NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
588600 |
2myy   |
25464 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2myy
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 773
_Distance_constraint_stats_list.Viol_count 634
_Distance_constraint_stats_list.Viol_total 149.592
_Distance_constraint_stats_list.Viol_max 0.259
_Distance_constraint_stats_list.Viol_rms 0.0069
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0118
_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 10 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ASN 0.005 0.005 9 0 "[ . 1 . 2]"
1 12 PRO 0.005 0.005 9 0 "[ . 1 . 2]"
1 13 PHE 0.006 0.005 12 0 "[ . 1 . 2]"
1 14 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ASP 0.009 0.009 7 0 "[ . 1 . 2]"
1 16 GLU 0.140 0.034 4 0 "[ . 1 . 2]"
1 17 ASP 0.200 0.034 4 0 "[ . 1 . 2]"
1 18 GLY 0.192 0.013 5 0 "[ . 1 . 2]"
1 19 MET 0.143 0.012 1 0 "[ . 1 . 2]"
1 20 PHE 0.302 0.014 4 0 "[ . 1 . 2]"
1 21 PHE 0.244 0.013 7 0 "[ . 1 . 2]"
1 22 VAL 0.349 0.040 8 0 "[ . 1 . 2]"
1 23 LEU 0.529 0.023 18 0 "[ . 1 . 2]"
1 24 ILE 0.182 0.018 9 0 "[ . 1 . 2]"
1 25 ASN 0.315 0.033 20 0 "[ . 1 . 2]"
1 26 ASP 0.284 0.033 20 0 "[ . 1 . 2]"
1 27 GLU 0.270 0.033 2 0 "[ . 1 . 2]"
1 28 GLU 0.212 0.020 20 0 "[ . 1 . 2]"
1 29 GLN 0.149 0.030 13 0 "[ . 1 . 2]"
1 30 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 SER 0.226 0.022 14 0 "[ . 1 . 2]"
1 32 LEU 0.344 0.022 14 0 "[ . 1 . 2]"
1 33 TRP 0.130 0.013 7 0 "[ . 1 . 2]"
1 34 PRO 0.139 0.014 4 0 "[ . 1 . 2]"
1 35 THR 0.172 0.010 18 0 "[ . 1 . 2]"
1 36 PHE 2.698 0.259 6 0 "[ . 1 . 2]"
1 37 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ASP 0.063 0.017 14 0 "[ . 1 . 2]"
1 39 VAL 0.097 0.017 14 0 "[ . 1 . 2]"
1 40 PRO 0.015 0.004 3 0 "[ . 1 . 2]"
1 41 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 GLY 0.007 0.003 11 0 "[ . 1 . 2]"
1 43 TRP 0.034 0.011 13 0 "[ . 1 . 2]"
1 44 ARG 0.261 0.018 9 0 "[ . 1 . 2]"
1 45 VAL 0.451 0.023 18 0 "[ . 1 . 2]"
1 46 VAL 0.034 0.013 11 0 "[ . 1 . 2]"
1 47 PHE 0.045 0.011 16 0 "[ . 1 . 2]"
1 48 GLY 0.010 0.005 16 0 "[ . 1 . 2]"
1 49 GLU 0.051 0.015 14 0 "[ . 1 . 2]"
1 50 ALA 0.056 0.011 16 0 "[ . 1 . 2]"
1 51 SER 0.094 0.012 1 0 "[ . 1 . 2]"
1 52 ARG 0.315 0.107 1 0 "[ . 1 . 2]"
1 53 ALA 0.145 0.013 4 0 "[ . 1 . 2]"
1 54 SER 0.033 0.010 1 0 "[ . 1 . 2]"
1 55 CYS 0.190 0.016 11 0 "[ . 1 . 2]"
1 56 VAL 0.291 0.019 16 0 "[ . 1 . 2]"
1 57 GLU 0.058 0.013 8 0 "[ . 1 . 2]"
1 58 TYR 0.204 0.040 8 0 "[ . 1 . 2]"
1 59 VAL 0.193 0.017 15 0 "[ . 1 . 2]"
1 60 ASP 0.000 0.000 20 0 "[ . 1 . 2]"
1 61 GLN 0.037 0.013 8 0 "[ . 1 . 2]"
1 62 HIS 0.013 0.013 19 0 "[ . 1 . 2]"
1 63 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 THR 0.239 0.067 7 0 "[ . 1 . 2]"
1 65 ASP 0.018 0.013 14 0 "[ . 1 . 2]"
1 66 ILE 0.188 0.076 2 0 "[ . 1 . 2]"
1 67 ARG 0.213 0.076 2 0 "[ . 1 . 2]"
1 68 PRO 0.187 0.018 4 0 "[ . 1 . 2]"
1 69 LYS 0.183 0.041 1 0 "[ . 1 . 2]"
1 75 LEU 0.124 0.035 19 0 "[ . 1 . 2]"
1 76 ALA 0.124 0.035 19 0 "[ . 1 . 2]"
1 77 SER 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 31 SER H 1 32 LEU HA 4.940 . 4.940 4.633 4.447 4.761 . 0 0 "[ . 1 . 2]" 1
2 1 31 SER H 1 32 LEU HB2 5.330 . 5.330 5.329 5.239 5.352 0.022 14 0 "[ . 1 . 2]" 1
3 1 32 LEU HB2 1 33 TRP H 4.840 . 4.840 4.386 4.183 4.599 . 0 0 "[ . 1 . 2]" 1
4 1 32 LEU HB3 1 33 TRP H 5.100 . 5.100 3.986 3.563 4.272 . 0 0 "[ . 1 . 2]" 1
5 1 20 PHE HD2 1 32 LEU HB3 5.500 . 5.500 5.229 4.606 5.507 0.007 8 0 "[ . 1 . 2]" 1
6 1 20 PHE HE2 1 32 LEU MD1 5.500 . 5.500 4.948 4.239 5.358 . 0 0 "[ . 1 . 2]" 1
7 1 32 LEU HA 1 32 LEU MD1 4.270 . 4.270 2.830 1.983 3.808 . 0 0 "[ . 1 . 2]" 1
8 1 32 LEU MD1 1 55 CYS HB2 4.390 . 4.390 2.674 2.236 2.973 . 0 0 "[ . 1 . 2]" 1
9 1 32 LEU MD1 1 55 CYS HB3 4.390 . 4.390 2.153 1.847 2.704 . 0 0 "[ . 1 . 2]" 1
10 1 32 LEU HB3 1 32 LEU MD1 3.370 . 3.370 2.827 2.321 3.211 . 0 0 "[ . 1 . 2]" 1
11 1 22 VAL QG 1 32 LEU MD1 3.830 . 3.830 2.481 1.791 3.499 0.009 8 0 "[ . 1 . 2]" 1
12 1 32 LEU HA 1 32 LEU MD2 4.270 . 4.270 3.073 1.963 3.922 . 0 0 "[ . 1 . 2]" 1
13 1 20 PHE HE2 1 32 LEU MD2 5.500 . 5.500 4.155 3.464 5.086 . 0 0 "[ . 1 . 2]" 1
14 1 32 LEU MD2 1 55 CYS HB3 4.390 . 4.390 2.572 1.902 3.254 . 0 0 "[ . 1 . 2]" 1
15 1 32 LEU HB3 1 32 LEU MD2 3.370 . 3.370 2.380 2.305 2.499 . 0 0 "[ . 1 . 2]" 1
16 1 10 ASP HB3 1 11 ASN H 4.850 . 4.850 3.496 2.384 4.367 . 0 0 "[ . 1 . 2]" 1
17 1 11 ASN HA 1 12 PRO HD2 3.530 . 3.530 2.393 2.034 2.671 . 0 0 "[ . 1 . 2]" 1
18 1 11 ASN HA 1 12 PRO HD3 3.530 . 3.530 2.373 2.054 2.652 . 0 0 "[ . 1 . 2]" 1
19 1 11 ASN HA 1 12 PRO HG2 4.930 . 4.930 4.513 4.241 4.777 . 0 0 "[ . 1 . 2]" 1
20 1 11 ASN HA 1 12 PRO HG3 4.930 . 4.930 4.506 4.294 4.744 . 0 0 "[ . 1 . 2]" 1
21 1 14 ASP H 1 14 ASP HB2 4.170 . 4.170 2.977 2.382 3.719 . 0 0 "[ . 1 . 2]" 1
22 1 15 ASP H 1 15 ASP HB2 4.150 . 4.150 2.543 2.230 3.639 . 0 0 "[ . 1 . 2]" 1
23 1 15 ASP H 1 15 ASP HB3 4.150 . 4.150 3.024 2.409 3.642 . 0 0 "[ . 1 . 2]" 1
24 1 16 GLU HA 1 16 GLU HG2 3.930 . 3.930 3.617 2.499 3.836 . 0 0 "[ . 1 . 2]" 1
25 1 16 GLU H 1 16 GLU HB2 3.970 . 3.970 3.504 2.543 3.821 . 0 0 "[ . 1 . 2]" 1
26 1 16 GLU H 1 16 GLU HB3 3.970 . 3.970 2.924 2.501 3.624 . 0 0 "[ . 1 . 2]" 1
27 1 16 GLU H 1 16 GLU HG2 4.310 . 4.310 2.192 1.843 3.468 . 0 0 "[ . 1 . 2]" 1
28 1 16 GLU H 1 16 GLU HG3 4.310 . 4.310 3.017 2.127 3.549 . 0 0 "[ . 1 . 2]" 1
29 1 16 GLU HG3 1 17 ASP H 4.930 . 4.930 3.065 2.312 4.940 0.010 2 0 "[ . 1 . 2]" 1
30 1 16 GLU HA 1 16 GLU HG3 3.930 . 3.930 3.710 3.151 3.848 . 0 0 "[ . 1 . 2]" 1
31 1 17 ASP H 1 17 ASP HB2 3.640 . 3.640 2.770 2.402 3.645 0.005 3 0 "[ . 1 . 2]" 1
32 1 18 GLY HA3 1 19 MET H 3.570 . 3.570 2.992 2.636 3.255 . 0 0 "[ . 1 . 2]" 1
33 1 18 GLY HA3 1 20 PHE HE1 4.980 . 4.980 2.789 2.557 3.211 . 0 0 "[ . 1 . 2]" 1
34 1 18 GLY HA2 1 20 PHE HE1 4.980 . 4.980 4.323 3.975 4.893 . 0 0 "[ . 1 . 2]" 1
35 1 19 MET HB3 1 35 THR MG 4.360 . 4.360 3.796 3.583 4.092 . 0 0 "[ . 1 . 2]" 1
36 1 20 PHE HB2 1 52 ARG HA 4.870 . 4.870 4.142 3.573 4.746 . 0 0 "[ . 1 . 2]" 1
37 1 21 PHE HB3 1 45 VAL QG . . 3.570 2.866 2.584 3.251 . 0 0 "[ . 1 . 2]" 1
38 1 21 PHE HA 1 21 PHE QD 3.760 . 3.760 3.523 3.381 3.581 . 0 0 "[ . 1 . 2]" 1
39 1 21 PHE HA 1 45 VAL QG 5.180 . 5.180 4.004 3.782 4.345 . 0 0 "[ . 1 . 2]" 1
40 1 22 VAL HB 1 47 PHE HD2 4.550 . 4.550 3.945 3.286 4.339 . 0 0 "[ . 1 . 2]" 1
41 1 22 VAL QG 1 55 CYS H 4.890 . 4.890 4.433 4.335 4.616 . 0 0 "[ . 1 . 2]" 1
42 1 22 VAL QG 1 59 VAL H 5.040 . 5.040 3.109 3.015 3.226 . 0 0 "[ . 1 . 2]" 1
43 1 22 VAL QG 1 47 PHE HD2 3.930 . 3.930 3.386 2.267 3.788 . 0 0 "[ . 1 . 2]" 1
44 1 22 VAL QG 1 58 TYR QD . . 3.060 2.015 1.760 2.604 0.040 8 0 "[ . 1 . 2]" 1
45 1 21 PHE HA 1 22 VAL QG 4.640 . 4.640 3.376 3.309 3.469 . 0 0 "[ . 1 . 2]" 1
46 1 22 VAL QG 1 32 LEU HA 4.380 . 4.380 3.104 2.747 3.301 . 0 0 "[ . 1 . 2]" 1
47 1 22 VAL QG 1 55 CYS HA 3.520 . 3.520 2.386 2.248 2.610 . 0 0 "[ . 1 . 2]" 1
48 1 22 VAL QG 1 55 CYS HB2 3.650 . 3.650 3.604 3.504 3.628 . 0 0 "[ . 1 . 2]" 1
49 1 22 VAL QG 1 58 TYR HB2 4.380 . 4.380 3.762 3.572 4.018 . 0 0 "[ . 1 . 2]" 1
50 1 21 PHE HB2 1 22 VAL QG 4.960 . 4.960 4.566 4.443 4.679 . 0 0 "[ . 1 . 2]" 1
51 1 22 VAL QG 1 55 CYS HB3 3.650 . 3.650 2.246 2.140 2.295 . 0 0 "[ . 1 . 2]" 1
52 1 22 VAL QG 1 47 PHE HB2 4.250 . 4.250 3.114 2.935 3.298 . 0 0 "[ . 1 . 2]" 1
53 1 22 VAL QG 1 32 LEU MD2 3.830 . 3.830 3.115 2.167 3.726 . 0 0 "[ . 1 . 2]" 1
54 1 21 PHE QD 1 23 LEU HA 5.500 . 5.500 5.222 4.926 5.453 . 0 0 "[ . 1 . 2]" 1
55 1 23 LEU HA 1 43 TRP HE3 5.500 . 5.500 4.842 4.473 5.272 . 0 0 "[ . 1 . 2]" 1
56 1 23 LEU HA 1 46 VAL QG . . 4.230 2.569 2.376 2.754 . 0 0 "[ . 1 . 2]" 1
57 1 23 LEU HB2 1 43 TRP HE3 4.620 . 4.620 2.876 2.385 3.668 . 0 0 "[ . 1 . 2]" 1
58 1 23 LEU HB3 1 24 ILE H 5.270 . 5.270 2.360 2.247 2.624 . 0 0 "[ . 1 . 2]" 1
59 1 23 LEU HB2 1 24 ILE H 5.270 . 5.270 3.424 3.279 3.605 . 0 0 "[ . 1 . 2]" 1
60 1 23 LEU HB3 1 43 TRP HE3 4.620 . 4.620 3.053 2.596 3.628 . 0 0 "[ . 1 . 2]" 1
61 1 23 LEU H 1 23 LEU MD1 4.910 . 4.910 3.472 2.374 3.960 . 0 0 "[ . 1 . 2]" 1
62 1 21 PHE QD 1 23 LEU MD1 4.390 . 4.390 2.798 1.796 3.332 0.004 13 0 "[ . 1 . 2]" 1
63 1 23 LEU MD1 1 33 TRP HB2 4.640 . 4.640 2.103 1.971 2.298 . 0 0 "[ . 1 . 2]" 1
64 1 23 LEU MD2 1 24 ILE H 5.150 . 5.150 3.792 3.573 4.175 . 0 0 "[ . 1 . 2]" 1
65 1 21 PHE QD 1 23 LEU MD2 4.390 . 4.390 2.359 1.904 3.448 . 0 0 "[ . 1 . 2]" 1
66 1 23 LEU MD2 1 33 TRP HB2 4.640 . 4.640 3.398 2.416 3.820 . 0 0 "[ . 1 . 2]" 1
67 1 24 ILE HB 1 44 ARG HG2 5.000 . 5.000 4.650 4.449 5.007 0.007 17 0 "[ . 1 . 2]" 1
68 1 24 ILE H 1 24 ILE MD 5.030 . 5.030 4.855 4.798 4.906 . 0 0 "[ . 1 . 2]" 1
69 1 24 ILE MD 1 25 ASN H 4.390 . 4.390 4.022 3.609 4.396 0.006 4 0 "[ . 1 . 2]" 1
70 1 24 ILE HA 1 24 ILE MD 4.310 . 4.310 3.807 3.787 3.829 . 0 0 "[ . 1 . 2]" 1
71 1 24 ILE MD 1 28 GLU HA 3.690 . 3.690 1.901 1.796 2.267 0.004 13 0 "[ . 1 . 2]" 1
72 1 24 ILE HB 1 24 ILE MD 3.440 . 3.440 2.481 2.437 2.538 . 0 0 "[ . 1 . 2]" 1
73 1 24 ILE H 1 24 ILE MG 4.140 . 4.140 2.471 2.382 2.584 . 0 0 "[ . 1 . 2]" 1
74 1 24 ILE MG 1 44 ARG H 5.090 . 5.090 3.195 2.879 3.424 . 0 0 "[ . 1 . 2]" 1
75 1 24 ILE MG 1 46 VAL HB 4.800 . 4.800 4.071 4.000 4.163 . 0 0 "[ . 1 . 2]" 1
76 1 24 ILE MG 1 44 ARG HG3 4.420 . 4.420 2.189 1.936 2.349 . 0 0 "[ . 1 . 2]" 1
77 1 24 ILE MG 1 44 ARG HG2 4.690 . 4.690 2.077 1.949 2.295 . 0 0 "[ . 1 . 2]" 1
78 1 24 ILE HA 1 43 TRP HZ3 4.530 . 4.530 3.462 3.174 3.951 . 0 0 "[ . 1 . 2]" 1
79 1 24 ILE HA 1 43 TRP HE3 4.610 . 4.610 3.138 2.800 3.437 . 0 0 "[ . 1 . 2]" 1
80 1 24 ILE HA 1 30 HIS HA 4.060 . 4.060 2.613 2.254 3.177 . 0 0 "[ . 1 . 2]" 1
81 1 24 ILE HA 1 24 ILE HG13 4.050 . 4.050 2.476 2.430 2.535 . 0 0 "[ . 1 . 2]" 1
82 1 24 ILE HA 1 24 ILE HG12 4.050 . 4.050 2.888 2.770 2.980 . 0 0 "[ . 1 . 2]" 1
83 1 26 ASP HB3 1 27 GLU H 4.820 . 4.820 3.561 2.845 4.149 . 0 0 "[ . 1 . 2]" 1
84 1 26 ASP HB2 1 27 GLU H 4.820 . 4.820 3.490 2.513 4.189 . 0 0 "[ . 1 . 2]" 1
85 1 24 ILE HG13 1 28 GLU HA 4.420 . 4.420 3.145 2.892 3.434 . 0 0 "[ . 1 . 2]" 1
86 1 24 ILE HG12 1 28 GLU HA 4.420 . 4.420 2.857 2.320 3.183 . 0 0 "[ . 1 . 2]" 1
87 1 24 ILE HB 1 28 GLU HA 5.500 . 5.500 5.179 4.892 5.411 . 0 0 "[ . 1 . 2]" 1
88 1 28 GLU HA 1 28 GLU HG2 4.250 . 4.250 2.823 2.340 3.264 . 0 0 "[ . 1 . 2]" 1
89 1 28 GLU HA 1 28 GLU HG3 4.250 . 4.250 3.493 2.943 3.792 . 0 0 "[ . 1 . 2]" 1
90 1 29 GLN HB2 1 43 TRP HH2 4.980 . 4.980 3.572 3.129 4.766 . 0 0 "[ . 1 . 2]" 1
91 1 29 GLN HB3 1 43 TRP HH2 4.980 . 4.980 2.672 2.123 4.193 . 0 0 "[ . 1 . 2]" 1
92 1 25 ASN HB3 1 29 GLN HB3 4.090 . 4.090 3.231 1.813 3.958 . 0 0 "[ . 1 . 2]" 1
93 1 25 ASN HB3 1 29 GLN HB2 4.090 . 4.090 2.021 1.791 3.046 0.009 18 0 "[ . 1 . 2]" 1
94 1 23 LEU MD2 1 33 TRP HB3 4.640 . 4.640 3.355 3.045 3.604 . 0 0 "[ . 1 . 2]" 1
95 1 21 PHE HB2 1 33 TRP HB2 5.500 . 5.500 5.489 5.358 5.513 0.013 7 0 "[ . 1 . 2]" 1
96 1 21 PHE HB2 1 33 TRP HB3 5.500 . 5.500 4.552 4.376 4.717 . 0 0 "[ . 1 . 2]" 1
97 1 23 LEU MD1 1 33 TRP HB3 4.640 . 4.640 2.549 2.072 2.768 . 0 0 "[ . 1 . 2]" 1
98 1 20 PHE HB3 1 34 PRO HA 4.850 . 4.850 2.693 2.311 3.574 . 0 0 "[ . 1 . 2]" 1
99 1 20 PHE HA 1 34 PRO HA 3.670 . 3.670 2.642 2.402 2.805 . 0 0 "[ . 1 . 2]" 1
100 1 20 PHE HD1 1 34 PRO HA 3.960 . 3.960 1.844 1.786 2.057 0.014 4 0 "[ . 1 . 2]" 1
101 1 20 PHE HE1 1 34 PRO HB2 4.370 . 4.370 3.714 3.422 4.159 . 0 0 "[ . 1 . 2]" 1
102 1 20 PHE HE1 1 34 PRO HB3 4.370 . 4.370 3.173 2.576 3.457 . 0 0 "[ . 1 . 2]" 1
103 1 33 TRP HA 1 34 PRO HG2 5.020 . 5.020 4.484 4.393 4.560 . 0 0 "[ . 1 . 2]" 1
104 1 20 PHE HE1 1 34 PRO HG3 5.500 . 5.500 5.292 4.659 5.503 0.003 17 0 "[ . 1 . 2]" 1
105 1 33 TRP HA 1 34 PRO HD3 4.020 . 4.020 2.167 2.064 2.236 . 0 0 "[ . 1 . 2]" 1
106 1 33 TRP HA 1 34 PRO HD2 3.580 . 3.580 2.388 2.243 2.552 . 0 0 "[ . 1 . 2]" 1
107 1 33 TRP HD1 1 34 PRO HD2 4.880 . 4.880 3.559 3.061 3.915 . 0 0 "[ . 1 . 2]" 1
108 1 21 PHE QE 1 35 THR HB 4.410 . 4.410 3.682 3.507 3.816 . 0 0 "[ . 1 . 2]" 1
109 1 35 THR HA 1 35 THR MG 3.410 . 3.410 2.288 2.254 2.320 . 0 0 "[ . 1 . 2]" 1
110 1 21 PHE QE 1 35 THR HA 3.670 . 3.670 2.009 1.796 2.243 0.004 7 0 "[ . 1 . 2]" 1
111 1 21 PHE QD 1 35 THR HA 4.440 . 4.440 4.176 3.949 4.347 . 0 0 "[ . 1 . 2]" 1
112 1 35 THR H 1 35 THR MG 3.290 . 3.290 2.428 2.271 2.584 . 0 0 "[ . 1 . 2]" 1
113 1 21 PHE QE 1 35 THR MG 3.810 . 3.810 1.876 1.795 2.146 0.005 2 0 "[ . 1 . 2]" 1
114 1 35 THR MG 1 49 GLU H 4.870 . 4.870 4.610 4.331 4.819 . 0 0 "[ . 1 . 2]" 1
115 1 20 PHE H 1 35 THR MG 4.640 . 4.640 4.468 4.283 4.645 0.005 20 0 "[ . 1 . 2]" 1
116 1 21 PHE H 1 35 THR MG 4.210 . 4.210 4.161 4.042 4.215 0.005 2 0 "[ . 1 . 2]" 1
117 1 20 PHE HA 1 35 THR MG 3.700 . 3.700 2.938 2.745 3.345 . 0 0 "[ . 1 . 2]" 1
118 1 34 PRO HA 1 35 THR MG 4.070 . 4.070 3.908 3.717 4.074 0.004 15 0 "[ . 1 . 2]" 1
119 1 35 THR MG 1 49 GLU HA 4.060 . 4.060 3.717 3.481 3.922 . 0 0 "[ . 1 . 2]" 1
120 1 21 PHE QD 1 35 THR MG 3.920 . 3.920 2.925 2.737 3.046 . 0 0 "[ . 1 . 2]" 1
121 1 35 THR MG 1 49 GLU HG2 4.580 . 4.580 3.359 2.061 4.148 . 0 0 "[ . 1 . 2]" 1
122 1 19 MET HB2 1 35 THR MG 3.770 . 3.770 2.848 2.606 3.016 . 0 0 "[ . 1 . 2]" 1
123 1 35 THR MG 1 49 GLU HB2 4.020 . 4.020 2.859 2.513 3.988 . 0 0 "[ . 1 . 2]" 1
124 1 35 THR MG 1 49 GLU HB3 4.020 . 4.020 2.404 2.029 2.794 . 0 0 "[ . 1 . 2]" 1
125 1 37 ALA MB 1 38 ASP H 3.990 . 3.990 2.475 2.165 2.737 . 0 0 "[ . 1 . 2]" 1
126 1 33 TRP HZ2 1 37 ALA MB 4.010 . 4.010 2.960 2.682 3.449 . 0 0 "[ . 1 . 2]" 1
127 1 34 PRO HD2 1 37 ALA MB 4.260 . 4.260 2.702 2.314 3.169 . 0 0 "[ . 1 . 2]" 1
128 1 34 PRO HG2 1 37 ALA MB 3.560 . 3.560 2.458 2.131 2.999 . 0 0 "[ . 1 . 2]" 1
129 1 38 ASP H 1 38 ASP HB2 3.760 . 3.760 2.600 2.271 3.682 . 0 0 "[ . 1 . 2]" 1
130 1 38 ASP HA 1 39 VAL HB 4.840 . 4.840 4.803 4.720 4.845 0.005 3 0 "[ . 1 . 2]" 1
131 1 39 VAL HA 1 40 PRO QD . . 3.260 1.960 1.935 1.991 . 0 0 "[ . 1 . 2]" 1
132 1 39 VAL H 1 39 VAL MG2 3.820 . 3.820 2.035 1.924 2.182 . 0 0 "[ . 1 . 2]" 1
133 1 39 VAL HA 1 39 VAL MG2 3.400 . 3.400 2.413 2.383 2.434 . 0 0 "[ . 1 . 2]" 1
134 1 39 VAL MG2 1 40 PRO QD . . 3.840 3.494 3.348 3.580 . 0 0 "[ . 1 . 2]" 1
135 1 39 VAL MG2 1 45 VAL QG 3.680 . 3.680 2.264 1.959 2.611 . 0 0 "[ . 1 . 2]" 1
136 1 39 VAL HA 1 39 VAL MG1 3.400 . 3.400 2.415 2.385 2.439 . 0 0 "[ . 1 . 2]" 1
137 1 39 VAL MG1 1 40 PRO QD 3.840 . 3.840 2.306 2.040 2.505 . 0 0 "[ . 1 . 2]" 1
138 1 40 PRO HA 1 41 ALA MB 4.050 . 4.050 4.005 3.980 4.019 . 0 0 "[ . 1 . 2]" 1
139 1 40 PRO HB3 1 41 ALA H 4.170 . 4.170 3.957 3.774 4.080 . 0 0 "[ . 1 . 2]" 1
140 1 40 PRO HB3 1 43 TRP HD1 4.520 . 4.520 4.221 3.977 4.450 . 0 0 "[ . 1 . 2]" 1
141 1 39 VAL HA 1 40 PRO HG2 5.200 . 5.200 4.287 4.227 4.352 . 0 0 "[ . 1 . 2]" 1
142 1 39 VAL HA 1 40 PRO HG3 5.500 . 5.500 4.406 4.388 4.428 . 0 0 "[ . 1 . 2]" 1
143 1 21 PHE QE 1 40 PRO QD 5.500 . 5.500 4.353 3.865 4.616 . 0 0 "[ . 1 . 2]" 1
144 1 33 TRP HZ2 1 40 PRO QD . . 5.060 3.348 3.072 3.705 . 0 0 "[ . 1 . 2]" 1
145 1 33 TRP HE1 1 40 PRO QD . . 4.100 3.132 2.806 3.380 . 0 0 "[ . 1 . 2]" 1
146 1 41 ALA MB 1 42 GLY H 3.640 . 3.640 3.063 3.037 3.098 . 0 0 "[ . 1 . 2]" 1
147 1 42 GLY HA3 1 43 TRP HD1 5.100 . 5.100 3.567 3.274 3.759 . 0 0 "[ . 1 . 2]" 1
148 1 42 GLY HA2 1 43 TRP HD1 5.100 . 5.100 4.927 4.639 5.103 0.003 11 0 "[ . 1 . 2]" 1
149 1 43 TRP HB2 1 44 ARG H 4.630 . 4.630 4.188 3.778 4.458 . 0 0 "[ . 1 . 2]" 1
150 1 43 TRP HB3 1 44 ARG H 4.630 . 4.630 3.297 2.663 3.854 . 0 0 "[ . 1 . 2]" 1
151 1 44 ARG HB2 1 45 VAL H 3.590 . 3.590 2.907 2.722 3.174 . 0 0 "[ . 1 . 2]" 1
152 1 24 ILE H 1 44 ARG HB2 5.500 . 5.500 5.156 5.031 5.299 . 0 0 "[ . 1 . 2]" 1
153 1 44 ARG HB2 1 46 VAL QG 4.800 . 4.800 4.587 4.461 4.729 . 0 0 "[ . 1 . 2]" 1
154 1 24 ILE MG 1 44 ARG HB2 4.360 . 4.360 4.180 4.052 4.332 . 0 0 "[ . 1 . 2]" 1
155 1 24 ILE MG 1 44 ARG HB3 4.640 . 4.640 4.111 3.965 4.244 . 0 0 "[ . 1 . 2]" 1
156 1 44 ARG H 1 44 ARG HG2 4.280 . 4.280 2.255 1.946 2.732 . 0 0 "[ . 1 . 2]" 1
157 1 44 ARG HG2 1 45 VAL H 5.120 . 5.120 4.816 4.626 4.972 . 0 0 "[ . 1 . 2]" 1
158 1 44 ARG HA 1 44 ARG HG3 4.130 . 4.130 3.765 3.611 3.933 . 0 0 "[ . 1 . 2]" 1
159 1 44 ARG HA 1 44 ARG HG2 4.190 . 4.190 3.796 3.645 3.992 . 0 0 "[ . 1 . 2]" 1
160 1 24 ILE MD 1 44 ARG HG2 4.610 . 4.610 4.618 4.610 4.628 0.018 9 0 "[ . 1 . 2]" 1
161 1 44 ARG H 1 44 ARG HD2 5.500 . 5.500 4.640 4.067 5.030 . 0 0 "[ . 1 . 2]" 1
162 1 44 ARG H 1 44 ARG HD3 5.500 . 5.500 4.682 4.125 5.114 . 0 0 "[ . 1 . 2]" 1
163 1 44 ARG HD2 1 46 VAL QG 5.500 . 5.500 4.242 3.406 5.133 . 0 0 "[ . 1 . 2]" 1
164 1 44 ARG HD3 1 46 VAL QG 5.500 . 5.500 4.387 3.195 5.131 . 0 0 "[ . 1 . 2]" 1
165 1 45 VAL HA 1 47 PHE H 4.000 . 4.000 3.632 3.536 3.769 . 0 0 "[ . 1 . 2]" 1
166 1 24 ILE H 1 45 VAL HA 4.580 . 4.580 3.998 3.817 4.090 . 0 0 "[ . 1 . 2]" 1
167 1 23 LEU HA 1 45 VAL HA 3.590 . 3.590 2.300 2.098 2.391 . 0 0 "[ . 1 . 2]" 1
168 1 23 LEU HG 1 45 VAL HA 4.130 . 4.130 3.637 2.007 4.153 0.023 18 0 "[ . 1 . 2]" 1
169 1 45 VAL HA 1 46 VAL QG 4.050 . 4.050 3.339 3.243 3.414 . 0 0 "[ . 1 . 2]" 1
170 1 44 ARG HA 1 45 VAL HB 4.810 . 4.810 4.792 4.678 4.819 0.009 5 0 "[ . 1 . 2]" 1
171 1 45 VAL QG 1 46 VAL H 3.380 . 3.380 2.839 2.559 2.981 . 0 0 "[ . 1 . 2]" 1
172 1 22 VAL H 1 45 VAL QG 3.980 . 3.980 3.407 3.220 3.707 . 0 0 "[ . 1 . 2]" 1
173 1 45 VAL H 1 45 VAL QG . . 2.900 2.086 1.991 2.211 . 0 0 "[ . 1 . 2]" 1
174 1 45 VAL QG 1 47 PHE H 3.190 . 3.190 2.651 2.593 2.735 . 0 0 "[ . 1 . 2]" 1
175 1 21 PHE QD 1 45 VAL QG 3.730 . 3.730 2.831 2.396 3.186 . 0 0 "[ . 1 . 2]" 1
176 1 23 LEU HA 1 45 VAL QG 3.880 . 3.880 3.526 3.300 3.573 . 0 0 "[ . 1 . 2]" 1
177 1 45 VAL QG 1 46 VAL HA 4.040 . 4.040 3.851 3.528 3.963 . 0 0 "[ . 1 . 2]" 1
178 1 45 VAL QG 1 47 PHE HA 4.690 . 4.690 3.792 3.664 3.940 . 0 0 "[ . 1 . 2]" 1
179 1 45 VAL HA 1 45 VAL QG . . 3.210 2.143 2.128 2.158 . 0 0 "[ . 1 . 2]" 1
180 1 21 PHE HB2 1 45 VAL QG 3.980 . 3.980 2.136 1.879 2.503 . 0 0 "[ . 1 . 2]" 1
181 1 21 PHE QE 1 45 VAL QG 4.590 . 4.590 3.839 3.411 4.160 . 0 0 "[ . 1 . 2]" 1
182 1 44 ARG HA 1 45 VAL QG 3.880 . 3.880 3.410 3.325 3.574 . 0 0 "[ . 1 . 2]" 1
183 1 39 VAL MG1 1 45 VAL QG 3.680 . 3.680 2.514 2.271 2.935 . 0 0 "[ . 1 . 2]" 1
184 1 25 ASN H 1 46 VAL QG 5.500 . 5.500 5.143 4.942 5.319 . 0 0 "[ . 1 . 2]" 1
185 1 46 VAL QG 1 58 TYR QD 5.500 . 5.500 3.102 2.674 3.393 . 0 0 "[ . 1 . 2]" 1
186 1 46 VAL HA 1 46 VAL QG 3.170 . 3.170 2.422 2.377 2.446 . 0 0 "[ . 1 . 2]" 1
187 1 22 VAL HB 1 46 VAL QG . . 3.540 2.316 2.168 2.451 . 0 0 "[ . 1 . 2]" 1
188 1 24 ILE HB 1 46 VAL QG 3.820 . 3.820 2.009 1.855 2.324 . 0 0 "[ . 1 . 2]" 1
189 1 44 ARG HG3 1 46 VAL QG 4.350 . 4.350 2.796 2.536 3.245 . 0 0 "[ . 1 . 2]" 1
190 1 44 ARG HG2 1 46 VAL QG 3.880 . 3.880 3.698 3.401 3.852 . 0 0 "[ . 1 . 2]" 1
191 1 24 ILE MG 1 46 VAL QG 3.020 . 3.020 1.964 1.914 2.009 . 0 0 "[ . 1 . 2]" 1
192 1 46 VAL H 1 46 VAL QG . . 3.260 1.989 1.931 2.113 . 0 0 "[ . 1 . 2]" 1
193 1 46 VAL QG 1 47 PHE H 3.680 . 3.680 2.178 2.042 2.270 . 0 0 "[ . 1 . 2]" 1
194 1 46 VAL QG 1 58 TYR QE 3.610 . 3.610 1.899 1.792 2.112 0.008 4 0 "[ . 1 . 2]" 1
195 1 47 PHE HA 1 48 GLY H 3.280 . 3.280 2.171 2.150 2.200 . 0 0 "[ . 1 . 2]" 1
196 1 47 PHE HA 1 47 PHE HD1 3.820 . 3.820 2.827 2.012 3.402 . 0 0 "[ . 1 . 2]" 1
197 1 47 PHE HA 1 48 GLY HA2 5.130 . 5.130 4.396 4.364 4.444 . 0 0 "[ . 1 . 2]" 1
198 1 47 PHE HA 1 48 GLY HA3 5.490 . 5.490 4.401 4.383 4.420 . 0 0 "[ . 1 . 2]" 1
199 1 22 VAL QG 1 47 PHE HB3 4.250 . 4.250 2.394 2.206 2.518 . 0 0 "[ . 1 . 2]" 1
200 1 21 PHE QD 1 48 GLY HA2 4.440 . 4.440 4.167 3.915 4.316 . 0 0 "[ . 1 . 2]" 1
201 1 47 PHE HD1 1 48 GLY HA3 4.700 . 4.700 3.854 3.603 4.402 . 0 0 "[ . 1 . 2]" 1
202 1 21 PHE HA 1 48 GLY HA2 4.170 . 4.170 4.084 3.865 4.175 0.005 16 0 "[ . 1 . 2]" 1
203 1 48 GLY HA2 1 49 GLU HA 4.420 . 4.420 4.276 4.230 4.312 . 0 0 "[ . 1 . 2]" 1
204 1 21 PHE QE 1 49 GLU HA 4.640 . 4.640 4.507 4.049 4.592 . 0 0 "[ . 1 . 2]" 1
205 1 21 PHE QD 1 49 GLU HA 4.030 . 4.030 2.405 2.102 2.490 . 0 0 "[ . 1 . 2]" 1
206 1 21 PHE HA 1 49 GLU HA 4.440 . 4.440 2.960 2.691 3.455 . 0 0 "[ . 1 . 2]" 1
207 1 49 GLU HB3 1 50 ALA H 4.520 . 4.520 4.053 3.468 4.309 . 0 0 "[ . 1 . 2]" 1
208 1 21 PHE QE 1 49 GLU HB2 5.070 . 5.070 4.557 4.169 5.054 . 0 0 "[ . 1 . 2]" 1
209 1 21 PHE QE 1 49 GLU HB3 5.070 . 5.070 3.215 2.910 4.284 . 0 0 "[ . 1 . 2]" 1
210 1 49 GLU H 1 49 GLU HG2 3.700 . 3.700 2.801 1.811 3.704 0.004 2 0 "[ . 1 . 2]" 1
211 1 35 THR MG 1 49 GLU HG3 4.580 . 4.580 3.719 2.361 4.342 . 0 0 "[ . 1 . 2]" 1
212 1 47 PHE HD1 1 50 ALA MB 3.930 . 3.930 3.139 2.600 3.941 0.011 16 0 "[ . 1 . 2]" 1
213 1 50 ALA MB 1 54 SER HB3 3.640 . 3.640 3.285 2.303 3.650 0.010 1 0 "[ . 1 . 2]" 1
214 1 50 ALA MB 1 54 SER HB2 3.640 . 3.640 2.724 2.307 3.648 0.008 3 0 "[ . 1 . 2]" 1
215 1 51 SER HB3 1 52 ARG H 4.370 . 4.370 3.680 2.806 4.005 . 0 0 "[ . 1 . 2]" 1
216 1 20 PHE HD2 1 52 ARG HA 4.140 . 4.140 2.872 2.455 3.379 . 0 0 "[ . 1 . 2]" 1
217 1 52 ARG HA 1 56 VAL H 4.940 . 4.940 4.039 3.956 4.122 . 0 0 "[ . 1 . 2]" 1
218 1 52 ARG HA 1 52 ARG HG2 3.970 . 3.970 3.420 2.312 3.941 . 0 0 "[ . 1 . 2]" 1
219 1 52 ARG HA 1 52 ARG HG3 3.970 . 3.970 3.277 3.007 3.701 . 0 0 "[ . 1 . 2]" 1
220 1 20 PHE HE2 1 52 ARG HB2 4.420 . 4.420 2.818 2.051 3.606 . 0 0 "[ . 1 . 2]" 1
221 1 52 ARG HB2 1 52 ARG HD2 3.840 . 3.840 3.283 2.936 3.800 . 0 0 "[ . 1 . 2]" 1
222 1 52 ARG HB2 1 52 ARG HD3 3.840 . 3.840 2.855 2.318 3.947 0.107 1 0 "[ . 1 . 2]" 1
223 1 20 PHE HE2 1 52 ARG HD2 4.580 . 4.580 3.647 2.779 4.587 0.007 1 0 "[ . 1 . 2]" 1
224 1 20 PHE HE2 1 52 ARG HD3 4.580 . 4.580 2.744 1.806 4.586 0.006 13 0 "[ . 1 . 2]" 1
225 1 53 ALA HA 1 57 GLU H 4.740 . 4.740 3.989 3.816 4.128 . 0 0 "[ . 1 . 2]" 1
226 1 53 ALA HA 1 56 VAL HB 3.300 . 3.300 2.779 2.714 2.869 . 0 0 "[ . 1 . 2]" 1
227 1 52 ARG HB3 1 53 ALA HA 4.630 . 4.630 4.202 4.060 4.451 . 0 0 "[ . 1 . 2]" 1
228 1 53 ALA HA 1 56 VAL MG2 3.530 . 3.530 3.205 3.031 3.379 . 0 0 "[ . 1 . 2]" 1
229 1 53 ALA MB 1 54 SER HA 4.250 . 4.250 3.834 3.793 3.892 . 0 0 "[ . 1 . 2]" 1
230 1 53 ALA MB 1 56 VAL HB 4.310 . 4.310 4.221 4.143 4.264 . 0 0 "[ . 1 . 2]" 1
231 1 54 SER H 1 54 SER HB2 3.800 . 3.800 2.699 2.454 3.589 . 0 0 "[ . 1 . 2]" 1
232 1 51 SER H 1 54 SER HB3 5.230 . 5.230 4.752 3.157 5.231 0.001 19 0 "[ . 1 . 2]" 1
233 1 51 SER H 1 54 SER HB2 5.230 . 5.230 3.783 3.225 5.153 . 0 0 "[ . 1 . 2]" 1
234 1 54 SER HA 1 56 VAL H 4.900 . 4.900 4.608 4.519 4.759 . 0 0 "[ . 1 . 2]" 1
235 1 52 ARG HA 1 55 CYS HB3 4.510 . 4.510 4.382 3.990 4.524 0.014 8 0 "[ . 1 . 2]" 1
236 1 52 ARG HA 1 55 CYS HB2 4.510 . 4.510 2.872 2.601 2.986 . 0 0 "[ . 1 . 2]" 1
237 1 55 CYS HB3 1 56 VAL MG2 4.970 . 4.970 4.247 4.109 4.414 . 0 0 "[ . 1 . 2]" 1
238 1 32 LEU MD2 1 55 CYS HB2 4.390 . 4.390 2.909 2.619 3.176 . 0 0 "[ . 1 . 2]" 1
239 1 55 CYS HB2 1 56 VAL MG2 4.970 . 4.970 3.114 2.987 3.295 . 0 0 "[ . 1 . 2]" 1
240 1 47 PHE HD2 1 55 CYS HA 4.820 . 4.820 4.177 2.487 4.825 0.005 3 0 "[ . 1 . 2]" 1
241 1 55 CYS HA 1 58 TYR QD 5.100 . 5.100 4.694 4.333 4.888 . 0 0 "[ . 1 . 2]" 1
242 1 55 CYS HA 1 58 TYR HB2 4.130 . 4.130 3.752 3.210 4.136 0.006 10 0 "[ . 1 . 2]" 1
243 1 55 CYS HA 1 58 TYR HB3 4.130 . 4.130 3.068 2.815 3.249 . 0 0 "[ . 1 . 2]" 1
244 1 56 VAL HA 1 59 VAL H 4.250 . 4.250 3.589 3.279 3.925 . 0 0 "[ . 1 . 2]" 1
245 1 53 ALA HA 1 56 VAL HA 5.500 . 5.500 5.506 5.486 5.513 0.013 4 0 "[ . 1 . 2]" 1
246 1 56 VAL HA 1 59 VAL HB 3.550 . 3.550 2.702 2.299 3.123 . 0 0 "[ . 1 . 2]" 1
247 1 56 VAL HA 1 59 VAL QG 3.780 . 3.780 3.003 2.743 3.345 . 0 0 "[ . 1 . 2]" 1
248 1 56 VAL HA 1 56 VAL MG2 2.950 . 2.950 2.358 2.317 2.402 . 0 0 "[ . 1 . 2]" 1
249 1 32 LEU MD2 1 56 VAL HA 5.500 . 5.500 4.496 3.558 5.433 . 0 0 "[ . 1 . 2]" 1
250 1 32 LEU MD1 1 56 VAL HA 5.500 . 5.500 3.999 2.703 5.191 . 0 0 "[ . 1 . 2]" 1
251 1 56 VAL HB 1 57 GLU H 3.750 . 3.750 2.626 2.498 2.795 . 0 0 "[ . 1 . 2]" 1
252 1 55 CYS H 1 56 VAL MG2 4.630 . 4.630 4.263 4.094 4.482 . 0 0 "[ . 1 . 2]" 1
253 1 56 VAL MG1 1 57 GLU H 4.050 . 4.050 3.378 3.207 3.536 . 0 0 "[ . 1 . 2]" 1
254 1 56 VAL H 1 56 VAL MG1 3.770 . 3.770 3.773 3.764 3.778 0.008 9 0 "[ . 1 . 2]" 1
255 1 56 VAL MG1 1 57 GLU HA 3.680 . 3.680 3.391 3.240 3.548 . 0 0 "[ . 1 . 2]" 1
256 1 56 VAL HA 1 56 VAL MG1 3.180 . 3.180 2.454 2.418 2.496 . 0 0 "[ . 1 . 2]" 1
257 1 57 GLU HA 1 60 ASP HB2 3.730 . 3.730 3.402 2.744 3.730 0.000 20 0 "[ . 1 . 2]" 1
258 1 57 GLU HA 1 60 ASP HB3 3.730 . 3.730 2.782 2.144 3.462 . 0 0 "[ . 1 . 2]" 1
259 1 57 GLU HA 1 57 GLU HG3 3.730 . 3.730 2.660 2.447 3.061 . 0 0 "[ . 1 . 2]" 1
260 1 57 GLU HA 1 57 GLU HG2 3.730 . 3.730 3.271 2.916 3.743 0.013 12 0 "[ . 1 . 2]" 1
261 1 58 TYR HA 1 58 TYR QD 3.980 . 3.980 2.885 2.640 3.047 . 0 0 "[ . 1 . 2]" 1
262 1 58 TYR HB3 1 59 VAL H 4.570 . 4.570 2.418 2.223 2.650 . 0 0 "[ . 1 . 2]" 1
263 1 58 TYR H 1 58 TYR HB3 3.850 . 3.850 2.601 2.425 2.735 . 0 0 "[ . 1 . 2]" 1
264 1 58 TYR HB2 1 59 VAL H 4.570 . 4.570 3.752 3.517 3.877 . 0 0 "[ . 1 . 2]" 1
265 1 22 VAL QG 1 58 TYR HB3 4.380 . 4.380 2.513 2.282 2.788 . 0 0 "[ . 1 . 2]" 1
266 1 58 TYR QD 1 59 VAL HA 4.460 . 4.460 3.300 2.949 3.608 . 0 0 "[ . 1 . 2]" 1
267 1 59 VAL H 1 59 VAL HB 3.690 . 3.690 2.577 2.495 2.646 . 0 0 "[ . 1 . 2]" 1
268 1 59 VAL H 1 59 VAL QG 3.540 . 3.540 2.032 1.933 2.184 . 0 0 "[ . 1 . 2]" 1
269 1 58 TYR H 1 59 VAL QG 4.560 . 4.560 4.103 4.017 4.188 . 0 0 "[ . 1 . 2]" 1
270 1 58 TYR QD 1 59 VAL QG 3.680 . 3.680 3.167 2.661 3.594 . 0 0 "[ . 1 . 2]" 1
271 1 59 VAL QG 1 60 ASP HA 4.560 . 4.560 3.350 3.087 3.537 . 0 0 "[ . 1 . 2]" 1
272 1 60 ASP HB3 1 61 GLN H 4.160 . 4.160 2.579 2.207 2.957 . 0 0 "[ . 1 . 2]" 1
273 1 60 ASP HB2 1 61 GLN H 4.160 . 4.160 3.878 3.680 4.079 . 0 0 "[ . 1 . 2]" 1
274 1 61 GLN HA 1 61 GLN HG3 3.820 . 3.820 3.599 2.966 3.811 . 0 0 "[ . 1 . 2]" 1
275 1 61 GLN H 1 61 GLN HB3 3.990 . 3.990 3.397 2.525 3.682 . 0 0 "[ . 1 . 2]" 1
276 1 61 GLN H 1 61 GLN HG2 4.090 . 4.090 2.527 2.132 3.461 . 0 0 "[ . 1 . 2]" 1
277 1 61 GLN H 1 61 GLN HG3 4.090 . 4.090 3.237 2.054 3.908 . 0 0 "[ . 1 . 2]" 1
278 1 61 GLN HA 1 61 GLN HG2 3.820 . 3.820 3.074 2.491 3.773 . 0 0 "[ . 1 . 2]" 1
279 1 64 THR H 1 64 THR MG 3.900 . 3.900 2.758 1.798 3.829 0.002 7 0 "[ . 1 . 2]" 1
280 1 64 THR HA 1 64 THR MG 3.080 . 3.080 2.484 2.252 3.147 0.067 7 0 "[ . 1 . 2]" 1
281 1 66 ILE HA 1 66 ILE HG12 4.060 . 4.060 2.788 2.516 4.093 0.033 17 0 "[ . 1 . 2]" 1
282 1 66 ILE HA 1 66 ILE HG13 4.060 . 4.060 3.189 2.568 3.801 . 0 0 "[ . 1 . 2]" 1
283 1 66 ILE HA 1 66 ILE MG 3.460 . 3.460 2.384 2.157 2.449 . 0 0 "[ . 1 . 2]" 1
284 1 66 ILE HA 1 66 ILE MD 4.160 . 4.160 3.567 2.033 3.921 . 0 0 "[ . 1 . 2]" 1
285 1 66 ILE H 1 66 ILE HG13 4.430 . 4.430 2.843 1.812 4.431 0.001 9 0 "[ . 1 . 2]" 1
286 1 66 ILE HB 1 66 ILE MD 3.640 . 3.640 2.557 2.285 3.249 . 0 0 "[ . 1 . 2]" 1
287 1 27 GLU HA 1 68 PRO HD2 4.410 . 4.410 4.114 2.040 4.425 0.015 4 0 "[ . 1 . 2]" 1
288 1 27 GLU HA 1 68 PRO HD3 3.410 . 3.410 3.042 2.193 3.422 0.012 11 0 "[ . 1 . 2]" 1
289 1 76 ALA MB 1 77 SER H 4.390 . 4.390 3.113 2.033 3.693 . 0 0 "[ . 1 . 2]" 1
290 1 19 MET ME 1 51 SER H 3.870 . 3.870 2.966 2.474 3.446 . 0 0 "[ . 1 . 2]" 1
291 1 19 MET ME 1 50 ALA H 4.470 . 4.470 3.665 3.225 3.849 . 0 0 "[ . 1 . 2]" 1
292 1 19 MET H 1 19 MET ME 5.070 . 5.070 4.835 4.636 4.969 . 0 0 "[ . 1 . 2]" 1
293 1 19 MET ME 1 50 ALA HA 3.290 . 3.290 2.118 1.843 2.523 . 0 0 "[ . 1 . 2]" 1
294 1 75 LEU HB3 1 76 ALA H 4.170 . 4.170 3.594 1.914 4.176 0.006 6 0 "[ . 1 . 2]" 1
295 1 75 LEU HB2 1 76 ALA H 4.170 . 4.170 3.766 1.841 4.180 0.010 8 0 "[ . 1 . 2]" 1
296 1 75 LEU HA 1 75 LEU MD1 4.700 . 4.700 2.825 1.996 4.151 . 0 0 "[ . 1 . 2]" 1
297 1 75 LEU HA 1 75 LEU MD2 4.700 . 4.700 3.402 1.946 4.082 . 0 0 "[ . 1 . 2]" 1
298 1 75 LEU HA 1 75 LEU HG 4.060 . 4.060 3.244 2.516 3.798 . 0 0 "[ . 1 . 2]" 1
299 1 21 PHE QD 1 23 LEU HG 4.630 . 4.630 3.148 2.843 3.749 . 0 0 "[ . 1 . 2]" 1
300 1 75 LEU HG 1 76 ALA H 4.230 . 4.230 3.607 2.575 4.244 0.014 14 0 "[ . 1 . 2]" 1
301 1 22 VAL QG 1 47 PHE H 4.440 . 4.440 3.698 3.585 3.842 . 0 0 "[ . 1 . 2]" 1
302 1 22 VAL QG 1 30 HIS HA 4.710 . 4.710 3.930 3.414 4.145 . 0 0 "[ . 1 . 2]" 1
303 1 22 VAL QG 1 23 LEU HA 4.700 . 4.700 3.832 3.725 3.995 . 0 0 "[ . 1 . 2]" 1
304 1 22 VAL QG 1 59 VAL HA 4.770 . 4.770 3.155 2.599 3.414 . 0 0 "[ . 1 . 2]" 1
305 1 22 VAL QG 1 46 VAL HB 5.470 . 5.470 4.602 4.335 4.995 . 0 0 "[ . 1 . 2]" 1
306 1 22 VAL QG 1 32 LEU HB2 4.650 . 4.650 3.587 3.075 4.088 . 0 0 "[ . 1 . 2]" 1
307 1 22 VAL QG 1 23 LEU H 3.630 . 3.630 2.621 2.516 2.733 . 0 0 "[ . 1 . 2]" 1
308 1 22 VAL QG 1 31 SER H 4.260 . 4.260 3.003 2.461 3.304 . 0 0 "[ . 1 . 2]" 1
309 1 22 VAL H 1 22 VAL QG . . 3.580 2.467 2.384 2.544 . 0 0 "[ . 1 . 2]" 1
310 1 30 HIS HA 1 59 VAL QG 5.500 . 5.500 4.383 3.707 5.066 . 0 0 "[ . 1 . 2]" 1
311 1 24 ILE MD 1 30 HIS HA 5.180 . 5.180 4.474 4.097 5.143 . 0 0 "[ . 1 . 2]" 1
312 1 30 HIS HA 1 43 TRP HZ3 5.000 . 5.000 3.637 2.745 4.404 . 0 0 "[ . 1 . 2]" 1
313 1 22 VAL QG 1 30 HIS HB3 5.500 . 5.500 3.973 2.814 4.726 . 0 0 "[ . 1 . 2]" 1
314 1 30 HIS HB3 1 59 VAL QG 5.500 . 5.500 3.515 2.272 4.194 . 0 0 "[ . 1 . 2]" 1
315 1 22 VAL QG 1 30 HIS HB2 5.500 . 5.500 3.589 2.905 4.788 . 0 0 "[ . 1 . 2]" 1
316 1 30 HIS HB2 1 59 VAL QG 5.500 . 5.500 2.672 1.897 4.130 . 0 0 "[ . 1 . 2]" 1
317 1 29 GLN H 1 29 GLN HG2 4.710 . 4.710 3.698 2.421 4.538 . 0 0 "[ . 1 . 2]" 1
318 1 29 GLN H 1 29 GLN HG3 4.710 . 4.710 3.159 2.335 4.676 . 0 0 "[ . 1 . 2]" 1
319 1 69 LYS HB2 1 69 LYS HE2 5.500 . 5.500 4.274 2.368 5.504 0.004 15 0 "[ . 1 . 2]" 1
320 1 69 LYS HB2 1 69 LYS HE3 5.500 . 5.500 4.001 1.982 5.509 0.009 19 0 "[ . 1 . 2]" 1
321 1 69 LYS HB3 1 69 LYS HE2 5.500 . 5.500 4.439 2.953 5.511 0.011 17 0 "[ . 1 . 2]" 1
322 1 69 LYS HB3 1 69 LYS HE3 5.500 . 5.500 4.186 2.120 5.508 0.008 14 0 "[ . 1 . 2]" 1
323 1 69 LYS HA 1 69 LYS HD2 4.430 . 4.430 3.089 1.916 4.471 0.041 1 0 "[ . 1 . 2]" 1
324 1 69 LYS HA 1 69 LYS HD3 4.430 . 4.430 3.357 2.037 4.468 0.038 4 0 "[ . 1 . 2]" 1
325 1 25 ASN HB2 1 26 ASP H 4.330 . 4.330 3.947 3.739 4.168 . 0 0 "[ . 1 . 2]" 1
326 1 25 ASN HB3 1 43 TRP HE3 5.160 . 5.160 4.674 4.205 5.112 . 0 0 "[ . 1 . 2]" 1
327 1 25 ASN HB2 1 43 TRP HE3 4.860 . 4.860 3.467 3.061 3.897 . 0 0 "[ . 1 . 2]" 1
328 1 40 PRO HG2 1 43 TRP HD1 3.870 . 3.870 2.711 2.335 3.054 . 0 0 "[ . 1 . 2]" 1
329 1 40 PRO HB2 1 43 TRP HD1 3.540 . 3.540 2.524 2.248 2.772 . 0 0 "[ . 1 . 2]" 1
330 1 40 PRO QD 1 43 TRP HD1 5.260 . 5.260 4.527 4.136 4.841 . 0 0 "[ . 1 . 2]" 1
331 1 33 TRP HZ2 1 40 PRO HB3 4.380 . 4.380 4.072 3.497 4.341 . 0 0 "[ . 1 . 2]" 1
332 1 33 TRP HZ2 1 40 PRO HG3 4.260 . 4.260 4.187 3.831 4.264 0.004 3 0 "[ . 1 . 2]" 1
333 1 47 PHE HD2 1 58 TYR QE 4.920 . 4.920 3.984 3.418 4.516 . 0 0 "[ . 1 . 2]" 1
334 1 22 VAL HB 1 58 TYR QE 4.650 . 4.650 4.003 3.538 4.266 . 0 0 "[ . 1 . 2]" 1
335 1 22 VAL HB 1 58 TYR QD 3.500 . 3.500 3.329 2.952 3.491 . 0 0 "[ . 1 . 2]" 1
336 1 47 PHE HD2 1 58 TYR QD 4.250 . 4.250 3.065 2.642 3.323 . 0 0 "[ . 1 . 2]" 1
337 1 21 PHE QE 1 34 PRO HA 5.240 . 5.240 4.714 4.502 4.887 . 0 0 "[ . 1 . 2]" 1
338 1 20 PHE HD2 1 52 ARG HB2 4.100 . 4.100 3.738 3.176 4.103 0.003 9 0 "[ . 1 . 2]" 1
339 1 36 PHE HA 1 36 PHE HD1 4.550 . 4.550 2.576 2.299 2.813 . 0 0 "[ . 1 . 2]" 1
340 1 36 PHE HA 1 36 PHE HD2 5.010 . 5.010 4.469 4.327 4.585 . 0 0 "[ . 1 . 2]" 1
341 1 10 ASP HA 1 11 ASN H 3.550 . 3.550 2.347 2.129 3.547 . 0 0 "[ . 1 . 2]" 1
342 1 10 ASP HB2 1 11 ASN H 4.850 . 4.850 4.075 2.645 4.517 . 0 0 "[ . 1 . 2]" 1
343 1 13 PHE H 1 13 PHE QD 4.340 . 4.340 2.791 1.799 3.535 0.001 19 0 "[ . 1 . 2]" 1
344 1 13 PHE H 1 13 PHE HB2 3.980 . 3.980 3.152 2.516 3.792 . 0 0 "[ . 1 . 2]" 1
345 1 13 PHE H 1 13 PHE HB3 3.980 . 3.980 3.346 2.678 3.784 . 0 0 "[ . 1 . 2]" 1
346 1 14 ASP H 1 14 ASP HB3 4.170 . 4.170 2.882 2.481 3.684 . 0 0 "[ . 1 . 2]" 1
347 1 15 ASP H 1 16 GLU H 4.980 . 4.980 4.535 4.283 4.645 . 0 0 "[ . 1 . 2]" 1
348 1 15 ASP HA 1 16 GLU H 3.410 . 3.410 2.374 2.150 2.900 . 0 0 "[ . 1 . 2]" 1
349 1 15 ASP HA 1 17 ASP H 4.570 . 4.570 4.026 3.258 4.579 0.009 7 0 "[ . 1 . 2]" 1
350 1 16 GLU HA 1 17 ASP H 3.560 . 3.560 3.419 3.149 3.522 . 0 0 "[ . 1 . 2]" 1
351 1 17 ASP H 1 17 ASP HB3 3.640 . 3.640 2.918 2.422 3.639 . 0 0 "[ . 1 . 2]" 1
352 1 16 GLU HB2 1 17 ASP H 4.220 . 4.220 3.882 2.722 4.245 0.025 4 0 "[ . 1 . 2]" 1
353 1 16 GLU HB3 1 17 ASP H 4.220 . 4.220 4.151 3.895 4.254 0.034 4 0 "[ . 1 . 2]" 1
354 1 16 GLU HG2 1 17 ASP H 4.930 . 4.930 3.289 2.615 4.940 0.010 6 0 "[ . 1 . 2]" 1
355 1 17 ASP HB3 1 18 GLY H 4.140 . 4.140 3.613 3.009 4.144 0.004 13 0 "[ . 1 . 2]" 1
356 1 17 ASP HB2 1 18 GLY H 4.140 . 4.140 3.786 3.059 4.149 0.009 18 0 "[ . 1 . 2]" 1
357 1 16 GLU HA 1 18 GLY H 4.780 . 4.780 3.945 3.489 4.446 . 0 0 "[ . 1 . 2]" 1
358 1 17 ASP HA 1 18 GLY H 3.570 . 3.570 3.439 3.371 3.468 . 0 0 "[ . 1 . 2]" 1
359 1 18 GLY H 1 20 PHE HE1 4.530 . 4.530 4.477 3.586 4.543 0.013 5 0 "[ . 1 . 2]" 1
360 1 17 ASP H 1 18 GLY H 3.240 . 3.240 2.423 2.236 2.611 . 0 0 "[ . 1 . 2]" 1
361 1 19 MET H 1 19 MET HB3 3.820 . 3.820 3.671 3.623 3.749 . 0 0 "[ . 1 . 2]" 1
362 1 19 MET H 1 19 MET HB2 3.470 . 3.470 2.594 2.512 2.665 . 0 0 "[ . 1 . 2]" 1
363 1 19 MET H 1 19 MET HG3 3.930 . 3.930 2.891 2.202 3.729 . 0 0 "[ . 1 . 2]" 1
364 1 19 MET H 1 19 MET HG2 3.930 . 3.930 3.019 2.098 3.779 . 0 0 "[ . 1 . 2]" 1
365 1 18 GLY HA2 1 19 MET H 3.570 . 3.570 2.252 2.157 2.504 . 0 0 "[ . 1 . 2]" 1
366 1 19 MET H 1 20 PHE H 4.660 . 4.660 4.487 4.411 4.584 . 0 0 "[ . 1 . 2]" 1
367 1 18 GLY H 1 19 MET H 4.700 . 4.700 4.576 4.482 4.633 . 0 0 "[ . 1 . 2]" 1
368 1 19 MET HB3 1 20 PHE H 4.030 . 4.030 3.278 2.926 3.358 . 0 0 "[ . 1 . 2]" 1
369 1 19 MET HB2 1 20 PHE H 4.520 . 4.520 4.108 3.910 4.174 . 0 0 "[ . 1 . 2]" 1
370 1 20 PHE H 1 20 PHE HB2 3.810 . 3.810 2.880 2.723 3.000 . 0 0 "[ . 1 . 2]" 1
371 1 19 MET HA 1 20 PHE H 3.210 . 3.210 2.181 2.152 2.271 . 0 0 "[ . 1 . 2]" 1
372 1 20 PHE H 1 20 PHE HD2 4.160 . 4.160 3.821 3.490 4.158 . 0 0 "[ . 1 . 2]" 1
373 1 20 PHE H 1 20 PHE HD1 4.570 . 4.570 4.038 3.840 4.191 . 0 0 "[ . 1 . 2]" 1
374 1 21 PHE H 1 21 PHE HB2 3.640 . 3.640 3.531 3.457 3.581 . 0 0 "[ . 1 . 2]" 1
375 1 20 PHE HB3 1 21 PHE H 3.510 . 3.510 2.715 2.414 2.909 . 0 0 "[ . 1 . 2]" 1
376 1 20 PHE HB2 1 21 PHE H 3.800 . 3.800 3.505 3.307 3.735 . 0 0 "[ . 1 . 2]" 1
377 1 21 PHE H 1 21 PHE HB3 4.020 . 4.020 3.483 3.402 3.610 . 0 0 "[ . 1 . 2]" 1
378 1 21 PHE H 1 34 PRO HA 4.470 . 4.470 3.709 3.390 3.843 . 0 0 "[ . 1 . 2]" 1
379 1 20 PHE HA 1 21 PHE H 3.120 . 3.120 2.358 2.291 2.466 . 0 0 "[ . 1 . 2]" 1
380 1 20 PHE HD1 1 21 PHE H 4.600 . 4.600 4.435 4.164 4.606 0.006 17 0 "[ . 1 . 2]" 1
381 1 21 PHE H 1 21 PHE QD 4.730 . 4.730 2.913 2.758 3.059 . 0 0 "[ . 1 . 2]" 1
382 1 21 PHE H 1 33 TRP H 3.960 . 3.960 3.329 3.065 3.529 . 0 0 "[ . 1 . 2]" 1
383 1 22 VAL H 1 46 VAL QG 5.500 . 5.500 3.705 3.638 3.759 . 0 0 "[ . 1 . 2]" 1
384 1 22 VAL H 1 22 VAL HB 3.470 . 3.470 2.608 2.560 2.701 . 0 0 "[ . 1 . 2]" 1
385 1 21 PHE HB2 1 22 VAL H 3.940 . 3.940 2.851 2.667 3.034 . 0 0 "[ . 1 . 2]" 1
386 1 21 PHE HB3 1 22 VAL H 3.710 . 3.710 3.459 3.265 3.609 . 0 0 "[ . 1 . 2]" 1
387 1 21 PHE HA 1 22 VAL H 3.040 . 3.040 2.296 2.234 2.357 . 0 0 "[ . 1 . 2]" 1
388 1 22 VAL H 1 23 LEU H 4.940 . 4.940 4.407 4.323 4.466 . 0 0 "[ . 1 . 2]" 1
389 1 23 LEU H 1 31 SER H 3.850 . 3.850 3.090 2.800 3.340 . 0 0 "[ . 1 . 2]" 1
390 1 23 LEU H 1 32 LEU HA 4.480 . 4.480 3.232 2.856 3.611 . 0 0 "[ . 1 . 2]" 1
391 1 23 LEU H 1 23 LEU HG 4.280 . 4.280 2.927 2.408 4.028 . 0 0 "[ . 1 . 2]" 1
392 1 23 LEU H 1 23 LEU MD2 4.910 . 4.910 3.674 3.388 4.262 . 0 0 "[ . 1 . 2]" 1
393 1 23 LEU HA 1 24 ILE H 3.380 . 3.380 2.450 2.356 2.524 . 0 0 "[ . 1 . 2]" 1
394 1 24 ILE H 1 43 TRP HE3 4.830 . 4.830 3.487 3.098 4.037 . 0 0 "[ . 1 . 2]" 1
395 1 23 LEU HG 1 24 ILE H 5.120 . 5.120 4.692 3.935 5.035 . 0 0 "[ . 1 . 2]" 1
396 1 24 ILE H 1 44 ARG HB3 5.500 . 5.500 5.068 4.955 5.185 . 0 0 "[ . 1 . 2]" 1
397 1 24 ILE H 1 44 ARG HG2 4.770 . 4.770 3.396 3.063 4.051 . 0 0 "[ . 1 . 2]" 1
398 1 24 ILE H 1 44 ARG HG3 4.450 . 4.450 3.646 3.221 4.021 . 0 0 "[ . 1 . 2]" 1
399 1 24 ILE H 1 46 VAL QG 4.430 . 4.430 2.868 2.575 3.066 . 0 0 "[ . 1 . 2]" 1
400 1 23 LEU MD1 1 24 ILE H 5.150 . 5.150 4.459 4.301 4.639 . 0 0 "[ . 1 . 2]" 1
401 1 25 ASN H 1 43 TRP HZ3 4.910 . 4.910 3.405 2.807 3.950 . 0 0 "[ . 1 . 2]" 1
402 1 24 ILE HA 1 25 ASN H 3.400 . 3.400 2.216 2.133 2.300 . 0 0 "[ . 1 . 2]" 1
403 1 25 ASN HB3 1 26 ASP H 3.570 . 3.570 3.569 3.259 3.603 0.033 20 0 "[ . 1 . 2]" 1
404 1 26 ASP H 1 26 ASP HB3 3.770 . 3.770 3.234 2.543 3.619 . 0 0 "[ . 1 . 2]" 1
405 1 26 ASP H 1 26 ASP HB2 3.770 . 3.770 2.450 2.252 2.656 . 0 0 "[ . 1 . 2]" 1
406 1 26 ASP H 1 27 GLU H 3.810 . 3.810 2.787 2.540 3.040 . 0 0 "[ . 1 . 2]" 1
407 1 27 GLU H 1 28 GLU HA 5.100 . 5.100 4.930 4.709 5.100 . 0 0 "[ . 1 . 2]" 1
408 1 27 GLU H 1 27 GLU HB2 4.030 . 4.030 2.690 2.356 3.602 . 0 0 "[ . 1 . 2]" 1
409 1 27 GLU H 1 27 GLU HG2 4.540 . 4.540 3.141 1.808 3.953 . 0 0 "[ . 1 . 2]" 1
410 1 27 GLU H 1 27 GLU HG3 4.540 . 4.540 3.207 2.054 3.866 . 0 0 "[ . 1 . 2]" 1
411 1 27 GLU H 1 27 GLU HB3 4.030 . 4.030 3.460 2.769 3.648 . 0 0 "[ . 1 . 2]" 1
412 1 27 GLU H 1 28 GLU H 3.300 . 3.300 2.983 2.723 3.167 . 0 0 "[ . 1 . 2]" 1
413 1 26 ASP HA 1 28 GLU H 4.400 . 4.400 3.161 2.879 3.440 . 0 0 "[ . 1 . 2]" 1
414 1 28 GLU H 1 28 GLU HG2 4.180 . 4.180 2.950 2.626 3.516 . 0 0 "[ . 1 . 2]" 1
415 1 28 GLU H 1 28 GLU HG3 4.180 . 4.180 3.698 2.644 4.200 0.020 20 0 "[ . 1 . 2]" 1
416 1 24 ILE MD 1 28 GLU H 4.540 . 4.540 3.554 3.374 3.744 . 0 0 "[ . 1 . 2]" 1
417 1 25 ASN H 1 29 GLN H 4.110 . 4.110 2.779 2.547 2.988 . 0 0 "[ . 1 . 2]" 1
418 1 28 GLU H 1 29 GLN H 3.490 . 3.490 2.740 2.611 2.838 . 0 0 "[ . 1 . 2]" 1
419 1 29 GLN H 1 29 GLN HB3 4.140 . 4.140 3.475 2.407 3.706 . 0 0 "[ . 1 . 2]" 1
420 1 29 GLN H 1 29 GLN HB2 4.140 . 4.140 2.448 2.222 2.588 . 0 0 "[ . 1 . 2]" 1
421 1 25 ASN HB3 1 29 GLN H 3.750 . 3.750 3.018 2.508 3.369 . 0 0 "[ . 1 . 2]" 1
422 1 30 HIS HA 1 31 SER H 3.520 . 3.520 2.240 2.156 2.364 . 0 0 "[ . 1 . 2]" 1
423 1 31 SER H 1 59 VAL QG 5.370 . 5.370 3.738 3.042 4.113 . 0 0 "[ . 1 . 2]" 1
424 1 23 LEU HG 1 33 TRP H 5.190 . 5.190 4.011 3.320 5.200 0.010 13 0 "[ . 1 . 2]" 1
425 1 21 PHE H 1 35 THR H 4.960 . 4.960 4.653 4.458 4.833 . 0 0 "[ . 1 . 2]" 1
426 1 20 PHE HA 1 35 THR H 3.700 . 3.700 3.106 2.853 3.500 . 0 0 "[ . 1 . 2]" 1
427 1 34 PRO HA 1 35 THR H 3.070 . 3.070 2.258 2.222 2.292 . 0 0 "[ . 1 . 2]" 1
428 1 34 PRO HG2 1 35 THR H 4.540 . 4.540 4.542 4.525 4.550 0.010 17 0 "[ . 1 . 2]" 1
429 1 34 PRO HB3 1 36 PHE H 4.870 . 4.870 4.047 3.930 4.295 . 0 0 "[ . 1 . 2]" 1
430 1 34 PRO HG2 1 36 PHE H 4.640 . 4.640 3.427 3.197 3.776 . 0 0 "[ . 1 . 2]" 1
431 1 34 PRO HG3 1 36 PHE H 5.420 . 5.420 4.596 4.422 4.913 . 0 0 "[ . 1 . 2]" 1
432 1 36 PHE H 1 37 ALA MB 5.500 . 5.500 4.224 4.117 4.368 . 0 0 "[ . 1 . 2]" 1
433 1 34 PRO HB2 1 36 PHE H 4.870 . 4.870 2.339 2.220 2.600 . 0 0 "[ . 1 . 2]" 1
434 1 36 PHE H 1 36 PHE HB3 3.820 . 3.820 3.587 3.560 3.608 . 0 0 "[ . 1 . 2]" 1
435 1 36 PHE H 1 36 PHE HB2 3.820 . 3.820 2.601 2.522 2.673 . 0 0 "[ . 1 . 2]" 1
436 1 34 PRO HA 1 36 PHE H 4.120 . 4.120 3.900 3.779 4.071 . 0 0 "[ . 1 . 2]" 1
437 1 36 PHE H 1 37 ALA H 3.440 . 3.440 2.619 2.520 2.735 . 0 0 "[ . 1 . 2]" 1
438 1 36 PHE H 1 36 PHE HD1 3.870 . 3.870 4.005 3.872 4.129 0.259 6 0 "[ . 1 . 2]" 1
439 1 36 PHE H 1 36 PHE HD2 4.120 . 4.120 2.790 2.402 3.206 . 0 0 "[ . 1 . 2]" 1
440 1 35 THR H 1 36 PHE H 3.750 . 3.750 2.645 2.602 2.691 . 0 0 "[ . 1 . 2]" 1
441 1 33 TRP HE1 1 37 ALA H 5.500 . 5.500 4.451 4.193 4.874 . 0 0 "[ . 1 . 2]" 1
442 1 34 PRO HA 1 37 ALA H 5.360 . 5.360 4.985 4.711 5.264 . 0 0 "[ . 1 . 2]" 1
443 1 37 ALA H 1 37 ALA MB 3.150 . 3.150 2.532 2.350 2.654 . 0 0 "[ . 1 . 2]" 1
444 1 34 PRO HG2 1 37 ALA H 4.500 . 4.500 3.111 2.662 3.604 . 0 0 "[ . 1 . 2]" 1
445 1 37 ALA HA 1 38 ASP H 3.430 . 3.430 2.367 2.251 2.522 . 0 0 "[ . 1 . 2]" 1
446 1 38 ASP H 1 38 ASP HB3 3.760 . 3.760 3.298 2.393 3.695 . 0 0 "[ . 1 . 2]" 1
447 1 39 VAL H 1 39 VAL MG1 3.820 . 3.820 3.775 3.761 3.799 . 0 0 "[ . 1 . 2]" 1
448 1 39 VAL H 1 39 VAL HB 2.880 . 2.880 2.551 2.493 2.620 . 0 0 "[ . 1 . 2]" 1
449 1 38 ASP HA 1 39 VAL H 2.730 . 2.730 2.263 2.179 2.313 . 0 0 "[ . 1 . 2]" 1
450 1 41 ALA H 1 41 ALA MB 2.770 . 2.770 2.230 2.216 2.238 . 0 0 "[ . 1 . 2]" 1
451 1 40 PRO HB2 1 41 ALA H 4.020 . 4.020 3.511 3.223 3.669 . 0 0 "[ . 1 . 2]" 1
452 1 40 PRO HA 1 41 ALA H 2.790 . 2.790 2.146 2.116 2.170 . 0 0 "[ . 1 . 2]" 1
453 1 41 ALA HA 1 42 GLY H 3.040 . 3.040 2.153 2.137 2.168 . 0 0 "[ . 1 . 2]" 1
454 1 42 GLY H 1 43 TRP H 3.670 . 3.670 2.620 2.481 2.757 . 0 0 "[ . 1 . 2]" 1
455 1 43 TRP H 1 44 ARG H 4.620 . 4.620 4.428 4.084 4.570 . 0 0 "[ . 1 . 2]" 1
456 1 43 TRP H 1 43 TRP HD1 3.610 . 3.610 2.485 2.255 2.786 . 0 0 "[ . 1 . 2]" 1
457 1 41 ALA HA 1 43 TRP H 4.010 . 4.010 3.453 3.315 3.626 . 0 0 "[ . 1 . 2]" 1
458 1 43 TRP H 1 43 TRP HB2 3.940 . 3.940 2.512 2.427 2.612 . 0 0 "[ . 1 . 2]" 1
459 1 43 TRP H 1 43 TRP HB3 3.940 . 3.940 3.683 3.633 3.751 . 0 0 "[ . 1 . 2]" 1
460 1 40 PRO QD 1 43 TRP H 5.130 . 5.130 4.819 4.679 4.921 . 0 0 "[ . 1 . 2]" 1
461 1 41 ALA MB 1 43 TRP H 4.540 . 4.540 4.442 4.407 4.479 . 0 0 "[ . 1 . 2]" 1
462 1 40 PRO HG2 1 43 TRP H 4.840 . 4.840 3.810 3.663 4.006 . 0 0 "[ . 1 . 2]" 1
463 1 24 ILE H 1 44 ARG H 3.540 . 3.540 2.753 2.290 3.049 . 0 0 "[ . 1 . 2]" 1
464 1 43 TRP HE3 1 44 ARG H 4.940 . 4.940 4.394 3.652 4.926 . 0 0 "[ . 1 . 2]" 1
465 1 23 LEU HA 1 44 ARG H 5.320 . 5.320 4.650 4.163 5.020 . 0 0 "[ . 1 . 2]" 1
466 1 24 ILE HA 1 44 ARG H 5.500 . 5.500 4.804 4.537 4.968 . 0 0 "[ . 1 . 2]" 1
467 1 43 TRP HA 1 44 ARG H 3.180 . 3.180 2.196 2.130 2.320 . 0 0 "[ . 1 . 2]" 1
468 1 44 ARG H 1 44 ARG HB3 3.410 . 3.410 2.875 2.634 3.200 . 0 0 "[ . 1 . 2]" 1
469 1 44 ARG H 1 44 ARG HG3 3.760 . 3.760 3.341 2.848 3.513 . 0 0 "[ . 1 . 2]" 1
470 1 44 ARG HA 1 45 VAL H 2.840 . 2.840 2.232 2.157 2.277 . 0 0 "[ . 1 . 2]" 1
471 1 45 VAL H 1 45 VAL HB 2.680 . 2.680 2.576 2.521 2.614 . 0 0 "[ . 1 . 2]" 1
472 1 44 ARG HG3 1 45 VAL H 4.260 . 4.260 3.942 3.601 4.215 . 0 0 "[ . 1 . 2]" 1
473 1 45 VAL H 1 46 VAL QG 4.950 . 4.950 4.602 4.495 4.710 . 0 0 "[ . 1 . 2]" 1
474 1 22 VAL H 1 46 VAL H 4.720 . 4.720 4.374 4.173 4.550 . 0 0 "[ . 1 . 2]" 1
475 1 45 VAL H 1 46 VAL H 5.150 . 5.150 4.452 4.385 4.546 . 0 0 "[ . 1 . 2]" 1
476 1 23 LEU HA 1 46 VAL H 3.930 . 3.930 2.398 2.202 2.651 . 0 0 "[ . 1 . 2]" 1
477 1 45 VAL HA 1 46 VAL H 3.040 . 3.040 2.165 2.136 2.182 . 0 0 "[ . 1 . 2]" 1
478 1 45 VAL HB 1 46 VAL H 4.650 . 4.650 4.241 4.101 4.326 . 0 0 "[ . 1 . 2]" 1
479 1 46 VAL H 1 47 PHE H 2.820 . 2.820 2.119 1.899 2.252 . 0 0 "[ . 1 . 2]" 1
480 1 22 VAL H 1 47 PHE H 3.640 . 3.640 2.977 2.840 3.125 . 0 0 "[ . 1 . 2]" 1
481 1 47 PHE H 1 47 PHE HD2 5.480 . 5.480 5.155 4.940 5.356 . 0 0 "[ . 1 . 2]" 1
482 1 47 PHE H 1 47 PHE HD1 5.500 . 5.500 4.736 4.599 4.851 . 0 0 "[ . 1 . 2]" 1
483 1 23 LEU HA 1 47 PHE H 4.460 . 4.460 4.038 3.951 4.104 . 0 0 "[ . 1 . 2]" 1
484 1 21 PHE HB3 1 47 PHE H 5.170 . 5.170 5.003 4.711 5.106 . 0 0 "[ . 1 . 2]" 1
485 1 46 VAL HB 1 47 PHE H 4.660 . 4.660 4.011 3.924 4.068 . 0 0 "[ . 1 . 2]" 1
486 1 22 VAL HB 1 47 PHE H 3.590 . 3.590 3.031 2.819 3.214 . 0 0 "[ . 1 . 2]" 1
487 1 45 VAL HB 1 47 PHE H 5.140 . 5.140 4.923 4.805 5.117 . 0 0 "[ . 1 . 2]" 1
488 1 21 PHE QD 1 49 GLU H 4.180 . 4.180 3.096 2.870 3.414 . 0 0 "[ . 1 . 2]" 1
489 1 49 GLU H 1 49 GLU HG3 3.700 . 3.700 2.597 1.797 3.715 0.015 14 0 "[ . 1 . 2]" 1
490 1 49 GLU H 1 49 GLU HB2 3.640 . 3.640 3.445 2.658 3.610 . 0 0 "[ . 1 . 2]" 1
491 1 49 GLU H 1 49 GLU HB3 3.640 . 3.640 2.918 2.556 3.603 . 0 0 "[ . 1 . 2]" 1
492 1 50 ALA H 1 51 SER H 4.650 . 4.650 4.404 4.356 4.436 . 0 0 "[ . 1 . 2]" 1
493 1 49 GLU H 1 50 ALA H 4.610 . 4.610 4.437 4.385 4.545 . 0 0 "[ . 1 . 2]" 1
494 1 21 PHE QD 1 50 ALA H 4.490 . 4.490 4.379 4.009 4.465 . 0 0 "[ . 1 . 2]" 1
495 1 21 PHE HA 1 50 ALA H 4.770 . 4.770 3.460 3.207 3.829 . 0 0 "[ . 1 . 2]" 1
496 1 49 GLU HA 1 50 ALA H 2.970 . 2.970 2.115 2.087 2.170 . 0 0 "[ . 1 . 2]" 1
497 1 49 GLU HB2 1 50 ALA H 4.520 . 4.520 3.658 3.214 4.299 . 0 0 "[ . 1 . 2]" 1
498 1 50 ALA H 1 50 ALA MB 3.170 . 3.170 2.618 2.540 2.718 . 0 0 "[ . 1 . 2]" 1
499 1 19 MET HB3 1 50 ALA H 4.130 . 4.130 3.272 2.968 3.462 . 0 0 "[ . 1 . 2]" 1
500 1 50 ALA MB 1 51 SER H 2.890 . 2.890 2.346 2.292 2.450 . 0 0 "[ . 1 . 2]" 1
501 1 19 MET HB3 1 51 SER H 4.630 . 4.630 4.571 4.160 4.639 0.009 11 0 "[ . 1 . 2]" 1
502 1 51 SER H 1 51 SER HB3 3.650 . 3.650 2.762 2.494 3.575 . 0 0 "[ . 1 . 2]" 1
503 1 51 SER H 1 51 SER HB2 3.650 . 3.650 2.876 2.482 3.576 . 0 0 "[ . 1 . 2]" 1
504 1 50 ALA HA 1 51 SER H 2.990 . 2.990 2.420 2.376 2.479 . 0 0 "[ . 1 . 2]" 1
505 1 51 SER H 1 54 SER H 4.940 . 4.940 4.629 4.293 4.895 . 0 0 "[ . 1 . 2]" 1
506 1 20 PHE HD2 1 52 ARG H 5.310 . 5.310 4.806 4.165 5.276 . 0 0 "[ . 1 . 2]" 1
507 1 51 SER HA 1 52 ARG H 3.460 . 3.460 2.260 2.182 2.427 . 0 0 "[ . 1 . 2]" 1
508 1 51 SER HB2 1 52 ARG H 4.370 . 4.370 3.562 2.639 4.111 . 0 0 "[ . 1 . 2]" 1
509 1 16 GLU HA 1 52 ARG H 4.920 . 4.920 4.225 3.008 4.921 0.001 15 0 "[ . 1 . 2]" 1
510 1 52 ARG H 1 52 ARG HB2 3.500 . 3.500 2.423 2.258 2.606 . 0 0 "[ . 1 . 2]" 1
511 1 52 ARG H 1 52 ARG HB3 3.780 . 3.780 2.565 2.367 2.795 . 0 0 "[ . 1 . 2]" 1
512 1 52 ARG H 1 53 ALA MB 5.080 . 5.080 4.596 4.506 4.700 . 0 0 "[ . 1 . 2]" 1
513 1 52 ARG H 1 53 ALA H 3.590 . 3.590 2.942 2.881 3.031 . 0 0 "[ . 1 . 2]" 1
514 1 52 ARG HB3 1 53 ALA H 3.190 . 3.190 2.532 2.386 2.828 . 0 0 "[ . 1 . 2]" 1
515 1 53 ALA H 1 53 ALA MB 2.690 . 2.690 2.241 2.230 2.252 . 0 0 "[ . 1 . 2]" 1
516 1 53 ALA H 1 56 VAL MG2 4.770 . 4.770 4.459 4.291 4.720 . 0 0 "[ . 1 . 2]" 1
517 1 54 SER H 1 55 CYS H 3.110 . 3.110 2.671 2.496 2.768 . 0 0 "[ . 1 . 2]" 1
518 1 53 ALA H 1 54 SER H 3.270 . 3.270 2.780 2.657 2.861 . 0 0 "[ . 1 . 2]" 1
519 1 54 SER H 1 54 SER HB3 3.800 . 3.800 3.395 2.537 3.593 . 0 0 "[ . 1 . 2]" 1
520 1 53 ALA MB 1 54 SER H 3.030 . 3.030 2.490 2.387 2.640 . 0 0 "[ . 1 . 2]" 1
521 1 56 VAL H 1 56 VAL MG2 3.050 . 3.050 2.137 2.041 2.232 . 0 0 "[ . 1 . 2]" 1
522 1 56 VAL H 1 56 VAL HB 3.040 . 3.040 2.503 2.457 2.548 . 0 0 "[ . 1 . 2]" 1
523 1 55 CYS HB3 1 56 VAL H 4.050 . 4.050 3.612 3.528 3.754 . 0 0 "[ . 1 . 2]" 1
524 1 55 CYS HB2 1 56 VAL H 4.050 . 4.050 2.431 2.292 2.562 . 0 0 "[ . 1 . 2]" 1
525 1 53 ALA HA 1 56 VAL H 3.860 . 3.860 3.544 3.428 3.631 . 0 0 "[ . 1 . 2]" 1
526 1 55 CYS H 1 56 VAL H 3.330 . 3.330 2.769 2.654 2.872 . 0 0 "[ . 1 . 2]" 1
527 1 55 CYS H 1 55 CYS HB2 3.740 . 3.740 2.590 2.471 2.677 . 0 0 "[ . 1 . 2]" 1
528 1 52 ARG HA 1 55 CYS H 4.330 . 4.330 3.715 3.493 3.992 . 0 0 "[ . 1 . 2]" 1
529 1 55 CYS H 1 55 CYS HB3 3.740 . 3.740 3.562 3.545 3.581 . 0 0 "[ . 1 . 2]" 1
530 1 50 ALA MB 1 55 CYS H 4.320 . 4.320 3.617 3.367 3.807 . 0 0 "[ . 1 . 2]" 1
531 1 53 ALA MB 1 55 CYS H 4.760 . 4.760 4.544 4.401 4.689 . 0 0 "[ . 1 . 2]" 1
532 1 56 VAL H 1 57 GLU H 3.280 . 3.280 2.681 2.609 2.798 . 0 0 "[ . 1 . 2]" 1
533 1 55 CYS H 1 57 GLU H 4.800 . 4.800 4.145 3.899 4.365 . 0 0 "[ . 1 . 2]" 1
534 1 57 GLU H 1 59 VAL H 5.240 . 5.240 4.332 4.129 4.589 . 0 0 "[ . 1 . 2]" 1
535 1 54 SER HA 1 57 GLU H 3.820 . 3.820 3.585 3.233 3.822 0.002 9 0 "[ . 1 . 2]" 1
536 1 56 VAL MG2 1 57 GLU H 3.940 . 3.940 3.869 3.819 3.941 0.001 1 0 "[ . 1 . 2]" 1
537 1 58 TYR H 1 59 VAL H 3.540 . 3.540 2.752 2.622 2.889 . 0 0 "[ . 1 . 2]" 1
538 1 56 VAL H 1 58 TYR H 4.910 . 4.910 4.226 3.991 4.294 . 0 0 "[ . 1 . 2]" 1
539 1 58 TYR H 1 58 TYR QD 5.230 . 5.230 4.205 4.089 4.242 . 0 0 "[ . 1 . 2]" 1
540 1 55 CYS HA 1 58 TYR H 3.820 . 3.820 3.592 3.488 3.729 . 0 0 "[ . 1 . 2]" 1
541 1 58 TYR H 1 58 TYR HB2 3.850 . 3.850 2.515 2.288 2.760 . 0 0 "[ . 1 . 2]" 1
542 1 22 VAL QG 1 58 TYR H 4.830 . 4.830 4.180 3.934 4.457 . 0 0 "[ . 1 . 2]" 1
543 1 56 VAL MG2 1 58 TYR H 5.500 . 5.500 5.484 5.278 5.506 0.006 17 0 "[ . 1 . 2]" 1
544 1 59 VAL H 1 60 ASP H 3.710 . 3.710 2.784 2.668 2.883 . 0 0 "[ . 1 . 2]" 1
545 1 60 ASP H 1 61 GLN H 3.650 . 3.650 2.750 2.623 2.882 . 0 0 "[ . 1 . 2]" 1
546 1 57 GLU HA 1 60 ASP H 4.050 . 4.050 3.589 3.170 3.875 . 0 0 "[ . 1 . 2]" 1
547 1 56 VAL HA 1 60 ASP H 4.590 . 4.590 3.964 3.686 4.213 . 0 0 "[ . 1 . 2]" 1
548 1 60 ASP H 1 60 ASP HB2 3.470 . 3.470 2.543 2.423 2.637 . 0 0 "[ . 1 . 2]" 1
549 1 60 ASP H 1 60 ASP HB3 3.470 . 3.470 2.520 2.354 2.688 . 0 0 "[ . 1 . 2]" 1
550 1 59 VAL HB 1 60 ASP H 3.430 . 3.430 2.645 2.389 2.891 . 0 0 "[ . 1 . 2]" 1
551 1 59 VAL QG 1 60 ASP H 4.040 . 4.040 3.212 3.038 3.310 . 0 0 "[ . 1 . 2]" 1
552 1 61 GLN H 1 61 GLN HB2 3.990 . 3.990 2.723 2.420 3.632 . 0 0 "[ . 1 . 2]" 1
553 1 58 TYR HA 1 61 GLN H 4.810 . 4.810 3.617 3.055 3.952 . 0 0 "[ . 1 . 2]" 1
554 1 57 GLU HA 1 61 GLN H 4.910 . 4.910 4.375 3.967 4.923 0.013 8 0 "[ . 1 . 2]" 1
555 1 66 ILE HA 1 67 ARG H 3.360 . 3.360 2.342 2.139 3.436 0.076 2 0 "[ . 1 . 2]" 1
556 1 27 GLU HA 1 67 ARG H 4.820 . 4.820 4.493 3.853 4.853 0.033 2 0 "[ . 1 . 2]" 1
557 1 66 ILE HB 1 67 ARG H 4.460 . 4.460 3.939 2.500 4.421 . 0 0 "[ . 1 . 2]" 1
558 1 66 ILE MG 1 67 ARG H 4.620 . 4.620 2.779 1.872 3.686 . 0 0 "[ . 1 . 2]" 1
559 1 66 ILE H 1 67 ARG H 4.620 . 4.620 4.128 2.108 4.621 0.001 1 0 "[ . 1 . 2]" 1
560 1 66 ILE H 1 66 ILE HB 3.380 . 3.380 2.717 2.516 3.400 0.020 17 0 "[ . 1 . 2]" 1
561 1 66 ILE H 1 66 ILE MG 4.120 . 4.120 3.834 3.363 3.992 . 0 0 "[ . 1 . 2]" 1
562 1 66 ILE H 1 66 ILE MD 4.910 . 4.910 3.698 1.793 4.445 0.007 14 0 "[ . 1 . 2]" 1
563 1 66 ILE H 1 66 ILE HG12 4.430 . 4.430 3.591 2.115 4.232 . 0 0 "[ . 1 . 2]" 1
564 1 48 GLY H 1 50 ALA MB 5.170 . 5.170 4.765 4.482 5.161 . 0 0 "[ . 1 . 2]" 1
565 1 47 PHE HD1 1 48 GLY H 3.560 . 3.560 2.517 1.801 3.367 . 0 0 "[ . 1 . 2]" 1
566 1 47 PHE H 1 48 GLY H 4.360 . 4.360 4.221 4.080 4.310 . 0 0 "[ . 1 . 2]" 1
567 1 33 TRP HE1 1 39 VAL HA 4.000 . 4.000 3.533 3.316 3.812 . 0 0 "[ . 1 . 2]" 1
568 1 33 TRP HE1 1 37 ALA MB 3.110 . 3.110 2.135 2.007 2.265 . 0 0 "[ . 1 . 2]" 1
569 1 62 HIS H 1 63 TRP H 4.660 . 4.660 2.642 2.475 3.043 . 0 0 "[ . 1 . 2]" 1
570 1 22 VAL HB 1 59 VAL H 5.500 . 5.500 5.510 5.504 5.517 0.017 15 0 "[ . 1 . 2]" 1
571 1 58 TYR QD 1 59 VAL H 4.840 . 4.840 3.332 2.813 3.741 . 0 0 "[ . 1 . 2]" 1
572 1 10 ASP H 1 10 ASP QB 3.700 . 3.700 2.451 2.233 2.807 . 0 0 "[ . 1 . 2]" 1
573 1 10 ASP QB 1 11 ASN H 4.030 . 4.030 3.240 2.340 3.853 . 0 0 "[ . 1 . 2]" 1
574 1 11 ASN H 1 11 ASN QB 3.500 . 3.500 2.634 2.219 3.235 . 0 0 "[ . 1 . 2]" 1
575 1 11 ASN H 1 12 PRO QD 4.870 . 4.870 3.987 2.745 4.441 . 0 0 "[ . 1 . 2]" 1
576 1 11 ASN QB 1 12 PRO QD 4.570 . 4.570 2.976 1.795 3.881 0.005 9 0 "[ . 1 . 2]" 1
577 1 12 PRO QG 1 13 PHE H 4.000 . 4.000 3.147 2.002 3.757 . 0 0 "[ . 1 . 2]" 1
578 1 12 PRO QG 1 13 PHE QD 4.040 . 4.040 3.153 2.245 3.974 . 0 0 "[ . 1 . 2]" 1
579 1 12 PRO QD 1 13 PHE H 3.990 . 3.990 2.724 1.963 3.422 . 0 0 "[ . 1 . 2]" 1
580 1 13 PHE H 1 13 PHE QB 3.450 . 3.450 2.712 2.477 3.042 . 0 0 "[ . 1 . 2]" 1
581 1 13 PHE QB 1 34 PRO QB 4.830 . 4.830 2.738 2.140 3.267 . 0 0 "[ . 1 . 2]" 1
582 1 13 PHE QB 1 34 PRO HG2 4.570 . 4.570 4.041 3.319 4.575 0.005 12 0 "[ . 1 . 2]" 1
583 1 13 PHE QB 1 34 PRO HG3 4.600 . 4.600 2.701 2.085 3.979 . 0 0 "[ . 1 . 2]" 1
584 1 14 ASP H 1 14 ASP QB 3.540 . 3.540 2.465 2.294 2.995 . 0 0 "[ . 1 . 2]" 1
585 1 15 ASP H 1 15 ASP QB 3.570 . 3.570 2.342 2.150 2.697 . 0 0 "[ . 1 . 2]" 1
586 1 16 GLU H 1 17 ASP QB 4.880 . 4.880 4.234 3.448 4.848 . 0 0 "[ . 1 . 2]" 1
587 1 16 GLU HA 1 52 ARG QD 4.070 . 4.070 3.190 2.335 4.071 0.001 12 0 "[ . 1 . 2]" 1
588 1 16 GLU QB 1 16 GLU QG 2.250 . 2.250 2.085 1.991 2.095 . 0 0 "[ . 1 . 2]" 1
589 1 16 GLU QG 1 17 ASP H 4.330 . 4.330 2.787 2.205 4.112 . 0 0 "[ . 1 . 2]" 1
590 1 17 ASP H 1 17 ASP QB 2.990 . 2.990 2.382 2.239 2.661 . 0 0 "[ . 1 . 2]" 1
591 1 17 ASP QB 1 18 GLY H 3.640 . 3.640 3.148 2.934 3.651 0.011 11 0 "[ . 1 . 2]" 1
592 1 18 GLY QA 1 19 MET H 2.860 . 2.860 2.181 2.128 2.284 . 0 0 "[ . 1 . 2]" 1
593 1 18 GLY QA 1 20 PHE HE1 4.260 . 4.260 2.757 2.528 3.170 . 0 0 "[ . 1 . 2]" 1
594 1 19 MET QG 1 35 THR MG 4.460 . 4.460 4.342 4.030 4.470 0.010 18 0 "[ . 1 . 2]" 1
595 1 19 MET ME 1 51 SER QB 3.980 . 3.980 3.815 3.011 3.992 0.012 1 0 "[ . 1 . 2]" 1
596 1 20 PHE HB2 1 32 LEU QD 4.790 . 4.790 1.918 1.796 2.178 0.004 14 0 "[ . 1 . 2]" 1
597 1 20 PHE HD2 1 32 LEU QD 4.340 . 4.340 2.328 1.802 2.969 . 0 0 "[ . 1 . 2]" 1
598 1 20 PHE HE2 1 52 ARG QD 3.980 . 3.980 2.584 1.797 3.986 0.006 18 0 "[ . 1 . 2]" 1
599 1 20 PHE HE1 1 34 PRO QB 3.770 . 3.770 2.992 2.532 3.194 . 0 0 "[ . 1 . 2]" 1
600 1 21 PHE HA 1 32 LEU QD 4.960 . 4.960 3.673 3.393 3.903 . 0 0 "[ . 1 . 2]" 1
601 1 21 PHE HB2 1 23 LEU QD 3.730 . 3.730 2.905 2.579 2.979 . 0 0 "[ . 1 . 2]" 1
602 1 21 PHE HB2 1 33 TRP QB 4.750 . 4.750 4.342 4.214 4.462 . 0 0 "[ . 1 . 2]" 1
603 1 21 PHE HB3 1 23 LEU QD 4.290 . 4.290 4.254 3.983 4.296 0.006 3 0 "[ . 1 . 2]" 1
604 1 21 PHE QD 1 23 LEU QD 3.620 . 3.620 1.977 1.787 2.235 0.013 15 0 "[ . 1 . 2]" 1
605 1 21 PHE QE 1 23 LEU QD 4.340 . 4.340 2.962 2.801 3.148 . 0 0 "[ . 1 . 2]" 1
606 1 21 PHE QE 1 39 VAL QG 3.890 . 3.890 2.354 2.025 2.590 . 0 0 "[ . 1 . 2]" 1
607 1 21 PHE QE 1 49 GLU QB 4.410 . 4.410 3.146 2.860 4.064 . 0 0 "[ . 1 . 2]" 1
608 1 21 PHE QE 1 49 GLU QG 4.590 . 4.590 3.992 2.079 4.574 . 0 0 "[ . 1 . 2]" 1
609 1 22 VAL H 1 23 LEU QD 4.200 . 4.200 3.979 3.472 4.201 0.001 7 0 "[ . 1 . 2]" 1
610 1 22 VAL H 1 32 LEU QD 4.590 . 4.590 3.832 3.531 4.185 . 0 0 "[ . 1 . 2]" 1
611 1 22 VAL QG 1 23 LEU QD 5.160 . 5.160 4.021 3.554 4.211 . 0 0 "[ . 1 . 2]" 1
612 1 22 VAL QG 1 30 HIS QB 4.840 . 4.840 3.203 2.772 3.704 . 0 0 "[ . 1 . 2]" 1
613 1 22 VAL QG 1 32 LEU QD . . 3.180 2.126 1.786 2.642 0.014 8 0 "[ . 1 . 2]" 1
614 1 22 VAL QG 1 47 PHE QB . . 3.480 2.320 2.146 2.427 . 0 0 "[ . 1 . 2]" 1
615 1 22 VAL QG 1 55 CYS QB . . 3.040 2.224 2.122 2.271 . 0 0 "[ . 1 . 2]" 1
616 1 22 VAL QG 1 58 TYR QB . . 3.590 2.477 2.257 2.739 . 0 0 "[ . 1 . 2]" 1
617 1 23 LEU H 1 23 LEU QD 3.930 . 3.930 3.020 2.361 3.309 . 0 0 "[ . 1 . 2]" 1
618 1 23 LEU H 1 32 LEU QD 5.150 . 5.150 4.222 3.892 4.623 . 0 0 "[ . 1 . 2]" 1
619 1 23 LEU HA 1 23 LEU QD 3.220 . 3.220 2.364 2.154 2.903 . 0 0 "[ . 1 . 2]" 1
620 1 23 LEU QB 1 39 VAL QG 4.220 . 4.220 3.632 3.341 4.159 . 0 0 "[ . 1 . 2]" 1
621 1 23 LEU QB 1 43 TRP QB 3.980 . 3.980 2.160 1.945 2.311 . 0 0 "[ . 1 . 2]" 1
622 1 23 LEU QB 1 43 TRP HE3 3.890 . 3.890 2.617 2.283 3.044 . 0 0 "[ . 1 . 2]" 1
623 1 23 LEU QB 1 46 VAL QG 4.930 . 4.930 3.908 3.783 4.027 . 0 0 "[ . 1 . 2]" 1
624 1 23 LEU HG 1 33 TRP QB 4.220 . 4.220 2.933 2.399 4.056 . 0 0 "[ . 1 . 2]" 1
625 1 23 LEU HG 1 39 VAL QG 4.700 . 4.700 3.737 3.072 4.170 . 0 0 "[ . 1 . 2]" 1
626 1 23 LEU QD 1 24 ILE H 4.300 . 4.300 3.592 3.408 3.889 . 0 0 "[ . 1 . 2]" 1
627 1 23 LEU QD 1 33 TRP QB 3.190 . 3.190 1.967 1.795 2.152 0.005 11 0 "[ . 1 . 2]" 1
628 1 23 LEU QD 1 33 TRP HE1 5.440 . 5.440 4.585 4.222 4.935 . 0 0 "[ . 1 . 2]" 1
629 1 23 LEU QD 1 39 VAL HA 4.500 . 4.500 2.871 2.566 3.110 . 0 0 "[ . 1 . 2]" 1
630 1 23 LEU QD 1 39 VAL QG 2.920 . 2.920 1.874 1.793 2.097 0.007 10 0 "[ . 1 . 2]" 1
631 1 23 LEU QD 1 40 PRO HG2 4.450 . 4.450 2.950 2.616 3.316 . 0 0 "[ . 1 . 2]" 1
632 1 23 LEU QD 1 40 PRO HG3 5.360 . 5.360 3.411 3.143 3.762 . 0 0 "[ . 1 . 2]" 1
633 1 23 LEU QD 1 40 PRO QD 3.810 . 3.810 2.080 1.840 2.271 . 0 0 "[ . 1 . 2]" 1
634 1 23 LEU QD 1 43 TRP H 5.160 . 5.160 4.499 4.285 4.796 . 0 0 "[ . 1 . 2]" 1
635 1 23 LEU QD 1 43 TRP QB 3.380 . 3.380 2.246 2.009 2.466 . 0 0 "[ . 1 . 2]" 1
636 1 23 LEU QD 1 43 TRP HE3 4.820 . 4.820 3.701 3.398 4.099 . 0 0 "[ . 1 . 2]" 1
637 1 23 LEU QD 1 44 ARG HA 5.440 . 5.440 3.731 3.368 4.356 . 0 0 "[ . 1 . 2]" 1
638 1 23 LEU QD 1 45 VAL H 4.700 . 4.700 3.465 3.158 4.274 . 0 0 "[ . 1 . 2]" 1
639 1 23 LEU QD 1 45 VAL HA 3.000 . 3.000 2.100 1.792 3.011 0.011 15 0 "[ . 1 . 2]" 1
640 1 23 LEU QD 1 45 VAL QG 2.500 . 2.500 1.930 1.782 2.337 0.018 5 0 "[ . 1 . 2]" 1
641 1 23 LEU QD 1 46 VAL H 3.840 . 3.840 3.340 3.029 3.853 0.013 11 0 "[ . 1 . 2]" 1
642 1 23 LEU QD 1 47 PHE H 4.530 . 4.530 4.118 3.912 4.326 . 0 0 "[ . 1 . 2]" 1
643 1 24 ILE MG 1 44 ARG QD 4.730 . 4.730 2.700 2.431 3.320 . 0 0 "[ . 1 . 2]" 1
644 1 24 ILE QG 1 25 ASN H 3.900 . 3.900 2.305 1.826 2.720 . 0 0 "[ . 1 . 2]" 1
645 1 24 ILE QG 1 28 GLU H 4.620 . 4.620 3.573 3.344 3.789 . 0 0 "[ . 1 . 2]" 1
646 1 24 ILE QG 1 28 GLU HA 3.650 . 3.650 2.638 2.253 2.888 . 0 0 "[ . 1 . 2]" 1
647 1 24 ILE MD 1 28 GLU QB 4.070 . 4.070 3.298 2.625 3.782 . 0 0 "[ . 1 . 2]" 1
648 1 24 ILE MD 1 28 GLU QG 4.180 . 4.180 3.555 2.583 4.181 0.001 17 0 "[ . 1 . 2]" 1
649 1 26 ASP H 1 26 ASP QB 3.260 . 3.260 2.356 2.174 2.591 . 0 0 "[ . 1 . 2]" 1
650 1 27 GLU H 1 27 GLU QB 3.390 . 3.390 2.495 2.326 2.927 . 0 0 "[ . 1 . 2]" 1
651 1 27 GLU H 1 27 GLU QG 3.930 . 3.930 2.607 1.793 3.469 0.007 2 0 "[ . 1 . 2]" 1
652 1 27 GLU QB 1 28 GLU QG 4.930 . 4.930 4.793 4.590 4.940 0.010 3 0 "[ . 1 . 2]" 1
653 1 27 GLU QB 1 29 GLN QG 4.300 . 4.300 2.482 1.794 4.183 0.006 3 0 "[ . 1 . 2]" 1
654 1 27 GLU QB 1 68 PRO HA 5.220 . 5.220 4.928 4.440 5.224 0.004 6 0 "[ . 1 . 2]" 1
655 1 27 GLU QB 1 68 PRO QG 4.280 . 4.280 2.220 1.801 3.650 . 0 0 "[ . 1 . 2]" 1
656 1 27 GLU QB 1 68 PRO HD2 4.190 . 4.190 3.017 1.797 3.922 0.003 16 0 "[ . 1 . 2]" 1
657 1 27 GLU QB 1 68 PRO HD3 3.640 . 3.640 2.244 1.793 3.646 0.007 14 0 "[ . 1 . 2]" 1
658 1 28 GLU H 1 28 GLU QB 3.650 . 3.650 3.288 3.197 3.356 . 0 0 "[ . 1 . 2]" 1
659 1 28 GLU H 1 28 GLU QG 3.620 . 3.620 2.686 2.572 2.883 . 0 0 "[ . 1 . 2]" 1
660 1 28 GLU HA 1 28 GLU QG 3.540 . 3.540 2.706 2.299 3.082 . 0 0 "[ . 1 . 2]" 1
661 1 29 GLN H 1 29 GLN QB 3.390 . 3.390 2.387 2.196 2.541 . 0 0 "[ . 1 . 2]" 1
662 1 29 GLN H 1 29 GLN QG 3.920 . 3.920 2.827 2.305 3.950 0.030 13 0 "[ . 1 . 2]" 1
663 1 29 GLN QB 1 43 TRP HE3 4.370 . 4.370 4.286 3.964 4.381 0.011 13 0 "[ . 1 . 2]" 1
664 1 30 HIS QB 1 59 VAL QG 4.570 . 4.570 2.522 1.887 3.317 . 0 0 "[ . 1 . 2]" 1
665 1 31 SER H 1 32 LEU QD 5.440 . 5.440 5.383 5.251 5.457 0.017 12 0 "[ . 1 . 2]" 1
666 1 32 LEU HA 1 32 LEU QD 3.600 . 3.600 2.049 1.957 2.125 . 0 0 "[ . 1 . 2]" 1
667 1 32 LEU HB3 1 32 LEU QD 2.920 . 2.920 2.216 2.122 2.310 . 0 0 "[ . 1 . 2]" 1
668 1 32 LEU QD 1 33 TRP H 4.640 . 4.640 2.342 1.983 2.590 . 0 0 "[ . 1 . 2]" 1
669 1 32 LEU QD 1 34 PRO HD3 5.440 . 5.440 4.848 4.340 5.194 . 0 0 "[ . 1 . 2]" 1
670 1 32 LEU QD 1 52 ARG HA 4.370 . 4.370 3.506 3.037 3.833 . 0 0 "[ . 1 . 2]" 1
671 1 32 LEU QD 1 52 ARG QD 4.010 . 4.010 2.992 2.002 3.942 . 0 0 "[ . 1 . 2]" 1
672 1 32 LEU QD 1 55 CYS H 5.050 . 5.050 4.313 4.150 4.500 . 0 0 "[ . 1 . 2]" 1
673 1 32 LEU QD 1 55 CYS HA 4.910 . 4.910 3.713 3.599 3.821 . 0 0 "[ . 1 . 2]" 1
674 1 32 LEU QD 1 55 CYS QB 3.200 . 3.200 1.821 1.793 1.919 0.007 9 0 "[ . 1 . 2]" 1
675 1 32 LEU QD 1 56 VAL H 5.440 . 5.440 3.637 3.073 4.064 . 0 0 "[ . 1 . 2]" 1
676 1 32 LEU QD 1 56 VAL HA 4.060 . 4.060 3.458 2.691 4.065 0.005 14 0 "[ . 1 . 2]" 1
677 1 32 LEU QD 1 56 VAL MG2 3.350 . 3.350 2.787 2.292 3.326 . 0 0 "[ . 1 . 2]" 1
678 1 32 LEU QD 1 59 VAL QG 4.320 . 4.320 2.714 2.189 3.124 . 0 0 "[ . 1 . 2]" 1
679 1 33 TRP HD1 1 39 VAL QG 3.610 . 3.610 3.378 3.077 3.616 0.006 11 0 "[ . 1 . 2]" 1
680 1 33 TRP HE1 1 39 VAL QG 5.440 . 5.440 4.336 4.141 4.659 . 0 0 "[ . 1 . 2]" 1
681 1 34 PRO QB 1 36 PHE H 4.130 . 4.130 2.325 2.208 2.580 . 0 0 "[ . 1 . 2]" 1
682 1 35 THR MG 1 49 GLU QB 3.310 . 3.310 2.264 1.977 2.742 . 0 0 "[ . 1 . 2]" 1
683 1 35 THR MG 1 49 GLU QG 3.920 . 3.920 3.047 1.939 3.700 . 0 0 "[ . 1 . 2]" 1
684 1 36 PHE H 1 36 PHE QB 3.210 . 3.210 2.543 2.475 2.604 . 0 0 "[ . 1 . 2]" 1
685 1 38 ASP H 1 38 ASP QB 3.280 . 3.280 2.393 2.247 2.718 . 0 0 "[ . 1 . 2]" 1
686 1 38 ASP HA 1 39 VAL QG 3.710 . 3.710 3.476 3.404 3.545 . 0 0 "[ . 1 . 2]" 1
687 1 38 ASP QB 1 39 VAL H 3.390 . 3.390 2.917 2.592 3.407 0.017 14 0 "[ . 1 . 2]" 1
688 1 39 VAL H 1 39 VAL QG 2.910 . 2.910 2.027 1.919 2.169 . 0 0 "[ . 1 . 2]" 1
689 1 39 VAL HA 1 39 VAL QG 2.950 . 2.950 2.150 2.138 2.159 . 0 0 "[ . 1 . 2]" 1
690 1 39 VAL QG 1 40 PRO HA 5.040 . 5.040 4.149 3.998 4.232 . 0 0 "[ . 1 . 2]" 1
691 1 39 VAL QG 1 40 PRO QD 3.160 . 3.160 2.275 2.023 2.459 . 0 0 "[ . 1 . 2]" 1
692 1 39 VAL QG 1 43 TRP H 4.180 . 4.180 3.760 3.449 3.951 . 0 0 "[ . 1 . 2]" 1
693 1 39 VAL QG 1 43 TRP QB 3.380 . 3.380 2.860 2.386 3.227 . 0 0 "[ . 1 . 2]" 1
694 1 39 VAL QG 1 44 ARG H 4.860 . 4.860 4.633 3.839 4.869 0.009 12 0 "[ . 1 . 2]" 1
695 1 39 VAL QG 1 44 ARG HA 4.030 . 4.030 3.318 2.532 3.690 . 0 0 "[ . 1 . 2]" 1
696 1 39 VAL QG 1 45 VAL H 4.720 . 4.720 3.526 3.209 3.837 . 0 0 "[ . 1 . 2]" 1
697 1 39 VAL QG 1 45 VAL HA 4.710 . 4.710 4.058 3.817 4.393 . 0 0 "[ . 1 . 2]" 1
698 1 39 VAL QG 1 45 VAL HB 4.600 . 4.600 4.204 3.800 4.605 0.005 19 0 "[ . 1 . 2]" 1
699 1 39 VAL QG 1 45 VAL QG 2.930 . 2.930 2.096 1.914 2.393 . 0 0 "[ . 1 . 2]" 1
700 1 40 PRO HB2 1 43 TRP QB 5.340 . 5.340 3.804 3.519 4.108 . 0 0 "[ . 1 . 2]" 1
701 1 40 PRO HG2 1 43 TRP QB 4.610 . 4.610 2.161 1.895 2.409 . 0 0 "[ . 1 . 2]" 1
702 1 41 ALA HA 1 42 GLY QA 4.630 . 4.630 3.943 3.927 3.954 . 0 0 "[ . 1 . 2]" 1
703 1 41 ALA MB 1 42 GLY QA 4.480 . 4.480 3.744 3.699 3.774 . 0 0 "[ . 1 . 2]" 1
704 1 42 GLY QA 1 43 TRP HD1 4.330 . 4.330 3.488 3.212 3.667 . 0 0 "[ . 1 . 2]" 1
705 1 43 TRP H 1 43 TRP QB 3.130 . 3.130 2.472 2.392 2.566 . 0 0 "[ . 1 . 2]" 1
706 1 44 ARG H 1 44 ARG QD 4.780 . 4.780 4.131 3.819 4.421 . 0 0 "[ . 1 . 2]" 1
707 1 44 ARG HA 1 44 ARG QD 4.810 . 4.810 4.470 4.234 4.593 . 0 0 "[ . 1 . 2]" 1
708 1 44 ARG HB2 1 44 ARG QD 3.080 . 3.080 2.563 2.261 2.997 . 0 0 "[ . 1 . 2]" 1
709 1 44 ARG HB3 1 44 ARG QD 3.350 . 3.350 2.648 2.353 2.865 . 0 0 "[ . 1 . 2]" 1
710 1 44 ARG QD 1 45 VAL H 5.340 . 5.340 5.010 4.435 5.338 . 0 0 "[ . 1 . 2]" 1
711 1 44 ARG QD 1 46 VAL QG 4.830 . 4.830 3.740 3.129 4.288 . 0 0 "[ . 1 . 2]" 1
712 1 46 VAL QG 1 47 PHE QB 3.890 . 3.890 2.140 2.075 2.250 . 0 0 "[ . 1 . 2]" 1
713 1 47 PHE H 1 47 PHE QB 3.690 . 3.690 2.577 2.489 2.640 . 0 0 "[ . 1 . 2]" 1
714 1 47 PHE QB 1 48 GLY H 4.090 . 4.090 3.792 3.667 3.893 . 0 0 "[ . 1 . 2]" 1
715 1 47 PHE HD2 1 58 TYR QB 3.970 . 3.970 2.647 2.226 3.206 . 0 0 "[ . 1 . 2]" 1
716 1 49 GLU H 1 49 GLU QB 3.010 . 3.010 2.686 2.506 2.963 . 0 0 "[ . 1 . 2]" 1
717 1 49 GLU H 1 49 GLU QG 3.200 . 3.200 2.059 1.790 3.137 0.010 16 0 "[ . 1 . 2]" 1
718 1 49 GLU QB 1 50 ALA H 3.890 . 3.890 3.361 3.078 3.455 . 0 0 "[ . 1 . 2]" 1
719 1 49 GLU QG 1 50 ALA H 4.980 . 4.980 4.566 4.311 4.946 . 0 0 "[ . 1 . 2]" 1
720 1 50 ALA MB 1 54 SER QB 3.190 . 3.190 2.523 2.235 3.047 . 0 0 "[ . 1 . 2]" 1
721 1 51 SER H 1 51 SER QB 2.910 . 2.910 2.420 2.227 2.700 . 0 0 "[ . 1 . 2]" 1
722 1 51 SER H 1 54 SER QB 4.450 . 4.450 3.562 3.030 4.306 . 0 0 "[ . 1 . 2]" 1
723 1 51 SER QB 1 52 ARG H 3.610 . 3.610 3.124 2.582 3.608 . 0 0 "[ . 1 . 2]" 1
724 1 51 SER QB 1 53 ALA H 3.880 . 3.880 3.351 2.921 3.881 0.001 16 0 "[ . 1 . 2]" 1
725 1 51 SER QB 1 53 ALA MB 4.550 . 4.550 3.637 3.287 4.034 . 0 0 "[ . 1 . 2]" 1
726 1 51 SER QB 1 54 SER H 4.160 . 4.160 3.207 2.805 3.619 . 0 0 "[ . 1 . 2]" 1
727 1 52 ARG HA 1 52 ARG QG 3.470 . 3.470 2.813 2.283 3.142 . 0 0 "[ . 1 . 2]" 1
728 1 52 ARG HA 1 52 ARG QD 4.130 . 4.130 2.579 2.117 3.354 . 0 0 "[ . 1 . 2]" 1
729 1 52 ARG HA 1 55 CYS QB 3.800 . 3.800 2.835 2.569 2.946 . 0 0 "[ . 1 . 2]" 1
730 1 52 ARG QG 1 53 ALA H 4.970 . 4.970 3.676 3.123 4.438 . 0 0 "[ . 1 . 2]" 1
731 1 52 ARG QG 1 56 VAL H 5.340 . 5.340 4.297 3.998 4.766 . 0 0 "[ . 1 . 2]" 1
732 1 52 ARG QG 1 56 VAL MG2 3.160 . 3.160 2.595 2.188 3.179 0.019 16 0 "[ . 1 . 2]" 1
733 1 52 ARG QD 1 55 CYS QB 3.840 . 3.840 3.557 2.989 3.856 0.016 11 0 "[ . 1 . 2]" 1
734 1 53 ALA H 1 54 SER QB 5.340 . 5.340 4.853 4.440 5.218 . 0 0 "[ . 1 . 2]" 1
735 1 54 SER H 1 54 SER QB 3.110 . 3.110 2.535 2.264 2.693 . 0 0 "[ . 1 . 2]" 1
736 1 54 SER HA 1 57 GLU QB 3.260 . 3.260 2.672 2.243 3.029 . 0 0 "[ . 1 . 2]" 1
737 1 54 SER QB 1 55 CYS H 3.490 . 3.490 2.512 2.294 3.277 . 0 0 "[ . 1 . 2]" 1
738 1 54 SER QB 1 57 GLU QB 4.940 . 4.940 4.214 3.853 4.574 . 0 0 "[ . 1 . 2]" 1
739 1 55 CYS H 1 55 CYS QB 3.140 . 3.140 2.530 2.428 2.603 . 0 0 "[ . 1 . 2]" 1
740 1 55 CYS H 1 57 GLU QB 5.180 . 5.180 4.813 4.493 5.088 . 0 0 "[ . 1 . 2]" 1
741 1 55 CYS HA 1 58 TYR QB 3.560 . 3.560 2.933 2.644 3.136 . 0 0 "[ . 1 . 2]" 1
742 1 55 CYS QB 1 56 VAL H 3.460 . 3.460 2.395 2.266 2.519 . 0 0 "[ . 1 . 2]" 1
743 1 56 VAL H 1 57 GLU QB 4.930 . 4.930 4.403 4.316 4.525 . 0 0 "[ . 1 . 2]" 1
744 1 56 VAL MG1 1 60 ASP QB 4.210 . 4.210 3.075 2.771 3.551 . 0 0 "[ . 1 . 2]" 1
745 1 57 GLU H 1 57 GLU QB 2.520 . 2.520 2.232 2.127 2.276 . 0 0 "[ . 1 . 2]" 1
746 1 57 GLU H 1 57 GLU QG 4.270 . 4.270 3.973 3.704 4.062 . 0 0 "[ . 1 . 2]" 1
747 1 57 GLU HA 1 57 GLU QG 3.110 . 3.110 2.546 2.397 2.931 . 0 0 "[ . 1 . 2]" 1
748 1 57 GLU HA 1 60 ASP QB 3.170 . 3.170 2.653 2.072 3.159 . 0 0 "[ . 1 . 2]" 1
749 1 57 GLU QB 1 58 TYR H 3.090 . 3.090 2.485 2.329 2.746 . 0 0 "[ . 1 . 2]" 1
750 1 57 GLU QG 1 58 TYR H 4.650 . 4.650 3.663 3.465 4.451 . 0 0 "[ . 1 . 2]" 1
751 1 57 GLU QG 1 58 TYR HA 5.340 . 5.340 3.765 3.452 5.351 0.011 3 0 "[ . 1 . 2]" 1
752 1 58 TYR H 1 58 TYR QB 3.020 . 3.020 2.267 2.178 2.315 . 0 0 "[ . 1 . 2]" 1
753 1 58 TYR HA 1 61 GLN QB 4.010 . 4.010 3.374 2.241 4.014 0.004 11 0 "[ . 1 . 2]" 1
754 1 58 TYR HA 1 61 GLN QG 4.530 . 4.530 3.088 2.060 3.976 . 0 0 "[ . 1 . 2]" 1
755 1 58 TYR QB 1 59 VAL H 4.010 . 4.010 2.390 2.201 2.604 . 0 0 "[ . 1 . 2]" 1
756 1 58 TYR QB 1 59 VAL QG 4.590 . 4.590 3.157 2.985 3.376 . 0 0 "[ . 1 . 2]" 1
757 1 60 ASP H 1 60 ASP QB 2.950 . 2.950 2.250 2.199 2.283 . 0 0 "[ . 1 . 2]" 1
758 1 61 GLN H 1 61 GLN QB 3.410 . 3.410 2.467 2.386 2.551 . 0 0 "[ . 1 . 2]" 1
759 1 61 GLN QB 1 62 HIS H 4.270 . 4.270 3.020 2.462 3.899 . 0 0 "[ . 1 . 2]" 1
760 1 61 GLN QB 1 62 HIS HA 4.610 . 4.610 4.096 3.826 4.623 0.013 19 0 "[ . 1 . 2]" 1
761 1 61 GLN QB 1 63 TRP H 4.940 . 4.940 4.460 4.176 4.807 . 0 0 "[ . 1 . 2]" 1
762 1 61 GLN QE 1 61 GLN QG 3.050 . 3.050 2.213 2.133 2.695 . 0 0 "[ . 1 . 2]" 1
763 1 62 HIS H 1 62 HIS QB 3.560 . 3.560 2.338 2.224 2.409 . 0 0 "[ . 1 . 2]" 1
764 1 65 ASP H 1 66 ILE QG 5.100 . 5.100 4.123 2.665 5.113 0.013 14 0 "[ . 1 . 2]" 1
765 1 66 ILE H 1 66 ILE QG 3.680 . 3.680 2.580 1.804 3.188 . 0 0 "[ . 1 . 2]" 1
766 1 66 ILE MG 1 68 PRO QG 4.630 . 4.630 2.963 2.123 4.061 . 0 0 "[ . 1 . 2]" 1
767 1 67 ARG H 1 68 PRO QG 4.450 . 4.450 4.134 3.383 4.468 0.018 4 0 "[ . 1 . 2]" 1
768 1 69 LYS HA 1 69 LYS QD 3.830 . 3.830 2.623 1.908 3.809 . 0 0 "[ . 1 . 2]" 1
769 1 69 LYS QB 1 69 LYS QD 3.040 . 3.040 2.421 2.088 2.796 . 0 0 "[ . 1 . 2]" 1
770 1 69 LYS QB 1 69 LYS QE 4.310 . 4.310 3.083 1.963 3.877 . 0 0 "[ . 1 . 2]" 1
771 1 69 LYS QD 1 69 LYS QG 2.340 . 2.340 2.055 1.997 2.099 . 0 0 "[ . 1 . 2]" 1
772 1 75 LEU HA 1 75 LEU QD 3.430 . 3.430 2.416 1.918 3.424 . 0 0 "[ . 1 . 2]" 1
773 1 75 LEU QB 1 76 ALA H 3.640 . 3.640 3.149 1.802 3.675 0.035 19 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 30
_Distance_constraint_stats_list.Viol_count 133
_Distance_constraint_stats_list.Viol_total 27.897
_Distance_constraint_stats_list.Viol_max 0.033
_Distance_constraint_stats_list.Viol_rms 0.0058
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0023
_Distance_constraint_stats_list.Viol_average_violations_only 0.0105
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 20 PHE 0.018 0.005 4 0 "[ . 1 . 2]"
1 21 PHE 0.002 0.002 5 0 "[ . 1 . 2]"
1 22 VAL 0.402 0.026 2 0 "[ . 1 . 2]"
1 23 LEU 0.031 0.008 2 0 "[ . 1 . 2]"
1 24 ILE 0.069 0.008 10 0 "[ . 1 . 2]"
1 25 ASN 0.453 0.033 4 0 "[ . 1 . 2]"
1 29 GLN 0.453 0.033 4 0 "[ . 1 . 2]"
1 31 SER 0.031 0.008 2 0 "[ . 1 . 2]"
1 33 TRP 0.002 0.002 5 0 "[ . 1 . 2]"
1 40 PRO 0.216 0.019 16 0 "[ . 1 . 2]"
1 43 TRP 0.216 0.019 16 0 "[ . 1 . 2]"
1 44 ARG 0.069 0.008 10 0 "[ . 1 . 2]"
1 46 VAL 0.008 0.003 16 0 "[ . 1 . 2]"
1 47 PHE 0.395 0.026 2 0 "[ . 1 . 2]"
1 50 ALA 0.018 0.005 4 0 "[ . 1 . 2]"
1 52 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ALA 0.012 0.005 20 0 "[ . 1 . 2]"
1 54 SER 0.192 0.017 10 0 "[ . 1 . 2]"
1 56 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 GLU 0.012 0.005 20 0 "[ . 1 . 2]"
1 58 TYR 0.192 0.017 10 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 21 PHE H 1 33 TRP O 2.000 . 2.000 1.937 1.856 2.002 0.002 5 0 "[ . 1 . 2]" 2
2 1 21 PHE N 1 33 TRP O 3.000 2.700 3.000 2.866 2.777 2.930 . 0 0 "[ . 1 . 2]" 2
3 1 21 PHE O 1 33 TRP H 2.000 . 2.000 1.894 1.830 1.994 . 0 0 "[ . 1 . 2]" 2
4 1 21 PHE O 1 33 TRP N 3.000 2.700 3.000 2.855 2.789 2.929 . 0 0 "[ . 1 . 2]" 2
5 1 20 PHE H 1 50 ALA O 2.000 . 2.000 1.934 1.799 2.005 0.005 4 0 "[ . 1 . 2]" 2
6 1 20 PHE N 1 50 ALA O 3.000 2.700 3.000 2.843 2.749 2.936 . 0 0 "[ . 1 . 2]" 2
7 1 20 PHE O 1 50 ALA H 2.000 . 2.000 1.875 1.801 1.967 . 0 0 "[ . 1 . 2]" 2
8 1 20 PHE O 1 50 ALA N 3.000 2.700 3.000 2.831 2.781 2.891 . 0 0 "[ . 1 . 2]" 2
9 1 24 ILE H 1 44 ARG O 2.000 . 2.000 1.958 1.846 2.005 0.005 19 0 "[ . 1 . 2]" 2
10 1 24 ILE N 1 44 ARG O 3.000 2.700 3.000 2.818 2.714 2.868 . 0 0 "[ . 1 . 2]" 2
11 1 24 ILE O 1 44 ARG H 2.000 . 2.000 1.979 1.900 2.008 0.008 10 0 "[ . 1 . 2]" 2
12 1 24 ILE O 1 44 ARG N 3.000 2.700 3.000 2.919 2.832 2.980 . 0 0 "[ . 1 . 2]" 2
13 1 52 ARG O 1 56 VAL H 2.000 . 2.000 1.886 1.824 1.965 . 0 0 "[ . 1 . 2]" 2
14 1 52 ARG O 1 56 VAL N 3.000 2.700 3.000 2.843 2.780 2.918 . 0 0 "[ . 1 . 2]" 2
15 1 53 ALA O 1 57 GLU H 2.000 . 2.000 1.947 1.864 2.005 0.005 20 0 "[ . 1 . 2]" 2
16 1 53 ALA O 1 57 GLU N 3.000 2.700 3.000 2.872 2.747 2.981 . 0 0 "[ . 1 . 2]" 2
17 1 54 SER O 1 58 TYR H 2.000 . 2.000 2.010 2.001 2.017 0.017 10 0 "[ . 1 . 2]" 2
18 1 54 SER O 1 58 TYR N 3.000 2.700 3.000 2.948 2.852 2.980 . 0 0 "[ . 1 . 2]" 2
19 1 40 PRO O 1 43 TRP H 2.000 . 2.000 2.011 2.003 2.019 0.019 16 0 "[ . 1 . 2]" 2
20 1 40 PRO O 1 43 TRP N 3.000 2.700 3.000 2.949 2.930 2.973 . 0 0 "[ . 1 . 2]" 2
21 1 23 LEU H 1 31 SER O 2.000 . 2.000 1.971 1.883 2.008 0.008 2 0 "[ . 1 . 2]" 2
22 1 23 LEU N 1 31 SER O 3.000 2.700 3.000 2.909 2.828 2.995 . 0 0 "[ . 1 . 2]" 2
23 1 22 VAL H 1 47 PHE O 2.000 . 2.000 1.994 1.917 2.008 0.008 15 0 "[ . 1 . 2]" 2
24 1 22 VAL N 1 47 PHE O 3.000 2.700 3.000 2.858 2.796 2.910 . 0 0 "[ . 1 . 2]" 2
25 1 25 ASN O 1 29 GLN H 2.000 . 2.000 2.023 2.010 2.033 0.033 4 0 "[ . 1 . 2]" 2
26 1 25 ASN O 1 29 GLN N 3.000 2.700 3.000 2.921 2.877 2.976 . 0 0 "[ . 1 . 2]" 2
27 1 22 VAL O 1 46 VAL H 2.000 . 2.000 1.869 1.797 1.936 0.003 17 0 "[ . 1 . 2]" 2
28 1 22 VAL O 1 46 VAL N 3.000 2.700 3.000 2.752 2.697 2.829 0.003 16 0 "[ . 1 . 2]" 2
29 1 22 VAL O 1 47 PHE H 2.000 . 2.000 2.017 2.005 2.026 0.026 2 0 "[ . 1 . 2]" 2
30 1 22 VAL O 1 47 PHE N 3.000 2.700 3.000 2.983 2.959 3.005 0.005 7 0 "[ . 1 . 2]" 2
stop_
save_
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