3.897 3.571 4.121 . 0 0 "[ . 1 . 2]" 1
1301 1 68 PRO HB3 1 69 SER H . . 4.360 4.273 4.186 4.344 . 0 0 "[ . 1 . 2]" 1
1302 1 68 PRO HB3 1 70 SER H . . 4.850 4.352 4.103 4.657 . 0 0 "[ . 1 . 2]" 1
1303 1 68 PRO HB3 1 71 TYR H . . 4.760 4.665 4.527 4.750 . 0 0 "[ . 1 . 2]" 1
1304 1 68 PRO HB3 1 71 TYR HB2 . . 5.500 5.349 5.045 5.490 . 0 0 "[ . 1 . 2]" 1
1305 1 68 PRO HB3 1 71 TYR QD . . 4.630 4.388 4.076 4.614 . 0 0 "[ . 1 . 2]" 1
1306 1 68 PRO HB3 1 71 TYR QE . . 5.010 4.742 4.302 5.001 . 0 0 "[ . 1 . 2]" 1
1307 1 68 PRO HD2 1 71 TYR HB2 . . 5.470 3.876 3.759 4.040 . 0 0 "[ . 1 . 2]" 1
1308 1 68 PRO HG2 1 71 TYR HB2 . . 4.790 2.640 2.359 2.805 . 0 0 "[ . 1 . 2]" 1
1309 1 68 PRO HG3 1 71 TYR H . . 5.500 4.605 4.487 4.705 . 0 0 "[ . 1 . 2]" 1
1310 1 68 PRO HG3 1 71 TYR HB2 . . 5.500 4.363 4.071 4.546 . 0 0 "[ . 1 . 2]" 1
1311 1 68 PRO HG3 1 71 TYR QD . . 4.380 3.743 3.337 4.003 . 0 0 "[ . 1 . 2]" 1
1312 1 68 PRO HG3 1 71 TYR QE . . 4.080 3.778 3.172 4.080 . 17 0 "[ . 1 . 2]" 1
1313 1 69 SER H 1 69 SER HB2 . . 3.770 3.541 2.832 3.606 . 0 0 "[ . 1 . 2]" 1
1314 1 69 SER H 1 69 SER HB3 . . 3.520 2.359 2.242 2.480 . 0 0 "[ . 1 . 2]" 1
1315 1 69 SER H 1 72 LEU H . . 5.500 5.019 4.953 5.131 . 0 0 "[ . 1 . 2]" 1
1316 1 69 SER HA 1 71 TYR H . . 4.440 4.189 3.982 4.362 . 0 0 "[ . 1 . 2]" 1
1317 1 69 SER HA 1 72 LEU H . . 4.450 3.129 2.999 3.214 . 0 0 "[ . 1 . 2]" 1
1318 1 69 SER HA 1 72 LEU HB2 . . 3.650 2.476 2.328 2.632 . 0 0 "[ . 1 . 2]" 1
1319 1 69 SER HA 1 72 LEU HB3 . . 4.890 4.142 4.014 4.349 . 0 0 "[ . 1 . 2]" 1
1320 1 69 SER HA 1 72 LEU MD1 . . 3.530 2.647 2.122 3.008 . 0 0 "[ . 1 . 2]" 1
1321 1 69 SER HA 1 72 LEU HG . . 4.500 3.295 2.894 3.724 . 0 0 "[ . 1 . 2]" 1
1322 1 69 SER HB2 1 70 SER H . . 4.520 3.921 3.664 4.214 . 0 0 "[ . 1 . 2]" 1
1323 1 69 SER HB2 1 72 LEU MD1 . . 4.600 4.215 3.425 4.589 . 0 0 "[ . 1 . 2]" 1
1324 1 69 SER HB3 1 72 LEU MD1 . . 4.620 4.265 3.787 4.621 0.001 14 0 "[ . 1 . 2]" 1
1325 1 70 SER H 1 70 SER HB2 . . 3.650 2.684 2.195 3.621 . 0 0 "[ . 1 . 2]" 1
1326 1 70 SER H 1 70 SER QB . . 3.050 2.473 2.140 2.733 . 0 0 "[ . 1 . 2]" 1
1327 1 70 SER H 1 70 SER HB3 . . 3.650 3.326 2.519 3.621 . 0 0 "[ . 1 . 2]" 1
1328 1 70 SER H 1 71 TYR H . . 3.460 2.941 2.784 3.092 . 0 0 "[ . 1 . 2]" 1
1329 1 70 SER H 1 71 TYR QD . . 4.630 4.163 3.869 4.458 . 0 0 "[ . 1 . 2]" 1
1330 1 70 SER H 1 72 LEU H . . 4.500 4.279 4.175 4.407 . 0 0 "[ . 1 . 2]" 1
1331 1 70 SER HA 1 72 LEU H . . 4.680 4.595 4.356 4.679 . 0 0 "[ . 1 . 2]" 1
1332 1 70 SER QB 1 71 TYR H . . 4.200 2.582 2.338 3.257 . 0 0 "[ . 1 . 2]" 1
1333 1 70 SER HB2 1 71 TYR H . . 4.800 2.847 2.378 3.792 . 0 0 "[ . 1 . 2]" 1
1334 1 70 SER HB3 1 71 TYR H . . 4.800 3.411 2.376 4.067 . 0 0 "[ . 1 . 2]" 1
1335 1 71 TYR H 1 71 TYR HB2 . . 3.230 2.309 2.287 2.332 . 0 0 "[ . 1 . 2]" 1
1336 1 71 TYR H 1 71 TYR HB3 . . 3.770 3.558 3.548 3.566 . 0 0 "[ . 1 . 2]" 1
1337 1 71 TYR H 1 71 TYR QD . . 3.540 1.983 1.910 2.062 . 0 0 "[ . 1 . 2]" 1
1338 1 71 TYR H 1 71 TYR QE . . 4.400 4.331 4.269 4.393 . 0 0 "[ . 1 . 2]" 1
1339 1 71 TYR H 1 72 LEU H . . 3.140 2.629 2.536 2.725 . 0 0 "[ . 1 . 2]" 1
1340 1 71 TYR H 1 72 LEU HB2 . . 4.950 4.796 4.660 4.932 . 0 0 "[ . 1 . 2]" 1
1341 1 71 TYR H 1 72 LEU HG . . 4.890 4.433 4.203 4.758 . 0 0 "[ . 1 . 2]" 1
1342 1 71 TYR HA 1 71 TYR QD . . 3.960 2.856 2.700 3.011 . 0 0 "[ . 1 . 2]" 1
1343 1 71 TYR HA 1 71 TYR QE . . 4.590 4.529 4.473 4.590 . 0 0 "[ . 1 . 2]" 1
1344 1 71 TYR HB2 1 72 LEU H . . 4.140 2.669 2.599 2.792 . 0 0 "[ . 1 . 2]" 1
1345 1 71 TYR HB2 1 72 LEU MD2 . . 4.330 4.043 3.620 4.284 . 0 0 "[ . 1 . 2]" 1
1346 1 71 TYR HB2 1 72 LEU HG . . 4.600 3.506 3.380 3.672 . 0 0 "[ . 1 . 2]" 1
1347 1 71 TYR HB3 1 72 LEU H . . 4.490 3.442 3.369 3.556 . 0 0 "[ . 1 . 2]" 1
1348 1 71 TYR HB3 1 72 LEU MD2 . . 4.530 3.955 3.554 4.280 . 0 0 "[ . 1 . 2]" 1
1349 1 71 TYR HB3 1 72 LEU HG . . 4.870 4.271 4.120 4.454 . 0 0 "[ . 1 . 2]" 1
1350 1 72 LEU H 1 72 LEU HB2 . . 3.300 2.452 2.337 2.547 . 0 0 "[ . 1 . 2]" 1
1351 1 72 LEU H 1 72 LEU HB3 . . 3.620 3.585 3.573 3.593 . 0 0 "[ . 1 . 2]" 1
1352 1 72 LEU H 1 72 LEU MD1 . . 3.810 3.635 3.466 3.810 0.000 4 0 "[ . 1 . 2]" 1
1353 1 72 LEU H 1 72 LEU MD2 . . 3.600 3.391 3.071 3.593 . 0 0 "[ . 1 . 2]" 1
1354 1 72 LEU H 1 72 LEU HG . . 3.440 2.344 2.159 2.632 . 0 0 "[ . 1 . 2]" 1
1355 1 72 LEU H 1 73 VAL H . . 4.640 4.607 4.565 4.633 . 0 0 "[ . 1 . 2]" 1
1356 1 72 LEU HA 1 72 LEU MD1 . . 4.110 3.867 3.818 3.921 . 0 0 "[ . 1 . 2]" 1
1357 1 72 LEU HA 1 72 LEU MD2 . . 3.120 2.133 1.994 2.289 . 0 0 "[ . 1 . 2]" 1
1358 1 72 LEU HA 1 72 LEU HG . . 4.110 3.110 3.013 3.254 . 0 0 "[ . 1 . 2]" 1
1359 1 72 LEU HA 1 73 VAL H . . 2.980 2.222 2.165 2.281 . 0 0 "[ . 1 . 2]" 1
1360 1 72 LEU HA 1 73 VAL HA . . 4.930 4.434 4.400 4.471 . 0 0 "[ . 1 . 2]" 1
1361 1 72 LEU HA 1 73 VAL MG1 . . 5.350 3.339 3.158 3.468 . 0 0 "[ . 1 . 2]" 1
1362 1 72 LEU HA 1 73 VAL QG . . 4.220 3.192 3.055 3.258 . 0 0 "[ . 1 . 2]" 1
1363 1 72 LEU HA 1 73 VAL MG2 . . 5.350 4.066 3.866 4.133 . 0 0 "[ . 1 . 2]" 1
1364 1 72 LEU HB2 1 72 LEU MD1 . . 3.120 2.353 2.268 2.440 . 0 0 "[ . 1 . 2]" 1
1365 1 72 LEU HB2 1 73 VAL H . . 4.270 3.994 3.814 4.168 . 0 0 "[ . 1 . 2]" 1
1366 1 72 LEU HB3 1 72 LEU MD1 . . 3.570 2.332 2.233 2.423 . 0 0 "[ . 1 . 2]" 1
1367 1 72 LEU HB3 1 72 LEU MD2 . . 3.360 2.294 2.207 2.371 . 0 0 "[ . 1 . 2]" 1
1368 1 72 LEU HB3 1 73 VAL H . . 3.640 2.928 2.725 3.176 . 0 0 "[ . 1 . 2]" 1
1369 1 72 LEU MD2 1 73 VAL H . . 3.580 3.343 3.100 3.568 . 0 0 "[ . 1 . 2]" 1
1370 1 72 LEU HG 1 73 VAL H . . 5.090 5.031 4.906 5.090 0.000 13 0 "[ . 1 . 2]" 1
1371 1 73 VAL H 1 73 VAL HB . . 4.020 3.917 3.832 3.978 . 0 0 "[ . 1 . 2]" 1
1372 1 73 VAL H 1 73 VAL MG1 . . 3.510 2.756 2.593 2.839 . 0 0 "[ . 1 . 2]" 1
1373 1 73 VAL H 1 73 VAL MG2 . . 3.510 2.451 2.346 2.572 . 0 0 "[ . 1 . 2]" 1
1374 1 73 VAL H 1 74 GLU H . . 4.720 4.320 4.218 4.414 . 0 0 "[ . 1 . 2]" 1
1375 1 73 VAL HA 1 73 VAL MG1 . . 3.530 2.484 2.402 2.533 . 0 0 "[ . 1 . 2]" 1
1376 1 73 VAL HA 1 73 VAL QG . . 2.960 2.399 2.335 2.437 . 0 0 "[ . 1 . 2]" 1
1377 1 73 VAL HA 1 73 VAL MG2 . . 3.530 3.173 3.167 3.192 . 0 0 "[ . 1 . 2]" 1
1378 1 73 VAL HA 1 74 GLU H . . 2.870 2.188 2.165 2.239 . 0 0 "[ . 1 . 2]" 1
1379 1 73 VAL HA 1 74 GLU HB2 . . 4.510 4.288 4.239 4.386 . 0 0 "[ . 1 . 2]" 1
1380 1 73 VAL HA 1 74 GLU HB3 . . 5.300 5.001 4.920 5.083 . 0 0 "[ . 1 . 2]" 1
1381 1 73 VAL HB 1 74 GLU H . . 3.630 3.104 2.911 3.216 . 0 0 "[ . 1 . 2]" 1
1382 1 73 VAL QG 1 74 GLU H . . 3.380 3.343 3.215 3.381 0.001 19 0 "[ . 1 . 2]" 1
1383 1 73 VAL MG1 1 74 GLU H . . 4.410 4.137 4.008 4.189 . 0 0 "[ . 1 . 2]" 1
1384 1 73 VAL MG2 1 74 GLU H . . 4.410 3.531 3.365 3.606 . 0 0 "[ . 1 . 2]" 1
1385 1 74 GLU H 1 74 GLU HB2 . . 3.130 2.271 2.210 2.335 . 0 0 "[ . 1 . 2]" 1
1386 1 74 GLU H 1 74 GLU HB3 . . 3.340 2.828 2.744 2.891 . 0 0 "[ . 1 . 2]" 1
1387 1 74 GLU H 1 74 GLU HG2 . . 4.640 4.451 4.429 4.486 . 0 0 "[ . 1 . 2]" 1
1388 1 74 GLU H 1 74 GLU QG . . 3.940 3.868 3.819 3.913 . 0 0 "[ . 1 . 2]" 1
1389 1 74 GLU H 1 74 GLU HG3 . . 4.640 4.249 4.162 4.335 . 0 0 "[ . 1 . 2]" 1
1390 1 74 GLU H 1 75 LYS H . . 5.080 4.400 4.317 4.481 . 0 0 "[ . 1 . 2]" 1
1391 1 74 GLU HA 1 74 GLU HG2 . . 3.960 2.503 2.431 2.590 . 0 0 "[ . 1 . 2]" 1
1392 1 74 GLU HA 1 74 GLU HG3 . . 3.960 2.751 2.613 2.814 . 0 0 "[ . 1 . 2]" 1
1393 1 74 GLU HA 1 75 LYS H . . 3.020 2.148 2.137 2.167 . 0 0 "[ . 1 . 2]" 1
1394 1 74 GLU HA 1 75 LYS HB2 . . 4.860 4.538 4.357 4.712 . 0 0 "[ . 1 . 2]" 1
1395 1 74 GLU HA 1 75 LYS HB3 . . 4.860 4.628 4.450 4.846 . 0 0 "[ . 1 . 2]" 1
1396 1 74 GLU HB2 1 75 LYS H . . 4.610 4.524 4.465 4.579 . 0 0 "[ . 1 . 2]" 1
1397 1 74 GLU HB3 1 75 LYS H . . 4.250 4.176 4.063 4.245 . 0 0 "[ . 1 . 2]" 1
1398 1 74 GLU HB3 1 76 SER H . . 5.500 5.298 4.931 5.501 0.001 16 0 "[ . 1 . 2]" 1
1399 1 74 GLU HG2 1 75 LYS H . . 4.470 3.177 2.946 3.442 . 0 0 "[ . 1 . 2]" 1
1400 1 74 GLU HG3 1 75 LYS H . . 4.470 4.290 4.131 4.411 . 0 0 "[ . 1 . 2]" 1
1401 1 75 LYS H 1 75 LYS HB2 . . 3.470 2.422 2.229 2.587 . 0 0 "[ . 1 . 2]" 1
1402 1 75 LYS H 1 75 LYS HB3 . . 3.470 2.658 2.476 2.940 . 0 0 "[ . 1 . 2]" 1
1403 1 75 LYS H 1 75 LYS QD . . 4.670 4.251 3.995 4.413 . 0 0 "[ . 1 . 2]" 1
1404 1 75 LYS HA 1 75 LYS QD . . 4.030 3.210 2.293 4.038 0.008 13 0 "[ . 1 . 2]" 1
1405 1 75 LYS HA 1 75 LYS QG . . 3.710 2.531 2.194 2.853 . 0 0 "[ . 1 . 2]" 1
1406 1 75 LYS HA 1 76 SER H . . 2.970 2.150 2.140 2.178 . 0 0 "[ . 1 . 2]" 1
1407 1 75 LYS QB 1 75 LYS QE . . 3.970 3.391 2.143 3.716 . 0 0 "[ . 1 . 2]" 1
1408 1 75 LYS QB 1 76 SER H . . 4.390 3.875 3.767 3.965 . 0 0 "[ . 1 . 2]" 1
1409 1 75 LYS HB2 1 75 LYS QD . . 3.600 2.243 2.075 3.220 . 0 0 "[ . 1 . 2]" 1
1410 1 75 LYS HB2 1 75 LYS QE . . 4.710 3.756 2.794 4.257 . 0 0 "[ . 1 . 2]" 1
1411 1 75 LYS HB3 1 75 LYS QD . . 3.600 2.892 2.179 3.270 . 0 0 "[ . 1 . 2]" 1
1412 1 75 LYS HB3 1 75 LYS QE . . 4.710 3.930 2.226 4.414 . 0 0 "[ . 1 . 2]" 1
1413 1 75 LYS QD 1 76 SER H . . 5.130 4.253 2.922 5.128 . 0 0 "[ . 1 . 2]" 1
1414 1 75 LYS QE 1 75 LYS QG . . 3.170 2.182 2.047 2.370 . 0 0 "[ . 1 . 2]" 1
1415 1 75 LYS QG 1 76 SER H . . 3.660 3.116 2.803 3.366 . 0 0 "[ . 1 . 2]" 1
1416 1 75 LYS QG 1 76 SER QB . . 5.230 4.437 3.672 5.233 0.003 16 0 "[ . 1 . 2]" 1
1417 1 76 SER H 1 76 SER QB . . 3.130 2.473 2.139 3.088 . 0 0 "[ . 1 . 2]" 1
1418 1 76 SER H 1 77 PRO HD2 . . 5.180 4.584 1.978 4.837 . 0 0 "[ . 1 . 2]" 1
1419 1 76 SER H 1 77 PRO QD . . 4.440 4.112 1.955 4.373 . 0 0 "[ . 1 . 2]" 1
1420 1 76 SER H 1 77 PRO HD3 . . 5.180 4.707 3.067 5.087 . 0 0 "[ . 1 . 2]" 1
1421 1 76 SER QB 1 77 PRO QG . . 5.010 3.989 3.468 5.031 0.021 10 0 "[ . 1 . 2]" 1
1422 1 77 PRO HA 1 78 ASN H . . 3.560 3.238 2.151 3.538 . 0 0 "[ . 1 . 2]" 1
1423 1 77 PRO QG 1 78 ASN H . . 5.020 3.010 2.253 4.687 . 0 0 "[ . 1 . 2]" 1
1424 1 79 ASN H 1 80 LEU H . . 4.670 3.951 2.675 4.643 . 0 0 "[ . 1 . 2]" 1
1425 1 79 ASN QB 1 80 LEU H . . 4.150 3.527 2.680 4.045 . 0 0 "[ . 1 . 2]" 1
1426 1 80 LEU H 1 80 LEU HB2 . . 4.040 2.791 2.186 3.825 . 0 0 "[ . 1 . 2]" 1
1427 1 80 LEU H 1 80 LEU QB . . 3.330 2.520 2.147 3.140 . 0 0 "[ . 1 . 2]" 1
1428 1 80 LEU H 1 80 LEU HB3 . . 4.040 3.234 2.581 3.667 . 0 0 "[ . 1 . 2]" 1
1429 1 80 LEU HA 1 80 LEU MD1 . . 4.450 3.006 2.055 3.933 . 0 0 "[ . 1 . 2]" 1
1430 1 80 LEU HA 1 80 LEU QD . . 3.330 2.589 1.957 3.338 0.008 17 0 "[ . 1 . 2]" 1
1431 1 80 LEU HA 1 80 LEU MD2 . . 4.450 3.248 1.997 4.098 . 0 0 "[ . 1 . 2]" 1
1432 1 80 LEU HA 1 80 LEU HG . . 4.120 3.180 2.323 3.717 . 0 0 "[ . 1 . 2]" 1
1433 1 80 LEU HA 1 81 GLU H . . 3.180 2.355 2.141 3.165 . 0 0 "[ . 1 . 2]" 1
1434 1 80 LEU QB 1 82 THR H . . 4.980 4.191 2.839 4.974 . 0 0 "[ . 1 . 2]" 1
1435 1 80 LEU HB2 1 81 GLU H . . 5.330 4.051 2.307 4.599 . 0 0 "[ . 1 . 2]" 1
1436 1 80 LEU HB3 1 81 GLU H . . 5.330 3.829 2.249 4.635 . 0 0 "[ . 1 . 2]" 1
1437 1 80 LEU HG 1 81 GLU H . . 5.500 4.454 2.149 5.154 . 0 0 "[ . 1 . 2]" 1
1438 1 81 GLU H 1 81 GLU HB2 . . 4.160 2.722 2.199 3.753 . 0 0 "[ . 1 . 2]" 1
1439 1 81 GLU H 1 81 GLU QB . . 3.310 2.495 2.177 3.050 . 0 0 "[ . 1 . 2]" 1
1440 1 81 GLU H 1 81 GLU HB3 . . 4.160 3.329 2.482 3.751 . 0 0 "[ . 1 . 2]" 1
1441 1 81 GLU H 1 81 GLU QG . . 4.140 3.181 1.905 4.118 . 0 0 "[ . 1 . 2]" 1
1442 1 81 GLU H 1 82 THR H . . 4.210 3.669 2.625 4.201 . 0 0 "[ . 1 . 2]" 1
1443 1 81 GLU HA 1 81 GLU QG . . 3.580 2.626 2.206 3.467 . 0 0 "[ . 1 . 2]" 1
1444 1 81 GLU HA 1 82 THR H . . 3.260 2.402 2.195 2.801 . 0 0 "[ . 1 . 2]" 1
1445 1 81 GLU QB 1 82 THR H . . 4.140 3.877 3.653 4.040 . 0 0 "[ . 1 . 2]" 1
1446 1 81 GLU QG 1 82 THR H . . 4.920 4.243 3.501 4.856 . 0 0 "[ . 1 . 2]" 1
1447 1 82 THR H 1 82 THR HB . . 3.870 3.116 2.509 3.871 0.001 16 0 "[ . 1 . 2]" 1
1448 1 82 THR H 1 82 THR MG . . 3.970 3.186 2.088 3.974 0.004 1 0 "[ . 1 . 2]" 1
1449 1 82 THR HA 1 82 THR MG . . 3.530 2.448 2.061 3.205 . 0 0 "[ . 1 . 2]" 1
1450 1 82 THR HA 1 83 TYR H . . 3.160 2.538 2.148 3.214 0.054 19 0 "[ . 1 . 2]" 1
1451 1 82 THR HA 1 83 TYR QD . . 5.420 4.340 3.078 5.420 0.000 10 0 "[ . 1 . 2]" 1
1452 1 82 THR HB 1 83 TYR H . . 4.040 3.554 2.209 4.087 0.047 19 0 "[ . 1 . 2]" 1
1453 1 82 THR MG 1 83 TYR H . . 4.550 3.518 1.977 4.416 . 0 0 "[ . 1 . 2]" 1
1454 1 83 TYR H 1 83 TYR QB . . 3.340 2.485 2.167 3.202 . 0 0 "[ . 1 . 2]" 1
1455 1 83 TYR H 1 83 TYR QD . . 4.050 2.972 2.138 3.967 . 0 0 "[ . 1 . 2]" 1
1456 1 83 TYR HA 1 83 TYR QD . . 3.760 2.766 2.332 3.076 . 0 0 "[ . 1 . 2]" 1
1457 1 83 TYR HA 1 83 TYR QE . . 4.730 4.527 4.287 4.681 . 0 0 "[ . 1 . 2]" 1
1458 1 83 TYR HA 1 84 GLU H . . 3.080 2.291 2.139 2.783 . 0 0 "[ . 1 . 2]" 1
1459 1 83 TYR QB 1 84 GLU H . . 4.110 3.216 2.258 3.882 . 0 0 "[ . 1 . 2]" 1
1460 1 83 TYR QB 1 85 TRP H . . 4.800 4.062 2.778 4.674 . 0 0 "[ . 1 . 2]" 1
1461 1 84 GLU H 1 84 GLU HB2 . . 4.170 3.057 2.201 3.844 . 0 0 "[ . 1 . 2]" 1
1462 1 84 GLU H 1 84 GLU QB . . 3.420 2.615 2.179 3.236 . 0 0 "[ . 1 . 2]" 1
1463 1 84 GLU H 1 84 GLU HB3 . . 4.170 3.083 2.456 3.745 . 0 0 "[ . 1 . 2]" 1
1464 1 84 GLU H 1 84 GLU HG2 . . 5.420 3.638 1.967 5.186 . 0 0 "[ . 1 . 2]" 1
1465 1 84 GLU H 1 84 GLU QG . . 4.630 3.198 1.938 4.357 . 0 0 "[ . 1 . 2]" 1
1466 1 84 GLU H 1 84 GLU HG3 . . 5.420 3.839 1.948 4.897 . 0 0 "[ . 1 . 2]" 1
1467 1 84 GLU H 1 85 TRP H . . 4.130 3.825 2.820 4.128 . 0 0 "[ . 1 . 2]" 1
1468 1 84 GLU HA 1 85 TRP H . . 3.220 2.305 2.139 2.806 . 0 0 "[ . 1 . 2]" 1
1469 1 84 GLU QB 1 85 TRP H . . 4.080 3.846 3.485 4.044 . 0 0 "[ . 1 . 2]" 1
1470 1 84 GLU HB2 1 85 TRP H . . 4.760 4.395 3.666 4.641 . 0 0 "[ . 1 . 2]" 1
1471 1 84 GLU HB3 1 85 TRP H . . 4.760 4.311 3.754 4.637 . 0 0 "[ . 1 . 2]" 1
1472 1 85 TRP H 1 85 TRP HB2 . . 4.080 3.057 2.218 3.765 . 0 0 "[ . 1 . 2]" 1
1473 1 85 TRP H 1 85 TRP QB . . 3.320 2.473 2.167 2.802 . 0 0 "[ . 1 . 2]" 1
1474 1 85 TRP H 1 85 TRP HB3 . . 4.080 2.950 2.400 3.634 . 0 0 "[ . 1 . 2]" 1
1475 1 85 TRP HA 1 85 TRP HD1 . . 4.650 4.052 2.866 4.641 . 0 0 "[ . 1 . 2]" 1
1476 1 85 TRP HA 1 85 TRP HE3 . . 4.710 3.755 2.270 4.540 . 0 0 "[ . 1 . 2]" 1
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