NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
415594 |
2dbm   |
10302 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2dbm
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 895
_Distance_constraint_stats_list.Viol_count 169
_Distance_constraint_stats_list.Viol_total 10.805
_Distance_constraint_stats_list.Viol_max 0.072
_Distance_constraint_stats_list.Viol_rms 0.0007
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0032
_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 7 GLY 0.091 0.072 17 0 "[ . 1 . 2]"
1 8 PRO 0.091 0.072 17 0 "[ . 1 . 2]"
1 9 CYS 0.004 0.002 11 0 "[ . 1 . 2]"
1 10 CYS 0.004 0.004 7 0 "[ . 1 . 2]"
1 11 ARG 0.027 0.011 7 0 "[ . 1 . 2]"
1 12 ALA 0.011 0.004 7 0 "[ . 1 . 2]"
1 13 LEU 0.000 0.000 13 0 "[ . 1 . 2]"
1 14 TYR 0.001 0.001 11 0 "[ . 1 . 2]"
1 15 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 PHE 0.025 0.007 16 0 "[ . 1 . 2]"
1 17 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 PRO 0.056 0.012 16 0 "[ . 1 . 2]"
1 19 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ASN 0.004 0.004 14 0 "[ . 1 . 2]"
1 21 GLU 0.011 0.006 14 0 "[ . 1 . 2]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLU 0.016 0.006 14 0 "[ . 1 . 2]"
1 24 LEU 0.030 0.007 13 0 "[ . 1 . 2]"
1 25 GLY 0.067 0.012 16 0 "[ . 1 . 2]"
1 26 PHE 0.045 0.007 13 0 "[ . 1 . 2]"
1 27 LYS 0.014 0.011 11 0 "[ . 1 . 2]"
1 28 GLU 0.001 0.001 17 0 "[ . 1 . 2]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ASP 0.008 0.003 14 0 "[ . 1 . 2]"
1 31 ILE 0.021 0.011 7 0 "[ . 1 . 2]"
1 32 ILE 0.015 0.005 7 0 "[ . 1 . 2]"
1 33 THR 0.031 0.008 13 0 "[ . 1 . 2]"
1 34 LEU 0.016 0.004 7 0 "[ . 1 . 2]"
1 35 THR 0.012 0.010 13 0 "[ . 1 . 2]"
1 36 ASN 0.009 0.003 9 0 "[ . 1 . 2]"
1 37 GLN 0.001 0.001 6 0 "[ . 1 . 2]"
1 38 ILE 0.161 0.010 3 0 "[ . 1 . 2]"
1 39 ASP 0.007 0.007 9 0 "[ . 1 . 2]"
1 40 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 TRP 0.106 0.010 5 0 "[ . 1 . 2]"
1 43 TYR 0.007 0.003 7 0 "[ . 1 . 2]"
1 44 GLU 0.000 0.000 1 0 "[ . 1 . 2]"
1 45 GLY 0.016 0.010 13 0 "[ . 1 . 2]"
1 46 MET 0.031 0.008 13 0 "[ . 1 . 2]"
1 47 LEU 0.015 0.009 15 0 "[ . 1 . 2]"
1 48 HIS 0.009 0.009 15 0 "[ . 1 . 2]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 HIS 0.001 0.001 18 0 "[ . 1 . 2]"
1 51 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 GLY 0.003 0.001 12 0 "[ . 1 . 2]"
1 53 PHE 0.005 0.003 9 0 "[ . 1 . 2]"
1 54 PHE 0.002 0.001 12 0 "[ . 1 . 2]"
1 55 PRO 0.006 0.001 4 0 "[ . 1 . 2]"
1 56 ILE 0.012 0.004 19 0 "[ . 1 . 2]"
1 57 ASN 0.004 0.004 19 0 "[ . 1 . 2]"
1 58 TYR 0.002 0.001 3 0 "[ . 1 . 2]"
1 59 VAL 0.018 0.005 7 0 "[ . 1 . 2]"
1 60 GLU 0.001 0.001 18 0 "[ . 1 . 2]"
1 61 ILE 0.001 0.001 18 0 "[ . 1 . 2]"
1 62 LEU 0.002 0.002 8 0 "[ . 1 . 2]"
1 63 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 LEU 0.000 0.000 19 0 "[ . 1 . 2]"
1 66 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 PRO 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 7 GLY QA 1 8 PRO QD . . 2.810 1.974 1.906 2.034 . 0 0 "[ . 1 . 2]" 1
2 1 7 GLY HA2 1 8 PRO HD2 . . 3.660 2.882 2.356 3.732 0.072 17 0 "[ . 1 . 2]" 1
3 1 7 GLY HA2 1 8 PRO HD3 . . 3.660 2.652 2.283 3.679 0.019 17 0 "[ . 1 . 2]" 1
4 1 7 GLY HA3 1 8 PRO HD2 . . 3.660 2.234 1.997 2.676 . 0 0 "[ . 1 . 2]" 1
5 1 7 GLY HA3 1 8 PRO HD3 . . 3.660 3.040 2.252 3.539 . 0 0 "[ . 1 . 2]" 1
6 1 8 PRO HA 1 9 CYS H . . 2.970 2.159 2.151 2.180 . 0 0 "[ . 1 . 2]" 1
7 1 8 PRO HA 1 34 LEU MD1 . . 4.840 3.612 3.291 3.846 . 0 0 "[ . 1 . 2]" 1
8 1 8 PRO HA 1 63 VAL H . . 4.500 4.311 4.126 4.499 . 0 0 "[ . 1 . 2]" 1
9 1 8 PRO HA 1 63 VAL HB . . 3.280 2.046 1.996 2.212 . 0 0 "[ . 1 . 2]" 1
10 1 8 PRO HA 1 63 VAL MG1 . . 3.290 2.131 1.935 2.570 . 0 0 "[ . 1 . 2]" 1
11 1 8 PRO HB2 1 34 LEU H . . 4.650 4.457 3.995 4.648 . 0 0 "[ . 1 . 2]" 1
12 1 8 PRO HB2 1 34 LEU HB2 . . 3.840 2.355 2.087 2.523 . 0 0 "[ . 1 . 2]" 1
13 1 8 PRO HB2 1 34 LEU HB3 . . 4.450 3.372 3.032 3.652 . 0 0 "[ . 1 . 2]" 1
14 1 8 PRO HB2 1 34 LEU MD1 . . 4.270 2.192 1.955 2.547 . 0 0 "[ . 1 . 2]" 1
15 1 8 PRO HB2 1 65 LEU HA . . 4.550 3.457 3.188 3.921 . 0 0 "[ . 1 . 2]" 1
16 1 8 PRO HB2 1 65 LEU MD2 . . 3.800 2.512 2.060 3.194 . 0 0 "[ . 1 . 2]" 1
17 1 8 PRO HB2 1 66 PRO QD . . 5.100 4.085 3.731 4.606 . 0 0 "[ . 1 . 2]" 1
18 1 8 PRO HB3 1 9 CYS H . . 4.330 4.117 3.875 4.253 . 0 0 "[ . 1 . 2]" 1
19 1 8 PRO HB3 1 34 LEU HB2 . . 4.190 4.056 3.848 4.185 . 0 0 "[ . 1 . 2]" 1
20 1 8 PRO HB3 1 34 LEU HB3 . . 5.500 4.980 4.626 5.290 . 0 0 "[ . 1 . 2]" 1
21 1 8 PRO HB3 1 34 LEU MD1 . . 4.070 3.528 3.355 3.774 . 0 0 "[ . 1 . 2]" 1
22 1 8 PRO HB3 1 65 LEU HA . . 3.960 2.721 2.347 3.143 . 0 0 "[ . 1 . 2]" 1
23 1 8 PRO HB3 1 65 LEU MD2 . . 3.770 3.051 2.641 3.449 . 0 0 "[ . 1 . 2]" 1
24 1 8 PRO HB3 1 65 LEU HG . . 4.270 3.811 3.214 4.114 . 0 0 "[ . 1 . 2]" 1
25 1 8 PRO HB3 1 66 PRO QD . . 5.260 3.259 2.951 3.712 . 0 0 "[ . 1 . 2]" 1
26 1 8 PRO HG2 1 65 LEU HA . . 4.690 4.529 4.241 4.669 . 0 0 "[ . 1 . 2]" 1
27 1 8 PRO HG2 1 65 LEU MD2 . . 3.650 2.785 2.387 3.246 . 0 0 "[ . 1 . 2]" 1
28 1 8 PRO HG3 1 63 VAL MG1 . . 4.330 4.148 3.961 4.308 . 0 0 "[ . 1 . 2]" 1
29 1 8 PRO HG3 1 65 LEU HA . . 3.720 3.261 2.916 3.574 . 0 0 "[ . 1 . 2]" 1
30 1 8 PRO HG3 1 65 LEU MD2 . . 3.870 2.353 1.977 2.818 . 0 0 "[ . 1 . 2]" 1
31 1 8 PRO HG3 1 66 PRO QD . . 3.500 2.542 2.245 2.816 . 0 0 "[ . 1 . 2]" 1
32 1 9 CYS H 1 34 LEU MD1 . . 4.060 3.112 2.732 3.481 . 0 0 "[ . 1 . 2]" 1
33 1 9 CYS H 1 62 LEU H . . 5.010 4.804 4.600 4.976 . 0 0 "[ . 1 . 2]" 1
34 1 9 CYS H 1 62 LEU HB2 . . 4.710 4.375 4.147 4.516 . 0 0 "[ . 1 . 2]" 1
35 1 9 CYS H 1 63 VAL H . . 3.570 3.483 3.310 3.568 . 0 0 "[ . 1 . 2]" 1
36 1 9 CYS H 1 63 VAL HB . . 3.290 2.329 2.137 2.545 . 0 0 "[ . 1 . 2]" 1
37 1 9 CYS H 1 63 VAL MG1 . . 4.340 3.635 3.427 3.894 . 0 0 "[ . 1 . 2]" 1
38 1 9 CYS H 1 63 VAL MG2 . . 4.510 3.236 2.948 3.570 . 0 0 "[ . 1 . 2]" 1
39 1 9 CYS HA 1 10 CYS H . . 3.140 2.421 2.301 2.539 . 0 0 "[ . 1 . 2]" 1
40 1 9 CYS HA 1 33 THR HA . . 3.610 2.939 2.411 3.493 . 0 0 "[ . 1 . 2]" 1
41 1 9 CYS HA 1 33 THR MG . . 4.700 4.124 3.164 4.512 . 0 0 "[ . 1 . 2]" 1
42 1 9 CYS HA 1 34 LEU H . . 3.520 3.273 2.775 3.521 0.001 4 0 "[ . 1 . 2]" 1
43 1 9 CYS HA 1 34 LEU HB3 . . 5.270 4.845 4.489 5.180 . 0 0 "[ . 1 . 2]" 1
44 1 9 CYS HA 1 34 LEU MD1 . . 4.320 2.626 2.177 3.019 . 0 0 "[ . 1 . 2]" 1
45 1 9 CYS HA 1 34 LEU HG . . 3.740 2.560 2.014 3.387 . 0 0 "[ . 1 . 2]" 1
46 1 9 CYS QB 1 10 CYS H . . 3.210 2.435 2.188 2.951 . 0 0 "[ . 1 . 2]" 1
47 1 9 CYS QB 1 31 ILE MG . . 3.430 2.006 1.797 3.212 . 0 0 "[ . 1 . 2]" 1
48 1 9 CYS QB 1 33 THR HA . . 3.700 3.116 2.645 3.603 . 0 0 "[ . 1 . 2]" 1
49 1 9 CYS QB 1 34 LEU H . . 4.550 4.253 3.569 4.552 0.002 11 0 "[ . 1 . 2]" 1
50 1 9 CYS HB2 1 10 CYS H . . 3.950 2.847 2.272 3.853 . 0 0 "[ . 1 . 2]" 1
51 1 9 CYS HB2 1 31 ILE MG . . 4.070 2.289 1.831 4.068 . 0 0 "[ . 1 . 2]" 1
52 1 9 CYS HB2 1 33 THR HA . . 4.350 3.812 2.929 4.350 . 0 0 "[ . 1 . 2]" 1
53 1 9 CYS HB3 1 10 CYS H . . 3.950 3.335 2.217 3.943 . 0 0 "[ . 1 . 2]" 1
54 1 9 CYS HB3 1 31 ILE MG . . 4.070 2.791 1.852 3.434 . 0 0 "[ . 1 . 2]" 1
55 1 9 CYS HB3 1 33 THR HA . . 4.350 3.394 2.964 4.351 0.001 3 0 "[ . 1 . 2]" 1
56 1 10 CYS H 1 31 ILE MG . . 4.040 2.681 2.220 3.068 . 0 0 "[ . 1 . 2]" 1
57 1 10 CYS H 1 32 ILE H . . 3.870 3.182 2.713 3.541 . 0 0 "[ . 1 . 2]" 1
58 1 10 CYS H 1 34 LEU H . . 5.330 5.167 4.786 5.334 0.004 7 0 "[ . 1 . 2]" 1
59 1 10 CYS H 1 34 LEU MD1 . . 4.690 3.543 3.067 3.856 . 0 0 "[ . 1 . 2]" 1
60 1 10 CYS H 1 34 LEU MD2 . . 5.300 4.331 3.790 5.078 . 0 0 "[ . 1 . 2]" 1
61 1 10 CYS H 1 34 LEU HG . . 4.110 3.483 3.046 4.002 . 0 0 "[ . 1 . 2]" 1
62 1 10 CYS HA 1 11 ARG H . . 3.210 2.351 2.180 2.512 . 0 0 "[ . 1 . 2]" 1
63 1 10 CYS HA 1 31 ILE MG . . 4.730 4.131 3.715 4.566 . 0 0 "[ . 1 . 2]" 1
64 1 10 CYS HA 1 34 LEU MD1 . . 5.000 3.913 3.415 4.324 . 0 0 "[ . 1 . 2]" 1
65 1 10 CYS HA 1 61 ILE HA . . 3.600 3.068 2.696 3.442 . 0 0 "[ . 1 . 2]" 1
66 1 10 CYS HA 1 61 ILE MD . . 4.890 3.488 3.112 4.030 . 0 0 "[ . 1 . 2]" 1
67 1 10 CYS HA 1 61 ILE MG . . 5.280 4.507 4.187 4.898 . 0 0 "[ . 1 . 2]" 1
68 1 10 CYS HA 1 62 LEU H . . 3.300 2.816 2.501 3.113 . 0 0 "[ . 1 . 2]" 1
69 1 10 CYS HA 1 62 LEU HB2 . . 4.700 4.176 3.849 4.416 . 0 0 "[ . 1 . 2]" 1
70 1 10 CYS HA 1 62 LEU MD1 . . 4.390 3.351 2.649 3.810 . 0 0 "[ . 1 . 2]" 1
71 1 10 CYS HA 1 62 LEU MD2 . . 4.690 4.500 4.180 4.689 . 0 0 "[ . 1 . 2]" 1
72 1 10 CYS HA 1 62 LEU HG . . 3.630 3.057 2.760 3.301 . 0 0 "[ . 1 . 2]" 1
73 1 10 CYS HA 1 63 VAL H . . 4.700 4.378 4.072 4.614 . 0 0 "[ . 1 . 2]" 1
74 1 10 CYS QB 1 11 ARG H . . 3.380 2.581 2.219 3.023 . 0 0 "[ . 1 . 2]" 1
75 1 10 CYS QB 1 34 LEU MD1 . . 3.790 2.572 2.113 3.080 . 0 0 "[ . 1 . 2]" 1
76 1 10 CYS QB 1 34 LEU MD2 . . 4.310 3.226 2.585 3.986 . 0 0 "[ . 1 . 2]" 1
77 1 10 CYS QB 1 34 LEU HG . . 4.620 3.673 2.855 4.171 . 0 0 "[ . 1 . 2]" 1
78 1 10 CYS QB 1 59 VAL HB . . 3.520 2.769 2.420 3.297 . 0 0 "[ . 1 . 2]" 1
79 1 10 CYS QB 1 59 VAL MG1 . . 4.320 4.036 3.788 4.302 . 0 0 "[ . 1 . 2]" 1
80 1 10 CYS QB 1 60 GLU H . . 4.460 3.613 3.156 4.102 . 0 0 "[ . 1 . 2]" 1
81 1 10 CYS QB 1 61 ILE HA . . 3.380 2.687 2.190 3.125 . 0 0 "[ . 1 . 2]" 1
82 1 10 CYS QB 1 61 ILE MD . . 3.540 1.931 1.713 2.406 . 0 0 "[ . 1 . 2]" 1
83 1 10 CYS QB 1 61 ILE MG . . 4.470 3.829 3.342 4.117 . 0 0 "[ . 1 . 2]" 1
84 1 10 CYS QB 1 62 LEU H . . 4.040 3.699 3.188 4.038 . 0 0 "[ . 1 . 2]" 1
85 1 10 CYS HB2 1 11 ARG H . . 4.120 2.623 2.238 3.117 . 0 0 "[ . 1 . 2]" 1
86 1 10 CYS HB2 1 59 VAL MG2 . . 3.800 2.649 2.152 2.915 . 0 0 "[ . 1 . 2]" 1
87 1 10 CYS HB2 1 61 ILE HA . . 3.900 3.125 2.819 3.567 . 0 0 "[ . 1 . 2]" 1
88 1 10 CYS HB2 1 61 ILE MD . . 4.250 2.406 2.014 2.855 . 0 0 "[ . 1 . 2]" 1
89 1 10 CYS HB2 1 62 LEU H . . 4.590 4.285 3.988 4.570 . 0 0 "[ . 1 . 2]" 1
90 1 10 CYS HB3 1 11 ARG H . . 4.120 3.899 3.686 4.068 . 0 0 "[ . 1 . 2]" 1
91 1 10 CYS HB3 1 59 VAL MG2 . . 3.800 3.456 3.178 3.677 . 0 0 "[ . 1 . 2]" 1
92 1 10 CYS HB3 1 61 ILE HA . . 3.900 2.974 2.250 3.454 . 0 0 "[ . 1 . 2]" 1
93 1 10 CYS HB3 1 61 ILE MD . . 4.250 2.046 1.804 2.658 . 0 0 "[ . 1 . 2]" 1
94 1 10 CYS HB3 1 62 LEU H . . 4.590 4.080 3.316 4.503 . 0 0 "[ . 1 . 2]" 1
95 1 11 ARG H 1 11 ARG HB2 . . 3.930 2.996 2.736 3.750 . 0 0 "[ . 1 . 2]" 1
96 1 11 ARG H 1 11 ARG QB . . 3.380 2.443 2.310 2.631 . 0 0 "[ . 1 . 2]" 1
97 1 11 ARG H 1 11 ARG HB3 . . 3.930 2.609 2.427 2.882 . 0 0 "[ . 1 . 2]" 1
98 1 11 ARG H 1 11 ARG QG . . 4.310 3.963 2.457 4.151 . 0 0 "[ . 1 . 2]" 1
99 1 11 ARG H 1 31 ILE MD . . 4.680 4.113 3.285 4.691 0.011 7 0 "[ . 1 . 2]" 1
100 1 11 ARG H 1 59 VAL HB . . 4.640 3.590 3.125 4.218 . 0 0 "[ . 1 . 2]" 1
101 1 11 ARG H 1 59 VAL MG2 . . 4.660 4.377 3.813 4.664 0.004 7 0 "[ . 1 . 2]" 1
102 1 11 ARG H 1 60 GLU H . . 3.800 3.040 2.530 3.604 . 0 0 "[ . 1 . 2]" 1
103 1 11 ARG H 1 60 GLU QB . . 4.370 3.507 2.841 4.369 . 0 0 "[ . 1 . 2]" 1
104 1 11 ARG H 1 61 ILE HA . . 4.660 4.182 3.776 4.660 . 0 0 "[ . 1 . 2]" 1
105 1 11 ARG H 1 61 ILE MD . . 5.370 4.396 3.900 5.250 . 0 0 "[ . 1 . 2]" 1
106 1 11 ARG H 1 62 LEU H . . 4.660 4.208 3.928 4.501 . 0 0 "[ . 1 . 2]" 1
107 1 11 ARG H 1 62 LEU MD1 . . 4.620 3.530 2.487 4.128 . 0 0 "[ . 1 . 2]" 1
108 1 11 ARG H 1 62 LEU MD2 . . 4.620 4.130 3.609 4.516 . 0 0 "[ . 1 . 2]" 1
109 1 11 ARG H 1 62 LEU HG . . 3.940 3.404 3.136 3.717 . 0 0 "[ . 1 . 2]" 1
110 1 11 ARG HA 1 11 ARG QG . . 3.610 2.501 2.263 3.293 . 0 0 "[ . 1 . 2]" 1
111 1 11 ARG HA 1 12 ALA H . . 2.940 2.214 2.156 2.367 . 0 0 "[ . 1 . 2]" 1
112 1 11 ARG HA 1 12 ALA MB . . 4.560 3.953 3.888 3.991 . 0 0 "[ . 1 . 2]" 1
113 1 11 ARG HA 1 31 ILE MD . . 3.770 2.317 1.958 3.180 . 0 0 "[ . 1 . 2]" 1
114 1 11 ARG HA 1 32 ILE H . . 4.380 3.696 3.192 4.167 . 0 0 "[ . 1 . 2]" 1
115 1 11 ARG QB 1 31 ILE MD . . 4.310 2.461 1.733 3.373 . 0 0 "[ . 1 . 2]" 1
116 1 11 ARG QB 1 60 GLU H . . 4.640 3.619 3.218 4.539 . 0 0 "[ . 1 . 2]" 1
117 1 11 ARG QB 1 62 LEU MD1 . . 4.000 2.581 2.037 3.064 . 0 0 "[ . 1 . 2]" 1
118 1 11 ARG QB 1 62 LEU MD2 . . 4.010 3.347 2.592 4.012 0.002 8 0 "[ . 1 . 2]" 1
119 1 11 ARG HB2 1 60 GLU H . . 5.480 5.053 4.637 5.481 0.001 14 0 "[ . 1 . 2]" 1
120 1 11 ARG HB3 1 60 GLU H . . 5.480 3.719 3.271 4.972 . 0 0 "[ . 1 . 2]" 1
121 1 11 ARG QD 1 29 GLY QA . . 4.310 3.308 1.988 4.280 . 0 0 "[ . 1 . 2]" 1
122 1 11 ARG QD 1 62 LEU MD2 . . 4.580 3.970 3.160 4.579 . 0 0 "[ . 1 . 2]" 1
123 1 11 ARG HD2 1 31 ILE MD . . 4.330 3.424 1.948 4.320 . 0 0 "[ . 1 . 2]" 1
124 1 11 ARG HD3 1 31 ILE MD . . 4.330 3.550 1.853 4.332 0.002 13 0 "[ . 1 . 2]" 1
125 1 11 ARG QG 1 12 ALA H . . 3.920 2.470 2.003 3.328 . 0 0 "[ . 1 . 2]" 1
126 1 11 ARG QG 1 29 GLY QA . . 3.810 2.820 2.055 3.786 . 0 0 "[ . 1 . 2]" 1
127 1 11 ARG QG 1 31 ILE MD . . 3.500 2.422 1.801 3.494 . 0 0 "[ . 1 . 2]" 1
128 1 12 ALA H 1 12 ALA MB . . 3.100 2.232 2.097 2.371 . 0 0 "[ . 1 . 2]" 1
129 1 12 ALA H 1 13 LEU H . . 4.970 4.537 4.360 4.607 . 0 0 "[ . 1 . 2]" 1
130 1 12 ALA H 1 30 ASP H . . 4.640 3.849 2.345 4.606 . 0 0 "[ . 1 . 2]" 1
131 1 12 ALA H 1 31 ILE MD . . 4.550 3.602 3.115 4.082 . 0 0 "[ . 1 . 2]" 1
132 1 12 ALA H 1 32 ILE MD . . 4.320 3.725 3.248 4.324 0.004 7 0 "[ . 1 . 2]" 1
133 1 12 ALA H 1 59 VAL MG1 . . 4.500 3.906 3.392 4.500 . 0 0 "[ . 1 . 2]" 1
134 1 12 ALA HA 1 13 LEU H . . 3.090 2.195 2.142 2.324 . 0 0 "[ . 1 . 2]" 1
135 1 12 ALA HA 1 14 TYR H . . 4.230 3.830 3.516 4.197 . 0 0 "[ . 1 . 2]" 1
136 1 12 ALA HA 1 32 ILE MD . . 4.450 3.926 3.304 4.453 0.003 7 0 "[ . 1 . 2]" 1
137 1 12 ALA HA 1 59 VAL HA . . 3.490 2.305 2.000 2.622 . 0 0 "[ . 1 . 2]" 1
138 1 12 ALA HA 1 59 VAL HB . . 4.490 3.155 2.775 3.482 . 0 0 "[ . 1 . 2]" 1
139 1 12 ALA HA 1 59 VAL MG1 . . 3.170 2.186 1.962 2.530 . 0 0 "[ . 1 . 2]" 1
140 1 12 ALA HA 1 60 GLU H . . 4.620 3.753 3.529 4.043 . 0 0 "[ . 1 . 2]" 1
141 1 12 ALA MB 1 13 LEU H . . 3.980 2.972 2.631 3.257 . 0 0 "[ . 1 . 2]" 1
142 1 12 ALA MB 1 14 TYR H . . 3.750 3.173 2.796 3.567 . 0 0 "[ . 1 . 2]" 1
143 1 12 ALA MB 1 26 PHE QB . . 3.510 2.731 2.342 3.113 . 0 0 "[ . 1 . 2]" 1
144 1 12 ALA MB 1 26 PHE QD . . 3.340 2.845 2.348 3.205 . 0 0 "[ . 1 . 2]" 1
145 1 12 ALA MB 1 26 PHE QE . . 3.940 3.564 2.799 3.932 . 0 0 "[ . 1 . 2]" 1
146 1 12 ALA MB 1 27 LYS H . . 4.590 3.371 2.880 3.999 . 0 0 "[ . 1 . 2]" 1
147 1 12 ALA MB 1 28 GLU HA . . 3.540 2.407 1.979 2.981 . 0 0 "[ . 1 . 2]" 1
148 1 12 ALA MB 1 29 GLY H . . 3.550 2.438 1.995 3.234 . 0 0 "[ . 1 . 2]" 1
149 1 12 ALA MB 1 30 ASP H . . 3.480 2.829 1.878 3.483 0.003 14 0 "[ . 1 . 2]" 1
150 1 12 ALA MB 1 30 ASP HB2 . . 3.950 3.105 2.442 3.772 . 0 0 "[ . 1 . 2]" 1
151 1 12 ALA MB 1 30 ASP HB3 . . 4.700 4.204 3.585 4.647 . 0 0 "[ . 1 . 2]" 1
152 1 12 ALA MB 1 32 ILE MD . . 3.670 2.525 2.195 2.961 . 0 0 "[ . 1 . 2]" 1
153 1 12 ALA MB 1 59 VAL HA . . 4.230 3.916 3.660 4.229 . 0 0 "[ . 1 . 2]" 1
154 1 12 ALA MB 1 59 VAL MG1 . . 3.950 2.480 2.072 2.913 . 0 0 "[ . 1 . 2]" 1
155 1 13 LEU H 1 13 LEU QB . . 3.410 2.441 2.303 2.562 . 0 0 "[ . 1 . 2]" 1
156 1 13 LEU H 1 13 LEU MD1 . . 4.320 3.560 3.184 4.060 . 0 0 "[ . 1 . 2]" 1
157 1 13 LEU H 1 13 LEU MD2 . . 4.320 3.854 3.514 4.074 . 0 0 "[ . 1 . 2]" 1
158 1 13 LEU H 1 13 LEU HG . . 3.900 2.669 2.284 3.094 . 0 0 "[ . 1 . 2]" 1
159 1 13 LEU H 1 14 TYR H . . 3.170 2.187 1.958 2.496 . 0 0 "[ . 1 . 2]" 1
160 1 13 LEU H 1 59 VAL HA . . 3.370 2.804 2.354 3.111 . 0 0 "[ . 1 . 2]" 1
161 1 13 LEU H 1 59 VAL HB . . 5.040 4.771 4.284 5.040 . 9 0 "[ . 1 . 2]" 1
162 1 13 LEU H 1 59 VAL MG1 . . 4.300 3.436 3.223 3.773 . 0 0 "[ . 1 . 2]" 1
163 1 13 LEU H 1 60 GLU H . . 4.670 4.379 3.673 4.670 0.000 13 0 "[ . 1 . 2]" 1
164 1 13 LEU HA 1 13 LEU MD1 . . 4.080 3.916 3.857 3.981 . 0 0 "[ . 1 . 2]" 1
165 1 13 LEU HA 1 13 LEU QD . . 2.940 2.286 1.984 2.509 . 0 0 "[ . 1 . 2]" 1
166 1 13 LEU HA 1 13 LEU MD2 . . 4.080 2.302 1.990 2.538 . 0 0 "[ . 1 . 2]" 1
167 1 13 LEU HA 1 13 LEU HG . . 3.930 2.936 2.801 3.192 . 0 0 "[ . 1 . 2]" 1
168 1 13 LEU HA 1 28 GLU QG . . 4.360 3.200 2.486 3.947 . 0 0 "[ . 1 . 2]" 1
169 1 13 LEU QB 1 14 TYR QD . . 3.730 2.325 1.964 3.072 . 0 0 "[ . 1 . 2]" 1
170 1 13 LEU QB 1 14 TYR QE . . 4.200 2.951 2.557 3.661 . 0 0 "[ . 1 . 2]" 1
171 1 13 LEU HB2 1 14 TYR H . . 4.090 2.882 2.613 3.142 . 0 0 "[ . 1 . 2]" 1
172 1 13 LEU HB2 1 14 TYR QD . . 4.290 2.442 2.063 3.257 . 0 0 "[ . 1 . 2]" 1
173 1 13 LEU HB3 1 14 TYR H . . 4.090 3.856 3.554 4.067 . 0 0 "[ . 1 . 2]" 1
174 1 13 LEU HB3 1 14 TYR QD . . 4.290 2.978 2.389 3.943 . 0 0 "[ . 1 . 2]" 1
175 1 13 LEU QD 1 14 TYR QD . . 4.870 3.487 3.241 4.011 . 0 0 "[ . 1 . 2]" 1
176 1 13 LEU QD 1 14 TYR QE . . 4.100 3.418 2.814 3.843 . 0 0 "[ . 1 . 2]" 1
177 1 13 LEU QD 1 59 VAL HA . . 5.250 3.414 2.847 3.903 . 0 0 "[ . 1 . 2]" 1
178 1 13 LEU QD 1 60 GLU H . . 4.060 3.421 2.879 3.824 . 0 0 "[ . 1 . 2]" 1
179 1 13 LEU QD 1 60 GLU QB . . 3.090 2.520 2.178 3.042 . 0 0 "[ . 1 . 2]" 1
180 1 13 LEU QD 1 60 GLU QG . . 4.000 3.394 1.804 3.989 . 0 0 "[ . 1 . 2]" 1
181 1 13 LEU MD1 1 60 GLU H . . 4.810 3.662 2.965 4.183 . 0 0 "[ . 1 . 2]" 1
182 1 13 LEU MD1 1 60 GLU QB . . 3.650 2.758 2.423 3.487 . 0 0 "[ . 1 . 2]" 1
183 1 13 LEU MD1 1 60 GLU HG2 . . 5.500 4.294 2.066 5.499 . 0 0 "[ . 1 . 2]" 1
184 1 13 LEU MD1 1 60 GLU HG3 . . 5.500 4.401 3.475 5.490 . 0 0 "[ . 1 . 2]" 1
185 1 13 LEU MD2 1 60 GLU H . . 4.810 4.174 3.727 4.606 . 0 0 "[ . 1 . 2]" 1
186 1 13 LEU MD2 1 60 GLU QB . . 3.650 3.000 2.305 3.597 . 0 0 "[ . 1 . 2]" 1
187 1 13 LEU MD2 1 60 GLU HG2 . . 5.500 4.475 2.036 5.497 . 0 0 "[ . 1 . 2]" 1
188 1 13 LEU MD2 1 60 GLU HG3 . . 5.500 4.639 2.908 5.459 . 0 0 "[ . 1 . 2]" 1
189 1 13 LEU HG 1 59 VAL HA . . 4.370 3.131 2.758 3.678 . 0 0 "[ . 1 . 2]" 1
190 1 13 LEU HG 1 60 GLU H . . 4.000 3.304 2.810 3.752 . 0 0 "[ . 1 . 2]" 1
191 1 13 LEU HG 1 60 GLU QB . . 4.150 3.221 2.618 3.690 . 0 0 "[ . 1 . 2]" 1
192 1 14 TYR H 1 14 TYR HB2 . . 3.930 2.724 2.595 2.867 . 0 0 "[ . 1 . 2]" 1
193 1 14 TYR H 1 14 TYR QD . . 4.280 3.134 2.753 3.823 . 0 0 "[ . 1 . 2]" 1
194 1 14 TYR H 1 28 GLU HA . . 4.100 3.717 3.323 3.965 . 0 0 "[ . 1 . 2]" 1
195 1 14 TYR H 1 59 VAL HA . . 5.030 4.757 4.241 5.017 . 0 0 "[ . 1 . 2]" 1
196 1 14 TYR HB2 1 15 ASP H . . 4.250 3.354 3.203 3.558 . 0 0 "[ . 1 . 2]" 1
197 1 14 TYR HB2 1 26 PHE QE . . 4.070 3.774 3.495 4.042 . 0 0 "[ . 1 . 2]" 1
198 1 14 TYR HB2 1 26 PHE HZ . . 4.920 4.801 4.357 4.920 . 11 0 "[ . 1 . 2]" 1
199 1 14 TYR HB3 1 15 ASP H . . 3.660 2.054 1.933 2.230 . 0 0 "[ . 1 . 2]" 1
200 1 14 TYR HB3 1 26 PHE QE . . 4.680 4.441 3.737 4.681 0.001 11 0 "[ . 1 . 2]" 1
201 1 14 TYR QD 1 15 ASP H . . 4.950 3.498 3.250 3.723 . 0 0 "[ . 1 . 2]" 1
202 1 15 ASP H 1 15 ASP HB2 . . 3.840 3.205 2.474 3.701 . 0 0 "[ . 1 . 2]" 1
203 1 15 ASP H 1 15 ASP QB . . 3.260 2.592 2.287 2.971 . 0 0 "[ . 1 . 2]" 1
204 1 15 ASP H 1 15 ASP HB3 . . 3.840 3.021 2.367 3.734 . 0 0 "[ . 1 . 2]" 1
205 1 15 ASP H 1 28 GLU H . . 4.720 4.456 3.986 4.713 . 0 0 "[ . 1 . 2]" 1
206 1 15 ASP H 1 28 GLU HB2 . . 4.350 3.763 3.245 4.308 . 0 0 "[ . 1 . 2]" 1
207 1 16 PHE H 1 16 PHE HB2 . . 4.020 3.275 2.704 3.511 . 0 0 "[ . 1 . 2]" 1
208 1 16 PHE H 1 16 PHE QB . . 3.410 2.533 2.288 2.660 . 0 0 "[ . 1 . 2]" 1
209 1 16 PHE H 1 16 PHE HB3 . . 4.020 2.640 2.403 2.795 . 0 0 "[ . 1 . 2]" 1
210 1 16 PHE H 1 26 PHE H . . 3.820 3.330 2.751 3.748 . 0 0 "[ . 1 . 2]" 1
211 1 16 PHE H 1 26 PHE QD . . 4.220 2.805 2.454 3.371 . 0 0 "[ . 1 . 2]" 1
212 1 16 PHE H 1 27 LYS HA . . 4.050 3.568 3.283 3.875 . 0 0 "[ . 1 . 2]" 1
213 1 16 PHE QB 1 17 GLU H . . 4.470 3.600 3.295 3.804 . 0 0 "[ . 1 . 2]" 1
214 1 16 PHE QB 1 26 PHE H . . 3.710 2.653 1.956 2.858 . 0 0 "[ . 1 . 2]" 1
215 1 16 PHE QB 1 26 PHE QE . . 3.750 2.435 2.218 3.050 . 0 0 "[ . 1 . 2]" 1
216 1 16 PHE QB 1 26 PHE HZ . . 3.950 2.391 2.130 3.055 . 0 0 "[ . 1 . 2]" 1
217 1 16 PHE QB 1 58 TYR QD . . 4.340 3.673 3.189 4.295 . 0 0 "[ . 1 . 2]" 1
218 1 16 PHE HB2 1 26 PHE H . . 4.590 4.387 3.511 4.597 0.007 16 0 "[ . 1 . 2]" 1
219 1 16 PHE HB2 1 26 PHE QD . . 4.720 4.125 3.808 4.323 . 0 0 "[ . 1 . 2]" 1
220 1 16 PHE HB2 1 26 PHE QE . . 4.550 2.679 2.448 3.201 . 0 0 "[ . 1 . 2]" 1
221 1 16 PHE HB2 1 26 PHE HZ . . 4.790 2.505 2.203 3.117 . 0 0 "[ . 1 . 2]" 1
222 1 16 PHE HB3 1 26 PHE H . . 4.590 2.675 1.966 2.887 . 0 0 "[ . 1 . 2]" 1
223 1 16 PHE HB3 1 26 PHE QD . . 4.720 3.260 3.047 3.676 . 0 0 "[ . 1 . 2]" 1
224 1 16 PHE HB3 1 26 PHE QE . . 4.550 2.825 2.538 3.837 . 0 0 "[ . 1 . 2]" 1
225 1 16 PHE HB3 1 26 PHE HZ . . 4.790 3.096 2.808 4.398 . 0 0 "[ . 1 . 2]" 1
226 1 16 PHE QD 1 17 GLU H . . 3.900 2.674 2.021 3.378 . 0 0 "[ . 1 . 2]" 1
227 1 16 PHE QD 1 25 GLY HA2 . . 4.440 2.443 2.000 2.839 . 0 0 "[ . 1 . 2]" 1
228 1 16 PHE QD 1 25 GLY QA . . 3.610 2.425 1.992 2.808 . 0 0 "[ . 1 . 2]" 1
229 1 16 PHE QD 1 25 GLY HA3 . . 4.440 4.106 3.716 4.444 0.004 8 0 "[ . 1 . 2]" 1
230 1 16 PHE QD 1 26 PHE H . . 4.470 2.896 2.476 3.240 . 0 0 "[ . 1 . 2]" 1
231 1 16 PHE QD 1 54 PHE HB2 . . 4.900 4.442 3.744 4.784 . 0 0 "[ . 1 . 2]" 1
232 1 16 PHE QD 1 55 PRO HD2 . . 4.340 3.532 2.907 3.975 . 0 0 "[ . 1 . 2]" 1
233 1 16 PHE QD 1 55 PRO HG3 . . 5.090 4.091 3.207 4.530 . 0 0 "[ . 1 . 2]" 1
234 1 16 PHE QE 1 18 PRO HA . . 4.250 3.360 2.560 3.823 . 0 0 "[ . 1 . 2]" 1
235 1 16 PHE QE 1 18 PRO QB . . 4.580 4.111 2.689 4.571 . 0 0 "[ . 1 . 2]" 1
236 1 16 PHE QE 1 23 GLU QB . . 3.570 2.942 2.345 3.576 0.006 8 0 "[ . 1 . 2]" 1
237 1 16 PHE QE 1 23 GLU QG . . 5.150 4.228 3.722 4.809 . 0 0 "[ . 1 . 2]" 1
238 1 16 PHE QE 1 24 LEU H . . 4.150 3.755 2.879 4.151 0.001 14 0 "[ . 1 . 2]" 1
239 1 16 PHE QE 1 54 PHE HA . . 4.460 4.010 3.232 4.359 . 0 0 "[ . 1 . 2]" 1
240 1 16 PHE QE 1 54 PHE HB3 . . 5.150 4.757 4.001 5.147 . 0 0 "[ . 1 . 2]" 1
241 1 16 PHE QE 1 55 PRO HD2 . . 4.410 3.841 3.353 4.258 . 0 0 "[ . 1 . 2]" 1
242 1 16 PHE QE 1 55 PRO HD3 . . 4.550 3.489 2.815 4.124 . 0 0 "[ . 1 . 2]" 1
243 1 16 PHE HZ 1 23 GLU QB . . 4.640 3.630 2.092 4.551 . 0 0 "[ . 1 . 2]" 1
244 1 16 PHE HZ 1 23 GLU QG . . 5.320 4.046 2.947 4.779 . 0 0 "[ . 1 . 2]" 1
245 1 16 PHE HZ 1 55 PRO HD2 . . 5.500 5.344 4.735 5.501 0.001 20 0 "[ . 1 . 2]" 1
246 1 17 GLU H 1 17 GLU QB . . 3.320 2.589 2.400 3.113 . 0 0 "[ . 1 . 2]" 1
247 1 17 GLU H 1 17 GLU QG . . 4.340 3.053 1.902 4.166 . 0 0 "[ . 1 . 2]" 1
248 1 17 GLU H 1 18 PRO QD . . 4.880 4.225 3.671 4.364 . 0 0 "[ . 1 . 2]" 1
249 1 17 GLU HA 1 18 PRO QD . . 2.890 1.972 1.872 2.012 . 0 0 "[ . 1 . 2]" 1
250 1 17 GLU QB 1 18 PRO QD . . 4.250 2.642 2.236 3.737 . 0 0 "[ . 1 . 2]" 1
251 1 17 GLU QG 1 18 PRO QD . . 4.750 3.348 1.972 4.121 . 0 0 "[ . 1 . 2]" 1
252 1 18 PRO HA 1 19 GLU H . . 2.980 2.181 2.152 2.263 . 0 0 "[ . 1 . 2]" 1
253 1 18 PRO HA 1 20 ASN H . . 4.080 3.819 3.424 4.061 . 0 0 "[ . 1 . 2]" 1
254 1 18 PRO HA 1 23 GLU HB2 . . 4.030 3.135 2.753 4.020 . 0 0 "[ . 1 . 2]" 1
255 1 18 PRO HA 1 23 GLU HB3 . . 4.030 2.836 2.031 4.027 . 0 0 "[ . 1 . 2]" 1
256 1 18 PRO QB 1 19 GLU H . . 4.110 3.277 2.877 3.605 . 0 0 "[ . 1 . 2]" 1
257 1 18 PRO QB 1 20 ASN H . . 4.320 3.756 3.327 4.239 . 0 0 "[ . 1 . 2]" 1
258 1 18 PRO QB 1 23 GLU QB . . 3.670 2.303 1.799 3.182 . 0 0 "[ . 1 . 2]" 1
259 1 18 PRO QB 1 25 GLY H . . 4.690 3.255 2.471 4.258 . 0 0 "[ . 1 . 2]" 1
260 1 18 PRO QD 1 25 GLY H . . 5.050 3.273 2.829 4.291 . 0 0 "[ . 1 . 2]" 1
261 1 18 PRO QD 1 25 GLY QA . . 3.500 2.020 1.930 2.541 . 0 0 "[ . 1 . 2]" 1
262 1 18 PRO QG 1 25 GLY H . . 4.020 3.165 2.875 3.373 . 0 0 "[ . 1 . 2]" 1
263 1 18 PRO QG 1 25 GLY QA . . 3.770 3.200 2.186 3.571 . 0 0 "[ . 1 . 2]" 1
264 1 18 PRO HG2 1 25 GLY H . . 4.880 4.814 4.425 4.892 0.012 16 0 "[ . 1 . 2]" 1
265 1 18 PRO HG3 1 25 GLY H . . 4.880 3.211 2.913 3.439 . 0 0 "[ . 1 . 2]" 1
266 1 19 GLU H 1 19 GLU QB . . 3.540 2.502 2.281 2.941 . 0 0 "[ . 1 . 2]" 1
267 1 19 GLU H 1 19 GLU HG2 . . 4.950 3.456 2.102 4.834 . 0 0 "[ . 1 . 2]" 1
268 1 19 GLU H 1 19 GLU QG . . 4.270 3.098 2.079 4.196 . 0 0 "[ . 1 . 2]" 1
269 1 19 GLU H 1 19 GLU HG3 . . 4.950 3.855 2.354 4.658 . 0 0 "[ . 1 . 2]" 1
270 1 19 GLU H 1 20 ASN H . . 2.950 2.156 1.849 2.509 . 0 0 "[ . 1 . 2]" 1
271 1 19 GLU H 1 23 GLU HB2 . . 5.500 3.483 2.444 4.353 . 0 0 "[ . 1 . 2]" 1
272 1 19 GLU H 1 23 GLU QB . . 4.840 3.186 2.226 3.940 . 0 0 "[ . 1 . 2]" 1
273 1 19 GLU H 1 23 GLU HB3 . . 5.500 3.723 2.563 4.928 . 0 0 "[ . 1 . 2]" 1
274 1 19 GLU HA 1 19 GLU QG . . 3.650 2.791 2.256 3.458 . 0 0 "[ . 1 . 2]" 1
275 1 19 GLU QB 1 20 ASN H . . 3.870 2.877 2.557 3.632 . 0 0 "[ . 1 . 2]" 1
276 1 19 GLU QG 1 20 ASN H . . 4.370 3.579 2.091 4.326 . 0 0 "[ . 1 . 2]" 1
277 1 20 ASN H 1 20 ASN HB2 . . 4.060 3.121 2.275 3.920 . 0 0 "[ . 1 . 2]" 1
278 1 20 ASN H 1 20 ASN QB . . 3.330 2.793 2.249 3.228 . 0 0 "[ . 1 . 2]" 1
279 1 20 ASN H 1 20 ASN HB3 . . 4.060 3.537 2.991 3.887 . 0 0 "[ . 1 . 2]" 1
280 1 20 ASN H 1 20 ASN HD21 . . 4.680 3.456 2.382 4.407 . 0 0 "[ . 1 . 2]" 1
281 1 20 ASN H 1 20 ASN QD . . 3.950 3.240 2.297 3.858 . 0 0 "[ . 1 . 2]" 1
282 1 20 ASN H 1 20 ASN HD22 . . 4.680 4.100 3.014 4.684 0.004 14 0 "[ . 1 . 2]" 1
283 1 20 ASN H 1 23 GLU QB . . 4.700 3.101 2.292 3.845 . 0 0 "[ . 1 . 2]" 1
284 1 20 ASN H 1 23 GLU QG . . 5.340 2.833 1.874 4.232 . 0 0 "[ . 1 . 2]" 1
285 1 20 ASN HA 1 21 GLU H . . 3.360 2.423 2.242 2.616 . 0 0 "[ . 1 . 2]" 1
286 1 20 ASN QB 1 20 ASN QD . . 3.050 2.158 2.063 2.439 . 0 0 "[ . 1 . 2]" 1
287 1 20 ASN QB 1 21 GLU H . . 3.800 2.401 1.988 2.937 . 0 0 "[ . 1 . 2]" 1
288 1 20 ASN HB2 1 21 GLU H . . 4.590 3.086 2.004 3.929 . 0 0 "[ . 1 . 2]" 1
289 1 20 ASN HB3 1 21 GLU H . . 4.590 2.987 2.032 4.202 . 0 0 "[ . 1 . 2]" 1
290 1 21 GLU H 1 21 GLU QB . . 3.450 2.414 2.174 2.605 . 0 0 "[ . 1 . 2]" 1
291 1 21 GLU H 1 21 GLU QG . . 4.350 2.694 1.938 4.060 . 0 0 "[ . 1 . 2]" 1
292 1 21 GLU HA 1 23 GLU H . . 4.110 3.787 3.525 4.057 . 0 0 "[ . 1 . 2]" 1
293 1 21 GLU QB 1 22 GLY H . . 4.190 2.787 2.145 3.574 . 0 0 "[ . 1 . 2]" 1
294 1 21 GLU QB 1 23 GLU H . . 4.850 4.719 4.479 4.856 0.006 14 0 "[ . 1 . 2]" 1
295 1 21 GLU QG 1 22 GLY H . . 4.590 3.532 1.900 4.433 . 0 0 "[ . 1 . 2]" 1
296 1 22 GLY H 1 23 GLU H . . 3.630 3.167 2.507 3.546 . 0 0 "[ . 1 . 2]" 1
297 1 23 GLU H 1 23 GLU QB . . 3.230 2.583 2.282 3.010 . 0 0 "[ . 1 . 2]" 1
298 1 23 GLU H 1 23 GLU HG2 . . 4.570 3.300 1.920 4.448 . 0 0 "[ . 1 . 2]" 1
299 1 23 GLU H 1 23 GLU QG . . 3.710 2.781 1.905 3.621 . 0 0 "[ . 1 . 2]" 1
300 1 23 GLU H 1 23 GLU HG3 . . 4.570 3.469 1.995 4.502 . 0 0 "[ . 1 . 2]" 1
301 1 23 GLU QB 1 24 LEU H . . 3.840 2.895 2.258 3.352 . 0 0 "[ . 1 . 2]" 1
302 1 23 GLU QG 1 24 LEU H . . 4.800 4.156 3.651 4.622 . 0 0 "[ . 1 . 2]" 1
303 1 24 LEU H 1 24 LEU HB2 . . 3.720 2.998 2.520 3.266 . 0 0 "[ . 1 . 2]" 1
304 1 24 LEU H 1 24 LEU QB . . 3.190 2.397 2.294 2.557 . 0 0 "[ . 1 . 2]" 1
305 1 24 LEU H 1 24 LEU HB3 . . 3.720 2.532 2.388 2.730 . 0 0 "[ . 1 . 2]" 1
306 1 24 LEU H 1 52 GLY QA . . 4.450 3.789 2.915 4.237 . 0 0 "[ . 1 . 2]" 1
307 1 24 LEU H 1 53 PHE H . . 4.180 3.714 2.719 4.113 . 0 0 "[ . 1 . 2]" 1
308 1 24 LEU H 1 54 PHE HB3 . . 4.500 3.864 3.441 4.342 . 0 0 "[ . 1 . 2]" 1
309 1 24 LEU HA 1 24 LEU QD . . 3.180 2.335 2.142 2.585 . 0 0 "[ . 1 . 2]" 1
310 1 24 LEU HA 1 25 GLY H . . 2.970 2.183 2.144 2.279 . 0 0 "[ . 1 . 2]" 1
311 1 24 LEU HA 1 52 GLY QA . . 4.740 3.862 3.166 4.319 . 0 0 "[ . 1 . 2]" 1
312 1 24 LEU QB 1 52 GLY H . . 3.960 3.109 2.145 3.458 . 0 0 "[ . 1 . 2]" 1
313 1 24 LEU QB 1 52 GLY QA . . 3.420 2.157 1.969 2.369 . 0 0 "[ . 1 . 2]" 1
314 1 24 LEU QB 1 53 PHE H . . 4.520 3.493 3.070 3.995 . 0 0 "[ . 1 . 2]" 1
315 1 24 LEU QB 1 54 PHE HB3 . . 4.390 2.707 1.993 3.192 . 0 0 "[ . 1 . 2]" 1
316 1 24 LEU QB 1 54 PHE QD . . 3.510 2.910 2.413 3.393 . 0 0 "[ . 1 . 2]" 1
317 1 24 LEU HB2 1 52 GLY H . . 4.720 3.200 2.164 3.578 . 0 0 "[ . 1 . 2]" 1
318 1 24 LEU HB2 1 54 PHE QD . . 4.330 4.114 3.299 4.329 . 0 0 "[ . 1 . 2]" 1
319 1 24 LEU HB3 1 52 GLY H . . 4.720 4.261 3.511 4.713 . 0 0 "[ . 1 . 2]" 1
320 1 24 LEU HB3 1 54 PHE QD . . 4.330 2.980 2.481 3.585 . 0 0 "[ . 1 . 2]" 1
321 1 24 LEU QD 1 25 GLY H . . 3.630 3.339 2.651 3.632 0.002 4 0 "[ . 1 . 2]" 1
322 1 24 LEU QD 1 26 PHE QD . . 4.170 4.102 3.874 4.177 0.007 13 0 "[ . 1 . 2]" 1
323 1 24 LEU QD 1 32 ILE MD . . 4.570 3.819 2.686 4.477 . 0 0 "[ . 1 . 2]" 1
324 1 24 LEU QD 1 32 ILE MG . . 3.370 2.242 1.983 2.465 . 0 0 "[ . 1 . 2]" 1
325 1 24 LEU QD 1 45 GLY H . . 4.640 3.563 2.858 3.870 . 0 0 "[ . 1 . 2]" 1
326 1 24 LEU QD 1 47 LEU H . . 3.620 2.809 2.470 3.172 . 0 0 "[ . 1 . 2]" 1
327 1 24 LEU QD 1 47 LEU QB . . 3.500 1.844 1.667 2.238 . 0 0 "[ . 1 . 2]" 1
328 1 24 LEU QD 1 47 LEU HG . . 4.870 3.596 3.208 3.972 . 0 0 "[ . 1 . 2]" 1
329 1 24 LEU QD 1 50 HIS QB . . 3.490 2.365 1.786 3.384 . 0 0 "[ . 1 . 2]" 1
330 1 24 LEU QD 1 50 HIS HD2 . . 4.670 3.886 1.918 4.662 . 0 0 "[ . 1 . 2]" 1
331 1 24 LEU QD 1 51 SER H . . 4.630 4.195 3.653 4.503 . 0 0 "[ . 1 . 2]" 1
332 1 24 LEU QD 1 51 SER HA . . 3.720 3.411 2.748 3.697 . 0 0 "[ . 1 . 2]" 1
333 1 24 LEU QD 1 52 GLY QA . . 4.410 3.001 2.405 3.330 . 0 0 "[ . 1 . 2]" 1
334 1 24 LEU QD 1 54 PHE QD . . 3.880 2.400 1.860 2.897 . 0 0 "[ . 1 . 2]" 1
335 1 24 LEU QD 1 54 PHE QE . . 4.210 3.168 2.429 3.969 . 0 0 "[ . 1 . 2]" 1
336 1 24 LEU MD1 1 46 MET HA . . 4.400 4.119 3.168 4.399 . 0 0 "[ . 1 . 2]" 1
337 1 24 LEU MD1 1 47 LEU H . . 4.310 3.014 2.608 3.372 . 0 0 "[ . 1 . 2]" 1
338 1 24 LEU MD1 1 51 SER HA . . 4.710 3.717 2.834 4.138 . 0 0 "[ . 1 . 2]" 1
339 1 24 LEU MD1 1 52 GLY H . . 4.130 3.051 2.310 3.485 . 0 0 "[ . 1 . 2]" 1
340 1 24 LEU MD2 1 46 MET HA . . 4.400 3.941 3.535 4.369 . 0 0 "[ . 1 . 2]" 1
341 1 24 LEU MD2 1 47 LEU H . . 4.310 3.403 2.921 3.917 . 0 0 "[ . 1 . 2]" 1
342 1 24 LEU MD2 1 51 SER HA . . 4.710 4.008 3.615 4.540 . 0 0 "[ . 1 . 2]" 1
343 1 24 LEU MD2 1 52 GLY H . . 4.130 2.841 2.213 3.381 . 0 0 "[ . 1 . 2]" 1
344 1 24 LEU HG 1 25 GLY H . . 4.160 3.486 2.863 3.988 . 0 0 "[ . 1 . 2]" 1
345 1 24 LEU HG 1 26 PHE QD . . 4.790 4.720 4.160 4.795 0.005 16 0 "[ . 1 . 2]" 1
346 1 24 LEU HG 1 54 PHE QD . . 5.320 4.570 3.934 5.209 . 0 0 "[ . 1 . 2]" 1
347 1 25 GLY QA 1 26 PHE H . . 2.940 2.134 2.111 2.203 . 0 0 "[ . 1 . 2]" 1
348 1 25 GLY HA2 1 26 PHE H . . 3.500 2.175 2.140 2.285 . 0 0 "[ . 1 . 2]" 1
349 1 25 GLY HA3 1 26 PHE H . . 3.500 3.106 2.889 3.225 . 0 0 "[ . 1 . 2]" 1
350 1 26 PHE H 1 26 PHE QD . . 4.340 3.060 2.936 3.179 . 0 0 "[ . 1 . 2]" 1
351 1 26 PHE QB 1 27 LYS H . . 3.030 2.155 1.934 2.397 . 0 0 "[ . 1 . 2]" 1
352 1 26 PHE QB 1 30 ASP HB2 . . 3.870 3.448 2.770 3.871 0.001 14 0 "[ . 1 . 2]" 1
353 1 26 PHE QB 1 30 ASP HB3 . . 4.350 4.134 3.601 4.351 0.001 16 0 "[ . 1 . 2]" 1
354 1 26 PHE QB 1 47 LEU MD2 . . 3.210 2.838 2.239 3.070 . 0 0 "[ . 1 . 2]" 1
355 1 26 PHE HB2 1 27 LYS H . . 3.690 2.174 1.944 2.429 . 0 0 "[ . 1 . 2]" 1
356 1 26 PHE HB2 1 32 ILE MD . . 4.150 2.322 1.985 2.686 . 0 0 "[ . 1 . 2]" 1
357 1 26 PHE HB2 1 47 LEU MD2 . . 3.820 3.533 2.980 3.787 . 0 0 "[ . 1 . 2]" 1
358 1 26 PHE HB3 1 27 LYS H . . 3.690 3.560 3.436 3.684 . 0 0 "[ . 1 . 2]" 1
359 1 26 PHE HB3 1 32 ILE MD . . 4.150 2.402 1.916 2.941 . 0 0 "[ . 1 . 2]" 1
360 1 26 PHE HB3 1 47 LEU MD2 . . 3.820 2.994 2.314 3.252 . 0 0 "[ . 1 . 2]" 1
361 1 26 PHE QD 1 27 LYS H . . 4.310 3.170 2.849 3.452 . 0 0 "[ . 1 . 2]" 1
362 1 26 PHE QD 1 32 ILE MD . . 3.780 3.074 2.551 3.655 . 0 0 "[ . 1 . 2]" 1
363 1 26 PHE QD 1 47 LEU MD2 . . 4.630 4.365 3.621 4.630 . 0 0 "[ . 1 . 2]" 1
364 1 26 PHE QD 1 54 PHE HB2 . . 4.370 2.544 2.367 2.712 . 0 0 "[ . 1 . 2]" 1
365 1 26 PHE QD 1 54 PHE QD . . 4.360 3.454 2.792 3.729 . 0 0 "[ . 1 . 2]" 1
366 1 26 PHE QD 1 59 VAL MG1 . . 3.720 3.219 2.712 3.438 . 0 0 "[ . 1 . 2]" 1
367 1 26 PHE QE 1 32 ILE MD . . 5.030 4.487 3.843 4.966 . 0 0 "[ . 1 . 2]" 1
368 1 26 PHE QE 1 54 PHE HB2 . . 3.910 2.569 2.067 2.903 . 0 0 "[ . 1 . 2]" 1
369 1 26 PHE QE 1 55 PRO HB2 . . 4.430 4.416 4.362 4.431 0.001 4 0 "[ . 1 . 2]" 1
370 1 26 PHE QE 1 55 PRO HD3 . . 4.320 3.684 3.576 3.894 . 0 0 "[ . 1 . 2]" 1
371 1 26 PHE QE 1 55 PRO HG2 . . 4.330 2.252 2.145 2.526 . 0 0 "[ . 1 . 2]" 1
372 1 26 PHE QE 1 58 TYR H . . 4.880 4.826 4.687 4.881 0.001 3 0 "[ . 1 . 2]" 1
373 1 26 PHE QE 1 58 TYR HB2 . . 4.070 3.023 2.816 3.363 . 0 0 "[ . 1 . 2]" 1
374 1 26 PHE QE 1 58 TYR QB . . 3.470 2.629 2.547 2.812 . 0 0 "[ . 1 . 2]" 1
375 1 26 PHE QE 1 58 TYR HB3 . . 4.070 2.901 2.804 3.094 . 0 0 "[ . 1 . 2]" 1
376 1 26 PHE QE 1 59 VAL MG1 . . 4.220 3.121 2.362 3.497 . 0 0 "[ . 1 . 2]" 1
377 1 26 PHE HZ 1 55 PRO HD2 . . 4.720 4.060 3.488 4.348 . 0 0 "[ . 1 . 2]" 1
378 1 26 PHE HZ 1 55 PRO HG2 . . 4.400 2.866 2.178 3.131 . 0 0 "[ . 1 . 2]" 1
379 1 26 PHE HZ 1 55 PRO HG3 . . 5.320 3.870 3.392 4.048 . 0 0 "[ . 1 . 2]" 1
380 1 26 PHE HZ 1 58 TYR QB . . 4.560 1.927 1.782 2.011 . 0 0 "[ . 1 . 2]" 1
381 1 27 LYS H 1 27 LYS QB . . 3.440 2.573 2.346 2.745 . 0 0 "[ . 1 . 2]" 1
382 1 27 LYS H 1 27 LYS QG . . 4.200 3.702 2.884 4.211 0.011 11 0 "[ . 1 . 2]" 1
383 1 27 LYS H 1 30 ASP H . . 4.790 4.138 3.815 4.671 . 0 0 "[ . 1 . 2]" 1
384 1 27 LYS H 1 30 ASP HB2 . . 3.990 2.347 2.121 2.661 . 0 0 "[ . 1 . 2]" 1
385 1 27 LYS H 1 30 ASP HB3 . . 4.630 3.428 3.111 3.719 . 0 0 "[ . 1 . 2]" 1
386 1 27 LYS H 1 47 LEU MD2 . . 4.470 3.694 3.353 4.106 . 0 0 "[ . 1 . 2]" 1
387 1 27 LYS HA 1 27 LYS HD2 . . 4.530 3.625 1.999 4.531 0.001 5 0 "[ . 1 . 2]" 1
388 1 27 LYS HA 1 27 LYS QD . . 3.870 3.164 1.984 3.792 . 0 0 "[ . 1 . 2]" 1
389 1 27 LYS HA 1 27 LYS HD3 . . 4.530 3.807 3.172 4.531 0.001 3 0 "[ . 1 . 2]" 1
390 1 27 LYS HA 1 28 GLU H . . 3.090 2.278 2.147 2.592 . 0 0 "[ . 1 . 2]" 1
391 1 27 LYS QB 1 28 GLU H . . 3.430 3.015 2.268 3.431 0.001 17 0 "[ . 1 . 2]" 1
392 1 27 LYS QG 1 28 GLU H . . 4.670 3.396 1.852 4.489 . 0 0 "[ . 1 . 2]" 1
393 1 28 GLU H 1 28 GLU HB2 . . 3.590 2.482 2.262 2.634 . 0 0 "[ . 1 . 2]" 1
394 1 28 GLU H 1 28 GLU HB3 . . 3.690 2.605 2.417 2.818 . 0 0 "[ . 1 . 2]" 1
395 1 28 GLU H 1 28 GLU HG2 . . 4.710 4.457 4.325 4.579 . 0 0 "[ . 1 . 2]" 1
396 1 28 GLU H 1 28 GLU HG3 . . 4.710 4.450 4.231 4.618 . 0 0 "[ . 1 . 2]" 1
397 1 28 GLU HA 1 28 GLU HG2 . . 4.110 2.989 2.354 3.545 . 0 0 "[ . 1 . 2]" 1
398 1 28 GLU HA 1 28 GLU QG . . 3.540 2.451 2.255 2.624 . 0 0 "[ . 1 . 2]" 1
399 1 28 GLU HA 1 28 GLU HG3 . . 4.110 2.767 2.312 3.706 . 0 0 "[ . 1 . 2]" 1
400 1 28 GLU HA 1 29 GLY H . . 2.950 2.159 2.142 2.190 . 0 0 "[ . 1 . 2]" 1
401 1 28 GLU HA 1 30 ASP H . . 4.260 3.765 3.463 4.024 . 0 0 "[ . 1 . 2]" 1
402 1 28 GLU HB2 1 29 GLY H . . 4.590 4.267 4.108 4.446 . 0 0 "[ . 1 . 2]" 1
403 1 28 GLU QG 1 29 GLY H . . 3.700 2.831 2.438 3.208 . 0 0 "[ . 1 . 2]" 1
404 1 28 GLU QG 1 29 GLY QA . . 5.130 3.360 3.050 3.830 . 0 0 "[ . 1 . 2]" 1
405 1 28 GLU HG2 1 29 GLY H . . 4.450 3.138 2.516 3.830 . 0 0 "[ . 1 . 2]" 1
406 1 28 GLU HG3 1 29 GLY H . . 4.450 3.489 2.730 4.412 . 0 0 "[ . 1 . 2]" 1
407 1 29 GLY H 1 30 ASP H . . 3.860 2.898 2.414 3.220 . 0 0 "[ . 1 . 2]" 1
408 1 30 ASP H 1 30 ASP HB2 . . 3.370 2.356 2.210 2.664 . 0 0 "[ . 1 . 2]" 1
409 1 30 ASP HA 1 31 ILE H . . 2.890 2.172 2.139 2.297 . 0 0 "[ . 1 . 2]" 1
410 1 30 ASP HA 1 31 ILE HB . . 4.920 4.672 4.427 4.865 . 0 0 "[ . 1 . 2]" 1
411 1 30 ASP HB2 1 31 ILE H . . 4.640 4.280 3.971 4.450 . 0 0 "[ . 1 . 2]" 1
412 1 30 ASP HB2 1 32 ILE MD . . 4.300 3.740 2.926 4.289 . 0 0 "[ . 1 . 2]" 1
413 1 30 ASP HB2 1 47 LEU MD1 . . 4.600 4.396 3.925 4.595 . 0 0 "[ . 1 . 2]" 1
414 1 30 ASP HB2 1 47 LEU MD2 . . 4.330 4.202 3.857 4.331 0.001 13 0 "[ . 1 . 2]" 1
415 1 30 ASP HB3 1 31 ILE H . . 3.840 3.264 2.721 3.552 . 0 0 "[ . 1 . 2]" 1
416 1 30 ASP HB3 1 32 ILE MD . . 4.580 3.782 2.736 4.580 0.000 11 0 "[ . 1 . 2]" 1
417 1 30 ASP HB3 1 47 LEU MD1 . . 3.640 3.129 2.778 3.403 . 0 0 "[ . 1 . 2]" 1
418 1 30 ASP HB3 1 47 LEU MD2 . . 3.980 3.548 3.096 3.841 . 0 0 "[ . 1 . 2]" 1
419 1 31 ILE H 1 31 ILE HB . . 3.280 2.551 2.320 2.717 . 0 0 "[ . 1 . 2]" 1
420 1 31 ILE H 1 31 ILE MD . . 4.690 3.264 1.835 3.816 . 0 0 "[ . 1 . 2]" 1
421 1 31 ILE H 1 31 ILE HG12 . . 4.220 2.567 1.950 4.116 . 0 0 "[ . 1 . 2]" 1
422 1 31 ILE H 1 31 ILE QG . . 3.540 2.455 1.938 3.490 . 0 0 "[ . 1 . 2]" 1
423 1 31 ILE H 1 31 ILE HG13 . . 4.220 3.687 3.385 3.823 . 0 0 "[ . 1 . 2]" 1
424 1 31 ILE H 1 47 LEU MD1 . . 4.640 4.391 3.928 4.641 0.001 9 0 "[ . 1 . 2]" 1
425 1 31 ILE QG 1 31 ILE MG . . 3.080 2.306 2.004 2.471 . 0 0 "[ . 1 . 2]" 1
426 1 31 ILE MG 1 32 ILE H . . 3.720 2.616 2.083 2.942 . 0 0 "[ . 1 . 2]" 1
427 1 31 ILE MG 1 32 ILE HA . . 4.900 3.860 3.481 4.261 . 0 0 "[ . 1 . 2]" 1
428 1 32 ILE H 1 32 ILE HB . . 3.340 2.585 2.483 2.668 . 0 0 "[ . 1 . 2]" 1
429 1 32 ILE H 1 32 ILE MD . . 4.140 2.562 1.883 3.612 . 0 0 "[ . 1 . 2]" 1
430 1 32 ILE H 1 32 ILE HG12 . . 4.520 4.079 3.798 4.348 . 0 0 "[ . 1 . 2]" 1
431 1 32 ILE H 1 32 ILE QG . . 3.660 2.962 2.300 3.401 . 0 0 "[ . 1 . 2]" 1
432 1 32 ILE H 1 32 ILE HG13 . . 4.520 3.058 2.320 3.552 . 0 0 "[ . 1 . 2]" 1
433 1 32 ILE H 1 32 ILE MG . . 4.530 3.822 3.776 3.861 . 0 0 "[ . 1 . 2]" 1
434 1 32 ILE H 1 47 LEU MD1 . . 5.260 4.549 4.200 5.007 . 0 0 "[ . 1 . 2]" 1
435 1 32 ILE H 1 59 VAL MG2 . . 5.500 5.370 5.060 5.502 0.002 11 0 "[ . 1 . 2]" 1
436 1 32 ILE HA 1 32 ILE MD . . 4.590 3.547 3.276 3.935 . 0 0 "[ . 1 . 2]" 1
437 1 32 ILE HA 1 32 ILE HG12 . . 4.040 3.298 2.802 3.579 . 0 0 "[ . 1 . 2]" 1
438 1 32 ILE HA 1 32 ILE QG . . 3.500 2.393 2.253 2.547 . 0 0 "[ . 1 . 2]" 1
439 1 32 ILE HA 1 32 ILE HG13 . . 4.040 2.509 2.280 2.830 . 0 0 "[ . 1 . 2]" 1
440 1 32 ILE HA 1 32 ILE MG . . 3.510 2.338 2.220 2.455 . 0 0 "[ . 1 . 2]" 1
441 1 32 ILE HA 1 33 THR H . . 3.010 2.144 2.139 2.183 . 0 0 "[ . 1 . 2]" 1
442 1 32 ILE HA 1 47 LEU QB . . 4.580 3.616 3.223 3.933 . 0 0 "[ . 1 . 2]" 1
443 1 32 ILE HA 1 47 LEU MD1 . . 3.750 2.637 2.180 3.113 . 0 0 "[ . 1 . 2]" 1
444 1 32 ILE HB 1 32 ILE MD . . 3.180 2.166 2.105 2.279 . 0 0 "[ . 1 . 2]" 1
445 1 32 ILE HB 1 59 VAL MG2 . . 4.450 4.294 4.076 4.441 . 0 0 "[ . 1 . 2]" 1
446 1 32 ILE MD 1 32 ILE MG . . 3.340 2.900 2.312 3.180 . 0 0 "[ . 1 . 2]" 1
447 1 32 ILE MD 1 47 LEU MD1 . . 4.550 3.670 3.205 4.253 . 0 0 "[ . 1 . 2]" 1
448 1 32 ILE MD 1 47 LEU MD2 . . 4.490 3.191 2.252 3.941 . 0 0 "[ . 1 . 2]" 1
449 1 32 ILE MD 1 54 PHE QE . . 4.480 3.527 2.674 4.031 . 0 0 "[ . 1 . 2]" 1
450 1 32 ILE MD 1 59 VAL MG1 . . 3.430 2.341 2.037 2.607 . 0 0 "[ . 1 . 2]" 1
451 1 32 ILE MD 1 59 VAL MG2 . . 4.140 3.663 3.166 4.042 . 0 0 "[ . 1 . 2]" 1
452 1 32 ILE QG 1 47 LEU QB . . 4.160 3.159 2.352 3.860 . 0 0 "[ . 1 . 2]" 1
453 1 32 ILE QG 1 47 LEU MD1 . . 4.260 2.411 1.962 2.854 . 0 0 "[ . 1 . 2]" 1
454 1 32 ILE QG 1 47 LEU MD2 . . 3.970 2.288 1.895 2.886 . 0 0 "[ . 1 . 2]" 1
455 1 32 ILE MG 1 33 THR H . . 3.510 2.717 2.150 2.980 . 0 0 "[ . 1 . 2]" 1
456 1 32 ILE MG 1 45 GLY HA2 . . 4.900 4.332 3.835 4.623 . 0 0 "[ . 1 . 2]" 1
457 1 32 ILE MG 1 45 GLY HA3 . . 3.750 2.888 2.447 3.191 . 0 0 "[ . 1 . 2]" 1
458 1 32 ILE MG 1 46 MET H . . 4.080 3.650 2.930 4.081 0.001 16 0 "[ . 1 . 2]" 1
459 1 32 ILE MG 1 47 LEU QB . . 3.530 2.585 1.937 3.082 . 0 0 "[ . 1 . 2]" 1
460 1 32 ILE MG 1 54 PHE QD . . 4.770 3.347 3.015 3.664 . 0 0 "[ . 1 . 2]" 1
461 1 32 ILE MG 1 54 PHE QE . . 3.660 2.540 2.232 2.819 . 0 0 "[ . 1 . 2]" 1
462 1 32 ILE MG 1 54 PHE HZ . . 3.910 2.377 1.961 3.002 . 0 0 "[ . 1 . 2]" 1
463 1 32 ILE MG 1 59 VAL MG2 . . 4.990 4.710 4.493 4.995 0.005 7 0 "[ . 1 . 2]" 1
464 1 33 THR H 1 33 THR HB . . 3.210 2.670 2.505 2.835 . 0 0 "[ . 1 . 2]" 1
465 1 33 THR H 1 33 THR MG . . 4.190 3.757 3.722 3.780 . 0 0 "[ . 1 . 2]" 1
466 1 33 THR H 1 46 MET H . . 4.150 3.843 3.557 4.131 . 0 0 "[ . 1 . 2]" 1
467 1 33 THR H 1 47 LEU MD1 . . 5.450 3.682 3.049 4.427 . 0 0 "[ . 1 . 2]" 1
468 1 33 THR HA 1 33 THR MG . . 3.470 2.300 2.174 2.426 . 0 0 "[ . 1 . 2]" 1
469 1 33 THR HA 1 34 LEU H . . 3.030 2.346 2.265 2.450 . 0 0 "[ . 1 . 2]" 1
470 1 33 THR HB 1 34 LEU H . . 4.470 3.617 3.311 3.805 . 0 0 "[ . 1 . 2]" 1
471 1 33 THR HB 1 46 MET H . . 3.930 2.247 1.920 2.729 . 0 0 "[ . 1 . 2]" 1
472 1 33 THR HB 1 46 MET HB2 . . 3.900 3.291 3.154 3.450 . 0 0 "[ . 1 . 2]" 1
473 1 33 THR HB 1 46 MET HB3 . . 4.560 4.559 4.540 4.568 0.008 13 0 "[ . 1 . 2]" 1
474 1 33 THR MG 1 34 LEU H . . 3.560 1.895 1.787 2.081 . 0 0 "[ . 1 . 2]" 1
475 1 33 THR MG 1 46 MET H . . 4.670 3.498 3.064 3.959 . 0 0 "[ . 1 . 2]" 1
476 1 33 THR MG 1 46 MET HB2 . . 4.540 3.857 3.612 4.091 . 0 0 "[ . 1 . 2]" 1
477 1 33 THR MG 1 46 MET ME . . 4.110 3.717 3.461 4.087 . 0 0 "[ . 1 . 2]" 1
478 1 34 LEU H 1 34 LEU HB2 . . 3.520 2.568 2.476 2.704 . 0 0 "[ . 1 . 2]" 1
479 1 34 LEU H 1 34 LEU MD1 . . 4.690 3.918 3.744 4.111 . 0 0 "[ . 1 . 2]" 1
480 1 34 LEU H 1 34 LEU MD2 . . 5.060 4.097 3.906 4.352 . 0 0 "[ . 1 . 2]" 1
481 1 34 LEU H 1 34 LEU HG . . 3.940 3.140 2.920 3.559 . 0 0 "[ . 1 . 2]" 1
482 1 34 LEU HA 1 34 LEU MD2 . . 3.400 2.214 1.978 2.505 . 0 0 "[ . 1 . 2]" 1
483 1 34 LEU HA 1 35 THR H . . 3.220 2.169 2.152 2.224 . 0 0 "[ . 1 . 2]" 1
484 1 34 LEU HA 1 36 ASN H . . 4.240 4.132 3.868 4.243 0.003 9 0 "[ . 1 . 2]" 1
485 1 34 LEU HA 1 45 GLY HA3 . . 4.740 3.179 2.811 3.416 . 0 0 "[ . 1 . 2]" 1
486 1 34 LEU HB2 1 34 LEU MD1 . . 3.660 2.195 2.049 2.284 . 0 0 "[ . 1 . 2]" 1
487 1 34 LEU HB3 1 35 THR H . . 4.460 3.165 2.904 3.262 . 0 0 "[ . 1 . 2]" 1
488 1 34 LEU HB3 1 65 LEU MD1 . . 4.100 3.051 2.541 3.500 . 0 0 "[ . 1 . 2]" 1
489 1 34 LEU HB3 1 65 LEU MD2 . . 3.760 2.145 1.925 2.546 . 0 0 "[ . 1 . 2]" 1
490 1 34 LEU MD1 1 65 LEU H . . 4.400 4.085 3.730 4.392 . 0 0 "[ . 1 . 2]" 1
491 1 34 LEU MD2 1 35 THR H . . 4.230 3.369 2.976 3.738 . 0 0 "[ . 1 . 2]" 1
492 1 34 LEU MD2 1 36 ASN H . . 4.660 4.463 4.064 4.663 0.003 14 0 "[ . 1 . 2]" 1
493 1 34 LEU MD2 1 43 TYR HB2 . . 4.270 3.207 2.796 3.627 . 0 0 "[ . 1 . 2]" 1
494 1 34 LEU MD2 1 43 TYR QB . . 3.640 2.292 1.942 2.609 . 0 0 "[ . 1 . 2]" 1
495 1 34 LEU MD2 1 43 TYR HB3 . . 4.270 2.349 1.981 2.675 . 0 0 "[ . 1 . 2]" 1
496 1 34 LEU MD2 1 43 TYR QD . . 3.840 2.927 2.604 3.086 . 0 0 "[ . 1 . 2]" 1
497 1 34 LEU MD2 1 43 TYR QE . . 4.610 3.723 3.167 4.180 . 0 0 "[ . 1 . 2]" 1
498 1 34 LEU MD2 1 44 GLU H . . 4.640 3.445 3.110 3.671 . 0 0 "[ . 1 . 2]" 1
499 1 34 LEU MD2 1 45 GLY HA3 . . 5.330 4.040 3.641 4.464 . 0 0 "[ . 1 . 2]" 1
500 1 34 LEU MD2 1 54 PHE QE . . 3.670 2.986 2.688 3.424 . 0 0 "[ . 1 . 2]" 1
501 1 34 LEU MD2 1 54 PHE HZ . . 3.340 2.196 1.896 2.591 . 0 0 "[ . 1 . 2]" 1
502 1 34 LEU HG 1 65 LEU MD1 . . 5.500 5.053 4.626 5.321 . 0 0 "[ . 1 . 2]" 1
503 1 35 THR H 1 35 THR MG . . 3.940 2.761 1.861 3.371 . 0 0 "[ . 1 . 2]" 1
504 1 35 THR H 1 36 ASN H . . 3.020 2.101 1.903 2.223 . 0 0 "[ . 1 . 2]" 1
505 1 35 THR H 1 45 GLY HA2 . . 3.580 3.144 2.842 3.314 . 0 0 "[ . 1 . 2]" 1
506 1 35 THR H 1 45 GLY HA3 . . 4.120 3.917 3.578 4.130 0.010 13 0 "[ . 1 . 2]" 1
507 1 35 THR HA 1 35 THR MG . . 3.310 2.476 2.197 3.188 . 0 0 "[ . 1 . 2]" 1
508 1 35 THR HA 1 65 LEU MD2 . . 4.160 3.777 3.389 4.069 . 0 0 "[ . 1 . 2]" 1
509 1 35 THR HB 1 36 ASN H . . 4.120 3.547 3.303 4.083 . 0 0 "[ . 1 . 2]" 1
510 1 35 THR MG 1 36 ASN H . . 4.650 3.502 1.877 4.090 . 0 0 "[ . 1 . 2]" 1
511 1 35 THR MG 1 45 GLY HA2 . . 3.840 2.329 1.958 3.146 . 0 0 "[ . 1 . 2]" 1
512 1 35 THR MG 1 45 GLY HA3 . . 4.450 3.719 3.344 4.420 . 0 0 "[ . 1 . 2]" 1
513 1 35 THR MG 1 46 MET H . . 4.540 3.553 3.177 4.166 . 0 0 "[ . 1 . 2]" 1
514 1 35 THR MG 1 46 MET HB2 . . 4.440 3.957 3.688 4.440 0.000 11 0 "[ . 1 . 2]" 1
515 1 35 THR MG 1 46 MET ME . . 4.000 2.865 2.036 3.979 . 0 0 "[ . 1 . 2]" 1
516 1 35 THR MG 1 46 MET HG3 . . 4.020 3.571 3.266 4.019 . 0 0 "[ . 1 . 2]" 1
517 1 36 ASN H 1 36 ASN HB2 . . 4.150 2.948 2.774 3.187 . 0 0 "[ . 1 . 2]" 1
518 1 36 ASN H 1 36 ASN HB3 . . 4.150 3.597 3.146 3.873 . 0 0 "[ . 1 . 2]" 1
519 1 36 ASN H 1 44 GLU H . . 3.810 3.344 3.188 3.632 . 0 0 "[ . 1 . 2]" 1
520 1 36 ASN H 1 44 GLU HB2 . . 4.360 3.839 3.457 4.256 . 0 0 "[ . 1 . 2]" 1
521 1 36 ASN H 1 44 GLU QB . . 3.600 2.276 1.935 2.498 . 0 0 "[ . 1 . 2]" 1
522 1 36 ASN H 1 44 GLU HB3 . . 4.360 2.293 1.945 2.516 . 0 0 "[ . 1 . 2]" 1
523 1 36 ASN H 1 45 GLY HA2 . . 4.470 4.269 4.141 4.435 . 0 0 "[ . 1 . 2]" 1
524 1 36 ASN H 1 65 LEU MD1 . . 4.750 4.515 4.081 4.711 . 0 0 "[ . 1 . 2]" 1
525 1 36 ASN H 1 65 LEU MD2 . . 4.400 4.270 4.000 4.397 . 0 0 "[ . 1 . 2]" 1
526 1 36 ASN QB 1 37 GLN H . . 3.730 2.485 2.173 2.930 . 0 0 "[ . 1 . 2]" 1
527 1 36 ASN QB 1 38 ILE MD . . 4.460 3.367 3.159 3.578 . 0 0 "[ . 1 . 2]" 1
528 1 36 ASN QB 1 44 GLU QB . . 3.340 2.760 2.530 3.016 . 0 0 "[ . 1 . 2]" 1
529 1 36 ASN HB2 1 37 GLN H . . 4.340 3.753 3.605 3.947 . 0 0 "[ . 1 . 2]" 1
530 1 36 ASN HB2 1 44 GLU HB2 . . 4.980 4.370 3.765 4.913 . 0 0 "[ . 1 . 2]" 1
531 1 36 ASN HB2 1 44 GLU HB3 . . 4.980 3.263 2.757 3.992 . 0 0 "[ . 1 . 2]" 1
532 1 36 ASN HB3 1 37 GLN H . . 4.340 2.534 2.190 3.039 . 0 0 "[ . 1 . 2]" 1
533 1 36 ASN HB3 1 44 GLU HB2 . . 4.980 4.088 3.244 4.963 . 0 0 "[ . 1 . 2]" 1
534 1 36 ASN HB3 1 44 GLU HB3 . . 4.980 3.528 2.731 4.021 . 0 0 "[ . 1 . 2]" 1
535 1 37 GLN H 1 37 GLN HB2 . . 3.910 3.217 3.069 3.398 . 0 0 "[ . 1 . 2]" 1
536 1 37 GLN H 1 37 GLN QB . . 3.330 2.497 2.393 2.548 . 0 0 "[ . 1 . 2]" 1
537 1 37 GLN H 1 37 GLN HB3 . . 3.910 2.605 2.491 2.707 . 0 0 "[ . 1 . 2]" 1
538 1 37 GLN H 1 37 GLN QG . . 4.590 4.023 3.862 4.158 . 0 0 "[ . 1 . 2]" 1
539 1 37 GLN H 1 65 LEU MD1 . . 4.400 4.229 3.650 4.400 0.000 19 0 "[ . 1 . 2]" 1
540 1 37 GLN HA 1 37 GLN QG . . 3.740 2.562 2.440 2.669 . 0 0 "[ . 1 . 2]" 1
541 1 37 GLN HA 1 38 ILE H . . 3.190 2.178 2.147 2.215 . 0 0 "[ . 1 . 2]" 1
542 1 37 GLN HA 1 43 TYR HA . . 4.390 2.516 2.342 2.704 . 0 0 "[ . 1 . 2]" 1
543 1 37 GLN HA 1 43 TYR QD . . 4.130 2.853 2.481 3.208 . 0 0 "[ . 1 . 2]" 1
544 1 37 GLN HA 1 44 GLU H . . 4.350 3.077 2.367 3.431 . 0 0 "[ . 1 . 2]" 1
545 1 37 GLN QB 1 37 GLN HE22 . . 4.630 4.035 3.951 4.108 . 0 0 "[ . 1 . 2]" 1
546 1 37 GLN QB 1 43 TYR QD . . 4.360 2.069 1.990 2.397 . 0 0 "[ . 1 . 2]" 1
547 1 37 GLN QB 1 43 TYR QE . . 3.630 2.519 2.035 2.951 . 0 0 "[ . 1 . 2]" 1
548 1 37 GLN QB 1 65 LEU MD1 . . 3.690 3.079 2.900 3.272 . 0 0 "[ . 1 . 2]" 1
549 1 37 GLN HB2 1 43 TYR QE . . 4.400 2.559 2.051 3.041 . 0 0 "[ . 1 . 2]" 1
550 1 37 GLN HB2 1 65 LEU MD1 . . 4.290 3.218 3.026 3.394 . 0 0 "[ . 1 . 2]" 1
551 1 37 GLN HB3 1 43 TYR QE . . 4.400 3.800 3.411 4.215 . 0 0 "[ . 1 . 2]" 1
552 1 37 GLN HB3 1 65 LEU MD1 . . 4.290 3.939 3.686 4.286 . 0 0 "[ . 1 . 2]" 1
553 1 37 GLN HE21 1 38 ILE H . . 5.410 4.981 4.437 5.365 . 0 0 "[ . 1 . 2]" 1
554 1 37 GLN HE21 1 40 GLU HA . . 3.650 2.788 2.110 3.145 . 0 0 "[ . 1 . 2]" 1
555 1 37 GLN HE21 1 56 ILE MD . . 4.280 3.132 2.495 4.281 0.001 6 0 "[ . 1 . 2]" 1
556 1 37 GLN HE22 1 40 GLU HA . . 4.000 2.680 2.368 3.207 . 0 0 "[ . 1 . 2]" 1
557 1 37 GLN QG 1 38 ILE H . . 4.050 2.529 2.320 2.714 . 0 0 "[ . 1 . 2]" 1
558 1 37 GLN QG 1 39 ASP H . . 3.900 2.813 2.688 2.908 . 0 0 "[ . 1 . 2]" 1
559 1 37 GLN QG 1 43 TYR QD . . 4.650 2.802 2.190 3.548 . 0 0 "[ . 1 . 2]" 1
560 1 37 GLN QG 1 43 TYR QE . . 4.270 3.331 2.683 4.165 . 0 0 "[ . 1 . 2]" 1
561 1 37 GLN QG 1 56 ILE MD . . 4.120 3.682 3.115 4.110 . 0 0 "[ . 1 . 2]" 1
562 1 37 GLN HG2 1 38 ILE H . . 4.880 2.788 2.383 3.543 . 0 0 "[ . 1 . 2]" 1
563 1 37 GLN HG2 1 39 ASP H . . 4.520 3.076 2.760 3.607 . 0 0 "[ . 1 . 2]" 1
564 1 37 GLN HG3 1 38 ILE H . . 4.880 3.169 2.526 4.176 . 0 0 "[ . 1 . 2]" 1
565 1 37 GLN HG3 1 39 ASP H . . 4.520 3.521 2.933 4.492 . 0 0 "[ . 1 . 2]" 1
566 1 38 ILE H 1 38 ILE HB . . 3.430 2.485 2.429 2.541 . 0 0 "[ . 1 . 2]" 1
567 1 38 ILE H 1 38 ILE MD . . 4.690 2.337 2.078 2.474 . 0 0 "[ . 1 . 2]" 1
568 1 38 ILE H 1 38 ILE HG12 . . 4.290 4.269 4.179 4.300 0.010 3 0 "[ . 1 . 2]" 1
569 1 38 ILE H 1 38 ILE QG . . 3.670 3.374 3.275 3.495 . 0 0 "[ . 1 . 2]" 1
570 1 38 ILE H 1 38 ILE HG13 . . 4.290 3.536 3.421 3.701 . 0 0 "[ . 1 . 2]" 1
571 1 38 ILE H 1 38 ILE MG . . 4.240 3.774 3.749 3.802 . 0 0 "[ . 1 . 2]" 1
572 1 38 ILE H 1 39 ASP H . . 3.420 2.194 2.130 2.299 . 0 0 "[ . 1 . 2]" 1
573 1 38 ILE H 1 43 TYR HA . . 3.650 3.448 3.249 3.626 . 0 0 "[ . 1 . 2]" 1
574 1 38 ILE H 1 43 TYR QD . . 5.500 4.474 4.163 4.750 . 0 0 "[ . 1 . 2]" 1
575 1 38 ILE HA 1 38 ILE MD . . 3.680 3.274 3.122 3.325 . 0 0 "[ . 1 . 2]" 1
576 1 38 ILE HA 1 38 ILE HG12 . . 4.130 3.489 3.469 3.554 . 0 0 "[ . 1 . 2]" 1
577 1 38 ILE HA 1 38 ILE QG . . 3.570 2.241 2.216 2.279 . 0 0 "[ . 1 . 2]" 1
578 1 38 ILE HA 1 38 ILE HG13 . . 4.130 2.269 2.242 2.307 . 0 0 "[ . 1 . 2]" 1
579 1 38 ILE HA 1 38 ILE MG . . 3.330 2.398 2.351 2.444 . 0 0 "[ . 1 . 2]" 1
580 1 38 ILE HB 1 39 ASP H . . 3.670 2.549 2.527 2.567 . 0 0 "[ . 1 . 2]" 1
581 1 38 ILE HB 1 42 TRP HB2 . . 4.070 3.953 3.875 4.026 . 0 0 "[ . 1 . 2]" 1
582 1 38 ILE HB 1 42 TRP HB3 . . 4.780 4.648 4.529 4.711 . 0 0 "[ . 1 . 2]" 1
583 1 38 ILE MD 1 42 TRP HB2 . . 4.740 4.678 4.593 4.742 0.002 18 0 "[ . 1 . 2]" 1
584 1 38 ILE MD 1 42 TRP HB3 . . 4.720 4.713 4.593 4.728 0.008 13 0 "[ . 1 . 2]" 1
585 1 38 ILE MD 1 44 GLU QB . . 3.960 1.912 1.825 2.040 . 0 0 "[ . 1 . 2]" 1
586 1 38 ILE MD 1 44 GLU QG . . 4.250 2.384 2.009 2.918 . 0 0 "[ . 1 . 2]" 1
587 1 38 ILE MD 1 53 PHE HB2 . . 4.660 4.641 4.507 4.663 0.003 9 0 "[ . 1 . 2]" 1
588 1 38 ILE MD 1 53 PHE HB3 . . 3.910 3.444 3.300 3.572 . 0 0 "[ . 1 . 2]" 1
589 1 38 ILE MD 1 53 PHE QD . . 4.380 2.451 2.150 2.807 . 0 0 "[ . 1 . 2]" 1
590 1 38 ILE MD 1 53 PHE QE . . 4.430 2.251 1.954 2.649 . 0 0 "[ . 1 . 2]" 1
591 1 38 ILE HG12 1 38 ILE MG . . 3.630 2.086 2.033 2.156 . 0 0 "[ . 1 . 2]" 1
592 1 38 ILE HG13 1 38 ILE MG . . 3.630 2.706 2.623 2.729 . 0 0 "[ . 1 . 2]" 1
593 1 38 ILE MG 1 39 ASP H . . 4.210 3.238 3.186 3.302 . 0 0 "[ . 1 . 2]" 1
594 1 38 ILE MG 1 39 ASP HB2 . . 4.710 4.175 3.249 4.655 . 0 0 "[ . 1 . 2]" 1
595 1 38 ILE MG 1 39 ASP QB . . 4.110 3.777 3.187 4.052 . 0 0 "[ . 1 . 2]" 1
596 1 38 ILE MG 1 39 ASP HB3 . . 4.710 4.526 4.372 4.717 0.007 9 0 "[ . 1 . 2]" 1
597 1 38 ILE MG 1 42 TRP HB2 . . 4.560 4.563 4.551 4.570 0.010 5 0 "[ . 1 . 2]" 1
598 1 38 ILE MG 1 42 TRP HB3 . . 5.500 5.440 5.322 5.500 0.000 2 0 "[ . 1 . 2]" 1
599 1 39 ASP H 1 42 TRP H . . 3.950 3.618 3.557 3.678 . 0 0 "[ . 1 . 2]" 1
600 1 39 ASP H 1 42 TRP HB2 . . 4.660 2.678 2.549 2.814 . 0 0 "[ . 1 . 2]" 1
601 1 39 ASP QB 1 40 GLU H . . 3.020 2.359 2.038 2.838 . 0 0 "[ . 1 . 2]" 1
602 1 40 GLU H 1 40 GLU HB2 . . 3.960 2.733 2.230 3.657 . 0 0 "[ . 1 . 2]" 1
603 1 40 GLU H 1 40 GLU HB3 . . 3.960 3.144 2.340 3.641 . 0 0 "[ . 1 . 2]" 1
604 1 40 GLU H 1 40 GLU QG . . 4.150 3.016 1.896 4.099 . 0 0 "[ . 1 . 2]" 1
605 1 40 GLU H 1 41 ASN H . . 3.870 2.326 2.250 2.427 . 0 0 "[ . 1 . 2]" 1
606 1 40 GLU HA 1 40 GLU QG . . 3.870 2.739 2.254 3.438 . 0 0 "[ . 1 . 2]" 1
607 1 41 ASN H 1 41 ASN HB2 . . 4.080 2.537 2.532 2.549 . 0 0 "[ . 1 . 2]" 1
608 1 41 ASN H 1 41 ASN QB . . 3.300 2.491 2.486 2.505 . 0 0 "[ . 1 . 2]" 1
609 1 41 ASN H 1 41 ASN HB3 . . 4.080 3.643 3.627 3.676 . 0 0 "[ . 1 . 2]" 1
610 1 41 ASN H 1 41 ASN QD . . 4.560 3.967 3.058 4.538 . 0 0 "[ . 1 . 2]" 1
611 1 41 ASN H 1 42 TRP H . . 3.020 2.004 1.853 2.111 . 0 0 "[ . 1 . 2]" 1
612 1 41 ASN H 1 42 TRP HD1 . . 4.470 2.408 2.228 2.672 . 0 0 "[ . 1 . 2]" 1
613 1 41 ASN QB 1 42 TRP H . . 3.790 3.534 3.386 3.617 . 0 0 "[ . 1 . 2]" 1
614 1 41 ASN QB 1 42 TRP HD1 . . 3.320 2.737 2.547 3.073 . 0 0 "[ . 1 . 2]" 1
615 1 41 ASN QB 1 42 TRP HE1 . . 3.920 3.335 3.192 3.607 . 0 0 "[ . 1 . 2]" 1
616 1 41 ASN HB2 1 42 TRP H . . 4.480 3.822 3.632 3.935 . 0 0 "[ . 1 . 2]" 1
617 1 41 ASN HB2 1 42 TRP HD1 . . 4.090 2.835 2.642 3.198 . 0 0 "[ . 1 . 2]" 1
618 1 41 ASN HB2 1 42 TRP HE1 . . 4.660 3.548 3.336 3.871 . 0 0 "[ . 1 . 2]" 1
619 1 41 ASN HB3 1 42 TRP H . . 4.480 4.164 4.047 4.226 . 0 0 "[ . 1 . 2]" 1
620 1 41 ASN HB3 1 42 TRP HD1 . . 4.090 3.609 3.337 3.978 . 0 0 "[ . 1 . 2]" 1
621 1 41 ASN HB3 1 42 TRP HE1 . . 4.660 4.059 3.887 4.305 . 0 0 "[ . 1 . 2]" 1
622 1 42 TRP H 1 42 TRP HB2 . . 3.610 2.664 2.612 2.715 . 0 0 "[ . 1 . 2]" 1
623 1 42 TRP H 1 42 TRP HB3 . . 4.150 3.789 3.761 3.819 . 0 0 "[ . 1 . 2]" 1
624 1 42 TRP H 1 42 TRP HD1 . . 4.010 2.665 2.492 3.031 . 0 0 "[ . 1 . 2]" 1
625 1 42 TRP H 1 56 ILE MD . . 4.550 3.021 2.622 3.694 . 0 0 "[ . 1 . 2]" 1
626 1 42 TRP HA 1 43 TYR H . . 3.040 2.324 2.170 2.432 . 0 0 "[ . 1 . 2]" 1
627 1 42 TRP HA 1 55 PRO HA . . 3.670 2.783 2.481 3.106 . 0 0 "[ . 1 . 2]" 1
628 1 42 TRP HA 1 56 ILE H . . 3.990 3.545 3.153 3.993 0.003 13 0 "[ . 1 . 2]" 1
629 1 42 TRP HB3 1 42 TRP HE3 . . 4.050 2.420 2.399 2.495 . 0 0 "[ . 1 . 2]" 1
630 1 42 TRP HB3 1 43 TYR H . . 4.110 2.668 2.378 3.177 . 0 0 "[ . 1 . 2]" 1
631 1 42 TRP HB3 1 54 PHE H . . 4.460 3.499 3.177 3.804 . 0 0 "[ . 1 . 2]" 1
632 1 42 TRP HE3 1 43 TYR H . . 4.800 3.971 3.659 4.470 . 0 0 "[ . 1 . 2]" 1
633 1 42 TRP HE3 1 53 PHE HB2 . . 4.670 2.585 2.181 2.849 . 0 0 "[ . 1 . 2]" 1
634 1 42 TRP HE3 1 53 PHE HB3 . . 4.190 3.030 2.789 3.289 . 0 0 "[ . 1 . 2]" 1
635 1 42 TRP HE3 1 54 PHE H . . 3.880 3.243 2.993 3.606 . 0 0 "[ . 1 . 2]" 1
636 1 42 TRP HE3 1 54 PHE HA . . 4.110 2.947 2.688 3.231 . 0 0 "[ . 1 . 2]" 1
637 1 42 TRP HE3 1 55 PRO HA . . 4.690 4.098 3.706 4.530 . 0 0 "[ . 1 . 2]" 1
638 1 42 TRP HE3 1 55 PRO HD2 . . 5.220 4.799 4.478 5.027 . 0 0 "[ . 1 . 2]" 1
639 1 42 TRP HH2 1 55 PRO HD3 . . 4.860 3.881 3.437 4.186 . 0 0 "[ . 1 . 2]" 1
640 1 42 TRP HH2 1 55 PRO HG3 . . 4.980 4.802 4.156 4.981 0.001 20 0 "[ . 1 . 2]" 1
641 1 42 TRP HZ3 1 54 PHE HA . . 3.800 3.027 2.597 3.450 . 0 0 "[ . 1 . 2]" 1
642 1 42 TRP HZ3 1 55 PRO HD2 . . 4.720 4.398 3.677 4.689 . 0 0 "[ . 1 . 2]" 1
643 1 42 TRP HZ3 1 55 PRO HD3 . . 4.510 2.910 2.110 3.181 . 0 0 "[ . 1 . 2]" 1
644 1 43 TYR H 1 43 TYR HB2 . . 4.100 2.540 2.351 2.657 . 0 0 "[ . 1 . 2]" 1
645 1 43 TYR H 1 43 TYR QB . . 3.380 2.496 2.319 2.602 . 0 0 "[ . 1 . 2]" 1
646 1 43 TYR H 1 43 TYR HB3 . . 4.100 3.669 3.544 3.744 . 0 0 "[ . 1 . 2]" 1
647 1 43 TYR H 1 43 TYR QD . . 4.600 3.924 3.717 4.101 . 0 0 "[ . 1 . 2]" 1
648 1 43 TYR H 1 54 PHE H . . 3.850 2.567 2.277 2.831 . 0 0 "[ . 1 . 2]" 1
649 1 43 TYR H 1 54 PHE QE . . 5.200 4.530 4.112 4.935 . 0 0 "[ . 1 . 2]" 1
650 1 43 TYR H 1 55 PRO HA . . 4.600 4.375 4.027 4.600 0.000 11 0 "[ . 1 . 2]" 1
651 1 43 TYR H 1 56 ILE H . . 5.500 5.222 4.642 5.496 . 0 0 "[ . 1 . 2]" 1
652 1 43 TYR HA 1 43 TYR QD . . 4.060 2.000 1.995 2.030 . 0 0 "[ . 1 . 2]" 1
653 1 43 TYR HA 1 44 GLU H . . 3.320 2.480 2.253 2.603 . 0 0 "[ . 1 . 2]" 1
654 1 43 TYR QB 1 44 GLU H . . 3.400 2.280 2.043 2.792 . 0 0 "[ . 1 . 2]" 1
655 1 43 TYR QB 1 54 PHE QD . . 5.340 3.643 3.339 3.912 . 0 0 "[ . 1 . 2]" 1
656 1 43 TYR QB 1 54 PHE QE . . 4.170 2.870 2.237 3.126 . 0 0 "[ . 1 . 2]" 1
657 1 43 TYR HB2 1 44 GLU H . . 4.250 3.705 3.559 4.044 . 0 0 "[ . 1 . 2]" 1
658 1 43 TYR HB2 1 54 PHE QE . . 4.770 3.121 2.619 3.383 . 0 0 "[ . 1 . 2]" 1
659 1 43 TYR HB3 1 44 GLU H . . 4.250 2.303 2.056 2.847 . 0 0 "[ . 1 . 2]" 1
660 1 43 TYR HB3 1 54 PHE QE . . 4.770 3.412 2.329 3.899 . 0 0 "[ . 1 . 2]" 1
661 1 43 TYR QD 1 44 GLU H . . 4.620 3.095 2.834 3.385 . 0 0 "[ . 1 . 2]" 1
662 1 43 TYR QD 1 56 ILE HA . . 4.080 3.736 3.476 4.037 . 0 0 "[ . 1 . 2]" 1
663 1 43 TYR QD 1 56 ILE MD . . 4.440 3.122 2.900 3.289 . 0 0 "[ . 1 . 2]" 1
664 1 43 TYR QD 1 56 ILE MG . . 4.430 3.356 2.412 3.955 . 0 0 "[ . 1 . 2]" 1
665 1 43 TYR QD 1 65 LEU MD1 . . 4.480 3.224 2.919 3.484 . 0 0 "[ . 1 . 2]" 1
666 1 43 TYR QE 1 56 ILE HA . . 4.440 4.359 3.928 4.442 0.002 12 0 "[ . 1 . 2]" 1
667 1 43 TYR QE 1 56 ILE HB . . 4.850 4.552 4.284 4.753 . 0 0 "[ . 1 . 2]" 1
668 1 43 TYR QE 1 56 ILE MD . . 3.990 2.565 2.113 3.693 . 0 0 "[ . 1 . 2]" 1
669 1 43 TYR QE 1 56 ILE QG . . 4.660 2.525 2.013 3.113 . 0 0 "[ . 1 . 2]" 1
670 1 43 TYR QE 1 56 ILE MG . . 3.440 2.294 1.911 2.714 . 0 0 "[ . 1 . 2]" 1
671 1 43 TYR QE 1 59 VAL MG2 . . 4.000 3.947 3.753 4.003 0.003 7 0 "[ . 1 . 2]" 1
672 1 43 TYR QE 1 61 ILE MD . . 4.010 2.105 1.887 2.453 . 0 0 "[ . 1 . 2]" 1
673 1 43 TYR QE 1 61 ILE QG . . 4.620 2.301 1.881 3.350 . 0 0 "[ . 1 . 2]" 1
674 1 43 TYR QE 1 65 LEU MD1 . . 3.890 2.639 1.957 3.224 . 0 0 "[ . 1 . 2]" 1
675 1 44 GLU H 1 44 GLU HB2 . . 4.080 2.894 2.528 3.195 . 0 0 "[ . 1 . 2]" 1
676 1 44 GLU H 1 44 GLU QB . . 3.580 2.565 2.357 2.714 . 0 0 "[ . 1 . 2]" 1
677 1 44 GLU H 1 44 GLU HB3 . . 4.080 2.886 2.645 2.969 . 0 0 "[ . 1 . 2]" 1
678 1 44 GLU HA 1 45 GLY H . . 3.100 2.160 2.143 2.225 . 0 0 "[ . 1 . 2]" 1
679 1 44 GLU HA 1 53 PHE HA . . 3.230 2.877 2.689 3.123 . 0 0 "[ . 1 . 2]" 1
680 1 44 GLU HA 1 53 PHE HB3 . . 4.840 4.349 3.961 4.699 . 0 0 "[ . 1 . 2]" 1
681 1 44 GLU HA 1 53 PHE QD . . 4.730 2.846 2.432 3.209 . 0 0 "[ . 1 . 2]" 1
682 1 44 GLU HA 1 54 PHE H . . 4.330 4.144 3.920 4.313 . 0 0 "[ . 1 . 2]" 1
683 1 44 GLU QB 1 53 PHE QD . . 4.590 3.138 2.457 3.582 . 0 0 "[ . 1 . 2]" 1
684 1 44 GLU QB 1 53 PHE QE . . 4.760 3.852 3.295 4.203 . 0 0 "[ . 1 . 2]" 1
685 1 44 GLU QG 1 53 PHE QD . . 4.580 2.250 1.990 3.691 . 0 0 "[ . 1 . 2]" 1
686 1 44 GLU QG 1 53 PHE QE . . 4.690 2.376 1.990 3.412 . 0 0 "[ . 1 . 2]" 1
687 1 44 GLU HG2 1 45 GLY H . . 4.100 3.030 2.494 4.100 . 0 0 "[ . 1 . 2]" 1
688 1 44 GLU HG3 1 45 GLY H . . 4.100 3.802 2.545 4.100 0.000 1 0 "[ . 1 . 2]" 1
689 1 45 GLY H 1 52 GLY H . . 3.650 3.583 3.376 3.651 0.001 12 0 "[ . 1 . 2]" 1
690 1 45 GLY H 1 53 PHE HA . . 4.440 4.051 3.702 4.294 . 0 0 "[ . 1 . 2]" 1
691 1 45 GLY H 1 54 PHE QD . . 4.520 3.840 3.413 4.227 . 0 0 "[ . 1 . 2]" 1
692 1 45 GLY H 1 54 PHE QE . . 3.990 2.573 2.085 3.204 . 0 0 "[ . 1 . 2]" 1
693 1 45 GLY HA2 1 46 MET H . . 3.470 2.612 2.552 2.624 . 0 0 "[ . 1 . 2]" 1
694 1 45 GLY HA2 1 54 PHE QE . . 4.670 4.209 3.841 4.667 . 0 0 "[ . 1 . 2]" 1
695 1 45 GLY HA3 1 46 MET H . . 3.330 2.516 2.503 2.575 . 0 0 "[ . 1 . 2]" 1
696 1 45 GLY HA3 1 54 PHE QE . . 3.950 2.942 2.497 3.506 . 0 0 "[ . 1 . 2]" 1
697 1 46 MET H 1 46 MET HB2 . . 3.980 2.401 2.333 2.511 . 0 0 "[ . 1 . 2]" 1
698 1 46 MET H 1 46 MET HB3 . . 4.060 3.565 3.537 3.611 . 0 0 "[ . 1 . 2]" 1
699 1 46 MET H 1 46 MET HG2 . . 5.110 4.393 4.212 4.586 . 0 0 "[ . 1 . 2]" 1
700 1 46 MET H 1 46 MET HG3 . . 4.600 3.527 3.424 3.659 . 0 0 "[ . 1 . 2]" 1
701 1 46 MET HA 1 47 LEU H . . 2.900 2.163 2.141 2.226 . 0 0 "[ . 1 . 2]" 1
702 1 46 MET HA 1 51 SER H . . 5.080 4.823 4.191 5.052 . 0 0 "[ . 1 . 2]" 1
703 1 46 MET HA 1 51 SER HA . . 3.310 2.682 2.014 3.056 . 0 0 "[ . 1 . 2]" 1
704 1 46 MET HA 1 51 SER HB2 . . 5.360 4.272 3.441 5.047 . 0 0 "[ . 1 . 2]" 1
705 1 46 MET HA 1 51 SER QB . . 4.610 3.719 3.092 4.051 . 0 0 "[ . 1 . 2]" 1
706 1 46 MET HA 1 51 SER HB3 . . 5.360 4.407 3.405 5.257 . 0 0 "[ . 1 . 2]" 1
707 1 46 MET HA 1 52 GLY H . . 4.360 4.015 3.547 4.257 . 0 0 "[ . 1 . 2]" 1
708 1 46 MET HB3 1 47 LEU H . . 4.150 3.389 3.023 3.694 . 0 0 "[ . 1 . 2]" 1
709 1 46 MET HG2 1 47 LEU H . . 4.590 3.855 3.567 4.173 . 0 0 "[ . 1 . 2]" 1
710 1 46 MET HG2 1 50 HIS H . . 4.730 4.506 4.217 4.730 0.000 5 0 "[ . 1 . 2]" 1
711 1 46 MET HG2 1 51 SER HA . . 4.580 3.467 2.926 4.133 . 0 0 "[ . 1 . 2]" 1
712 1 46 MET HG2 1 51 SER HB2 . . 4.990 3.637 2.405 4.834 . 0 0 "[ . 1 . 2]" 1
713 1 46 MET HG2 1 51 SER HB3 . . 4.990 3.525 2.023 4.775 . 0 0 "[ . 1 . 2]" 1
714 1 46 MET HG3 1 51 SER HA . . 4.790 3.864 3.364 4.378 . 0 0 "[ . 1 . 2]" 1
715 1 46 MET HG3 1 51 SER HB2 . . 5.070 3.821 2.796 4.977 . 0 0 "[ . 1 . 2]" 1
716 1 46 MET HG3 1 51 SER QB . . 4.470 3.274 2.315 3.905 . 0 0 "[ . 1 . 2]" 1
717 1 46 MET HG3 1 51 SER HB3 . . 5.070 4.010 2.471 5.047 . 0 0 "[ . 1 . 2]" 1
718 1 47 LEU H 1 47 LEU HB2 . . 4.120 3.161 2.965 3.451 . 0 0 "[ . 1 . 2]" 1
719 1 47 LEU H 1 47 LEU QB . . 3.420 2.645 2.501 2.756 . 0 0 "[ . 1 . 2]" 1
720 1 47 LEU H 1 47 LEU HB3 . . 4.120 2.848 2.684 3.022 . 0 0 "[ . 1 . 2]" 1
721 1 47 LEU H 1 50 HIS H . . 3.700 2.703 2.410 2.925 . 0 0 "[ . 1 . 2]" 1
722 1 47 LEU H 1 51 SER HA . . 4.220 3.665 3.200 4.022 . 0 0 "[ . 1 . 2]" 1
723 1 47 LEU HA 1 47 LEU MD1 . . 3.280 2.196 1.998 2.423 . 0 0 "[ . 1 . 2]" 1
724 1 47 LEU HA 1 47 LEU MD2 . . 4.150 3.891 3.838 3.953 . 0 0 "[ . 1 . 2]" 1
725 1 47 LEU QB 1 47 LEU MD2 . . 2.980 2.074 2.025 2.101 . 0 0 "[ . 1 . 2]" 1
726 1 47 LEU HB2 1 47 LEU MD2 . . 3.480 2.414 2.311 2.526 . 0 0 "[ . 1 . 2]" 1
727 1 47 LEU HB3 1 47 LEU MD2 . . 3.480 2.269 2.153 2.352 . 0 0 "[ . 1 . 2]" 1
728 1 47 LEU MD1 1 48 HIS QB . . 4.450 4.189 3.573 4.459 0.009 15 0 "[ . 1 . 2]" 1
729 1 47 LEU MD1 1 48 HIS HD2 . . 4.490 3.146 2.132 4.331 . 0 0 "[ . 1 . 2]" 1
730 1 47 LEU MD2 1 48 HIS QB . . 4.200 3.950 3.653 4.145 . 0 0 "[ . 1 . 2]" 1
731 1 47 LEU MD2 1 48 HIS HD2 . . 3.930 3.100 1.966 3.643 . 0 0 "[ . 1 . 2]" 1
732 1 48 HIS HA 1 48 HIS HD2 . . 4.720 4.141 3.160 4.684 . 0 0 "[ . 1 . 2]" 1
733 1 48 HIS QB 1 50 HIS HD2 . . 4.440 2.512 2.026 4.201 . 0 0 "[ . 1 . 2]" 1
734 1 49 GLY H 1 50 HIS H . . 4.060 2.586 2.442 2.675 . 0 0 "[ . 1 . 2]" 1
735 1 50 HIS H 1 50 HIS HB2 . . 3.920 2.679 2.512 3.591 . 0 0 "[ . 1 . 2]" 1
736 1 50 HIS H 1 50 HIS QB . . 3.160 2.585 2.474 2.693 . 0 0 "[ . 1 . 2]" 1
737 1 50 HIS H 1 50 HIS HB3 . . 3.920 3.714 2.692 3.828 . 0 0 "[ . 1 . 2]" 1
738 1 50 HIS H 1 50 HIS HD2 . . 4.540 3.953 3.226 4.541 0.001 18 0 "[ . 1 . 2]" 1
739 1 50 HIS HA 1 51 SER H . . 3.000 2.186 2.140 2.499 . 0 0 "[ . 1 . 2]" 1
740 1 50 HIS QB 1 51 SER H . . 3.610 3.099 2.221 3.605 . 0 0 "[ . 1 . 2]" 1
741 1 50 HIS HB2 1 51 SER H . . 4.400 4.123 3.381 4.311 . 0 0 "[ . 1 . 2]" 1
742 1 50 HIS HB3 1 51 SER H . . 4.400 3.229 2.252 4.311 . 0 0 "[ . 1 . 2]" 1
743 1 51 SER H 1 51 SER HB2 . . 4.150 3.365 2.506 3.801 . 0 0 "[ . 1 . 2]" 1
744 1 51 SER H 1 51 SER QB . . 3.510 2.684 2.330 2.945 . 0 0 "[ . 1 . 2]" 1
745 1 51 SER H 1 51 SER HB3 . . 4.150 2.855 2.466 3.076 . 0 0 "[ . 1 . 2]" 1
746 1 51 SER HA 1 52 GLY H . . 3.030 2.157 2.143 2.188 . 0 0 "[ . 1 . 2]" 1
747 1 52 GLY QA 1 53 PHE H . . 3.080 2.279 2.261 2.283 . 0 0 "[ . 1 . 2]" 1
748 1 53 PHE H 1 53 PHE HB2 . . 3.980 2.846 2.769 2.887 . 0 0 "[ . 1 . 2]" 1
749 1 53 PHE H 1 53 PHE QD . . 4.520 3.084 2.940 3.157 . 0 0 "[ . 1 . 2]" 1
750 1 53 PHE HA 1 53 PHE QD . . 4.190 2.483 2.393 2.563 . 0 0 "[ . 1 . 2]" 1
751 1 53 PHE HA 1 54 PHE H . . 3.130 2.208 2.152 2.286 . 0 0 "[ . 1 . 2]" 1
752 1 53 PHE HA 1 54 PHE QD . . 4.440 2.921 2.708 3.210 . 0 0 "[ . 1 . 2]" 1
753 1 53 PHE HB2 1 54 PHE H . . 3.920 3.730 3.502 3.921 0.001 12 0 "[ . 1 . 2]" 1
754 1 53 PHE HB3 1 54 PHE H . . 4.010 3.122 2.874 3.376 . 0 0 "[ . 1 . 2]" 1
755 1 54 PHE H 1 54 PHE QD . . 3.890 2.399 2.061 2.751 . 0 0 "[ . 1 . 2]" 1
756 1 54 PHE HA 1 55 PRO HD2 . . 3.280 2.403 2.341 2.441 . 0 0 "[ . 1 . 2]" 1
757 1 54 PHE HA 1 55 PRO HD3 . . 3.720 2.299 2.278 2.314 . 0 0 "[ . 1 . 2]" 1
758 1 54 PHE HB2 1 55 PRO HD3 . . 3.870 3.497 3.445 3.607 . 0 0 "[ . 1 . 2]" 1
759 1 54 PHE HB3 1 55 PRO HD2 . . 4.290 3.147 2.981 3.392 . 0 0 "[ . 1 . 2]" 1
760 1 54 PHE HB3 1 55 PRO HD3 . . 4.400 4.149 4.004 4.360 . 0 0 "[ . 1 . 2]" 1
761 1 54 PHE QD 1 55 PRO HD3 . . 5.200 4.989 4.790 5.058 . 0 0 "[ . 1 . 2]" 1
762 1 54 PHE QD 1 59 VAL MG1 . . 3.800 2.442 2.050 2.682 . 0 0 "[ . 1 . 2]" 1
763 1 54 PHE QD 1 59 VAL MG2 . . 4.360 2.579 2.136 3.010 . 0 0 "[ . 1 . 2]" 1
764 1 54 PHE QE 1 59 VAL MG1 . . 3.390 3.220 2.850 3.391 0.001 4 0 "[ . 1 . 2]" 1
765 1 54 PHE QE 1 59 VAL MG2 . . 3.370 2.176 1.923 2.500 . 0 0 "[ . 1 . 2]" 1
766 1 54 PHE HZ 1 59 VAL MG1 . . 5.330 5.170 4.822 5.331 0.001 11 0 "[ . 1 . 2]" 1
767 1 55 PRO HA 1 56 ILE H . . 3.040 2.255 2.193 2.310 . 0 0 "[ . 1 . 2]" 1
768 1 55 PRO HB2 1 57 ASN H . . 4.060 2.773 2.493 3.138 . 0 0 "[ . 1 . 2]" 1
769 1 55 PRO HB2 1 58 TYR H . . 4.240 3.308 3.027 3.636 . 0 0 "[ . 1 . 2]" 1
770 1 55 PRO HB3 1 56 ILE H . . 4.260 3.686 3.586 3.828 . 0 0 "[ . 1 . 2]" 1
771 1 55 PRO HB3 1 57 ASN H . . 4.570 4.127 3.935 4.433 . 0 0 "[ . 1 . 2]" 1
772 1 55 PRO HD2 1 58 TYR QD . . 4.370 4.220 3.975 4.363 . 0 0 "[ . 1 . 2]" 1
773 1 55 PRO HG2 1 58 TYR H . . 4.740 3.845 3.593 4.087 . 0 0 "[ . 1 . 2]" 1
774 1 55 PRO HG2 1 58 TYR QD . . 4.630 2.112 2.000 2.312 . 0 0 "[ . 1 . 2]" 1
775 1 56 ILE H 1 56 ILE HB . . 3.340 2.559 2.431 2.770 . 0 0 "[ . 1 . 2]" 1
776 1 56 ILE H 1 56 ILE MD . . 4.410 3.480 2.156 3.728 . 0 0 "[ . 1 . 2]" 1
777 1 56 ILE H 1 56 ILE HG12 . . 4.230 3.736 3.356 4.187 . 0 0 "[ . 1 . 2]" 1
778 1 56 ILE H 1 56 ILE QG . . 3.360 2.437 1.977 3.360 0.000 8 0 "[ . 1 . 2]" 1
779 1 56 ILE H 1 56 ILE HG13 . . 4.230 2.476 1.990 3.539 . 0 0 "[ . 1 . 2]" 1
780 1 56 ILE H 1 56 ILE MG . . 3.930 3.802 3.752 3.824 . 0 0 "[ . 1 . 2]" 1
781 1 56 ILE H 1 57 ASN H . . 3.410 2.206 2.169 2.284 . 0 0 "[ . 1 . 2]" 1
782 1 56 ILE HA 1 56 ILE MD . . 4.080 3.821 3.155 3.967 . 0 0 "[ . 1 . 2]" 1
783 1 56 ILE HA 1 56 ILE HG12 . . 4.050 2.742 2.570 3.540 . 0 0 "[ . 1 . 2]" 1
784 1 56 ILE HA 1 56 ILE QG . . 3.510 2.458 2.235 2.640 . 0 0 "[ . 1 . 2]" 1
785 1 56 ILE HA 1 56 ILE HG13 . . 4.050 2.904 2.261 3.186 . 0 0 "[ . 1 . 2]" 1
786 1 56 ILE HA 1 56 ILE MG . . 3.610 2.316 2.215 2.398 . 0 0 "[ . 1 . 2]" 1
787 1 56 ILE HA 1 58 TYR H . . 3.970 3.300 3.181 3.434 . 0 0 "[ . 1 . 2]" 1
788 1 56 ILE HA 1 59 VAL H . . 4.760 2.999 2.864 3.783 . 0 0 "[ . 1 . 2]" 1
789 1 56 ILE HA 1 59 VAL MG2 . . 3.570 2.009 1.942 2.186 . 0 0 "[ . 1 . 2]" 1
790 1 56 ILE HB 1 56 ILE MD . . 3.560 2.288 2.100 2.428 . 0 0 "[ . 1 . 2]" 1
791 1 56 ILE HB 1 57 ASN H . . 3.900 3.108 2.744 3.376 . 0 0 "[ . 1 . 2]" 1
792 1 56 ILE MD 1 56 ILE MG . . 3.290 2.213 1.926 3.166 . 0 0 "[ . 1 . 2]" 1
793 1 56 ILE MD 1 59 VAL MG2 . . 4.600 4.478 4.166 4.596 . 0 0 "[ . 1 . 2]" 1
794 1 56 ILE QG 1 57 ASN H . . 4.510 4.116 3.790 4.514 0.004 19 0 "[ . 1 . 2]" 1
795 1 56 ILE MG 1 57 ASN H . . 4.220 3.849 3.443 4.088 . 0 0 "[ . 1 . 2]" 1
796 1 57 ASN H 1 57 ASN HB2 . . 3.770 2.530 2.199 3.557 . 0 0 "[ . 1 . 2]" 1
797 1 57 ASN H 1 57 ASN QB . . 3.310 2.294 2.154 2.827 . 0 0 "[ . 1 . 2]" 1
798 1 57 ASN H 1 57 ASN HB3 . . 3.770 3.073 2.246 3.608 . 0 0 "[ . 1 . 2]" 1
799 1 57 ASN H 1 58 TYR H . . 3.620 2.650 2.572 2.720 . 0 0 "[ . 1 . 2]" 1
800 1 57 ASN HA 1 59 VAL H . . 4.790 4.368 3.769 4.620 . 0 0 "[ . 1 . 2]" 1
801 1 58 TYR H 1 58 TYR QB . . 3.150 2.382 2.252 2.605 . 0 0 "[ . 1 . 2]" 1
802 1 58 TYR H 1 59 VAL MG1 . . 4.440 3.764 3.357 4.060 . 0 0 "[ . 1 . 2]" 1
803 1 58 TYR H 1 59 VAL MG2 . . 5.020 3.474 2.974 3.836 . 0 0 "[ . 1 . 2]" 1
804 1 58 TYR QB 1 59 VAL H . . 4.420 2.941 2.722 3.681 . 0 0 "[ . 1 . 2]" 1
805 1 58 TYR HB2 1 59 VAL MG1 . . 4.090 3.126 2.908 3.360 . 0 0 "[ . 1 . 2]" 1
806 1 58 TYR HB3 1 59 VAL MG1 . . 4.090 3.013 2.769 3.468 . 0 0 "[ . 1 . 2]" 1
807 1 58 TYR QD 1 59 VAL MG1 . . 4.850 4.553 4.430 4.726 . 0 0 "[ . 1 . 2]" 1
808 1 59 VAL H 1 59 VAL MG1 . . 3.670 2.612 2.257 3.055 . 0 0 "[ . 1 . 2]" 1
809 1 59 VAL H 1 59 VAL MG2 . . 3.270 2.206 1.962 2.507 . 0 0 "[ . 1 . 2]" 1
810 1 59 VAL HA 1 59 VAL MG1 . . 3.400 2.447 2.285 2.556 . 0 0 "[ . 1 . 2]" 1
811 1 59 VAL HA 1 60 GLU H . . 3.210 2.261 2.155 2.473 . 0 0 "[ . 1 . 2]" 1
812 1 59 VAL HB 1 60 GLU H . . 3.410 2.840 2.279 3.244 . 0 0 "[ . 1 . 2]" 1
813 1 59 VAL MG2 1 60 GLU H . . 4.280 3.527 2.905 3.832 . 0 0 "[ . 1 . 2]" 1
814 1 59 VAL MG2 1 61 ILE MD . . 3.820 2.762 2.318 3.316 . 0 0 "[ . 1 . 2]" 1
815 1 59 VAL MG2 1 61 ILE QG . . 4.520 3.619 3.296 3.931 . 0 0 "[ . 1 . 2]" 1
816 1 60 GLU H 1 60 GLU QB . . 3.600 2.395 2.166 2.846 . 0 0 "[ . 1 . 2]" 1
817 1 60 GLU H 1 60 GLU QG . . 4.540 3.821 2.055 4.202 . 0 0 "[ . 1 . 2]" 1
818 1 60 GLU QB 1 61 ILE H . . 4.270 3.442 2.697 3.720 . 0 0 "[ . 1 . 2]" 1
819 1 60 GLU QB 1 62 LEU MD2 . . 4.370 3.064 2.439 3.619 . 0 0 "[ . 1 . 2]" 1
820 1 60 GLU QG 1 61 ILE H . . 4.160 2.927 2.431 4.161 0.001 18 0 "[ . 1 . 2]" 1
821 1 60 GLU QG 1 62 LEU MD2 . . 4.220 3.195 2.049 4.193 . 0 0 "[ . 1 . 2]" 1
822 1 60 GLU HG2 1 61 ILE H . . 4.760 3.663 2.682 4.757 . 0 0 "[ . 1 . 2]" 1
823 1 60 GLU HG3 1 61 ILE H . . 4.760 3.420 2.465 4.593 . 0 0 "[ . 1 . 2]" 1
824 1 61 ILE H 1 61 ILE HB . . 3.100 2.476 2.397 2.602 . 0 0 "[ . 1 . 2]" 1
825 1 61 ILE H 1 61 ILE MD . . 4.350 3.427 3.261 3.817 . 0 0 "[ . 1 . 2]" 1
826 1 61 ILE H 1 61 ILE HG12 . . 4.090 2.607 2.167 2.772 . 0 0 "[ . 1 . 2]" 1
827 1 61 ILE H 1 61 ILE QG . . 3.420 2.573 2.151 2.724 . 0 0 "[ . 1 . 2]" 1
828 1 61 ILE H 1 61 ILE HG13 . . 4.090 3.972 3.613 4.070 . 0 0 "[ . 1 . 2]" 1
829 1 61 ILE H 1 61 ILE MG . . 4.210 3.773 3.738 3.834 . 0 0 "[ . 1 . 2]" 1
830 1 61 ILE H 1 62 LEU H . . 5.480 4.292 4.024 4.425 . 0 0 "[ . 1 . 2]" 1
831 1 61 ILE HA 1 61 ILE MD . . 3.550 1.991 1.934 2.107 . 0 0 "[ . 1 . 2]" 1
832 1 61 ILE HA 1 61 ILE MG . . 3.460 2.388 2.231 2.445 . 0 0 "[ . 1 . 2]" 1
833 1 61 ILE HA 1 62 LEU H . . 3.130 2.160 2.139 2.221 . 0 0 "[ . 1 . 2]" 1
834 1 61 ILE HA 1 62 LEU HG . . 4.780 3.778 3.579 3.961 . 0 0 "[ . 1 . 2]" 1
835 1 61 ILE HA 1 63 VAL H . . 4.340 3.774 3.670 3.874 . 0 0 "[ . 1 . 2]" 1
836 1 61 ILE MD 1 62 LEU H . . 5.240 3.627 3.444 3.902 . 0 0 "[ . 1 . 2]" 1
837 1 61 ILE MD 1 64 ALA HA . . 4.910 4.846 4.562 4.910 . 0 0 "[ . 1 . 2]" 1
838 1 61 ILE QG 1 61 ILE MG . . 3.150 2.195 2.093 2.338 . 0 0 "[ . 1 . 2]" 1
839 1 61 ILE MG 1 62 LEU H . . 3.580 2.890 2.592 3.374 . 0 0 "[ . 1 . 2]" 1
840 1 61 ILE MG 1 62 LEU HA . . 4.630 3.992 3.787 4.162 . 0 0 "[ . 1 . 2]" 1
841 1 61 ILE MG 1 63 VAL H . . 3.730 2.720 2.572 3.246 . 0 0 "[ . 1 . 2]" 1
842 1 61 ILE MG 1 64 ALA H . . 4.150 3.648 3.481 3.987 . 0 0 "[ . 1 . 2]" 1
843 1 61 ILE MG 1 64 ALA HA . . 3.200 2.564 2.336 2.856 . 0 0 "[ . 1 . 2]" 1
844 1 61 ILE MG 1 64 ALA MB . . 3.490 3.321 3.111 3.472 . 0 0 "[ . 1 . 2]" 1
845 1 61 ILE MG 1 65 LEU H . . 4.270 3.538 3.215 3.963 . 0 0 "[ . 1 . 2]" 1
846 1 62 LEU H 1 62 LEU HB2 . . 3.740 2.625 2.538 2.701 . 0 0 "[ . 1 . 2]" 1
847 1 62 LEU H 1 62 LEU MD2 . . 4.550 3.425 3.106 3.805 . 0 0 "[ . 1 . 2]" 1
848 1 62 LEU H 1 62 LEU HG . . 3.850 2.195 2.017 2.409 . 0 0 "[ . 1 . 2]" 1
849 1 62 LEU H 1 63 VAL H . . 3.200 2.363 2.204 2.522 . 0 0 "[ . 1 . 2]" 1
850 1 62 LEU HA 1 62 LEU MD1 . . 4.520 3.955 3.901 4.007 . 0 0 "[ . 1 . 2]" 1
851 1 62 LEU HA 1 62 LEU MD2 . . 3.070 2.334 2.023 2.664 . 0 0 "[ . 1 . 2]" 1
852 1 62 LEU HB2 1 62 LEU MD1 . . 3.460 2.175 1.990 2.361 . 0 0 "[ . 1 . 2]" 1
853 1 62 LEU HB2 1 63 VAL H . . 3.490 2.590 2.579 2.623 . 0 0 "[ . 1 . 2]" 1
854 1 62 LEU HB2 1 63 VAL MG2 . . 4.100 2.873 2.590 3.130 . 0 0 "[ . 1 . 2]" 1
855 1 62 LEU HB3 1 62 LEU MD1 . . 3.230 2.497 2.319 2.688 . 0 0 "[ . 1 . 2]" 1
856 1 62 LEU HB3 1 62 LEU MD2 . . 3.310 2.221 2.015 2.350 . 0 0 "[ . 1 . 2]" 1
857 1 62 LEU HB3 1 63 VAL H . . 4.080 3.811 3.742 3.865 . 0 0 "[ . 1 . 2]" 1
858 1 62 LEU HB3 1 63 VAL MG2 . . 4.070 3.478 3.222 3.650 . 0 0 "[ . 1 . 2]" 1
859 1 62 LEU HG 1 63 VAL H . . 4.540 4.044 3.916 4.245 . 0 0 "[ . 1 . 2]" 1
860 1 63 VAL H 1 63 VAL HB . . 3.670 2.558 2.499 2.657 . 0 0 "[ . 1 . 2]" 1
861 1 63 VAL H 1 63 VAL MG2 . . 3.980 2.879 2.650 3.027 . 0 0 "[ . 1 . 2]" 1
862 1 63 VAL H 1 64 ALA H . . 4.730 4.203 4.170 4.326 . 0 0 "[ . 1 . 2]" 1
863 1 63 VAL HA 1 63 VAL MG1 . . 3.340 2.411 2.333 2.531 . 0 0 "[ . 1 . 2]" 1
864 1 63 VAL HA 1 63 VAL MG2 . . 3.570 2.300 2.150 2.411 . 0 0 "[ . 1 . 2]" 1
865 1 63 VAL HA 1 64 ALA H . . 2.800 2.149 2.141 2.154 . 0 0 "[ . 1 . 2]" 1
866 1 63 VAL HA 1 64 ALA MB . . 4.370 3.977 3.923 4.017 . 0 0 "[ . 1 . 2]" 1
867 1 63 VAL MG1 1 64 ALA H . . 3.560 2.865 2.629 3.044 . 0 0 "[ . 1 . 2]" 1
868 1 63 VAL MG1 1 64 ALA MB . . 4.710 3.833 3.684 3.939 . 0 0 "[ . 1 . 2]" 1
869 1 64 ALA H 1 64 ALA MB . . 3.010 2.142 2.059 2.228 . 0 0 "[ . 1 . 2]" 1
870 1 64 ALA HA 1 65 LEU H . . 2.990 2.150 2.142 2.179 . 0 0 "[ . 1 . 2]" 1
871 1 64 ALA MB 1 65 LEU H . . 3.360 3.148 3.013 3.235 . 0 0 "[ . 1 . 2]" 1
872 1 64 ALA MB 1 65 LEU MD1 . . 5.500 5.248 5.089 5.348 . 0 0 "[ . 1 . 2]" 1
873 1 65 LEU H 1 65 LEU HB2 . . 3.200 2.367 2.250 2.557 . 0 0 "[ . 1 . 2]" 1
874 1 65 LEU H 1 65 LEU HB3 . . 3.730 3.565 3.531 3.593 . 0 0 "[ . 1 . 2]" 1
875 1 65 LEU H 1 65 LEU MD1 . . 4.400 3.300 3.160 3.432 . 0 0 "[ . 1 . 2]" 1
876 1 65 LEU H 1 65 LEU MD2 . . 4.550 3.844 3.539 4.054 . 0 0 "[ . 1 . 2]" 1
877 1 65 LEU H 1 65 LEU HG . . 3.870 2.533 2.136 2.819 . 0 0 "[ . 1 . 2]" 1
878 1 65 LEU HA 1 65 LEU MD1 . . 4.440 3.853 3.798 3.917 . 0 0 "[ . 1 . 2]" 1
879 1 65 LEU HA 1 65 LEU MD2 . . 3.250 2.376 2.210 2.573 . 0 0 "[ . 1 . 2]" 1
880 1 65 LEU HA 1 65 LEU HG . . 3.990 2.674 2.512 2.885 . 0 0 "[ . 1 . 2]" 1
881 1 65 LEU HA 1 66 PRO HD2 . . 3.280 2.416 2.346 2.488 . 0 0 "[ . 1 . 2]" 1
882 1 65 LEU HA 1 66 PRO HD3 . . 3.280 2.307 2.281 2.338 . 0 0 "[ . 1 . 2]" 1
883 1 65 LEU HB2 1 65 LEU MD1 . . 3.650 2.085 1.988 2.238 . 0 0 "[ . 1 . 2]" 1
884 1 65 LEU HB2 1 66 PRO HD2 . . 4.770 3.668 3.603 3.742 . 0 0 "[ . 1 . 2]" 1
885 1 65 LEU HB2 1 66 PRO QD . . 4.000 3.549 3.492 3.614 . 0 0 "[ . 1 . 2]" 1
886 1 65 LEU HB2 1 66 PRO HD3 . . 4.770 4.724 4.683 4.770 . 0 0 "[ . 1 . 2]" 1
887 1 65 LEU HB3 1 65 LEU MD1 . . 3.630 2.618 2.530 2.683 . 0 0 "[ . 1 . 2]" 1
888 1 65 LEU HB3 1 65 LEU MD2 . . 3.240 2.150 2.028 2.260 . 0 0 "[ . 1 . 2]" 1
889 1 65 LEU HB3 1 66 PRO HD2 . . 4.040 2.081 2.002 2.198 . 0 0 "[ . 1 . 2]" 1
890 1 65 LEU HB3 1 66 PRO QD . . 3.410 2.066 1.989 2.180 . 0 0 "[ . 1 . 2]" 1
891 1 65 LEU HB3 1 66 PRO HD3 . . 4.040 3.513 3.443 3.608 . 0 0 "[ . 1 . 2]" 1
892 1 65 LEU MD2 1 66 PRO HD2 . . 3.900 2.038 1.828 2.374 . 0 0 "[ . 1 . 2]" 1
893 1 65 LEU MD2 1 66 PRO QD . . 3.330 1.999 1.791 2.308 . 0 0 "[ . 1 . 2]" 1
894 1 65 LEU MD2 1 66 PRO HD3 . . 3.900 2.903 2.552 3.306 . 0 0 "[ . 1 . 2]" 1
895 1 69 GLY QA 1 70 PRO QD . . 3.250 1.983 1.909 2.116 . 0 0 "[ . 1 . 2]" 1
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